MODEL 1 1 1 MET 1.341 2.801 2.196 4 4 8 2 2 THR .600 1.147 .877 4 3 7 3 3 GLU .517 1.409 1.105 4 5 9 4 4 VAL .715 .741 .726 4 3 7 5 5 TYR .522 2.878 2.369 4 8 12 6 6 ASP .278 1.106 .807 4 4 8 7 7 LEU .454 1.213 .916 4 4 8 8 8 GLU .687 .816 .762 4 5 9 9 9 ILE .561 .723 .647 4 4 8 10 10 THR .299 .597 .452 4 3 7 11 11 THR .290 .690 .502 4 3 7 12 12 ASN .692 3.207 2.320 4 4 8 13 13 ALA .744 1.180 .849 4 1 5 14 14 THR .553 .971 .760 4 3 7 15 15 ASP .949 1.713 1.385 4 4 8 16 16 PHE 1.060 3.431 2.811 4 7 11 17 17 PRO .973 1.030 .998 4 3 7 18 18 MET .655 1.581 1.210 4 4 8 19 19 GLU .372 1.167 .905 4 5 9 20 20 LYS .365 2.411 1.813 4 5 9 21 21 LYS .466 .826 .690 4 5 9 22 22 TYR .587 1.336 1.143 4 8 12 23 23 PRO .690 .624 .663 4 3 7 24 24 ALA .640 .780 .671 4 1 5 25 25 GLY .504 .000 .504 4 0 4 26 26 MET .726 1.810 1.379 4 4 8 27 27 SER .516 .530 .521 4 2 6 28 28 LEU .410 .732 .593 4 4 8 29 29 ASN .250 .686 .516 4 4 8 30 30 ASP .376 1.124 .838 4 4 8 31 31 LEU .412 .752 .606 4 4 8 32 32 LYS .497 .533 .517 4 5 9 33 33 LYS .519 .553 .538 4 5 9 34 34 LYS .499 1.289 1.017 4 5 9 35 35 LEU .588 .846 .729 4 4 8 36 36 GLU .855 1.965 1.572 4 5 9 37 37 LEU 1.106 .940 1.027 4 4 8 38 38 VAL 1.317 1.257 1.292 4 3 7 39 39 VAL 1.453 1.432 1.444 4 3 7 40 40 GLY 1.433 .000 1.433 4 0 4 41 41 THR 1.311 1.317 1.314 4 3 7 42 42 THR 1.128 1.633 1.367 4 3 7 43 43 VAL .883 1.076 .970 4 3 7 44 44 ASP 1.052 1.376 1.225 4 4 8 45 45 SER .913 1.310 1.062 4 2 6 46 46 MET .643 1.455 1.125 4 4 8 47 47 ARG .432 2.048 1.655 4 7 11 48 48 ILE .365 .718 .570 4 4 8 49 49 GLN .325 .981 .762 4 5 9 50 50 LEU .348 1.346 .983 4 4 8 51 51 PHE .602 .585 .591 4 7 11 52 52 ASP 1.152 1.147 1.149 4 4 8 53 53 GLY 2.151 .000 2.151 4 0 4 54 54 ASP 1.730 1.514 1.626 4 4 8 55 55 ASP 1.192 1.100 1.147 4 4 8 56 56 GLN 1.047 1.497 1.316 4 5 9 57 57 LEU .831 .685 .761 4 4 8 58 58 LYS .569 1.633 1.275 4 5 9 59 59 GLY .321 .000 .321 4 0 4 60 60 GLU .489 .945 .776 4 5 9 61 61 LEU .816 .898 .858 4 4 8 62 62 THR 1.046 1.782 1.409 4 3 7 63 63 ASP 1.418 1.497 1.458 4 4 8 64 64 GLY .545 .000 .545 4 0 4 65 65 ALA .927 .655 .879 4 1 5 66 66 LYS .958 2.211 1.767 4 5 9 67 67 SER .693 .979 .800 4 2 6 68 68 LEU .583 .878 .745 4 4 8 69 69 LYS .771 1.036 .928 4 5 9 70 70 ASP .804 1.148 .991 4 4 8 71 71 LEU .687 .412 .567 4 4 8 72 72 GLY .858 .000 .858 4 0 4 73 73 VAL .690 .330 .565 4 3 7 74 74 ARG .529 2.247 1.821 4 7 11 75 75 ASP .505 1.285 .977 4 4 8 76 76 GLY .698 .000 .698 4 0 4 77 77 TYR .342 .869 .736 4 8 12 78 78 ARG .466 2.274 1.835 4 7 11 79 79 ILE .390 .730 .585 4 4 8 80 80 HIS .281 .243 .259 4 6 10 81 81 ALA .318 .456 .350 4 1 5 82 82 VAL .300 .483 .389 4 3 7 83 83 ASP .617 .994 .828 4 4 8 84 84 VAL .427 1.078 .776 4 3 7 85 85 THR .659 1.226 .945 4 3 7 86 86 GLY 1.175 .000 1.175 4 0 4 87 87 GLY 1.709 .000 1.709 4 0 4 88 88 ASN 1.902 1.805 1.854 4 4 8 89 89 GLU 3.815 2.548 3.174 4 5 9 90 90 ASP 5.102 5.967 5.613 3 4 7 ENDMDL Model RMS deviations: 1.0325 1.6375 1.3581 359 334 693 MODEL 2 1 1 MET 3.764 4.362 4.074 4 4 8 2 2 THR 2.526 3.212 2.840 4 3 7 3 3 GLU 1.140 .851 .990 4 5 9 4 4 VAL .484 .648 .560 4 3 7 5 5 TYR .283 3.072 2.513 4 8 12 6 6 ASP .431 1.470 1.083 4 4 8 7 7 LEU .425 1.041 .795 4 4 8 8 8 GLU .331 .537 .457 4 5 9 9 9 ILE .441 .550 .498 4 4 8 10 10 THR .380 .601 .487 4 3 7 11 11 THR .512 .530 .519 4 3 7 12 12 ASN .525 1.543 1.153 4 4 8 13 13 ALA .955 .687 .908 4 1 5 14 14 THR .765 .882 .817 4 3 7 15 15 ASP 1.015 2.068 1.629 4 4 8 16 16 PHE .804 2.345 1.932 4 7 11 17 17 PRO .810 .407 .668 4 3 7 18 18 MET 1.116 3.047 2.294 4 4 8 19 19 GLU 1.344 1.331 1.337 4 5 9 20 20 LYS .662 .863 .780 4 5 9 21 21 LYS .361 1.465 1.118 4 5 9 22 22 TYR .370 1.299 1.082 4 8 12 23 23 PRO .455 .817 .636 4 3 7 24 24 ALA .230 .613 .343 4 1 5 25 25 GLY .439 .000 .439 4 0 4 26 26 MET .421 2.333 1.677 4 4 8 27 27 SER .545 .588 .560 4 2 6 28 28 LEU .549 .734 .648 4 4 8 29 29 ASN .357 .705 .559 4 4 8 30 30 ASP .367 .818 .634 4 4 8 31 31 LEU .586 1.323 1.023 4 4 8 32 32 LYS .366 .700 .576 4 5 9 33 33 LYS .560 1.990 1.529 4 5 9 34 34 LYS .839 1.301 1.120 4 5 9 35 35 LEU .866 .695 .785 4 4 8 36 36 GLU .938 1.944 1.578 4 5 9 37 37 LEU 1.137 1.243 1.192 4 4 8 38 38 VAL 1.057 1.035 1.048 4 3 7 39 39 VAL 1.076 .867 .992 4 3 7 40 40 GLY 1.085 .000 1.085 4 0 4 41 41 THR .864 .847 .857 4 3 7 42 42 THR .772 1.203 .980 4 3 7 43 43 VAL .928 1.292 1.099 4 3 7 44 44 ASP 1.049 1.692 1.408 4 4 8 45 45 SER .533 .499 .522 4 2 6 46 46 MET .433 1.702 1.242 4 4 8 47 47 ARG .418 1.356 1.110 4 7 11 48 48 ILE .478 .886 .712 4 4 8 49 49 GLN .252 1.224 .927 4 5 9 50 50 LEU .400 .784 .622 4 4 8 51 51 PHE .587 .724 .678 4 7 11 52 52 ASP 1.284 3.012 2.315 4 4 8 53 53 GLY 1.583 .000 1.583 4 0 4 54 54 ASP 1.530 1.644 1.588 4 4 8 55 55 ASP .963 1.693 1.377 4 4 8 56 56 GLN .613 2.096 1.615 4 5 9 57 57 LEU .629 1.072 .879 4 4 8 58 58 LYS .300 1.671 1.262 4 5 9 59 59 GLY .355 .000 .355 4 0 4 60 60 GLU .533 1.239 .990 4 5 9 61 61 LEU 1.108 1.183 1.146 4 4 8 62 62 THR .655 1.379 1.030 4 3 7 63 63 ASP .694 1.568 1.213 4 4 8 64 64 GLY .742 .000 .742 4 0 4 65 65 ALA .989 1.157 1.025 4 1 5 66 66 LYS .978 1.432 1.251 4 5 9 67 67 SER .586 .728 .637 4 2 6 68 68 LEU .321 .391 .358 4 4 8 69 69 LYS .212 1.056 .800 4 5 9 70 70 ASP .466 1.041 .807 4 4 8 71 71 LEU .476 .533 .505 4 4 8 72 72 GLY .526 .000 .526 4 0 4 73 73 VAL .490 .335 .431 4 3 7 74 74 ARG .306 1.758 1.414 4 7 11 75 75 ASP .334 1.510 1.093 4 4 8 76 76 GLY .204 .000 .204 4 0 4 77 77 TYR .083 .955 .781 4 8 12 78 78 ARG .173 1.368 1.096 4 7 11 79 79 ILE .271 1.010 .739 4 4 8 80 80 HIS .284 .277 .280 4 6 10 81 81 ALA .195 .202 .197 4 1 5 82 82 VAL .106 .085 .097 4 3 7 83 83 ASP .594 1.441 1.102 4 4 8 84 84 VAL 1.100 1.289 1.185 4 3 7 85 85 THR 1.763 1.900 1.823 4 3 7 86 86 GLY 1.786 .000 1.786 4 0 4 87 87 GLY 1.469 .000 1.469 4 0 4 88 88 ASN 1.660 2.010 1.843 4 4 8 89 89 GLU 2.448 1.275 1.888 4 5 9 90 90 ASP 3.744 4.881 4.430 3 4 7 ENDMDL Model RMS deviations: 1.0000 1.6101 1.3295 359 334 693 MODEL 3 1 1 MET 1.876 3.029 2.519 4 4 8 2 2 THR 1.168 2.201 1.690 4 3 7 3 3 GLU .761 1.565 1.272 4 5 9 4 4 VAL .463 .576 .514 4 3 7 5 5 TYR .354 3.359 2.750 4 8 12 6 6 ASP .286 1.310 .948 4 4 8 7 7 LEU .441 1.221 .918 4 4 8 8 8 GLU .282 .993 .763 4 5 9 9 9 ILE .161 .413 .313 4 4 8 10 10 THR .205 .255 .228 4 3 7 11 11 THR .219 .366 .291 4 3 7 12 12 ASN .452 1.304 .976 4 4 8 13 13 ALA .762 .943 .801 4 1 5 14 14 THR .705 .724 .713 4 3 7 15 15 ASP .944 2.008 1.569 4 4 8 16 16 PHE .712 1.806 1.503 4 7 11 17 17 PRO .618 .877 .740 4 3 7 18 18 MET .474 2.982 2.135 4 4 8 19 19 GLU .537 2.241 1.708 4 5 9 20 20 LYS .471 1.831 1.400 4 5 9 21 21 LYS .527 1.421 1.116 4 5 9 22 22 TYR .520 1.339 1.134 4 8 12 23 23 PRO .533 .743 .632 4 3 7 24 24 ALA .432 .502 .447 4 1 5 25 25 GLY .368 .000 .368 4 0 4 26 26 MET .311 1.073 .790 4 4 8 27 27 SER .414 .530 .456 4 2 6 28 28 LEU .632 1.367 1.065 4 4 8 29 29 ASN .554 1.743 1.293 4 4 8 30 30 ASP .645 1.121 .914 4 4 8 31 31 LEU .580 1.204 .945 4 4 8 32 32 LYS .583 .532 .555 4 5 9 33 33 LYS .540 .912 .769 4 5 9 34 34 LYS .685 2.142 1.661 4 5 9 35 35 LEU .628 .596 .612 4 4 8 36 36 GLU .401 1.505 1.153 4 5 9 37 37 LEU .493 .426 .461 4 4 8 38 38 VAL .801 .995 .889 4 3 7 39 39 VAL .651 .706 .675 4 3 7 40 40 GLY .398 .000 .398 4 0 4 41 41 THR .314 .328 .320 4 3 7 42 42 THR .406 .726 .566 4 3 7 43 43 VAL .301 .890 .626 4 3 7 44 44 ASP .427 .716 .589 4 4 8 45 45 SER .288 .557 .398 4 2 6 46 46 MET .226 1.453 1.040 4 4 8 47 47 ARG .350 1.835 1.479 4 7 11 48 48 ILE .318 .496 .417 4 4 8 49 49 GLN .164 .873 .660 4 5 9 50 50 LEU .218 .362 .299 4 4 8 51 51 PHE .193 .582 .479 4 7 11 52 52 ASP .933 2.276 1.739 4 4 8 53 53 GLY 1.863 .000 1.863 4 0 4 54 54 ASP 1.823 2.777 2.349 4 4 8 55 55 ASP 1.173 1.519 1.357 4 4 8 56 56 GLN .655 1.435 1.156 4 5 9 57 57 LEU .713 1.046 .895 4 4 8 58 58 LYS .751 1.372 1.139 4 5 9 59 59 GLY .681 .000 .681 4 0 4 60 60 GLU .590 