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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
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389449 |
1nmv ![]() ![]() |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nmv save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 1255 _Distance_constraint_stats_list.Viol_count 1067 _Distance_constraint_stats_list.Viol_total 301.983 _Distance_constraint_stats_list.Viol_max 0.268 _Distance_constraint_stats_list.Viol_rms 0.0119 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0024 _Distance_constraint_stats_list.Viol_average_violations_only 0.0283 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ALA 0.000 0.000 . 0 "[ . 1]" 1 3 ASP 0.000 0.000 . 0 "[ . 1]" 1 4 GLU 0.582 0.199 6 0 "[ . 1]" 1 5 GLU 0.878 0.199 6 0 "[ . 1]" 1 6 LYS 0.640 0.194 8 0 "[ . 1]" 1 7 LEU 0.394 0.110 7 0 "[ . 1]" 1 8 PRO 0.719 0.143 7 0 "[ . 1]" 1 9 PRO 0.552 0.075 9 0 "[ . 1]" 1 10 GLY 0.000 0.000 . 0 "[ . 1]" 1 11 TRP 0.842 0.075 9 0 "[ . 1]" 1 12 GLU 0.568 0.061 3 0 "[ . 1]" 1 13 LYS 0.425 0.061 3 0 "[ . 1]" 1 14 ARG 0.092 0.048 5 0 "[ . 1]" 1 15 MET 0.311 0.134 5 0 "[ . 1]" 1 16 SER 0.167 0.041 10 0 "[ . 1]" 1 17 ARG 0.149 0.045 10 0 "[ . 1]" 1 18 SER 0.001 0.001 5 0 "[ . 1]" 1 19 SER 0.102 0.041 10 0 "[ . 1]" 1 20 GLY 0.012 0.012 5 0 "[ . 1]" 1 21 ARG 0.177 0.134 5 0 "[ . 1]" 1 22 VAL 0.119 0.042 7 0 "[ . 1]" 1 23 TYR 0.294 0.053 6 0 "[ . 1]" 1 24 TYR 0.885 0.091 7 0 "[ . 1]" 1 25 PHE 0.780 0.091 7 0 "[ . 1]" 1 26 ASN 0.473 0.067 9 0 "[ . 1]" 1 27 HIS 0.826 0.067 7 0 "[ . 1]" 1 28 ILE 0.116 0.021 4 0 "[ . 1]" 1 29 THR 0.101 0.021 4 0 "[ . 1]" 1 30 ASN 0.518 0.067 7 0 "[ . 1]" 1 31 ALA 0.107 0.029 3 0 "[ . 1]" 1 32 SER 0.157 0.053 6 0 "[ . 1]" 1 33 GLN 0.667 0.268 10 0 "[ . 1]" 1 34 TRP 0.523 0.095 8 0 "[ . 1]" 1 35 GLU 0.308 0.095 8 0 "[ . 1]" 1 36 ARG 0.258 0.101 4 0 "[ . 1]" 1 37 PRO 0.377 0.101 4 0 "[ . 1]" 1 38 SER 1.008 0.143 7 0 "[ . 1]" 1 39 GLY 0.348 0.117 5 0 "[ . 1]" 1 40 ASN 0.291 0.134 2 0 "[ . 1]" 1 47 ASN 0.073 0.051 8 0 "[ . 1]" 1 48 GLY 0.073 0.051 8 0 "[ . 1]" 1 49 GLN 0.165 0.165 9 0 "[ . 1]" 1 50 GLY 0.165 0.165 9 0 "[ . 1]" 1 52 PRO 0.096 0.048 8 0 "[ . 1]" 1 53 ALA 0.061 0.048 8 0 "[ . 1]" 1 54 ARG 0.483 0.056 10 0 "[ . 1]" 1 55 VAL 0.062 0.014 3 0 "[ . 1]" 1 56 ARG 0.420 0.075 2 0 "[ . 1]" 1 57 CYS 0.121 0.026 8 0 "[ . 1]" 1 58 SER 0.219 0.017 1 0 "[ . 1]" 1 59 HIS 0.346 0.035 8 0 "[ . 1]" 1 60 LEU 1.207 0.111 6 0 "[ . 1]" 1 61 LEU 0.484 0.150 5 0 "[ . 1]" 1 62 VAL 0.989 0.079 9 0 "[ . 1]" 1 63 LYS 0.695 0.074 10 0 "[ . 1]" 1 64 HIS 1.406 0.264 4 0 "[ . 1]" 1 65 SER 0.007 0.007 9 0 "[ . 1]" 1 66 GLN 0.220 0.031 5 0 "[ . 1]" 1 67 SER 0.436 0.064 4 0 "[ . 1]" 1 68 ARG 0.093 0.046 9 0 "[ . 1]" 1 69 ARG 0.175 0.031 4 0 "[ . 1]" 1 70 PRO 0.776 0.064 4 0 "[ . 1]" 1 71 SER 0.152 0.036 7 0 "[ . 1]" 1 72 SER 0.040 0.015 6 0 "[ . 1]" 1 73 TRP 0.736 0.047 6 0 "[ . 1]" 1 74 ARG 0.137 0.038 6 0 "[ . 1]" 1 75 GLN 0.246 0.052 3 0 "[ . 1]" 1 76 GLU 0.246 0.052 3 0 "[ . 1]" 1 77 LYS 0.000 0.000 . 0 "[ . 1]" 1 78 ILE 0.360 0.060 4 0 "[ . 1]" 1 79 THR 0.021 0.012 8 0 "[ . 1]" 1 80 ARG 0.429 0.264 4 0 "[ . 1]" 1 81 THR 0.013 0.007 4 0 "[ . 1]" 1 82 LYS 0.000 0.000 . 0 "[ . 1]" 1 83 GLU 0.012 0.009 8 0 "[ . 1]" 1 84 GLU 0.110 0.035 8 0 "[ . 1]" 1 85 ALA 0.107 0.044 5 0 "[ . 1]" 1 86 LEU 0.254 0.038 4 0 "[ . 1]" 1 87 GLU 0.015 0.006 10 0 "[ . 1]" 1 88 LEU 0.056 0.044 5 0 "[ . 1]" 1 89 ILE 1.555 0.175 6 0 "[ . 1]" 1 90 ASN 0.416 0.051 7 0 "[ . 1]" 1 91 GLY 0.047 0.013 3 0 "[ . 1]" 1 92 TYR 0.508 0.052 5 0 "[ . 1]" 1 93 ILE 0.420 0.051 7 0 "[ . 1]" 1 94 GLN 0.046 0.013 3 0 "[ . 1]" 1 95 LYS 0.009 0.009 1 0 "[ . 1]" 1 96 ILE 0.198 0.033 6 0 "[ . 1]" 1 97 LYS 0.000 0.000 . 0 "[ . 1]" 1 98 SER 0.000 0.000 . 0 "[ . 1]" 1 99 GLY 0.000 0.000 . 0 "[ . 1]" 1 100 GLU 0.000 0.000 . 0 "[ . 1]" 1 101 GLU 0.310 0.115 7 0 "[ . 1]" 1 102 ASP 0.606 0.079 2 0 "[ . 1]" 1 103 PHE 1.115 0.092 1 0 "[ . 1]" 1 104 GLU 0.086 0.032 1 0 "[ . 1]" 1 105 SER 0.017 0.017 5 0 "[ . 1]" 1 106 LEU 0.726 0.079 2 0 "[ . 1]" 1 107 ALA 1.904 0.099 8 0 "[ . 1]" 1 108 SER 0.499 0.066 5 0 "[ . 1]" 1 109 GLN 0.511 0.075 1 0 "[ . 1]" 1 110 PHE 0.680 0.075 1 0 "[ . 1]" 1 111 SER 0.865 0.089 1 0 "[ . 1]" 1 112 ASP 0.526 0.079 9 0 "[ . 1]" 1 113 CYS 0.452 0.150 5 0 "[ . 1]" 1 114 SER 0.063 0.015 2 0 "[ . 1]" 1 115 SER 0.352 0.047 6 0 "[ . 1]" 1 116 ALA 0.819 0.085 9 0 "[ . 1]" 1 117 LYS 0.014 0.008 4 0 "[ . 1]" 1 118 ALA 0.016 0.008 4 0 "[ . 1]" 1 119 ARG 0.482 0.066 5 0 "[ . 1]" 1 120 GLY 0.295 0.055 8 0 "[ . 1]" 1 121 ASP 0.000 0.000 . 0 "[ . 1]" 1 122 LEU 0.030 0.011 2 0 "[ . 1]" 1 123 GLY 0.028 0.011 2 0 "[ . 1]" 1 124 ALA 0.026 0.009 3 0 "[ . 1]" 1 125 PHE 1.052 0.122 2 0 "[ . 1]" 1 126 SER 1.031 0.122 2 0 "[ . 1]" 1 127 ARG 0.414 0.056 10 0 "[ . 1]" 1 128 GLY 0.243 0.043 10 0 "[ . 1]" 1 129 GLN 0.238 0.043 10 0 "[ . 1]" 1 130 MET 0.020 0.014 5 0 "[ . 1]" 1 131 GLN 0.180 0.043 2 0 "[ . 1]" 1 132 LYS 0.327 0.049 3 0 "[ . 1]" 1 133 PRO 0.256 0.038 3 0 "[ . 1]" 1 134 PHE 1.097 0.104 3 0 "[ . 1]" 1 135 GLU 1.496 0.104 3 0 "[ . 1]" 1 136 ASP 0.671 0.057 1 0 "[ . 1]" 1 137 ALA 0.015 0.013 9 0 "[ . 1]" 1 138 SER 0.523 0.041 1 0 "[ . 1]" 1 139 PHE 0.694 0.057 1 0 "[ . 1]" 1 140 ALA 0.000 0.000 . 0 "[ . 1]" 1 141 LEU 0.054 0.040 1 0 "[ . 1]" 1 142 ARG 0.015 0.013 9 0 "[ . 1]" 1 143 THR 0.017 0.008 5 0 "[ . 1]" 1 144 GLY 0.007 0.007 5 0 "[ . 1]" 1 145 GLU 0.071 0.040 1 0 "[ . 1]" 1 146 MET 0.314 0.035 2 0 "[ . 1]" 1 147 SER 0.234 0.035 2 0 "[ . 1]" 1 148 GLY 0.000 0.000 . 0 "[ . 1]" 1 149 PRO 0.000 0.000 . 0 "[ . 1]" 1 150 VAL 0.148 0.025 4 0 "[ . 1]" 1 151 PHE 0.302 0.029 3 0 "[ . 1]" 1 152 THR 0.180 0.043 2 0 "[ . 1]" 1 153 ASP 0.059 0.043 7 0 "[ . 1]" 1 154 SER 0.126 0.046 9 0 "[ . 1]" 1 155 GLY 0.046 0.009 6 0 "[ . 1]" 1 156 ILE 0.400 0.040 4 0 "[ . 1]" 1 157 HIS 1.782 0.158 3 0 "[ . 1]" 1 158 ILE 2.982 0.175 6 0 "[ . 1]" 1 159 ILE 0.253 0.032 6 0 "[ . 1]" 1 160 LEU 0.037 0.016 3 0 "[ . 1]" 1 161 ARG 0.154 0.026 8 0 "[ . 1]" 1 162 THR 0.410 0.075 2 0 "[ . 1]" 1 163 GLU 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 5 GLU HA 1 6 LYS H 1.800 . 3.300 2.789 2.201 3.494 0.194 8 0 "[ . 1]" 1 2 1 2 ALA HA 1 3 ASP H 1.800 . 4.800 2.524 2.140 3.520 . 0 0 "[ . 1]" 1 3 1 2 ALA MB 1 3 ASP H 1.800 . 4.800 2.997 1.946 3.688 . 0 0 "[ . 1]" 1 4 1 3 ASP HA 1 4 GLU H 1.800 . 3.300 2.676 2.138 3.244 . 0 0 "[ . 1]" 1 5 1 3 ASP QB 1 4 GLU H 1.800 . 5.500 3.419 1.940 3.942 . 0 0 "[ . 1]" 1 6 1 4 GLU H 1 4 GLU HB3 1.800 . 3.800 3.103 2.559 3.807 0.007 10 0 "[ . 1]" 1 7 1 4 GLU H 1 4 GLU HB2 1.800 . 3.800 3.042 2.225 3.863 0.063 1 0 "[ . 1]" 1 8 1 4 GLU HB3 1 5 GLU H 1.800 . 4.800 3.520 1.857 4.478 . 0 0 "[ . 1]" 1 9 1 4 GLU HB2 1 5 GLU H 1.800 . 4.800 4.000 3.201 4.625 . 0 0 "[ . 1]" 1 10 1 4 GLU HA 1 5 GLU H 1.800 . 3.300 2.869 2.148 3.499 0.199 6 0 "[ . 1]" 1 11 1 39 GLY H 1 40 ASN H 1.800 . 4.300 2.982 2.485 3.811 . 0 0 "[ . 1]" 1 12 1 38 SER H 1 40 ASN H 1.800 . 4.800 4.799 4.641 4.934 0.134 2 0 "[ . 1]" 1 13 1 49 GLN HA 1 50 GLY H 1.800 . 3.300 2.621 2.157 3.465 0.165 9 0 "[ . 1]" 1 14 1 47 ASN HB3 1 48 GLY H 1.800 . 4.800 3.377 2.010 4.353 . 0 0 "[ . 1]" 1 15 1 47 ASN HB2 1 48 GLY H 1.800 . 3.800 3.226 1.973 3.851 0.051 8 0 "[ . 1]" 1 16 1 47 ASN HA 1 48 GLY H 1.800 . 3.800 2.476 2.143 3.327 . 0 0 "[ . 1]" 1 17 1 100 GLU H 1 101 GLU H 1.800 . 2.700 2.407 2.302 2.550 . 0 0 "[ . 1]" 1 18 1 100 GLU HA 1 101 GLU H 1.800 . 4.800 3.549 3.530 3.574 . 0 0 "[ . 1]" 1 19 1 100 GLU QB 1 101 GLU H 1.800 . 4.300 2.596 2.447 2.702 . 0 0 "[ . 1]" 1 20 1 101 GLU HA 1 102 ASP H 1.800 . 3.300 2.340 2.134 2.661 . 0 0 "[ . 1]" 1 21 1 101 GLU H 1 102 ASP H 1.800 . 4.800 4.249 3.848 4.485 . 0 0 "[ . 1]" 1 22 1 101 GLU QB 1 102 ASP H 1.800 . 4.300 2.906 1.977 3.797 . 0 0 "[ . 1]" 1 23 1 101 GLU QG 1 102 ASP H 1.800 . 5.500 3.879 3.023 4.438 . 0 0 "[ . 1]" 1 24 1 101 GLU QB 1 106 LEU MD1 1.800 . 5.500 2.249 1.789 4.609 0.011 7 0 "[ . 1]" 1 25 1 102 ASP HA 1 103 PHE H 1.800 . 2.700 2.229 2.138 2.345 . 0 0 "[ . 1]" 1 26 1 102 ASP HA 1 106 LEU H 1.800 . 4.800 4.856 4.823 4.879 0.079 2 0 "[ . 1]" 1 27 1 102 ASP HB3 1 103 PHE H 1.800 . 4.300 3.795 3.229 4.051 . 0 0 "[ . 1]" 1 28 1 102 ASP HB2 1 103 PHE H 1.800 . 3.300 2.935 2.531 3.274 . 0 0 "[ . 1]" 1 29 1 102 ASP H 1 102 ASP HB2 1.800 . 4.300 3.618 3.339 3.813 . 0 0 "[ . 1]" 1 30 1 102 ASP H 1 102 ASP HB3 1.800 . 3.300 3.063 2.627 3.320 0.020 7 0 "[ . 1]" 1 31 1 102 ASP H 1 103 PHE H 1.800 . 4.800 4.527 4.408 4.639 . 0 0 "[ . 1]" 1 32 1 103 PHE HA 1 106 LEU H 1.800 . 4.800 3.625 3.454 3.853 . 0 0 "[ . 1]" 1 33 1 103 PHE HA 1 106 LEU QB 1.800 . 3.800 2.390 1.911 2.701 . 0 0 "[ . 1]" 1 34 1 103 PHE HA 1 107 ALA H 1.800 . 4.800 3.223 3.038 3.394 . 0 0 "[ . 1]" 1 35 1 103 PHE HB3 1 104 GLU H 1.800 . 4.300 2.506 2.314 2.620 . 0 0 "[ . 1]" 1 36 1 103 PHE HB2 1 104 GLU H 1.800 . 4.300 3.666 3.592 3.741 . 0 0 "[ . 1]" 1 37 1 103 PHE HB2 1 160 LEU MD2 1.800 . 4.300 3.075 2.380 4.088 . 0 0 "[ . 1]" 1 38 1 103 PHE HB3 1 160 LEU MD2 1.800 . 4.300 3.005 2.634 3.733 . 0 0 "[ . 1]" 1 39 1 103 PHE HD1 1 104 GLU H 1.800 . 3.800 3.721 3.441 3.832 0.032 1 0 "[ . 1]" 1 40 1 103 PHE HD1 1 160 LEU MD2 1.800 . 4.800 4.219 3.751 4.798 . 0 0 "[ . 1]" 1 41 1 103 PHE HE1 1 160 LEU MD2 1.800 . 5.500 5.072 4.660 5.469 . 0 0 "[ . 1]" 1 42 1 103 PHE H 1 103 PHE HB3 1.800 . 2.700 2.746 2.714 2.783 0.083 1 0 "[ . 1]" 1 43 1 103 PHE H 1 103 PHE HB2 1.800 . 3.300 2.283 2.215 2.335 . 0 0 "[ . 1]" 1 44 1 103 PHE H 1 104 GLU H 1.800 . 3.300 2.762 2.684 2.857 . 0 0 "[ . 1]" 1 45 1 103 PHE H 1 105 SER H 1.800 . 4.800 4.523 4.344 4.784 . 0 0 "[ . 1]" 1 46 1 104 GLU HA 1 107 ALA MB 1.800 . 4.300 3.050 2.765 3.311 . 0 0 "[ . 1]" 1 47 1 104 GLU HA 1 105 SER H 1.800 . 5.500 3.570 3.561 3.578 . 0 0 "[ . 1]" 1 48 1 104 GLU HA 1 107 ALA H 1.800 . 4.300 4.231 4.142 4.300 . 0 0 "[ . 1]" 1 49 1 104 GLU HA 1 108 SER H 1.800 . 4.800 4.163 4.046 4.335 . 0 0 "[ . 1]" 1 50 1 104 GLU QB 1 105 SER H 1.800 . 5.500 2.328 2.090 2.446 . 0 0 "[ . 1]" 1 51 1 104 GLU H 1 104 GLU HB2 1.800 . 3.300 2.508 2.139 2.867 . 0 0 "[ . 1]" 1 52 1 104 GLU H 1 104 GLU HB3 1.800 . 4.300 3.254 2.192 3.594 . 0 0 "[ . 1]" 1 53 1 104 GLU H 1 105 SER H 1.800 . 3.300 2.888 2.767 3.024 . 0 0 "[ . 1]" 1 54 1 104 GLU H 1 106 LEU H 1.800 . 4.800 4.120 3.773 4.288 . 0 0 "[ . 1]" 1 55 1 105 SER HA 1 106 LEU H 1.800 . 4.300 3.551 3.483 3.575 . 0 0 "[ . 1]" 1 56 1 105 SER HA 1 108 SER HB3 1.800 . 3.300 3.037 2.788 3.317 0.017 5 0 "[ . 1]" 1 57 1 105 SER HA 1 108 SER H 1.800 . 4.300 3.952 3.810 4.136 . 0 0 "[ . 1]" 1 58 1 105 SER HA 1 109 GLN H 1.800 . 4.800 4.376 4.101 4.496 . 0 0 "[ . 1]" 1 59 1 105 SER H 1 105 SER HB3 1.800 . 3.300 2.686 2.099 3.209 . 0 0 "[ . 1]" 1 60 1 105 SER H 1 105 SER HB2 1.800 . 4.300 2.586 2.085 3.590 . 0 0 "[ . 1]" 1 61 1 105 SER H 1 105 SER HG 3.000 3.000 5.500 4.099 3.436 4.483 . 0 0 "[ . 1]" 1 62 1 105 SER H 1 106 LEU H 1.800 . 3.300 2.669 2.565 2.731 . 0 0 "[ . 1]" 1 63 1 105 SER H 1 107 ALA H 1.800 . 4.800 4.657 4.546 4.771 . 0 0 "[ . 1]" 1 64 1 106 LEU HA 1 107 ALA H 1.800 . 5.000 3.573 3.568 3.579 . 0 0 "[ . 1]" 1 65 1 106 LEU HA 1 109 GLN HB2 1.800 . 3.300 3.140 2.967 3.303 0.003 5 0 "[ . 1]" 1 66 1 106 LEU HA 1 109 GLN H 1.800 . 4.300 3.735 3.673 3.799 . 0 0 "[ . 1]" 1 67 1 106 LEU HA 1 110 PHE HD2 1.800 . 3.800 3.014 2.632 3.215 . 0 0 "[ . 1]" 1 68 1 106 LEU HA 1 110 PHE HE2 1.800 . 4.800 2.754 2.389 3.064 . 0 0 "[ . 1]" 1 69 1 106 LEU MD2 1 110 PHE HD2 1.800 . 3.800 2.715 1.732 3.706 0.068 1 0 "[ . 1]" 1 70 1 106 LEU MD2 1 110 PHE HE2 1.800 . 3.800 2.237 1.813 3.489 . 0 0 "[ . 1]" 1 71 1 106 LEU MD2 1 110 PHE HZ 1.800 . 5.500 4.031 3.486 5.263 . 0 0 "[ . 1]" 1 72 1 106 LEU H 1 107 ALA H 1.800 . 3.300 2.968 2.895 3.019 . 0 0 "[ . 1]" 1 73 1 106 LEU H 1 108 SER H 1.800 . 4.800 4.382 4.205 4.646 . 0 0 "[ . 1]" 1 74 1 106 LEU H 1 110 PHE HD2 1.800 . 5.500 5.279 4.883 5.558 0.058 1 0 "[ . 1]" 1 75 1 107 ALA HA 1 108 SER H 1.800 . 4.300 3.557 3.540 3.570 . 0 0 "[ . 1]" 1 76 1 107 ALA HA 1 111 SER H 1.800 . 3.800 3.861 3.834 3.889 0.089 1 0 "[ . 1]" 1 77 1 107 ALA HA 1 111 SER HA 1.800 . 4.800 4.107 3.960 4.243 . 0 0 "[ . 1]" 1 78 1 107 ALA HA 1 110 PHE H 1.800 . 4.300 3.493 3.397 3.572 . 0 0 "[ . 1]" 1 79 1 107 ALA HA 1 111 SER QB 1.800 . 4.300 3.682 3.266 4.252 . 0 0 "[ . 1]" 1 80 1 107 ALA MB 1 108 SER H 1.800 . 3.800 2.419 2.277 2.586 . 0 0 "[ . 1]" 1 81 1 107 ALA MB 1 116 ALA H 1.800 . 5.500 5.570 5.551 5.585 0.085 9 0 "[ . 1]" 1 82 1 107 ALA MB 1 119 ARG HA 1.800 . 5.500 3.647 3.272 4.070 . 0 0 "[ . 1]" 1 83 1 107 ALA MB 1 120 GLY HA3 1.800 . 3.800 2.214 1.945 2.433 . 0 0 "[ . 1]" 1 84 1 107 ALA MB 1 120 GLY HA2 3.000 3.000 5.000 3.025 2.945 3.178 0.055 8 0 "[ . 1]" 1 85 1 107 ALA H 1 108 SER H 1.800 . 3.300 3.096 2.986 3.273 . 0 0 "[ . 1]" 1 86 1 107 ALA H 1 109 GLN H 1.800 . 4.800 4.700 4.553 4.786 . 0 0 "[ . 1]" 1 87 1 108 SER HA 1 109 GLN H 1.800 . 5.000 3.577 3.565 3.594 . 0 0 "[ . 1]" 1 88 1 108 SER HA 1 111 SER H 1.800 . 4.800 3.437 3.322 3.522 . 0 0 "[ . 1]" 1 89 1 108 SER HA 1 116 ALA MB 1.800 . 4.800 3.114 2.777 3.424 . 0 0 "[ . 1]" 1 90 1 108 SER HA 1 119 ARG QB 1.800 . 3.800 3.771 3.566 3.842 0.042 9 0 "[ . 1]" 1 91 1 108 SER HA 1 119 ARG H 1.800 . 4.300 4.299 3.965 4.366 0.066 5 0 "[ . 1]" 1 92 1 108 SER HA 1 120 GLY H 1.800 . 4.800 4.308 4.024 4.533 . 0 0 "[ . 1]" 1 93 1 108 SER HB3 1 109 GLN H 1.800 . 3.800 2.382 2.165 2.563 . 0 0 "[ . 1]" 1 94 1 108 SER HB2 1 109 GLN H 1.800 . 4.800 3.783 3.435 3.898 . 0 0 "[ . 1]" 1 95 1 108 SER H 1 108 SER HB3 1.800 . 3.300 2.454 2.292 2.927 . 0 0 "[ . 1]" 1 96 1 108 SER H 1 108 SER HB2 1.800 . 4.300 2.641 2.195 2.852 . 0 0 "[ . 1]" 1 97 1 108 SER H 1 109 GLN H 1.800 . 3.300 3.028 2.953 3.145 . 0 0 "[ . 1]" 1 98 1 108 SER H 1 110 PHE H 1.800 . 4.800 3.988 3.883 4.107 . 0 0 "[ . 1]" 1 99 1 108 SER H 1 119 ARG HA 1.800 . 3.800 3.187 2.959 3.464 . 0 0 "[ . 1]" 1 100 1 109 GLN H 1 110 PHE H 1.800 . 2.700 2.709 2.663 2.728 0.028 4 0 "[ . 1]" 1 101 1 109 GLN HB3 1 110 PHE H 1.800 . 4.800 3.985 3.574 4.179 . 0 0 "[ . 1]" 1 102 1 109 GLN HB2 1 110 PHE H 1.800 . 4.800 3.418 3.338 3.500 . 0 0 "[ . 1]" 1 103 1 109 GLN HB2 1 110 PHE HD2 1.800 . 3.800 3.799 3.647 3.825 0.025 4 0 "[ . 1]" 1 104 1 109 GLN HB2 1 110 PHE HE2 1.800 . 3.800 3.683 3.585 3.753 . 0 0 "[ . 1]" 1 105 1 109 GLN HB2 1 110 PHE HZ 1.800 . 4.800 4.338 4.120 4.800 0.000 1 0 "[ . 1]" 1 106 1 109 GLN HB3 1 110 PHE HD1 1.800 . 4.300 4.323 4.311 4.375 0.075 1 0 "[ . 1]" 1 107 1 109 GLN HB3 1 110 PHE HE1 1.800 . 4.300 4.021 3.925 4.187 . 0 0 "[ . 1]" 1 108 1 109 GLN HB3 1 110 PHE HZ 1.800 . 4.300 4.056 3.659 4.180 . 0 0 "[ . 1]" 1 109 1 109 GLN H 1 111 SER H 1.800 . 4.800 4.060 3.927 4.167 . 0 0 "[ . 1]" 1 110 1 110 PHE H 1 111 SER H 1.800 . 2.700 1.946 1.885 1.998 . 0 0 "[ . 1]" 1 111 1 110 PHE HD2 1 111 SER H 4.000 4.000 6.000 5.112 4.876 5.295 . 0 0 "[ . 1]" 1 112 1 111 SER HA 1 112 ASP H 1.800 . 2.700 2.175 2.139 2.215 . 0 0 "[ . 1]" 1 113 1 111 SER QB 1 112 ASP H 1.800 . 5.500 3.734 3.474 3.980 . 0 0 "[ . 1]" 1 114 1 111 SER H 1 112 ASP H 1.800 . 5.500 4.343 4.276 4.421 . 0 0 "[ . 1]" 1 115 1 110 PHE HA 1 111 SER H 1.800 . 4.300 3.233 3.217 3.254 . 0 0 "[ . 1]" 1 116 1 110 PHE QB 1 111 SER H 1.800 . 5.500 3.514 3.486 3.542 . 0 0 "[ . 1]" 1 117 1 112 ASP H 1 113 CYS H 1.800 . 