Upper HN THR 14 - HN ASP- 15 2.77 20 1.56 1.57 ++++++++++++*+++++++ Upper HN THR 11 - HN ASN 12 3.52 20 0.87 0.87 ++++++*+++++++++++++ Upper HN ASP- 6 - HN TYR 77 3.05 20 0.83 1.16 +++++++++++++++++++* Upper HN GLU- 19 - HN LYS+ 20 3.58 20 0.81 0.94 ++++++*+++++++++++++ Upper HB2 LEU 37 - HN VAL 38 3.64 20 0.80 0.84 +++++++++++*++++++++ Upper HN LEU 35 - HB VAL 38 3.49 20 0.69 0.76 +++++++++++++++*++++ Upper HN TYR 77 - HN ARG+ 78 3.95 20 0.66 0.69 ++++*+++++++++++++++ Upper HN THR 2 - HN GLU- 3 3.64 20 0.66 0.67 +++++++*++++++++++++ Upper HA LYS+ 34 - HN GLU- 36 3.08 20 0.66 0.74 ++++++*+++++++++++++ Upper HA MET 46 - HN VAL 82 3.14 20 0.65 0.75 +++++++++++++++++*++ Upper HN LEU 35 - HA GLU- 36 4.26 20 0.64 0.67 +++++++++++++*++++++ Upper HN ILE 48 - HA GLN 49 4.07 20 0.64 0.68 +++++++++++++++*++++ Upper HN MET 26 - HN SER 27 4.04 20 0.60 0.62 ++++++++++++*+++++++ Upper HN LYS+ 109 - HN ARG+ 110 3.73 20 0.59 0.81 +++++++++++*++++++++ Upper HA LEU 61 - HN THR 62 2.87 20 0.58 0.75 ++++++++++++++++++*+ Upper HG LEU 50 - HN TYR 77 5.10 19 0.50 1.01 ++++++ +++*+++++++++ Upper HN TYR 22 - HA PRO 23 4.32 20 0.49 0.57 ++++++++*+++++++++++ Upper HN LYS+ 20 - HN LYS+ 21 3.89 20 0.49 0.56 +++++++*++++++++++++ Upper HN LEU 61 - HA THR 62 4.63 20 0.46 0.60 +++++++++++++++++*++ Upper HN VAL 38 - HB VAL 39 4.11 20 0.44 0.48 +++++++++++++++++++* Upper HN GLU- 19 - HB3 GLU- 19 3.08 20 0.44 0.59 ++++++*+++++++++++++ Upper HA ASP- 63 - HN LYS+ 66 4.01 17 0.44 0.60 ++++++++ +++ +++++ * Upper HN THR 42 - HN VAL 43 4.07 19 0.42 0.52 +*+++++++++++ ++++++ Upper HN LYS+ 66 - HN SER 67 3.95 20 0.42 0.46 +*++++++++++++++++++ Upper HN ASP- 63 - HB3 ASP- 63 3.02 17 0.41 0.61 + +++++ ++++++*++++ Upper HN GLN 56 - HB3 GLN 56 3.33 19 0.39 0.53 +*+++++++++++++++++ Upper HB THR 14 - HN ASP- 15 3.11 20 0.39 0.43 ++++++*+++++++++++++ Upper HA GLN 56 - HB2 LEU 57 4.17 20 0.37 0.44 ++++++++++++++*+++++ Upper HN GLU- 36 - HG2 GLU- 36 4.04 20 0.35 0.39 ++++++++++++++*+++++ Upper HN ASP- 75 - HN GLY 76 4.04 19 0.35 0.51 +++++++++++*++++++ + Upper HB2 LYS+ 20 - HN LYS+ 21 3.92 18 0.35 0.50 ++++++++ *++++++++ + Upper HA GLN 56 - HB3 LEU 57 4.17 20 0.35 0.43 ++++++*+++++++++++++ Upper HA ASP- 70 - HN LEU 71 3.21 20 0.35 0.39 ++*+++++++++++++++++ Upper HA LYS+ 34 - HN LEU 37 3.08 20 0.34 0.38 ++++++++*+++++++++++ Upper HA ILE 48 - HN VAL 82 3.76 20 0.34 0.50 +++++++++*++++++++++ Upper HN ASP- 112 - HA SER 