1.041 .870 4 5 9 61 61 LEU .465 1.612 1.186 4 4 8 62 62 THR 1.359 1.673 1.502 4 3 7 63 63 ASP 1.114 1.413 1.273 4 4 8 64 64 GLY .869 .000 .869 4 0 4 65 65 ALA .722 .765 .731 4 1 5 66 66 LYS .856 1.437 1.214 4 5 9 67 67 SER .554 .998 .733 4 2 6 68 68 LEU .315 .767 .586 4 4 8 69 69 LYS .555 2.020 1.551 4 5 9 70 70 ASP .747 1.564 1.226 4 4 8 71 71 LEU .519 .486 .503 4 4 8 72 72 GLY .506 .000 .506 4 0 4 73 73 VAL .541 .267 .445 4 3 7 74 74 ARG .252 2.451 1.961 4 7 11 75 75 ASP .292 .794 .598 4 4 8 76 76 GLY .370 .000 .370 4 0 4 77 77 TYR .332 1.145 .954 4 8 12 78 78 ARG .192 1.221 .981 4 7 11 79 79 ILE .232 .797 .587 4 4 8 80 80 HIS .218 .236 .229 4 6 10 81 81 ALA .410 .453 .419 4 1 5 82 82 VAL .403 .517 .456 4 3 7 83 83 ASP .288 1.328 .961 4 4 8 84 84 VAL .226 .637 .450 4 3 7 85 85 THR .562 .936 .746 4 3 7 86 86 GLY 1.103 .000 1.103 4 0 4 87 87 GLY 1.730 .000 1.730 4 0 4 88 88 ASN 1.585 1.813 1.703 4 4 8 89 89 GLU 3.272 1.511 2.455 4 5 9 90 90 ASP 5.240 4.328 4.741 3 4 7 ENDMDL Model RMS deviations: .9152 1.5479 1.2604 359 334 693 MODEL 4 1 1 MET 1.900 4.719 3.597 4 4 8 2 2 THR 1.595 2.724 2.152 4 3 7 3 3 GLU .545 1.598 1.245 4 5 9 4 4 VAL .650 .758 .699 4 3 7 5 5 TYR .542 2.889 2.380 4 8 12 6 6 ASP .642 1.433 1.110 4 4 8 7 7 LEU .847 1.391 1.151 4 4 8 8 8 GLU .487 1.639 1.264 4 5 9 9 9 ILE .349 .861 .657 4 4 8 10 10 THR .193 .269 .229 4 3 7 11 11 THR .296 1.348 .911 4 3 7 12 12 ASN .757 1.124 .958 4 4 8 13 13 ALA .856 1.459 1.006 4 1 5 14 14 THR 1.101 1.501 1.288 4 3 7 15 15 ASP 1.570 3.650 2.810 4 4 8 16 16 PHE 1.310 3.396 2.822 4 7 11 17 17 PRO 1.128 1.750 1.428 4 3 7 18 18 MET .448 1.978 1.434 4 4 8 19 19 GLU .546 1.701 1.319 4 5 9 20 20 LYS .737 2.623 2.016 4 5 9 21 21 LYS .588 .886 .768 4 5 9 22 22 TYR .536 .803 .725 4 8 12 23 23 PRO .484 .551 .514 4 3 7 24 24 ALA .494 1.021 .635 4 1 5 25 25 GLY .386 .000 .386 4 0 4 26 26 MET .273 1.052 .768 4 4 8 27 27 SER .308 .958 .608 4 2 6 28 28 LEU .313 .718 .554 4 4 8 29 29 ASN .570 .904 .755 4 4 8 30 30 ASP .497 .959 .764 4 4 8 31 31 LEU .514 1.153 .893 4 4 8 32 32 LYS .576 1.047 .869 4 5 9 33 33 LYS .580 1.411 1.120 4 5 9 34 34 LYS .519 4.211 3.158 4 5 9 35 35 LEU .548 .451 .502 4 4 8 36 36 GLU .533 1.659 1.287 4 5 9 37 37 LEU .487 .553 .521 4 4 8 38 38 VAL .347 .278 .319 4 3 7 39 39 VAL .496 .720 .602 4 3 7 40 40 GLY .739 .000 .739 4 0 4 41 41 THR .805 1.201 .994 4 3 7 42 42 THR .829 1.157 .983 4 3 7 43 43 VAL .720 .938 .820 4 3 7 44 44 ASP .915 1.600 1.303 4 4 8 45 45 SER .495 .299 .439 4 2 6 46 46 MET .723 1.393 1.110 4 4 8 47 47 ARG .920 1.632 1.415 4 7 11 48 48 ILE .889 1.098 .999 4 4 8 49 49 GLN .670 1.908 1.491 4 5 9 50 50 LEU .499 .513 .506 4 4 8 51 51 PHE .538 1.017 .874 4 7 11 52 52 ASP 1.837 1.964 1.902 4 4 8 53 53 GLY 1.911 .000 1.911 4 0 4 54 54 ASP 2.027 5.241 3.973 4 4 8 55 55 ASP 1.888 2.731 2.348 4 4 8 56 56 GLN .733 2.657 2.040 4 5 9 57 57 LEU 1.042 1.137 1.091 4 4 8 58 58 LYS 1.200 1.650 1.467 4 5 9 59 59 GLY 1.257 .000 1.257 4 0 4 60 60 GLU .960 1.074 1.025 4 5 9 61 61 LEU .752 1.528 1.204 4 4 8 62 62 THR .521 .829 .670 4 3 7 63 63 ASP .598 .864 .743 4 4 8 64 64 GLY .325 .000 .325 4 0 4 65 65 ALA .418 .333 .402 4 1 5 66 66 LYS .402 2.296 1.732 4 5 9 67 67 SER .385 .519 .434 4 2 6 68 68 LEU .359 .827 .638 4 4 8 69 69 LYS .211 .891 .679 4 5 9 70 70 ASP .254 .847 .625 4 4 8 71 71 LEU .245 .292 .269 4 4 8 72 72 GLY .374 .000 .374 4 0 4 73 73 VAL .445 .348 .407 4 3 7 74 74 ARG .468 2.241 1.810 4 7 11 75 75 ASP .653 .959 .820 4 4 8 76 76 GLY .644 .000 .644 4 0 4 77 77 TYR .371 .983 .831 4 8 12 78 78 ARG .189 .934 .754 4 7 11 79 79 ILE .183 .373 .294 4 4 8 80 80 HIS .389 .443 .422 4 6 10 81 81 ALA .230 .415 .277 4 1 5 82 82 VAL .463 .701 .577 4 3 7 83 83 ASP 1.021 1.470 1.266 4 4 8 84 84 VAL 1.249 2.035 1.633 4 3 7 85 85 THR 1.771 2.344 2.036 4 3 7 86 86 GLY 1.573 .000 1.573 4 0 4 87 87 GLY 1.706 .000 1.706 4 0 4 88 88 ASN 1.409 3.053 2.378 4 4 8 89 89 GLU 1.002 1.895 1.562 4 5 9 90 90 ASP 2.417 3.590 3.141 3 4 7 ENDMDL Model RMS deviations: .8943 1.8570 1.4409 359 334 693 MODEL 5 1 1 MET 2.670 5.080 4.058 4 4 8 2 2 THR 1.744 2.706 2.208 4 3 7 3 3 GLU .612 1.954 1.513 4 5 9 4 4 VAL .202 .348 .274 4 3 7 5 5 TYR .197 2.177 1.781 4 8 12 6 6 ASP .236 2.122 1.510 4 4 8 7 7 LEU .312 1.147 .841 4 4 8 8 8 GLU .318 .784 .621 4 5 9 9 9 ILE .290 .380 .338 4 4 8 10 10 THR .434 .468 .449 4 3 7 11 11 THR .470 .508 .487 4 3 7 12 12 ASN .649 3.035 2.195 4 4 8 13 13 ALA .441 .483 .450 4 1 5 14 14 THR .463 .385 .431 4 3 7 15 15 ASP .488 1.634 1.206 4 4 8 16 16 PHE .485 3.028 2.433 4 7 11 17 17 PRO .380 .341 .364 4 3 7 18 18 MET .267 1.069 .779 4 4 8 19 19 GLU .397 1.963 1.487 4 5 9 20 20 LYS .425 1.886 1.434 4 5 9 21 21 LYS .372 2.328 1.753 4 5 9 22 22 TYR .494 .954 .830 4 8 12 23 23 PRO .430 .386 .412 4 3 7 24 24 ALA .491 .720 .544 4 1 5 25 25 GLY .202 .000 .202 4 0 4 26 26 MET .304 1.583 1.140 4 4 8 27 27 SER .327 .399 .353 4 2 6 28 28 LEU .539 1.214 .939 4 4 8 29 29 ASN .877 1.385 1.159 4 4 8 30 30 ASP .850 1.161 1.017 4 4 8 31 31 LEU .717 .713 .715 4 4 8 32 32 LYS .982 1.723 1.441 4 5 9 33 33 LYS 1.257 2.503 2.045 4 5 9 34 34 LYS 1.167 1.329 1.260 4 5 9 35 35 LEU 1.116 .894 1.011 4 4 8 36 36 GLU 1.039 1.773 1.492 4 5 9 37 37 LEU 1.019 1.276 1.155 4 4 8 38 38 VAL .909 1.043 .969 4 3 7 39 39 VAL .850 .969 .903 4 3 7 40 40 GLY .990 .000 .990 4 0 4 41 41 THR .768 .904 .829 4 3 7 42 42 THR .721 .804 .758 4 3 7 43 43 VAL .960 1.292 1.114 4 3 7 44 44 ASP .875 1.264 1.087 4 4 8 45 45 SER .449 .520 .474 4 2 6 46 46 MET .799 2.265 1.698 4 4 8 47 47 ARG .412 2.426 1.951 4 7 11 48 48 ILE .402 .646 .538 4 4 8 49 49 GLN .344 .882 .696 4 5 9 50 50 LEU .386 .735 .587 4 4 8 51 51 PHE .654 .679 .670 4 7 11 52 52 ASP 1.404 2.601 2.090 4 4 8 53 53 GLY 2.264 .000 2.264 4 0 4 54 54 ASP 2.449 2.304 2.378 4 4 8 55 55 ASP 1.592 2.606 2.160 4 4 8 56 56 GLN .956 3.011 2.333 4 5 9 57 57 LEU .626 .637 .631 4 4 8 58 58 LYS 1.228 1.715 1.518 4 5 9 59 59 GLY .988 .000 .988 4 0 4 60 60 GLU 1.038 1.037 1.037 4 5 9 61 61 LEU 1.019 1.560 1.318 4 4 8 62 62 THR 1.181 2.460 1.841 4 3 7 63 63 ASP .508 .916 .741 4 4 8 64 64 GLY .617 .000 .617 4 0 4 65 65 ALA .851 .919 .865 4 1 5 66 66 LYS .768 .746 .756 4 5 9 67 67 SER .716 1.296 .949 4 2 6 68 68 LEU .675 .718 .696 4 4 8 69 69 LYS .797 1.050 .946 4 5 9 70 70 ASP .767 1.490 1.185 4 4 8 71 71 LEU .391 .356 .374 4 4 8 72 72 GLY .575 .000 .575 4 0 4 73 73 VAL .504 .671 .581 4 3 7 74 74 ARG .427 3.144 2.522 4 7 11 75 75 ASP .449 1.159 .879 4 4 8 76 76 GLY .557 .000 .557 4 0 4 77 77 TYR .658 1.032 .924 4 8 12 78 78 ARG .438 1.268 1.045 4 7 11 79 79 ILE .269 .391 .335 4 4 8 80 80 HIS .255 .379 .335 4 6 10 81 81 ALA .261 .361 .284 4 1 5 82 82 VAL .369 .421 .392 4 3 7 83 83 ASP .644 1.270 1.007 4 4 8 84 84 VAL 1.228 1.716 1.457 4 3 7 85 85 THR 1.460 1.293 1.391 4 3 7 86 86 GLY 2.563 .000 2.563 4 0 4 87 87 GLY 2.176 .000 2.176 4 0 4 88 88 ASN 1.822 1.700 1.762 4 4 8 89 89 GLU 2.624 3.266 2.998 4 5 9 90 90 ASP 4.044 4.936 4.575 3 4 7 ENDMDL Model RMS deviations: 1.0467 1.8029 1.4609 359 334 693 MODEL 6 1 1 MET 1.062 2.115 1.673 4 4 8 2 2 THR .651 1.444 1.066 4 3 7 3 3 GLU .388 1.203 .933 4 5 9 4 4 VAL .415 .581 .493 4 3 7 5 5 TYR .317 2.768 2.268 4 8 12 6 6 ASP .325 2.209 1.579 4 4 8 7 7 LEU .545 1.138 .892 4 4 8 8 8 GLU .339 1.241 .952 4 5 9 9 9 ILE .296 .359 .329 4 4 8 10 10 THR .352 1.303 .894 4 3 7 11 11 THR .334 .591 .462 4 3 7 12 12 ASN .776 1.384 1.122 4 4 8 13 13 ALA .811 1.246 .915 4 1 5 14 14 THR .607 1.027 .814 4 3 7 15 15 ASP .788 1.862 1.429 4 4 8 16 16 PHE .530 1.985 1.615 4 7 11 17 17 PRO .597 .983 .786 4 3 7 18 18 MET .346 1.948 1.399 4 4 8 19 19 GLU .561 1.131 .922 4 5 9 20 20 LYS .237 1.299 .981 4 5 9 21 21 LYS .251 .959 .734 4 5 9 22 22 TYR .272 .798 .670 4 8 12 23 23 PRO .323 .296 .311 4 3 7 24 24 ALA .462 .554 .482 4 1 5 25 25 GLY .693 .000 .693 4 0 4 26 26 MET .829 1.886 1.457 4 4 8 27 27 SER .889 .912 .897 