3.300 2.629 2.510 2.912 . 0 0 "[ . 1]" 1 118 1 113 CYS H 1 116 ALA H 1.800 . 5.500 4.206 3.881 4.574 . 0 0 "[ . 1]" 1 119 1 113 CYS HA 1 113 CYS HB2 1.800 . 2.700 2.642 2.553 2.665 . 0 0 "[ . 1]" 1 120 1 113 CYS HA 1 114 SER H 1.800 . 2.700 2.498 2.451 2.542 . 0 0 "[ . 1]" 1 121 1 113 CYS HA 1 116 ALA H 1.800 . 5.500 5.318 5.020 5.400 . 0 0 "[ . 1]" 1 122 1 114 SER H 1 115 SER H 1.800 . 3.800 2.781 2.651 2.832 . 0 0 "[ . 1]" 1 123 1 114 SER H 1 116 ALA H 1.800 . 4.800 4.711 4.555 4.813 0.013 2 0 "[ . 1]" 1 124 1 114 SER HA 1 115 SER H 1.800 . 4.300 3.314 3.288 3.413 . 0 0 "[ . 1]" 1 125 1 114 SER HB3 1 115 SER H 1.800 . 4.300 4.247 4.157 4.293 . 0 0 "[ . 1]" 1 126 1 115 SER H 1 116 ALA H 1.800 . 5.500 2.650 2.626 2.695 . 0 0 "[ . 1]" 1 127 1 115 SER H 1 117 LYS H 1.800 . 5.500 4.484 4.393 4.612 . 0 0 "[ . 1]" 1 128 1 115 SER HA 1 116 ALA H 1.800 . 3.800 3.485 3.448 3.518 . 0 0 "[ . 1]" 1 129 1 115 SER HA 1 118 ALA MB 1.800 . 5.500 4.001 3.681 4.334 . 0 0 "[ . 1]" 1 130 1 115 SER HA 1 118 ALA H 1.800 . 4.300 3.586 3.425 3.823 . 0 0 "[ . 1]" 1 131 1 115 SER HA 1 120 GLY HA2 1.800 . 5.500 4.080 3.819 4.474 . 0 0 "[ . 1]" 1 132 1 115 SER HA 1 120 GLY H 1.800 . 5.500 3.819 3.507 4.252 . 0 0 "[ . 1]" 1 133 1 115 SER HB3 1 116 ALA H 1.800 . 5.500 3.643 2.716 4.201 . 0 0 "[ . 1]" 1 134 1 115 SER HB2 1 116 ALA H 1.800 . 5.500 3.484 2.938 4.178 . 0 0 "[ . 1]" 1 135 1 116 ALA H 1 117 LYS H 1.800 . 3.800 2.945 2.902 2.989 . 0 0 "[ . 1]" 1 136 1 116 ALA H 1 118 ALA H 1.800 . 4.800 4.432 4.326 4.659 . 0 0 "[ . 1]" 1 137 1 116 ALA H 1 120 GLY H 1.800 . 5.500 4.063 3.912 4.227 . 0 0 "[ . 1]" 1 138 1 116 ALA HA 1 120 GLY H 1.800 . 3.300 3.152 2.634 3.303 0.003 7 0 "[ . 1]" 1 139 1 116 ALA HA 1 119 ARG H 1.800 . 4.300 2.959 2.776 3.230 . 0 0 "[ . 1]" 1 140 1 116 ALA HA 1 117 LYS H 1.800 . 4.800 3.516 3.487 3.537 . 0 0 "[ . 1]" 1 141 1 116 ALA MB 1 117 LYS H 1.800 . 4.800 2.821 2.704 2.924 . 0 0 "[ . 1]" 1 142 1 116 ALA MB 1 117 LYS HA 1.800 . 5.500 3.735 3.687 3.771 . 0 0 "[ . 1]" 1 143 1 116 ALA MB 1 120 GLY H 1.800 . 5.500 4.563 4.210 4.690 . 0 0 "[ . 1]" 1 144 1 117 LYS H 1 118 ALA H 1.800 . 3.300 2.749 2.710 2.800 . 0 0 "[ . 1]" 1 145 1 117 LYS H 1 119 ARG H 1.800 . 4.800 3.940 3.851 4.079 . 0 0 "[ . 1]" 1 146 1 117 LYS HA 1 118 ALA H 1.800 . 4.800 3.499 3.461 3.534 . 0 0 "[ . 1]" 1 147 1 117 LYS QG 1 118 ALA H 1.800 . 3.800 2.897 1.982 3.808 0.008 4 0 "[ . 1]" 1 148 1 117 LYS QB 1 118 ALA H 1.800 . 3.800 3.058 2.550 3.498 . 0 0 "[ . 1]" 1 149 1 118 ALA H 1 119 ARG H 1.800 . 3.300 2.375 2.171 2.574 . 0 0 "[ . 1]" 1 150 1 118 ALA HA 1 119 ARG HA 1.800 . 5.500 4.957 4.940 4.985 . 0 0 "[ . 1]" 1 151 1 118 ALA H 1 120 GLY H 1.800 . 3.300 3.198 2.869 3.302 0.002 2 0 "[ . 1]" 1 152 1 118 ALA MB 1 121 ASP HB2 1.800 . 4.800 3.069 1.979 4.588 . 0 0 "[ . 1]" 1 153 1 118 ALA MB 1 119 ARG H 1.800 . 5.500 3.576 3.533 3.608 . 0 0 "[ . 1]" 1 154 1 118 ALA MB 1 121 ASP H 1.800 . 5.500 3.240 2.717 3.655 . 0 0 "[ . 1]" 1 155 1 118 ALA MB 1 120 GLY H 1.800 . 5.500 3.678 3.442 3.878 . 0 0 "[ . 1]" 1 156 1 119 ARG H 1 120 GLY H 1.800 . 3.300 2.788 2.600 2.907 . 0 0 "[ . 1]" 1 157 1 119 ARG H 1 121 ASP H 1.800 . 4.800 4.507 4.245 4.778 . 0 0 "[ . 1]" 1 158 1 119 ARG HA 1 120 GLY H 1.800 . 3.300 2.769 2.679 2.906 . 0 0 "[ . 1]" 1 159 1 119 ARG H 1 119 ARG HA 1.800 . 2.700 2.267 2.262 2.278 . 0 0 "[ . 1]" 1 160 1 119 ARG QB 1 120 GLY H 1.800 . 5.500 3.908 3.824 3.965 . 0 0 "[ . 1]" 1 161 1 120 GLY H 1 121 ASP H 1.800 . 3.300 3.063 2.734 3.272 . 0 0 "[ . 1]" 1 162 1 120 GLY H 1 121 ASP QB 1.800 . 5.500 4.720 4.410 5.026 . 0 0 "[ . 1]" 1 163 1 120 GLY HA3 1 121 ASP H 1.800 . 4.300 2.860 2.763 2.997 . 0 0 "[ . 1]" 1 164 1 120 GLY H 1 120 GLY HA2 1.800 . 2.700 2.362 2.344 2.407 . 0 0 "[ . 1]" 1 165 1 120 GLY HA2 1 121 ASP H 1.800 . 4.300 3.528 3.478 3.556 . 0 0 "[ . 1]" 1 166 1 120 GLY HA2 1 121 ASP HA 1.800 . 5.500 4.800 4.749 4.822 . 0 0 "[ . 1]" 1 167 1 120 GLY HA3 1 121 ASP HA 1.800 . 4.800 4.342 4.324 4.372 . 0 0 "[ . 1]" 1 168 1 121 ASP HA 1 122 LEU H 1.800 . 2.700 2.155 2.130 2.189 . 0 0 "[ . 1]" 1 169 1 121 ASP H 1 122 LEU H 1.800 . 5.500 4.391 4.271 4.496 . 0 0 "[ . 1]" 1 170 1 121 ASP QB 1 122 LEU H 1.800 . 4.800 3.694 3.399 3.975 . 0 0 "[ . 1]" 1 171 1 121 ASP QB 1 123 GLY H 1.800 . 4.800 3.110 2.768 3.909 . 0 0 "[ . 1]" 1 172 1 122 LEU H 1 123 GLY H 1.800 . 2.700 2.650 2.551 2.711 0.011 2 0 "[ . 1]" 1 173 1 122 LEU HA 1 122 LEU MD2 1.800 . 3.800 2.453 2.003 3.409 . 0 0 "[ . 1]" 1 174 1 122 LEU QB 1 130 MET ME 1.800 . 4.800 3.035 1.943 4.385 . 0 0 "[ . 1]" 1 175 1 122 LEU MD1 1 134 PHE HZ 1.800 . 3.300 1.981 1.861 2.316 . 0 0 "[ . 1]" 1 176 1 122 LEU MD1 1 130 MET ME 1.800 . 5.500 2.761 1.868 3.901 . 0 0 "[ . 1]" 1 177 1 123 GLY HA3 1 124 ALA H 1.800 . 3.300 2.442 2.313 2.598 . 0 0 "[ . 1]" 1 178 1 123 GLY HA2 1 124 ALA H 1.800 . 3.300 2.697 2.525 2.852 . 0 0 "[ . 1]" 1 179 1 123 GLY H 1 124 ALA H 1.800 . 5.500 4.602 4.535 4.643 . 0 0 "[ . 1]" 1 180 1 124 ALA HA 1 125 PHE H 1.800 . 2.700 2.155 2.150 2.162 . 0 0 "[ . 1]" 1 181 1 124 ALA HA 1 125 PHE QD 1.800 . 4.300 3.780 3.552 4.192 . 0 0 "[ . 1]" 1 182 1 124 ALA HA 1 125 PHE QE 1.800 . 5.500 4.674 4.479 4.970 . 0 0 "[ . 1]" 1 183 1 124 ALA MB 1 125 PHE H 1.800 . 3.800 3.285 3.197 3.346 . 0 0 "[ . 1]" 1 184 1 125 PHE HA 1 126 SER H 1.800 . 2.700 2.494 2.399 2.565 . 0 0 "[ . 1]" 1 185 1 125 PHE H 1 126 SER H 1.800 . 5.500 4.437 4.419 4.452 . 0 0 "[ . 1]" 1 186 1 125 PHE HB2 1 130 MET ME 1.800 . 4.800 3.696 2.347 4.814 0.014 5 0 "[ . 1]" 1 187 1 125 PHE HB3 1 126 SER H 1.800 . 3.300 3.391 3.363 3.422 0.122 2 0 "[ . 1]" 1 188 1 125 PHE HB3 1 129 GLN QB 1.800 . 4.800 4.016 3.296 4.682 . 0 0 "[ . 1]" 1 189 1 125 PHE QD 1 139 PHE HE1 1.800 . 3.300 3.013 2.742 3.162 . 0 0 "[ . 1]" 1 190 1 125 PHE QD 1 126 SER H 1.800 . 4.800 3.404 3.231 3.645 . 0 0 "[ . 1]" 1 191 1 125 PHE QE 1 139 PHE HE1 1.800 . 3.300 2.230 1.911 2.474 . 0 0 "[ . 1]" 1 192 1 125 PHE QE 1 134 PHE QE 1.800 . 4.800 3.278 2.980 3.431 . 0 0 "[ . 1]" 1 193 1 125 PHE HZ 1 134 PHE QE 1.800 . 3.300 2.661 2.235 2.962 . 0 0 "[ . 1]" 1 194 1 125 PHE HZ 1 134 PHE QD 1.800 . 4.300 4.078 3.554 4.297 . 0 0 "[ . 1]" 1 195 1 125 PHE HZ 1 138 SER HA 1.800 . 5.500 5.222 4.847 5.393 . 0 0 "[ . 1]" 1 196 1 126 SER HA 1 127 ARG H 1.800 . 3.300 2.185 2.144 2.223 . 0 0 "[ . 1]" 1 197 1 126 SER HA 1 139 PHE HZ 1.800 . 3.300 3.248 2.981 3.324 0.024 10 0 "[ . 1]" 1 198 1 126 SER HA 1 139 PHE QE 1.800 . 4.800 4.367 4.083 4.478 . 0 0 "[ . 1]" 1 199 1 126 SER HB3 1 127 ARG H 1.800 . 3.300 3.087 2.902 3.250 . 0 0 "[ . 1]" 1 200 1 126 SER HB2 1 127 ARG H 1.800 . 4.300 3.952 3.657 4.257 . 0 0 "[ . 1]" 1 201 1 126 SER H 1 127 ARG H 1.800 . 5.500 4.461 4.416 4.512 . 0 0 "[ . 1]" 1 202 1 126 SER H 1 139 PHE HZ 1.800 . 5.500 5.461 5.342 5.510 0.010 2 0 "[ . 1]" 1 203 1 127 ARG HA 1 128 GLY H 1.800 . 2.700 2.173 2.143 2.252 . 0 0 "[ . 1]" 1 204 1 127 ARG HA 1 135 GLU HB3 1.800 . 4.800 4.505 4.210 4.815 0.015 8 0 "[ . 1]" 1 205 1 127 ARG HA 1 135 GLU HB2 1.800 . 5.500 4.116 3.309 4.604 . 0 0 "[ . 1]" 1 206 1 127 ARG HA 1 135 GLU QG 1.800 . 5.500 2.074 1.873 2.523 . 0 0 "[ . 1]" 1 207 1 128 GLY H 1 129 GLN H 1.800 . 3.300 2.179 1.995 2.532 . 0 0 "[ . 1]" 1 208 1 129 GLN H 1 130 MET H 1.800 . 2.700 2.319 2.080 2.449 . 0 0 "[ . 1]" 1 209 1 129 GLN HA 1 130 MET H 1.800 . 4.800 3.542 3.477 3.568 . 0 0 "[ . 1]" 1 210 1 129 GLN HB3 1 130 MET H 1.800 . 4.800 3.019 2.308 3.955 . 0 0 "[ . 1]" 1 211 1 129 GLN QG 1 130 MET ME 1.800 . 4.800 3.819 2.736 4.756 . 0 0 "[ . 1]" 1 212 1 130 MET HA 1 131 GLN H 1.800 . 2.700 2.563 2.402 2.597 . 0 0 "[ . 1]" 1 213 1 130 MET H 1 131 GLN H 1.800 . 5.500 4.512 4.466 4.606 . 0 0 "[ . 1]" 1 214 1 131 GLN HA 1 132 LYS H 1.800 . 2.700 2.277 2.193 2.385 . 0 0 "[ . 1]" 1 215 1 131 GLN H 1 134 PHE H 1.800 . 5.500 4.523 4.336 4.776 . 0 0 "[ . 1]" 1 216 1 131 GLN H 1 134 PHE HB2 1.800 . 4.800 3.385 3.137 3.748 . 0 0 "[ . 1]" 1 217 1 131 GLN H 1 134 PHE HB3 1.800 . 3.800 3.158 2.873 3.686 . 0 0 "[ . 1]" 1 218 1 131 GLN H 1 134 PHE QD 1.800 . 5.500 4.304 3.981 4.747 . 0 0 "[ . 1]" 1 219 1 131 GLN H 1 135 GLU H 1.800 . 5.500 4.513 4.275 4.957 . 0 0 "[ . 1]" 1 220 1 131 GLN QB 1 152 THR HB 1.800 . 3.800 3.816 3.792 3.843 0.043 2 0 "[ . 1]" 1 221 1 131 GLN QB 1 152 THR HA 1.800 . 5.500 5.381 5.241 5.508 0.008 1 0 "[ . 1]" 1 222 1 132 LYS H 1 132 LYS HB3 1.800 . 4.300 2.847 2.036 3.592 . 0 0 "[ . 1]" 1 223 1 132 LYS H 1 132 LYS HB2 1.800 . 4.300 2.772 2.178 3.600 . 0 0 "[ . 1]" 1 224 1 132 LYS HA 1 134 PHE H 1.800 . 4.800 4.172 4.104 4.322 . 0 0 "[ . 1]" 1 225 1 132 LYS HA 1 135 GLU H 1.800 . 3.800 3.833 3.812 3.849 0.049 3 0 "[ . 1]" 1 226 1 132 LYS H 1 134 PHE H 1.800 . 4.800 4.063 3.936 4.291 . 0 0 "[ . 1]" 1 227 1 133 PRO HA 1 136 ASP HB3 1.800 . 3.300 3.166 2.776 3.301 0.001 6 0 "[ . 1]" 1 228 1 133 PRO HA 1 136 ASP H 1.800 . 3.800 3.825 3.814 3.838 0.038 3 0 "[ . 1]" 1 229 1 133 PRO HA 1 137 ALA H 1.800 . 4.300 3.775 3.530 3.925 . 0 0 "[ . 1]" 1 230 1 133 PRO HA 1 134 PHE H 1.800 . 3.800 3.502 3.477 3.540 . 0 0 "[ . 1]" 1 231 1 134 PHE HA 1 135 GLU H 1.800 . 4.800 3.542 3.535 3.550 . 0 0 "[ . 1]" 1 232 1 133 PRO HA 1 136 ASP HB2 1.800 . 3.300 3.154 3.026 3.298 . 0 0 "[ . 1]" 1 233 1 134 PHE HA 1 137 ALA MB 1.800 . 4.800 3.265 3.018 3.577 . 0 0 "[ . 1]" 1 234 1 134 PHE HA 1 150 VAL MG1 1.800 . 4.300 3.616 3.237 4.002 . 0 0 "[ . 1]" 1 235 1 134 PHE HB2 1 135 GLU H 1.800 . 3.300 3.386 3.362 3.404 0.104 3 0 "[ . 1]" 1 236 1 134 PHE HB3 1 135 GLU H 1.800 . 4.800 1.970 1.942 2.005 . 0 0 "[ . 1]" 1 237 1 134 PHE QD 1 135 GLU H 1.800 . 3.300 3.097 2.942 3.243 . 0 0 "[ . 1]" 1 238 1 134 PHE QE 1 157 HIS QB 1.800 . 3.300 3.200 3.074 3.253 . 0 0 "[ . 1]" 1 239 1 134 PHE QE 1 157 HIS HE1 1.800 . 5.500 5.464 5.402 5.494 . 0 0 "[ . 1]" 1 240 1 134 PHE H 1 135 GLU H 1.800 . 3.300 2.797 2.740 2.833 . 0 0 "[ . 1]" 1 241 1 134 PHE H 1 136 ASP H 1.800 . 4.800 3.996 3.906 4.104 . 0 0 "[ . 1]" 1 242 1 134 PHE H 1 150 VAL MG1 1.800 . 5.500 4.097 3.593 4.586 . 0 0 "[ . 1]" 1 243 1 135 GLU HA 1 138 SER HB3 1.800 . 3.300 3.329 3.321 3.341 0.041 1 0 "[ . 1]" 1 244 1 135 GLU HA 1 139 PHE H 1.800 . 5.500 3.469 3.406 3.523 . 0 0 "[ . 1]" 1 245 1 135 GLU HA 1 139 PHE HD1 1.800 . 4.300 2.803 2.596 3.062 . 0 0 "[ . 1]" 1 246 1 135 GLU HA 1 139 PHE HE1 1.800 . 4.800 3.767 3.364 4.243 . 0 0 "[ . 1]" 1 247 1 134 PHE QE 1 135 GLU HA 1.800 . 5.500 4.664 4.403 4.887 . 0 0 "[ . 1]" 1 248 1 135 GLU HA 1 138 SER HB2 1.800 . 4.300 2.523 2.313 2.845 . 0 0 "[ . 1]" 1 249 1 135 GLU HA 1 137 ALA H 1.800 . 5.500 4.902 4.768 4.978 . 0 0 "[ . 1]" 1 250 1 135 GLU HB3 1 136 ASP H 1.800 . 2.700 2.605 2.487 2.703 0.003 9 0 "[ . 1]" 1 251 1 135 GLU HB2 1 136 ASP H 1.800 . 4.300 3.641 3.298 3.949 . 0 0 "[ . 1]" 1 252 1 135 GLU H 1 135 GLU HB3 1.800 . 4.300 2.818 2.398 3.182 . 0 0 "[ . 1]" 1 253 1 135 GLU H 1 135 GLU HB2 1.800 . 3.300 2.303 2.066 2.655 . 0 0 "[ . 1]" 1 254 1 135 GLU H 1 136 ASP H 1.800 . 3.300 2.869 2.755 2.945 . 0 0 "[ . 1]" 1 255 1 135 GLU H 1 137 ALA H 1.800 . 4.800 4.692 4.582 4.779 . 0 0 "[ . 1]" 1 256 1 136 ASP HA 1 139 PHE HB3 1.800 . 4.300 4.341 4.334 4.357 0.057 1 0 "[ . 1]" 1 257 1 136 ASP HA 1 137 ALA H 1.800 . 4.800 3.576 3.570 3.579 . 0 0 "[ . 1]" 1 258 1 136 ASP HA 1 139 PHE HB2 1.800 . 3.300 3.017 2.923 3.120 . 0 0 "[ . 1]" 1 259 1 136 ASP HB3 1 137 ALA H 1.800 . 3.800 2.244 2.116 2.368 . 0 0 "[ . 1]" 1 260 1 136 ASP HB2 1 137 ALA H 1.800 . 3.800 3.294 3.223 3.422 . 0 0 "[ . 1]" 1 261 1 136 ASP H 1 136 ASP HB3 1.800 . 4.300 3.014 2.850 3.086 . 0 0 "[ . 1]" 1 262 1 136 ASP H 1 136 ASP HB2 1.800 . 3.300 2.158 2.118 2.259 . 0 0 "[ . 1]" 1 263 1 136 ASP H 1 137 ALA MB 1.800 . 5.500 4.496 4.438 4.543 . 0 0 "[ . 1]" 1 264 1 136 ASP H 1 137 ALA H 1.800 . 3.300 2.937 2.880 2.975 . 0 0 "[ . 1]" 1 265 1 136 ASP H 1 138 SER H 1.800 . 4.800 4.149 4.044 4.264 . 0 0 "[ . 1]" 1 266 1 137 ALA HA 1 140 ALA MB 1.800 . 4.800 2.334 2.123 2.463 . 0 0 "[ . 1]" 1 267 1 137 ALA MB 1 138 SER H 1.800 . 4.800 2.494 2.369 2.637 . 0 0 "[ . 1]" 1 268 1 137 ALA MB 1 150 VAL MG1 1.800 . 4.800 3.880 3.601 4.334 . 0 0 "[ . 1]" 1 269 1 137 ALA MB 1 150 VAL MG2 1.800 . 3.800 3.171 3.099 3.278 . 0 0 "[ . 1]" 1 270 1 137 ALA H 1 138 SER H 1.800 . 3.300 2.755 2.686 2.830 . 0 0 "[ . 1]" 1 271 1 137 ALA H 1 139 PHE H 1.800 . 4.800 4.379 4.291 4.462 . 0 0 "[ . 1]" 1 272 1 138 SER H 1 139 PHE H 1.800 . 3.300 2.808 2.763 2.858 . 0 0 "[ . 1]" 1 273 1 137 ALA H 1 150 VAL MG1 1.800 . 5.500 5.323 5.105 5.501 0.001 3 0 "[ . 1]" 1 274 1 137 ALA H 1 150 VAL MG2 1.800 . 5.500 5.280 5.054 5.513 0.013 9 0 "[ . 1]" 1 275 1 138 SER HB3 1 139 PHE H 1.800 . 3.300 2.722 2.612 2.844 . 0 0 "[ . 1]" 1 276 1 138 SER HA 1 139 PHE H 1.800 . 4.800 3.551 3.548 3.557 . 0 0 "[ . 1]" 1 277 1 138 SER HB2 1 139 PHE HD1 1.800 . 3.300 3.316 3.310 3.321 0.021 2 0 "[ . 1]" 1 278 1 138 SER H 1 140 ALA H 1.800 . 4.800 3.749 3.691 3.796 . 0 0 "[ . 1]" 1 279 1 138 SER HA 1 140 ALA H 1.800 . 4.300 3.905 3.838 4.003 . 0 0 "[ . 1]" 1 280 1 138 SER H 1 139 PHE HD1 1.800 . 5.500 4.412 4.156 4.612 . 0 0 "[ . 1]" 1 281 1 139 PHE HA 1 139 PHE HD2 1.800 . 3.800 3.634 3.304 3.789 . 0 0 "[ . 1]" 1 282 1 139 PHE H 1 139 PHE HB3 1.800 . 3.800 3.499 3.474 3.533 . 0 0 "[ . 1]" 1 283 1 139 PHE H 1 139 PHE HB2 1.800 . 3.800 2.199 2.159 2.255 . 0 0 "[ . 1]" 1 284 1 139 PHE H 1 140 ALA H 1.800 . 3.300 2.591 2.554 2.639 . 0 0 "[ . 1]" 1 285 1 139 PHE H 1 141 LEU H 1.800 . 4.800 4.096 4.019 4.281 . 0 0 "[ . 1]" 1 286 1 139 PHE HB2 1 140 ALA H 1.800 . 5.500 3.402 3.309 3.554 . 0 0 "[ . 1]" 1 287 1 140 ALA HA 1 141 LEU H 1.800 . 4.300 3.354 3.254 3.445 . 0 0 "[ . 1]" 1 288 1 140 ALA MB 1 141 LEU H 1.800 . 5.500 3.179 2.962 3.344 . 0 0 "[ . 1]" 1 289 1 141 LEU HA 1 142 ARG H 1.800 . 2.700 2.366 2.268 2.463 . 0 0 "[ . 1]" 1 290 1 141 LEU QB 1 142 ARG H 1.800 . 4.800 2.742 2.308 3.218 . 0 0 "[ . 1]" 1 291 1 141 LEU MD1 1 161 ARG H 1.800 . 5.500 4.374 2.887 5.505 0.005 4 0 "[ . 1]" 1 292 1 141 LEU MD1 1 161 ARG QB 1.800 . 5.500 4.133 2.816 4.889 . 0 0 "[ . 1]" 1 293 1 141 LEU MD2 1 147 SER HA 1.800 . 3.800 2.681 2.123 3.260 . 0 0 "[ . 1]" 1 294 1 141 LEU MD2 1 147 SER HB3 1.800 . 3.800 2.679 1.930 3.695 . 0 0 "[ . 1]" 1 295 1 142 ARG H 1 145 GLU QB 1.800 . 3.800 2.242 1.948 2.452 . 0 0 "[ . 1]" 1 296 1 142 ARG H 1 143 THR H 1.800 . 5.500 4.546 4.491 4.594 . 0 0 "[ . 1]" 1 297 1 142 ARG H 1 145 GLU QG 1.800 . 5.500 2.825 1.912 3.792 . 0 0 "[ . 1]" 1 298 1 142 ARG HA 1 143 THR H 1.800 . 3.300 2.447 2.338 2.579 . 0 0 "[ . 1]" 1 299 1 142 ARG QB 1 143 THR H 1.800 . 3.800 2.599 2.183 3.158 . 0 0 "[ . 1]" 1 300 1 142 ARG QG 1 143 THR H 1.800 . 5.500 2.993 2.041 4.273 . 0 0 "[ . 1]" 1 301 1 143 THR HA 1 144 GLY H 1.800 . 3.300 2.149 2.142 2.159 . 0 0 "[ . 1]" 1 302 1 143 THR HB 1 144 GLY H 1.800 . 4.300 4.154 3.944 4.307 0.007 5 0 "[ . 1]" 1 303 1 143 THR H 1 144 GLY H 1.800 . 5.500 4.466 4.380 4.552 . 0 0 "[ . 1]" 1 304 1 143 THR MG 1 144 GLY H 1.800 . 3.800 2.937 2.591 3.217 . 0 0 "[ . 1]" 1 305 1 143 THR H 1 143 THR MG 1.800 . 4.300 3.684 3.540 3.748 . 0 0 "[ . 1]" 1 306 1 143 THR MG 1 162 THR HA 1.800 . 4.300 3.910 2.836 4.308 0.008 5 0 "[ . 1]" 1 307 1 144 GLY HA3 1 145 GLU H 1.800 . 4.300 3.404 3.276 3.470 . 0 0 "[ . 1]" 1 308 1 144 GLY HA2 1 145 GLU H 1.800 . 4.800 3.133 3.016 3.313 . 0 0 "[ . 1]" 1 309 1 144 GLY H 1 145 GLU H 1.800 . 