NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
582508 | 2mhm | 19638 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhm 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 1169 _Distance_constraint_stats_list.Viol_count 2129 _Distance_constraint_stats_list.Viol_total 2898.469 _Distance_constraint_stats_list.Viol_max 1.299 _Distance_constraint_stats_list.Viol_rms 0.0425 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0062 _Distance_constraint_stats_list.Viol_average_violations_only 0.0681 _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 1 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 GLU 0.439 0.361 20 0 "[ . 1 . 2]" 1 3 PHE 27.166 1.299 3 20 [**+*******-*********] 1 4 LYS 1.185 0.119 3 0 "[ . 1 . 2]" 1 6 GLY 0.076 0.071 11 0 "[ . 1 . 2]" 1 7 SER 0.251 0.108 11 0 "[ . 1 . 2]" 1 8 ALA 1.317 0.129 17 0 "[ . 1 . 2]" 1 9 LYS 0.406 0.060 10 0 "[ . 1 . 2]" 1 10 LYS 0.350 0.095 19 0 "[ . 1 . 2]" 1 11 GLY 2.964 0.223 17 0 "[ . 1 . 2]" 1 12 ALA 1.688 0.080 12 0 "[ . 1 . 2]" 1 13 THR 6.517 0.242 5 0 "[ . 1 . 2]" 1 14 LEU 2.550 0.104 2 0 "[ . 1 . 2]" 1 15 PHE 2.585 0.116 17 0 "[ . 1 . 2]" 1 16 LYS 3.400 0.136 17 0 "[ . 1 . 2]" 1 17 THR 0.932 0.059 2 0 "[ . 1 . 2]" 1 18 ARG 2.400 0.104 2 0 "[ . 1 . 2]" 1 19 CYS 2.201 0.083 8 0 "[ . 1 . 2]" 1 20 LEU 3.872 0.116 17 0 "[ . 1 . 2]" 1 21 GLN 0.467 0.054 8 0 "[ . 1 . 2]" 1 22 CYS 0.547 0.057 4 0 "[ . 1 . 2]" 1 23 HIS 2.269 0.122 5 0 "[ . 1 . 2]" 1 24 THR 0.805 0.099 12 0 "[ . 1 . 2]" 1 25 VAL 0.998 0.081 8 0 "[ . 1 . 2]" 1 26 GLU 0.085 0.023 11 0 "[ . 1 . 2]" 1 27 LYS 0.838 0.146 19 0 "[ . 1 . 2]" 1 28 GLY 0.941 0.146 19 0 "[ . 1 . 2]" 1 29 GLY 0.572 0.052 18 0 "[ . 1 . 2]" 1 30 PRO 2.002 0.132 1 0 "[ . 1 . 2]" 1 31 HIS 3.845 0.132 1 0 "[ . 1 . 2]" 1 32 LYS 1.243 0.115 8 0 "[ . 1 . 2]" 1 33 VAL 0.202 0.085 12 0 "[ . 1 . 2]" 1 34 GLY 0.143 0.057 4 0 "[ . 1 . 2]" 1 35 PRO 0.450 0.155 5 0 "[ . 1 . 2]" 1 36 ASN 3.252 0.155 5 0 "[ . 1 . 2]" 1 37 LEU 0.606 0.092 17 0 "[ . 1 . 2]" 1 38 HIS 1.182 0.091 4 0 "[ . 1 . 2]" 1 39 GLY 0.029 0.029 9 0 "[ . 1 . 2]" 1 40 ILE 0.545 0.092 17 0 "[ . 1 . 2]" 1 41 PHE 3.830 0.097 13 0 "[ . 1 . 2]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ARG 1.524 0.092 16 0 "[ . 1 . 2]" 1 44 HIS 1.652 0.087 12 0 "[ . 1 . 2]" 1 45 SER 0.190 0.043 9 0 "[ . 1 . 2]" 1 46 GLY 2.117 0.091 12 0 "[ . 1 . 2]" 1 47 GLN 1.000 0.154 17 0 "[ . 1 . 2]" 1 48 ALA 1.650 0.205 2 0 "[ . 1 . 2]" 1 49 GLU 1.678 0.205 2 0 "[ . 1 . 2]" 1 50 GLY 0.000 0.000 19 0 "[ . 1 . 2]" 1 51 TYR 1.845 0.111 8 0 "[ . 1 . 2]" 1 53 TYR 0.360 0.111 16 0 "[ . 1 . 2]" 1 54 THR 0.150 0.033 20 0 "[ . 1 . 2]" 1 55 ASP 2.412 0.121 16 0 "[ . 1 . 2]" 1 56 ALA 0.081 0.031 18 0 "[ . 1 . 2]" 1 57 ASN 5.308 0.132 12 0 "[ . 1 . 2]" 1 58 ILE 6.033 0.252 12 0 "[ . 1 . 2]" 1 59 LYS 0.087 0.069 20 0 "[ . 1 . 2]" 1 60 LYS 1.704 0.202 13 0 "[ . 1 . 2]" 1 61 ASN 0.091 0.022 16 0 "[ . 1 . 2]" 1 62 VAL 1.526 0.110 16 0 "[ . 1 . 2]" 1 63 LEU 2.324 0.197 19 0 "[ . 1 . 2]" 1 64 TRP 4.800 0.190 17 0 "[ . 1 . 2]" 1 65 ASP 2.124 0.197 19 0 "[ . 1 . 2]" 1 66 GLU 0.449 0.117 13 0 "[ . 1 . 2]" 1 67 ASN 1.601 0.096 1 0 "[ . 1 . 2]" 1 68 ASN 3.109 0.117 13 0 "[ . 1 . 2]" 1 69 MET 6.747 0.190 17 0 "[ . 1 . 2]" 1 70 SER 1.883 0.107 4 0 "[ . 1 . 2]" 1 71 GLU 1.353 0.104 14 0 "[ . 1 . 2]" 1 72 HIS 4.696 0.136 4 0 "[ . 1 . 2]" 1 73 LEU 6.119 0.154 11 0 "[ . 1 . 2]" 1 74 THR 1.461 0.076 15 0 "[ . 1 . 2]" 1 75 ASN 3.159 0.151 6 0 "[ . 1 . 2]" 1 76 PRO 2.486 0.154 11 0 "[ . 1 . 2]" 1 77 ALA 0.083 0.083 18 0 "[ . 1 . 2]" 1 78 LYS 0.518 0.091 17 0 "[ . 1 . 2]" 1 79 TYR 6.301 0.136 4 0 "[ . 1 . 2]" 1 80 ILE 2.722 0.202 13 0 "[ . 1 . 2]" 1 81 PRO 1.775 0.155 19 0 "[ . 1 . 2]" 1 82 GLY 1.229 0.080 18 0 "[ . 1 . 2]" 1 83 THR 1.139 0.097 15 0 "[ . 1 . 2]" 1 84 LYS 1.101 0.151 13 0 "[ . 1 . 2]" 1 85 MET 0.022 0.022 15 0 "[ . 1 . 2]" 1 86 ALA 2.055 0.195 17 0 "[ . 1 . 2]" 1 87 PHE 4.530 0.195 17 0 "[ . 1 . 2]" 1 88 GLY 0.266 0.048 8 0 "[ . 1 . 2]" 1 89 GLY 0.954 0.096 7 0 "[ . 1 . 2]" 1 90 LEU 0.472 0.091 20 0 "[ . 1 . 2]" 1 91 LYS 1.160 0.189 17 0 "[ . 1 . 2]" 1 92 LYS 2.933 0.189 17 0 "[ . 1 . 2]" 1 93 GLU 1.685 0.120 18 0 "[ . 1 . 2]" 1 94 LYS 0.518 0.152 17 0 "[ . 1 . 2]" 1 95 ASP 2.787 0.152 17 0 "[ . 1 . 2]" 1 96 ARG 1.019 0.130 11 0 "[ . 1 . 2]" 1 97 ASN 4.587 1.030 20 3 "[ . 1 .- * +]" 1 98 ASP 4.877 0.223 17 0 "[ . 1 . 2]" 1 99 LEU 2.501 0.090 3 0 "[ . 1 . 2]" 1 100 ILE 4.065 0.143 9 0 "[ . 1 . 2]" 1 101 THR 2.578 0.209 20 0 "[ . 1 . 2]" 1 102 TYR 0.510 0.073 8 0 "[ . 1 . 2]" 1 103 LEU 5.438 0.147 15 0 "[ . 1 . 2]" 1 104 LYS 6.216 0.209 20 0 "[ . 1 . 2]" 1 105 LYS 3.654 0.167 8 0 "[ . 1 . 2]" 1 106 ALA 3.458 0.200 4 0 "[ . 1 . 2]" 1 107 THR 0.221 0.200 4 0 "[ . 1 . 2]" 1 108 GLU 0.389 0.079 4 0 "[ . 1 . 2]" 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 1 THR HB 1 2 GLU H 1.800 . 5.000 3.348 1.853 4.678 . 0 0 "[ . 1 . 2]" 1 2 1 1 THR HG1 1 2 GLU H 1.800 . 5.000 3.220 2.026 4.074 . 0 0 "[ . 1 . 2]" 1 3 1 2 GLU H 1 2 GLU QB 1.800 . 2.900 2.494 2.270 3.261 0.361 20 0 "[ . 1 . 2]" 1 4 1 2 GLU QB 1 3 PHE H 1.800 . 5.000 2.827 1.775 3.637 0.025 20 0 "[ . 1 . 2]" 1 5 1 3 PHE H 1 3 PHE QD 1.800 . 5.300 4.061 2.421 4.264 . 0 0 "[ . 1 . 2]" 1 6 1 3 PHE H 1 3 PHE QE 1.800 . 5.000 6.041 3.871 6.299 1.299 3 18 "[**+******* ** *-****]" 1 7 1 3 PHE H 1 4 LYS H 1.800 . 5.000 4.499 4.480 4.536 . 0 0 "[ . 1 . 2]" 1 8 1 3 PHE HA 1 3 PHE QD 1.800 . 5.000 2.908 2.630 3.707 . 0 0 "[ . 1 . 2]" 1 9 1 3 PHE HA 1 3 PHE QE 1.800 . 5.000 4.668 4.512 5.618 0.618 14 2 "[ . 1- +. 2]" 1 10 1 3 PHE HA 1 4 LYS H 1.800 . 5.000 2.229 2.193 2.492 . 0 0 "[ . 1 . 2]" 1 11 1 3 PHE QB 1 97 ASN QD 1.800 . 5.000 4.573 2.443 6.030 1.030 20 3 "[ . 1 .- * +]" 1 12 1 3 PHE QD 1 4 LYS H 1.800 . 5.000 3.465 3.130 3.570 . 0 0 "[ . 1 . 2]" 1 13 1 4 LYS H 1 4 LYS HA 1.800 . 2.900 2.945 2.785 2.989 0.089 9 0 "[ . 1 . 2]" 1 14 1 4 LYS H 1 4 LYS QB 1.800 . 2.900 2.457 2.271 3.019 0.119 3 0 "[ . 1 . 2]" 1 15 1 6 GLY H 1 7 SER H 1.800 . 5.000 4.247 3.001 4.674 . 0 0 "[ . 1 . 2]" 1 16 1 6 GLY H 1 101 THR MG 1.800 . 5.000 3.884 1.795 5.071 0.071 11 0 "[ . 1 . 2]" 1 17 1 6 GLY QA 1 97 ASN QB 1.800 . 6.000 3.099 2.105 3.978 . 0 0 "[ . 1 . 2]" 1 18 1 6 GLY QA 1 101 THR MG 1.800 . 5.000 3.365 2.090 4.423 . 0 0 "[ . 1 . 2]" 1 19 1 6 GLY HA2 1 7 SER H 1.800 . 5.000 2.317 2.192 2.654 . 0 0 "[ . 1 . 2]" 1 20 1 6 GLY HA3 1 7 SER H 1.800 . 5.000 3.142 2.567 3.551 . 0 0 "[ . 1 . 2]" 1 21 1 7 SER H 1 8 ALA H 1.800 . 6.000 3.697 2.529 4.685 . 0 0 "[ . 1 . 2]" 1 22 1 7 SER H 1 8 ALA HA 1.800 . 6.000 5.096 4.470 5.559 . 0 0 "[ . 1 . 2]" 1 23 1 7 SER H 1 98 ASP H 1.800 . 6.000 4.972 4.059 5.888 . 0 0 "[ . 1 . 2]" 1 24 1 7 SER H 1 98 ASP HA 1.800 . 5.300 3.788 2.386 4.655 . 0 0 "[ . 1 . 2]" 1 25 1 7 SER H 1 98 ASP HB3 1.800 . 5.000 4.628 3.445 5.108 0.108 11 0 "[ . 1 . 2]" 1 26 1 7 SER QB 1 8 ALA H 1.800 . 5.000 3.188 2.532 4.061 . 0 0 "[ . 1 . 2]" 1 27 1 8 ALA H 1 8 ALA MB 1.800 . 2.900 2.518 2.073 2.969 0.069 6 0 "[ . 1 . 2]" 1 28 1 8 ALA H 1 98 ASP QB 1.800 . 5.000 3.997 2.159 5.129 0.129 17 0 "[ . 1 . 2]" 1 29 1 8 ALA HA 1 9 LYS H 1.800 . 3.500 3.219 2.167 3.560 0.060 10 0 "[ . 1 . 2]" 1 30 1 8 ALA HA 1 10 LYS H 1.800 . 5.000 4.505 3.967 5.095 0.095 19 0 "[ . 1 . 2]" 1 31 1 8 ALA HA 1 11 GLY H 1.800 . 6.000 3.793 3.209 5.904 . 0 0 "[ . 1 . 2]" 1 32 1 8 ALA HA 1 101 THR HB 1.800 . 6.800 3.457 2.288 6.828 0.028 11 0 "[ . 1 . 2]" 1 33 1 8 ALA HA 1 101 THR MG 1.800 . 6.000 3.856 3.051 6.049 0.049 11 0 "[ . 1 . 2]" 1 34 1 8 ALA HA 1 102 TYR QB 1.800 . 6.800 4.051 3.026 6.873 0.073 8 0 "[ . 1 . 2]" 1 35 1 8 ALA MB 1 9 LYS H 1.800 . 