4 2 6 28 28 LEU .826 1.716 1.347 4 4 8 29 29 ASN .528 .700 .620 4 4 8 30 30 ASP .405 .916 .708 4 4 8 31 31 LEU .381 .798 .625 4 4 8 32 32 LYS .325 1.356 1.034 4 5 9 33 33 LYS .294 1.288 .980 4 5 9 34 34 LYS .303 1.399 1.062 4 5 9 35 35 LEU .277 .582 .456 4 4 8 36 36 GLU .460 1.753 1.342 4 5 9 37 37 LEU .558 .595 .577 4 4 8 38 38 VAL .255 .485 .371 4 3 7 39 39 VAL .342 .621 .482 4 3 7 40 40 GLY .639 .000 .639 4 0 4 41 41 THR .717 1.377 1.052 4 3 7 42 42 THR .679 1.255 .969 4 3 7 43 43 VAL 1.347 1.507 1.418 4 3 7 44 44 ASP 1.633 3.191 2.535 4 4 8 45 45 SER .743 1.058 .861 4 2 6 46 46 MET 1.149 2.422 1.896 4 4 8 47 47 ARG .358 1.951 1.571 4 7 11 48 48 ILE .678 1.942 1.454 4 4 8 49 49 GLN .787 1.032 .931 4 5 9 50 50 LEU .931 .790 .863 4 4 8 51 51 PHE .997 1.287 1.190 4 7 11 52 52 ASP 2.054 2.173 2.114 4 4 8 53 53 GLY 3.340 .000 3.340 4 0 4 54 54 ASP 1.797 3.528 2.800 4 4 8 55 55 ASP 1.828 2.792 2.360 4 4 8 56 56 GLN 1.824 2.307 2.106 4 5 9 57 57 LEU 1.970 2.302 2.142 4 4 8 58 58 LYS 1.943 2.822 2.470 4 5 9 59 59 GLY 1.647 .000 1.647 4 0 4 60 60 GLU .686 2.015 1.570 4 5 9 61 61 LEU 1.213 1.435 1.329 4 4 8 62 62 THR 1.463 3.292 2.423 4 3 7 63 63 ASP .760 1.577 1.238 4 4 8 64 64 GLY .712 .000 .712 4 0 4 65 65 ALA 1.110 1.255 1.140 4 1 5 66 66 LYS .472 .738 .634 4 5 9 67 67 SER .466 .577 .506 4 2 6 68 68 LEU .523 1.729 1.277 4 4 8 69 69 LYS .679 1.328 1.089 4 5 9 70 70 ASP .754 1.384 1.114 4 4 8 71 71 LEU .648 .410 .542 4 4 8 72 72 GLY .630 .000 .630 4 0 4 73 73 VAL .339 .343 .341 4 3 7 74 74 ARG .726 2.780 2.260 4 7 11 75 75 ASP .675 1.535 1.186 4 4 8 76 76 GLY .555 .000 .555 4 0 4 77 77 TYR .564 1.288 1.101 4 8 12 78 78 ARG .568 1.492 1.239 4 7 11 79 79 ILE .468 .406 .438 4 4 8 80 80 HIS .570 .738 .676 4 6 10 81 81 ALA .832 .790 .824 4 1 5 82 82 VAL .876 1.147 1.001 4 3 7 83 83 ASP .782 1.322 1.086 4 4 8 84 84 VAL 1.207 1.555 1.367 4 3 7 85 85 THR 1.779 1.783 1.781 4 3 7 86 86 GLY 2.051 .000 2.051 4 0 4 87 87 GLY 2.039 .000 2.039 4 0 4 88 88 ASN 1.528 1.555 1.542 4 4 8 89 89 GLU 3.378 2.903 3.123 4 5 9 90 90 ASP 4.931 5.164 5.065 3 4 7 ENDMDL Model RMS deviations: 1.1368 1.7590 1.4699 359 334 693 MODEL 7 1 1 MET 3.359 2.087 2.796 4 4 8 2 2 THR 2.130 3.385 2.739 4 3 7 3 3 GLU .828 1.428 1.199 4 5 9 4 4 VAL .803 .819 .810 4 3 7 5 5 TYR .957 3.098 2.589 4 8 12 6 6 ASP .720 2.745 2.007 4 4 8 7 7 LEU .496 1.099 .853 4 4 8 8 8 GLU .555 .934 .788 4 5 9 9 9 ILE .658 .665 .662 4 4 8 10 10 THR .730 .759 .743 4 3 7 11 11 THR .482 1.767 1.213 4 3 7 12 12 ASN .524 .690 .612 4 4 8 13 13 ALA 1.088 .999 1.071 4 1 5 14 14 THR .743 2.622 1.806 4 3 7 15 15 ASP .580 1.388 1.064 4 4 8 16 16 PHE .452 2.001 1.619 4 7 11 17 17 PRO .602 .753 .671 4 3 7 18 18 MET .788 2.137 1.610 4 4 8 19 19 GLU .645 2.236 1.721 4 5 9 20 20 LYS .765 1.628 1.316 4 5 9 21 21 LYS 1.005 .953 .976 4 5 9 22 22 TYR .909 1.295 1.181 4 8 12 23 23 PRO .729 .627 .687 4 3 7 24 24 ALA .755 1.149 .849 4 1 5 25 25 GLY .414 .000 .414 4 0 4 26 26 MET .301 .889 .664 4 4 8 27 27 SER .199 .228 .209 4 2 6 28 28 LEU .138 .611 .443 4 4 8 29 29 ASN .242 .455 .364 4 4 8 30 30 ASP .274 .872 .646 4 4 8 31 31 LEU .219 .603 .454 4 4 8 32 32 LYS .328 1.633 1.237 4 5 9 33 33 LYS .276 .803 .626 4 5 9 34 34 LYS .340 1.251 .959 4 5 9 35 35 LEU .353 .431 .394 4 4 8 36 36 GLU .397 1.523 1.166 4 5 9 37 37 LEU .625 .720 .674 4 4 8 38 38 VAL .707 .733 .718 4 3 7 39 39 VAL .746 .613 .692 4 3 7 40 40 GLY .808 .000 .808 4 0 4 41 41 THR .662 1.183 .922 4 3 7 42 42 THR .550 .659 .599 4 3 7 43 43 VAL .702 .789 .741 4 3 7 44 44 ASP 1.020 1.520 1.294 4 4 8 45 45 SER 1.070 .980 1.040 4 2 6 46 46 MET 1.098 2.552 1.965 4 4 8 47 47 ARG .500 1.618 1.325 4 7 11 48 48 ILE .573 .725 .654 4 4 8 49 49 GLN .544 .782 .687 4 5 9 50 50 LEU .580 .717 .652 4 4 8 51 51 PHE .507 .688 .628 4 7 11 52 52 ASP .610 1.730 1.297 4 4 8 53 53 GLY .693 .000 .693 4 0 4 54 54 ASP 1.740 1.980 1.864 4 4 8 55 55 ASP 1.804 2.766 2.335 4 4 8 56 56 GLN 1.223 1.513 1.392 4 5 9 57 57 LEU .652 .565 .610 4 4 8 58 58 LYS 1.018 2.703 2.126 4 5 9 59 59 GLY .631 .000 .631 4 0 4 60 60 GLU .419 1.243 .968 4 5 9 61 61 LEU .353 1.004 .753 4 4 8 62 62 THR .900 1.395 1.139 4 3 7 63 63 ASP .572 .998 .814 4 4 8 64 64 GLY .386 .000 .386 4 0 4 65 65 ALA .349 .374 .354 4 1 5 66 66 LYS .294 .883 .687 4 5 9 67 67 SER .256 .417 .319 4 2 6 68 68 LEU .431 .716 .591 4 4 8 69 69 LYS .724 1.420 1.164 4 5 9 70 70 ASP .650 1.002 .845 4 4 8 71 71 LEU .478 .455 .466 4 4 8 72 72 GLY .737 .000 .737 4 0 4 73 73 VAL .808 .553 .710 4 3 7 74 74 ARG .957 3.444 2.808 4 7 11 75 75 ASP .830 1.685 1.328 4 4 8 76 76 GLY .338 .000 .338 4 0 4 77 77 TYR .260 1.076 .892 4 8 12 78 78 ARG .583 1.479 1.231 4 7 11 79 79 ILE .723 .687 .705 4 4 8 80 80 HIS .572 .560 .565 4 6 10 81 81 ALA .407 .579 .447 4 1 5 82 82 VAL .442 .691 .562 4 3 7 83 83 ASP .857 1.401 1.161 4 4 8 84 84 VAL .390 .648 .516 4 3 7 85 85 THR .715 1.537 1.142 4 3 7 86 86 GLY 1.186 .000 1.186 4 0 4 87 87 GLY .893 .000 .893 4 0 4 88 88 ASN 1.762 1.255 1.530 4 4 8 89 89 GLU 3.057 2.437 2.730 4 5 9 90 90 ASP 4.890 5.306 5.132 3 4 7 ENDMDL Model RMS deviations: .9976 1.6385 1.3452 359 334 693 MODEL 8 1 1 MET 3.696 5.967 4.963 4 4 8 2 2 THR 2.091 3.349 2.703 4 3 7 3 3 GLU .646 3.712 2.800 4 5 9 4 4 VAL .404 .354 .383 4 3 7 5 5 TYR .405 2.830 2.323 4 8 12 6 6 ASP .237 1.779 1.269 4 4 8 7 7 LEU .173 .888 .640 4 4 8 8 8 GLU .352 2.134 1.608 4 5 9 9 9 ILE .783 .771 .777 4 4 8 10 10 THR 1.058 1.832 1.441 4 3 7 11 11 THR .865 .992 .922 4 3 7 12 12 ASN .606 1.119 .900 4 4 8 13 13 ALA .509 .761 .568 4 1 5 14 14 THR .269 .409 .336 4 3 7 15 15 ASP .133 1.218 .866 4 4 8 16 16 PHE .240 1.649 1.324 4 7 11 17 17 PRO .489 1.009 .757 4 3 7 18 18 MET .340 2.019 1.447 4 4 8 19 19 GLU .310 1.518 1.150 4 5 9 20 20 LYS .408 .917 .736 4 5 9 21 21 LYS .413 .802 .658 4 5 9 22 22 TYR .329 1.367 1.132 4 8 12 23 23 PRO .206 .242 .222 4 3 7 24 24 ALA .204 .430 .265 4 1 5 25 25 GLY .186 .000 .186 4 0 4 26 26 MET .247 1.087 .788 4 4 8 27 27 SER .260 1.009 .620 4 2 6 28 28 LEU .235 1.052 .762 4 4 8 29 29 ASN .165 1.491 1.060 4 4 8 30 30 ASP .105 .766 .547 4 4 8 31 31 LEU .280 .675 .517 4 4 8 32 32 LYS .449 .861 .708 4 5 9 33 33 LYS .331 .860 .678 4 5 9 34 34 LYS .172 1.152 .866 4 5 9 35 35 LEU .553 .877 .734 4 4 8 36 36 GLU .899 2.304 1.819 4 5 9 37 37 LEU .794 .879 .838 4 4 8 38 38 VAL 1.323 1.325 1.324 4 3 7 39 39 VAL 1.351 1.509 1.421 4 3 7 40 40 GLY .951 .000 .951 4 0 4 41 41 THR .886 1.373 1.121 4 3 7 42 42 THR .935 1.627 1.278 4 3 7 43 43 VAL .658 1.290 .980 4 3 7 44 44 ASP .376 .918 .701 4 4 8 45 45 SER .188 .473 .313 4 2 6 46 46 MET .322 1.864 1.337 4 4 8 47 47 ARG .392 2.164 1.743 4 7 11 48 48 ILE .486 .955 .757 4 4 8 49 49 GLN .568 1.434 1.134 4 5 9 50 50 LEU .471 .685 .588 4 4 8 51 51 PHE .478 .641 .587 4 7 11 52 52 ASP .989 1.636 1.352 4 4 8 53 53 GLY 1.404 .000 1.404 4 0 4 54 54 ASP 1.855 3.224 2.630 4 4 8 55 55 ASP 1.666 3.420 2.690 4 4 8 56 56 GLN 1.092 2.931 2.303 4 5 9 57 57 LEU .580 .758 .675 4 4 8 58 58 LYS .741 .665 .700 4 5 9 59 59 GLY .716 .000 .716 4 0 4 60 60 GLU 1.194 1.271 1.238 4 5 9 61 61 LEU 1.478 5.795 4.229 4 4 8 62 62 THR 3.404 5.696 4.530 4 3 7 63 63 ASP 1.086 3.279 2.442 4 4 8 64 64 GLY .800 .000 .800 4 0 4 65 65 ALA 1.319 1.632 1.388 4 1 5 66 66 LYS .392 1.004 .792 4 5 9 67 67 SER .324 .581 .427 4 2 6 68 68 LEU .403 .608 .516 4 4 8 69 69 LYS .335 1.601 1.214 4 5 9 70 70 ASP .276 1.003 .736 4 4 8 71 71 LEU .217 .415 .331 4 4 8 72 72 GLY .170 .000 .170 4 0 4 73 73 VAL .566 .502 .539 4 3 7 74 74 ARG .635 2.424 1.971 4 7 11 75 75 ASP .705 1.294 1.042 4 4 8 76 76 GLY .734 .000 .734 4 0 4 77 77 TYR .566 1.121 .972 4 8 12 78 78 ARG .582 1.900 1.556 4 7 11 79 79 ILE .622 .976 .818 4 4 8 80 80 HIS .642 .917 .818 4 6 10 81 81 ALA .591 .688 .612 4 1 5 82 82 VAL .499 .519 .508 4 3 7 83 83 ASP .452 1.560 1.149 4 4 8 84 84 VAL .605 .617 .611 4 3 7 85 85 THR 1.170 1.731 1.438 4 3 7 86 86 GLY 1.201 .000 