3.300 2.430 2.273 2.578 . 0 0 "[ . 1]" 1 310 1 144 GLY H 1 162 THR HA 1.800 . 4.300 3.751 3.283 4.038 . 0 0 "[ . 1]" 1 311 1 145 GLU HA 1 146 MET H 1.800 . 2.700 2.271 2.204 2.401 . 0 0 "[ . 1]" 1 312 1 145 GLU HA 1 146 MET HA 1.800 . 5.500 4.395 4.379 4.439 . 0 0 "[ . 1]" 1 313 1 145 GLU HB2 1 146 MET H 1.800 . 4.800 4.158 3.915 4.334 . 0 0 "[ . 1]" 1 314 1 145 GLU HB3 1 146 MET H 1.800 . 3.300 3.061 2.571 3.304 0.004 9 0 "[ . 1]" 1 315 1 145 GLU QG 1 146 MET H 1.800 . 5.500 3.270 2.437 4.308 . 0 0 "[ . 1]" 1 316 1 145 GLU H 1 145 GLU HB2 1.800 . 3.800 2.327 2.190 2.526 . 0 0 "[ . 1]" 1 317 1 145 GLU H 1 161 ARG HB2 1.800 . 5.500 4.249 3.685 4.512 . 0 0 "[ . 1]" 1 318 1 146 MET HA 1 147 SER HB2 1.800 . 5.500 5.522 5.497 5.535 0.035 2 0 "[ . 1]" 1 319 1 146 MET HA 1 147 SER HB3 1.800 . 4.800 4.176 4.162 4.196 . 0 0 "[ . 1]" 1 320 1 146 MET HA 1 147 SER H 1.800 . 2.700 2.188 2.129 2.245 . 0 0 "[ . 1]" 1 321 1 146 MET HA 1 159 ILE H 1.800 . 4.800 4.619 4.279 4.808 0.008 5 0 "[ . 1]" 1 322 1 146 MET HA 1 160 LEU HA 1.800 . 2.700 2.287 2.068 2.439 . 0 0 "[ . 1]" 1 323 1 146 MET HA 1 161 ARG H 1.800 . 4.300 3.827 3.554 4.076 . 0 0 "[ . 1]" 1 324 1 146 MET HB3 1 147 SER H 1.800 . 4.800 3.713 3.171 4.223 . 0 0 "[ . 1]" 1 325 1 146 MET H 1 146 MET HB3 1.800 . 3.300 2.925 2.545 3.330 0.030 8 0 "[ . 1]" 1 326 1 146 MET HB2 1 147 SER H 1.800 . 4.800 4.242 4.114 4.400 . 0 0 "[ . 1]" 1 327 1 146 MET H 1 146 MET HB2 1.800 . 3.300 2.699 2.311 3.142 . 0 0 "[ . 1]" 1 328 1 146 MET HG3 1 147 SER H 1.800 . 3.800 3.280 2.644 3.700 . 0 0 "[ . 1]" 1 329 1 146 MET HG2 1 147 SER H 1.800 . 3.800 3.060 2.267 3.619 . 0 0 "[ . 1]" 1 330 1 146 MET HG2 1 158 ILE MG 1.800 . 4.300 2.319 1.961 2.985 . 0 0 "[ . 1]" 1 331 1 147 SER HA 1 148 GLY H 1.800 . 3.300 2.291 2.213 2.388 . 0 0 "[ . 1]" 1 332 1 147 SER HB3 1 159 ILE HB 1.800 . 4.300 2.320 1.989 3.055 . 0 0 "[ . 1]" 1 333 1 147 SER HB3 1 159 ILE H 1.800 . 3.800 3.086 2.651 3.526 . 0 0 "[ . 1]" 1 334 1 147 SER HB2 1 148 GLY H 1.800 . 3.300 2.957 2.770 3.151 . 0 0 "[ . 1]" 1 335 1 147 SER HB2 1 159 ILE H 1.800 . 4.800 4.015 3.681 4.272 . 0 0 "[ . 1]" 1 336 1 147 SER HB2 1 150 VAL MG2 1.800 . 4.800 3.463 3.112 3.827 . 0 0 "[ . 1]" 1 337 1 147 SER H 1 159 ILE H 1.800 . 3.300 2.833 2.394 3.114 . 0 0 "[ . 1]" 1 338 1 147 SER H 1 159 ILE HB 1.800 . 3.800 3.455 3.138 3.808 0.008 3 0 "[ . 1]" 1 339 1 147 SER H 1 148 GLY H 1.800 . 5.500 4.593 4.569 4.625 . 0 0 "[ . 1]" 1 340 1 147 SER H 1 160 LEU HA 1.800 . 4.300 3.498 3.255 3.711 . 0 0 "[ . 1]" 1 341 1 148 GLY HA3 1 149 PRO HD2 1.800 . 4.800 2.128 2.057 2.195 . 0 0 "[ . 1]" 1 342 1 148 GLY HA3 1 149 PRO HD3 1.800 . 3.300 2.873 2.709 3.047 . 0 0 "[ . 1]" 1 343 1 148 GLY HA2 1 149 PRO HD3 1.800 . 3.300 2.835 2.720 2.970 . 0 0 "[ . 1]" 1 344 1 148 GLY HA2 1 149 PRO HD2 1.800 . 4.300 3.159 2.982 3.320 . 0 0 "[ . 1]" 1 345 1 148 GLY H 1 149 PRO HD3 1.800 . 5.500 5.048 4.945 5.131 . 0 0 "[ . 1]" 1 346 1 148 GLY H 1 150 VAL MG2 1.800 . 4.800 4.073 3.768 4.327 . 0 0 "[ . 1]" 1 347 1 148 GLY H 1 149 PRO HD2 1.800 . 5.500 4.326 4.193 4.466 . 0 0 "[ . 1]" 1 348 1 149 PRO HA 1 150 VAL H 1.800 . 2.700 2.170 2.154 2.209 . 0 0 "[ . 1]" 1 349 1 149 PRO HA 1 156 ILE MG 1.800 . 4.800 2.538 2.132 2.802 . 0 0 "[ . 1]" 1 350 1 149 PRO HB3 1 156 ILE MG 1.800 . 5.500 2.766 2.311 3.355 . 0 0 "[ . 1]" 1 351 1 149 PRO HB3 1 150 VAL H 1.800 . 4.800 4.203 4.002 4.335 . 0 0 "[ . 1]" 1 352 1 149 PRO HB2 1 156 ILE MG 1.800 . 3.300 2.646 2.137 3.270 . 0 0 "[ . 1]" 1 353 1 149 PRO HB2 1 150 VAL H 1.800 . 4.300 3.803 3.506 3.964 . 0 0 "[ . 1]" 1 354 1 150 VAL HA 1 151 PHE H 1.800 . 2.700 2.139 2.134 2.147 . 0 0 "[ . 1]" 1 355 1 150 VAL HA 1 157 HIS H 1.800 . 5.500 4.284 4.096 4.477 . 0 0 "[ . 1]" 1 356 1 150 VAL HB 1 157 HIS H 1.800 . 4.300 2.872 2.641 3.022 . 0 0 "[ . 1]" 1 357 1 150 VAL MG1 1 157 HIS QB 1.800 . 5.500 3.338 2.837 3.646 . 0 0 "[ . 1]" 1 358 1 150 VAL H 1 157 HIS QB 1.800 . 4.300 3.894 3.624 4.154 . 0 0 "[ . 1]" 1 359 1 150 VAL H 1 156 ILE HA 1.800 . 4.800 3.907 3.447 4.221 . 0 0 "[ . 1]" 1 360 1 150 VAL H 1 151 PHE H 1.800 . 5.500 4.261 4.146 4.323 . 0 0 "[ . 1]" 1 361 1 150 VAL H 1 156 ILE MG 1.800 . 4.300 2.641 2.278 2.917 . 0 0 "[ . 1]" 1 362 1 150 VAL H 1 157 HIS H 1.800 . 3.300 2.510 2.117 2.799 . 0 0 "[ . 1]" 1 363 1 150 VAL H 1 158 ILE HA 1.800 . 4.300 3.972 3.662 4.089 . 0 0 "[ . 1]" 1 364 1 151 PHE H 1 152 THR H 1.800 . 5.500 4.417 4.317 4.466 . 0 0 "[ . 1]" 1 365 1 151 PHE HA 1 152 THR H 1.800 . 3.800 2.133 2.124 2.157 . 0 0 "[ . 1]" 1 366 1 151 PHE HA 1 156 ILE HA 1.800 . 2.700 2.476 2.374 2.604 . 0 0 "[ . 1]" 1 367 1 151 PHE HA 1 157 HIS H 1.800 . 4.300 3.811 3.640 4.075 . 0 0 "[ . 1]" 1 368 1 151 PHE HD1 1 156 ILE MG 1.800 . 5.500 4.328 3.885 4.621 . 0 0 "[ . 1]" 1 369 1 151 PHE HD2 1 156 ILE MD 1.800 . 4.800 3.935 3.648 4.255 . 0 0 "[ . 1]" 1 370 1 151 PHE HD2 1 156 ILE HG13 1.800 . 4.300 3.890 3.635 4.241 . 0 0 "[ . 1]" 1 371 1 151 PHE HD2 1 156 ILE MG 1.800 . 5.500 4.783 4.247 5.021 . 0 0 "[ . 1]" 1 372 1 151 PHE HE1 1 156 ILE MG 1.800 . 5.500 4.076 3.618 4.514 . 0 0 "[ . 1]" 1 373 1 151 PHE HE2 1 156 ILE MD 1.800 . 3.300 2.610 2.212 3.068 . 0 0 "[ . 1]" 1 374 1 151 PHE HE2 1 156 ILE HG13 1.800 . 4.300 3.777 3.360 4.304 0.004 9 0 "[ . 1]" 1 375 1 151 PHE HZ 1 156 ILE MD 1.800 . 4.300 2.923 2.374 3.634 . 0 0 "[ . 1]" 1 376 1 152 THR H 1 156 ILE HA 1.800 . 4.800 3.499 3.294 3.619 . 0 0 "[ . 1]" 1 377 1 152 THR HA 1 153 ASP H 1.800 . 3.300 2.460 2.274 2.565 . 0 0 "[ . 1]" 1 378 1 152 THR HB 1 153 ASP H 1.800 . 2.700 2.391 2.112 2.665 . 0 0 "[ . 1]" 1 379 1 153 ASP HB3 1 154 SER H 1.800 . 3.800 3.368 2.929 3.843 0.043 7 0 "[ . 1]" 1 380 1 153 ASP HA 1 154 SER H 1.800 . 5.500 3.547 3.500 3.575 . 0 0 "[ . 1]" 1 381 1 153 ASP HA 1 155 GLY H 1.800 . 5.500 4.963 4.646 5.504 0.004 1 0 "[ . 1]" 1 382 1 153 ASP HB2 1 154 SER H 1.800 . 3.300 2.762 2.070 3.311 0.011 6 0 "[ . 1]" 1 383 1 153 ASP H 1 154 SER H 1.800 . 3.800 3.199 2.900 3.788 . 0 0 "[ . 1]" 1 384 1 154 SER H 1 155 GLY H 1.800 . 3.800 2.688 2.456 3.029 . 0 0 "[ . 1]" 1 385 1 154 SER HA 1 155 GLY H 1.800 . 4.800 3.566 3.547 3.583 . 0 0 "[ . 1]" 1 386 1 154 SER HB2 1 155 GLY H 1.800 . 3.300 2.735 2.017 3.301 0.001 6 0 "[ . 1]" 1 387 1 154 SER HB3 1 155 GLY H 1.800 . 4.300 3.526 2.928 4.134 . 0 0 "[ . 1]" 1 388 1 155 GLY H 1 156 ILE H 1.800 . 4.800 4.115 3.931 4.238 . 0 0 "[ . 1]" 1 389 1 155 GLY HA3 1 156 ILE H 1.800 . 3.300 2.168 2.145 2.198 . 0 0 "[ . 1]" 1 390 1 155 GLY HA2 1 156 ILE H 1.800 . 5.500 3.158 3.038 3.328 . 0 0 "[ . 1]" 1 391 1 156 ILE HA 1 157 HIS H 1.800 . 2.700 2.192 2.158 2.251 . 0 0 "[ . 1]" 1 392 1 156 ILE HA 1 156 ILE HG12 1.800 . 3.300 2.554 2.461 2.669 . 0 0 "[ . 1]" 1 393 1 156 ILE H 1 156 ILE HB 1.800 . 3.300 2.613 2.565 2.704 . 0 0 "[ . 1]" 1 394 1 156 ILE MG 1 157 HIS H 1.800 . 3.800 2.433 2.167 2.667 . 0 0 "[ . 1]" 1 395 1 156 ILE MG 1 157 HIS HA 1.800 . 5.500 3.606 3.449 3.774 . 0 0 "[ . 1]" 1 396 1 156 ILE H 1 157 HIS H 1.800 . 4.800 4.506 4.436 4.561 . 0 0 "[ . 1]" 1 397 1 157 HIS HA 1 158 ILE H 1.800 . 2.700 2.173 2.142 2.199 . 0 0 "[ . 1]" 1 398 1 157 HIS QB 1 158 ILE H 1.800 . 2.700 2.736 2.708 2.772 0.072 10 0 "[ . 1]" 1 399 1 157 HIS HA 1 157 HIS QB . 2.500 2.700 2.380 2.342 2.425 0.158 3 0 "[ . 1]" 1 400 1 157 HIS H 1 157 HIS QB 1.800 . 3.300 2.616 2.494 2.713 . 0 0 "[ . 1]" 1 401 1 157 HIS H 1 158 ILE H 1.800 . 4.800 4.394 4.323 4.464 . 0 0 "[ . 1]" 1 402 1 158 ILE HA 1 159 ILE H 1.800 . 2.700 2.241 2.166 2.365 . 0 0 "[ . 1]" 1 403 1 158 ILE H 1 159 ILE H 1.800 . 4.800 4.382 4.268 4.478 . 0 0 "[ . 1]" 1 404 1 158 ILE HB 1 159 ILE H 1.800 . 4.800 4.251 4.026 4.462 . 0 0 "[ . 1]" 1 405 1 158 ILE H 1 158 ILE HB 1.800 . 3.300 2.520 2.443 2.575 . 0 0 "[ . 1]" 1 406 1 158 ILE MG 1 159 ILE H 1.800 . 4.800 2.445 1.947 2.890 . 0 0 "[ . 1]" 1 407 1 159 ILE HA 1 160 LEU H 1.800 . 2.700 2.276 2.203 2.329 . 0 0 "[ . 1]" 1 408 1 159 ILE H 1 160 LEU H 1.800 . 4.800 4.477 4.413 4.546 . 0 0 "[ . 1]" 1 409 1 160 LEU HA 1 161 ARG H 1.800 . 3.300 2.169 2.145 2.261 . 0 0 "[ . 1]" 1 410 1 160 LEU H 1 161 ARG H 1.800 . 4.800 4.050 3.770 4.346 . 0 0 "[ . 1]" 1 411 1 160 LEU MD2 1 161 ARG H 1.800 . 4.800 4.348 3.268 4.810 0.010 10 0 "[ . 1]" 1 412 1 161 ARG HA 1 162 THR H 1.800 . 2.700 2.153 2.142 2.164 . 0 0 "[ . 1]" 1 413 1 161 ARG HA 1 161 ARG QG 2.000 . 3.500 2.493 2.205 3.106 . 0 0 "[ . 1]" 1 414 1 161 ARG HA 1 161 ARG QB 2.000 . 3.500 2.385 2.270 2.472 . 0 0 "[ . 1]" 1 415 1 161 ARG QG 1 162 THR H 2.500 2.500 4.000 2.816 2.507 3.160 . 0 0 "[ . 1]" 1 416 1 161 ARG QG 1 163 GLU H 2.500 2.500 4.000 3.257 2.731 3.729 . 0 0 "[ . 1]" 1 417 1 161 ARG H 1 162 THR H 1.800 . 4.800 4.522 4.439 4.579 . 0 0 "[ . 1]" 1 418 1 162 THR HA 1 163 GLU H 1.800 . 4.300 3.551 3.498 3.569 . 0 0 "[ . 1]" 1 419 1 162 THR H 1 163 GLU H 1.800 . 2.700 2.306 2.142 2.506 . 0 0 "[ . 1]" 1 420 1 52 PRO HA 1 53 ALA H 1.800 . 2.700 2.191 2.152 2.269 . 0 0 "[ . 1]" 1 421 1 52 PRO HB3 1 53 ALA H 1.800 . 4.300 4.099 3.627 4.348 0.048 8 0 "[ . 1]" 1 422 1 52 PRO HB2 1 53 ALA H 1.800 . 4.800 3.698 2.991 4.142 . 0 0 "[ . 1]" 1 423 1 52 PRO HB2 1 54 ARG H 1.800 . 4.800 2.875 2.173 4.383 . 0 0 "[ . 1]" 1 424 1 52 PRO HB2 1 55 VAL MG1 1.800 . 5.500 3.129 2.496 4.136 . 0 0 "[ . 1]" 1 425 1 52 PRO HB3 1 55 VAL MG1 1.800 . 5.500 4.224 2.975 5.311 . 0 0 "[ . 1]" 1 426 1 52 PRO HD3 1 55 VAL MG1 1.800 . 5.500 5.434 5.154 5.514 0.014 3 0 "[ . 1]" 1 427 1 53 ALA HA 1 54 ARG H 1.800 . 3.800 3.330 3.222 3.473 . 0 0 "[ . 1]" 1 428 1 53 ALA HA 1 139 PHE HE2 1.800 . 5.500 4.018 3.353 4.518 . 0 0 "[ . 1]" 1 429 1 53 ALA H 1 54 ARG H 1.800 . 4.800 2.552 2.317 2.620 . 0 0 "[ . 1]" 1 430 1 53 ALA MB 1 54 ARG H 1.800 . 4.800 3.230 2.891 3.409 . 0 0 "[ . 1]" 1 431 1 54 ARG HA 1 125 PHE H 1.800 . 4.800 4.596 4.506 4.713 . 0 0 "[ . 1]" 1 432 1 54 ARG HA 1 126 SER HA 1.800 . 2.700 2.221 2.068 2.335 . 0 0 "[ . 1]" 1 433 1 54 ARG HA 1 126 SER H 1.800 . 5.500 4.676 4.540 4.805 . 0 0 "[ . 1]" 1 434 1 54 ARG HA 1 127 ARG H 1.800 . 3.300 3.340 3.325 3.356 0.056 10 0 "[ . 1]" 1 435 1 54 ARG HA 1 139 PHE HZ 1.800 . 3.300 3.008 2.620 3.297 . 0 0 "[ . 1]" 1 436 1 54 ARG HA 1 55 VAL H 1.800 . 2.700 2.277 2.190 2.469 . 0 0 "[ . 1]" 1 437 1 54 ARG QB 1 55 VAL H 1.800 . 4.800 3.193 2.349 3.608 . 0 0 "[ . 1]" 1 438 1 54 ARG QB 1 126 SER HA 1.800 . 5.500 2.789 2.334 3.834 . 0 0 "[ . 1]" 1 439 1 54 ARG QG 1 55 VAL H 1.800 . 3.300 2.807 1.958 3.312 0.012 1 0 "[ . 1]" 1 440 1 54 ARG QG 1 124 ALA MB 1.800 . 3.300 2.320 2.043 3.305 0.005 1 0 "[ . 1]" 1 441 1 54 ARG QG 1 125 PHE H 1.800 . 3.800 3.355 2.864 3.835 0.035 2 0 "[ . 1]" 1 442 1 54 ARG QG 1 126 SER HA 1.800 . 5.500 3.913 1.902 4.629 . 0 0 "[ . 1]" 1 443 1 55 VAL HA 1 56 ARG H 1.800 . 2.700 2.413 2.277 2.485 . 0 0 "[ . 1]" 1 444 1 55 VAL HB 1 56 ARG HA 1.800 . 4.800 4.522 4.432 4.608 . 0 0 "[ . 1]" 1 445 1 55 VAL HA 1 163 GLU H 1.800 . 5.500 5.275 5.159 5.436 . 0 0 "[ . 1]" 1 446 1 55 VAL HB 1 56 ARG H 1.800 . 2.700 2.381 2.233 2.699 . 0 0 "[ . 1]" 1 447 1 55 VAL H 1 125 PHE H 1.800 . 3.300 2.984 2.585 3.202 . 0 0 "[ . 1]" 1 448 1 55 VAL H 1 125 PHE HA 1.800 . 5.500 4.798 4.521 5.034 . 0 0 "[ . 1]" 1 449 1 55 VAL H 1 126 SER HA 1.800 . 4.300 3.706 3.529 3.913 . 0 0 "[ . 1]" 1 450 1 55 VAL H 1 139 PHE HZ 1.800 . 3.800 3.578 3.334 3.803 0.003 8 0 "[ . 1]" 1 451 1 55 VAL MG2 1 125 PHE H 1.800 . 5.500 3.631 3.346 3.872 . 0 0 "[ . 1]" 1 452 1 55 VAL MG2 1 125 PHE QD 1.800 . 5.500 3.532 3.071 3.931 . 0 0 "[ . 1]" 1 453 1 55 VAL MG2 1 125 PHE QE 1.800 . 4.300 2.833 2.461 3.269 . 0 0 "[ . 1]" 1 454 1 55 VAL MG2 1 125 PHE HZ 1.800 . 4.300 3.176 2.891 3.570 . 0 0 "[ . 1]" 1 455 1 55 VAL MG2 1 139 PHE HA 1.800 . 5.500 3.465 2.864 3.794 . 0 0 "[ . 1]" 1 456 1 55 VAL MG1 1 139 PHE HD2 1.800 . 5.500 4.105 2.991 4.691 . 0 0 "[ . 1]" 1 457 1 55 VAL MG1 1 139 PHE H 3.000 3.000 6.700 5.672 4.996 6.115 . 0 0 "[ . 1]" 1 458 1 55 VAL MG1 1 161 ARG QD 1.800 . 5.500 4.321 3.255 4.763 . 0 0 "[ . 1]" 1 459 1 55 VAL MG2 1 139 PHE H 3.000 3.000 6.700 4.465 4.234 4.701 . 0 0 "[ . 1]" 1 460 1 55 VAL MG1 1 139 PHE HA 1.800 . 4.800 3.720 3.196 4.187 . 0 0 "[ . 1]" 1 461 1 55 VAL MG1 1 139 PHE HE2 1.800 . 5.500 3.547 2.238 4.142 . 0 0 "[ . 1]" 1 462 1 55 VAL MG2 1 139 PHE HE1 1.800 . 5.500 2.500 2.281 2.919 . 0 0 "[ . 1]" 1 463 1 55 VAL MG2 1 139 PHE HD1 1.800 . 5.500 3.227 2.944 3.483 . 0 0 "[ . 1]" 1 464 1 55 VAL MG2 1 139 PHE HZ 1.800 . 5.500 2.802 2.217 3.299 . 0 0 "[ . 1]" 1 465 1 55 VAL MG2 1 138 SER HA 1.800 . 5.500 5.069 4.879 5.288 . 0 0 "[ . 1]" 1 466 1 55 VAL MG2 1 138 SER HB2 1.800 . 4.800 4.607 4.405 4.813 0.013 3 0 "[ . 1]" 1 467 1 56 ARG HA 1 124 ALA HA 1.800 . 2.700 2.225 1.926 2.459 . 0 0 "[ . 1]" 1 468 1 56 ARG HA 1 57 CYS H 1.800 . 2.700 2.152 2.138 2.173 . 0 0 "[ . 1]" 1 469 1 56 ARG QB 1 163 GLU H 1.800 . 3.300 2.391 1.988 2.840 . 0 0 "[ . 1]" 1 470 1 56 ARG QB 1 57 CYS H 1.800 . 4.800 3.780 3.602 3.883 . 0 0 "[ . 1]" 1 471 1 56 ARG QG 1 57 CYS H 1.800 . 3.300 2.841 2.652 3.108 . 0 0 "[ . 1]" 1 472 1 56 ARG H 1 162 THR H 1.800 . 4.300 4.340 4.317 4.375 0.075 2 0 "[ . 1]" 1 473 1 56 ARG H 1 163 GLU H 1.800 . 4.300 3.080 2.949 3.189 . 0 0 "[ . 1]" 1 474 1 56 ARG H 1 57 CYS H 1.800 . 4.800 4.353 4.254 4.445 . 0 0 "[ . 1]" 1 475 1 56 ARG H 1 124 ALA HA 1.800 . 4.800 4.058 3.741 4.459 . 0 0 "[ . 1]" 1 476 1 57 CYS HA 1 160 LEU H 1.800 . 5.500 4.320 4.186 4.428 . 0 0 "[ . 1]" 1 477 1 57 CYS HA 1 159 ILE MG 1.800 . 5.500 4.076 3.865 4.423 . 0 0 "[ . 1]" 1 478 1 57 CYS HA 1 161 ARG HA 1.800 . 2.700 2.675 2.330 2.726 0.026 8 0 "[ . 1]" 1 479 1 57 CYS HA 1 162 THR H 1.800 . 3.300 2.514 2.424 2.595 . 0 0 "[ . 1]" 1 480 1 57 CYS HA 1 162 THR MG 1.800 . 5.500 4.004 2.400 4.618 . 0 0 "[ . 1]" 1 481 1 57 CYS HA 1 58 SER H 1.800 . 2.700 2.282 2.263 2.349 . 0 0 "[ . 1]" 1 482 1 57 CYS H 1 57 CYS QB 1.800 . 3.300 2.737 2.636 2.865 . 0 0 "[ . 1]" 1 483 1 57 CYS QB 1 58 SER H 1.800 . 2.700 2.617 2.462 2.654 . 0 0 "[ . 1]" 1 484 1 57 CYS QB 1 159 ILE MG 1.800 . 3.800 2.185 2.009 2.383 . 0 0 "[ . 1]" 1 485 1 57 CYS QB 1 161 ARG HA 1.800 . 3.800 3.204 2.886 3.515 . 0 0 "[ . 1]" 1 486 1 57 CYS QB 1 125 PHE QE 1.800 . 2.700 2.250 1.976 2.658 . 0 0 "[ . 1]" 1 487 1 57 CYS QB 1 125 PHE HZ 1.800 . 4.800 1.942 1.872 2.131 . 0 0 "[ . 1]" 1 488 1 57 CYS QB 1 134 PHE HZ 1.800 . 4.300 3.789 3.703 3.852 . 0 0 "[ . 1]" 1 489 1 57 CYS H 1 58 SER H 1.800 . 4.800 4.389 4.350 4.426 . 0 0 "[ . 1]" 1 490 1 58 SER HA 1 121 ASP HA 1.800 . 2.700 2.053 1.964 2.452 . 0 0 "[ . 1]" 1 491 1 58 SER HA 1 122 LEU H 1.800 . 3.300 2.326 2.010 2.798 . 0 0 "[ . 1]" 1 492 1 58 SER HA 1 122 LEU HG 1.800 . 3.800 3.249 2.735 3.803 0.003 3 0 "[ . 1]" 1 493 1 58 SER HA 1 122 LEU MD1 1.800 . 5.500 3.706 2.677 4.534 . 0 0 "[ . 1]" 1 494 1 58 SER HA 1 122 LEU MD2 1.800 . 5.500 4.589 3.946 5.005 . 0 0 "[ . 1]" 1 495 1 58 SER HA 1 122 LEU QB 1.800 . 5.500 4.098 3.365 4.797 . 0 0 "[ . 1]" 1 496 1 58 SER HA 1 160 LEU H 1.800 . 5.500 4.668 4.532 4.800 . 0 0 "[ . 1]" 1 497 1 58 SER HA 1 103 PHE HE1 1.800 . 5.500 4.528 4.301 4.743 . 0 0 "[ . 1]" 1 498 1 58 SER HA 1 59 HIS H 1.800 . 2.700 2.341 2.294 2.381 . 0 0 "[ . 1]" 1 499 1 58 SER HB2 1 59 HIS H 1.800 . 3.300 3.286 3.207 3.313 0.013 7 0 "[ . 1]" 1 500 1 58 SER HB2 1 103 PHE HE1 1.800 . 3.300 2.951 2.784 3.146 . 0 0 "[ . 1]" 1 501 1 58 SER HB3 1 160 LEU MD2 1.800 . 