3.500 2.627 1.761 3.532 0.039 2 0 "[ . 1 . 2]" 1 36 1 9 LYS H 1 9 LYS HB2 1.800 . 3.500 2.665 2.448 3.524 0.024 19 0 "[ . 1 . 2]" 1 37 1 9 LYS H 1 10 LYS H 1.800 . 5.000 3.097 2.585 4.318 . 0 0 "[ . 1 . 2]" 1 38 1 9 LYS HA 1 10 LYS H 1.800 . 5.000 3.534 3.237 3.598 . 0 0 "[ . 1 . 2]" 1 39 1 9 LYS HA 1 11 GLY H 1.800 . 6.000 4.663 3.797 5.103 . 0 0 "[ . 1 . 2]" 1 40 1 9 LYS HA 1 12 ALA MB 1.800 . 6.000 2.701 2.331 3.301 . 0 0 "[ . 1 . 2]" 1 41 1 9 LYS HB2 1 10 LYS H 1.800 . 5.000 3.381 2.340 4.051 . 0 0 "[ . 1 . 2]" 1 42 1 9 LYS HB3 1 10 LYS H 1.800 . 5.000 2.645 1.745 4.352 0.055 19 0 "[ . 1 . 2]" 1 43 1 10 LYS H 1 10 LYS QB 1.800 . 3.500 2.440 2.275 2.569 . 0 0 "[ . 1 . 2]" 1 44 1 10 LYS H 1 10 LYS QD 1.800 . 5.000 3.868 3.188 4.431 . 0 0 "[ . 1 . 2]" 1 45 1 10 LYS H 1 11 GLY H 1.800 . 3.500 2.748 2.610 3.030 . 0 0 "[ . 1 . 2]" 1 46 1 10 LYS HA 1 11 GLY H 1.800 . 5.000 3.568 3.536 3.598 . 0 0 "[ . 1 . 2]" 1 47 1 10 LYS HA 1 13 THR H 1.800 . 5.000 3.650 3.479 3.863 . 0 0 "[ . 1 . 2]" 1 48 1 11 GLY H 1 12 ALA H 1.800 . 3.500 2.666 2.588 2.760 . 0 0 "[ . 1 . 2]" 1 49 1 11 GLY H 1 13 THR H 1.800 . 5.000 4.476 4.278 4.603 . 0 0 "[ . 1 . 2]" 1 50 1 11 GLY H 1 14 LEU H 1.800 . 5.000 4.763 4.531 5.016 0.016 5 0 "[ . 1 . 2]" 1 51 1 11 GLY H 1 98 ASP H 1.800 . 5.000 5.100 5.000 5.223 0.223 17 0 "[ . 1 . 2]" 1 52 1 11 GLY H 1 98 ASP QB 1.800 . 2.900 1.872 1.708 2.454 0.092 7 0 "[ . 1 . 2]" 1 53 1 11 GLY QA 1 13 THR H 1.800 . 5.000 4.128 3.942 4.349 . 0 0 "[ . 1 . 2]" 1 54 1 11 GLY QA 1 14 LEU H 1.800 . 5.000 3.183 2.956 3.424 . 0 0 "[ . 1 . 2]" 1 55 1 11 GLY QA 1 14 LEU MD1 1.800 . 5.000 4.322 4.079 4.627 . 0 0 "[ . 1 . 2]" 1 56 1 11 GLY QA 1 14 LEU MD2 1.800 . 5.000 3.294 2.870 4.297 . 0 0 "[ . 1 . 2]" 1 57 1 11 GLY QA 1 15 PHE H 1.800 . 5.000 3.725 3.352 4.107 . 0 0 "[ . 1 . 2]" 1 58 1 11 GLY QA 1 99 LEU HA 1.800 . 5.000 2.299 2.133 2.768 . 0 0 "[ . 1 . 2]" 1 59 1 11 GLY QA 1 99 LEU MD1 1.800 . 5.000 2.982 2.473 4.108 . 0 0 "[ . 1 . 2]" 1 60 1 11 GLY HA2 1 12 ALA H 1.800 . 5.000 3.529 3.503 3.560 . 0 0 "[ . 1 . 2]" 1 61 1 11 GLY HA2 1 99 LEU MD2 1.800 . 5.300 4.848 4.470 5.285 . 0 0 "[ . 1 . 2]" 1 62 1 11 GLY HA3 1 12 ALA H 1.800 . 5.000 2.937 2.865 2.996 . 0 0 "[ . 1 . 2]" 1 63 1 11 GLY HA3 1 99 LEU MD2 1.800 . 5.300 5.239 4.876 5.373 0.073 17 0 "[ . 1 . 2]" 1 64 1 12 ALA H 1 12 ALA HA 1.800 . 2.900 2.839 2.824 2.859 . 0 0 "[ . 1 . 2]" 1 65 1 12 ALA H 1 12 ALA MB 1.800 . 2.900 2.197 2.057 2.254 . 0 0 "[ . 1 . 2]" 1 66 1 12 ALA H 1 13 THR H 1.800 . 2.900 2.799 2.747 2.844 . 0 0 "[ . 1 . 2]" 1 67 1 12 ALA H 1 13 THR HA 1.800 . 6.000 5.423 5.385 5.458 . 0 0 "[ . 1 . 2]" 1 68 1 12 ALA H 1 102 TYR HA 1.800 . 6.000 5.559 5.279 5.972 . 0 0 "[ . 1 . 2]" 1 69 1 12 ALA H 1 102 TYR HB2 1.800 . 5.000 3.548 3.214 3.805 . 0 0 "[ . 1 . 2]" 1 70 1 12 ALA H 1 102 TYR HB3 1.800 . 5.000 4.936 4.332 5.047 0.047 15 0 "[ . 1 . 2]" 1 71 1 12 ALA HA 1 13 THR H 1.800 . 3.500 3.569 3.549 3.580 0.080 12 0 "[ . 1 . 2]" 1 72 1 12 ALA HA 1 14 LEU H 1.800 . 5.000 4.499 4.353 4.642 . 0 0 "[ . 1 . 2]" 1 73 1 12 ALA HA 1 15 PHE H 1.800 . 5.000 3.672 3.366 3.846 . 0 0 "[ . 1 . 2]" 1 74 1 12 ALA HA 1 15 PHE HB2 1.800 . 5.000 3.615 3.133 4.140 . 0 0 "[ . 1 . 2]" 1 75 1 12 ALA HA 1 15 PHE HB3 1.800 . 5.000 3.172 2.936 3.550 . 0 0 "[ . 1 . 2]" 1 76 1 12 ALA HA 1 16 LYS H 1.800 . 5.000 4.317 3.950 4.645 . 0 0 "[ . 1 . 2]" 1 77 1 12 ALA MB 1 13 THR H 1.800 . 2.900 2.440 2.304 2.590 . 0 0 "[ . 1 . 2]" 1 78 1 12 ALA MB 1 13 THR HA 1.800 . 5.000 3.804 3.728 3.857 . 0 0 "[ . 1 . 2]" 1 79 1 13 THR H 1 13 THR HA 1.800 . 2.900 2.892 2.848 2.907 0.007 6 0 "[ . 1 . 2]" 1 80 1 13 THR H 1 13 THR HB 1.800 . 3.500 3.520 2.646 3.619 0.119 6 0 "[ . 1 . 2]" 1 81 1 13 THR H 1 13 THR MG 1.800 . 3.500 2.285 1.971 3.742 0.242 5 0 "[ . 1 . 2]" 1 82 1 13 THR H 1 14 LEU H 1.800 . 2.900 2.553 2.487 2.688 . 0 0 "[ . 1 . 2]" 1 83 1 13 THR H 1 15 PHE H 1.800 . 5.000 4.106 4.011 4.449 . 0 0 "[ . 1 . 2]" 1 84 1 13 THR H 1 16 LYS QB 1.800 . 5.000 4.754 4.379 4.902 . 0 0 "[ . 1 . 2]" 1 85 1 13 THR H 1 17 THR MG 1.800 . 5.300 5.146 4.973 5.340 0.040 2 0 "[ . 1 . 2]" 1 86 1 13 THR HA 1 13 THR MG 1.800 . 2.900 2.364 2.213 2.443 . 0 0 "[ . 1 . 2]" 1 87 1 13 THR HA 1 14 LEU H 1.800 . 5.000 3.553 3.530 3.566 . 0 0 "[ . 1 . 2]" 1 88 1 13 THR HA 1 15 PHE H 1.800 . 5.000 4.252 4.150 4.721 . 0 0 "[ . 1 . 2]" 1 89 1 13 THR HA 1 16 LYS H 1.800 . 5.000 3.150 3.075 3.365 . 0 0 "[ . 1 . 2]" 1 90 1 13 THR HA 1 16 LYS HB2 1.800 . 2.900 3.019 2.973 3.036 0.136 17 0 "[ . 1 . 2]" 1 91 1 13 THR HA 1 16 LYS HB3 1.800 . 2.900 2.544 2.260 2.655 . 0 0 "[ . 1 . 2]" 1 92 1 13 THR HB 1 14 LEU H 1.800 . 5.000 3.701 2.550 3.906 . 0 0 "[ . 1 . 2]" 1 93 1 13 THR HB 1 17 THR MG 1.800 . 3.500 3.026 2.680 3.546 0.046 5 0 "[ . 1 . 2]" 1 94 1 13 THR MG 1 14 LEU H 1.800 . 5.000 3.769 3.669 3.828 . 0 0 "[ . 1 . 2]" 1 95 1 13 THR MG 1 16 LYS H 1.800 . 5.000 4.909 4.288 5.044 0.044 2 0 "[ . 1 . 2]" 1 96 1 14 LEU H 1 14 LEU QB 1.800 . 2.900 2.254 2.173 2.279 . 0 0 "[ . 1 . 2]" 1 97 1 14 LEU H 1 14 LEU MD1 1.800 . 5.000 4.010 3.903 4.191 . 0 0 "[ . 1 . 2]" 1 98 1 14 LEU H 1 14 LEU MD2 1.800 . 5.000 4.086 1.966 4.342 . 0 0 "[ . 1 . 2]" 1 99 1 14 LEU H 1 14 LEU HG 1.800 . 5.000 4.447 3.818 4.628 . 0 0 "[ . 1 . 2]" 1 100 1 14 LEU H 1 15 PHE H 1.800 . 3.500 2.675 2.610 2.859 . 0 0 "[ . 1 . 2]" 1 101 1 14 LEU H 1 16 LYS H 1.800 . 5.000 4.142 3.993 4.200 . 0 0 "[ . 1 . 2]" 1 102 1 14 LEU H 1 99 LEU HA 1.800 . 6.000 5.531 5.167 5.910 . 0 0 "[ . 1 . 2]" 1 103 1 14 LEU H 1 99 LEU MD1 1.800 . 5.000 4.323 4.030 5.031 0.031 10 0 "[ . 1 . 2]" 1 104 1 14 LEU H 1 99 LEU MD2 1.800 . 6.300 6.043 5.511 6.337 0.037 2 0 "[ . 1 . 2]" 1 105 1 14 LEU HA 1 14 LEU MD1 1.800 . 3.500 2.260 2.192 2.538 . 0 0 "[ . 1 . 2]" 1 106 1 14 LEU HA 1 14 LEU MD2 1.800 . 5.000 3.497 2.093 3.854 . 0 0 "[ . 1 . 2]" 1 107 1 14 LEU HA 1 15 PHE H 1.800 . 3.500 3.533 3.525 3.561 0.061 2 0 "[ . 1 . 2]" 1 108 1 14 LEU HA 1 16 LYS H 1.800 . 5.000 4.550 4.491 4.683 . 0 0 "[ . 1 . 2]" 1 109 1 14 LEU HA 1 17 THR H 1.800 . 5.000 3.427 3.294 3.665 . 0 0 "[ . 1 . 2]" 1 110 1 14 LEU HA 1 18 ARG QB 1.800 . 5.300 4.820 3.554 5.077 . 0 0 "[ . 1 . 2]" 1 111 1 14 LEU QB 1 14 LEU MD1 1.800 . 3.500 2.180 2.112 2.343 . 0 0 "[ . 1 . 2]" 1 112 1 14 LEU QB 1 14 LEU MD2 1.800 . 3.500 2.110 2.053 2.398 . 0 0 "[ . 1 . 2]" 1 113 1 14 LEU QB 1 15 PHE H 1.800 . 2.900 2.481 2.365 2.527 . 0 0 "[ . 1 . 2]" 1 114 1 14 LEU QB 1 99 LEU MD1 1.800 . 5.000 2.357 2.184 2.704 . 0 0 "[ . 1 . 2]" 1 115 1 14 LEU QB 1 99 LEU MD2 1.800 . 5.000 3.747 3.027 4.323 . 0 0 "[ . 1 . 2]" 1 116 1 14 LEU QD 1 18 ARG HB2 1.800 . 5.000 3.779 2.869 4.171 . 0 0 "[ . 1 . 2]" 1 117 1 14 LEU QD 1 95 ASP HB3 1.800 . 5.000 3.144 2.595 3.933 . 0 0 "[ . 1 . 2]" 1 118 1 14 LEU MD1 1 15 PHE H 1.800 . 5.000 4.523 3.527 4.783 . 0 0 "[ . 1 . 2]" 1 119 1 14 LEU MD1 1 18 ARG HB3 1.800 . 6.000 5.350 4.171 6.005 0.005 5 0 "[ . 1 . 2]" 1 120 1 14 LEU MD1 1 95 ASP HB2 1.800 . 5.000 4.764 3.402 5.087 0.087 10 0 "[ . 1 . 2]" 1 121 1 14 LEU MD1 1 99 LEU H 1.800 . 6.000 6.019 5.796 6.084 0.084 19 0 "[ . 1 . 2]" 1 122 1 14 LEU MD1 1 99 LEU MD1 1.800 . 5.000 4.040 2.027 4.561 . 0 0 "[ . 1 . 2]" 1 123 1 14 LEU MD2 1 15 PHE H 1.800 . 5.000 4.082 3.702 4.631 . 0 0 "[ . 1 . 2]" 1 124 1 14 LEU MD2 1 18 ARG HB3 1.800 . 6.000 6.030 6.004 6.104 0.104 2 0 "[ . 1 . 2]" 1 125 1 14 LEU MD2 1 95 ASP HB2 1.800 . 5.000 4.296 2.862 5.013 0.013 2 0 "[ . 1 . 2]" 1 126 1 14 LEU MD2 1 99 LEU H 1.800 . 6.000 4.391 3.632 6.067 0.067 8 0 "[ . 1 . 2]" 1 127 1 14 LEU MD2 1 99 LEU MD1 1.800 . 5.000 2.722 2.077 4.615 . 