1.201 4 0 4 87 87 GLY 1.335 .000 1.335 4 0 4 88 88 ASN 1.615 1.315 1.473 4 4 8 89 89 GLU 2.850 3.550 3.257 4 5 9 90 90 ASP 4.531 6.971 6.047 3 4 7 ENDMDL Model RMS deviations: 1.0554 2.0863 1.6355 359 334 693 MODEL 9 1 1 MET 1.327 2.891 2.249 4 4 8 2 2 THR .717 1.811 1.304 4 3 7 3 3 GLU .533 1.370 1.081 4 5 9 4 4 VAL .272 .561 .421 4 3 7 5 5 TYR .719 2.954 2.448 4 8 12 6 6 ASP .895 1.399 1.174 4 4 8 7 7 LEU .851 1.473 1.203 4 4 8 8 8 GLU .775 1.169 1.013 4 5 9 9 9 ILE .643 .980 .829 4 4 8 10 10 THR .573 .628 .597 4 3 7 11 11 THR .554 .951 .750 4 3 7 12 12 ASN .679 1.787 1.352 4 4 8 13 13 ALA 1.271 1.227 1.262 4 1 5 14 14 THR 1.106 1.716 1.400 4 3 7 15 15 ASP 1.289 2.551 2.021 4 4 8 16 16 PHE 1.143 2.949 2.451 4 7 11 17 17 PRO .590 .688 .634 4 3 7 18 18 MET .460 1.164 .885 4 4 8 19 19 GLU .556 1.713 1.330 4 5 9 20 20 LYS .540 1.614 1.256 4 5 9 21 21 LYS .681 1.513 1.216 4 5 9 22 22 TYR .657 .892 .822 4 8 12 23 23 PRO .583 .484 .543 4 3 7 24 24 ALA .498 .809 .574 4 1 5 25 25 GLY .561 .000 .561 4 0 4 26 26 MET .502 2.043 1.488 4 4 8 27 27 SER .478 1.020 .706 4 2 6 28 28 LEU .481 .734 .620 4 4 8 29 29 ASN .870 1.121 1.003 4 4 8 30 30 ASP .950 1.702 1.378 4 4 8 31 31 LEU .723 .844 .786 4 4 8 32 32 LYS .650 1.202 .995 4 5 9 33 33 LYS .880 1.522 1.278 4 5 9 34 34 LYS .835 .710 .768 4 5 9 35 35 LEU .532 .353 .451 4 4 8 36 36 GLU .553 1.520 1.192 4 5 9 37 37 LEU .648 .478 .570 4 4 8 38 38 VAL .964 .866 .924 4 3 7 39 39 VAL 1.196 1.411 1.292 4 3 7 40 40 GLY 1.233 .000 1.233 4 0 4 41 41 THR 1.353 1.775 1.548 4 3 7 42 42 THR 1.112 1.837 1.468 4 3 7 43 43 VAL .418 .361 .395 4 3 7 44 44 ASP .473 .912 .727 4 4 8 45 45 SER .460 .723 .562 4 2 6 46 46 MET .301 1.443 1.042 4 4 8 47 47 ARG .371 2.348 1.886 4 7 11 48 48 ILE .368 .800 .623 4 4 8 49 49 GLN .249 1.149 .872 4 5 9 50 50 LEU .313 .396 .357 4 4 8 51 51 PHE .346 .544 .482 4 7 11 52 52 ASP 2.183 1.395 1.832 4 4 8 53 53 GLY 3.589 .000 3.589 4 0 4 54 54 ASP 1.634 3.544 2.760 4 4 8 55 55 ASP 1.245 2.602 2.040 4 4 8 56 56 GLN .723 .670 .694 4 5 9 57 57 LEU .864 1.067 .971 4 4 8 58 58 LYS 1.287 .889 1.084 4 5 9 59 59 GLY 1.287 .000 1.287 4 0 4 60 60 GLU .988 3.599 2.762 4 5 9 61 61 LEU .955 1.596 1.315 4 4 8 62 62 THR .985 .986 .986 4 3 7 63 63 ASP 1.608 1.548 1.578 4 4 8 64 64 GLY .764 .000 .764 4 0 4 65 65 ALA 1.002 1.074 1.017 4 1 5 66 66 LYS 1.161 1.773 1.532 4 5 9 67 67 SER .789 .957 .848 4 2 6 68 68 LEU .350 .615 .500 4 4 8 69 69 LYS .522 1.588 1.234 4 5 9 70 70 ASP .707 1.365 1.087 4 4 8 71 71 LEU .412 .749 .604 4 4 8 72 72 GLY .559 .000 .559 4 0 4 73 73 VAL .714 .873 .786 4 3 7 74 74 ARG .629 3.049 2.462 4 7 11 75 75 ASP .492 1.860 1.360 4 4 8 76 76 GLY .360 .000 .360 4 0 4 77 77 TYR .512 .999 .868 4 8 12 78 78 ARG .447 1.189 .986 4 7 11 79 79 ILE .319 .860 .648 4 4 8 80 80 HIS .463 .496 .483 4 6 10 81 81 ALA .616 .714 .637 4 1 5 82 82 VAL .661 .954 .800 4 3 7 83 83 ASP .644 1.319 1.038 4 4 8 84 84 VAL .680 1.387 1.043 4 3 7 85 85 THR .930 .957 .941 4 3 7 86 86 GLY 1.154 .000 1.154 4 0 4 87 87 GLY 1.007 .000 1.007 4 0 4 88 88 ASN .855 1.811 1.416 4 4 8 89 89 GLU 1.457 3.241 2.604 4 5 9 90 90 ASP 2.885 3.776 3.423 3 4 7 ENDMDL Model RMS deviations: .9584 1.6909 1.3615 359 334 693 MODEL 10 1 1 MET 4.200 6.934 5.732 4 4 8 2 2 THR 2.858 4.002 3.396 4 3 7 3 3 GLU .756 2.984 2.281 4 5 9 4 4 VAL .766 .977 .863 4 3 7 5 5 TYR .809 2.583 2.160 4 8 12 6 6 ASP 1.020 2.156 1.687 4 4 8 7 7 LEU .691 1.187 .971 4 4 8 8 8 GLU .464 1.056 .846 4 5 9 9 9 ILE .394 .799 .630 4 4 8 10 10 THR .611 .920 .759 4 3 7 11 11 THR .717 .571 .658 4 3 7 12 12 ASN 1.404 1.711 1.565 4 4 8 13 13 ALA 1.612 2.491 1.822 4 1 5 14 14 THR 1.310 1.250 1.284 4 3 7 15 15 ASP 1.064 2.166 1.706 4 4 8 16 16 PHE .551 1.658 1.364 4 7 11 17 17 PRO .577 .740 .652 4 3 7 18 18 MET .751 1.932 1.466 4 4 8 19 19 GLU 1.153 2.013 1.686 4 5 9 20 20 LYS 1.036 1.773 1.491 4 5 9 21 21 LYS 1.300 1.981 1.712 4 5 9 22 22 TYR .811 1.413 1.245 4 8 12 23 23 PRO .599 .634 .614 4 3 7 24 24 ALA .508 .583 .523 4 1 5 25 25 GLY .572 .000 .572 4 0 4 26 26 MET .377 1.134 .845 4 4 8 27 27 SER .273 .498 .364 4 2 6 28 28 LEU .226 1.380 .989 4 4 8 29 29 ASN .509 1.096 .854 4 4 8 30 30 ASP .487 1.078 .836 4 4 8 31 31 LEU .256 .681 .514 4 4 8 32 32 LYS .478 .919 .756 4 5 9 33 33 LYS .621 .919 .800 4 5 9 34 34 LYS .265 .640 .509 4 5 9 35 35 LEU .264 .511 .407 4 4 8 36 36 GLU .420 2.198 1.662 4 5 9 37 37 LEU .326 .327 .326 4 4 8 38 38 VAL .473 .504 .487 4 3 7 39 39 VAL .452 .625 .533 4 3 7 40 40 GLY .350 .000 .350 4 0 4 41 41 THR .395 1.168 .821 4 3 7 42 42 THR .326 .721 .532 4 3 7 43 43 VAL .807 1.453 1.130 4 3 7 44 44 ASP 1.056 1.625 1.370 4 4 8 45 45 SER .720 .576 .675 4 2 6 46 46 MET .637 1.980 1.470 4 4 8 47 47 ARG .523 1.555 1.280 4 7 11 48 48 ILE .713 1.164 .965 4 4 8 49 49 GLN .654 1.691 1.334 4 5 9 50 50 LEU .430 .517 .476 4 4 8 51 51 PHE .378 1.508 1.225 4 7 11 52 52 ASP .733 1.417 1.128 4 4 8 53 53 GLY 1.072 .000 1.072 4 0 4 54 54 ASP 2.951 2.239 2.619 4 4 8 55 55 ASP 4.613 8.879 7.075 4 4 8 56 56 GLN 1.226 3.371 2.642 4 5 9 57 57 LEU .546 .725 .642 4 4 8 58 58 LYS .595 1.130 .931 4 5 9 59 59 GLY .780 .000 .780 4 0 4 60 60 GLU 1.037 1.260 1.166 4 5 9 61 61 LEU 1.030 1.293 1.169 4 4 8 62 62 THR .524 .801 .657 4 3 7 63 63 ASP 1.269 1.178 1.224 4 4 8 64 64 GLY .595 .000 .595 4 0 4 65 65 ALA .612 .823 .660 4 1 5 66 66 LYS .395 .936 .746 4 5 9 67 67 SER .392 .358 .381 4 2 6 68 68 LEU .337 .508 .431 4 4 8 69 69 LYS .357 1.969 1.487 4 5 9 70 70 ASP .251 .834 .616 4 4 8 71 71 LEU .325 .462 .399 4 4 8 72 72 GLY .345 .000 .345 4 0 4 73 73 VAL .393 .565 .474 4 3 7 74 74 ARG .537 2.679 2.162 4 7 11 75 75 ASP .686 2.746 2.002 4 4 8 76 76 GLY .873 .000 .873 4 0 4 77 77 TYR .367 1.333 1.109 4 8 12 78 78 ARG .209 1.249 1.004 4 7 11 79 79 ILE .432 .430 .431 4 4 8 80 80 HIS .548 .706 .647 4 6 10 81 81 ALA .426 .333 .409 4 1 5 82 82 VAL .565 .650 .603 4 3 7 83 83 ASP .684 1.482 1.154 4 4 8 84 84 VAL .590 1.517 1.089 4 3 7 85 85 THR .468 1.081 .791 4 3 7 86 86 GLY .765 .000 .765 4 0 4 87 87 GLY 1.603 .000 1.603 4 0 4 88 88 ASN 2.745 4.129 3.506 4 4 8 89 89 GLU 6.083 5.934 6.001 4 5 9 90 90 ASP 8.657 9.707 9.272 3 4 7 ENDMDL Model RMS deviations: 1.4907 2.3817 1.9710 359 334 693 MODEL 11 1 1 MET 2.466 2.528 2.497 4 4 8 2 2 THR 1.275 2.250 1.760 4 3 7 3 3 GLU .477 2.955 2.226 4 5 9 4 4 VAL .680 .975 .820 4 3 7 5 5 TYR .768 2.585 2.157 4 8 12 6 6 ASP .654 1.081 .893 4 4 8 7 7 LEU .816 1.197 1.024 4 4 8 8 8 GLU .610 1.139 .941 4 5 9 9 9 ILE .283 1.129 .823 4 4 8 10 10 THR .180 .434 .315 4 3 7 11 11 THR .212 .619 .436 4 3 7 12 12 ASN .428 .753 .613 4 4 8 13 13 ALA 1.045 1.137 1.064 4 1 5 14 14 THR 1.006 .823 .932 4 3 7 15 15 ASP 1.026 1.372 1.211 4 4 8 16 16 PHE .712 1.643 1.379 4 7 11 17 17 PRO .438 .847 .646 4 3 7 18 18 MET .522 2.468 1.783 4 4 8 19 19 GLU .741 1.664 1.335 4 5 9 20 20 LYS .907 2.049 1.642 4 5 9 21 21 LYS .950 1.193 1.091 4 5 9 22 22 TYR .789 1.241 1.111 4 8 12 23 23 PRO .513 .560 .534 4 3 7 24 24 ALA .367 .604 .425 4 1 5 25 25 GLY .518 .000 .518 4 0 4 26 26 MET .411 2.009 1.450 4 4 8 27 27 SER .487 .361 .449 4 2 6 28 28 LEU .623 1.357 1.056 4 4 8 29 29 ASN .625 .444 .542 4 4 8 30 30 ASP .567 .999 .812 4 4 8 31 31 LEU .527 1.484 1.114 4 4 8 32 32 LYS .533 .736 .653 4 5 9 33 33 LYS .466 1.141 .906 4 5 9 34 34 LYS .593 1.036 .868 4 5 9 35 35 LEU .726 .858 .795 4 4 8 36 36 GLU .820 2.191 1.722 4 5 9 37 37 LEU .850 .926 .889 4 4 8 38 38 VAL .714 .667 .694 4 3 7 39 39 VAL .694 .486 .613 4 3 7 40 40 GLY 1.016 .000 1.016 4 0 4 41 41 THR .902 .925 .912 4 3 7 42 42 THR 1.067 1.651 1.349 4 3 7 43 43 VAL 1.159 1.404 1.269 4 3 7 44 44 ASP 1.472 2.527 2.068 4 4 8 45 45 SER .788 1.126 .915 4 2 6 46 46 MET .479 .867 .700 4 4 8 47 47 ARG .381 2.547 2.045 4 7 11 48 48 ILE .252 .569 .440 4 4 8 49 49 GLN .250 1.238 .937 4 5 9 50 50 LEU .558 .712 .639 4 4 8 51 51 PHE 1.044 .992 1.011 4 7 11 52 52 ASP 1.532 2.474 2.057 4 4 8 53 53 