5.500 4.625 4.071 5.330 . 0 0 "[ . 1]" 1 502 1 58 SER HB3 1 160 LEU QB 1.800 . 4.800 4.567 4.238 4.816 0.016 3 0 "[ . 1]" 1 503 1 58 SER HB3 1 59 HIS H 1.800 . 4.800 3.094 2.935 3.308 . 0 0 "[ . 1]" 1 504 1 58 SER HB3 1 59 HIS HA 1.800 . 5.500 5.024 4.896 5.203 . 0 0 "[ . 1]" 1 505 1 58 SER HB3 1 103 PHE HE1 1.800 . 3.800 3.748 3.266 3.808 0.008 7 0 "[ . 1]" 1 506 1 58 SER HB2 1 59 HIS HA 1.800 . 4.800 4.074 4.036 4.113 . 0 0 "[ . 1]" 1 507 1 58 SER H 1 160 LEU H 1.800 . 3.300 2.699 2.552 2.830 . 0 0 "[ . 1]" 1 508 1 58 SER H 1 103 PHE HE1 1.800 . 5.500 5.477 5.162 5.517 0.017 1 0 "[ . 1]" 1 509 1 58 SER H 1 160 LEU QB 1.800 . 5.500 3.168 2.891 3.333 . 0 0 "[ . 1]" 1 510 1 58 SER H 1 161 ARG HA 1.800 . 4.300 3.953 3.563 4.069 . 0 0 "[ . 1]" 1 511 1 58 SER H 1 59 HIS H 1.800 . 4.800 4.490 4.461 4.501 . 0 0 "[ . 1]" 1 512 1 59 HIS HA 1 158 ILE H 1.800 . 4.800 4.153 3.997 4.256 . 0 0 "[ . 1]" 1 513 1 59 HIS HA 1 134 PHE HZ 1.800 . 5.500 4.488 4.240 4.894 . 0 0 "[ . 1]" 1 514 1 59 HIS HA 1 157 HIS QB 1.800 . 5.500 5.067 4.878 5.201 . 0 0 "[ . 1]" 1 515 1 59 HIS HA 1 122 LEU MD1 1.800 . 5.500 4.844 4.123 5.386 . 0 0 "[ . 1]" 1 516 1 59 HIS HA 1 159 ILE HA 1.800 . 2.700 2.377 2.255 2.528 . 0 0 "[ . 1]" 1 517 1 59 HIS HA 1 159 ILE H 1.800 . 5.500 4.586 4.377 4.762 . 0 0 "[ . 1]" 1 518 1 59 HIS HA 1 160 LEU H 1.800 . 4.300 3.777 3.599 3.955 . 0 0 "[ . 1]" 1 519 1 59 HIS HA 1 60 LEU H 1.800 . 2.700 2.356 2.285 2.439 . 0 0 "[ . 1]" 1 520 1 59 HIS HA 1 60 LEU HA 1.800 . 5.500 4.440 4.412 4.467 . 0 0 "[ . 1]" 1 521 1 59 HIS HA 1 103 PHE HZ 1.800 . 2.300 2.188 1.987 2.328 0.028 1 0 "[ . 1]" 1 522 1 59 HIS QB 1 60 LEU H 1.800 . 2.700 2.586 2.413 2.689 . 0 0 "[ . 1]" 1 523 1 59 HIS QB 1 122 LEU MD1 1.800 . 4.800 2.760 2.275 3.374 . 0 0 "[ . 1]" 1 524 1 59 HIS QB 1 134 PHE HZ 1.800 . 3.800 1.960 1.786 2.295 0.014 6 0 "[ . 1]" 1 525 1 59 HIS QB 1 159 ILE HA 1.800 . 3.300 2.736 2.257 2.950 . 0 0 "[ . 1]" 1 526 1 59 HIS QB 1 157 HIS HA 1.800 . 4.800 4.704 4.673 4.722 . 0 0 "[ . 1]" 1 527 1 59 HIS QB 1 159 ILE HG12 1.800 . 3.300 2.895 2.763 2.968 . 0 0 "[ . 1]" 1 528 1 59 HIS HE1 1 61 LEU QB 1.800 . 4.300 2.863 1.982 3.447 . 0 0 "[ . 1]" 1 529 1 59 HIS HE1 1 61 LEU MD2 1.800 . 5.500 3.457 2.795 3.872 . 0 0 "[ . 1]" 1 530 1 59 HIS HE1 1 61 LEU MD1 1.800 . 5.500 4.721 4.115 5.266 . 0 0 "[ . 1]" 1 531 1 59 HIS HE1 1 113 CYS HB3 1.800 . 4.300 3.600 3.205 3.966 . 0 0 "[ . 1]" 1 532 1 59 HIS HE1 1 113 CYS HB2 1.800 . 3.800 3.649 3.095 3.812 0.012 6 0 "[ . 1]" 1 533 1 59 HIS HE1 1 134 PHE QE 1.800 . 4.800 4.230 3.641 4.779 . 0 0 "[ . 1]" 1 534 1 59 HIS HE1 1 122 LEU MD1 1.800 . 5.500 4.248 3.533 4.965 . 0 0 "[ . 1]" 1 535 1 59 HIS HE1 1 122 LEU MD2 1.800 . 5.500 4.048 2.944 4.699 . 0 0 "[ . 1]" 1 536 1 59 HIS HD2 1 122 LEU MD2 1.800 . 4.800 2.673 2.096 3.087 . 0 0 "[ . 1]" 1 537 1 59 HIS HD2 1 122 LEU MD1 1.800 . 4.800 2.811 1.967 3.709 . 0 0 "[ . 1]" 1 538 1 59 HIS H 1 120 GLY H 1.800 . 5.500 5.243 4.972 5.511 0.011 9 0 "[ . 1]" 1 539 1 59 HIS H 1 121 ASP HA 1.800 . 4.300 3.626 3.377 4.033 . 0 0 "[ . 1]" 1 540 1 59 HIS H 1 122 LEU H 1.800 . 5.500 3.909 3.607 4.313 . 0 0 "[ . 1]" 1 541 1 59 HIS H 1 122 LEU HG 1.800 . 3.800 3.389 3.155 3.667 . 0 0 "[ . 1]" 1 542 1 59 HIS H 1 122 LEU MD1 1.800 . 5.500 3.789 3.039 4.243 . 0 0 "[ . 1]" 1 543 1 59 HIS H 1 122 LEU MD2 1.800 . 5.500 4.263 3.691 4.585 . 0 0 "[ . 1]" 1 544 1 59 HIS H 1 103 PHE HE1 1.800 . 4.300 3.000 2.756 3.317 . 0 0 "[ . 1]" 1 545 1 60 LEU HA 1 61 LEU H 1.800 . 2.700 2.173 2.154 2.220 . 0 0 "[ . 1]" 1 546 1 60 LEU HA 1 107 ALA MB 1.800 . 5.500 3.107 2.838 3.329 . 0 0 "[ . 1]" 1 547 1 60 LEU HA 1 107 ALA HA 1.800 . 3.800 3.834 3.802 3.899 0.099 8 0 "[ . 1]" 1 548 1 60 LEU HA 1 111 SER HA 1.800 . 3.800 3.453 2.751 3.788 . 0 0 "[ . 1]" 1 549 1 60 LEU H 1 157 HIS HA 1.800 . 4.800 4.003 3.891 4.223 . 0 0 "[ . 1]" 1 550 1 60 LEU H 1 158 ILE H 1.800 . 3.300 2.340 2.221 2.636 . 0 0 "[ . 1]" 1 551 1 60 LEU H 1 103 PHE HZ 1.800 . 3.300 2.791 2.166 3.099 . 0 0 "[ . 1]" 1 552 1 60 LEU H 1 159 ILE HA 1.800 . 4.300 4.048 3.932 4.174 . 0 0 "[ . 1]" 1 553 1 60 LEU H 1 61 LEU H 1.800 . 4.800 4.130 4.007 4.411 . 0 0 "[ . 1]" 1 554 1 60 LEU MD1 1 107 ALA HA 1.800 . 4.300 2.720 1.893 4.266 . 0 0 "[ . 1]" 1 555 1 60 LEU H 1 61 LEU HA 1.800 . 5.500 4.649 4.558 4.803 . 0 0 "[ . 1]" 1 556 1 60 LEU MD1 1 110 PHE HB2 1.800 . 4.800 2.815 1.927 4.332 . 0 0 "[ . 1]" 1 557 1 60 LEU MD1 1 110 PHE HD2 1.800 . 5.500 3.647 2.655 4.833 . 0 0 "[ . 1]" 1 558 1 60 LEU MD1 1 111 SER H 1.800 . 5.500 5.012 4.217 5.572 0.072 8 0 "[ . 1]" 1 559 1 60 LEU MD1 1 92 TYR HB3 1.800 . 4.800 3.278 2.595 4.057 . 0 0 "[ . 1]" 1 560 1 60 LEU MD2 1 62 VAL MG2 1.800 . 4.800 2.008 1.765 2.459 0.035 4 0 "[ . 1]" 1 561 1 60 LEU MD2 1 110 PHE HB3 1.800 . 5.500 3.074 2.562 4.605 . 0 0 "[ . 1]" 1 562 1 60 LEU MD2 1 92 TYR HD2 1.800 . 3.800 3.189 2.304 3.824 0.024 6 0 "[ . 1]" 1 563 1 60 LEU MD2 1 92 TYR HE2 1.800 . 4.800 2.762 1.966 3.367 . 0 0 "[ . 1]" 1 564 1 60 LEU MD2 1 61 LEU H 1.800 . 3.800 2.675 2.249 3.803 0.003 8 0 "[ . 1]" 1 565 1 61 LEU HA 1 157 HIS HA 1.800 . 2.700 2.615 2.393 2.744 0.044 8 0 "[ . 1]" 1 566 1 61 LEU HA 1 158 ILE H 1.800 . 4.300 4.027 3.772 4.186 . 0 0 "[ . 1]" 1 567 1 61 LEU HA 1 62 VAL H 1.800 . 2.700 2.168 2.148 2.211 . 0 0 "[ . 1]" 1 568 1 61 LEU QB 1 112 ASP H 1.800 . 4.300 3.109 2.777 3.494 . 0 0 "[ . 1]" 1 569 1 61 LEU QB 1 113 CYS H 1.800 . 4.800 2.840 2.090 3.722 . 0 0 "[ . 1]" 1 570 1 61 LEU QB 1 157 HIS HA 1.800 . 5.500 4.210 3.828 4.432 . 0 0 "[ . 1]" 1 571 1 61 LEU MD1 1 62 VAL H 1.800 . 4.300 1.881 1.843 1.935 . 0 0 "[ . 1]" 1 572 1 61 LEU MD1 1 156 ILE H 1.800 . 5.500 3.224 3.080 3.485 . 0 0 "[ . 1]" 1 573 1 61 LEU MD1 1 155 GLY HA2 1.800 . 4.800 4.313 4.119 4.791 . 0 0 "[ . 1]" 1 574 1 61 LEU MD1 1 63 LYS HA 1.800 . 5.500 3.062 2.842 3.355 . 0 0 "[ . 1]" 1 575 1 61 LEU MD1 1 157 HIS HA 1.800 . 5.500 3.580 3.293 3.909 . 0 0 "[ . 1]" 1 576 1 61 LEU MD2 1 113 CYS HB2 1.800 . 4.300 2.043 1.859 3.255 . 0 0 "[ . 1]" 1 577 1 61 LEU H 1 111 SER HA 1.800 . 3.300 2.876 2.052 3.215 . 0 0 "[ . 1]" 1 578 1 61 LEU H 1 112 ASP H 1.800 . 3.800 3.330 2.523 3.644 . 0 0 "[ . 1]" 1 579 1 61 LEU H 1 113 CYS HB3 1.800 . 4.300 4.243 3.508 4.334 0.034 10 0 "[ . 1]" 1 580 1 61 LEU H 1 113 CYS HB2 1.800 . 4.300 3.963 3.747 4.450 0.150 5 0 "[ . 1]" 1 581 1 62 VAL HA 1 63 LYS H 1.800 . 3.800 2.230 2.178 2.300 . 0 0 "[ . 1]" 1 582 1 62 VAL HA 1 92 TYR HE2 1.800 . 5.500 5.506 5.370 5.552 0.052 5 0 "[ . 1]" 1 583 1 62 VAL HA 1 112 ASP H 1.800 . 3.800 3.811 3.554 3.879 0.079 9 0 "[ . 1]" 1 584 1 62 VAL HB 1 89 ILE MD 1.800 . 4.300 2.123 1.833 2.942 . 0 0 "[ . 1]" 1 585 1 62 VAL HB 1 89 ILE H 1.800 . 4.800 4.442 4.147 4.674 . 0 0 "[ . 1]" 1 586 1 62 VAL HB 1 89 ILE HA 1.800 . 5.500 5.198 4.989 5.513 0.013 3 0 "[ . 1]" 1 587 1 62 VAL HB 1 92 TYR HE2 1.800 . 5.500 4.694 4.177 5.029 . 0 0 "[ . 1]" 1 588 1 62 VAL MG1 1 63 LYS H 1.800 . 5.500 3.291 2.952 3.522 . 0 0 "[ . 1]" 1 589 1 62 VAL MG2 1 63 LYS H 1.800 . 5.500 4.228 4.141 4.330 . 0 0 "[ . 1]" 1 590 1 62 VAL MG1 1 85 ALA MB 1.800 . 4.300 2.603 1.917 3.624 . 0 0 "[ . 1]" 1 591 1 62 VAL MG1 1 85 ALA H 1.800 . 5.500 4.589 4.126 5.151 . 0 0 "[ . 1]" 1 592 1 62 VAL MG1 1 88 LEU MD1 1.800 . 4.800 2.931 1.820 3.884 . 0 0 "[ . 1]" 1 593 1 62 VAL MG1 1 80 ARG QG 1.800 . 4.300 3.628 2.492 4.344 0.044 5 0 "[ . 1]" 1 594 1 62 VAL MG2 1 92 TYR HE2 1.800 . 3.800 2.179 1.913 2.378 . 0 0 "[ . 1]" 1 595 1 62 VAL MG1 1 92 TYR HE2 1.800 . 5.500 3.798 3.495 4.155 . 0 0 "[ . 1]" 1 596 1 62 VAL H 1 156 ILE H 1.800 . 3.300 3.322 3.308 3.340 0.040 4 0 "[ . 1]" 1 597 1 62 VAL H 1 157 HIS HA 1.800 . 4.300 3.579 3.489 3.669 . 0 0 "[ . 1]" 1 598 1 62 VAL H 1 63 LYS H 1.800 . 4.800 3.714 3.563 3.974 . 0 0 "[ . 1]" 1 599 1 62 VAL H 1 89 ILE MD 1.800 . 4.300 3.219 2.790 3.801 . 0 0 "[ . 1]" 1 600 1 63 LYS HA 1 155 GLY HA3 1.800 . 3.300 2.112 1.872 2.364 . 0 0 "[ . 1]" 1 601 1 63 LYS HA 1 155 GLY HA2 1.800 . 3.800 3.594 3.361 3.809 0.009 6 0 "[ . 1]" 1 602 1 63 LYS HA 1 156 ILE H 1.800 . 4.300 3.211 2.405 3.656 . 0 0 "[ . 1]" 1 603 1 63 LYS HA 1 64 HIS H 1.800 . 2.700 2.482 2.328 2.736 0.036 4 0 "[ . 1]" 1 604 1 63 LYS HA 1 64 HIS HB2 1.800 . 5.500 5.564 5.552 5.574 0.074 10 0 "[ . 1]" 1 605 1 63 LYS HA 1 64 HIS HB3 1.800 . 5.500 4.510 4.471 4.541 . 0 0 "[ . 1]" 1 606 1 63 LYS H 1 64 HIS H 1.800 . 5.500 4.581 4.495 4.627 . 0 0 "[ . 1]" 1 607 1 64 HIS HA 1 65 SER H 1.800 . 3.300 2.557 2.377 2.746 . 0 0 "[ . 1]" 1 608 1 64 HIS HA 1 78 ILE MG 1.800 . 3.800 3.030 2.514 3.387 . 0 0 "[ . 1]" 1 609 1 64 HIS HA 1 80 ARG QG 1.800 . 3.800 3.100 1.744 3.713 0.056 4 0 "[ . 1]" 1 610 1 64 HIS HB3 1 85 ALA MB 1.800 . 4.300 2.128 1.940 2.491 . 0 0 "[ . 1]" 1 611 1 64 HIS HB3 1 78 ILE MG 1.800 . 5.500 4.859 4.400 5.213 . 0 0 "[ . 1]" 1 612 1 64 HIS H 1 78 ILE MG 1.800 . 5.500 3.632 2.607 4.290 . 0 0 "[ . 1]" 1 613 1 64 HIS HB2 1 65 SER H 1.800 . 2.700 2.152 1.850 2.526 . 0 0 "[ . 1]" 1 614 1 64 HIS HD2 1 85 ALA MB 1.800 . 4.300 3.252 2.578 3.783 . 0 0 "[ . 1]" 1 615 1 64 HIS HD2 1 156 ILE HG13 1.800 . 2.700 2.301 1.915 2.703 0.003 10 0 "[ . 1]" 1 616 1 64 HIS HD2 1 156 ILE MD 1.800 . 4.800 3.501 2.998 3.974 . 0 0 "[ . 1]" 1 617 1 64 HIS HD2 1 156 ILE HB 1.800 . 5.500 4.242 3.893 4.637 . 0 0 "[ . 1]" 1 618 1 64 HIS HE1 1 66 GLN QG 1.800 . 4.800 4.380 3.695 4.775 . 0 0 "[ . 1]" 1 619 1 64 HIS HE1 1 66 GLN H 1.800 . 4.300 3.923 3.723 4.151 . 0 0 "[ . 1]" 1 620 1 63 LYS QB 1 64 HIS H 1.800 . 3.800 2.328 1.801 2.821 . 0 0 "[ . 1]" 1 621 1 63 LYS H 1 112 ASP HB2 1.800 . 3.300 2.905 2.428 3.305 0.005 9 0 "[ . 1]" 1 622 1 65 SER H 1 66 GLN H 1.800 . 3.300 2.735 2.613 2.836 . 0 0 "[ . 1]" 1 623 1 65 SER HA 1 66 GLN H 1.800 . 4.800 3.427 3.263 3.501 . 0 0 "[ . 1]" 1 624 1 65 SER QB 1 79 THR HA 1.800 . 3.800 2.873 2.210 3.582 . 0 0 "[ . 1]" 1 625 1 65 SER H 1 66 GLN QG 1.800 . 5.500 4.595 3.872 5.507 0.007 9 0 "[ . 1]" 1 626 1 66 GLN H 1 67 SER H 1.800 . 3.300 2.459 2.030 2.679 . 0 0 "[ . 1]" 1 627 1 66 GLN HB3 1 67 SER H 1.800 . 4.800 4.346 4.178 4.509 . 0 0 "[ . 1]" 1 628 1 66 GLN HB2 1 67 SER H 1.800 . 5.500 3.798 3.564 3.903 . 0 0 "[ . 1]" 1 629 1 66 GLN QG 1 67 SER H 1.800 . 5.500 4.602 4.332 5.007 . 0 0 "[ . 1]" 1 630 1 67 SER HA 1 68 ARG H 1.800 . 2.700 2.257 2.199 2.379 . 0 0 "[ . 1]" 1 631 1 67 SER HA 1 68 ARG HA 1.800 . 4.800 4.322 4.308 4.341 . 0 0 "[ . 1]" 1 632 1 67 SER QB 1 68 ARG H 1.800 . 4.300 2.906 2.547 3.569 . 0 0 "[ . 1]" 1 633 1 67 SER QB 1 69 ARG HA 1.800 . 5.500 4.747 4.477 5.052 . 0 0 "[ . 1]" 1 634 1 67 SER QB 1 69 ARG H 1.800 . 4.300 2.643 2.414 3.415 . 0 0 "[ . 1]" 1 635 1 68 ARG QG 1 69 ARG H 1.800 . 3.800 2.980 2.216 3.814 0.014 7 0 "[ . 1]" 1 636 1 68 ARG HA 1 69 ARG H 1.800 . 4.800 3.467 3.396 3.523 . 0 0 "[ . 1]" 1 637 1 68 ARG QB 1 69 ARG H 1.800 . 5.500 3.190 2.469 3.740 . 0 0 "[ . 1]" 1 638 1 69 ARG HA 1 70 PRO HD3 1.800 . 2.700 2.715 2.705 2.731 0.031 4 0 "[ . 1]" 1 639 1 69 ARG HA 1 70 PRO HD2 1.800 . 3.300 2.069 1.950 2.152 . 0 0 "[ . 1]" 1 640 1 70 PRO HA 1 71 SER H 1.800 . 2.700 2.420 2.261 2.605 . 0 0 "[ . 1]" 1 641 1 70 PRO HB3 1 78 ILE H 1.800 . 3.800 3.816 3.752 3.860 0.060 4 0 "[ . 1]" 1 642 1 70 PRO HA 1 78 ILE HG13 1.800 . 3.800 3.564 2.664 3.806 0.006 2 0 "[ . 1]" 1 643 1 67 SER H 1 70 PRO HD3 1.800 . 4.800 4.367 4.195 4.485 . 0 0 "[ . 1]" 1 644 1 67 SER H 1 70 PRO HB3 1.800 . 4.300 3.821 3.776 3.860 . 0 0 "[ . 1]" 1 645 1 67 SER H 1 70 PRO HB2 1.800 . 5.500 5.540 5.522 5.564 0.064 4 0 "[ . 1]" 1 646 1 67 SER H 1 70 PRO QG 1.800 . 5.500 4.530 4.376 4.843 . 0 0 "[ . 1]" 1 647 1 70 PRO HD3 1 71 SER H 1.800 . 5.500 5.129 4.883 5.350 . 0 0 "[ . 1]" 1 648 1 70 PRO HD2 1 71 SER H 1.800 . 5.500 4.832 4.436 5.131 . 0 0 "[ . 1]" 1 649 1 71 SER HA 1 72 SER H 1.800 . 2.700 2.249 2.178 2.389 . 0 0 "[ . 1]" 1 650 1 71 SER HA 1 78 ILE HG13 1.800 . 2.700 2.656 2.260 2.736 0.036 7 0 "[ . 1]" 1 651 1 71 SER H 1 71 SER HB3 1.800 . 3.800 3.368 2.898 3.817 0.017 9 0 "[ . 1]" 1 652 1 71 SER H 1 71 SER HB2 1.800 . 3.800 3.645 3.391 3.810 0.010 9 0 "[ . 1]" 1 653 1 71 SER HB2 1 72 SER H 1.800 . 4.300 3.563 2.597 4.165 . 0 0 "[ . 1]" 1 654 1 71 SER HB3 1 72 SER H 1.800 . 4.300 3.823 3.394 4.279 . 0 0 "[ . 1]" 1 655 1 71 SER H 1 72 SER H 3.000 3.000 4.500 4.231 4.133 4.333 . 0 0 "[ . 1]" 1 656 1 72 SER HA 1 73 TRP H 1.800 . 3.300 2.570 2.463 2.604 . 0 0 "[ . 1]" 1 657 1 72 SER HA 1 73 TRP HD1 1.800 . 4.800 4.167 3.744 4.546 . 0 0 "[ . 1]" 1 658 1 72 SER HA 1 74 ARG H 1.800 . 4.800 4.152 4.027 4.290 . 0 0 "[ . 1]" 1 659 1 72 SER HA 1 75 GLN H 1.800 . 5.500 4.554 4.393 4.671 . 0 0 "[ . 1]" 1 660 1 72 SER HB2 1 112 ASP HB3 1.800 . 3.300 3.182 2.586 3.315 0.015 6 0 "[ . 1]" 1 661 1 72 SER HB3 1 73 TRP H 1.800 . 2.700 2.195 2.043 2.529 . 0 0 "[ . 1]" 1 662 1 72 SER HB3 1 74 ARG H 1.800 . 3.300 2.750 2.228 3.254 . 0 0 "[ . 1]" 1 663 1 72 SER QB 1 73 TRP HE1 1.800 . 5.500 4.003 3.859 4.198 . 0 0 "[ . 1]" 1 664 1 72 SER QB 1 75 GLN H 1.800 . 4.800 3.035 2.461 3.349 . 0 0 "[ . 1]" 1 665 1 73 TRP H 1 74 ARG H 1.800 . 2.700 2.705 2.662 2.738 0.038 6 0 "[ . 1]" 1 666 1 73 TRP HZ2 1 74 ARG QG 1.800 . 4.800 3.538 3.276 4.069 . 0 0 "[ . 1]" 1 667 1 73 TRP HD1 1 114 SER HB3 1.800 . 4.800 4.732 4.407 4.815 0.015 2 0 "[ . 1]" 1 668 1 73 TRP HD1 1 114 SER HB2 1.800 . 5.500 5.431 5.182 5.504 0.004 9 0 "[ . 1]" 1 669 1 73 TRP HD1 1 116 ALA MB 1.800 . 5.500 4.615 4.272 4.939 . 0 0 "[ . 1]" 1 670 1 73 TRP HH2 1 116 ALA MB 1.800 . 5.500 2.662 2.460 3.389 . 0 0 "[ . 1]" 1 671 1 73 TRP HE1 1 74 ARG H 1.800 . 5.500 4.679 4.481 5.276 . 0 0 "[ . 1]" 1 672 1 73 TRP HE1 1 74 ARG QG 1.800 . 4.800 4.038 2.963 4.651 . 0 0 "[ . 1]" 1 673 1 73 TRP HE1 1 114 SER HA 1.800 . 5.500 3.413 2.992 3.640 . 0 0 "[ . 1]" 1 674 1 73 TRP HE1 1 116 ALA MB 1.800 . 4.300 2.872 2.659 3.039 . 0 0 "[ . 1]" 1 675 1 73 TRP HE1 1 116 ALA HA 1.800 . 5.500 5.390 5.097 5.534 0.034 7 0 "[ . 1]" 1 676 1 74 ARG H 1 75 GLN H 1.800 . 2.700 2.406 2.131 2.586 . 0 0 "[ . 1]" 1 677 1 74 ARG H 1 112 ASP HA 1.800 . 4.800 4.116 3.764 4.807 0.007 9 0 "[ . 1]" 1 678 1 74 ARG HA 1 75 GLN H 1.800 . 4.300 3.520 3.452 3.552 . 0 0 "[ . 1]" 1 679 1 74 ARG QB 1 75 GLN H 1.800 . 3.800 2.758 2.571 3.041 . 0 0 "[ . 1]" 1 680 1 75 GLN QB 1 77 LYS H 1.800 . 4.800 3.055 2.426 3.837 . 0 0 "[ . 1]" 1 681 1 75 GLN HB3 1 76 GLU H 1.800 . 3.300 2.732 2.104 3.316 0.016 3 0 "[ . 1]" 1 682 1 75 GLN HB2 1 76 GLU H 1.800 . 3.800 3.765 3.438 3.852 0.052 3 0 "[ . 1]" 1 683 1 77 LYS HA 1 78 ILE H 1.800 . 2.700 2.251 2.149 2.561 . 0 0 "[ . 1]" 1 684 1 77 LYS QB 1 78 ILE H 1.800 . 4.800 3.834 3.531 4.025 . 0 0 "[ . 1]" 1 685 1 78 ILE HA 1 79 THR H 1.800 . 2.700 2.211 2.142 2.303 . 0 0 "[ . 1]" 1 686 1 78 ILE MG 1 80 ARG H 1.800 . 3.800 2.391 1.968 3.815 0.015 8 0 "[ . 1]" 1 687 1 78 ILE MG 1 79 THR H 1.800 . 4.800 2.276 1.931 2.896 . 0 0 "[ . 1]" 1 688 1 78 ILE MG 1 80 ARG QG 1.800 . 4.300 2.096 1.792 3.475 0.008 2 0 "[ . 1]" 1 689 1 79 THR H 1 80 ARG H 1.800 . 2.700 2.554 2.115 2.712 0.012 8 0 "[ . 1]" 1 690 1 80 ARG HA 1 81 THR H 1.800 . 2.700 2.159 2.129 2.221 . 0 0 "[ . 1]" 1 691 1 80 ARG QD 1 85 ALA MB 1.800 . 4.800 4.283 3.193 4.801 0.001 9 0 "[ . 1]" 1 692 1 81 THR H 1 84 GLU QB 1.800 . 4.800 2.483 2.077 2.665 . 0 0 "[ . 1]" 1 693 1 81 THR H 1 84 GLU QG 1.800 . 4.800 3.119 2.262 4.405 . 0 0 "[ . 1]" 1 694 1 81 THR HA 1 84 GLU H 1.800 . 