0 0 "[ . 1 . 2]" 1 128 1 14 LEU HG 1 15 PHE H 1.800 . 5.000 4.132 3.842 4.907 . 0 0 "[ . 1 . 2]" 1 129 1 14 LEU HG 1 99 LEU MD1 1.800 . 5.000 3.548 2.599 4.063 . 0 0 "[ . 1 . 2]" 1 130 1 14 LEU HG 1 99 LEU QD 1.800 . 6.000 3.188 2.593 3.791 . 0 0 "[ . 1 . 2]" 1 131 1 14 LEU HG 1 99 LEU MD2 1.800 . 6.000 3.798 3.267 6.005 0.005 2 0 "[ . 1 . 2]" 1 132 1 15 PHE H 1 15 PHE HB2 1.800 . 3.500 2.472 2.447 2.552 . 0 0 "[ . 1 . 2]" 1 133 1 15 PHE H 1 15 PHE HB3 1.800 . 3.500 2.580 2.509 2.645 . 0 0 "[ . 1 . 2]" 1 134 1 15 PHE H 1 16 LYS H 1.800 . 2.900 2.656 2.599 2.680 . 0 0 "[ . 1 . 2]" 1 135 1 15 PHE H 1 17 THR H 1.800 . 5.000 4.018 3.932 4.239 . 0 0 "[ . 1 . 2]" 1 136 1 15 PHE H 1 18 ARG H 1.800 . 5.000 4.805 4.729 4.840 . 0 0 "[ . 1 . 2]" 1 137 1 15 PHE H 1 99 LEU MD1 1.800 . 5.000 2.853 2.596 3.843 . 0 0 "[ . 1 . 2]" 1 138 1 15 PHE H 1 99 LEU MD2 1.800 . 5.000 4.659 4.271 4.918 . 0 0 "[ . 1 . 2]" 1 139 1 15 PHE HA 1 15 PHE QD 1.800 . 5.000 2.793 2.730 2.966 . 0 0 "[ . 1 . 2]" 1 140 1 15 PHE HA 1 16 LYS H 1.800 . 5.000 3.551 3.545 3.556 . 0 0 "[ . 1 . 2]" 1 141 1 15 PHE HA 1 18 ARG H 1.800 . 5.000 3.590 3.382 3.643 . 0 0 "[ . 1 . 2]" 1 142 1 15 PHE HA 1 19 CYS H 1.800 . 5.000 4.414 3.901 4.506 . 0 0 "[ . 1 . 2]" 1 143 1 15 PHE HA 1 19 CYS HB2 1.800 . 3.500 2.398 2.276 2.564 . 0 0 "[ . 1 . 2]" 1 144 1 15 PHE HA 1 19 CYS HB3 1.800 . 3.500 2.469 2.273 2.656 . 0 0 "[ . 1 . 2]" 1 145 1 15 PHE HA 1 20 LEU H 1.800 . 5.000 3.955 3.862 4.174 . 0 0 "[ . 1 . 2]" 1 146 1 15 PHE HA 1 99 LEU MD1 1.800 . 5.000 2.541 2.370 3.136 . 0 0 "[ . 1 . 2]" 1 147 1 15 PHE HA 1 99 LEU MD2 1.800 . 5.000 3.778 3.527 4.129 . 0 0 "[ . 1 . 2]" 1 148 1 15 PHE HB2 1 16 LYS H 1.800 . 5.000 3.698 3.658 3.762 . 0 0 "[ . 1 . 2]" 1 149 1 15 PHE HB2 1 99 LEU MD1 1.800 . 5.000 2.200 1.968 3.528 . 0 0 "[ . 1 . 2]" 1 150 1 15 PHE HB2 1 99 LEU MD2 1.800 . 5.000 4.151 2.888 4.571 . 0 0 "[ . 1 . 2]" 1 151 1 15 PHE HB3 1 16 LYS H 1.800 . 5.000 2.378 2.319 2.516 . 0 0 "[ . 1 . 2]" 1 152 1 15 PHE HB3 1 99 LEU MD1 1.800 . 5.000 3.591 3.328 4.834 . 0 0 "[ . 1 . 2]" 1 153 1 15 PHE HB3 1 99 LEU MD2 1.800 . 6.000 5.503 4.307 5.868 . 0 0 "[ . 1 . 2]" 1 154 1 15 PHE QD 1 20 LEU H 1.800 . 5.000 3.399 3.267 3.880 . 0 0 "[ . 1 . 2]" 1 155 1 15 PHE QE 1 103 LEU QD 1.800 . 5.000 2.090 1.990 2.230 . 0 0 "[ . 1 . 2]" 1 156 1 15 PHE HZ 1 20 LEU MD1 1.800 . 5.000 3.845 3.652 5.021 0.021 2 0 "[ . 1 . 2]" 1 157 1 15 PHE HZ 1 20 LEU MD2 1.800 . 6.000 5.974 3.977 6.116 0.116 17 0 "[ . 1 . 2]" 1 158 1 15 PHE HZ 1 23 HIS HA 1.800 . 5.300 4.934 4.647 5.171 . 0 0 "[ . 1 . 2]" 1 159 1 15 PHE HZ 1 23 HIS HB2 1.800 . 3.500 2.553 2.278 2.760 . 0 0 "[ . 1 . 2]" 1 160 1 15 PHE HZ 1 23 HIS HB3 1.800 . 3.500 2.952 2.683 3.200 . 0 0 "[ . 1 . 2]" 1 161 1 15 PHE HZ 1 24 THR HA 1.800 . 5.000 4.958 4.606 5.038 0.038 12 0 "[ . 1 . 2]" 1 162 1 15 PHE HZ 1 25 VAL HB 1.800 . 5.000 4.162 2.593 4.643 . 0 0 "[ . 1 . 2]" 1 163 1 15 PHE HZ 1 25 VAL QG 1.800 . 2.900 2.096 1.966 2.748 . 0 0 "[ . 1 . 2]" 1 164 1 15 PHE HZ 1 37 LEU MD1 1.800 . 6.000 4.295 3.553 5.973 . 0 0 "[ . 1 . 2]" 1 165 1 15 PHE HZ 1 37 LEU MD2 1.800 . 5.000 4.597 3.945 5.023 0.023 5 0 "[ . 1 . 2]" 1 166 1 16 LYS H 1 16 LYS HB2 1.800 . 2.900 2.403 2.394 2.417 . 0 0 "[ . 1 . 2]" 1 167 1 16 LYS H 1 16 LYS HB3 1.800 . 2.900 2.669 2.656 2.690 . 0 0 "[ . 1 . 2]" 1 168 1 16 LYS H 1 16 LYS QE 1.800 . 6.000 5.925 5.874 6.025 0.025 2 0 "[ . 1 . 2]" 1 169 1 16 LYS H 1 16 LYS QG 1.800 . 5.000 3.950 3.946 3.954 . 0 0 "[ . 1 . 2]" 1 170 1 16 LYS H 1 17 THR H 1.800 . 2.900 2.683 2.627 2.777 . 0 0 "[ . 1 . 2]" 1 171 1 16 LYS H 1 99 LEU MD1 1.800 . 6.000 4.717 4.485 5.639 . 0 0 "[ . 1 . 2]" 1 172 1 16 LYS H 1 99 LEU MD2 1.800 . 6.800 6.428 6.062 6.736 . 0 0 "[ . 1 . 2]" 1 173 1 16 LYS HA 1 16 LYS QE 1.800 . 5.000 4.511 4.431 4.750 . 0 0 "[ . 1 . 2]" 1 174 1 16 LYS HA 1 17 THR H 1.800 . 3.500 3.541 3.532 3.559 0.059 2 0 "[ . 1 . 2]" 1 175 1 16 LYS HA 1 20 LEU H 1.800 . 3.500 2.922 2.822 3.564 0.064 2 0 "[ . 1 . 2]" 1 176 1 16 LYS HA 1 20 LEU HB2 1.800 . 3.500 2.328 2.244 2.455 . 0 0 "[ . 1 . 2]" 1 177 1 16 LYS HA 1 20 LEU HB3 1.800 . 5.000 2.408 2.268 3.795 . 0 0 "[ . 1 . 2]" 1 178 1 16 LYS HB2 1 17 THR H 1.800 . 5.000 3.782 3.759 3.827 . 0 0 "[ . 1 . 2]" 1 179 1 16 LYS HB3 1 17 THR H 1.800 . 3.500 2.586 2.541 2.622 . 0 0 "[ . 1 . 2]" 1 180 1 17 THR H 1 17 THR MG 1.800 . 2.900 2.149 2.085 2.387 . 0 0 "[ . 1 . 2]" 1 181 1 17 THR H 1 18 ARG H 1.800 . 2.900 2.688 2.431 2.761 . 0 0 "[ . 1 . 2]" 1 182 1 17 THR HA 1 18 ARG H 1.800 . 5.000 3.549 3.301 3.579 . 0 0 "[ . 1 . 2]" 1 183 1 17 THR HB 1 18 ARG H 1.800 . 5.000 3.919 3.814 4.442 . 0 0 "[ . 1 . 2]" 1 184 1 17 THR MG 1 18 ARG H 1.800 . 5.000 3.914 3.860 4.129 . 0 0 "[ . 1 . 2]" 1 185 1 18 ARG H 1 18 ARG HA 1.800 . 2.900 2.957 2.943 2.975 0.075 18 0 "[ . 1 . 2]" 1 186 1 18 ARG H 1 18 ARG QB 1.800 . 3.500 2.774 2.733 2.819 . 0 0 "[ . 1 . 2]" 1 187 1 18 ARG H 1 18 ARG HG2 1.800 . 5.000 4.104 3.049 4.193 . 0 0 "[ . 1 . 2]" 1 188 1 18 ARG H 1 18 ARG HG3 1.800 . 5.000 3.352 3.195 4.276 . 0 0 "[ . 1 . 2]" 1 189 1 18 ARG H 1 19 CYS H 1.800 . 2.900 2.877 2.242 2.942 0.042 11 0 "[ . 1 . 2]" 1 190 1 18 ARG HA 1 19 CYS H 1.800 . 5.000 2.684 2.600 3.011 . 0 0 "[ . 1 . 2]" 1 191 1 18 ARG HA 1 20 LEU H 1.800 . 5.000 4.878 4.662 5.012 0.012 18 0 "[ . 1 . 2]" 1 192 1 18 ARG QB 1 19 CYS H 1.800 . 5.000 3.921 3.794 3.932 . 0 0 "[ . 1 . 2]" 1 193 1 18 ARG HB2 1 87 PHE QE 1.800 . 5.000 2.493 2.268 3.364 . 0 0 "[ . 1 . 2]" 1 194 1 18 ARG HB2 1 87 PHE HZ 1.800 . 5.000 4.329 3.652 4.703 . 0 0 "[ . 1 . 2]" 1 195 1 18 ARG HB3 1 87 PHE QE 1.800 . 5.000 2.998 2.287 3.919 . 0 0 "[ . 1 . 2]" 1 196 1 18 ARG HB3 1 87 PHE HZ 1.800 . 5.300 5.111 3.924 5.354 0.054 12 0 "[ . 1 . 2]" 1 197 1 18 ARG QG 1 19 CYS H 1.800 . 5.000 4.534 4.479 4.769 . 0 0 "[ . 1 . 2]" 1 198 1 19 CYS H 1 19 CYS HA 1.800 . 2.900 2.873 2.868 2.884 . 0 0 "[ . 1 . 2]" 1 199 1 19 CYS H 1 20 LEU H 1.800 . 5.000 2.237 1.743 2.396 0.057 2 0 "[ . 1 . 2]" 1 200 1 19 CYS HA 1 20 LEU H 1.800 . 3.500 3.572 3.500 3.583 0.083 8 0 "[ . 1 . 2]" 1 201 1 19 CYS HA 1 21 GLN H 1.800 . 5.000 4.290 4.095 4.338 . 0 0 "[ . 1 . 2]" 1 202 1 19 CYS HA 1 103 LEU QD 1.800 . 6.800 5.910 5.764 6.249 . 0 0 "[ . 1 . 2]" 1 203 1 19 CYS HB2 1 20 LEU HA 1.800 . 6.000 5.519 5.483 5.640 . 0 0 "[ . 1 . 2]" 1 204 1 19 CYS HB3 1 20 LEU HA 1.800 . 6.000 3.973 3.919 4.148 . 0 0 "[ . 1 . 2]" 1 205 1 19 CYS HB3 1 23 HIS HB3 1.800 . 6.000 5.998 5.910 6.080 0.080 5 0 "[ . 1 . 2]" 1 206 1 20 LEU H 1 20 LEU HB2 1.800 . 3.500 2.482 2.193 2.550 . 0 0 "[ . 1 . 2]" 1 207 1 20 LEU H 1 20 LEU HB3 1.800 . 3.500 2.633 2.575 2.936 . 0 0 "[ . 1 . 2]" 1 208 1 20 LEU H 1 20 LEU MD1 1.800 . 5.000 4.059 4.019 4.232 . 0 0 "[ . 1 . 2]" 1 209 1 20 LEU H 1 20 LEU MD2 1.800 . 5.000 4.252 3.468 4.314 . 0 0 "[ . 1 . 2]" 1 210 1 20 LEU H 1 20 LEU HG 1.800 . 5.000 4.485 4.405 4.589 . 0 0 "[ . 1 . 2]" 1 211 1 20 LEU H 1 21 GLN H 1.800 . 3.500 2.771 2.732 2.814 . 0 0 "[ . 1 . 2]" 1 212 1 20 LEU HA 1 20 LEU MD1 1.800 . 3.500 2.245 2.190 3.013 . 0 0 "[ . 1 . 2]" 1 213 1 20 LEU HA 1 20 LEU MD2 1.800 . 5.000 3.766 2.149 3.869 . 0 0 "[ . 1 . 2]" 1 214 1 20 LEU HA 1 20 LEU HG 1.800 . 3.500 2.841 2.403 3.597 0.097 2 0 "[ . 1 . 2]" 1 215 1 20 LEU HA 1 21 GLN H 1.800 . 5.000 3.544 3.536 3.549 . 0 0 "[ . 1 . 2]" 1 216 1 20 LEU HA 1 22 CYS H 1.800 . 6.800 4.118 3.990 4.238 . 0 0 "[ . 1 . 2]" 1 217 1 20 LEU HA 1 23 HIS H 1.800 . 5.000 3.430 3.359 3.820 . 0 0 "[ . 1 . 2]" 1 218 1 20 LEU HA 1 23 HIS QB 1.800 . 5.000 3.637 3.530 4.066 . 0 0 "[ . 1 . 2]" 1 219 1 20 LEU HB2 1 20 LEU MD1 1.800 . 