GLY 1.809 .000 1.809 4 0 4 54 54 ASP 2.267 2.437 2.354 4 4 8 55 55 ASP .529 1.150 .895 4 4 8 56 56 GLN .721 2.007 1.571 4 5 9 57 57 LEU .758 .769 .763 4 4 8 58 58 LYS .883 1.228 1.088 4 5 9 59 59 GLY .694 .000 .694 4 0 4 60 60 GLU .458 .693 .600 4 5 9 61 61 LEU 1.222 1.140 1.182 4 4 8 62 62 THR 1.234 2.006 1.611 4 3 7 63 63 ASP 1.396 1.137 1.273 4 4 8 64 64 GLY .481 .000 .481 4 0 4 65 65 ALA .571 .309 .529 4 1 5 66 66 LYS .304 1.089 .837 4 5 9 67 67 SER .202 .745 .461 4 2 6 68 68 LEU .317 .600 .480 4 4 8 69 69 LYS .416 1.621 1.240 4 5 9 70 70 ASP .556 .969 .790 4 4 8 71 71 LEU .667 .529 .602 4 4 8 72 72 GLY .891 .000 .891 4 0 4 73 73 VAL .912 1.047 .972 4 3 7 74 74 ARG .562 1.341 1.122 4 7 11 75 75 ASP .644 1.571 1.201 4 4 8 76 76 GLY .697 .000 .697 4 0 4 77 77 TYR .410 1.055 .893 4 8 12 78 78 ARG .261 1.735 1.393 4 7 11 79 79 ILE .214 .361 .297 4 4 8 80 80 HIS .316 .401 .369 4 6 10 81 81 ALA .478 .508 .485 4 1 5 82 82 VAL .429 .454 .440 4 3 7 83 83 ASP .570 1.108 .881 4 4 8 84 84 VAL .676 1.476 1.093 4 3 7 85 85 THR .851 1.375 1.107 4 3 7 86 86 GLY 1.169 .000 1.169 4 0 4 87 87 GLY 1.463 .000 1.463 4 0 4 88 88 ASN 1.225 3.030 2.311 4 4 8 89 89 GLU 1.735 5.309 4.123 4 5 9 90 90 ASP 4.338 7.394 6.269 3 4 7 ENDMDL Model RMS deviations: .9477 1.7986 1.4228 359 334 693 MODEL 12 1 1 MET 2.492 2.267 2.382 4 4 8 2 2 THR 1.764 2.488 2.105 4 3 7 3 3 GLU .801 1.763 1.419 4 5 9 4 4 VAL .838 .910 .870 4 3 7 5 5 TYR .454 1.910 1.582 4 8 12 6 6 ASP .299 1.195 .871 4 4 8 7 7 LEU .524 1.035 .820 4 4 8 8 8 GLU .549 1.287 1.027 4 5 9 9 9 ILE .583 .668 .627 4 4 8 10 10 THR .339 1.512 1.023 4 3 7 11 11 THR .289 .275 .283 4 3 7 12 12 ASN .265 .741 .557 4 4 8 13 13 ALA .254 .682 .380 4 1 5 14 14 THR .398 .618 .504 4 3 7 15 15 ASP 1.315 2.237 1.835 4 4 8 16 16 PHE 1.186 4.633 3.765 4 7 11 17 17 PRO 1.111 1.420 1.253 4 3 7 18 18 MET 1.021 3.795 2.779 4 4 8 19 19 GLU .937 2.103 1.687 4 5 9 20 20 LYS .723 2.244 1.741 4 5 9 21 21 LYS .873 1.302 1.132 4 5 9 22 22 TYR .631 1.372 1.178 4 8 12 23 23 PRO .539 .976 .758 4 3 7 24 24 ALA .442 .613 .481 4 1 5 25 25 GLY .458 .000 .458 4 0 4 26 26 MET .321 1.904 1.365 4 4 8 27 27 SER .288 .330 .303 4 2 6 28 28 LEU .323 .570 .463 4 4 8 29 29 ASN .556 1.945 1.431 4 4 8 30 30 ASP .396 .807 .635 4 4 8 31 31 LEU .372 .632 .519 4 4 8 32 32 LYS .621 1.078 .904 4 5 9 33 33 LYS .735 1.689 1.351 4 5 9 34 34 LYS .672 1.788 1.406 4 5 9 35 35 LEU .785 .603 .700 4 4 8 36 36 GLU .783 1.241 1.062 4 5 9 37 37 LEU .655 .529 .595 4 4 8 38 38 VAL .939 1.100 1.011 4 3 7 39 39 VAL 1.174 1.461 1.305 4 3 7 40 40 GLY 1.041 .000 1.041 4 0 4 41 41 THR 1.297 2.258 1.774 4 3 7 42 42 THR 1.047 1.707 1.369 4 3 7 43 43 VAL .656 .553 .614 4 3 7 44 44 ASP .830 1.120 .986 4 4 8 45 45 SER 1.088 1.282 1.156 4 2 6 46 46 MET .625 .989 .827 4 4 8 47 47 ARG .338 2.817 2.256 4 7 11 48 48 ILE .293 .460 .385 4 4 8 49 49 GLN .184 .969 .733 4 5 9 50 50 LEU .232 .558 .428 4 4 8 51 51 PHE .535 .592 .572 4 7 11 52 52 ASP 1.967 3.243 2.682 4 4 8 53 53 GLY 4.012 .000 4.012 4 0 4 54 54 ASP 2.979 3.657 3.335 4 4 8 55 55 ASP 1.622 2.961 2.387 4 4 8 56 56 GLN .783 3.709 2.813 4 5 9 57 57 LEU .670 .612 .641 4 4 8 58 58 LYS .641 1.739 1.365 4 5 9 59 59 GLY .395 .000 .395 4 0 4 60 60 GLU .424 1.037 .823 4 5 9 61 61 LEU .467 1.039 .806 4 4 8 62 62 THR .770 1.293 1.027 4 3 7 63 63 ASP 1.061 1.515 1.308 4 4 8 64 64 GLY .914 .000 .914 4 0 4 65 65 ALA .620 .288 .570 4 1 5 66 66 LYS .674 1.372 1.117 4 5 9 67 67 SER .599 .989 .752 4 2 6 68 68 LEU .409 .601 .514 4 4 8 69 69 LYS .665 1.763 1.387 4 5 9 70 70 ASP 1.010 1.322 1.177 4 4 8 71 71 LEU .867 .812 .840 4 4 8 72 72 GLY .661 .000 .661 4 0 4 73 73 VAL .333 .424 .374 4 3 7 74 74 ARG .199 4.264 3.403 4 7 11 75 75 ASP .290 .785 .592 4 4 8 76 76 GLY .350 .000 .350 4 0 4 77 77 TYR .359 1.003 .844 4 8 12 78 78 ARG .339 2.548 2.043 4 7 11 79 79 ILE .332 .472 .408 4 4 8 80 80 HIS .332 .276 .299 4 6 10 81 81 ALA .308 .642 .398 4 1 5 82 82 VAL .401 .355 .382 4 3 7 83 83 ASP .611 2.291 1.676 4 4 8 84 84 VAL .902 1.501 1.196 4 3 7 85 85 THR .686 2.182 1.520 4 3 7 86 86 GLY 3.438 .000 3.438 4 0 4 87 87 GLY 3.899 .000 3.899 4 0 4 88 88 ASN 2.879 3.491 3.200 4 4 8 89 89 GLU 2.784 1.328 2.103 4 5 9 90 90 ASP 5.000 7.273 6.398 3 4 7 ENDMDL Model RMS deviations: 1.2443 2.0430 1.6774 359 334 693 MODEL 13 1 1 MET 1.815 3.846 3.007 4 4 8 2 2 THR .688 1.676 1.214 4 3 7 3 3 GLU .295 2.166 1.627 4 5 9 4 4 VAL .242 .351 .294 4 3 7 5 5 TYR .354 3.468 2.839 4 8 12 6 6 ASP .222 1.610 1.149 4 4 8 7 7 LEU .382 .915 .701 4 4 8 8 8 GLU .546 1.143 .927 4 5 9 9 9 ILE .660 .655 .658 4 4 8 10 10 THR .697 .678 .689 4 3 7 11 11 THR .873 .846 .861 4 3 7 12 12 ASN 1.051 .894 .975 4 4 8 13 13 ALA .882 .811 .869 4 1 5 14 14 THR .684 .546 .628 4 3 7 15 15 ASP .710 1.765 1.346 4 4 8 16 16 PHE .743 1.726 1.448 4 7 11 17 17 PRO .481 .453 .469 4 3 7 18 18 MET .503 2.127 1.546 4 4 8 19 19 GLU .554 1.907 1.469 4 5 9 20 20 LYS .428 2.327 1.758 4 5 9 21 21 LYS .435 1.205 .944 4 5 9 22 22 TYR .530 2.172 1.800 4 8 12 23 23 PRO .313 .598 .457 4 3 7 24 24 ALA .450 .887 .565 4 1 5 25 25 GLY .551 .000 .551 4 0 4 26 26 MET .275 1.268 .917 4 4 8 27 27 SER .396 .455 .417 4 2 6 28 28 LEU .525 1.199 .925 4 4 8 29 29 ASN .423 .495 .460 4 4 8 30 30 ASP .387 .944 .722 4 4 8 31 31 LEU .524 .900 .736 4 4 8 32 32 LYS .545 .782 .687 4 5 9 33 33 LYS .425 .843 .689 4 5 9 34 34 LYS .350 1.712 1.297 4 5 9 35 35 LEU .467 .531 .500 4 4 8 36 36 GLU .414 3.147 2.362 4 5 9 37 37 LEU .295 .194 .250 4 4 8 38 38 VAL .567 .855 .705 4 3 7 39 39 VAL .419 .446 .431 4 3 7 40 40 GLY .384 .000 .384 4 0 4 41 41 THR .610 1.323 .981 4 3 7 42 42 THR .256 .726 .513 4 3 7 43 43 VAL .403 .950 .693 4 3 7 44 44 ASP .740 1.474 1.166 4 4 8 45 45 SER .836 .692 .791 4 2 6 46 46 MET .380 1.852 1.337 4 4 8 47 47 ARG .360 1.997 1.608 4 7 11 48 48 ILE .426 1.822 1.323 4 4 8 49 49 GLN .503 1.362 1.069 4 5 9 50 50 LEU .508 1.385 1.043 4 4 8 51 51 PHE .739 2.146 1.769 4 7 11 52 52 ASP 1.462 2.198 1.867 4 4 8 53 53 GLY 2.078 .000 2.078 4 0 4 54 54 ASP 1.576 4.118 3.118 4 4 8 55 55 ASP 1.666 1.459 1.566 4 4 8 56 56 GLN .976 2.800 2.186 4 5 9 57 57 LEU .955 1.602 1.319 4 4 8 58 58 LYS 1.525 1.718 1.635 4 5 9 59 59 GLY 1.507 .000 1.507 4 0 4 60 60 GLU .904 1.683 1.392 4 5 9 61 61 LEU .734 .950 .849 4 4 8 62 62 THR .757 1.462 1.115 4 3 7 63 63 ASP .859 1.210 1.049 4 4 8 64 64 GLY .868 .000 .868 4 0 4 65 65 ALA .993 1.147 1.026 4 1 5 66 66 LYS .577 .807 .714 4 5 9 67 67 SER .327 .843 .555 4 2 6 68 68 LEU .589 1.097 .881 4 4 8 69 69 LYS .887 1.261 1.110 4 5 9 70 70 ASP 1.056 1.605 1.359 4 4 8 71 71 LEU .927 .553 .763 4 4 8 72 72 GLY 1.188 .000 1.188 4 0 4 73 73 VAL 1.103 1.016 1.067 4 3 7 74 74 ARG .734 2.502 2.044 4 7 11 75 75 ASP .647 1.085 .894 4 4 8 76 76 GLY .756 .000 .756 4 0 4 77 77 TYR .583 1.145 .994 4 8 12 78 78 ARG .489 2.322 1.876 4 7 11 79 79 ILE .621 .773 .701 4 4 8 80 80 HIS .367 .421 .400 4 6 10 81 81 ALA .598 .826 .650 4 1 5 82 82 VAL .744 .509 .654 4 3 7 83 83 ASP .698 2.160 1.605 4 4 8 84 84 VAL .890 .979 .929 4 3 7 85 85 THR 1.052 2.411 1.767 4 3 7 86 86 GLY .832 .000 .832 4 0 4 87 87 GLY .996 .000 .996 4 0 4 88 88 ASN .929 1.806 1.436 4 4 8 89 89 GLU 2.407 1.143 1.817 4 5 9 90 90 ASP 4.107 5.425 4.904 3 4 7 ENDMDL Model RMS deviations: .9052 1.7997 1.4091 359 334 693 MODEL 14 1 1 MET 3.774 1.808 2.959 4 4 8 2 2 THR 2.580 4.815 3.707 4 3 7 3 3 GLU .660 2.511 1.922 4 5 9 4 4 VAL .391 .330 .366 4 3 7 5 5 TYR .607 3.478 2.861 4 8 12 6 6 ASP .483 1.304 .983 4 4 8 7 7 LEU .303 .993 .734 4 4 8 8 8 GLU .294 .920 .713 4 5 9 9 9 ILE .434 .636 .544 4 4 8 10 10 THR .453 1.427 .995 4 3 7 11 11 THR .511 .758 .629 4 3 7 12 12 ASN .532 .905 .742 4 4 8 13 13 ALA 1.089 1.128 1.097 4 1 5 14 14 THR .780 1.172 .968 4 3 7 15 15 ASP 1.038 3.346 2.477 4 4 8 16 16 PHE .692 3.844 3.094 4 7 11 17 17 PRO .764 .824 .790 4 3 7 18 18 MET .717 2.054 1.539 4 4 8 19 19 GLU .652 1.606 1.274 4 5 9 