5.500 4.678 4.462 4.848 . 0 0 "[ . 1]" 1 695 1 81 THR HA 1 82 LYS H 1.800 . 2.700 2.497 2.368 2.595 . 0 0 "[ . 1]" 1 696 1 81 THR HB 1 83 GLU H 1.800 . 3.300 2.726 2.548 3.087 . 0 0 "[ . 1]" 1 697 1 81 THR MG 1 82 LYS H 1.800 . 5.500 3.028 2.425 3.510 . 0 0 "[ . 1]" 1 698 1 81 THR MG 1 83 GLU H 1.800 . 5.500 4.212 4.084 4.342 . 0 0 "[ . 1]" 1 699 1 82 LYS H 1 83 GLU H 1.800 . 3.300 2.833 2.686 3.032 . 0 0 "[ . 1]" 1 700 1 82 LYS HA 1 85 ALA MB 1.800 . 4.800 3.038 2.687 3.592 . 0 0 "[ . 1]" 1 701 1 83 GLU HA 1 86 LEU H 1.800 . 4.300 3.907 3.722 4.031 . 0 0 "[ . 1]" 1 702 1 83 GLU HA 1 86 LEU QB 1.800 . 4.300 3.143 2.522 3.532 . 0 0 "[ . 1]" 1 703 1 83 GLU HA 1 87 GLU H 1.800 . 4.800 3.810 3.595 4.109 . 0 0 "[ . 1]" 1 704 1 83 GLU HB2 1 84 GLU H 1.800 . 3.300 2.866 2.338 3.304 0.004 6 0 "[ . 1]" 1 705 1 83 GLU HB3 1 84 GLU H 1.800 . 3.800 3.220 2.457 3.809 0.009 8 0 "[ . 1]" 1 706 1 83 GLU H 1 83 GLU HB2 1.800 . 3.300 2.276 2.068 2.598 . 0 0 "[ . 1]" 1 707 1 83 GLU H 1 83 GLU HB3 1.800 . 3.800 3.416 3.045 3.591 . 0 0 "[ . 1]" 1 708 1 83 GLU H 1 84 GLU H 1.800 . 3.300 2.673 2.560 2.781 . 0 0 "[ . 1]" 1 709 1 83 GLU H 1 84 GLU HB2 1.800 . 5.500 4.569 4.414 5.038 . 0 0 "[ . 1]" 1 710 1 83 GLU H 1 85 ALA H 1.800 . 4.800 4.257 3.885 4.790 . 0 0 "[ . 1]" 1 711 1 84 GLU HA 1 87 GLU HB3 1.800 . 3.300 2.603 2.363 2.936 . 0 0 "[ . 1]" 1 712 1 84 GLU HA 1 87 GLU H 1.800 . 4.300 3.752 3.514 3.922 . 0 0 "[ . 1]" 1 713 1 84 GLU HA 1 88 LEU H 1.800 . 4.800 4.404 4.154 4.644 . 0 0 "[ . 1]" 1 714 1 84 GLU HA 1 85 ALA H 1.800 . 4.800 3.540 3.498 3.571 . 0 0 "[ . 1]" 1 715 1 84 GLU HB2 1 85 ALA H 1.800 . 3.300 2.771 2.336 3.052 . 0 0 "[ . 1]" 1 716 1 84 GLU HB3 1 85 ALA H 1.800 . 3.800 3.228 2.663 3.507 . 0 0 "[ . 1]" 1 717 1 84 GLU QG 1 85 ALA H 1.800 . 4.800 4.340 3.830 4.653 . 0 0 "[ . 1]" 1 718 1 84 GLU H 1 84 GLU HB2 1.800 . 3.300 2.223 2.129 2.597 . 0 0 "[ . 1]" 1 719 1 84 GLU H 1 84 GLU HB3 1.800 . 3.800 3.492 3.439 3.585 . 0 0 "[ . 1]" 1 720 1 84 GLU H 1 84 GLU QG 1.800 . 5.500 3.017 2.041 3.635 . 0 0 "[ . 1]" 1 721 1 84 GLU H 1 85 ALA H 1.800 . 3.300 2.769 2.591 3.034 . 0 0 "[ . 1]" 1 722 1 84 GLU H 1 85 ALA MB 1.800 . 5.500 4.408 4.285 4.608 . 0 0 "[ . 1]" 1 723 1 62 VAL MG1 1 85 ALA HA 1.800 . 4.300 2.318 1.939 2.880 . 0 0 "[ . 1]" 1 724 1 85 ALA HA 1 88 LEU QB 1.800 . 4.300 3.323 2.856 4.306 0.006 8 0 "[ . 1]" 1 725 1 85 ALA HA 1 88 LEU MD1 1.800 . 3.800 3.339 2.174 3.844 0.044 5 0 "[ . 1]" 1 726 1 85 ALA HA 1 88 LEU H 1.800 . 4.300 3.737 3.593 3.901 . 0 0 "[ . 1]" 1 727 1 85 ALA HA 1 89 ILE H 1.800 . 4.800 4.480 4.318 4.627 . 0 0 "[ . 1]" 1 728 1 85 ALA MB 1 86 LEU H 1.800 . 3.800 2.164 1.940 2.418 . 0 0 "[ . 1]" 1 729 1 85 ALA H 1 86 LEU H 1.800 . 3.300 2.891 2.715 3.077 . 0 0 "[ . 1]" 1 730 1 85 ALA H 1 87 GLU H 1.800 . 4.800 3.899 3.740 4.100 . 0 0 "[ . 1]" 1 731 1 86 LEU HA 1 89 ILE H 1.800 . 4.300 3.466 3.259 3.631 . 0 0 "[ . 1]" 1 732 1 86 LEU HA 1 90 ASN H 1.800 . 4.800 3.571 3.163 4.015 . 0 0 "[ . 1]" 1 733 1 86 LEU HA 1 89 ILE HB 1.800 . 2.700 2.720 2.706 2.738 0.038 4 0 "[ . 1]" 1 734 1 86 LEU QB 1 87 GLU H 1.800 . 4.800 2.761 2.572 2.917 . 0 0 "[ . 1]" 1 735 1 86 LEU MD1 1 90 ASN H 1.800 . 5.500 3.718 2.608 5.129 . 0 0 "[ . 1]" 1 736 1 86 LEU MD1 1 151 PHE HZ 1.800 . 4.300 3.223 2.136 4.315 0.015 2 0 "[ . 1]" 1 737 1 86 LEU MD2 1 151 PHE HZ 1.800 . 4.300 3.506 1.867 4.308 0.008 10 0 "[ . 1]" 1 738 1 86 LEU H 1 86 LEU HB3 1.800 . 3.300 2.766 2.416 3.329 0.029 4 0 "[ . 1]" 1 739 1 86 LEU H 1 86 LEU HB2 1.800 . 3.300 2.336 2.055 2.590 . 0 0 "[ . 1]" 1 740 1 86 LEU H 1 87 GLU H 1.800 . 3.300 2.705 2.551 2.760 . 0 0 "[ . 1]" 1 741 1 87 GLU HA 1 90 ASN HB3 1.800 . 3.300 3.057 2.613 3.306 0.006 10 0 "[ . 1]" 1 742 1 87 GLU HA 1 90 ASN HB2 1.800 . 4.300 4.099 3.684 4.306 0.006 8 0 "[ . 1]" 1 743 1 87 GLU HA 1 90 ASN H 1.800 . 4.300 3.972 3.715 4.141 . 0 0 "[ . 1]" 1 744 1 87 GLU QG 1 88 LEU H 1.800 . 3.800 3.397 2.125 3.776 . 0 0 "[ . 1]" 1 745 1 87 GLU QG 1 88 LEU HA 1.800 . 4.800 3.522 2.956 3.743 . 0 0 "[ . 1]" 1 746 1 87 GLU H 1 87 GLU HB2 1.800 . 3.800 2.657 2.517 3.406 . 0 0 "[ . 1]" 1 747 1 87 GLU H 1 88 LEU H 1.800 . 3.300 2.738 2.689 2.791 . 0 0 "[ . 1]" 1 748 1 87 GLU H 1 87 GLU HB3 1.800 . 2.700 2.440 2.108 2.537 . 0 0 "[ . 1]" 1 749 1 87 GLU H 1 89 ILE H 1.800 . 4.800 4.439 4.286 4.557 . 0 0 "[ . 1]" 1 750 1 88 LEU HA 1 91 GLY H 1.800 . 4.300 3.778 3.640 3.887 . 0 0 "[ . 1]" 1 751 1 88 LEU QB 1 89 ILE H 1.800 . 4.300 2.380 2.207 2.535 . 0 0 "[ . 1]" 1 752 1 88 LEU H 1 89 ILE H 1.800 . 3.300 2.705 2.564 2.803 . 0 0 "[ . 1]" 1 753 1 88 LEU H 1 90 ASN H 1.800 . 4.800 4.211 4.029 4.376 . 0 0 "[ . 1]" 1 754 1 89 ILE HA 1 90 ASN H 1.800 . 5.000 3.570 3.557 3.584 . 0 0 "[ . 1]" 1 755 1 89 ILE HA 1 92 TYR HB3 1.800 . 4.300 4.311 4.244 4.334 0.034 9 0 "[ . 1]" 1 756 1 89 ILE HA 1 92 TYR HB2 1.800 . 3.300 2.850 2.751 2.908 . 0 0 "[ . 1]" 1 757 1 89 ILE HA 1 92 TYR H 1.800 . 4.300 3.622 3.509 3.694 . 0 0 "[ . 1]" 1 758 1 89 ILE HA 1 92 TYR HD2 1.800 . 2.700 2.008 1.936 2.148 . 0 0 "[ . 1]" 1 759 1 89 ILE HA 1 92 TYR HE2 1.800 . 4.800 3.512 3.261 3.790 . 0 0 "[ . 1]" 1 760 1 89 ILE HA 1 158 ILE MD 1.800 . 4.800 2.434 1.892 3.595 . 0 0 "[ . 1]" 1 761 1 89 ILE HB 1 90 ASN H 1.800 . 3.300 3.019 2.830 3.241 . 0 0 "[ . 1]" 1 762 1 89 ILE MG 1 149 PRO HA 1.800 . 4.300 2.703 2.268 3.431 . 0 0 "[ . 1]" 1 763 1 89 ILE MG 1 149 PRO HB3 1.800 . 4.300 2.526 1.935 3.208 . 0 0 "[ . 1]" 1 764 1 89 ILE MG 1 149 PRO QG 1.800 . 5.500 3.908 3.213 4.556 . 0 0 "[ . 1]" 1 765 1 89 ILE MD 1 92 TYR HD2 1.800 . 3.300 2.813 2.120 3.165 . 0 0 "[ . 1]" 1 766 1 89 ILE H 1 89 ILE HB 1.800 . 2.700 2.085 2.070 2.105 . 0 0 "[ . 1]" 1 767 1 89 ILE H 1 90 ASN H 1.800 . 3.300 2.896 2.816 3.003 . 0 0 "[ . 1]" 1 768 1 89 ILE H 1 91 GLY H 1.800 . 4.800 4.435 4.307 4.565 . 0 0 "[ . 1]" 1 769 1 90 ASN HA 1 91 GLY H 1.800 . 5.000 3.574 3.568 3.580 . 0 0 "[ . 1]" 1 770 1 90 ASN HA 1 93 ILE HB 1.800 . 2.700 2.740 2.724 2.751 0.051 7 0 "[ . 1]" 1 771 1 90 ASN HA 1 93 ILE H 1.800 . 4.300 3.329 3.251 3.400 . 0 0 "[ . 1]" 1 772 1 90 ASN HA 1 94 GLN H 1.800 . 4.800 4.407 4.179 4.615 . 0 0 "[ . 1]" 1 773 1 90 ASN HB3 1 91 GLY H 1.800 . 3.300 2.333 2.253 2.417 . 0 0 "[ . 1]" 1 774 1 90 ASN HB2 1 91 GLY H 1.800 . 4.800 3.721 3.576 3.792 . 0 0 "[ . 1]" 1 775 1 90 ASN H 1 91 GLY H 1.800 . 3.300 2.845 2.728 2.970 . 0 0 "[ . 1]" 1 776 1 90 ASN H 1 91 GLY HA2 1.800 . 5.500 5.407 5.315 5.501 0.001 3 0 "[ . 1]" 1 777 1 90 ASN H 1 92 TYR H 1.800 . 4.800 4.045 3.995 4.207 . 0 0 "[ . 1]" 1 778 1 91 GLY HA2 1 94 GLN HB2 1.800 . 4.300 3.513 2.960 3.867 . 0 0 "[ . 1]" 1 779 1 91 GLY HA2 1 94 GLN HB3 1.800 . 3.300 3.107 2.807 3.309 0.009 7 0 "[ . 1]" 1 780 1 91 GLY HA3 1 94 GLN H 1.800 . 4.800 4.710 4.588 4.813 0.013 3 0 "[ . 1]" 1 781 1 91 GLY HA2 1 92 TYR H 1.800 . 4.300 3.510 3.486 3.538 . 0 0 "[ . 1]" 1 782 1 91 GLY QA 1 92 TYR QD 1.800 . 5.500 4.156 3.864 4.554 . 0 0 "[ . 1]" 1 783 1 91 GLY H 1 92 TYR H 1.800 . 3.300 2.772 2.703 2.835 . 0 0 "[ . 1]" 1 784 1 91 GLY H 1 92 TYR HB2 1.800 . 5.500 5.002 4.881 5.174 . 0 0 "[ . 1]" 1 785 1 92 TYR HA 1 95 LYS QB 1.800 . 4.300 3.210 2.673 3.493 . 0 0 "[ . 1]" 1 786 1 92 TYR HA 1 93 ILE H 1.800 . 4.800 3.522 3.503 3.541 . 0 0 "[ . 1]" 1 787 1 92 TYR HA 1 95 LYS H 1.800 . 4.300 3.880 3.702 4.046 . 0 0 "[ . 1]" 1 788 1 92 TYR HA 1 96 ILE H 1.800 . 4.800 3.976 3.584 4.269 . 0 0 "[ . 1]" 1 789 1 92 TYR HB3 1 93 ILE H 1.800 . 3.800 3.690 3.512 3.792 . 0 0 "[ . 1]" 1 790 1 92 TYR HB2 1 93 ILE H 1.800 . 3.300 2.627 2.490 2.777 . 0 0 "[ . 1]" 1 791 1 92 TYR QD 1 110 PHE QD 1.800 . 5.500 3.857 3.584 4.346 . 0 0 "[ . 1]" 1 792 1 92 TYR HD2 1 93 ILE H 1.800 . 5.500 4.878 4.702 5.029 . 0 0 "[ . 1]" 1 793 1 92 TYR HD1 1 106 LEU MD1 1.800 . 4.800 3.121 1.981 4.486 . 0 0 "[ . 1]" 1 794 1 92 TYR HD1 1 106 LEU MD2 1.800 . 5.500 2.964 1.912 4.445 . 0 0 "[ . 1]" 1 795 1 92 TYR HE1 1 106 LEU MD2 1.800 . 5.500 3.753 3.124 4.788 . 0 0 "[ . 1]" 1 796 1 92 TYR HE1 1 110 PHE HB2 1.800 . 5.500 4.512 4.245 4.946 . 0 0 "[ . 1]" 1 797 1 92 TYR HE1 1 110 PHE HD2 1.800 . 3.800 3.603 3.198 3.831 0.031 1 0 "[ . 1]" 1 798 1 92 TYR HE2 1 110 PHE HB3 1.800 . 4.800 2.849 2.535 3.339 . 0 0 "[ . 1]" 1 799 1 92 TYR HE2 1 110 PHE HB2 1.800 . 3.800 3.405 2.989 3.803 0.003 1 0 "[ . 1]" 1 800 1 92 TYR HE2 1 110 PHE HD1 1.800 . 5.500 5.025 4.782 5.412 . 0 0 "[ . 1]" 1 801 1 92 TYR H 1 92 TYR HB3 1.800 . 3.800 3.586 3.572 3.595 . 0 0 "[ . 1]" 1 802 1 92 TYR H 1 92 TYR HB2 1.800 . 2.800 2.498 2.378 2.652 . 0 0 "[ . 1]" 1 803 1 92 TYR H 1 93 ILE HA 1.800 . 5.500 5.206 5.137 5.281 . 0 0 "[ . 1]" 1 804 1 92 TYR H 1 93 ILE H 1.800 . 3.300 2.584 2.495 2.682 . 0 0 "[ . 1]" 1 805 1 92 TYR H 1 94 GLN H 1.800 . 4.800 4.140 4.013 4.354 . 0 0 "[ . 1]" 1 806 1 93 ILE HA 1 96 ILE HB 1.800 . 4.300 3.053 2.587 3.379 . 0 0 "[ . 1]" 1 807 1 93 ILE HA 1 146 MET ME 1.800 . 4.800 2.560 1.912 3.464 . 0 0 "[ . 1]" 1 808 1 93 ILE HA 1 96 ILE MD 1.800 . 4.800 2.521 2.037 3.129 . 0 0 "[ . 1]" 1 809 1 93 ILE HA 1 96 ILE H 1.800 . 4.300 3.983 3.749 4.277 . 0 0 "[ . 1]" 1 810 1 93 ILE HA 1 97 LYS H 1.800 . 4.800 3.930 3.516 4.350 . 0 0 "[ . 1]" 1 811 1 93 ILE HB 1 94 GLN H 1.800 . 3.300 2.724 2.403 2.816 . 0 0 "[ . 1]" 1 812 1 93 ILE MD 1 148 GLY HA2 1.800 . 4.300 2.788 2.164 3.687 . 0 0 "[ . 1]" 1 813 1 93 ILE MD 1 148 GLY HA3 1.800 . 5.500 4.205 3.619 5.133 . 0 0 "[ . 1]" 1 814 1 93 ILE MG 1 146 MET ME 1.800 . 5.500 2.597 1.794 3.454 0.006 10 0 "[ . 1]" 1 815 1 93 ILE HG13 1 146 MET ME 1.800 . 4.800 4.098 3.465 4.810 0.010 4 0 "[ . 1]" 1 816 1 93 ILE HG12 1 158 ILE MD 1.800 . 4.800 2.810 2.315 3.088 . 0 0 "[ . 1]" 1 817 1 93 ILE H 1 94 GLN H 1.800 . 3.300 2.683 2.582 2.795 . 0 0 "[ . 1]" 1 818 1 93 ILE H 1 95 LYS H 1.800 . 4.800 4.642 4.483 4.785 . 0 0 "[ . 1]" 1 819 1 94 GLN HA 1 97 LYS QB 1.800 . 4.300 3.366 2.978 4.136 . 0 0 "[ . 1]" 1 820 1 94 GLN HA 1 97 LYS H 1.800 . 4.300 3.885 3.738 4.017 . 0 0 "[ . 1]" 1 821 1 94 GLN HA 1 98 SER H 1.800 . 4.800 4.250 4.100 4.520 . 0 0 "[ . 1]" 1 822 1 94 GLN QB 1 95 LYS H 1.800 . 4.800 2.155 2.019 2.358 . 0 0 "[ . 1]" 1 823 1 94 GLN QG 1 95 LYS H 1.800 . 5.500 3.378 3.023 4.039 . 0 0 "[ . 1]" 1 824 1 94 GLN H 1 95 LYS H 1.800 . 3.300 2.893 2.820 3.018 . 0 0 "[ . 1]" 1 825 1 94 GLN H 1 96 ILE H 1.800 . 4.800 4.268 4.125 4.378 . 0 0 "[ . 1]" 1 826 1 95 LYS HA 1 100 GLU H 1.800 . 4.800 3.640 3.436 3.805 . 0 0 "[ . 1]" 1 827 1 95 LYS HA 1 96 ILE H 1.800 . 5.000 3.562 3.539 3.574 . 0 0 "[ . 1]" 1 828 1 95 LYS HA 1 98 SER H 1.800 . 3.800 3.493 3.412 3.595 . 0 0 "[ . 1]" 1 829 1 95 LYS HA 1 98 SER QB 1.800 . 4.800 2.949 2.775 3.136 . 0 0 "[ . 1]" 1 830 1 95 LYS HA 1 99 GLY H 1.800 . 4.800 4.468 4.340 4.576 . 0 0 "[ . 1]" 1 831 1 95 LYS QB 1 96 ILE H 1.800 . 4.800 2.470 2.336 2.652 . 0 0 "[ . 1]" 1 832 1 95 LYS QB 1 106 LEU MD1 1.800 . 5.500 2.709 1.887 5.509 0.009 1 0 "[ . 1]" 1 833 1 95 LYS H 1 96 ILE H 1.800 . 3.300 2.938 2.825 3.072 . 0 0 "[ . 1]" 1 834 1 95 LYS H 1 97 LYS H 1.800 . 4.800 4.626 4.469 4.774 . 0 0 "[ . 1]" 1 835 1 95 LYS H 1 98 SER H 1.800 . 5.500 4.658 4.587 4.793 . 0 0 "[ . 1]" 1 836 1 96 ILE HA 1 97 LYS H 1.800 . 5.000 3.569 3.565 3.575 . 0 0 "[ . 1]" 1 837 1 96 ILE HA 1 99 GLY H 1.800 . 4.300 3.521 3.342 3.642 . 0 0 "[ . 1]" 1 838 1 96 ILE H 1 96 ILE HB 1.800 . 2.700 2.567 2.534 2.598 . 0 0 "[ . 1]" 1 839 1 96 ILE HB 1 97 LYS H 1.800 . 2.700 2.288 2.205 2.368 . 0 0 "[ . 1]" 1 840 1 96 ILE HB 1 97 LYS HA 1.800 . 5.500 4.261 4.199 4.315 . 0 0 "[ . 1]" 1 841 1 96 ILE HB 1 146 MET ME 1.800 . 3.800 2.512 1.991 3.062 . 0 0 "[ . 1]" 1 842 1 96 ILE HA 1 96 ILE HG12 1.800 . 2.700 2.710 2.693 2.733 0.033 6 0 "[ . 1]" 1 843 1 96 ILE H 1 96 ILE HG13 1.800 . 2.700 2.027 1.968 2.083 . 0 0 "[ . 1]" 1 844 1 96 ILE MG 1 146 MET ME 1.800 . 4.800 2.471 1.798 3.263 0.002 6 0 "[ . 1]" 1 845 1 96 ILE MG 1 97 LYS H 1.800 . 4.800 3.157 3.033 3.283 . 0 0 "[ . 1]" 1 846 1 96 ILE MG 1 103 PHE HA 1.800 . 5.500 3.421 2.837 4.092 . 0 0 "[ . 1]" 1 847 1 96 ILE HG13 1 101 GLU H 1.800 . 4.800 4.768 4.616 4.829 0.029 9 0 "[ . 1]" 1 848 1 96 ILE MD 1 103 PHE HD2 1.800 . 4.300 2.076 1.889 2.273 . 0 0 "[ . 1]" 1 849 1 96 ILE MD 1 103 PHE HA 1.800 . 4.300 2.224 1.964 2.504 . 0 0 "[ . 1]" 1 850 1 96 ILE MD 1 146 MET ME 1.800 . 5.500 2.634 1.966 3.578 . 0 0 "[ . 1]" 1 851 1 96 ILE MD 1 97 LYS H 1.800 . 5.500 4.100 4.044 4.156 . 0 0 "[ . 1]" 1 852 1 96 ILE MD 1 103 PHE HE2 1.800 . 4.800 3.386 2.843 3.731 . 0 0 "[ . 1]" 1 853 1 96 ILE MD 1 106 LEU MD1 1.800 . 4.300 2.250 1.791 2.926 0.009 1 0 "[ . 1]" 1 854 1 96 ILE H 1 97 LYS H 1.800 . 3.300 2.895 2.824 2.970 . 0 0 "[ . 1]" 1 855 1 96 ILE H 1 98 SER H 1.800 . 4.800 3.791 3.755 3.869 . 0 0 "[ . 1]" 1 856 1 97 LYS H 1 98 SER H 1.800 . 3.300 2.627 2.574 2.684 . 0 0 "[ . 1]" 1 857 1 97 LYS HA 1 98 SER H 1.800 . 3.800 3.432 3.417 3.463 . 0 0 "[ . 1]" 1 858 1 97 LYS QB 1 98 SER H 1.800 . 4.300 3.224 2.953 3.721 . 0 0 "[ . 1]" 1 859 1 97 LYS H 1 99 GLY H 1.800 . 4.800 4.147 4.089 4.184 . 0 0 "[ . 1]" 1 860 1 97 LYS QG 1 146 MET ME 1.800 . 4.800 3.603 2.296 4.707 . 0 0 "[ . 1]" 1 861 1 97 LYS QE 1 146 MET ME 1.800 . 5.500 3.940 2.052 5.435 . 0 0 "[ . 1]" 1 862 1 98 SER HA 1 100 GLU H 1.800 . 4.800 4.465 4.371 4.525 . 0 0 "[ . 1]" 1 863 1 98 SER HA 1 99 GLY H 1.800 . 3.800 3.432 3.387 3.451 . 0 0 "[ . 1]" 1 864 1 98 SER HB3 1 100 GLU H 1.800 . 4.300 4.136 4.064 4.180 . 0 0 "[ . 1]" 1 865 1 98 SER HB3 1 99 GLY H 1.800 . 5.500 3.975 3.906 4.066 . 0 0 "[ . 1]" 1 866 1 98 SER HB2 1 100 GLU H 1.800 . 4.300 3.951 3.773 4.066 . 0 0 "[ . 1]" 1 867 1 98 SER H 1 99 GLY H 1.800 . 3.300 2.349 2.322 2.386 . 0 0 "[ . 1]" 1 868 1 98 SER H 1 100 GLU H 1.800 . 4.300 3.700 3.649 3.746 . 0 0 "[ . 1]" 1 869 1 98 SER H 1 101 GLU H 1.800 . 5.500 4.673 4.619 4.719 . 0 0 "[ . 1]" 1 870 1 99 GLY HA3 1 100 GLU H 1.800 . 5.500 3.335 3.259 3.382 . 0 0 "[ . 1]" 1 871 1 99 GLY HA2 1 100 GLU H 1.800 . 3.800 3.224 3.168 3.310 . 0 0 "[ . 1]" 1 872 1 99 GLY H 1 100 GLU H 1.800 . 3.300 2.381 2.310 2.485 . 0 0 "[ . 1]" 1 873 1 99 GLY H 1 100 GLU QB 1.800 . 5.500 4.247 4.136 4.400 . 0 0 "[ . 1]" 1 874 1 53 ALA HA 1 139 PHE HZ 1.800 . 5.500 4.983 4.526 5.355 . 0 0 "[ . 1]" 1 875 1 54 ARG HA 1 126 SER HB3 1.800 . 4.800 4.222 3.908 4.509 . 0 0 "[ . 1]" 1 876 1 56 ARG HA 1 125 PHE H 1.800 . 3.800 3.372 3.146 3.613 . 0 0 "[ . 1]" 1 877 1 56 ARG HB2 1 124 ALA H 1.800 . 4.800 4.293 3.555 4.682 . 0 0 "[ . 1]" 1 878 1 56 ARG HB2 1 124 ALA HA 1.800 . 3.300 3.135 2.750 3.309 0.009 3 0 "[ . 1]" 1 879 1 56 ARG QG 1 123 GLY H 1.800 . 5.500 3.527 3.027 4.085 . 0 0 "[ . 1]" 1 880 1 56 ARG QG 1 123 GLY HA3 1.800 . 5.500 3.958 3.390 5.115 . 0 0 "[ . 1]" 1 881 1 56 ARG QG 1 123 GLY HA2 1.800 . 4.300 2.576 1.948 3.785 . 0 0 "[ . 1]" 1 882 1 57 CYS QB 1 160 LEU H 1.800 . 3.800 3.113 2.837 3.335 . 0 0 "[ . 1]" 1 883 1 58 SER HB3 1 121 ASP H 1.800 . 4.300 3.088 2.801 3.468 . 0 0 "[ . 1]" 1 884 1 58 SER HB3 1 121 ASP HA 1.800 . 3.800 2.132 1.973 2.809 . 0 0 "[ . 1]" 1 885 1 59 HIS H 1 120 GLY HA3 1.800 . 3.300 3.072 2.744 3.322 0.022 9 0 "[ . 1]" 1 886 1 59 HIS H 1 120 GLY HA2 1.800 . 3.800 3.250 2.877 3.582 . 0 0 "[ . 1]" 1 887 1 59 HIS QB 1 134 PHE QE 1.800 . 3.300 2.111 1.964 2.476 . 0 0 "[ . 1]" 1 888 1 60 LEU H 1 158 ILE HB 1.800 . 3.300 3.131 2.437 3.362 0.062 8 0 "[ . 1]" 1 889 1 60 LEU QB 1 107 ALA HA 1.800 . 4.800 3.016 1.762 3.572 0.038 8 0 "[ . 