5.000 2.245 2.121 3.201 . 0 0 "[ . 1 . 2]" 1 220 1 20 LEU HB2 1 20 LEU MD2 1.800 . 5.000 2.509 2.202 2.953 . 0 0 "[ . 1 . 2]" 1 221 1 20 LEU HB2 1 21 GLN H 1.800 . 5.000 3.900 3.569 3.968 . 0 0 "[ . 1 . 2]" 1 222 1 20 LEU HB3 1 20 LEU MD1 1.800 . 5.000 3.125 2.387 3.184 . 0 0 "[ . 1 . 2]" 1 223 1 20 LEU HB3 1 20 LEU MD2 1.800 . 5.000 2.271 2.110 3.183 . 0 0 "[ . 1 . 2]" 1 224 1 20 LEU HB3 1 21 GLN H 1.800 . 5.000 2.675 2.642 2.718 . 0 0 "[ . 1 . 2]" 1 225 1 20 LEU MD1 1 21 GLN H 1.800 . 5.300 4.658 3.670 4.916 . 0 0 "[ . 1 . 2]" 1 226 1 20 LEU MD1 1 23 HIS H 1.800 . 6.000 4.907 4.586 5.862 . 0 0 "[ . 1 . 2]" 1 227 1 20 LEU MD1 1 24 THR HA 1.800 . 3.500 2.731 2.466 3.542 0.042 20 0 "[ . 1 . 2]" 1 228 1 20 LEU MD2 1 21 GLN H 1.800 . 5.000 4.174 3.353 4.688 . 0 0 "[ . 1 . 2]" 1 229 1 20 LEU MD2 1 23 HIS H 1.800 . 6.300 6.249 5.164 6.358 0.058 7 0 "[ . 1 . 2]" 1 230 1 20 LEU MD2 1 24 THR HA 1.800 . 5.000 4.766 3.204 5.004 0.004 8 0 "[ . 1 . 2]" 1 231 1 20 LEU HG 1 21 GLN H 1.800 . 6.000 3.978 3.876 4.976 . 0 0 "[ . 1 . 2]" 1 232 1 21 GLN H 1 21 GLN QE 1.800 . 5.000 4.555 3.400 5.054 0.054 8 0 "[ . 1 . 2]" 1 233 1 21 GLN H 1 21 GLN HG2 1.800 . 5.000 3.342 2.018 4.519 . 0 0 "[ . 1 . 2]" 1 234 1 21 GLN H 1 21 GLN HG3 1.800 . 5.000 2.284 2.068 4.355 . 0 0 "[ . 1 . 2]" 1 235 1 21 GLN H 1 22 CYS H 1.800 . 5.000 2.758 2.738 2.850 . 0 0 "[ . 1 . 2]" 1 236 1 21 GLN H 1 23 HIS H 1.800 . 5.000 4.283 4.192 4.570 . 0 0 "[ . 1 . 2]" 1 237 1 21 GLN HA 1 22 CYS H 1.800 . 5.000 3.542 3.530 3.561 . 0 0 "[ . 1 . 2]" 1 238 1 21 GLN HB2 1 22 CYS H 1.800 . 5.000 2.789 2.686 3.857 . 0 0 "[ . 1 . 2]" 1 239 1 21 GLN HB3 1 22 CYS H 1.800 . 5.000 3.686 2.693 3.785 . 0 0 "[ . 1 . 2]" 1 240 1 21 GLN HG2 1 22 CYS H 1.800 . 5.000 4.933 4.053 5.044 0.044 2 0 "[ . 1 . 2]" 1 241 1 21 GLN HG3 1 22 CYS H 1.800 . 5.000 4.391 4.311 5.027 0.027 12 0 "[ . 1 . 2]" 1 242 1 22 CYS H 1 23 HIS H 1.800 . 5.000 2.340 2.309 2.457 . 0 0 "[ . 1 . 2]" 1 243 1 22 CYS HA 1 23 HIS H 1.800 . 5.000 3.572 3.557 3.590 . 0 0 "[ . 1 . 2]" 1 244 1 22 CYS HA 1 23 HIS QB 1.800 . 6.000 5.437 5.409 5.460 . 0 0 "[ . 1 . 2]" 1 245 1 22 CYS HA 1 24 THR MG 1.800 . 5.300 5.019 4.740 5.149 . 0 0 "[ . 1 . 2]" 1 246 1 22 CYS HA 1 33 VAL HB 1.800 . 5.000 2.442 2.277 3.860 . 0 0 "[ . 1 . 2]" 1 247 1 22 CYS HA 1 33 VAL MG1 1.800 . 5.000 3.374 2.220 4.734 . 0 0 "[ . 1 . 2]" 1 248 1 22 CYS HA 1 33 VAL MG2 1.800 . 5.000 3.231 2.187 5.002 0.002 15 0 "[ . 1 . 2]" 1 249 1 22 CYS HA 1 34 GLY H 1.800 . 3.500 3.356 2.991 3.557 0.057 4 0 "[ . 1 . 2]" 1 250 1 22 CYS HA 1 34 GLY QA 1.800 . 5.000 4.559 4.043 4.916 . 0 0 "[ . 1 . 2]" 1 251 1 22 CYS QB 1 33 VAL HB 1.800 . 6.000 3.379 2.931 4.644 . 0 0 "[ . 1 . 2]" 1 252 1 22 CYS QB 1 34 GLY H 1.800 . 5.000 3.423 3.136 3.779 . 0 0 "[ . 1 . 2]" 1 253 1 22 CYS HB2 1 23 HIS H 1.800 . 5.000 2.554 2.440 2.613 . 0 0 "[ . 1 . 2]" 1 254 1 22 CYS HB3 1 23 HIS H 1.800 . 5.000 3.521 3.374 3.591 . 0 0 "[ . 1 . 2]" 1 255 1 22 CYS HB3 1 33 VAL MG1 1.800 . 6.000 3.259 2.215 4.608 . 0 0 "[ . 1 . 2]" 1 256 1 22 CYS HB3 1 33 VAL MG2 1.800 . 6.000 4.663 3.944 6.029 0.029 15 0 "[ . 1 . 2]" 1 257 1 23 HIS H 1 23 HIS HB2 1.800 . 3.500 2.413 2.389 2.463 . 0 0 "[ . 1 . 2]" 1 258 1 23 HIS H 1 24 THR H 1.800 . 5.000 4.446 4.357 4.494 . 0 0 "[ . 1 . 2]" 1 259 1 23 HIS H 1 25 VAL H 1.800 . 6.000 5.628 5.402 5.776 . 0 0 "[ . 1 . 2]" 1 260 1 23 HIS HA 1 24 THR HA 1.800 . 6.000 4.449 4.433 4.478 . 0 0 "[ . 1 . 2]" 1 261 1 23 HIS HA 1 24 THR HB 1.800 . 6.000 5.743 5.701 5.778 . 0 0 "[ . 1 . 2]" 1 262 1 23 HIS HA 1 36 ASN HA 1.800 . 5.000 3.672 3.383 4.062 . 0 0 "[ . 1 . 2]" 1 263 1 23 HIS QB 1 24 THR HA 1.800 . 5.000 4.440 4.325 4.494 . 0 0 "[ . 1 . 2]" 1 264 1 23 HIS QB 1 34 GLY QA 1.800 . 5.300 5.039 4.672 5.329 0.029 6 0 "[ . 1 . 2]" 1 265 1 23 HIS QB 1 37 LEU H 1.800 . 5.000 3.455 3.242 3.595 . 0 0 "[ . 1 . 2]" 1 266 1 23 HIS QB 1 37 LEU QB 1.800 . 5.000 3.803 2.744 4.195 . 0 0 "[ . 1 . 2]" 1 267 1 23 HIS QB 1 37 LEU QD 1.800 . 3.500 2.369 1.970 3.537 0.037 16 0 "[ . 1 . 2]" 1 268 1 23 HIS HB2 1 24 THR H 1.800 . 5.000 4.341 4.266 4.442 . 0 0 "[ . 1 . 2]" 1 269 1 23 HIS HB2 1 103 LEU MD1 1.800 . 5.000 5.057 5.026 5.122 0.122 5 0 "[ . 1 . 2]" 1 270 1 23 HIS HB3 1 24 THR H 1.800 . 5.000 3.421 3.258 3.668 . 0 0 "[ . 1 . 2]" 1 271 1 24 THR H 1 24 THR MG 1.800 . 5.000 2.293 2.126 2.456 . 0 0 "[ . 1 . 2]" 1 272 1 24 THR H 1 25 VAL H 1.800 . 3.500 2.295 2.184 2.375 . 0 0 "[ . 1 . 2]" 1 273 1 24 THR H 1 32 LYS QB 1.800 . 5.000 4.287 3.777 4.891 . 0 0 "[ . 1 . 2]" 1 274 1 24 THR H 1 36 ASN HA 1.800 . 5.000 3.106 2.654 3.422 . 0 0 "[ . 1 . 2]" 1 275 1 24 THR H 1 37 LEU H 1.800 . 5.000 4.442 4.024 4.819 . 0 0 "[ . 1 . 2]" 1 276 1 24 THR HA 1 24 THR HB 1.800 . 2.900 2.425 2.364 2.442 . 0 0 "[ . 1 . 2]" 1 277 1 24 THR HA 1 24 THR MG 1.800 . 2.900 2.389 2.328 2.511 . 0 0 "[ . 1 . 2]" 1 278 1 24 THR HA 1 25 VAL H 1.800 . 5.000 3.455 3.335 3.508 . 0 0 "[ . 1 . 2]" 1 279 1 24 THR HA 1 25 VAL QG 1.800 . 5.000 3.402 3.080 4.032 . 0 0 "[ . 1 . 2]" 1 280 1 24 THR HB 1 25 VAL H 1.800 . 5.000 4.102 3.957 4.337 . 0 0 "[ . 1 . 2]" 1 281 1 24 THR HB 1 25 VAL QG 1.800 . 5.000 4.663 4.287 5.028 0.028 1 0 "[ . 1 . 2]" 1 282 1 24 THR HB 1 36 ASN QD 1.800 . 5.000 3.938 3.519 4.333 . 0 0 "[ . 1 . 2]" 1 283 1 24 THR MG 1 25 VAL H 1.800 . 5.000 3.881 3.681 4.008 . 0 0 "[ . 1 . 2]" 1 284 1 24 THR MG 1 30 PRO QD 1.800 . 5.000 4.181 2.415 5.016 0.016 9 0 "[ . 1 . 2]" 1 285 1 24 THR MG 1 32 LYS HB2 1.800 . 5.000 2.643 2.146 3.065 . 0 0 "[ . 1 . 2]" 1 286 1 24 THR MG 1 32 LYS HB3 1.800 . 3.500 3.005 2.066 3.599 0.099 12 0 "[ . 1 . 2]" 1 287 1 24 THR MG 1 34 GLY H 1.800 . 5.300 4.870 4.660 5.120 . 0 0 "[ . 1 . 2]" 1 288 1 24 THR MG 1 36 ASN HD21 1.800 . 3.500 3.146 2.423 3.559 0.059 6 0 "[ . 1 . 2]" 1 289 1 24 THR MG 1 36 ASN QD 1.800 . 3.500 2.476 1.899 3.036 . 0 0 "[ . 1 . 2]" 1 290 1 24 THR MG 1 36 ASN HD22 1.800 . 5.000 2.622 1.969 3.329 . 0 0 "[ . 1 . 2]" 1 291 1 25 VAL H 1 25 VAL QG 1.800 . 5.000 2.547 2.291 3.100 . 0 0 "[ . 1 . 2]" 1 292 1 25 VAL H 1 26 GLU H 1.800 . 5.000 2.900 2.660 3.288 . 0 0 "[ . 1 . 2]" 1 293 1 25 VAL H 1 36 ASN H 1.800 . 5.300 5.335 5.165 5.381 0.081 8 0 "[ . 1 . 2]" 1 294 1 25 VAL H 1 37 LEU H 1.800 . 5.000 2.771 2.238 3.312 . 0 0 "[ . 1 . 2]" 1 295 1 25 VAL HA 1 25 VAL QG 1.800 . 3.500 2.110 2.051 2.251 . 0 0 "[ . 1 . 2]" 1 296 1 25 VAL QG 1 26 GLU HB2 1.800 . 6.000 4.927 3.544 5.410 . 0 0 "[ . 1 . 2]" 1 297 1 25 VAL QG 1 26 GLU HB3 1.800 . 6.000 5.447 4.513 5.858 . 0 0 "[ . 1 . 2]" 1 298 1 25 VAL QG 1 37 LEU H 1.800 . 5.000 2.874 2.140 3.569 . 0 0 "[ . 1 . 2]" 1 299 1 25 VAL QG 1 37 LEU QB 1.800 . 5.000 2.331 1.987 2.915 . 0 0 "[ . 1 . 2]" 1 300 1 25 VAL QG 1 103 LEU QD 1.800 . 5.000 2.034 1.844 2.437 . 0 0 "[ . 1 . 2]" 1 301 1 25 VAL QG 1 106 ALA MB 1.800 . 5.000 2.487 1.937 5.032 0.032 4 0 "[ . 1 . 2]" 1 302 1 26 GLU H 1 27 LYS H 1.800 . 5.000 4.527 4.425 4.665 . 0 0 "[ . 1 . 2]" 1 303 1 26 GLU H 1 36 ASN HD21 1.800 . 5.000 4.237 3.199 5.023 0.023 11 0 "[ . 1 . 2]" 1 304 1 26 GLU H 1 36 ASN QD 1.800 . 5.000 3.841 3.058 4.444 . 0 0 "[ . 1 . 2]" 1 305 1 26 GLU H 1 36 ASN HD22 1.800 . 5.000 4.589 3.436 5.015 0.015 13 0 "[ . 1 . 2]" 1 306 1 26 GLU HA 1 27 LYS H 1.800 . 5.000 2.247 2.186 2.385 . 0 0 "[ . 1 . 2]" 1 307 1 26 GLU QB 1 29 GLY H 1.800 . 5.300 2.842 1.885 4.355 . 0 0 "[ . 1 . 2]" 1 308 1 26 GLU HB2 1 27 LYS H 1.800 . 5.000 4.157 3.737 4.375 . 0 0 "[ . 1 . 2]" 1 309 1 26 GLU HB3 1 27 LYS H 1.800 . 5.000 3.539 2.620 4.212 . 0 0 "[ . 1 . 2]" 1 310 1 27 LYS H 1 27 LYS QE 1.800 . 5.300 4.522 3.070 5.410 0.110 1 0 "[ . 1 . 