113 3.30 20 0.33 0.36 ++*+++++++++++++++++ Upper HA THR 10 - HN ALA 81 4.23 19 0.33 0.42 ++++++ +++++++*+++++ Upper HA LEU 7 - HN GLY 76 3.86 15 0.33 0.64 ++++ +*+++++ ++ ++ Upper HN SER 67 - HN LYS+ 69 4.38 18 0.32 0.53 ++++++++++++++++*+ Upper HA ARG+ 78 - HB ILE 79 3.80 18 0.32 0.58 +++++++ +++++++++* + Upper HB THR 62 - HN ASP- 63 3.76 18 0.31 0.75 ++++ +++++++++++*+ + Upper HB3 ASP- 6 - HN LEU 7 3.92 13 0.31 0.57 ++++++ ++ +* + ++ Upper HN GLU- 98 - HA LYS+ 99 3.42 20 0.30 0.34 +++++++++++++++*++++ Upper HA ASP- 63 - HA1 GLY 64 4.26 20 0.30 0.49 ++++++++++++*+++++++ Upper HA ASN 29 - HN ASP- 30 3.27 20 0.30 0.33 +*++++++++++++++++++ Upper HN GLN 49 - HA ILE 79 3.83 17 0.29 0.45 ++ ++++++++ +++ +*++ Upper HN ARG+ 47 - HA ALA 81 3.83 19 0.29 0.40 +++++++++*+++ ++++++ Upper HA VAL 38 - HN VAL 39 3.27 20 0.29 0.30 +++++++++++++++++*++ Upper HN LEU 35 - HB3 GLU- 36 4.66 20 0.28 0.40 ++++++*+++++++++++++ Upper HA LEU 68 - HN ASP- 70 3.83 15 0.28 0.38 +++ ++++++ + + ++*+ Upper HN GLU- 36 - HG3 GLU- 36 4.04 20 0.27 0.32 +++++++++++++*++++++ Upper HN GLU- 19 - HB2 GLU- 19 3.08 16 0.27 0.47 ++++++ +++ ++++*++ Upper HA2 GLY 25 - HA SER 67 4.51 15 0.27 0.41 + +++++ +++ ++*++ + Upper HN VAL 4 - HB VAL 4 3.14 17 0.26 0.41 ++ +++++++++ +++++* Upper HN GLY 59 - HN GLU- 60 4.11 19 0.26 0.31 ++++*++++++++++++ ++ Upper HB3 LEU 68 - HN LYS+ 69 3.61 15 0.26 0.48 +++++++++++ ++ +* Upper HN MET 46 - HN ARG+ 47 4.11 20 0.25 0.35 +++++++++++++*++++++ Upper HN LEU 37 - HB2 LEU 37 3.05 20 0.25 0.27 +++++++++++++++++++* Upper HN SER 27 - HN LEU 28 4.14 17 0.24 0.34 ++ ++++++++ +++ +++* Upper HA THR 11 - HB THR 11 2.68 19 0.24 0.27 ++++++++++ +++++*+++ Upper HN GLU- 3 - HA GLU- 3 2.40 20 0.23 0.30 +*++++++++++++++++++ Upper HN ALA 65 - HG LEU 71 5.50 12 0.23 0.39 *+ +++++ + ++++ Upper HB2 GLN 56 - HN LEU 57 3.92 11 0.23 0.47 +++ +*+ + + +++ Upper HA THR 85 - HN GLY 86 3.05 20 0.23 0.26 +++++++++*++++++++++ Upper HA MET 26 - HB3 MET 26 2.80 19 0.23 0.27 +*++++++ +++++++++++ Upper HB ILE 9 - HN THR 10 3.83 10 0.22 0.37 + + +++*+ ++ + Upper HA ASP- 63 - HA2 GLY 64 4.26 15 0.22 0.27 + +++++ *++ +++++ + Upper HA2 GLY 64 - HN LYS+ 66 4.32 16 0.22 0.29 +++++ +++ ++ ++++* + Upper HN THR 11 - HB THR 11 3.21 10 0.21 0.33 + ++ +* +++ ++ Upper HN LEU 50 - HN LEU 61 3.89 10 0.21 0.34 + ++ + + + +*++ Upper HN LEU 37 - HN VAL 39 3.70 14 0.21 0.23 ++ +*+++++ + + +++ Upper HG LEU 50 - HA ILE 79 4.32 