1]" 1 890 1 60 LEU MD1 1 92 TYR HD2 1.800 . 5.500 2.149 1.797 3.654 0.003 5 0 "[ . 1]" 1 891 1 60 LEU MD2 1 158 ILE HG13 1.800 . 5.500 5.067 3.073 5.611 0.111 6 0 "[ . 1]" 1 892 1 60 LEU MD2 1 89 ILE MD 1.800 . 5.500 2.568 1.847 3.365 . 0 0 "[ . 1]" 1 893 1 61 LEU QB 1 113 CYS HB3 1.800 . 4.300 2.857 1.775 3.058 0.025 5 0 "[ . 1]" 1 894 1 61 LEU QB 1 113 CYS HB2 1.800 . 4.800 2.027 1.816 3.181 . 0 0 "[ . 1]" 1 895 1 61 LEU MD1 1 157 HIS HE1 1.800 . 4.800 3.209 2.661 3.785 . 0 0 "[ . 1]" 1 896 1 61 LEU MD2 1 112 ASP HB2 1.800 . 4.800 3.544 3.166 4.123 . 0 0 "[ . 1]" 1 897 1 61 LEU MD2 1 112 ASP H 1.800 . 5.500 4.434 4.169 4.856 . 0 0 "[ . 1]" 1 898 1 61 LEU MD2 1 113 CYS HA 1.800 . 4.800 2.836 2.158 3.478 . 0 0 "[ . 1]" 1 899 1 62 VAL HA 1 112 ASP HB2 1.800 . 3.300 2.860 2.564 3.263 . 0 0 "[ . 1]" 1 900 1 62 VAL HB 1 156 ILE HB 1.800 . 3.300 2.817 2.674 2.976 . 0 0 "[ . 1]" 1 901 1 63 LYS QB 1 78 ILE MG 1.800 . 4.800 2.327 1.807 3.148 . 0 0 "[ . 1]" 1 902 1 63 LYS QB 1 78 ILE MD 1.800 . 5.500 2.078 1.818 4.052 . 0 0 "[ . 1]" 1 903 1 63 LYS QB 1 71 SER H 1.800 . 5.500 4.052 3.507 4.419 . 0 0 "[ . 1]" 1 904 1 64 HIS HA 1 80 ARG QB 1.800 . 3.300 2.384 1.951 3.564 0.264 4 0 "[ . 1]" 1 905 1 68 ARG QB 1 154 SER HA 1.800 . 5.500 4.493 3.853 5.377 . 0 0 "[ . 1]" 1 906 1 68 ARG QG 1 154 SER HA 1.800 . 4.300 3.726 2.808 4.346 0.046 9 0 "[ . 1]" 1 907 1 68 ARG QB 1 153 ASP QB 1.800 . 4.800 3.582 3.167 3.982 . 0 0 "[ . 1]" 1 908 1 68 ARG QG 1 153 ASP QB 1.800 . 4.800 2.656 2.197 3.100 . 0 0 "[ . 1]" 1 909 1 70 PRO HA 1 78 ILE HB 1.800 . 3.300 2.761 2.314 3.280 . 0 0 "[ . 1]" 1 910 1 70 PRO HB2 1 78 ILE H 1.800 . 3.300 2.163 2.077 2.289 . 0 0 "[ . 1]" 1 911 1 71 SER H 1 78 ILE MD 1.800 . 5.500 3.107 2.309 4.386 . 0 0 "[ . 1]" 1 912 1 73 TRP HZ2 1 116 ALA MB 1.800 . 3.300 1.943 1.790 2.136 0.010 7 0 "[ . 1]" 1 913 1 73 TRP HZ2 1 116 ALA HA 1.800 . 5.500 3.842 3.592 4.399 . 0 0 "[ . 1]" 1 914 1 73 TRP HE1 1 113 CYS H 1.800 . 4.300 3.066 2.397 3.812 . 0 0 "[ . 1]" 1 915 1 73 TRP HE1 1 113 CYS HA 1.800 . 4.800 3.464 3.240 3.653 . 0 0 "[ . 1]" 1 916 1 73 TRP HD1 1 113 CYS HA 1.800 . 4.800 3.631 3.122 4.084 . 0 0 "[ . 1]" 1 917 1 73 TRP HD1 1 112 ASP HA 1.800 . 4.800 4.780 4.598 4.824 0.024 6 0 "[ . 1]" 1 918 1 73 TRP HE1 1 112 ASP HA 1.800 . 3.800 3.651 3.465 3.814 0.014 9 0 "[ . 1]" 1 919 1 73 TRP HZ2 1 115 SER H 1.800 . 5.500 5.535 5.505 5.547 0.047 6 0 "[ . 1]" 1 920 1 85 ALA MB 1 156 ILE HG13 1.800 . 4.800 2.830 2.398 3.221 . 0 0 "[ . 1]" 1 921 1 85 ALA MB 1 156 ILE MD 1.800 . 5.500 1.853 1.785 2.006 0.015 2 0 "[ . 1]" 1 922 1 89 ILE HG13 1 156 ILE MG 1.800 . 4.300 3.657 3.473 4.283 . 0 0 "[ . 1]" 1 923 1 89 ILE HG13 1 158 ILE HB 1.800 . 2.700 2.813 2.749 2.875 0.175 6 0 "[ . 1]" 1 924 1 89 ILE HB 1 156 ILE HB 1.800 . 4.300 3.978 3.741 4.255 . 0 0 "[ . 1]" 1 925 1 89 ILE MD 1 156 ILE HB 1.800 . 4.800 2.700 2.154 4.073 . 0 0 "[ . 1]" 1 926 1 92 TYR HA 1 106 LEU MD1 1.800 . 4.800 2.682 1.957 4.516 . 0 0 "[ . 1]" 1 927 1 92 TYR HB3 1 106 LEU MD1 1.800 . 4.300 2.689 2.053 3.387 . 0 0 "[ . 1]" 1 928 1 93 ILE HG13 1 158 ILE MD 1.800 . 4.300 2.004 1.801 2.520 . 0 0 "[ . 1]" 1 929 1 93 ILE HG12 1 146 MET ME 1.800 . 5.500 3.003 2.090 3.759 . 0 0 "[ . 1]" 1 930 1 93 ILE MD 1 149 PRO QG 1.800 . 5.500 4.982 4.512 5.493 . 0 0 "[ . 1]" 1 931 1 95 LYS HA 1 101 GLU H 1.800 . 4.800 3.710 3.523 3.970 . 0 0 "[ . 1]" 1 932 1 95 LYS QG 1 101 GLU QB 1.800 . 4.300 2.986 1.981 4.201 . 0 0 "[ . 1]" 1 933 1 96 ILE HG12 1 103 PHE H 1.800 . 3.800 2.897 2.283 3.443 . 0 0 "[ . 1]" 1 934 1 96 ILE HG12 1 103 PHE HA 1.800 . 3.300 2.595 2.264 2.970 . 0 0 "[ . 1]" 1 935 1 96 ILE MG 1 103 PHE H 1.800 . 5.500 2.484 2.083 2.849 . 0 0 "[ . 1]" 1 936 1 96 ILE MG 1 103 PHE HB2 1.800 . 5.500 2.222 1.853 2.775 . 0 0 "[ . 1]" 1 937 1 96 ILE MG 1 103 PHE HD2 1.800 . 5.500 2.669 1.920 3.731 . 0 0 "[ . 1]" 1 938 1 103 PHE HD2 1 146 MET ME 1.800 . 5.500 2.959 1.921 3.790 . 0 0 "[ . 1]" 1 939 1 103 PHE HD2 1 160 LEU MD1 1.800 . 5.500 3.122 1.981 4.782 . 0 0 "[ . 1]" 1 940 1 103 PHE HE2 1 146 MET HG3 1.800 . 3.300 2.794 2.289 3.306 0.006 3 0 "[ . 1]" 1 941 1 103 PHE HE2 1 158 ILE MG 1.800 . 3.800 1.842 1.793 1.913 0.007 1 0 "[ . 1]" 1 942 1 103 PHE HZ 1 159 ILE HA 1.800 . 3.800 3.348 2.872 3.787 . 0 0 "[ . 1]" 1 943 1 108 SER HA 1 116 ALA HA 1.800 . 3.300 2.569 2.339 2.996 . 0 0 "[ . 1]" 1 944 1 108 SER HA 1 119 ARG HA 1.800 . 3.300 2.546 2.251 2.661 . 0 0 "[ . 1]" 1 945 1 115 SER HB3 1 122 LEU MD2 1.800 . 4.300 3.187 2.495 4.037 . 0 0 "[ . 1]" 1 946 1 115 SER HB2 1 122 LEU MD2 1.800 . 4.800 3.440 2.148 4.683 . 0 0 "[ . 1]" 1 947 1 125 PHE HZ 1 138 SER HB3 1.800 . 3.300 3.255 2.982 3.315 0.015 1 0 "[ . 1]" 1 948 1 133 PRO HB2 1 150 VAL MG1 1.800 . 4.300 2.255 1.822 2.902 . 0 0 "[ . 1]" 1 949 1 133 PRO HG3 1 152 THR MG 1.800 . 5.500 3.036 2.415 4.539 . 0 0 "[ . 1]" 1 950 1 134 PHE HA 1 159 ILE MD 1.800 . 4.300 2.293 2.023 2.803 . 0 0 "[ . 1]" 1 951 1 134 PHE QD 1 159 ILE MD 1.800 . 4.800 2.611 2.261 2.960 . 0 0 "[ . 1]" 1 952 1 134 PHE QE 1 159 ILE HG13 1.800 . 2.700 2.722 2.709 2.732 0.032 6 0 "[ . 1]" 1 953 1 137 ALA MB 1 147 SER HB2 1.800 . 4.800 2.592 2.203 3.224 . 0 0 "[ . 1]" 1 954 1 137 ALA MB 1 159 ILE MD 1.800 . 4.800 2.529 2.250 2.844 . 0 0 "[ . 1]" 1 955 1 143 THR HA 1 161 ARG HB3 1.800 . 3.300 2.894 2.255 3.292 . 0 0 "[ . 1]" 1 956 1 143 THR HA 1 161 ARG QG 1.800 . 5.500 3.075 1.870 4.061 . 0 0 "[ . 1]" 1 957 1 143 THR HA 1 162 THR HA 1.800 . 5.500 4.752 3.869 5.201 . 0 0 "[ . 1]" 1 958 1 145 GLU H 1 161 ARG HB3 1.800 . 3.300 2.912 2.612 3.308 0.008 2 0 "[ . 1]" 1 959 1 146 MET HG3 1 160 LEU MD1 1.800 . 5.500 2.806 1.940 3.779 . 0 0 "[ . 1]" 1 960 1 147 SER HB3 1 159 ILE MD 1.800 . 5.500 3.081 2.747 3.576 . 0 0 "[ . 1]" 1 961 1 149 PRO HA 1 158 ILE HG12 1.800 . 4.800 3.484 2.729 3.927 . 0 0 "[ . 1]" 1 962 1 150 VAL HB 1 157 HIS QB 1.800 . 2.700 2.385 2.099 2.592 . 0 0 "[ . 1]" 1 963 1 64 HIS H 1 67 SER QB 1.800 . 4.300 2.100 1.905 2.889 . 0 0 "[ . 1]" 1 964 1 71 SER HB2 1 76 GLU HA 1.800 . 4.300 3.502 2.799 3.991 . 0 0 "[ . 1]" 1 965 1 96 ILE HA 1 106 LEU MD1 1.800 . 5.500 3.787 3.303 5.487 . 0 0 "[ . 1]" 1 966 1 96 ILE HA 1 101 GLU H 1.800 . 3.800 3.210 3.030 3.447 . 0 0 "[ . 1]" 1 967 1 96 ILE H 1 101 GLU H 1.800 . 5.500 4.286 4.144 4.421 . 0 0 "[ . 1]" 1 968 1 115 SER HB3 1 120 GLY HA2 1.800 . 3.800 2.317 1.971 3.320 . 0 0 "[ . 1]" 1 969 1 141 LEU MD2 1 145 GLU HB3 1.800 . 3.800 2.613 1.899 3.840 0.040 1 0 "[ . 1]" 1 970 1 141 LEU MD2 1 145 GLU HB2 1.800 . 4.300 3.596 3.027 4.304 0.004 3 0 "[ . 1]" 1 971 1 151 PHE H 1 151 PHE HE1 1.800 . 4.800 4.317 4.209 4.430 . 0 0 "[ . 1]" 1 972 1 151 PHE HA 1 151 PHE HD2 1.800 . 3.300 3.314 3.305 3.329 0.029 3 0 "[ . 1]" 1 973 1 151 PHE HA 1 151 PHE HD1 1.800 . 3.800 3.755 3.679 3.801 0.001 1 0 "[ . 1]" 1 974 1 150 VAL HA 1 151 PHE HD1 1.800 . 3.300 3.313 3.304 3.325 0.025 4 0 "[ . 1]" 1 975 1 151 PHE H 1 151 PHE HB2 1.800 . 2.700 2.435 2.377 2.478 . 0 0 "[ . 1]" 1 976 1 151 PHE HA 1 151 PHE HB3 1.800 . 2.700 2.486 2.465 2.514 . 0 0 "[ . 1]" 1 977 1 151 PHE HB3 1 152 THR H 1.800 . 3.800 3.502 3.405 3.726 . 0 0 "[ . 1]" 1 978 1 150 VAL H 1 150 VAL MG2 1.800 . 4.300 2.506 2.345 2.698 . 0 0 "[ . 1]" 1 979 1 150 VAL HA 1 150 VAL MG2 1.800 . 3.800 2.442 2.320 2.511 . 0 0 "[ . 1]" 1 980 1 59 HIS HE1 1 157 HIS HE1 1.800 . 2.700 2.669 2.540 2.735 0.035 8 0 "[ . 1]" 1 981 1 155 GLY H 1 157 HIS HD2 1.800 . 3.300 3.253 3.155 3.309 0.009 9 0 "[ . 1]" 1 982 1 156 ILE HA 1 157 HIS HD2 1.800 . 5.500 3.242 2.945 3.581 . 0 0 "[ . 1]" 1 983 1 158 ILE H 1 158 ILE HG13 1.800 . 3.300 3.373 3.330 3.427 0.127 1 0 "[ . 1]" 1 984 1 159 ILE H 1 159 ILE HG13 1.800 . 3.300 3.092 2.756 3.305 0.005 2 0 "[ . 1]" 1 985 1 151 PHE H 1 151 PHE HD1 1.800 . 2.700 2.039 1.962 2.151 . 0 0 "[ . 1]" 1 986 1 86 LEU H 1 86 LEU QB 1.800 . 2.700 2.163 2.036 2.235 . 0 0 "[ . 1]" 1 987 1 86 LEU QB 1 151 PHE HZ 1.800 . 4.800 3.932 2.970 4.736 . 0 0 "[ . 1]" 1 988 1 72 SER HA 1 72 SER QB 1.800 . 2.700 2.414 2.270 2.539 . 0 0 "[ . 1]" 1 989 1 86 LEU HA 1 86 LEU MD1 1.800 . 3.800 2.217 1.960 2.661 . 0 0 "[ . 1]" 1 990 1 86 LEU HA 1 156 ILE MD 1.800 . 3.300 2.586 2.122 3.122 . 0 0 "[ . 1]" 1 991 1 86 LEU MD1 1 149 PRO HB3 1.800 . 3.300 2.234 1.905 2.561 . 0 0 "[ . 1]" 1 992 1 100 GLU H 1 100 GLU QB 1.800 . 3.800 2.242 2.096 2.369 . 0 0 "[ . 1]" 1 993 1 101 GLU H 1 101 GLU HB2 1.800 . 2.700 2.606 2.483 2.739 0.039 10 0 "[ . 1]" 1 994 1 101 GLU HA 1 101 GLU HB3 1.800 . 2.700 2.617 2.407 2.815 0.115 7 0 "[ . 1]" 1 995 1 64 HIS HE1 1 67 SER H 1.800 . 4.300 3.936 3.524 4.318 0.018 4 0 "[ . 1]" 1 996 1 64 HIS HE1 1 66 GLN HB2 1.800 . 2.700 2.537 1.982 2.731 0.031 5 0 "[ . 1]" 1 997 1 64 HIS HE1 1 66 GLN HB3 1.800 . 3.300 3.255 2.930 3.328 0.028 4 0 "[ . 1]" 1 998 1 64 HIS HE1 1 67 SER HA 1.800 . 4.300 3.132 2.592 3.721 . 0 0 "[ . 1]" 1 999 1 64 HIS HB3 1 64 HIS HD2 1.800 . 3.300 2.837 2.695 2.958 . 0 0 "[ . 1]" 1 1000 1 64 HIS HD2 1 156 ILE H 1.800 . 4.300 2.777 2.508 3.333 . 0 0 "[ . 1]" 1 1001 1 64 HIS HD2 1 155 GLY HA2 1.800 . 3.300 2.941 2.379 3.304 0.004 6 0 "[ . 1]" 1 1002 1 64 HIS HD2 1 155 GLY HA3 1.800 . 4.300 2.817 2.222 3.562 . 0 0 "[ . 1]" 1 1003 1 64 HIS HD2 1 156 ILE HA 1.800 . 4.800 4.716 4.472 4.835 0.035 9 0 "[ . 1]" 1 1004 1 64 HIS HD2 1 156 ILE HG12 1.800 . 4.300 3.729 3.026 4.162 . 0 0 "[ . 1]" 1 1005 1 122 LEU QB 1 125 PHE QE 1.800 . 4.300 2.604 2.293 2.893 . 0 0 "[ . 1]" 1 1006 1 122 LEU QB 1 125 PHE QD 1.800 . 4.300 2.757 2.351 3.118 . 0 0 "[ . 1]" 1 1007 1 57 CYS H 1 125 PHE QE 1.800 . 3.300 2.277 1.995 2.522 . 0 0 "[ . 1]" 1 1008 1 123 GLY HA3 1 125 PHE QD 1.800 . 4.800 4.651 4.425 4.792 . 0 0 "[ . 1]" 1 1009 1 124 ALA H 1 125 PHE QD 1.800 . 5.500 4.857 4.577 5.123 . 0 0 "[ . 1]" 1 1010 1 122 LEU H 1 122 LEU QB 1.800 . 4.300 2.520 2.319 2.750 . 0 0 "[ . 1]" 1 1011 1 122 LEU QB 1 123 GLY H 1.800 . 4.300 3.530 3.106 3.742 . 0 0 "[ . 1]" 1 1012 1 100 GLU HA 1 101 GLU HA 1.800 . 4.800 4.527 4.515 4.536 . 0 0 "[ . 1]" 1 1013 1 128 GLY HA2 1 129 GLN H 1.800 . 3.800 3.246 3.208 3.273 . 0 0 "[ . 1]" 1 1014 1 128 GLY HA3 1 129 GLN H 1.800 . 3.300 3.324 3.308 3.343 0.043 10 0 "[ . 1]" 1 1015 1 128 GLY H 1 128 GLY HA2 1.800 . 2.700 2.428 2.329 2.487 . 0 0 "[ . 1]" 1 1016 1 128 GLY H 1 129 GLN HA 1.800 . 5.500 4.862 4.717 5.154 . 0 0 "[ . 1]" 1 1017 1 127 ARG HA 1 128 GLY HA3 1.800 . 4.800 4.409 4.389 4.466 . 0 0 "[ . 1]" 1 1018 1 127 ARG HA 1 128 GLY HA2 1.800 . 4.800 4.415 4.367 4.499 . 0 0 "[ . 1]" 1 1019 1 128 GLY H 1 130 MET H 1.800 . 4.300 3.559 3.178 4.018 . 0 0 "[ . 1]" 1 1020 1 128 GLY HA2 1 130 MET H 1.800 . 5.500 4.594 4.151 4.927 . 0 0 "[ . 1]" 1 1021 1 128 GLY HA3 1 130 MET H 1.800 . 5.500 5.306 4.943 5.506 0.006 6 0 "[ . 1]" 1 1022 1 128 GLY HA3 1 129 GLN HA 1.800 . 4.800 4.454 4.439 4.462 . 0 0 "[ . 1]" 1 1023 1 128 GLY HA2 1 129 GLN HA 1.800 . 4.800 4.601 4.563 4.652 . 0 0 "[ . 1]" 1 1024 1 142 ARG H 1 145 GLU HB2 1.800 . 2.700 2.391 2.019 2.713 0.013 9 0 "[ . 1]" 1 1025 1 143 THR H 1 143 THR HB 1.800 . 3.300 2.785 2.564 3.059 . 0 0 "[ . 1]" 1 1026 1 144 GLY HA3 1 145 GLU HA 1.800 . 4.800 4.484 4.437 4.517 . 0 0 "[ . 1]" 1 1027 1 144 GLY HA2 1 145 GLU HA 1.800 . 4.800 4.567 4.479 4.670 . 0 0 "[ . 1]" 1 1028 1 81 THR HB 1 82 LYS H 1.800 . 2.700 2.359 2.072 2.612 . 0 0 "[ . 1]" 1 1029 1 81 THR H 1 84 GLU HB2 1.800 . 2.700 2.527 2.105 2.707 0.007 4 0 "[ . 1]" 1 1030 1 84 GLU HA 1 84 GLU HB3 1.800 . 2.700 2.663 2.433 2.735 0.035 8 0 "[ . 1]" 1 1031 1 60 LEU HA 1 103 PHE HE1 1.800 . 4.800 4.086 3.922 4.615 . 0 0 "[ . 1]" 1 1032 1 103 PHE HD1 1 104 GLU HA 1.800 . 3.300 3.208 2.950 3.327 0.027 1 0 "[ . 1]" 1 1033 1 103 PHE HZ 1 158 ILE HB 1.800 . 3.300 3.337 3.312 3.392 0.092 1 0 "[ . 1]" 1 1034 1 103 PHE HZ 1 160 LEU H 1.800 . 5.500 4.414 4.029 5.147 . 0 0 "[ . 1]" 1 1035 1 103 PHE HZ 1 158 ILE H 1.800 . 4.800 4.278 3.903 4.629 . 0 0 "[ . 1]" 1 1036 1 15 MET HA 1 22 VAL HA 1.800 . 2.700 2.168 1.843 2.414 . 0 0 "[ . 1]" 1 1037 1 13 LYS HA 1 24 TYR HA 1.800 . 2.700 2.285 2.052 2.565 . 0 0 "[ . 1]" 1 1038 1 11 TRP HA 1 26 ASN HA 1.800 . 2.700 2.104 1.972 2.272 . 0 0 "[ . 1]" 1 1039 1 25 PHE HA 1 32 SER HA 1.800 . 2.700 2.343 2.126 2.448 . 0 0 "[ . 1]" 1 1040 1 23 TYR HA 1 34 TRP HA 1.800 . 3.300 3.203 2.700 3.331 0.031 7 0 "[ . 1]" 1 1041 1 20 GLY HA3 1 21 ARG H 1.800 . 3.800 3.079 2.431 3.435 . 0 0 "[ . 1]" 1 1042 1 20 GLY HA2 1 21 ARG H 1.800 . 3.800 3.266 2.643 3.570 . 0 0 "[ . 1]" 1 1043 1 21 ARG HA 1 22 VAL H 1.800 . 2.700 2.211 2.137 2.720 0.020 5 0 "[ . 1]" 1 1044 1 23 TYR HA 1 24 TYR H 1.800 . 3.300 2.813 2.692 2.903 . 0 0 "[ . 1]" 1 1045 1 24 TYR HA 1 25 PHE H 1.800 . 2.700 2.184 2.148 2.259 . 0 0 "[ . 1]" 1 1046 1 25 PHE HA 1 26 ASN H 1.800 . 2.700 2.190 2.156 2.247 . 0 0 "[ . 1]" 1 1047 1 26 ASN HA 1 27 HIS H 1.800 . 2.700 2.155 2.146 2.165 . 0 0 "[ . 1]" 1 1048 1 27 HIS HA 1 28 ILE H 1.800 . 3.800 3.481 3.432 3.521 . 0 0 "[ . 1]" 1 1049 1 28 ILE HA 1 29 THR H 1.800 . 3.800 3.519 3.502 3.545 . 0 0 "[ . 1]" 1 1050 1 29 THR HA 1 30 ASN H 1.800 . 3.800 3.291 3.217 3.426 . 0 0 "[ . 1]" 1 1051 1 30 ASN HA 1 31 ALA H 1.800 . 3.800 2.666 2.407 3.073 . 0 0 "[ . 1]" 1 1052 1 31 ALA HA 1 32 SER H 1.800 . 2.700 2.240 2.140 2.364 . 0 0 "[ . 1]" 1 1053 1 32 SER HA 1 33 GLN H 1.800 . 2.700 2.160 2.145 2.184 . 0 0 "[ . 1]" 1 1054 1 16 SER HA 1 17 ARG H 1.800 . 2.700 2.409 2.149 2.735 0.035 7 0 "[ . 1]" 1 1055 1 15 MET HA 1 16 SER H 1.800 . 2.700 2.244 2.143 2.411 . 0 0 "[ . 1]" 1 1056 1 14 ARG HA 1 15 MET H 1.800 . 2.700 2.303 2.207 2.426 . 0 0 "[ . 1]" 1 1057 1 13 LYS HA 1 14 ARG H 1.800 . 2.700 2.157 2.107 2.197 . 0 0 "[ . 1]" 1 1058 1 12 GLU HA 1 13 LYS H 1.800 . 2.700 2.203 2.166 2.251 . 0 0 "[ . 1]" 1 1059 1 11 TRP HA 1 12 GLU H 1.800 . 2.700 2.193 2.158 2.290 . 0 0 "[ . 1]" 1 1060 1 12 GLU H 1 13 LYS H 1.800 . 5.500 4.224 4.163 4.312 . 0 0 "[ . 1]" 1 1061 1 11 TRP H 1 12 GLU H 1.800 . 4.800 4.575 4.533 4.601 . 0 0 "[ . 1]" 1 1062 1 13 LYS H 1 14 ARG H 1.800 . 4.800 4.523 4.401 4.587 . 0 0 "[ . 1]" 1 1063 1 14 ARG H 1 15 MET H 1.800 . 4.800 4.417 4.344 4.459 . 0 0 "[ . 1]" 1 1064 1 16 SER H 1 23 TYR H 1.800 . 5.500 4.479 3.643 5.123 . 0 0 "[ . 1]" 1 1065 1 12 GLU H 1 27 HIS H 1.800 . 4.800 4.821 4.806 4.844 0.044 3 0 "[ . 1]" 1 1066 1 12 GLU H 1 25 PHE H 1.800 . 3.300 2.729 2.386 3.017 . 0 0 "[ . 1]" 1 1067 1 27 HIS H 1 28 ILE H 1.800 . 3.300 2.444 2.344 2.539 . 0 0 "[ . 1]" 1 1068 1 27 HIS H 1 29 THR H 1.800 . 4.800 4.275 4.021 4.530 . 0 0 "[ . 1]" 1 1069 1 28 ILE H 1 29 THR H 1.800 . 2.700 2.703 2.627 2.721 0.021 4 0 "[ . 1]" 1 1070 1 29 THR H 1 30 ASN H 1.800 . 2.700 1.989 1.915 2.208 . 0 0 "[ . 1]" 1 1071 1 28 ILE H 1 30 ASN H 1.800 . 3.800 3.582 3.454 3.681 . 0 0 "[ . 1]" 1 1072 1 30 ASN H 1 31 ALA H 1.800 . 3.300 2.851 2.467 3.123 . 0 0 "[ . 1]" 1 1073 1 21 ARG H 1 22 VAL H 1.800 . 5.500 4.413 4.223 4.527 . 0 0 "[ . 1]" 1 1074 1 22 VAL H 1 23 TYR H 1.800 . 4.800 4.414 4.183 4.545 . 0 0 "[ . 1]" 1 1075 1 23 TYR H 1 24 TYR H 1.800 . 4.800 4.306 4.231 4.442 . 0 0 "[ . 1]" 1 1076 1 24 TYR H 1 25 PHE H 1.800 . 4.800 4.327 4.223 4.386 . 0 0 "[ . 1]" 1 1077 1 25 PHE H 1 26 ASN H 1.800 . 4.800 4.363 4.302 4.440 . 0 0 "[ . 1]" 1 1078 1 23 TYR QD 1 24 TYR H 1.800 . 3.300 2.311 1.996 2.572 . 0 0 "[ . 1]" 1 1079 1 15 MET HA 1 23 TYR QD 1.800 . 3.800 3.275 2.659 3.783 . 0 0 "[ . 