20 20 LYS .709 1.275 1.062 4 5 9 21 21 LYS .674 1.243 1.029 4 5 9 22 22 TYR .709 1.525 1.310 4 8 12 23 23 PRO .556 .514 .539 4 3 7 24 24 ALA .588 .675 .606 4 1 5 25 25 GLY .611 .000 .611 4 0 4 26 26 MET .462 2.191 1.584 4 4 8 27 27 SER .509 .802 .622 4 2 6 28 28 LEU .653 .819 .741 4 4 8 29 29 ASN .839 1.223 1.049 4 4 8 30 30 ASP .760 1.317 1.075 4 4 8 31 31 LEU .607 1.349 1.046 4 4 8 32 32 LYS .536 .967 .805 4 5 9 33 33 LYS .522 2.060 1.574 4 5 9 34 34 LYS .668 1.189 .992 4 5 9 35 35 LEU .801 .969 .889 4 4 8 36 36 GLU .813 1.992 1.580 4 5 9 37 37 LEU 1.055 1.010 1.033 4 4 8 38 38 VAL 1.119 1.334 1.216 4 3 7 39 39 VAL .866 .763 .823 4 3 7 40 40 GLY .742 .000 .742 4 0 4 41 41 THR .463 .531 .493 4 3 7 42 42 THR .583 1.556 1.110 4 3 7 43 43 VAL .664 1.028 .840 4 3 7 44 44 ASP .780 3.485 2.525 4 4 8 45 45 SER .487 .645 .545 4 2 6 46 46 MET .448 1.252 .940 4 4 8 47 47 ARG .433 2.373 1.911 4 7 11 48 48 ILE .528 .548 .538 4 4 8 49 49 GLN .517 .988 .813 4 5 9 50 50 LEU .608 .646 .627 4 4 8 51 51 PHE .469 1.023 .863 4 7 11 52 52 ASP .483 1.291 .975 4 4 8 53 53 GLY 1.320 .000 1.320 4 0 4 54 54 ASP .954 1.427 1.214 4 4 8 55 55 ASP 2.256 1.139 1.787 4 4 8 56 56 GLN .935 1.637 1.370 4 5 9 57 57 LEU 1.261 1.415 1.340 4 4 8 58 58 LYS 1.314 1.099 1.200 4 5 9 59 59 GLY 1.289 .000 1.289 4 0 4 60 60 GLU .732 1.136 .977 4 5 9 61 61 LEU .691 .914 .810 4 4 8 62 62 THR .404 1.003 .724 4 3 7 63 63 ASP 1.406 1.513 1.461 4 4 8 64 64 GLY .799 .000 .799 4 0 4 65 65 ALA .885 1.192 .954 4 1 5 66 66 LYS .634 1.098 .921 4 5 9 67 67 SER .627 .539 .599 4 2 6 68 68 LEU .616 1.033 .851 4 4 8 69 69 LYS .559 2.246 1.715 4 5 9 70 70 ASP .501 1.077 .840 4 4 8 71 71 LEU .550 .577 .564 4 4 8 72 72 GLY .916 .000 .916 4 0 4 73 73 VAL 1.139 .731 .985 4 3 7 74 74 ARG 1.004 2.263 1.904 4 7 11 75 75 ASP .769 1.051 .921 4 4 8 76 76 GLY .306 .000 .306 4 0 4 77 77 TYR .272 1.185 .981 4 8 12 78 78 ARG .348 2.229 1.791 4 7 11 79 79 ILE .416 .561 .494 4 4 8 80 80 HIS .527 .642 .598 4 6 10 81 81 ALA .517 .455 .506 4 1 5 82 82 VAL .454 .454 .454 4 3 7 83 83 ASP .285 1.071 .784 4 4 8 84 84 VAL .391 .757 .577 4 3 7 85 85 THR .674 1.590 1.159 4 3 7 86 86 GLY 1.105 .000 1.105 4 0 4 87 87 GLY 1.993 .000 1.993 4 0 4 88 88 ASN 2.644 3.067 2.863 4 4 8 89 89 GLU 6.107 7.612 6.983 4 5 9 90 90 ASP 5.681 8.819 7.634 3 4 7 ENDMDL Model RMS deviations: 1.2588 2.1544 1.7487 359 334 693 MODEL 15 1 1 MET 2.876 2.530 2.709 4 4 8 2 2 THR 1.847 3.747 2.823 4 3 7 3 3 GLU 1.168 1.632 1.444 4 5 9 4 4 VAL .949 .977 .961 4 3 7 5 5 TYR .808 3.386 2.804 4 8 12 6 6 ASP .722 1.735 1.329 4 4 8 7 7 LEU .454 1.091 .836 4 4 8 8 8 GLU .392 .926 .738 4 5 9 9 9 ILE .663 .747 .706 4 4 8 10 10 THR .712 .815 .758 4 3 7 11 11 THR .537 .694 .609 4 3 7 12 12 ASN .287 .708 .541 4 4 8 13 13 ALA .513 .565 .524 4 1 5 14 14 THR .952 1.011 .978 4 3 7 15 15 ASP 1.603 2.650 2.190 4 4 8 16 16 PHE 1.425 3.429 2.867 4 7 11 17 17 PRO .918 1.191 1.044 4 3 7 18 18 MET .687 2.169 1.609 4 4 8 19 19 GLU .561 1.690 1.314 4 5 9 20 20 LYS .744 2.014 1.581 4 5 9 21 21 LYS 1.213 1.965 1.673 4 5 9 22 22 TYR 1.011 1.709 1.512 4 8 12 23 23 PRO 1.019 1.227 1.113 4 3 7 24 24 ALA .818 1.181 .902 4 1 5 25 25 GLY .427 .000 .427 4 0 4 26 26 MET .541 1.271 .977 4 4 8 27 27 SER .732 1.092 .869 4 2 6 28 28 LEU .495 .743 .631 4 4 8 29 29 ASN .508 .553 .531 4 4 8 30 30 ASP .650 1.277 1.013 4 4 8 31 31 LEU .640 1.481 1.141 4 4 8 32 32 LYS .314 .733 .585 4 5 9 33 33 LYS .485 .569 .533 4 5 9 34 34 LYS .734 1.164 .996 4 5 9 35 35 LEU .852 .857 .854 4 4 8 36 36 GLU .845 1.320 1.133 4 5 9 37 37 LEU .921 .754 .842 4 4 8 38 38 VAL 1.152 1.229 1.186 4 3 7 39 39 VAL 1.226 1.271 1.246 4 3 7 40 40 GLY 1.011 .000 1.011 4 0 4 41 41 THR .848 1.165 .996 4 3 7 42 42 THR .652 .912 .774 4 3 7 43 43 VAL .513 1.790 1.235 4 3 7 44 44 ASP .557 1.154 .906 4 4 8 45 45 SER .201 1.535 .901 4 2 6 46 46 MET .166 1.460 1.039 4 4 8 47 47 ARG .199 2.764 2.209 4 7 11 48 48 ILE .171 .477 .358 4 4 8 49 49 GLN .291 2.147 1.612 4 5 9 50 50 LEU .327 1.343 .977 4 4 8 51 51 PHE .398 .582 .523 4 7 11 52 52 ASP 1.319 1.334 1.327 4 4 8 53 53 GLY 1.855 .000 1.855 4 0 4 54 54 ASP 2.704 2.809 2.757 4 4 8 55 55 ASP 1.650 2.762 2.275 4 4 8 56 56 GLN 1.123 3.301 2.572 4 5 9 57 57 LEU 1.733 1.686 1.710 4 4 8 58 58 LYS 1.458 1.380 1.415 4 5 9 59 59 GLY .728 .000 .728 4 0 4 60 60 GLU .765 1.364 1.137 4 5 9 61 61 LEU .785 1.226 1.029 4 4 8 62 62 THR .892 1.200 1.035 4 3 7 63 63 ASP .935 1.153 1.050 4 4 8 64 64 GLY .770 .000 .770 4 0 4 65 65 ALA .549 .715 .586 4 1 5 66 66 LYS .340 .782 .625 4 5 9 67 67 SER .267 .671 .444 4 2 6 68 68 LEU .387 .661 .542 4 4 8 69 69 LYS .686 1.038 .899 4 5 9 70 70 ASP .640 .896 .779 4 4 8 71 71 LEU .690 .576 .636 4 4 8 72 72 GLY .776 .000 .776 4 0 4 73 73 VAL .574 .277 .470 4 3 7 74 74 ARG .522 2.470 1.995 4 7 11 75 75 ASP .797 1.498 1.200 4 4 8 76 76 GLY .933 .000 .933 4 0 4 77 77 TYR .323 1.067 .891 4 8 12 78 78 ARG .273 2.170 1.739 4 7 11 79 79 ILE .190 .585 .435 4 4 8 80 80 HIS .129 .315 .257 4 6 10 81 81 ALA .134 .136 .135 4 1 5 82 82 VAL .316 .414 .361 4 3 7 83 83 ASP .489 1.864 1.362 4 4 8 84 84 VAL .396 .713 .554 4 3 7 85 85 THR .587 1.442 1.043 4 3 7 86 86 GLY 1.001 .000 1.001 4 0 4 87 87 GLY .948 .000 .948 4 0 4 88 88 ASN .920 1.884 1.483 4 4 8 89 89 GLU 2.052 3.909 3.219 4 5 9 90 90 ASP 4.064 6.341 5.482 3 4 7 ENDMDL Model RMS deviations: 1.0083 1.8664 1.4851 359 334 693 MODEL 16 1 1 MET 2.506 4.476 3.627 4 4 8 2 2 THR .888 2.982 2.065 4 3 7 3 3 GLU .831 2.290 1.795 4 5 9 4 4 VAL .453 .373 .420 4 3 7 5 5 TYR .477 2.754 2.265 4 8 12 6 6 ASP .556 1.675 1.248 4 4 8 7 7 LEU .511 1.061 .833 4 4 8 8 8 GLU .477 1.020 .824 4 5 9 9 9 ILE .346 .388 .368 4 4 8 10 10 THR .341 .516 .425 4 3 7 11 11 THR .348 .442 .391 4 3 7 12 12 ASN .469 .820 .668 4 4 8 13 13 ALA 1.199 1.218 1.203 4 1 5 14 14 THR 1.354 1.473 1.407 4 3 7 15 15 ASP 1.653 1.250 1.465 4 4 8 16 16 PHE 1.425 2.605 2.249 4 7 11 17 17 PRO 1.000 1.341 1.159 4 3 7 18 18 MET .428 2.076 1.499 4 4 8 19 19 GLU .520 2.105 1.607 4 5 9 20 20 LYS .633 2.042 1.579 4 5 9 21 21 LYS .667 1.786 1.403 4 5 9 22 22 TYR .422 1.617 1.343 4 8 12 23 23 PRO .691 .830 .753 4 3 7 24 24 ALA .678 1.194 .808 4 1 5 25 25 GLY .360 .000 .360 4 0 4 26 26 MET .492 2.229 1.614 4 4 8 27 27 SER .411 .528 .453 4 2 6 28 28 LEU .189 1.343 .959 4 4 8 29 29 ASN .150 .278 .223 4 4 8 30 30 ASP .488 1.206 .920 4 4 8 31 31 LEU .628 1.094 .892 4 4 8 32 32 LYS .652 .889 .792 4 5 9 33 33 LYS .692 1.324 1.089 4 5 9 34 34 LYS .694 1.292 1.068 4 5 9 35 35 LEU .485 .557 .522 4 4 8 36 36 GLU .343 1.640 1.244 4 5 9 37 37 LEU .441 .643 .551 4 4 8 38 38 VAL .374 .484 .424 4 3 7 39 39 VAL .300 .512 .405 4 3 7 40 40 GLY .257 .000 .257 4 0 4 41 41 THR .394 .492 .438 4 3 7 42 42 THR .342 1.319 .901 4 3 7 43 43 VAL .285 .530 .408 4 3 7 44 44 ASP .345 1.172 .864 4 4 8 45 45 SER .182 .351 .251 4 2 6 46 46 MET .338 1.150 .847 4 4 8 47 47 ARG .195 2.474 1.977 4 7 11 48 48 ILE .137 .681 .491 4 4 8 49 49 GLN .316 1.008 .780 4 5 9 50 50 LEU .318 .479 .407 4 4 8 51 51 PHE .240 .531 .448 4 7 11 52 52 ASP .622 1.506 1.152 4 4 8 53 53 GLY 1.679 .000 1.679 4 0 4 54 54 ASP 2.215 2.726 2.483 4 4 8 55 55 ASP 1.600 2.252 1.954 4 4 8 56 56 GLN .933 2.339 1.851 4 5 9 57 57 LEU .361 .976 .736 4 4 8 58 58 LYS .611 1.053 .884 4 5 9 59 59 GLY .515 .000 .515 4 0 4 60 60 GLU .313 1.133 .870 4 5 9 61 61 LEU .634 .992 .832 4 4 8 62 62 THR .678 1.389 1.044 4 3 7 63 63 ASP .781 .998 .896 4 4 8 64 64 GLY .484 .000 .484 4 0 4 65 65 ALA .454 .759 .529 4 1 5 66 66 LYS .504 1.404 1.099 4 5 9 67 67 SER .511 1.176 .797 4 2 6 68 68 LEU .461 .775 .637 4 4 8 69 69 LYS .536 1.135 .919 4 5 9 70 70 ASP .735 .983 .868 4 4 8 71 71 LEU .756 .756 .756 4 4 8 72 72 GLY .687 .000 .687 4 0 4 73 73 VAL 1.747 .610 1.379 4 3 7 74 74 ARG .664 2.604 2.115 4 7 11 75 75 ASP .474 1.075 .831 4 4 8 76 76 GLY .270 .000 .270 4 0 4 77 77 TYR .387 .947 .805 4 8 12 78 78 ARG .430 1.856 1.503 