11 0.21 0.48 ++ +++ + * ++++ Upper HB THR 41 - HN THR 42 3.11 7 0.21 0.66 + + + + * + + Upper HA VAL 39 - HN THR 41 3.86 14 0.21 0.28 + + +++ ++ +++*+++ Upper HB VAL 4 - HN TYR 5 3.24 8 0.20 0.30 + ++ +++ + * Upper HB2 ASP- 6 - HN LEU 7 3.92 10 0.20 0.56 ++++++ *+ + + Upper HN VAL 4 - HN ALA 24 3.95 7 0.19 0.28 + + ++++* Upper HN HIS 80 - HN ALA 81 4.20 9 0.19 0.27 + + + ++ * + ++ Upper HB VAL 38 - HN VAL 39 2.83 7 0.19 0.23 + +*+ ++ + Upper HB2 SER 45 - HN MET 46 3.98 7 0.19 0.25 + + + ++ +* Upper HB2 ASP- 52 - HN GLY 53 3.33 11 0.19 0.44 + + + +++*+ ++ + Upper HB2 ARG+ 74 - HN ASP- 75 3.11 8 0.19 0.33 * + + + ++ + + Upper HA LYS+ 33 - HN GLU- 36 3.18 8 0.19 0.25 + ++++ * ++ Upper HA ASP- 6 - HN LYS+ 21 4.38 11 0.19 0.28 ++* + ++++ + + + Upper HN MET 18 - HN GLU- 19 4.07 3 0.18 0.33 * ++ Upper HN GLY 53 - HA TYR 77 4.35 5 0.18 0.41 + * + ++ Upper HN GLY 25 - HA MET 26 4.23 10 0.18 0.30 + ++++ + * + + + Upper HN ASP- 54 - HB3 ASP- 54 3.30 9 0.18 0.51 *++ ++ + + + + Upper HN ALA 13 - HA ALA 13 2.74 1 0.18 0.20 * Upper HB3 ASP- 52 - QE TYR 77 7.63 6 0.18 0.66 ++ + * ++ Upper HB2 GLU- 36 - HN LEU 37 3.49 8 0.18 0.23 +++ ++ + + * Upper HN THR 10 - HN ILE 79 4.11 5 0.17 0.26 + + + *+ Upper HN LEU 7 - HB3 LEU 7 3.45 6 0.17 0.29 + ++ +*+ Upper HN GLY 53 - HN ASP- 55 3.95 7 0.17 0.44 +* ++ + + + Upper HN ALA 24 - HN MET 26 4.01 5 0.17 0.61 + + + + * Upper HB2 MET 46 - HN ARG+ 47 4.07 6 0.17 0.23 + + + + * + Upper HA THR 41 - HB THR 41 2.83 14 0.17 0.24 +++ ++ + ++ + + ++*+ Upper HA PHE 51 - HN GLN 56 4.20 5 0.17 0.34 + + + *+ Upper HN VAL 82 - HN ASP- 83 4.07 1 0.16 0.24 * Upper HG LEU 50 - QB ASP- 52 5.95 11 0.16 0.39 + +++++ + + ++ * Upper HG LEU 50 - HA VAL 73 3.92 6 0.16 0.38 + +* ++ + Upper HB THR 11 - HN ASN 12 2.80 1 0.16 0.21 * Upper HB2 ASP- 63 - HN GLY 64 3.95 7 0.16 0.31 ++ + + *++ Upper HA ASP- 75 - HB3 ASP- 75 2.83 11 0.16 0.22 ++ +++ + + *++ + Upper HB2 LEU 28 - HN ASN 29 3.45 3 0.15 0.40 + * + Upper HA ILE 9 - HN ILE 79 3.55 7 0.15 0.27 + *+ + +++ Upper HA GLU- 36 - QG2 THR 41 4.95 7 0.15 0.35 + + + ++ * + Upper HN LYS+ 69 - HB3 ASP- 70 4.97 1 0.14 0.25 * Upper HN LYS+ 66 - HB3 LYS+ 66 3.14 8 0.14 0.47 * ++ + + + + + Upper HN LEU 28 - HN LYS+ 66 4.23 6 0.14 0.25 + *+ + + + Upper HN ILE 48 - HN LEU 61 4.38 5 0.14 0.25 + + + +* Upper HN GLY 53 - QB GLN 56 4.02 5 0.14 0.34 + ++ +* Upper HN ASP- 6 - HB3 ASP- 6 3.14 7 0.14 0.48 + ++ *+ ++ Upper HB3 PHE 16 - HD3 