1]" 1 1080 1 23 TYR QE 1 25 PHE H 1.800 . 5.300 4.574 4.341 4.808 . 0 0 "[ . 1]" 1 1081 1 23 TYR QE 1 25 PHE HA 1.800 . 4.300 3.720 3.131 4.167 . 0 0 "[ . 1]" 1 1082 1 24 TYR H 1 25 PHE HB2 1.800 . 4.800 4.864 4.828 4.891 0.091 7 0 "[ . 1]" 1 1083 1 22 VAL H 1 22 VAL HB 1.800 . 2.700 2.579 2.372 2.632 . 0 0 "[ . 1]" 1 1084 1 22 VAL H 1 22 VAL MG2 1.800 . 4.300 2.336 1.930 2.906 . 0 0 "[ . 1]" 1 1085 1 22 VAL MG1 1 23 TYR H 1.800 . 3.800 2.679 2.277 3.205 . 0 0 "[ . 1]" 1 1086 1 13 LYS HA 1 25 PHE H 1.800 . 3.800 3.361 2.996 3.566 . 0 0 "[ . 1]" 1 1087 1 11 TRP HA 1 27 HIS H 1.800 . 3.800 3.753 3.475 3.832 0.032 6 0 "[ . 1]" 1 1088 1 25 PHE HA 1 33 GLN H 1.800 . 4.300 3.550 3.357 3.684 . 0 0 "[ . 1]" 1 1089 1 14 ARG H 1 24 TYR HA 1.800 . 3.800 3.252 3.001 3.571 . 0 0 "[ . 1]" 1 1090 1 16 SER H 1 22 VAL HA 1.800 . 4.300 3.692 3.259 4.039 . 0 0 "[ . 1]" 1 1091 1 24 TYR H 1 24 TYR HD1 1.800 . 3.300 2.539 2.075 2.932 . 0 0 "[ . 1]" 1 1092 1 25 PHE H 1 25 PHE HB3 1.800 . 2.700 2.683 2.596 2.727 0.027 3 0 "[ . 1]" 1 1093 1 25 PHE H 1 25 PHE HB2 1.800 . 3.300 3.265 3.175 3.306 0.006 7 0 "[ . 1]" 1 1094 1 12 GLU H 1 25 PHE HB3 1.800 . 4.300 4.108 3.936 4.309 0.009 4 0 "[ . 1]" 1 1095 1 25 PHE QD 1 32 SER HA 1.800 . 3.300 2.600 2.203 3.103 . 0 0 "[ . 1]" 1 1096 1 25 PHE QD 1 27 HIS HE1 1.800 . 3.800 3.494 3.091 3.792 . 0 0 "[ . 1]" 1 1097 1 25 PHE QE 1 27 HIS HE1 1.800 . 3.800 3.391 3.185 3.794 . 0 0 "[ . 1]" 1 1098 1 11 TRP HE1 1 26 ASN HB2 1.800 . 4.800 3.392 3.016 3.587 . 0 0 "[ . 1]" 1 1099 1 11 TRP HD1 1 26 ASN HB2 1.800 . 3.800 3.767 3.265 3.867 0.067 9 0 "[ . 1]" 1 1100 1 11 TRP HD1 1 26 ASN HD22 1.800 . 3.800 3.744 3.474 3.833 0.033 9 0 "[ . 1]" 1 1101 1 11 TRP HD1 1 26 ASN HD21 1.800 . 3.800 3.024 2.562 3.754 . 0 0 "[ . 1]" 1 1102 1 26 ASN H 1 26 ASN HB2 1.800 . 3.300 3.094 2.969 3.216 . 0 0 "[ . 1]" 1 1103 1 26 ASN H 1 26 ASN HB3 1.800 . 3.300 2.509 2.448 2.592 . 0 0 "[ . 1]" 1 1104 1 23 TYR QD 1 24 TYR HA 1.800 . 4.300 3.999 3.703 4.176 . 0 0 "[ . 1]" 1 1105 1 24 TYR HD1 1 35 GLU H 1.800 . 3.300 3.294 3.222 3.325 0.025 8 0 "[ . 1]" 1 1106 1 24 TYR HE1 1 35 GLU H 1.800 . 3.300 2.740 2.187 3.358 0.058 8 0 "[ . 1]" 1 1107 1 23 TYR HA 1 24 TYR HD1 1.800 . 3.300 3.157 2.937 3.343 0.043 8 0 "[ . 1]" 1 1108 1 24 TYR QD 1 36 ARG HA 1.800 . 4.300 3.717 3.071 4.299 . 0 0 "[ . 1]" 1 1109 1 35 GLU H 1 36 ARG H 1.800 . 4.800 4.444 4.259 4.584 . 0 0 "[ . 1]" 1 1110 1 23 TYR HB2 1 24 TYR H 1.800 . 2.700 1.920 1.809 2.032 . 0 0 "[ . 1]" 1 1111 1 25 PHE QE 1 27 HIS HA 1.800 . 2.700 2.498 1.986 2.710 0.010 3 0 "[ . 1]" 1 1112 1 25 PHE HZ 1 30 ASN HA 1.800 . 3.300 2.297 2.134 2.475 . 0 0 "[ . 1]" 1 1113 1 25 PHE HZ 1 30 ASN H 1.800 . 4.800 4.408 4.169 4.603 . 0 0 "[ . 1]" 1 1114 1 25 PHE QE 1 30 ASN HA 1.800 . 3.300 2.940 2.515 3.087 . 0 0 "[ . 1]" 1 1115 1 25 PHE QD 1 27 HIS H 1.800 . 4.300 3.945 3.452 4.269 . 0 0 "[ . 1]" 1 1116 1 27 HIS HA 1 30 ASN H 1.800 . 4.300 2.923 2.782 3.047 . 0 0 "[ . 1]" 1 1117 1 27 HIS HA 1 30 ASN HA 1.800 . 2.700 2.748 2.733 2.767 0.067 7 0 "[ . 1]" 1 1118 1 11 TRP HD1 1 37 PRO HB2 1.800 . 4.300 4.160 3.739 4.326 0.026 6 0 "[ . 1]" 1 1119 1 11 TRP HD1 1 37 PRO HB3 1.800 . 5.500 5.147 4.789 5.420 . 0 0 "[ . 1]" 1 1120 1 14 ARG QB 1 15 MET H 1.800 . 3.800 3.091 2.351 3.555 . 0 0 "[ . 1]" 1 1121 1 11 TRP HE1 1 37 PRO QG 1.800 . 5.500 4.300 4.100 4.478 . 0 0 "[ . 1]" 1 1122 1 11 TRP HB3 1 12 GLU H 1.800 . 3.300 3.067 2.798 3.262 . 0 0 "[ . 1]" 1 1123 1 11 TRP HB2 1 12 GLU H 1.800 . 4.300 4.201 4.074 4.315 0.015 5 0 "[ . 1]" 1 1124 1 7 LEU MD2 1 38 SER H 1.800 . 3.800 3.562 3.099 3.810 0.010 1 0 "[ . 1]" 1 1125 1 7 LEU MD1 1 12 GLU HA 1.800 . 3.800 3.076 1.870 3.809 0.009 6 0 "[ . 1]" 1 1126 1 7 LEU MD1 1 12 GLU H 1.800 . 5.500 4.465 3.784 5.219 . 0 0 "[ . 1]" 1 1127 1 7 LEU MD1 1 24 TYR HD2 1.800 . 3.800 2.867 2.139 3.738 . 0 0 "[ . 1]" 1 1128 1 7 LEU MD1 1 24 TYR HE2 1.800 . 4.300 3.281 2.608 4.284 . 0 0 "[ . 1]" 1 1129 1 7 LEU MD2 1 24 TYR HD2 1.800 . 5.500 2.249 1.832 2.710 . 0 0 "[ . 1]" 1 1130 1 7 LEU MD2 1 24 TYR HE2 1.800 . 5.500 3.059 2.117 3.654 . 0 0 "[ . 1]" 1 1131 1 24 TYR HB2 1 37 PRO QG 1.800 . 4.800 4.145 3.444 4.680 . 0 0 "[ . 1]" 1 1132 1 19 SER HB2 1 20 GLY H 1.800 . 2.700 2.368 1.955 2.712 0.012 5 0 "[ . 1]" 1 1133 1 16 SER H 1 19 SER HB2 1.800 . 5.500 4.824 3.840 5.541 0.041 10 0 "[ . 1]" 1 1134 1 15 MET ME 1 22 VAL MG2 1.800 . 4.300 2.441 1.797 4.139 0.003 2 0 "[ . 1]" 1 1135 1 15 MET ME 1 22 VAL H 1.800 . 5.500 4.548 3.746 5.503 0.003 4 0 "[ . 1]" 1 1136 1 15 MET ME 1 22 VAL HA 1.800 . 5.500 4.298 3.228 5.520 0.020 5 0 "[ . 1]" 1 1137 1 13 LYS QG 1 22 VAL MG1 1.800 . 3.800 3.733 3.432 3.842 0.042 7 0 "[ . 1]" 1 1138 1 16 SER H 1 23 TYR QE 1.800 . 4.300 3.610 2.854 4.193 . 0 0 "[ . 1]" 1 1139 1 16 SER H 1 23 TYR QD 1.800 . 3.800 3.394 2.405 3.809 0.009 7 0 "[ . 1]" 1 1140 1 17 ARG H 1 23 TYR QE 1.800 . 5.500 4.893 3.388 5.476 . 0 0 "[ . 1]" 1 1141 1 10 GLY HA3 1 11 TRP H 1.800 . 3.800 2.943 2.798 3.067 . 0 0 "[ . 1]" 1 1142 1 10 GLY HA2 1 11 TRP H 1.800 . 3.800 3.501 3.450 3.553 . 0 0 "[ . 1]" 1 1143 1 10 GLY HA3 1 11 TRP HD1 1.800 . 5.500 4.547 4.280 4.921 . 0 0 "[ . 1]" 1 1144 1 10 GLY H 1 11 TRP H 1.800 . 3.300 2.885 2.707 3.195 . 0 0 "[ . 1]" 1 1145 1 12 GLU QG 1 13 LYS H 1.800 . 3.300 2.504 2.145 2.968 . 0 0 "[ . 1]" 1 1146 1 12 GLU H 1 12 GLU HB2 1.800 . 3.800 3.391 3.196 3.848 0.048 10 0 "[ . 1]" 1 1147 1 12 GLU H 1 12 GLU HB3 1.800 . 3.300 2.994 2.805 3.244 . 0 0 "[ . 1]" 1 1148 1 12 GLU HB3 1 13 LYS H 1.800 . 4.300 4.017 3.695 4.313 0.013 10 0 "[ . 1]" 1 1149 1 12 GLU HB2 1 13 LYS H 1.800 . 4.300 4.082 3.384 4.303 0.003 5 0 "[ . 1]" 1 1150 1 12 GLU H 1 13 LYS QG 1.800 . 4.800 4.820 4.760 4.861 0.061 3 0 "[ . 1]" 1 1151 1 13 LYS QB 1 14 ARG H 1.800 . 4.800 3.132 2.961 3.378 . 0 0 "[ . 1]" 1 1152 1 13 LYS QD 1 14 ARG H 1.800 . 5.500 5.359 4.841 5.548 0.048 5 0 "[ . 1]" 1 1153 1 31 ALA H 1 31 ALA MB 1.800 . 3.800 2.358 2.127 2.638 . 0 0 "[ . 1]" 1 1154 1 31 ALA MB 1 32 SER H 1.800 . 4.300 2.882 2.510 3.378 . 0 0 "[ . 1]" 1 1155 1 25 PHE HA 1 26 ASN HB2 1.800 . 4.800 4.548 4.424 4.708 . 0 0 "[ . 1]" 1 1156 1 26 ASN HB3 1 31 ALA H 1.800 . 2.700 2.623 2.448 2.715 0.015 6 0 "[ . 1]" 1 1157 1 26 ASN HB2 1 31 ALA H 1.800 . 4.300 4.248 4.136 4.329 0.029 3 0 "[ . 1]" 1 1158 1 33 GLN HA 1 33 GLN QB 1.800 . 2.700 2.172 2.145 2.345 . 0 0 "[ . 1]" 1 1159 1 33 GLN H 1 33 GLN HG2 1.800 . 3.300 2.673 2.284 3.209 . 0 0 "[ . 1]" 1 1160 1 33 GLN H 1 33 GLN HG3 1.800 . 3.800 3.372 2.750 3.823 0.023 4 0 "[ . 1]" 1 1161 1 25 PHE QE 1 31 ALA H 1.800 . 5.500 3.783 2.998 4.670 . 0 0 "[ . 1]" 1 1162 1 24 TYR H 1 33 GLN H 1.800 . 3.300 3.197 3.093 3.308 0.008 4 0 "[ . 1]" 1 1163 1 11 TRP HZ2 1 37 PRO HB2 1.800 . 4.800 3.438 3.090 4.493 . 0 0 "[ . 1]" 1 1164 1 11 TRP HE3 1 37 PRO HB2 1.800 . 5.500 4.536 4.189 5.142 . 0 0 "[ . 1]" 1 1165 1 11 TRP HH2 1 37 PRO HB2 1.800 . 5.500 4.420 3.962 5.500 0.000 4 0 "[ . 1]" 1 1166 1 11 TRP HH2 1 37 PRO HB3 1.800 . 4.300 3.159 2.930 3.826 . 0 0 "[ . 1]" 1 1167 1 11 TRP HZ2 1 37 PRO HB3 1.800 . 3.800 3.236 2.993 3.429 . 0 0 "[ . 1]" 1 1168 1 11 TRP HE3 1 37 PRO HD3 1.800 . 4.300 3.983 3.731 4.310 0.010 9 0 "[ . 1]" 1 1169 1 11 TRP HE3 1 37 PRO HG3 1.800 . 3.300 2.719 2.425 2.921 . 0 0 "[ . 1]" 1 1170 1 11 TRP HE3 1 37 PRO HD2 1.800 . 5.500 5.129 4.788 5.446 . 0 0 "[ . 1]" 1 1171 1 36 ARG HA 1 37 PRO HD3 1.800 . 2.700 2.194 2.102 2.459 . 0 0 "[ . 1]" 1 1172 1 36 ARG HA 1 37 PRO HD2 1.800 . 2.700 2.357 2.063 2.548 . 0 0 "[ . 1]" 1 1173 1 11 TRP HB3 1 37 PRO QG 1.800 . 3.800 2.646 2.338 3.015 . 0 0 "[ . 1]" 1 1174 1 36 ARG HG3 1 37 PRO HD2 1.800 . 3.300 2.239 1.762 3.168 0.038 1 0 "[ . 1]" 1 1175 1 36 ARG HG2 1 37 PRO HD2 1.800 . 3.300 2.668 1.966 3.401 0.101 4 0 "[ . 1]" 1 1176 1 17 ARG H 1 18 SER H 1.800 . 4.800 4.305 2.983 4.647 . 0 0 "[ . 1]" 1 1177 1 18 SER H 1 19 SER H 1.800 . 3.300 2.923 2.823 3.301 0.001 5 0 "[ . 1]" 1 1178 1 17 ARG HA 1 18 SER H 1.800 . 2.700 2.269 2.134 2.540 . 0 0 "[ . 1]" 1 1179 1 16 SER H 1 16 SER HB2 1.800 . 2.700 2.248 2.071 2.537 . 0 0 "[ . 1]" 1 1180 1 16 SER H 1 16 SER HB3 1.800 . 4.300 3.174 2.544 3.579 . 0 0 "[ . 1]" 1 1181 1 18 SER HA 1 19 SER H 1.800 . 4.300 3.246 3.028 3.552 . 0 0 "[ . 1]" 1 1182 1 16 SER H 1 19 SER HB3 1.800 . 5.500 5.181 4.369 5.517 0.017 1 0 "[ . 1]" 1 1183 1 18 SER QB 1 19 SER H 1.800 . 4.800 3.593 2.510 4.022 . 0 0 "[ . 1]" 1 1184 1 17 ARG HA 1 17 ARG QG 1.800 . 3.300 2.516 2.022 3.345 0.045 10 0 "[ . 1]" 1 1185 1 9 PRO HA 1 10 GLY H 1.800 . 2.700 2.167 2.147 2.197 . 0 0 "[ . 1]" 1 1186 1 9 PRO HB3 1 10 GLY H 1.800 . 4.800 3.538 3.262 3.759 . 0 0 "[ . 1]" 1 1187 1 9 PRO HA 1 11 TRP H 1.800 . 4.300 3.728 3.474 3.923 . 0 0 "[ . 1]" 1 1188 1 9 PRO HA 1 11 TRP HD1 1.800 . 5.500 5.526 5.504 5.575 0.075 9 0 "[ . 1]" 1 1189 1 9 PRO HD2 1 11 TRP HD1 1.800 . 5.500 4.913 4.165 5.297 . 0 0 "[ . 1]" 1 1190 1 8 PRO HA 1 9 PRO HD3 1.800 . 2.700 2.176 2.083 2.260 . 0 0 "[ . 1]" 1 1191 1 8 PRO HA 1 9 PRO HD2 1.800 . 3.300 3.025 2.855 3.210 . 0 0 "[ . 1]" 1 1192 1 8 PRO HB3 1 9 PRO HD2 1.800 . 2.700 2.659 2.337 2.764 0.064 9 0 "[ . 1]" 1 1193 1 7 LEU H 1 8 PRO HD3 1.800 . 3.800 3.252 2.709 3.882 0.082 7 0 "[ . 1]" 1 1194 1 7 LEU MD1 1 11 TRP HB3 1.800 . 4.800 3.660 2.946 4.176 . 0 0 "[ . 1]" 1 1195 1 7 LEU HB3 1 11 TRP HB3 1.800 . 4.300 2.739 2.016 3.500 . 0 0 "[ . 1]" 1 1196 1 11 TRP HE3 1 25 PHE H 1.800 . 3.300 3.060 2.772 3.300 . 2 0 "[ . 1]" 1 1197 1 11 TRP HE3 1 24 TYR HB3 1.800 . 3.800 2.436 2.208 2.609 . 0 0 "[ . 1]" 1 1198 1 11 TRP HA 1 11 TRP HE3 1.800 . 3.300 3.129 2.894 3.372 0.072 9 0 "[ . 1]" 1 1199 1 23 TYR QD 1 32 SER HA 1.800 . 3.300 3.283 3.164 3.353 0.053 6 0 "[ . 1]" 1 1200 1 23 TYR QE 1 32 SER HA 1.800 . 3.800 3.217 2.378 3.802 0.002 10 0 "[ . 1]" 1 1201 1 11 TRP HH2 1 33 GLN H 1.800 . 5.500 4.278 3.425 4.883 . 0 0 "[ . 1]" 1 1202 1 15 MET ME 1 21 ARG H 1.800 . 5.500 4.865 3.753 5.509 0.009 5 0 "[ . 1]" 1 1203 1 15 MET HG2 1 16 SER H 1.800 . 3.300 2.852 2.241 3.301 0.001 5 0 "[ . 1]" 1 1204 1 15 MET HB3 1 16 SER H 1.800 . 4.300 3.789 2.918 4.222 . 0 0 "[ . 1]" 1 1205 1 15 MET HG3 1 21 ARG H 1.800 . 3.800 3.715 3.105 3.934 0.134 5 0 "[ . 1]" 1 1206 1 15 MET HA 1 15 MET HB2 1.800 . 2.700 2.549 2.401 2.774 0.074 7 0 "[ . 1]" 1 1207 1 15 MET H 1 15 MET HB2 1.800 . 3.800 2.677 2.249 3.009 . 0 0 "[ . 1]" 1 1208 1 11 TRP HA 1 27 HIS HD2 1.800 . 4.300 4.236 3.904 4.320 0.020 10 0 "[ . 1]" 1 1209 1 26 ASN HA 1 27 HIS HD2 1.800 . 4.300 3.573 3.321 3.804 . 0 0 "[ . 1]" 1 1210 1 10 GLY HA3 1 28 ILE MD 1.800 . 4.300 2.955 1.866 3.890 . 0 0 "[ . 1]" 1 1211 1 10 GLY HA2 1 28 ILE MD 1.800 . 5.500 3.291 1.854 4.589 . 0 0 "[ . 1]" 1 1212 1 28 ILE H 1 28 ILE HB 1.800 . 2.700 2.336 2.103 2.715 0.015 9 0 "[ . 1]" 1 1213 1 28 ILE HA 1 28 ILE MG 1.800 . 3.300 2.721 2.326 3.155 . 0 0 "[ . 1]" 1 1214 1 10 GLY H 1 28 ILE MD 1.800 . 5.500 4.201 3.257 5.070 . 0 0 "[ . 1]" 1 1215 1 22 VAL HA 1 22 VAL MG1 1.800 . 4.300 2.331 2.201 2.526 . 0 0 "[ . 1]" 1 1216 1 22 VAL HA 1 22 VAL MG2 1.800 . 4.300 2.424 2.141 2.519 . 0 0 "[ . 1]" 1 1217 1 34 TRP H 1 34 TRP HB2 1.800 . 2.700 2.609 2.390 2.739 0.039 1 0 "[ . 1]" 1 1218 1 34 TRP HB2 1 35 GLU H 1.800 . 3.300 3.026 2.872 3.395 0.095 8 0 "[ . 1]" 1 1219 1 34 TRP HB2 1 35 GLU HA 1.800 . 4.800 4.688 4.579 4.817 0.017 5 0 "[ . 1]" 1 1220 1 34 TRP HA 1 34 TRP HB3 1.800 . 2.700 2.402 2.342 2.494 . 0 0 "[ . 1]" 1 1221 1 34 TRP HB3 1 35 GLU H 1.800 . 4.300 2.529 1.955 4.195 . 0 0 "[ . 1]" 1 1222 1 34 TRP HB3 1 35 GLU HA 1.800 . 4.800 4.360 4.094 4.777 . 0 0 "[ . 1]" 1 1223 1 34 TRP HB2 1 34 TRP HD1 1.800 . 2.700 2.582 2.559 2.596 . 0 0 "[ . 1]" 1 1224 1 34 TRP HB3 1 34 TRP HD1 1.800 . 3.800 3.688 3.385 3.742 . 0 0 "[ . 1]" 1 1225 1 34 TRP HB2 1 34 TRP HE1 1.800 . 4.800 4.760 4.753 4.767 . 0 0 "[ . 1]" 1 1226 1 34 TRP HB3 1 34 TRP HE3 1.800 . 3.300 2.806 2.704 3.303 0.003 4 0 "[ . 1]" 1 1227 1 34 TRP HA 1 34 TRP HE3 1.800 . 2.700 2.617 2.014 2.731 0.031 3 0 "[ . 1]" 1 1228 1 33 GLN HA 1 33 GLN HB3 1.800 . 2.700 2.285 2.245 2.456 . 0 0 "[ . 1]" 1 1229 1 33 GLN HA 1 33 GLN HB2 1.800 . 2.700 2.714 2.667 2.968 0.268 10 0 "[ . 1]" 1 1230 1 33 GLN HB3 1 34 TRP H 1.800 . 3.300 3.232 2.626 3.311 0.011 8 0 "[ . 1]" 1 1231 1 33 GLN H 1 33 GLN HB2 1.800 . 3.800 3.699 2.641 3.856 0.056 5 0 "[ . 1]" 1 1232 1 33 GLN H 1 33 GLN QG 1.800 . 4.300 2.496 2.267 3.001 . 0 0 "[ . 1]" 1 1233 1 35 GLU HA 1 36 ARG H 1.800 . 2.700 2.446 2.248 2.600 . 0 0 "[ . 1]" 1 1234 1 35 GLU QB 1 36 ARG H 1.800 . 4.800 2.703 2.031 3.481 . 0 0 "[ . 1]" 1 1235 1 36 ARG H 1 36 ARG QB 1.800 . 3.300 2.196 2.038 2.268 . 0 0 "[ . 1]" 1 1236 1 7 LEU MD1 1 13 LYS H 1.800 . 4.300 3.180 1.908 3.758 . 0 0 "[ . 1]" 1 1237 1 7 LEU H 1 7 LEU HG 1.800 . 4.300 3.102 2.611 3.746 . 0 0 "[ . 1]" 1 1238 1 8 PRO HD2 1 37 PRO HG2 1.800 . 2.700 2.525 2.307 2.710 0.010 2 0 "[ . 1]" 1 1239 1 8 PRO HA 1 9 PRO HA 1.800 . 4.800 4.394 4.386 4.408 . 0 0 "[ . 1]" 1 1240 1 8 PRO HB2 1 9 PRO HD2 1.800 . 2.700 2.177 1.928 2.707 0.007 5 0 "[ . 1]" 1 1241 1 38 SER HB3 1 39 GLY H 1.800 . 2.700 2.615 2.129 2.817 0.117 5 0 "[ . 1]" 1 1242 1 38 SER HB2 1 39 GLY H 1.800 . 4.300 3.159 1.974 3.984 . 0 0 "[ . 1]" 1 1243 1 38 SER HA 1 39 GLY H 1.800 . 2.700 2.612 2.343 2.744 0.044 2 0 "[ . 1]" 1 1244 1 37 PRO HD2 1 38 SER H 1.800 . 3.300 2.642 2.220 3.318 0.018 1 0 "[ . 1]" 1 1245 1 8 PRO HD3 1 38 SER HB3 1.800 . 2.700 2.610 2.252 2.843 0.143 7 0 "[ . 1]" 1 1246 1 8 PRO HD2 1 38 SER HB3 1.800 . 4.300 3.808 3.240 4.295 . 0 0 "[ . 1]" 1 1247 1 8 PRO HB3 1 38 SER HB3 1.800 . 5.500 4.627 3.149 5.493 . 0 0 "[ . 1]" 1 1248 1 6 LYS HA 1 7 LEU H 1.800 . 2.700 2.389 2.127 2.728 0.028 6 0 "[ . 1]" 1 1249 1 6 LYS H 1 7 LEU H 1.800 . 4.300 4.182 3.887 4.411 0.110 7 0 "[ . 1]" 1 1250 1 6 LYS QG 1 7 LEU H 1.800 . 4.300 3.191 2.120 4.326 0.026 4 0 "[ . 1]" 1 1251 1 6 LYS QE 1 7 LEU H 1.800 . 5.500 4.520 1.972 5.420 . 0 0 "[ . 1]" 1 1252 1 15 MET HA 1 23 TYR H 1.800 . 3.800 3.265 2.485 3.666 . 0 0 "[ . 1]" 1 1253 1 26 ASN H 1 30 ASN HA 1.800 . 4.300 4.262 4.135 4.316 0.016 8 0 "[ . 1]" 1 1254 1 26 ASN H 1 32 SER HA 1.800 . 3.800 3.750 3.629 3.832 0.032 3 0 "[ . 1]" 1 1255 1 24 TYR H 1 34 TRP HA 1.800 . 3.800 3.304 3.019 3.645 . 0 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 156 _Distance_constraint_stats_list.Viol_count 274 _Distance_constraint_stats_list.Viol_total 74.631 _Distance_constraint_stats_list.Viol_max 0.179 _Distance_constraint_stats_list.Viol_rms 0.0160 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0048 _Distance_constraint_stats_list.Viol_average_violations_only 0.0272 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 PRO 0.039 0.019 6 0 "[ . 1]" 1 10 GLY 0.013 0.013 9 0 "[ . 1]" 1 11 TRP 0.039 0.019 6 0 "[ . 1]" 1 12 GLU 0.000 0.000 . 0 "[ . 1]" 1 14 ARG 0.141 0.030 8 0 "[ . 1]" 1 16 SER 0.080 0.062 5 0 "[ . 1]" 1 17 ARG 0.494 0.077 7 0 "[ . 1]" 1 19 SER 0.494 0.077 7 0 "[ . 1]" 1 21 ARG 0.080 0.062 5 0 "[ . 1]" 1 23 TYR 0.141 0.030 8 0 "[ . 1]" 1 24 TYR 0.010 0.010 9 0 "[ . 1]" 1 25 PHE 0.000 0.000 . 0 "[ . 1]" 1 26 ASN 0.125 0.033 9 0 "[ . 1]" 1 27 HIS 0.013 0.013 9 0 "[ . 1]" 1 28 ILE 0.031 0.028 3 0 "[ . 1]" 1 29 THR 0.094 0.033 9 0 "[ . 1]" 1 30 ASN 0.000 0.000 . 0 "[ . 1]" 1 31 ALA 0.000 0.000 . 0 "[ . 1]" 1 33 GLN 0.010 0.010 9 0 "[ . 1]" 1 55 VAL 0.000 0.000 . 0 "[ . 1]" 1 56 ARG 0.100 0.021 4 0 "[ . 