4 7 11 79 79 ILE .327 .508 .427 4 4 8 80 80 HIS .294 .291 .292 4 6 10 81 81 ALA .108 .101 .106 4 1 5 82 82 VAL .143 .204 .172 4 3 7 83 83 ASP .384 1.243 .920 4 4 8 84 84 VAL .306 .784 .563 4 3 7 85 85 THR .463 1.187 .852 4 3 7 86 86 GLY .749 .000 .749 4 0 4 87 87 GLY .765 .000 .765 4 0 4 88 88 ASN .985 1.741 1.415 4 4 8 89 89 GLU 1.318 5.148 3.936 4 5 9 90 90 ASP 3.345 6.465 5.356 3 4 7 ENDMDL Model RMS deviations: .8134 1.8063 1.3839 359 334 693 MODEL 17 1 1 MET 1.081 4.832 3.501 4 4 8 2 2 THR .745 1.807 1.310 4 3 7 3 3 GLU .544 1.978 1.518 4 5 9 4 4 VAL .350 .444 .393 4 3 7 5 5 TYR .363 2.768 2.270 4 8 12 6 6 ASP .194 2.109 1.498 4 4 8 7 7 LEU .409 1.149 .863 4 4 8 8 8 GLU .644 1.055 .896 4 5 9 9 9 ILE .859 1.082 .977 4 4 8 10 10 THR .993 .969 .983 4 3 7 11 11 THR .859 .961 .904 4 3 7 12 12 ASN 1.225 1.711 1.488 4 4 8 13 13 ALA .885 .997 .909 4 1 5 14 14 THR .771 1.174 .965 4 3 7 15 15 ASP .536 .936 .763 4 4 8 16 16 PHE .739 2.712 2.209 4 7 11 17 17 PRO .871 .593 .765 4 3 7 18 18 MET 1.125 2.720 2.081 4 4 8 19 19 GLU .899 1.110 1.021 4 5 9 20 20 LYS .649 1.845 1.441 4 5 9 21 21 LYS .384 1.431 1.097 4 5 9 22 22 TYR .440 1.444 1.206 4 8 12 23 23 PRO .385 .464 .420 4 3 7 24 24 ALA .356 .556 .404 4 1 5 25 25 GLY .450 .000 .450 4 0 4 26 26 MET .579 .947 .785 4 4 8 27 27 SER .677 .837 .734 4 2 6 28 28 LEU .741 1.560 1.221 4 4 8 29 29 ASN .776 1.021 .907 4 4 8 30 30 ASP .503 .917 .740 4 4 8 31 31 LEU 1.038 1.298 1.175 4 4 8 32 32 LYS 1.234 3.315 2.604 4 5 9 33 33 LYS .550 1.095 .895 4 5 9 34 34 LYS 1.012 1.477 1.291 4 5 9 35 35 LEU 1.158 2.156 1.730 4 4 8 36 36 GLU .580 2.397 1.828 4 5 9 37 37 LEU .798 1.017 .914 4 4 8 38 38 VAL .905 1.599 1.251 4 3 7 39 39 VAL .400 .472 .432 4 3 7 40 40 GLY .596 .000 .596 4 0 4 41 41 THR .534 .613 .569 4 3 7 42 42 THR 1.090 2.285 1.708 4 3 7 43 43 VAL 1.315 2.575 1.957 4 3 7 44 44 ASP .883 1.640 1.317 4 4 8 45 45 SER 1.008 .722 .923 4 2 6 46 46 MET 1.442 1.755 1.606 4 4 8 47 47 ARG 1.254 3.002 2.511 4 7 11 48 48 ILE 1.093 1.618 1.381 4 4 8 49 49 GLN .923 1.149 1.055 4 5 9 50 50 LEU .838 1.162 1.013 4 4 8 51 51 PHE .504 1.466 1.208 4 7 11 52 52 ASP .430 1.384 1.024 4 4 8 53 53 GLY .633 .000 .633 4 0 4 54 54 ASP 1.059 2.932 2.204 4 4 8 55 55 ASP .587 .963 .797 4 4 8 56 56 GLN .810 1.997 1.584 4 5 9 57 57 LEU .531 1.002 .802 4 4 8 58 58 LYS .829 1.807 1.456 4 5 9 59 59 GLY .946 .000 .946 4 0 4 60 60 GLU 1.049 1.518 1.330 4 5 9 61 61 LEU 1.001 1.505 1.278 4 4 8 62 62 THR .649 1.300 .982 4 3 7 63 63 ASP .664 1.048 .877 4 4 8 64 64 GLY .925 .000 .925 4 0 4 65 65 ALA 1.246 1.314 1.260 4 1 5 66 66 LYS .858 .961 .916 4 5 9 67 67 SER .633 .965 .760 4 2 6 68 68 LEU .662 1.810 1.363 4 4 8 69 69 LYS .568 1.087 .895 4 5 9 70 70 ASP .426 1.018 .781 4 4 8 71 71 LEU .383 .762 .603 4 4 8 72 72 GLY .374 .000 .374 4 0 4 73 73 VAL .450 .663 .552 4 3 7 74 74 ARG .611 2.247 1.830 4 7 11 75 75 ASP .433 2.158 1.557 4 4 8 76 76 GLY .274 .000 .274 4 0 4 77 77 TYR .265 .886 .740 4 8 12 78 78 ARG .613 1.507 1.258 4 7 11 79 79 ILE .782 .951 .871 4 4 8 80 80 HIS .884 .846 .862 4 6 10 81 81 ALA 1.025 1.274 1.079 4 1 5 82 82 VAL 1.247 .985 1.142 4 3 7 83 83 ASP 1.127 1.511 1.333 4 4 8 84 84 VAL .808 1.475 1.143 4 3 7 85 85 THR .522 1.270 .920 4 3 7 86 86 GLY 1.303 .000 1.303 4 0 4 87 87 GLY 1.880 .000 1.880 4 0 4 88 88 ASN 2.189 3.843 3.127 4 4 8 89 89 GLU 5.335 4.358 4.817 4 5 9 90 90 ASP 8.544 10.801 9.897 3 4 7 ENDMDL Model RMS deviations: 1.2823 2.1750 1.7697 359 334 693 MODEL 18 1 1 MET 1.670 2.080 1.886 4 4 8 2 2 THR .647 1.362 1.017 4 3 7 3 3 GLU .431 1.358 1.052 4 5 9 4 4 VAL .368 .279 .333 4 3 7 5 5 TYR .502 3.527 2.894 4 8 12 6 6 ASP .458 1.191 .902 4 4 8 7 7 LEU .464 1.434 1.066 4 4 8 8 8 GLU .401 .685 .576 4 5 9 9 9 ILE .424 .569 .502 4 4 8 10 10 THR .563 .629 .593 4 3 7 11 11 THR .601 .762 .675 4 3 7 12 12 ASN .568 1.271 .984 4 4 8 13 13 ALA .749 .713 .742 4 1 5 14 14 THR .531 .986 .760 4 3 7 15 15 ASP .982 2.045 1.604 4 4 8 16 16 PHE .716 2.030 1.676 4 7 11 17 17 PRO .506 .632 .564 4 3 7 18 18 MET .304 1.533 1.105 4 4 8 19 19 GLU .222 1.740 1.305 4 5 9 20 20 LYS .466 1.196 .944 4 5 9 21 21 LYS .579 .580 .580 4 5 9 22 22 TYR .484 .878 .770 4 8 12 23 23 PRO .381 .403 .391 4 3 7 24 24 ALA .529 1.027 .659 4 1 5 25 25 GLY .470 .000 .470 4 0 4 26 26 MET .318 1.865 1.338 4 4 8 27 27 SER .317 .284 .306 4 2 6 28 28 LEU .216 .675 .501 4 4 8 29 29 ASN .186 .317 .260 4 4 8 30 30 ASP .233 .797 .587 4 4 8 31 31 LEU .391 .795 .626 4 4 8 32 32 LYS .384 .963 .762 4 5 9 33 33 LYS .257 .762 .593 4 5 9 34 34 LYS .478 1.260 .992 4 5 9 35 35 LEU .723 2.077 1.555 4 4 8 36 36 GLU .626 1.519 1.207 4 5 9 37 37 LEU .447 .290 .377 4 4 8 38 38 VAL .881 .889 .884 4 3 7 39 39 VAL 1.060 1.182 1.114 4 3 7 40 40 GLY .801 .000 .801 4 0 4 41 41 THR .950 1.379 1.154 4 3 7 42 42 THR .673 1.497 1.104 4 3 7 43 43 VAL .491 .863 .676 4 3 7 44 44 ASP .527 1.001 .800 4 4 8 45 45 SER .410 .671 .512 4 2 6 46 46 MET .371 1.715 1.241 4 4 8 47 47 ARG .344 2.768 2.217 4 7 11 48 48 ILE .294 .412 .358 4 4 8 49 49 GLN .355 1.318 1.010 4 5 9 50 50 LEU .607 1.005 .830 4 4 8 51 51 PHE .801 1.573 1.345 4 7 11 52 52 ASP .681 1.188 .968 4 4 8 53 53 GLY .676 .000 .676 4 0 4 54 54 ASP 1.762 3.047 2.489 4 4 8 55 55 ASP .879 1.266 1.089 4 4 8 56 56 GLN .640 2.357 1.808 4 5 9 57 57 LEU .867 1.194 1.043 4 4 8 58 58 LYS .674 1.416 1.147 4 5 9 59 59 GLY .411 .000 .411 4 0 4 60 60 GLU .418 .933 .749 4 5 9 61 61 LEU .950 1.371 1.179 4 4 8 62 62 THR .989 1.636 1.306 4 3 7 63 63 ASP .669 1.087 .903 4 4 8 64 64 GLY .402 .000 .402 4 0 4 65 65 ALA .457 .547 .476 4 1 5 66 66 LYS .308 .910 .708 4 5 9 67 67 SER .432 .753 .560 4 2 6 68 68 LEU .681 1.302 1.039 4 4 8 69 69 LYS .582 1.173 .957 4 5 9 70 70 ASP .389 .982 .747 4 4 8 71 71 LEU .718 .472 .607 4 4 8 72 72 GLY 1.276 .000 1.276 4 0 4 73 73 VAL 1.231 1.693 1.447 4 3 7 74 74 ARG 1.126 2.886 2.401 4 7 11 75 75 ASP .509 .907 .736 4 4 8 76 76 GLY .448 .000 .448 4 0 4 77 77 TYR .374 1.289 1.074 4 8 12 78 78 ARG .492 1.396 1.153 4 7 11 79 79 ILE .335 .369 .353 4 4 8 80 80 HIS .364 .397 .384 4 6 10 81 81 ALA .259 .320 .272 4 1 5 82 82 VAL .307 .343 .323 4 3 7 83 83 ASP .362 1.436 1.048 4 4 8 84 84 VAL .471 .962 .723 4 3 7 85 85 THR .752 1.461 1.113 4 3 7 86 86 GLY .794 .000 .794 4 0 4 87 87 GLY .952 .000 .952 4 0 4 88 88 ASN 1.596 1.504 1.551 4 4 8 89 89 GLU 2.873 3.160 3.035 4 5 9 90 90 ASP 4.704 3.999 4.315 3 4 7 ENDMDL Model RMS deviations: .8479 1.5660 1.2467 359 334 693 MODEL 19 1 1 MET 4.332 4.832 4.589 4 4 8 2 2 THR 2.475 2.626 2.541 4 3 7 3 3 GLU 1.350 1.778 1.602 4 5 9 4 4 VAL .946 1.347 1.135 4 3 7 5 5 TYR .509 2.338 1.932 4 8 12 6 6 ASP .475 .858 .694 4 4 8 7 7 LEU .462 1.409 1.049 4 4 8 8 8 GLU .477 .973 .792 4 5 9 9 9 ILE .662 .936 .811 4 4 8 10 10 THR .713 .792 .748 4 3 7 11 11 THR .885 1.496 1.186 4 3 7 12 12 ASN 1.168 1.815 1.526 4 4 8 13 13 ALA 1.751 1.265 1.665 4 1 5 14 14 THR 1.365 2.010 1.672 4 3 7 15 15 ASP 2.172 4.384 3.459 4 4 8 16 16 PHE 1.579 1.516 1.540 4 7 11 17 17 PRO .993 .951 .975 4 3 7 18 18 MET .712 .845 .781 4 4 8 19 19 GLU .811 2.130 1.677 4 5 9 20 20 LYS .802 1.861 1.487 4 5 9 21 21 LYS 1.000 .975 .986 4 5 9 22 22 TYR .712 1.290 1.131 4 8 12 23 23 PRO .547 .797 .666 4 3 7 24 24 ALA .470 .868 .572 4 1 5 25 25 GLY .740 .000 .740 4 0 4 26 26 MET .690 2.199 1.629 4 4 8 27 27 SER .824 .844 .831 4 2 6 28 28 LEU .646 1.080 .890 4 4 8 29 29 ASN .766 .834 .800 4 4 8 30 30 ASP .734 1.285 1.046 4 4 8 31 31 LEU .629 .865 .756 4 4 8 32 32 LYS .850 1.187 1.051 4 5 9 33 33 LYS .644 .578 .608 4 5 9 34 34 LYS .662 1.435 1.157 4 5 9 35 35 LEU .736 2.342 1.736 4 4 8 36 36 GLU .617 1.376 1.105 4 5 9 37 37 LEU .571 .561 .566 4 4 8 38 38 VAL .752 .828 .785 4 3 7 39 39 VAL .884 1.483 1.178 4 3 7 40 40 GLY .701 .000 .701 4 0 4 41 41 THR 1.122 2.517 1.853 4 3 7 42 42 THR .729 1.049 .881 4 3 7 43 43 VAL .485 1.601 1.110 4 3 7 44 44 ASP .439 1.140 .864 4 4 8 45 45 SER .640 .870 .725 