PRO 17 4.29 7 0.14 0.43 + + + ++*+ Upper HB3 HIS 80 - HN ALA 81 4.23 3 0.14 0.20 + +* Upper HB ILE 79 - HN HIS 80 4.26 2 0.13 0.23 + * Upper HB3 ARG+ 74 - HN TYR 77 4.85 4 0.13 0.27 + * + + Upper HB2 PHE 16 - HD3 PRO 17 4.29 7 0.13 0.30 + + + +*++ Upper HN VAL 97 - HN GLU- 98 3.76 6 0.12 0.45 + + + ++ * Upper HN LYS+ 34 - HB3 LYS+ 34 2.93 1 0.12 0.22 * Upper HN LEU 68 - HG LEU 68 2.99 3 0.12 0.64 + + * Upper HA LEU 50 - HN HIS 80 3.98 2 0.12 0.25 + * Upper HN TYR 5 - HN ALA 24 3.83 3 0.11 0.24 + * + Upper HN LYS+ 34 - HG2 LYS+ 34 4.29 4 0.11 0.27 + + *+ Upper HB3 ASN 12 - HN ALA 13 4.04 1 0.11 0.21 * Upper HB2 MET 26 - HN SER 27 3.80 2 0.11 0.21 + * Upper HA VAL 97 - HN GLU- 98 2.62 6 0.11 0.41 * + + ++ + Upper QE TYR 5 - HN ASP- 75 7.63 6 0.10 0.30 + +* +++ Upper HN LYS+ 66 - HB2 LYS+ 66 3.14 6 0.10 0.39 ++ + + + * Upper HN ASP- 75 - HB3 ASP- 75 3.08 5 0.10 0.59 + * + + + Upper HN ASP- 54 - HN GLN 56 3.30 3 0.10 0.36 * + + Upper HB3 ASP- 63 - HN GLY 64 3.95 2 0.10 0.20 + * Upper HA THR 41 - HN THR 42 2.74 6 0.10 0.63 + + + + * + Upper HN LYS+ 66 - HG2 LYS+ 66 4.54 3 0.09 0.21 * + + Upper HN LEU 7 - HA LYS+ 20 4.82 3 0.09 0.25 + + * Upper HB2 PHE 51 - HN ASP- 52 4.29 4 0.09 0.26 ++ + * Upper HA TYR 5 - HN ASP- 75 4.35 2 0.09 0.21 * + Upper HA ASP- 52 - HN GLY 53 3.30 7 0.09 0.28 * ++ + + ++ Upper HA ALA 24 - HN LYS+ 69 3.61 2 0.09 0.26 * + Upper HN SER 27 - HN ASP- 30 3.92 1 0.08 0.24 * Upper HN ASP- 63 - HN GLY 64 4.29 5 0.08 0.34 + ++ + * Upper HN ASP- 105 - HN THR 106 3.58 5 0.08 0.37 *+ + + + Upper HB3 ASP- 52 - HN GLY 53 3.33 3 0.08 0.47 + * + Upper HN VAL 84 - HB VAL 84 3.30 1 0.07 0.21 * Upper HN SER 45 - HN VAL 84 4.88 1 0.07 0.21 * Upper HN PHE 51 - HA LEU 57 4.85 1 0.07 0.23 * Upper HN LYS+ 20 - HB3 LYS+ 20 3.36 2 0.07 0.24 * + Upper HN ASP- 54 - HN ASP- 55 2.87 2 0.07 0.28 + * Upper HG3 GLN 56 - HN LEU 57 5.16 2 0.07 0.45 + * Upper HB3 GLN 49 - HB2 HIS 80 5.50 2 0.07 0.47 * + Upper HA THR 62 - HB THR 62 2.71 2 0.07 0.32 + * Upper HA MET 26 - HN SER 27 2.52 1 0.07 0.30 * Upper HN ASP- 75 - HB2 ASP- 75 3.08 2 0.06 0.37 + * Upper HN ASP- 55 - HA ASP- 55 2.62 1 0.06 0.22 * Upper HB3 LYS+ 58 - HN GLY 59 3.36 1 0.06 0.58 * Upper HB2 LYS+ 58 - HN GLY 59 3.36 2 0.06 0.61 *+ Upper HB2 LEU 7 - HN GLU- 8 3.73 4 0.06 0.32 +* + + Upper HA PHE 51 - HN LEU 57 4.66 1 0.06 0.21 * Upper HN ASP- 90 - HB2 ASP- 90 3.21 1 0.05 0.24 * Upper HN ASP- 63 - HB2 ASP- 63 3.02 1 