1]" 1 57 CYS 0.018 0.018 2 0 "[ . 1]" 1 58 SER 0.000 0.000 . 0 "[ . 1]" 1 59 HIS 0.000 0.000 . 0 "[ . 1]" 1 60 LEU 0.193 0.045 8 0 "[ . 1]" 1 61 LEU 0.000 0.000 . 0 "[ . 1]" 1 62 VAL 0.145 0.034 5 0 "[ . 1]" 1 65 SER 0.002 0.002 1 0 "[ . 1]" 1 68 ARG 0.189 0.031 4 0 "[ . 1]" 1 70 PRO 0.013 0.013 4 0 "[ . 1]" 1 72 SER 0.105 0.024 5 0 "[ . 1]" 1 75 GLN 0.105 0.024 5 0 "[ . 1]" 1 78 ILE 0.013 0.013 4 0 "[ . 1]" 1 80 ARG 0.002 0.002 1 0 "[ . 1]" 1 83 GLU 0.000 0.000 . 0 "[ . 1]" 1 84 GLU 0.085 0.017 6 0 "[ . 1]" 1 85 ALA 0.029 0.012 3 0 "[ . 1]" 1 86 LEU 0.000 0.000 . 0 "[ . 1]" 1 87 GLU 0.003 0.003 10 0 "[ . 1]" 1 88 LEU 0.085 0.017 6 0 "[ . 1]" 1 89 ILE 0.029 0.012 3 0 "[ . 1]" 1 90 ASN 0.009 0.009 8 0 "[ . 1]" 1 91 GLY 0.068 0.019 1 0 "[ . 1]" 1 92 TYR 0.039 0.027 6 0 "[ . 1]" 1 93 ILE 0.005 0.005 10 0 "[ . 1]" 1 94 GLN 0.009 0.009 8 0 "[ . 1]" 1 95 LYS 1.497 0.075 6 0 "[ . 1]" 1 96 ILE 0.053 0.027 6 0 "[ . 1]" 1 97 LYS 0.005 0.005 10 0 "[ . 1]" 1 98 SER 0.680 0.075 6 0 "[ . 1]" 1 99 GLY 0.077 0.019 2 0 "[ . 1]" 1 100 GLU 0.096 0.016 4 0 "[ . 1]" 1 101 GLU 0.712 0.058 10 0 "[ . 1]" 1 102 ASP 0.000 0.000 . 0 "[ . 1]" 1 103 PHE 0.000 0.000 . 0 "[ . 1]" 1 104 GLU 0.186 0.037 8 0 "[ . 1]" 1 105 SER 0.145 0.033 9 0 "[ . 1]" 1 106 LEU 1.001 0.158 1 0 "[ . 1]" 1 107 ALA 0.000 0.000 . 0 "[ . 1]" 1 108 SER 1.871 0.179 1 0 "[ . 1]" 1 109 GLN 0.982 0.158 1 0 "[ . 1]" 1 110 PHE 0.163 0.046 8 0 "[ . 1]" 1 111 SER 1.685 0.179 1 0 "[ . 1]" 1 112 ASP 0.000 0.000 . 0 "[ . 1]" 1 113 CYS 0.430 0.046 10 0 "[ . 1]" 1 114 SER 0.001 0.001 7 0 "[ . 1]" 1 115 SER 0.000 0.000 . 0 "[ . 1]" 1 116 ALA 0.430 0.046 10 0 "[ . 1]" 1 117 LYS 0.001 0.001 7 0 "[ . 1]" 1 118 ALA 0.000 0.000 . 0 "[ . 1]" 1 119 ARG 0.000 0.000 . 0 "[ . 1]" 1 120 GLY 0.000 0.000 . 0 "[ . 1]" 1 122 LEU 0.000 0.000 . 0 "[ . 1]" 1 123 GLY 0.018 0.018 2 0 "[ . 1]" 1 125 PHE 0.000 0.000 . 0 "[ . 1]" 1 131 GLN 0.000 0.000 . 0 "[ . 1]" 1 132 LYS 0.000 0.000 . 0 "[ . 1]" 1 133 PRO 0.002 0.002 9 0 "[ . 1]" 1 134 PHE 0.000 0.000 . 0 "[ . 1]" 1 135 GLU 0.000 0.000 . 0 "[ . 1]" 1 136 ASP 0.000 0.000 . 0 "[ . 1]" 1 137 ALA 0.055 0.010 1 0 "[ . 1]" 1 138 SER 0.102 0.029 1 0 "[ . 1]" 1 139 PHE 0.000 0.000 . 0 "[ . 1]" 1 140 ALA 0.053 0.010 1 0 "[ . 1]" 1 141 LEU 0.102 0.029 1 0 "[ . 1]" 1 142 ARG 0.020 0.020 10 0 "[ . 1]" 1 144 GLY 0.011 0.006 7 0 "[ . 1]" 1 145 GLU 0.142 0.051 4 0 "[ . 1]" 1 147 SER 0.062 0.047 9 0 "[ . 1]" 1 152 THR 0.235 0.032 8 0 "[ . 1]" 1 153 ASP 0.189 0.031 4 0 "[ . 1]" 1 155 GLY 0.235 0.032 8 0 "[ . 1]" 1 156 ILE 0.145 0.034 5 0 "[ . 1]" 1 158 ILE 0.193 0.045 8 0 "[ . 1]" 1 159 ILE 0.062 0.047 9 0 "[ . 1]" 1 160 LEU 0.000 0.000 . 0 "[ . 1]" 1 161 ARG 0.133 0.051 4 0 "[ . 1]" 1 162 THR 0.000 0.000 . 0 "[ . 1]" 1 163 GLU 0.100 0.021 4 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 83 GLU O 1 87 GLU N 2.850 2.400 3.300 2.756 2.604 3.071 . 0 0 "[ . 1]" 2 2 1 83 GLU O 1 87 GLU H 1.800 . 2.300 1.920 1.798 2.294 . 0 0 "[ . 1]" 2 3 1 84 GLU O 1 88 LEU N 2.850 2.400 3.300 3.270 3.209 3.316 0.016 6 0 "[ . 1]" 2 4 1 84 GLU O 1 88 LEU H 2.850 2.400 3.300 2.409 2.383 2.445 0.017 6 0 "[ . 1]" 2 5 1 85 ALA O 1 89 ILE N 2.850 2.400 3.300 3.218 3.129 3.284 . 0 0 "[ . 1]" 2 6 1 85 ALA O 1 89 ILE H 1.800 . 2.300 2.258 2.159 2.312 0.012 3 0 "[ . 1]" 2 7 1 86 LEU O 1 90 ASN N 2.850 2.400 3.300 2.776 2.606 2.957 . 0 0 "[ . 1]" 2 8 1 86 LEU O 1 90 ASN H 1.800 . 2.300 1.834 1.657 1.983 . 0 0 "[ . 1]" 2 9 1 87 GLU O 1 91 GLY N 2.850 2.400 3.300 2.977 2.774 3.235 . 0 0 "[ . 1]" 2 10 1 87 GLU O 1 91 GLY H 1.800 . 2.300 2.061 1.894 2.303 0.003 10 0 "[ . 1]" 2 11 1 88 LEU O 1 92 TYR N 2.850 2.400 3.300 2.857 2.751 3.047 . 0 0 "[ . 1]" 2 12 1 88 LEU O 1 92 TYR H 1.800 . 2.300 1.994 1.840 2.125 . 0 0 "[ . 1]" 2 13 1 89 ILE O 1 93 ILE N 2.850 2.400 3.300 3.045 2.832 3.177 . 0 0 "[ . 1]" 2 14 1 89 ILE O 1 93 ILE H 1.800 . 2.300 2.172 1.927 2.277 . 0 0 "[ . 1]" 2 15 1 90 ASN O 1 94 GLN N 2.850 2.400 3.300 3.075 2.933 3.229 . 0 0 "[ . 1]" 2 16 1 90 ASN O 1 94 GLN H 1.800 . 2.300 2.155 1.993 2.309 0.009 8 0 "[ . 1]" 2 17 1 91 GLY O 1 95 LYS N 2.850 2.400 3.300 3.196 2.774 3.291 . 0 0 "[ . 1]" 2 18 1 91 GLY O 1 95 LYS H 1.800 . 2.300 2.237 1.849 2.319 0.019 1 0 "[ . 1]" 2 19 1 92 TYR O 1 96 ILE N 2.850 2.400 3.300 3.108 2.961 3.285 . 0 0 "[ . 1]" 2 20 1 92 TYR O 1 96 ILE H 1.800 . 2.300 2.168 2.014 2.327 0.027 6 0 "[ . 1]" 2 21 1 93 ILE O 1 97 LYS N 2.850 2.400 3.300 3.049 2.705 3.283 . 0 0 "[ . 1]" 2 22 1 93 ILE O 1 97 LYS H 1.800 . 2.300 2.102 1.756 2.305 0.005 10 0 "[ . 1]" 2 23 1 94 GLN O 1 98 SER N 2.850 2.400 3.300 2.693 2.548 2.947 . 0 0 "[ . 1]" 2 24 1 94 GLN O 1 98 SER H 1.800 . 2.300 1.988 1.825 2.217 . 0 0 "[ . 1]" 2 25 1 95 LYS O 1 99 GLY N 2.850 2.400 3.300 2.927 2.831 3.031 . 0 0 "[ . 1]" 2 26 1 95 LYS O 1 99 GLY H 1.800 . 2.300 2.278 2.174 2.319 0.019 2 0 "[ . 1]" 2 27 1 95 LYS O 1 98 SER N 2.850 2.400 3.300 3.046 3.005 3.089 . 0 0 "[ . 1]" 2 28 1 95 LYS O 1 98 SER H 1.800 . 2.300 2.362 2.343 2.375 0.075 6 0 "[ . 1]" 2 29 1 96 ILE O 1 99 GLY N 2.850 2.400 3.300 2.998 2.807 3.170 . 0 0 "[ . 1]" 2 30 1 96 ILE O 1 99 GLY H 1.800 . 2.300 2.154 1.978 2.306 0.006 2 0 "[ . 1]" 2 31 1 95 LYS O 1 100 GLU N 2.850 2.400 3.300 3.037 2.927 3.119 . 0 0 "[ . 1]" 2 32 1 95 LYS O 1 100 GLU H 1.800 . 2.300 2.217 2.080 2.316 0.016 4 0 "[ . 1]" 2 33 1 95 LYS O 1 101 GLU N 2.850 2.400 3.300 3.324 3.311 3.339 0.039 6 0 "[ . 1]" 2 34 1 95 LYS O 1 101 GLU H 1.800 . 2.300 2.347 2.336 2.358 0.058 10 0 "[ . 1]" 2 35 1 102 ASP O 1 106 LEU N 2.850 2.400 3.300 2.655 2.555 2.712 . 0 0 "[ . 1]" 2 36 1 102 ASP O 1 106 LEU H 1.800 . 2.300 1.718 1.674 1.761 . 0 0 "[ . 1]" 2 37 1 103 PHE O 1 107 ALA N 2.850 2.400 3.300 2.683 2.593 2.880 . 0 0 "[ . 1]" 2 38 1 103 PHE O 1 107 ALA H 1.800 . 2.300 1.801 1.655 2.024 . 0 0 "[ . 1]" 2 39 1 104 GLU O 1 108 SER N 2.850 2.400 3.300 3.261 3.203 3.316 0.016 8 0 "[ . 1]" 2 40 1 104 GLU O 1 108 SER H 1.800 . 2.300 2.309 2.269 2.337 0.037 8 0 "[ . 1]" 2 41 1 105 SER O 1 109 GLN N 2.850 2.400 3.300 3.275 3.190 3.305 0.005 9 0 "[ . 1]" 2 42 1 105 SER O 1 109 GLN H 1.800 . 2.300 2.303 2.243 2.333 0.033 9 0 "[ . 1]" 2 43 1 106 LEU O 1 109 GLN N 2.850 2.400 3.300 2.819 2.756 2.951 . 0 0 "[ . 1]" 2 44 1 106 LEU O 1 109 GLN H 1.800 . 2.300 2.384 2.354 2.458 0.158 1 0 "[ . 1]" 2 45 1 106 LEU O 1 110 PHE N 2.850 2.400 3.300 2.940 2.785 3.071 . 0 0 "[ . 1]" 2 46 1 106 LEU O 1 110 PHE H 1.800 . 2.300 2.276 2.122 2.346 0.046 8 0 "[ . 1]" 2 47 1 108 SER O 1 111 SER N 2.850 2.400 3.300 3.345 3.333 3.381 0.081 1 0 "[ . 1]" 2 48 1 108 SER O 1 111 SER H 1.800 . 2.300 2.424 2.402 2.479 0.179 1 0 "[ . 1]" 2 49 1 138 SER O 1 141 LEU N 2.850 2.400 3.300 3.197 3.068 3.243 . 0 0 "[ . 1]" 2 50 1 138 SER O 1 141 LEU H 1.800 . 2.300 2.310 2.306 2.329 0.029 1 0 "[ . 1]" 2 51 1 137 ALA O 1 140 ALA N 2.850 2.400 3.300 3.028 2.897 3.098 . 0 0 "[ . 1]" 2 52 1 137 ALA O 1 140 ALA H 1.800 . 2.300 2.283 2.129 2.310 0.010 1 0 "[ . 1]" 2 53 1 136 ASP O 1 140 ALA N 2.850 2.400 3.300 2.655 2.583 2.757 . 0 0 "[ . 1]" 2 54 1 136 ASP O 1 140 ALA H 1.800 . 2.300 2.086 2.008 2.144 . 0 0 "[ . 1]" 2 55 1 135 GLU O 1 139 PHE N 2.850 2.400 3.300 2.581 2.552 2.606 . 0 0 "[ . 1]" 2 56 1 135 GLU O 1 139 PHE H 1.800 . 2.300 1.627 1.595 1.656 . 0 0 "[ . 1]" 2 57 1 134 PHE O 1 138 SER N 2.850 2.400 3.300 2.734 2.616 2.939 . 0 0 "[ . 1]" 2 58 1 134 PHE O 1 138 SER H 1.800 . 2.300 1.774 1.668 1.988 . 0 0 "[ . 1]" 2 59 1 133 PRO O 1 137 ALA N 2.850 2.400 3.300 3.097 2.968 3.262 . 0 0 "[ . 1]" 2 60 1 133 PRO O 1 137 ALA H 1.800 . 2.300 2.147 2.034 2.302 0.002 9 0 "[ . 1]" 2 61 1 132 LYS O 1 136 ASP N 2.850 2.400 3.300 2.954 2.565 3.141 . 0 0 "[ . 1]" 2 62 1 132 LYS O 1 136 ASP H 1.800 . 2.300 1.993 1.607 2.211 . 0 0 "[ . 1]" 2 63 1 131 GLN O 1 135 GLU N 2.850 2.400 3.300 2.933 2.768 3.143 . 0 0 "[ . 1]" 2 64 1 131 GLN O 1 135 GLU H 1.800 . 2.300 1.970 1.804 2.172 . 0 0 "[ . 1]" 2 65 1 113 CYS O 1 116 ALA N 2.850 2.400 3.300 3.292 3.135 3.324 0.024 10 0 "[ . 1]" 2 66 1 113 CYS O 1 116 ALA H 1.800 . 2.300 2.328 2.249 2.346 0.046 10 0 "[ . 1]" 2 67 1 114 SER O 1 117 LYS N 2.850 2.400 3.300 3.183 3.132 3.227 . 0 0 "[ . 1]" 2 68 1 114 SER O 1 117 LYS H 1.800 . 2.300 2.241 2.183 2.301 0.001 7 0 "[ . 1]" 2 69 1 115 SER O 1 118 ALA N 2.850 2.400 3.300 2.584 2.528 2.697 . 0 0 "[ . 1]" 2 70 1 115 SER O 1 118 ALA H 1.800 . 2.300 1.689 1.614 1.827 . 0 0 "[ . 1]" 2 71 1 115 SER O 1 120 GLY N 2.850 2.400 3.300 3.039 2.925 3.211 . 0 0 "[ . 1]" 2 72 1 115 SER O 1 120 GLY H 1.800 . 2.300 2.082 1.959 2.264 . 0 0 "[ . 1]" 2 73 1 116 ALA O 1 119 ARG N 2.850 2.400 3.300 2.927 2.731 3.012 . 0 0 "[ . 1]" 2 74 1 116 ALA O 1 119 ARG H 1.800 . 2.300 1.980 1.825 2.065 . 0 0 "[ . 1]" 2 75 1 65 SER N 1 80 ARG O 2.850 2.400 3.300 2.818 2.568 3.216 . 0 0 "[ . 1]" 2 76 1 65 SER H 1 80 ARG O 1.800 . 2.300 1.971 1.664 2.302 0.002 1 0 "[ . 1]" 2 77 1 70 PRO O 1 78 ILE N 2.850 2.400 3.300 3.056 2.810 3.288 . 0 0 "[ . 1]" 2 78 1 70 PRO O 1 78 ILE H 1.800 . 2.300 2.108 1.879 2.313 0.013 4 0 "[ . 1]" 2 79 1 72 SER N 1 75 GLN O 2.850 2.400 3.300 2.706 2.555 3.238 . 0 0 "[ . 1]" 2 80 1 72 SER H 1 75 GLN O 1.800 . 2.300 1.745 1.617 2.303 0.003 7 0 "[ . 1]" 2 81 1 72 SER O 1 75 GLN N 2.850 2.400 3.300 2.955 2.865 3.088 . 0 0 "[ . 1]" 2 82 1 72 SER O 1 75 GLN H 1.800 . 2.300 2.306 2.258 2.324 0.024 5 0 "[ . 1]" 2 83 1 68 ARG N 1 153 ASP O 2.850 2.400 3.300 3.194 3.117 3.311 0.011 1 0 "[ . 1]" 2 84 1 68 ARG H 1 153 ASP O 1.800 . 2.300 2.312 2.246 2.331 0.031 4 0 "[ . 1]" 2 85 1 98 SER OG 1 100 GLU N 2.850 2.400 3.300 3.166 3.135 3.230 . 0 0 "[ . 1]" 2 86 1 98 SER OG 1 100 GLU H 1.800 . 2.300 2.301 2.255 2.314 0.014 10 0 "[ . 1]" 2 87 1 147 SER OG 1 159 ILE N 2.850 2.400 3.300 3.034 2.832 3.245 . 0 0 "[ . 1]" 2 88 1 147 SER OG 1 159 ILE H 1.800 . 2.300 2.196 1.956 2.347 0.047 9 0 "[ . 1]" 2 89 1 62 VAL O 1 156 ILE N 2.850 2.400 3.300 3.209 2.951 3.289 . 0 0 "[ . 1]" 2 90 1 62 VAL O 1 156 ILE H 1.800 . 2.300 2.269 2.019 2.334 0.034 5 0 "[ . 1]" 2 91 1 62 VAL N 1 156 ILE O 2.850 2.400 3.300 2.859 2.771 2.992 . 0 0 "[ . 1]" 2 92 1 62 VAL H 1 156 ILE O 1.800 . 2.300 1.963 1.833 2.183 . 0 0 "[ . 1]" 2 93 1 61 LEU O 1 112 ASP N 2.850 2.400 3.300 2.941 2.667 3.112 . 0 0 "[ . 1]" 2 94 1 61 LEU O 1 112 ASP H 1.800 . 2.300 2.002 1.768 2.149 . 0 0 "[ . 1]" 2 95 1 60 LEU O 1 158 ILE N 2.850 2.400 3.300 3.155 2.979 3.273 . 0 0 "[ . 1]" 2 96 1 60 LEU O 1 158 ILE H 1.800 . 2.300 2.299 2.160 2.345 0.045 8 0 "[ . 1]" 2 97 1 60 LEU N 1 158 ILE O 2.850 2.400 3.300 2.931 2.739 3.157 . 0 0 "[ . 1]" 2 98 1 60 LEU H 1 158 ILE O 1.800 . 2.300 2.095 1.914 2.311 0.011 2 0 "[ . 1]" 2 99 1 58 SER O 1 160 LEU N 2.850 2.400 3.300 2.724 2.574 2.867 . 0 0 "[ . 1]" 2 100 1 58 SER O 1 160 LEU H 1.800 . 2.300 1.919 1.778 2.085 . 0 0 "[ . 1]" 2 101 1 58 SER N 1 160 LEU O 2.850 2.400 3.300 2.943 2.782 3.238 . 0 0 "[ . 1]" 2 102 1 58 SER H 1 160 LEU O 1.800 . 2.300 1.998 1.855 2.284 . 0 0 "[ . 1]" 2 103 1 59 HIS N 1 120 GLY O 2.850 2.400 3.300 3.054 2.843 3.241 . 0 0 "[ . 1]" 2 104 1 59 HIS H 1 120 GLY O 1.800 . 2.300 2.127 1.940 2.296 . 0 0 "[ . 1]" 2 105 1 57 CYS O 1 122 LEU N 2.850 2.400 3.300 3.016 2.805 3.140 . 0 0 "[ . 1]" 2 106 1 57 CYS O 1 122 LEU H 1.800 . 2.300 2.143 1.929 2.274 . 0 0 "[ . 1]" 2 107 1 57 CYS N 1 123 GLY O 3.850 3.400 4.300 3.674 3.458 4.244 . 0 0 "[ . 1]" 2 108 1 57 CYS H 1 123 GLY O 2.800 2.400 3.300 2.772 2.544 3.318 0.018 2 0 "[ . 1]" 2 109 1 55 VAL O 1 125 PHE N 2.850 2.400 3.300 2.795 2.645 2.978 . 0 0 "[ . 1]" 2 110 1 55 VAL O 1 125 PHE H 1.800 . 2.300 1.873 1.699 2.088 . 0 0 "[ . 1]" 2 111 1 55 VAL N 1 125 PHE O 2.850 2.400 3.300 2.856 2.667 2.976 . 0 0 "[ . 1]" 2 112 1 55 VAL H 1 125 PHE O 1.800 . 2.300 2.062 1.822 2.250 . 0 0 "[ . 1]" 2 113 1 152 THR N 1 155 GLY O 2.850 2.400 3.300 2.578 2.524 2.657 . 0 0 "[ . 1]" 2 114 1 152 THR H 1 155 GLY O 1.800 . 2.300 1.619 1.552 1.696 . 0 0 "[ . 1]" 2 115 1 152 THR O 1 155 GLY N 2.850 2.400 3.300 2.684 2.556 2.796 . 0 0 "[ . 1]" 2 116 1 152 THR O 1 155 GLY H 1.800 . 2.300 2.324 2.312 2.332 0.032 8 0 "[ . 1]" 2 117 1 147 SER N 1 159 ILE O 2.850 2.400 3.300 2.624 2.566 2.765 . 0 0 "[ . 1]" 2 118 1 147 SER H 1 159 ILE O 1.800 . 2.300 1.693 1.648 1.832 . 0 0 "[ . 1]" 2 119 1 56 ARG O 1 163 GLU N 2.850 2.400 3.300 3.253 3.205 3.284 . 0 0 "[ . 1]" 2 120 1 56 ARG O 1 163 GLU H 1.800 . 2.300 2.310 2.301 2.321 0.021 4 0 "[ . 1]" 2 121 1 56 ARG O 1 162 THR N 2.850 2.400 3.300 2.769 2.662 2.908 . 0 0 "[ . 1]" 2 122 1 56 ARG O 1 162 THR H 1.800 . 2.300 1.826 1.726 1.968 . 0 0 "[ . 1]" 2 123 1 145 GLU O 1 161 ARG N 2.850 2.400 3.300 3.124 2.992 3.254 . 0 0 "[ . 1]" 2 124 1 145 GLU O 1 161 ARG H 1.800 . 2.300 2.279 2.124 2.351 0.051 4 0 "[ . 1]" 2 125 1 144 GLY N 1 161 ARG O 2.850 2.400 3.300 2.937 2.621 3.195 . 0 0 "[ . 1]" 2 126 1 144 GLY H 1 161 ARG O 1.800 . 2.300 2.076 1.654 2.306 0.006 7 0 "[ . 1]" 2 127 1 142 ARG O 1 145 GLU N 2.850 2.400 3.300 2.938 2.850 3.034 . 0 0 "[ . 1]" 2 128 1 142 ARG O 1 145 GLU H 1.800 . 2.300 2.110 1.907 2.320 0.020 10 0 "[ . 1]" 2 129 1 17 ARG O 1 19 SER N 2.850 2.400 3.300 2.708 2.528 2.957 . 0 0 "[ . 1]" 2 130 1 17 ARG O 1 19 SER H 1.800 . 2.300 2.330 2.107 2.377 0.077 7 0 "[ . 1]" 2 131 1 16 SER N 1 21 ARG O 2.850 2.400 3.300 2.938 2.606 3.252 . 0 0 "[ . 1]" 2 132 1 16 SER H 1 21 ARG O 1.800 . 2.300 2.065 1.647 2.362 0.062 5 0 "[ . 1]" 2 133 1 14 ARG N 1 23 TYR O 2.850 2.400 3.300 3.157 3.062 3.225 . 0 0 "[ . 1]" 2 134 1 14 ARG H 1 23 TYR O 1.800 . 2.300 2.300 2.180 2.330 0.030 8 0 "[ . 1]" 2 135 1 14 ARG O 1 23 TYR N 2.850 2.400 3.300 2.860 2.625 3.218 . 0 0 "[ . 1]" 2 136 1 14 ARG O 1 23 TYR H 1.800 . 2.300 1.975 1.672 2.303 0.003 8 0 "[ . 1]" 2 137 1 24 TYR N 1 33 GLN O 2.850 2.400 3.300 2.967 2.781 3.148 . 0 0 "[ . 1]" 2 138 1 24 TYR H 1 33 GLN O 1.800 . 2.300 2.110 1.918 2.310 0.010 9 0 "[ . 1]" 2 139 1 24 TYR O 1 33 GLN N 2.850 2.400 3.300 2.948 2.786 3.159 . 0 0 "[ . 1]" 2 140 1 24 TYR O 1 33 GLN H 1.800 . 2.300 2.000 1.814 2.211 . 0 0 "[ . 1]" 2 141 1 12 GLU O 1 25 PHE N 2.850 2.400 3.300 2.938 2.652 3.152 . 0 0 "[ . 1]" 2 142 1 12 GLU O 1 25 PHE H 1.800 . 2.300 2.010 1.726 2.233 . 0 0 "[ . 1]" 2 143 1 12 GLU N 1 25 PHE O 2.850 2.400 3.300 2.717 2.596 2.957 . 0 0 "[ . 1]" 2 144 1 12 GLU H 1 25 PHE O 1.800 . 2.300 1.854 1.701 2.011 . 0 0 "[ . 1]" 2 145 1 26 ASN N 1 31 ALA O 2.850 2.400 3.300 2.831 2.734 3.027 . 0 0 "[ . 1]" 2 146 1 26 ASN H 1 31 ALA O 1.800 . 2.300 1.905 1.784 2.140 . 0 0 "[ . 1]" 2 147 1 26 ASN O 1 30 ASN N 2.850 2.400 3.300 2.534 2.438 2.590 . 0 0 "[ . 1]" 2 148 1 26 ASN O 1 30 ASN H 1.800 . 2.300 2.044 1.927 2.146 . 0 0 "[ . 1]" 2 149 1 10 GLY O 1 27 HIS N 2.850 2.400 3.300 2.985 2.816 3.275 . 0 0 "[ . 1]" 2 150 1 10 GLY O 1 27 HIS H 1.800 . 2.300 2.046 1.866 2.313 0.013 9 0 "[ . 1]" 2 151 1 8 PRO O 1 11 TRP N 2.850 2.400 3.300 3.095 2.939 3.219 . 0 0 "[ . 1]" 2 152 1 8 PRO O 1 11 TRP H 1.800 . 2.300 2.206 2.017 2.319 0.019 6 0 "[ . 1]" 2 153 1 26 ASN OD1 1 29 THR N 2.850 2.400 3.300 2.886 2.531 3.226 . 0 0 "[ . 1]" 2 154 1 26 ASN OD1 1 29 THR H 1.800 . 2.300 1.989 1.641 2.333 0.033 9 0 "[ . 1]" 2 155 1 26 ASN OD1 1 28 ILE N 2.850 2.400 3.300 2.570 2.446 2.709 . 0 0 "[ . 1]" 2 156 1 26 ASN OD1 1 28 ILE H 1.800 . 2.300 2.068 1.743 2.328 0.028 3 0 "[ . 1]" 2 stop_ save_
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