4 2 6 46 46 MET .432 1.796 1.306 4 4 8 47 47 ARG .193 3.042 2.429 4 7 11 48 48 ILE .260 .712 .536 4 4 8 49 49 GLN .417 .783 .647 4 5 9 50 50 LEU .344 1.209 .889 4 4 8 51 51 PHE .470 1.568 1.282 4 7 11 52 52 ASP .558 1.506 1.136 4 4 8 53 53 GLY .971 .000 .971 4 0 4 54 54 ASP 1.978 3.335 2.742 4 4 8 55 55 ASP .546 1.236 .956 4 4 8 56 56 GLN .619 2.377 1.819 4 5 9 57 57 LEU .919 1.102 1.014 4 4 8 58 58 LYS .987 2.621 2.061 4 5 9 59 59 GLY .762 .000 .762 4 0 4 60 60 GLU .521 1.280 1.015 4 5 9 61 61 LEU .478 .987 .776 4 4 8 62 62 THR .499 1.038 .777 4 3 7 63 63 ASP .913 .912 .912 4 4 8 64 64 GLY .866 .000 .866 4 0 4 65 65 ALA 1.022 1.295 1.082 4 1 5 66 66 LYS .727 1.488 1.211 4 5 9 67 67 SER .493 .832 .627 4 2 6 68 68 LEU .193 .544 .408 4 4 8 69 69 LYS .379 1.362 1.046 4 5 9 70 70 ASP .486 1.207 .920 4 4 8 71 71 LEU .386 .346 .366 4 4 8 72 72 GLY .334 .000 .334 4 0 4 73 73 VAL .337 .474 .402 4 3 7 74 74 ARG .185 1.182 .949 4 7 11 75 75 ASP .306 .874 .655 4 4 8 76 76 GLY .169 .000 .169 4 0 4 77 77 TYR .429 .963 .824 4 8 12 78 78 ARG .391 1.462 1.190 4 7 11 79 79 ILE .463 .837 .676 4 4 8 80 80 HIS .556 .692 .641 4 6 10 81 81 ALA .643 .752 .666 4 1 5 82 82 VAL .546 .757 .645 4 3 7 83 83 ASP .549 3.203 2.298 4 4 8 84 84 VAL .797 1.058 .918 4 3 7 85 85 THR 1.424 1.790 1.591 4 3 7 86 86 GLY 2.157 .000 2.157 4 0 4 87 87 GLY 2.251 .000 2.251 4 0 4 88 88 ASN 2.552 4.037 3.377 4 4 8 89 89 GLU 5.539 4.575 5.026 4 5 9 90 90 ASP 8.280 9.359 8.913 3 4 7 ENDMDL Model RMS deviations: 1.4025 2.0680 1.7550 359 334 693 MODEL 20 1 1 MET 2.012 3.235 2.694 4 4 8 2 2 THR 1.194 2.494 1.865 4 3 7 3 3 GLU .534 1.491 1.167 4 5 9 4 4 VAL .415 .780 .599 4 3 7 5 5 TYR .450 2.750 2.260 4 8 12 6 6 ASP .286 1.378 .995 4 4 8 7 7 LEU .242 1.346 .967 4 4 8 8 8 GLU .277 1.064 .814 4 5 9 9 9 ILE .358 .572 .477 4 4 8 10 10 THR .336 .476 .402 4 3 7 11 11 THR .309 .466 .384 4 3 7 12 12 ASN .240 .816 .601 4 4 8 13 13 ALA .443 .468 .448 4 1 5 14 14 THR .433 .653 .538 4 3 7 15 15 ASP .659 1.764 1.332 4 4 8 16 16 PHE .720 2.385 1.951 4 7 11 17 17 PRO .558 .674 .610 4 3 7 18 18 MET .539 1.951 1.431 4 4 8 19 19 GLU .505 1.625 1.257 4 5 9 20 20 LYS .704 1.492 1.207 4 5 9 21 21 LYS .867 1.023 .957 4 5 9 22 22 TYR .727 1.142 1.023 4 8 12 23 23 PRO .609 .855 .725 4 3 7 24 24 ALA .328 .209 .308 4 1 5 25 25 GLY .423 .000 .423 4 0 4 26 26 MET .593 1.036 .844 4 4 8 27 27 SER .657 .980 .780 4 2 6 28 28 LEU .507 .818 .680 4 4 8 29 29 ASN .658 .863 .767 4 4 8 30 30 ASP .767 1.535 1.213 4 4 8 31 31 LEU .660 1.461 1.134 4 4 8 32 32 LYS .479 2.126 1.617 4 5 9 33 33 LYS .611 1.358 1.091 4 5 9 34 34 LYS .984 2.726 2.135 4 5 9 35 35 LEU 1.014 .764 .897 4 4 8 36 36 GLU .864 1.666 1.368 4 5 9 37 37 LEU .965 .984 .975 4 4 8 38 38 VAL 1.241 1.322 1.276 4 3 7 39 39 VAL 1.248 1.217 1.235 4 3 7 40 40 GLY 1.123 .000 1.123 4 0 4 41 41 THR .844 .837 .841 4 3 7 42 42 THR .671 1.307 .995 4 3 7 43 43 VAL .655 1.128 .889 4 3 7 44 44 ASP .705 1.519 1.184 4 4 8 45 45 SER .577 .769 .647 4 2 6 46 46 MET .501 1.169 .899 4 4 8 47 47 ARG .263 2.329 1.865 4 7 11 48 48 ILE .366 .470 .421 4 4 8 49 49 GLN .433 1.119 .882 4 5 9 50 50 LEU .325 .735 .568 4 4 8 51 51 PHE .266 .528 .451 4 7 11 52 52 ASP 1.445 1.937 1.709 4 4 8 53 53 GLY 2.335 .000 2.335 4 0 4 54 54 ASP 2.200 2.737 2.483 4 4 8 55 55 ASP 1.920 2.586 2.278 4 4 8 56 56 GLN 1.711 2.501 2.185 4 5 9 57 57 LEU .756 1.013 .894 4 4 8 58 58 LYS .654 2.969 2.256 4 5 9 59 59 GLY .683 .000 .683 4 0 4 60 60 GLU .552 1.325 1.054 4 5 9 61 61 LEU .611 1.604 1.214 4 4 8 62 62 THR .568 1.751 1.224 4 3 7 63 63 ASP .821 1.291 1.082 4 4 8 64 64 GLY .879 .000 .879 4 0 4 65 65 ALA 1.287 1.169 1.264 4 1 5 66 66 LYS .919 .935 .928 4 5 9 67 67 SER .629 .703 .655 4 2 6 68 68 LEU .377 1.473 1.075 4 4 8 69 69 LYS .801 2.066 1.630 4 5 9 70 70 ASP .754 1.359 1.099 4 4 8 71 71 LEU .549 .652 .603 4 4 8 72 72 GLY .717 .000 .717 4 0 4 73 73 VAL .691 .548 .633 4 3 7 74 74 ARG .679 2.418 1.972 4 7 11 75 75 ASP .394 .841 .657 4 4 8 76 76 GLY .562 .000 .562 4 0 4 77 77 TYR .158 .903 .743 4 8 12 78 78 ARG .185 1.684 1.348 4 7 11 79 79 ILE .285 .399 .347 4 4 8 80 80 HIS .343 .339 .341 4 6 10 81 81 ALA .249 .238 .247 4 1 5 82 82 VAL .191 .144 .172 4 3 7 83 83 ASP .349 1.322 .967 4 4 8 84 84 VAL .656 .706 .678 4 3 7 85 85 THR .797 1.432 1.115 4 3 7 86 86 GLY .677 .000 .677 4 0 4 87 87 GLY .576 .000 .576 4 0 4 88 88 ASN 1.440 2.442 2.005 4 4 8 89 89 GLU 1.055 1.688 1.442 4 5 9 90 90 ASP 1.618 2.652 2.267 3 4 7 ENDMDL Model RMS deviations: .8352 1.6069 1.2672 359 334 693 ALL MODELS 1 1 MET 2.710 3.889 3.352 80 80 160 2 2 THR 1.678 2.772 2.214 80 60 140 3 3 GLU .740 2.018 1.583 80 100 180 4 4 VAL .586 .714 .644 80 60 140 5 5 TYR .556 2.910 2.398 80 160 240 6 6 ASP .525 1.659 1.231 80 80 160 7 7 LEU .523 1.183 .915 80 80 160 8 8 GLU .484 1.126 .899 80 100 180 9 9 ILE .526 .728 .635 80 80 160 10 10 THR .564 .895 .725 80 60 140 11 11 THR .555 .867 .706 80 60 140 12 12 ASN .735 1.533 1.202 80 80 160 13 13 ALA .967 1.113 .998 80 20 100 14 14 THR .856 1.225 1.030 80 60 140 15 15 ASP 1.126 2.264 1.788 80 80 160 16 16 PHE .934 2.676 2.208 80 140 220 17 17 PRO .756 .940 .840 80 60 140 18 18 MET .659 2.188 1.616 80 80 160 19 19 GLU .695 1.769 1.398 80 100 180 20 20 LYS .650 1.821 1.425 80 100 180 21 21 LYS .740 1.365 1.131 80 100 180 22 22 TYR .627 1.335 1.148 80 160 240 23 23 PRO .557 .673 .609 80 60 140 24 24 ALA .510 .793 .578 80 20 100 25 25 GLY .486 .000 .486 80 0 80 26 26 MET .478 1.664 1.224 80 80 160 27 27 SER .512 .714 .587 80 40 120 28 28 LEU .502 1.076 .840 80 80 160 29 29 ASN .570 1.020 .826 80 80 160 30 30 ASP .563 1.108 .879 80 80 160 31 31 LEU .566 1.050 .844 80 80 160 32 32 LYS .612 1.324 1.068 80 100 180 33 33 LYS .604 1.317 1.061 80 100 180 34 34 LYS .675 1.704 1.348 80 100 180 35 35 LEU .717 1.064 .907 80 80 160 36 36 GLU .693 1.884 1.478 80 100 180 37 37 LEU .754 .778 .766 80 80 160 38 38 VAL .896 1.001 .942 80 60 140 39 39 VAL .916 1.013 .959 80 60 140 40 40 GLY .871 .000 .871 80 0 80 41 41 THR .856 1.293 1.065 80 60 140 42 42 THR .775 1.353 1.062 80 60 140 43 43 VAL .778 1.263 1.014 80 60 140 44 44 ASP .877 1.706 1.356 80 80 160 45 45 SER .665 .848 .731 80 40 120 46 46 MET .660 1.686 1.280 80 80 160 47 47 ARG .495 2.304 1.862 80 140 220 48 48 ILE .511 .968 .774 80 80 160 49 49 GLN .481 1.253 .988 80 100 180 50 50 LEU .496 .864 .705 80 80 160 51 51 PHE .581 1.067 .921 80 140 220 52 52 ASP 1.300 1.963 1.665 80 80 160 53 53 GLY 2.073 .000 2.073 80 0 80 54 54 ASP 2.030 2.999 2.561 80 80 160 55 55 ASP 1.777 2.918 2.416 80 80 160 56 56 GLN 1.021 2.439 1.941 80 100 180 57 57 LEU .945 1.146 1.050 80 80 160 58 58 LYS 1.039 1.781 1.497 80 100 180 59 59 GLY .911 .000 .911 80 0 80 60 60 GLU .751 1.464 1.201 80 100 180 61 61 LEU .886 1.799 1.418 80 80 160 62 62 THR 1.160 2.027 1.590 80 60 140 63 63 ASP 1.007 1.427 1.235 80 80 160 64 64 GLY .712 .000 .712 80 0 80 65 65 ALA .871 .964 .891 80 20 100 66 66 LYS .678 1.295 1.066 80 100 180 67 67 SER .520 .818 .635 80 40 120 68 68 LEU .470 .967 .760 80 80 160 69 69 LYS .594 1.489 1.178 80 100 180 70 70 ASP .651 1.178 .952 80 80 160 71 71 LEU .577 .550 .564 80 80 160 72 72 GLY .710 .000 .710 80 0 80 73 73 VAL .786 .698 .750 80 60 140 74 74 ARG .637 2.606 2.114 80 140 220 75 75 ASP .570 1.422 1.083 80 80 160 76 76 GLY .551 .000 .551 80 0 80 77 77 TYR .406 1.071 .905 80 160 240 78 78 ARG .410 1.721 1.395 80 140 220 79 79 ILE .429 .662 .558 80 80 160 80 80 HIS .451 .522 .495 80 120 200 81 81 ALA .488 .581 .508 80 20 100 82 82 VAL .538 .603 .567 80 60 140 83 83 ASP .640 1.618 1.230 80 80 160 84 84 VAL .765 1.216 .984 80 60 140 85 85 THR 1.051 1.601 1.315 80 60 140 86 86 GLY 1.548 .000 1.548 80 0 80 87 87 GLY 1.727 .000 1.727 80 0 80 88 88 ASN 1.815 2.537 2.206 80 80 160 89 89 GLU 3.431 3.749 3.611 80 100 180 90 90 ASP 5.141 6.524 5.971 60 80 140 ENDMDL Overall RMS deviation: 1.0700 1.8589 1.5028 7180 6680 13860