2]" 1 311 1 27 LYS H 1 27 LYS HG2 1.800 . 5.000 2.838 2.062 4.506 . 0 0 "[ . 1 . 2]" 1 312 1 27 LYS H 1 27 LYS HG3 1.800 . 5.000 3.780 3.395 4.526 . 0 0 "[ . 1 . 2]" 1 313 1 27 LYS HA 1 28 GLY H 1.800 . 5.000 3.349 2.227 3.557 . 0 0 "[ . 1 . 2]" 1 314 1 27 LYS HA 1 38 HIS HB2 1.800 . 5.000 4.067 2.917 5.015 0.015 12 0 "[ . 1 . 2]" 1 315 1 27 LYS HA 1 38 HIS HB3 1.800 . 5.000 4.349 2.982 5.028 0.028 17 0 "[ . 1 . 2]" 1 316 1 27 LYS HB2 1 28 GLY H 1.800 . 5.000 3.810 3.359 4.195 . 0 0 "[ . 1 . 2]" 1 317 1 27 LYS HB3 1 28 GLY H 1.800 . 5.000 3.562 1.791 3.981 0.009 15 0 "[ . 1 . 2]" 1 318 1 27 LYS HD2 1 28 GLY H 1.800 . 5.000 4.649 4.281 5.091 0.091 1 0 "[ . 1 . 2]" 1 319 1 27 LYS HD3 1 28 GLY H 1.800 . 5.000 4.556 4.340 5.102 0.102 18 0 "[ . 1 . 2]" 1 320 1 27 LYS QE 1 28 GLY H 1.800 . 5.000 3.944 2.644 4.999 . 0 0 "[ . 1 . 2]" 1 321 1 27 LYS HG2 1 28 GLY H 1.800 . 3.500 2.232 2.063 2.671 . 0 0 "[ . 1 . 2]" 1 322 1 27 LYS HG3 1 28 GLY H 1.800 . 3.500 2.586 2.269 3.646 0.146 19 0 "[ . 1 . 2]" 1 323 1 28 GLY HA2 1 29 GLY H 1.800 . 3.500 3.340 2.738 3.541 0.041 4 0 "[ . 1 . 2]" 1 324 1 28 GLY HA3 1 29 GLY H 1.800 . 5.000 3.127 2.873 3.576 . 0 0 "[ . 1 . 2]" 1 325 1 29 GLY H 1 30 PRO HA 1.800 . 6.000 5.591 5.095 5.997 . 0 0 "[ . 1 . 2]" 1 326 1 29 GLY QA 1 36 ASN QD 1.800 . 5.000 4.486 2.672 5.052 0.052 18 0 "[ . 1 . 2]" 1 327 1 30 PRO HA 1 30 PRO HD2 1.800 . 5.000 4.096 4.077 4.101 . 0 0 "[ . 1 . 2]" 1 328 1 30 PRO HA 1 30 PRO HD3 1.800 . 5.000 3.627 3.475 3.709 . 0 0 "[ . 1 . 2]" 1 329 1 30 PRO HA 1 31 HIS H 1.800 . 3.500 2.960 2.492 3.510 0.010 6 0 "[ . 1 . 2]" 1 330 1 30 PRO HA 1 31 HIS HA 1.800 . 6.000 4.712 4.433 5.354 . 0 0 "[ . 1 . 2]" 1 331 1 30 PRO QB 1 30 PRO HD2 1.800 . 3.500 3.525 3.517 3.538 0.038 5 0 "[ . 1 . 2]" 1 332 1 30 PRO QB 1 30 PRO HD3 1.800 . 3.500 2.935 2.893 2.983 . 0 0 "[ . 1 . 2]" 1 333 1 30 PRO QB 1 31 HIS HA 1.800 . 5.000 4.450 4.227 5.084 0.084 8 0 "[ . 1 . 2]" 1 334 1 30 PRO HG2 1 31 HIS HA 1.800 . 5.000 4.853 4.510 5.002 0.002 1 0 "[ . 1 . 2]" 1 335 1 30 PRO HG3 1 31 HIS HA 1.800 . 6.300 6.357 6.181 6.432 0.132 1 0 "[ . 1 . 2]" 1 336 1 31 HIS HA 1 36 ASN H 1.800 . 5.300 3.789 3.188 4.697 . 0 0 "[ . 1 . 2]" 1 337 1 31 HIS HA 1 36 ASN HA 1.800 . 5.000 4.886 4.360 5.103 0.103 17 0 "[ . 1 . 2]" 1 338 1 31 HIS QB 1 35 PRO HA 1.800 . 5.000 3.264 2.421 4.499 . 0 0 "[ . 1 . 2]" 1 339 1 31 HIS QB 1 51 TYR QB 1.800 . 3.500 2.769 2.341 3.552 0.052 17 0 "[ . 1 . 2]" 1 340 1 31 HIS QB 1 51 TYR HE1 1.800 . 5.300 3.788 2.999 5.303 0.003 15 0 "[ . 1 . 2]" 1 341 1 31 HIS HB2 1 32 LYS H 1.800 . 5.000 4.275 4.115 4.642 . 0 0 "[ . 1 . 2]" 1 342 1 31 HIS HB2 1 51 TYR HD1 1.800 . 5.300 3.012 2.281 5.196 . 0 0 "[ . 1 . 2]" 1 343 1 31 HIS HB3 1 32 LYS H 1.800 . 5.000 3.608 3.144 4.475 . 0 0 "[ . 1 . 2]" 1 344 1 31 HIS HB3 1 51 TYR HD1 1.800 . 5.000 2.608 2.274 3.706 . 0 0 "[ . 1 . 2]" 1 345 1 31 HIS HD1 1 48 ALA MB 1.800 . 5.000 4.209 3.562 4.687 . 0 0 "[ . 1 . 2]" 1 346 1 31 HIS HD1 1 51 TYR QB 1.800 . 3.500 2.676 2.406 2.911 . 0 0 "[ . 1 . 2]" 1 347 1 31 HIS HD1 1 51 TYR HD1 1.800 . 5.000 4.402 4.117 5.013 0.013 17 0 "[ . 1 . 2]" 1 348 1 31 HIS HE1 1 35 PRO HA 1.800 . 5.000 3.715 3.157 4.171 . 0 0 "[ . 1 . 2]" 1 349 1 31 HIS HE1 1 35 PRO HB2 1.800 . 5.300 4.131 3.753 4.455 . 0 0 "[ . 1 . 2]" 1 350 1 31 HIS HE1 1 35 PRO QB 1.800 . 5.000 3.703 3.308 3.971 . 0 0 "[ . 1 . 2]" 1 351 1 31 HIS HE1 1 35 PRO HB3 1.800 . 5.000 4.196 3.562 4.776 . 0 0 "[ . 1 . 2]" 1 352 1 31 HIS HE1 1 36 ASN H 1.800 . 5.000 2.801 1.796 5.015 0.015 5 0 "[ . 1 . 2]" 1 353 1 31 HIS HE1 1 36 ASN HA 1.800 . 5.300 5.229 4.529 5.373 0.073 11 0 "[ . 1 . 2]" 1 354 1 31 HIS HE1 1 36 ASN HB2 1.800 . 5.000 3.226 2.776 3.502 . 0 0 "[ . 1 . 2]" 1 355 1 31 HIS HE1 1 36 ASN HB3 1.800 . 5.000 4.823 3.424 5.066 0.066 6 0 "[ . 1 . 2]" 1 356 1 31 HIS HE1 1 48 ALA MB 1.800 . 2.900 2.790 2.255 2.983 0.083 9 0 "[ . 1 . 2]" 1 357 1 31 HIS HE1 1 50 GLY QA 1.800 . 5.000 4.353 3.472 5.000 0.000 19 0 "[ . 1 . 2]" 1 358 1 31 HIS HE1 1 51 TYR QB 1.800 . 3.500 3.535 3.282 3.611 0.111 8 0 "[ . 1 . 2]" 1 359 1 32 LYS H 1 36 ASN HD21 1.800 . 3.500 3.519 3.295 3.615 0.115 8 0 "[ . 1 . 2]" 1 360 1 32 LYS H 1 36 ASN QD 1.800 . 5.000 2.518 2.060 3.130 . 0 0 "[ . 1 . 2]" 1 361 1 32 LYS H 1 36 ASN HD22 1.800 . 3.500 2.613 2.074 3.516 0.016 11 0 "[ . 1 . 2]" 1 362 1 32 LYS QB 1 33 VAL H 1.800 . 5.000 2.317 1.715 3.793 0.085 12 0 "[ . 1 . 2]" 1 363 1 32 LYS QB 1 33 VAL QG 1.800 . 5.000 3.350 2.319 3.891 . 0 0 "[ . 1 . 2]" 1 364 1 33 VAL H 1 33 VAL MG1 1.800 . 5.000 3.858 3.760 4.067 . 0 0 "[ . 1 . 2]" 1 365 1 33 VAL H 1 33 VAL MG2 1.800 . 5.000 2.382 2.162 2.815 . 0 0 "[ . 1 . 2]" 1 366 1 33 VAL HA 1 33 VAL MG1 1.800 . 3.500 2.363 2.217 2.420 . 0 0 "[ . 1 . 2]" 1 367 1 33 VAL HA 1 33 VAL MG2 1.800 . 3.500 2.319 2.214 2.613 . 0 0 "[ . 1 . 2]" 1 368 1 33 VAL MG1 1 34 GLY H 1.800 . 5.300 3.047 2.000 3.501 . 0 0 "[ . 1 . 2]" 1 369 1 33 VAL MG2 1 34 GLY H 1.800 . 5.000 3.759 3.213 3.954 . 0 0 "[ . 1 . 2]" 1 370 1 34 GLY QA 1 35 PRO QD 1.800 . 5.000 2.018 1.999 2.057 . 0 0 "[ . 1 . 2]" 1 371 1 35 PRO HA 1 36 ASN H 1.800 . 5.000 2.404 2.238 3.300 . 0 0 "[ . 1 . 2]" 1 372 1 35 PRO HA 1 36 ASN HA 1.800 . 5.000 4.492 4.398 5.155 0.155 5 0 "[ . 1 . 2]" 1 373 1 35 PRO QB 1 48 ALA MB 1.800 . 3.500 2.860 1.941 3.535 0.035 6 0 "[ . 1 . 2]" 1 374 1 35 PRO QB 1 51 TYR QB 1.800 . 5.000 2.379 2.201 3.121 . 0 0 "[ . 1 . 2]" 1 375 1 35 PRO QB 1 51 TYR QE 1.800 . 5.000 4.553 3.889 5.027 0.027 11 0 "[ . 1 . 2]" 1 376 1 35 PRO HB2 1 36 ASN H 1.800 . 5.000 3.240 3.031 3.953 . 0 0 "[ . 1 . 2]" 1 377 1 35 PRO HB2 1 51 TYR QD 1.800 . 5.000 4.532 4.008 5.005 0.005 17 0 "[ . 1 . 2]" 1 378 1 35 PRO HB3 1 36 ASN H 1.800 . 5.000 3.762 3.581 4.597 . 0 0 "[ . 1 . 2]" 1 379 1 35 PRO HB3 1 51 TYR QD 1.800 . 5.000 2.924 2.287 3.297 . 0 0 "[ . 1 . 2]" 1 380 1 35 PRO QG 1 36 ASN H 1.800 . 5.000 4.466 3.495 4.811 . 0 0 "[ . 1 . 2]" 1 381 1 35 PRO QG 1 40 ILE MD 1.800 . 5.000 4.680 3.988 5.067 0.067 6 0 "[ . 1 . 2]" 1 382 1 35 PRO QG 1 51 TYR QD 1.800 . 5.000 3.226 2.559 4.085 . 0 0 "[ . 1 . 2]" 1 383 1 35 PRO QG 1 51 TYR QE 1.800 . 5.000 4.191 3.394 5.003 0.003 17 0 "[ . 1 . 2]" 1 384 1 36 ASN H 1 37 LEU H 1.800 . 5.000 4.549 3.924 4.668 . 0 0 "[ . 1 . 2]" 1 385 1 36 ASN H 1 48 ALA MB 1.800 . 5.000 4.132 3.296 4.855 . 0 0 "[ . 1 . 2]" 1 386 1 36 ASN HA 1 37 LEU H 1.800 . 5.000 2.246 2.193 2.292 . 0 0 "[ . 1 . 2]" 1 387 1 36 ASN HB2 1 37 LEU H 1.800 . 5.000 4.075 3.882 4.558 . 0 0 "[ . 1 . 2]" 1 388 1 36 ASN HB3 1 37 LEU H 1.800 . 5.000 3.195 2.946 3.728 . 0 0 "[ . 1 . 2]" 1 389 1 37 LEU H 1 37 LEU MD1 1.800 . 5.000 2.125 1.767 4.091 0.033 6 0 "[ . 1 . 2]" 1 390 1 37 LEU H 1 37 LEU MD2 1.800 . 5.000 4.017 3.874 4.417 . 0 0 "[ . 1 . 2]" 1 391 1 37 LEU H 1 37 LEU HG 1.800 . 5.000 3.794 3.573 4.532 . 0 0 "[ . 1 . 2]" 1 392 1 37 LEU H 1 38 HIS H 1.800 . 5.000 4.393 2.501 4.588 . 0 0 "[ . 1 . 2]" 1 393 1 37 LEU H 1 40 ILE MD 1.800 . 6.000 5.559 5.215 6.027 0.027 17 0 "[ . 1 . 2]" 1 394 1 37 LEU H 1 40 ILE MG 1.800 . 6.000 5.748 4.685 6.092 0.092 17 0 "[ . 1 . 2]" 1 395 1 37 LEU HA 1 37 LEU MD1 1.800 . 5.000 2.822 2.150 3.133 . 0 0 "[ . 1 . 2]" 1 396 1 37 LEU HA 1 37 LEU MD2 1.800 . 5.000 3.716 3.552 3.791 . 0 0 "[ . 1 . 2]" 1 397 1 37 LEU QB 1 103 LEU QD 1.800 . 5.000 3.081 2.609 3.774 . 0 0 "[ . 1 . 2]" 1 398 1 37 LEU HB2 1 40 ILE MG 1.800 . 5.300 4.141 3.527 4.538 . 0 0 "[ . 1 . 2]" 1 399 1 37 LEU HB3 1 40 ILE MG 1.800 . 5.000 2.847 2.108 4.460 . 0 0 "[ . 1 . 2]" 1 400 1 37 LEU MD1 1 103 LEU MD1 1.800 . 5.000 4.065 3.468 4.895 . 0 0 "[ . 1 . 2]" 1 401 1 37 LEU MD1 1 103 LEU MD2 1.800 . 