0.05 0.20 * Upper HG2 MET 26 - HN LEU 31 4.94 1 0.05 0.25 * Upper HB2 ASP- 63 - HN ALA 65 4.63 3 0.05 0.37 + *+ Upper HB2 ASP- 52 - QE TYR 77 7.63 2 0.05 0.24 + * Upper HA LEU 68 - HG LEU 71 3.80 2 0.05 0.24 * + Upper HA ARG+ 74 - HN ASP- 75 2.74 1 0.05 0.32 * Upper HA ALA 24 - HG LEU 68 4.01 1 0.05 0.42 * Upper QB GLU- 19 - HN LYS+ 21 5.67 1 0.04 0.21 * Upper HN THR 42 - HB THR 42 3.55 1 0.04 0.32 * Upper HN LEU 61 - HG LEU 61 3.73 3 0.04 0.27 + * + Upper HN ASP- 75 - QB ASP- 75 2.82 2 0.04 0.21 + * Upper HN ASP- 6 - HB3 ASP- 75 4.11 1 0.04 0.34 * Upper HG LEU 50 - QD1 ILE 79 3.74 1 0.04 0.46 * Upper HB VAL 43 - HN ASP- 44 3.18 1 0.04 0.22 * Upper HB2 LEU 35 - HN GLU- 36 4.01 2 0.04 0.45 * + Upper HB2 GLN 49 - HB2 HIS 80 5.50 2 0.04 0.33 + * Upper HB2 ASP- 63 - HN LYS+ 66 4.11 3 0.04 0.33 + *+ Upper HB2 ASP- 54 - HE22 GLN 56 7.23 1 0.04 0.26 * Upper HA GLN 49 - HB3 LEU 50 4.66 1 0.04 0.25 * Upper HA ASP- 75 - HN TYR 77 3.49 1 0.04 0.63 * Upper QG LYS+ 66 - HN ASP- 70 5.61 1 0.03 0.30 * Upper HN LYS+ 69 - HN GLY 72 4.73 1 0.03 0.27 * Upper HN LYS+ 21 - HB2 LYS+ 21 2.93 1 0.03 0.48 * Upper HN GLN 56 - HG2 GLN 56 3.83 1 0.03 0.24 * Upper HN ASP- 52 - HB2 ASP- 52 3.33 1 0.03 0.35 * Upper HN ASP- 52 - HA LEU 57 3.95 2 0.03 0.26 * + Upper HB3 TYR 5 - QD1 LEU 7 5.60 1 0.03 0.21 * Upper HA LYS+ 69 - HN VAL 73 3.73 1 0.03 0.25 * Upper HA ASP- 105 - HN THR 106 3.18 1 0.03 0.40 * Upper QE TYR 5 - HN ASP- 70 7.63 1 0.02 0.22 * Upper QE PHE 51 - HN LEU 57 7.62 1 0.02 0.22 * Upper HN LYS+ 21 - HB3 LYS+ 21 2.93 1 0.02 0.46 * Upper HN ASP- 52 - HB3 ASP- 52 3.33 1 0.02 0.23 * Upper HN ALA 24 - HN GLY 25 3.11 1 0.02 0.30 * Upper HG LEU 7 - HN TYR 77 5.50 1 0.02 0.34 * Upper HG3 MET 26 - HN LEU 31 4.94 1 0.02 0.21 * Upper HG2 GLN 49 - HN LEU 50 4.60 2 0.02 0.27 * + Upper HB3 PHE 51 - HN ASP- 52 4.29 1 0.02 0.23 * Upper HB3 ASP- 83 - HN VAL 84 3.92 2 0.02 0.23 + * Upper HB2 TYR 5 - QD1 LEU 7 5.60 1 0.02 0.21 * Upper HB2 ASP- 83 - HN VAL 84 3.92 2 0.02 0.27 * + Upper HA TYR 100 - HN GLU- 101 2.68 1 0.02 0.47 * Upper HA PHE 51 - HG3 LYS+ 58 5.47 1 0.02 0.33 * Upper HA GLU- 3 - HN ALA 24 4.45 1 0.02 0.23 * Upper QG2 THR 10 - HN THR 14 6.53 1 0.01 0.27 * Upper HN LEU 50 - QB LYS+ 58 4.99 1 0.01 0.23 * Upper HG LEU 68 - HB VAL 73 5.50 1 0.01 0.20 * Upper HB3 TYR 100 - HN GLU- 101 3.83 1 0.01 0.21 * Upper HA ASP- 75 - HB2 ASP- 75 2.83 1 0.01 0.21 * Cutoffs: Upper distance limits : 0.20 A