5.000 4.185 3.408 5.011 0.011 8 0 "[ . 1 . 2]" 1 402 1 37 LEU MD2 1 103 LEU MD1 1.800 . 5.000 2.475 1.788 3.250 0.012 16 0 "[ . 1 . 2]" 1 403 1 37 LEU MD2 1 103 LEU MD2 1.800 . 5.000 3.217 2.085 4.159 . 0 0 "[ . 1 . 2]" 1 404 1 37 LEU HG 1 69 MET ME 1.800 . 5.000 4.842 4.067 5.032 0.032 19 0 "[ . 1 . 2]" 1 405 1 38 HIS HA 1 39 GLY H 1.800 . 3.500 2.327 2.194 3.529 0.029 9 0 "[ . 1 . 2]" 1 406 1 38 HIS HA 1 40 ILE H 1.800 . 6.000 3.703 3.356 4.678 . 0 0 "[ . 1 . 2]" 1 407 1 38 HIS HA 1 41 PHE QD 1.800 . 5.300 5.352 5.282 5.391 0.091 4 0 "[ . 1 . 2]" 1 408 1 39 GLY H 1 40 ILE MD 1.800 . 6.300 5.913 5.382 6.078 . 0 0 "[ . 1 . 2]" 1 409 1 39 GLY H 1 40 ILE MG 1.800 . 6.000 3.762 3.568 4.342 . 0 0 "[ . 1 . 2]" 1 410 1 39 GLY HA2 1 40 ILE H 1.800 . 5.000 3.181 2.663 3.251 . 0 0 "[ . 1 . 2]" 1 411 1 39 GLY HA3 1 40 ILE H 1.800 . 5.000 3.361 3.319 3.587 . 0 0 "[ . 1 . 2]" 1 412 1 40 ILE H 1 40 ILE HA 1.800 . 2.900 2.841 2.825 2.984 0.084 9 0 "[ . 1 . 2]" 1 413 1 40 ILE H 1 40 ILE HB 1.800 . 3.500 2.387 2.328 2.860 . 0 0 "[ . 1 . 2]" 1 414 1 40 ILE H 1 40 ILE MD 1.800 . 5.000 4.164 3.798 4.502 . 0 0 "[ . 1 . 2]" 1 415 1 40 ILE H 1 40 ILE QG 1.800 . 5.000 3.982 3.948 4.067 . 0 0 "[ . 1 . 2]" 1 416 1 40 ILE H 1 40 ILE MG 1.800 . 5.000 2.333 2.031 2.485 . 0 0 "[ . 1 . 2]" 1 417 1 40 ILE H 1 41 PHE H 1.800 . 2.900 2.674 2.193 2.718 . 0 0 "[ . 1 . 2]" 1 418 1 40 ILE HA 1 40 ILE MD 1.800 . 5.000 3.363 2.227 3.658 . 0 0 "[ . 1 . 2]" 1 419 1 40 ILE HA 1 40 ILE QG 1.800 . 5.000 2.270 2.215 2.510 . 0 0 "[ . 1 . 2]" 1 420 1 40 ILE HA 1 40 ILE MG 1.800 . 3.500 3.182 3.173 3.188 . 0 0 "[ . 1 . 2]" 1 421 1 40 ILE HA 1 41 PHE H 1.800 . 3.500 3.462 3.283 3.481 . 0 0 "[ . 1 . 2]" 1 422 1 40 ILE HA 1 43 ARG H 1.800 . 5.000 4.479 4.359 4.733 . 0 0 "[ . 1 . 2]" 1 423 1 40 ILE HA 1 43 ARG QD 1.800 . 5.300 3.147 2.293 5.109 . 0 0 "[ . 1 . 2]" 1 424 1 40 ILE HA 1 43 ARG QG 1.800 . 5.000 3.656 2.242 4.308 . 0 0 "[ . 1 . 2]" 1 425 1 40 ILE HB 1 41 PHE H 1.800 . 5.000 4.013 3.967 4.339 . 0 0 "[ . 1 . 2]" 1 426 1 40 ILE MD 1 41 PHE H 1.800 . 5.300 4.998 4.908 5.347 0.047 9 0 "[ . 1 . 2]" 1 427 1 40 ILE MD 1 64 TRP HD1 1.800 . 5.000 3.286 2.469 3.781 . 0 0 "[ . 1 . 2]" 1 428 1 40 ILE MD 1 69 MET ME 1.800 . 5.000 3.280 2.390 4.747 . 0 0 "[ . 1 . 2]" 1 429 1 40 ILE QG 1 41 PHE HA 1.800 . 6.000 4.156 4.065 4.296 . 0 0 "[ . 1 . 2]" 1 430 1 40 ILE QG 1 64 TRP HD1 1.800 . 5.000 2.866 2.293 3.363 . 0 0 "[ . 1 . 2]" 1 431 1 40 ILE QG 1 64 TRP HZ3 1.800 . 6.300 6.286 6.166 6.336 0.036 15 0 "[ . 1 . 2]" 1 432 1 40 ILE MG 1 41 PHE H 1.800 . 3.500 2.284 2.119 2.940 . 0 0 "[ . 1 . 2]" 1 433 1 40 ILE MG 1 41 PHE QD 1.800 . 3.500 2.695 2.486 3.165 . 0 0 "[ . 1 . 2]" 1 434 1 40 ILE MG 1 41 PHE QE 1.800 . 3.500 3.172 2.938 3.506 0.006 9 0 "[ . 1 . 2]" 1 435 1 40 ILE MG 1 41 PHE HZ 1.800 . 5.300 4.259 3.983 4.511 . 0 0 "[ . 1 . 2]" 1 436 1 40 ILE MG 1 64 TRP HD1 1.800 . 5.300 4.810 4.268 5.274 . 0 0 "[ . 1 . 2]" 1 437 1 40 ILE MG 1 100 ILE MG 1.800 . 6.300 5.502 5.262 5.742 . 0 0 "[ . 1 . 2]" 1 438 1 41 PHE H 1 41 PHE HB2 1.800 . 3.500 2.392 2.294 2.446 . 0 0 "[ . 1 . 2]" 1 439 1 41 PHE H 1 41 PHE HB3 1.800 . 3.500 3.590 3.583 3.597 0.097 13 0 "[ . 1 . 2]" 1 440 1 41 PHE H 1 42 GLY H 1.800 . 5.000 4.615 4.560 4.644 . 0 0 "[ . 1 . 2]" 1 441 1 41 PHE H 1 69 MET ME 1.800 . 5.000 3.845 3.528 4.280 . 0 0 "[ . 1 . 2]" 1 442 1 41 PHE HA 1 41 PHE QD 1.800 . 5.000 2.873 2.730 2.950 . 0 0 "[ . 1 . 2]" 1 443 1 41 PHE HA 1 42 GLY H 1.800 . 3.500 2.217 2.192 2.239 . 0 0 "[ . 1 . 2]" 1 444 1 41 PHE HB2 1 42 GLY H 1.800 . 5.000 4.222 4.143 4.336 . 0 0 "[ . 1 . 2]" 1 445 1 41 PHE HB2 1 69 MET ME 1.800 . 5.000 4.608 4.260 5.027 0.027 18 0 "[ . 1 . 2]" 1 446 1 41 PHE HB3 1 42 GLY H 1.800 . 5.000 3.230 3.106 3.339 . 0 0 "[ . 1 . 2]" 1 447 1 41 PHE HB3 1 69 MET ME 1.800 . 5.000 4.401 4.120 4.746 . 0 0 "[ . 1 . 2]" 1 448 1 41 PHE QD 1 64 TRP QB 1.800 . 5.000 4.630 4.399 4.775 . 0 0 "[ . 1 . 2]" 1 449 1 41 PHE QD 1 66 GLU H 1.800 . 5.000 2.974 2.343 3.908 . 0 0 "[ . 1 . 2]" 1 450 1 41 PHE QD 1 69 MET QB 1.800 . 6.000 4.540 3.374 5.110 . 0 0 "[ . 1 . 2]" 1 451 1 41 PHE QD 1 69 MET ME 1.800 . 3.500 3.031 2.658 3.358 . 0 0 "[ . 1 . 2]" 1 452 1 41 PHE QD 1 104 LYS HA 1.800 . 5.000 3.899 3.638 4.105 . 0 0 "[ . 1 . 2]" 1 453 1 41 PHE QE 1 66 GLU HA 1.800 . 3.500 2.675 2.278 3.264 . 0 0 "[ . 1 . 2]" 1 454 1 41 PHE QE 1 66 GLU QB 1.800 . 5.000 4.345 3.852 4.976 . 0 0 "[ . 1 . 2]" 1 455 1 41 PHE QE 1 69 MET ME 1.800 . 3.500 2.797 2.500 3.127 . 0 0 "[ . 1 . 2]" 1 456 1 41 PHE QE 1 69 MET QG 1.800 . 5.000 3.004 2.266 3.878 . 0 0 "[ . 1 . 2]" 1 457 1 41 PHE QE 1 100 ILE MD 1.800 . 5.000 4.241 3.989 4.685 . 0 0 "[ . 1 . 2]" 1 458 1 41 PHE QE 1 103 LEU H 1.800 . 5.000 5.041 4.941 5.095 0.095 4 0 "[ . 1 . 2]" 1 459 1 41 PHE QE 1 103 LEU QD 1.800 . 5.000 3.375 3.174 3.570 . 0 0 "[ . 1 . 2]" 1 460 1 41 PHE QE 1 104 LYS H 1.800 . 5.000 3.975 3.683 4.129 . 0 0 "[ . 1 . 2]" 1 461 1 41 PHE QE 1 104 LYS HA 1.800 . 5.000 3.280 2.819 3.573 . 0 0 "[ . 1 . 2]" 1 462 1 41 PHE HZ 1 69 MET QB 1.800 . 5.000 4.482 4.174 4.724 . 0 0 "[ . 1 . 2]" 1 463 1 41 PHE HZ 1 69 MET ME 1.800 . 3.500 3.076 2.623 3.334 . 0 0 "[ . 1 . 2]" 1 464 1 41 PHE HZ 1 100 ILE QG 1.800 . 5.000 4.588 4.230 4.982 . 0 0 "[ . 1 . 2]" 1 465 1 41 PHE HZ 1 100 ILE MG 1.800 . 2.900 2.726 2.465 2.911 0.011 19 0 "[ . 1 . 2]" 1 466 1 42 GLY H 1 43 ARG H 1.800 . 3.500 2.532 2.454 2.595 . 0 0 "[ . 1 . 2]" 1 467 1 42 GLY H 1 63 LEU QD 1.800 . 6.000 3.781 2.804 4.214 . 0 0 "[ . 1 . 2]" 1 468 1 42 GLY H 1 64 TRP QB 1.800 . 5.000 3.699 3.535 3.838 . 0 0 "[ . 1 . 2]" 1 469 1 42 GLY QA 1 63 LEU MD1 1.800 . 5.000 3.236 2.619 3.578 . 0 0 "[ . 1 . 2]" 1 470 1 42 GLY QA 1 63 LEU MD2 1.800 . 5.000 3.396 2.329 4.129 . 0 0 "[ . 1 . 2]" 1 471 1 42 GLY HA2 1 43 ARG H 1.800 . 5.000 3.036 2.952 3.096 . 0 0 "[ . 1 . 2]" 1 472 1 42 GLY HA3 1 43 ARG H 1.800 . 5.000 3.485 3.449 3.531 . 0 0 "[ . 1 . 2]" 1 473 1 43 ARG H 1 43 ARG HA 1.800 . 2.900 2.976 2.957 2.992 0.092 16 0 "[ . 1 . 2]" 1 474 1 43 ARG H 1 43 ARG QB 1.800 . 3.500 2.691 2.577 2.781 . 0 0 "[ . 1 . 2]" 1 475 1 43 ARG H 1 43 ARG QD 1.800 . 5.000 4.454 3.868 4.928 . 0 0 "[ . 1 . 2]" 1 476 1 43 ARG H 1 43 ARG QG 1.800 . 5.000 3.100 2.706 4.132 . 0 0 "[ . 1 . 2]" 1 477 1 43 ARG H 1 62 VAL MG1 1.800 . 8.300 7.191 7.050 7.357 . 0 0 "[ . 1 . 2]" 1 478 1 43 ARG H 1 63 LEU MD1 1.800 . 6.000 3.056 2.268 4.753 . 0 0 "[ . 1 . 2]" 1 479 1 43 ARG H 1 63 LEU MD2 1.800 . 6.000 4.629 2.713 5.287 . 0 0 "[ . 1 . 2]" 1 480 1 43 ARG H 1 64 TRP H 1.800 . 5.000 3.258 2.833 3.537 . 0 0 "[ . 1 . 2]" 1 481 1 43 ARG H 1 64 TRP HB2 1.800 . 5.000 3.047 2.798 3.231 . 0 0 "[ . 1 . 2]" 1 482 1 43 ARG H 1 64 TRP HB3 1.800 . 6.300 4.307 3.963 4.532 . 0 0 "[ . 1 . 2]" 1 483 1 43 ARG H 1 64 TRP HD1 1.800 . 5.000 4.812 4.568 5.009 0.009 20 0 "[ . 1 . 2]" 1 484 1 43 ARG HA 1 43 ARG QD 1.800 . 5.000 3.605 2.144 4.199 . 0 0 "[ . 1 . 2]" 1 485 1 43 ARG HA 1 43 ARG QG 1.800 . 5.000 2.436 2.280 2.923 . 0 0 "[ . 1 . 2]" 1 486 1 43 ARG HA 1 44 HIS H 1.800 . 3.500 2.407 2.306 2.479 . 0 0 "[ . 1 . 2]" 1 487 1 43 ARG HA 1 64 TRP HD1 1.800 . 7.000 5.894 5.634 6.134 . 0 0 "[ . 1 . 2]" 1 488 1 43 ARG QB 1 44 HIS H 1.800 . 5.000 2.577 2.338 3.482 . 0 0 "[ . 1 . 2]" 1 489 1 43 ARG QB 1 64 TRP HD1 1.800 . 6.800 4.291 3.450 4.732 . 0 0 "[ . 1 . 2]" 1 490 1 43 ARG QD 1 44 HIS H 1.800 . 5.000 4.314 3.560 4.894 . 0 0 "[ . 1 . 2]" 1 491 1 43 ARG QD 1 47 GLN QB 1.800 . 5.000 3.644 2.240 4.227 . 0 0 "[ . 1 . 2]" 1 492 1 43 ARG QG 1 64 TRP HD1 1.800 . 6.800 6.042 4.701 6.609 . 0 0 "[ . 1 . 2]" 1 493 1 44 HIS H 1 44 HIS HA 1.800 . 2.900 2.962 2.947 2.987 0.087 12 0 "[ . 1 . 2]" 1 494 1 44 HIS H 1 45 SER H 1.800 . 5.000 4.592 4.437 4.627 . 0 0 "[ . 1 . 2]" 1 495 1 44 HIS H 1 47 GLN QB 1.800 . 5.000 3.961 2.399 4.811 . 0 0 "[ . 1 . 2]" 1 496 1 44 HIS H 1 47 GLN QE 1.800 . 5.000 4.715 3.853 5.060 0.060 1 0 "[ . 1 . 2]" 1 497 1 44 HIS H 1 63 LEU MD1 1.800 . 6.000 3.708 3.430 5.768 . 0 0 "[ . 1 . 2]" 1 498 1 44 HIS H 1 63 LEU MD2 1.800 . 6.000 5.890 5.048 6.022 0.022 20 0 "[ . 1 . 2]" 1 499 1 44 HIS HA 1 44 HIS HD2 1.800 . 5.000 3.209 2.668 3.284 . 0 0 "[ . 1 . 2]" 1 500 1 44 HIS HA 1 45 SER H 1.800 . 5.000 2.342 2.214 2.485 . 0 0 "[ . 1 . 2]" 1 501 1 44 HIS HA 1 63 LEU HA 1.800 . 5.300 2.471 2.284 2.865 . 0 0 "[ . 1 . 2]" 1 502 1 44 HIS HA 1 63 LEU QB 1.800 . 7.300 4.323 3.857 4.711 . 0 0 "[ . 1 . 2]" 1 503 1 44 HIS HA 1 63 LEU MD1 1.800 . 6.800 3.084 2.676 5.113 . 0 0 "[ . 1 . 2]" 1 504 1 44 HIS HA 1 63 LEU MD2 1.800 . 6.800 5.234 4.168 5.577 . 0 0 "[ . 1 . 2]" 1 505 1 44 HIS HA 1 63 LEU HG 1.800 . 6.000 4.799 3.350 5.191 . 0 0 "[ . 1 . 2]" 1 506 1 44 HIS HA 1 64 TRP H 1.800 . 5.000 3.049 2.758 3.535 . 0 0 "[ . 1 . 2]" 1 507 1 44 HIS HB2 1 45 SER H 1.800 . 5.000 3.875 3.595 4.386 . 0 0 "[ . 1 . 2]" 1 508 1 44 HIS HB3 1 45 SER H 1.800 . 5.000 2.773 2.397 3.780 . 0 0 "[ . 1 . 2]" 1 509 1 44 HIS HD2 1 61 ASN HA 1.800 . 6.800 6.047 4.478 6.822 0.022 16 0 "[ . 1 . 2]" 1 510 1 44 HIS HD2 1 62 VAL HA 1.800 . 6.300 4.448 3.914 4.849 . 0 0 "[ . 1 . 2]" 1 511 1 44 HIS HD2 1 62 VAL MG1 1.800 . 6.300 5.466 4.259 6.050 . 0 0 "[ . 1 . 2]" 1 512 1 44 HIS HD2 1 62 VAL MG2 1.800 . 6.300 5.327 4.803 5.672 . 0 0 "[ . 1 . 2]" 1 513 1 44 HIS HD2 1 63 LEU H 1.800 . 6.000 3.994 3.403 4.376 . 0 0 "[ . 1 . 2]" 1 514 1 44 HIS HD2 1 63 LEU QB 1.800 . 5.000 3.186 2.469 4.405 . 0 0 "[ . 1 . 2]" 1 515 1 44 HIS HD2 1 63 LEU MD1 1.800 . 6.000 3.152 2.868 4.319 . 0 0 "[ . 1 . 2]" 1 516 1 44 HIS HD2 1 63 LEU MD2 1.800 . 6.000 4.819 4.213 6.022 0.022 12 0 "[ . 1 . 2]" 1 517 1 44 HIS HE1 1 63 LEU QB 1.800 . 5.300 4.588 2.583 5.077 . 0 0 "[ . 1 . 2]" 1 518 1 44 HIS HE1 1 63 LEU MD1 1.800 . 6.000 3.110 2.504 3.712 . 0 0 "[ . 1 . 2]" 1 519 1 44 HIS HE1 1 63 LEU MD2 1.800 . 5.300 4.239 3.156 5.306 0.006 7 0 "[ . 1 . 2]" 1 520 1 45 SER H 1 45 SER HA 1.800 . 2.900 2.816 2.342 2.934 0.034 18 0 "[ . 1 . 2]" 1 521 1 45 SER H 1 46 GLY H 1.800 . 5.000 4.567 2.745 4.687 . 0 0 "[ . 1 . 2]" 1 522 1 45 SER H 1 61 ASN HA 1.800 . 6.000 4.585 3.816 5.113 . 0 0 "[ . 1 . 2]" 1 523 1 45 SER H 1 61 ASN HD22 1.800 . 5.000 2.319 1.782 4.958 0.018 17 0 "[ . 1 . 2]" 1 524 1 45 SER H 1 62 VAL MG1 1.800 . 6.000 3.999 3.626 4.705 . 0 0 "[ . 1 . 2]" 1 525 1 45 SER H 1 62 VAL MG2 1.800 . 6.800 5.621 5.341 6.058 . 0 0 "[ . 1 . 2]" 1 526 1 45 SER HA 1 46 GLY H 1.800 . 3.500 2.452 2.274 3.543 0.043 9 0 "[ . 1 . 2]" 1 527 1 45 SER HA 1 64 TRP HD1 1.800 . 6.300 3.269 2.610 4.948 . 0 0 "[ . 1 . 2]" 1 528 1 45 SER HA 1 64 TRP HE1 1.800 . 5.300 3.239 2.208 4.269 . 0 0 "[ . 1 . 2]" 1 529 1 45 SER QB 1 57 ASN QD 1.800 . 5.300 2.424 1.828 5.343 0.043 12 0 "[ . 1 . 2]" 1 530 1 45 SER QB 1 62 VAL H 1.800 . 6.000 3.505 2.608 5.336 . 0 0 "[ . 1 . 2]" 1 531 1 45 SER QB 1 62 VAL MG1 1.800 . 6.800 3.527 2.576 6.058 . 0 0 "[ . 1 . 2]" 1 532 1 45 SER QB 1 62 VAL MG2 1.800 . 8.000 5.657 4.899 7.542 . 0 0 "[ . 1 . 2]" 1 533 1 45 SER HB2 1 46 GLY QA 1.800 . 5.300 4.352 3.936 5.208 . 0 0 "[ . 1 . 2]" 1 534 1 45 SER HB3 1 46 GLY H 1.800 . 5.000 3.666 2.400 4.041 . 0 0 "[ . 1 . 2]" 1 535 1 46 GLY H 1 46 GLY HA2 1.800 . 2.900 2.481 2.375 2.928 0.028 12 0 "[ . 1 . 2]" 1 536 1 46 GLY H 1 46 GLY HA3 1.800 . 2.900 2.869 2.337 2.970 0.070 20 0 "[ . 1 . 2]" 1 537 1 46 GLY H 1 47 GLN H 1.800 . 5.000 2.665 2.376 3.912 . 0 0 "[ . 1 . 2]" 1 538 1 46 GLY H 1 57 ASN QD 1.800 . 5.000 5.007 4.794 5.080 0.080 4 0 "[ . 1 . 2]" 1 539 1 46 GLY H 1 61 ASN QD 1.800 . 6.300 4.331 2.634 4.903 . 0 0 "[ . 1 . 2]" 1 540 1 46 GLY H 1 64 TRP HD1 1.800 . 6.000 5.476 4.798 6.030 0.030 16 0 "[ . 1 . 2]" 1 541 1 46 GLY QA 1 47 GLN H 1.800 . 3.500 2.863 2.437 2.939 . 0 0 "[ . 1 . 2]" 1 542 1 46 GLY QA 1 48 ALA H 1.800 . 5.300 3.728 3.309 3.902 . 0 0 "[ . 1 . 2]" 1 543 1 46 GLY QA 1 53 TYR QB 1.800 . 5.000 4.116 3.676 4.578 . 0 0 "[ . 1 . 2]" 1 544 1 46 GLY QA 1 53 TYR QD 1.800 . 5.000 3.342 2.949 3.774 . 0 0 "[ . 1 . 2]" 1 545 1 46 GLY QA 1 58 ILE QG 1.800 . 5.000 4.832 4.551 5.082 0.082 17 0 "[ . 1 . 2]" 1 546 1 46 GLY QA 1 58 ILE MG 1.800 . 6.000 5.678 5.136 6.091 0.091 12 0 "[ . 1 . 2]" 1 547 1 47 GLN H 1 47 GLN HG2 1.800 . 5.000 4.481 3.914 4.658 . 0 0 "[ . 1 . 2]" 1 548 1 47 GLN H 1 47 GLN HG3 1.800 . 5.000 4.338 2.730 4.485 . 0 0 "[ . 1 . 2]" 1 549 1 47 GLN HA 1 47 GLN HG2 1.800 . 3.500 2.910 2.419 3.654 0.154 17 0 "[ . 1 . 2]" 1 550 1 47 GLN QG 1 49 GLU HB2 1.800 . 6.000 5.700 5.351 6.080 0.080 3 0 "[ . 1 . 2]" 1 551 1 47 GLN QG 1 49 GLU HB3 1.800 . 6.800 6.773 6.601 6.863 0.063 3 0 "[ . 1 . 2]" 1 552 1 47 GLN QG 1 49 GLU QG 1.800 . 5.000 4.099 3.926 4.307 . 0 0 "[ . 1 . 2]" 1 553 1 48 ALA H 1 48 ALA HA 1.800 . 2.900 2.845 2.817 2.894 . 0 0 "[ . 1 . 2]" 1 554 1 48 ALA H 1 48 ALA MB 1.800 . 2.900 2.187 2.096 2.262 . 0 0 "[ . 1 . 2]" 1 555 1 48 ALA HA 1 49 GLU H 1.800 . 3.500 2.991 2.229 3.556 0.056 4 0 "[ . 1 . 2]" 1 556 1 48 ALA MB 1 49 GLU H 1.800 . 3.500 2.922 2.392 3.705 0.205 2 0 "[ . 1 . 2]" 1 557 1 49 GLU H 1 49 GLU QG 1.800 . 3.500 2.536 2.126 2.805 . 0 0 "[ . 1 . 2]" 1 558 1 49 GLU H 1 50 GLY QA 1.800 . 6.000 4.875 4.535 5.418 . 0 0 "[ . 1 . 2]" 1 559 1 49 GLU HA 1 49 GLU QG 1.800 . 5.000 2.438 2.320 2.902 . 0 0 "[ . 1 . 2]" 1 560 1 50 GLY QA 1 51 TYR QD 1.800 . 6.000 5.350 5.264 5.451 . 0 0 "[ . 1 . 2]" 1 561 1 51 TYR QB 1 53 TYR QD 1.800 . 6.000 4.803 4.296 5.111 . 0 0 "[ . 1 . 2]" 1 562 1 51 TYR HE2 1 84 LYS HE2 1.800 . 5.000 4.993 4.777 5.062 0.062 11 0 "[ . 1 . 2]" 1 563 1 51 TYR HE2 1 84 LYS HE3 1.800 . 5.300 5.124 4.487 5.350 0.050 2 0 "[ . 1 . 2]" 1 564 1 53 TYR H 1 54 THR H 1.800 . 5.000 4.519 4.474 4.571 . 0 0 "[ . 1 . 2]" 1 565 1 53 TYR HA 1 54 THR H 1.800 . 5.000 2.281 2.231 2.389 . 0 0 "[ . 1 . 2]" 1 566 1 53 TYR HB2 1 54 THR H 1.800 . 5.000 4.093 3.935 4.283 . 0 0 "[ . 1 . 2]" 1 567 1 53 TYR HB3 1 54 THR H 1.800 . 5.000 2.937 2.641 3.162 . 0 0 "[ . 1 . 2]" 1 568 1 53 TYR QD 1 54 THR H 1.800 . 5.000 3.756 3.410 4.032 . 0 0 "[ . 1 . 2]" 1 569 1 53 TYR QD 1 57 ASN QB 1.800 . 5.000 2.921 2.642 3.489 . 0 0 "[ . 1 . 2]" 1 570 1 53 TYR QD 1 57 ASN HD21 1.800 . 5.300 5.190 4.392 5.411 0.111 16 0 "[ . 1 . 2]" 1 571 1 53 TYR QD 1 57 ASN HD22 1.800 . 6.300 5.037 4.073 5.424 . 0 0 "[ . 1 . 2]" 1 572 1 53 TYR QD 1 58 ILE MD 1.800 . 5.000 4.052 3.027 4.817 . 0 0 "[ . 1 . 2]" 1 573 1 53 TYR QD 1 58 ILE QG 1.800 . 5.300 3.846 3.483 4.235 . 0 0 "[ . 1 . 2]" 1 574 1 53 TYR QE 1 54 THR H 1.800 . 6.300 5.770 5.461 5.945 . 0 0 "[ . 1 . 2]" 1 575 1 54 THR H 1 54 THR MG 1.800 . 5.000 2.615 1.844 3.785 . 0 0 "[ . 1 . 2]" 1 576 1 54 THR H 1 55 ASP H 1.800 . 5.000 4.654 4.633 4.686 . 0 0 "[ . 1 . 2]" 1 577 1 54 THR H 1 57 ASN H 1.800 . 5.000 4.402 4.253 4.687 . 0 0 "[ . 1 . 2]" 1 578 1 54 THR H 1 57 ASN QB 1.800 . 5.000 3.770 3.375 4.084 . 0 0 "[ . 1 . 2]" 1 579 1 54 THR H 1 83 THR HB 1.800 . 6.000 5.488 4.728 6.033 0.033 20 0 "[ . 1 . 2]" 1 580 1 54 THR HA 1 54 THR MG 1.800 . 3.500 2.463 2.223 3.180 . 0 0 "[ . 1 . 2]" 1 581 1 54 THR HA 1 55 ASP H 1.800 . 3.500 2.364 2.271 2.450 . 0 0 "[ . 1 . 2]" 1 582 1 54 THR HB 1 55 ASP H 1.800 . 5.000 3.132 2.513 4.123 . 0 0 "[ . 1 . 2]" 1 583 1 54 THR MG 1 55 ASP H 1.800 . 5.000 3.293 1.885 3.976 . 0 0 "[ . 1 . 2]" 1 584 1 54 THR MG 1 83 THR HB 1.800 . 3.500 3.267 2.021 3.517 0.017 18 0 "[ . 1 . 2]" 1 585 1 54 THR MG 1 84 LYS H 1.800 . 5.000 3.254 2.549 4.233 . 0 0 "[ . 1 . 2]" 1 586 1 55 ASP H 1 55 ASP HA 1.800 . 2.900 2.814 2.778 2.837 . 0 0 "[ . 1 . 2]" 1 587 1 55 ASP H 1 55 ASP HB2 1.800 . 3.500 2.475 2.453 2.510 . 0 0 "[ . 1 . 2]" 1 588 1 55 ASP HA 1 55 ASP HB2 1.800 . 2.900 3.020 3.018 3.021 0.121 16 0 "[ . 1 . 2]" 1 589 1 55 ASP HA 1 55 ASP HB3 1.800 . 2.900 2.516 2.513 2.522 . 0 0 "[ . 1 . 2]" 1 590 1 55 ASP HA 1 56 ALA H 1.800 . 5.000 3.526 3.505 3.547 . 0 0 "[ . 1 . 2]" 1 591 1 55 ASP HA 1 58 ILE HB 1.800 . 2.900 2.310 2.259 2.473 . 0 0 "[ . 1 . 2]" 1 592 1 55 ASP HA 1 58 ILE MD 1.800 . 5.000 2.824 2.055 4.889 . 0 0 "[ . 1 . 2]" 1 593 1 55 ASP HA 1 59 LYS H 1.800 . 5.000 3.478 3.187 3.801 . 0 0 "[ . 1 . 2]" 1 594 1 55 ASP HA 1 59 LYS QB 1.800 . 5.000 4.265 3.736 5.018 0.018 5 0 "[ . 1 . 2]" 1 595 1 55 ASP HB2 1 56 ALA H 1.800 . 3.500 2.786 2.698 2.847 . 0 0 "[ . 1 . 2]" 1 596 1 55 ASP HB3 1 56 ALA H 1.800 . 5.000 3.726 3.651 3.786 . 0 0 "[ . 1 . 2]" 1 597 1 56 ALA H 1 56 ALA MB 1.800 . 2.900 2.140 2.047 2.256 . 0 0 "[ . 1 . 2]" 1 598 1 56 ALA H 1 57 ASN H 1.800 . 5.000 3.269 2.941 3.461 . 0 0 "[ . 1 . 2]" 1 599 1 56 ALA HA 1 57 ASN H 1.800 . 5.000 3.583 3.559 3.602 . 0 0 "[ . 1 . 2]" 1 600 1 56 ALA MB 1 57 ASN H 1.800 . 2.900 1.923 1.769 2.294 0.031 18 0 "[ . 1 . 2]" 1 601 1 56 ALA MB 1 80 ILE MG 1.800 . 5.000 2.634 1.933 3.988 . 0 0 "[ . 1 . 2]" 1 602 1 56 ALA MB 1 81 PRO QD 1.800 . 5.000 3.351 2.282 4.255 . 0 0 "[ . 1 . 2]" 1 603 1 56 ALA MB 1 82 GLY QA 1.800 . 5.000 2.980 2.007 4.975 . 0 0 "[ . 1 . 2]" 1 604 1 56 ALA MB 1 83 THR H 1.800 . 5.000 3.270 2.842 3.844 . 0 0 "[ . 1 . 2]" 1 605 1 56 ALA MB 1 83 THR HB 1.800 . 5.000 3.038 2.014 4.570 . 0 0 "[ . 1 . 2]" 1 606 1 57 ASN H 1 58 ILE H 1.800 . 5.000 2.874 2.786 2.949 . 0 0 "[ . 1 . 2]" 1 607 1 57 ASN H 1 59 LYS H 1.800 . 5.000 4.488 4.270 4.665 . 0 0 "[ . 1 . 2]" 1 608 1 57 ASN H 1 80 ILE MG 1.800 . 5.000 3.354 2.687 5.068 0.068 8 0 "[ . 1 . 2]" 1 609 1 57 ASN H 1 83 THR H 1.800 . 6.000 5.983 5.046 6.097 0.097 15 0 "[ . 1 . 2]" 1 610 1 57 ASN HA 1 80 ILE MD 1.800 . 5.000 3.517 2.022 5.056 0.056 9 0 "[ . 1 . 2]" 1 611 1 57 ASN QB 1 58 ILE QG 1.800 . 3.500 3.210 3.114 3.328 . 0 0 "[ . 1 . 2]" 1 612 1 57 ASN HB2 1 58 ILE H 1.800 . 5.000 3.897 3.824 3.957 . 0 0 "[ . 1 . 2]" 1 613 1 57 ASN HB3 1 58 ILE H 1.800 . 5.000 2.605 2.546 2.651 . 0 0 "[ . 1 . 2]" 1 614 1 57 ASN QD 1 62 VAL MG1 1.800 . 3.500 2.737 2.542 3.011 . 0 0 "[ . 1 . 2]" 1 615 1 57 ASN QD 1 62 VAL MG2 1.800 . 6.000 5.086 4.889 5.307 . 0 0 "[ . 1 . 2]" 1 616 1 57 ASN QD 1 80 ILE MD 1.800 . 5.300 3.093 1.735 4.876 0.065 5 0 "[ . 1 . 2]" 1 617 1 57 ASN HD21 1 62 VAL HA 1.800 . 6.800 6.733 6.259 6.847 0.047 17 0 "[ . 1 . 2]" 1 618 1 57 ASN HD21 1 64 TRP HH2 1.800 . 5.300 5.099 4.230 5.345 0.045 5 0 "[ . 1 . 2]" 1 619 1 57 ASN HD21 1 79 TYR HH 1.800 . 5.000 5.084 5.016 5.132 0.132 12 0 "[ . 1 . 2]" 1 620 1 57 ASN HD22 1 62 VAL HA 1.800 . 6.000 6.034 6.011 6.110 0.110 16 0 "[ . 1 . 2]" 1 621 1 57 ASN HD22 1 64 TRP HD1 1.800 . 5.300 5.175 4.912 5.376 0.076 11 0 "[ . 1 . 2]" 1 622 1 58 ILE H 1 58 ILE HB 1.800 . 2.900 2.533 2.489 2.597 . 0 0 "[ . 1 . 2]" 1 623 1 58 ILE H 1 58 ILE MD 1.800 . 3.500 3.383 2.938 3.502 0.002 5 0 "[ . 1 . 2]" 1 624 1 58 ILE H 1 58 ILE HG12 1.800 . 3.500 3.140 2.009 3.434 . 0 0 "[ . 1 . 2]" 1 625 1 58 ILE H 1 58 ILE HG13 1.800 . 3.500 2.233 1.887 3.569 0.069 17 0 "[ . 1 . 2]" 1 626 1 58 ILE H 1 58 ILE MG 1.800 . 3.500 3.748 3.743 3.752 0.252 12 0 "[ . 1 . 2]" 1 627 1 58 ILE H 1 59 LYS H 1.800 . 3.500 2.804 2.704 2.902 . 0 0 "[ . 1 . 2]" 1 628 1 58 ILE H 1 60 LYS H 1.800 . 5.000 4.072 3.922 4.394 . 0 0 "[ . 1 . 2]" 1 629 1 58 ILE HA 1 58 ILE MD 1.800 . 5.000 3.552 2.021 3.837 . 0 0 "[ . 1 . 2]" 1 630 1 58 ILE HA 1 58 ILE HG12 1.800 . 3.500 2.631 2.521 3.151 . 0 0 "[ . 1 . 2]" 1 631 1 58 ILE HA 1 58 ILE HG13 1.800 . 3.500 3.081 2.918 3.678 0.178 3 0 "[ . 1 . 2]" 1 632 1 58 ILE HA 1 58 ILE MG 1.800 . 3.500 2.303 2.276 2.341 . 0 0 "[ . 1 . 2]" 1 633 1 58 ILE HA 1 59 LYS H 1.800 . 5.000 3.576 3.550 3.590 . 0 0 "[ . 1 . 2]" 1 634 1 58 ILE HB 1 58 ILE MD 1.800 . 3.500 2.452 2.225 3.211 . 0 0 "[ . 1 . 2]" 1 635 1 58 ILE HB 1 59 LYS H 1.800 . 2.900 2.406 2.249 2.609 . 0 0 "[ . 1 . 2]" 1 636 1 58 ILE MD 1 59 LYS H 1.800 . 5.000 4.345 4.197 4.576 . 0 0 "[ . 1 . 2]" 1 637 1 58 ILE QG 1 59 LYS H 1.800 . 5.000 3.941 3.876 4.019 . 0 0 "[ . 1 . 2]" 1 638 1 58 ILE MG 1 59 LYS H 1.800 . 5.000 3.321 3.126 3.465 . 0 0 "[ . 1 . 2]" 1 639 1 59 LYS H 1 59 LYS QD 1.800 . 5.000 4.335 3.862 4.617 . 0 0 "[ . 1 . 2]" 1 640 1 59 LYS H 1 59 LYS HG2 1.800 . 5.000 4.339 3.361 4.667 . 0 0 "[ . 1 . 2]" 1 641 1 59 LYS H 1 59 LYS HG3 1.800 . 5.000 4.104 2.204 4.467 . 0 0 "[ . 1 . 2]" 1 642 1 59 LYS H 1 60 LYS H 1.800 . 5.000 2.681 2.633 2.802 . 0 0 "[ . 1 . 2]" 1 643 1 59 LYS HA 1 59 LYS QD 1.800 . 5.000 3.885 2.211 3.988 . 0 0 "[ . 1 . 2]" 1 644 1 59 LYS HA 1 60 LYS H 1.800 . 5.000 3.540 3.520 3.586 . 0 0 "[ . 1 . 2]" 1 645 1 59 LYS HB2 1 60 LYS H 1.800 . 5.000 3.674 2.698 3.880 . 0 0 "[ . 1 . 2]" 1 646 1 59 LYS HB3 1 60 LYS H 1.800 . 5.000 2.762 2.257 3.742 . 0 0 "[ . 1 . 2]" 1 647 1 59 LYS QD 1 60 LYS H 1.800 . 5.000 4.614 4.124 5.069 0.069 20 0 "[ . 1 . 2]" 1 648 1 60 LYS H 1 60 LYS QG 1.800 . 5.000 3.903 2.545 4.130 . 0 0 "[ . 1 . 2]" 1 649 1 60 LYS HA 1 60 LYS QG 1.800 . 3.500 2.384 2.260 2.736 . 0 0 "[ . 1 . 2]" 1 650 1 60 LYS HB2 1 80 ILE MG 1.800 . 6.000 5.332 2.996 6.202 0.202 13 0 "[ . 1 . 2]" 1 651 1 60 LYS HB3 1 80 ILE MG 1.800 . 6.000 4.396 3.255 5.847 . 0 0 "[ . 1 . 2]" 1 652 1 60 LYS QG 1 79 TYR QD 1.800 . 6.000 6.004 5.263 6.098 0.098 1 0 "[ . 1 . 2]" 1 653 1 61 ASN HA 1 62 VAL H 1.800 . 5.000 2.210 2.159 2.246 . 0 0 "[ . 1 . 2]" 1 654 1 61 ASN HA 1 62 VAL MG1 1.800 . 5.300 3.669 3.555 3.784 . 0 0 "[ . 1 . 2]" 1 655 1 61 ASN HA 1 62 VAL MG2 1.800 . 6.000 5.451 5.411 5.545 . 0 0 "[ . 1 . 2]" 1 656 1 61 ASN HB2 1 62 VAL H 1.800 . 5.000 4.328 4.197 4.597 . 0 0 "[ . 1 . 2]" 1 657 1 61 ASN HB3 1 62 VAL H 1.800 . 5.000 3.911 3.020 4.153 . 0 0 "[ . 1 . 2]" 1 658 1 62 VAL H 1 62 VAL MG1 1.800 . 5.000 1.936 1.822 2.065 . 0 0 "[ . 1 . 2]" 1 659 1 62 VAL H 1 62 VAL MG2 1.800 . 5.000 3.891 3.854 3.916 . 0 0 "[ . 1 . 2]" 1 660 1 62 VAL H 1 63 LEU H 1.800 . 5.300 4.459 4.445 4.493 . 0 0 "[ . 1 . 2]" 1 661 1 62 VAL HA 1 62 VAL MG1 1.800 . 5.000 3.177 3.172 3.186 . 0 0 "[ . 1 . 2]" 1 662 1 62 VAL HA 1 62 VAL MG2 1.800 . 5.000 2.288 2.228 2.362 . 0 0 "[ . 1 . 2]" 1 663 1 62 VAL HA 1 63 LEU H 1.800 . 3.500 2.287 2.273 2.319 . 0 0 "[ . 1 . 2]" 1 664 1 62 VAL MG1 1 63 LEU H 1.800 . 5.000 3.698 3.612 3.746 . 0 0 "[ . 1 . 2]" 1 665 1 62 VAL MG1 1 64 TRP H 1.800 . 5.000 4.531 4.389 4.717 . 0 0 "[ . 1 . 2]" 1 666 1 62 VAL MG1 1 64 TRP HD1 1.800 . 6.000 4.152 3.634 4.692 . 0 0 "[ . 1 . 2]" 1 667 1 62 VAL MG1 1 64 TRP HZ3 1.800 . 5.000 4.366 3.661 4.742 . 0 0 "[ . 1 . 2]" 1 668 1 62 VAL MG1 1 68 ASN HB3 1.800 . 6.000 4.955 4.517 5.379 . 0 0 "[ . 1 . 2]" 1 669 1 62 VAL MG1 1 68 ASN HD21 1.800 . 3.500 3.065 2.580 3.466 . 0 0 "[ . 1 . 2]" 1 670 1 62 VAL MG1 1 68 ASN HD22 1.800 . 3.500 2.273 1.784 3.015 0.016 15 0 "[ . 1 . 2]" 1 671 1 62 VAL MG1 1 79 TYR QD 1.800 . 6.000 4.277 3.841 4.626 . 0 0 "[ . 1 . 2]" 1 672 1 62 VAL MG1 1 79 TYR QE 1.800 . 5.000 2.533 2.181 2.992 . 0 0 "[ . 1 . 2]" 1 673 1 62 VAL MG1 1 79 TYR HH 1.800 . 3.500 1.842 1.738 2.142 0.062 2 0 "[ . 1 . 2]" 1 674 1 62 VAL MG2 1 63 LEU H 1.800 . 5.000 2.126 1.865 2.227 . 0 0 "[ . 1 . 2]" 1 675 1 62 VAL MG2 1 64 TRP H 1.800 . 5.300 4.680 4.605 4.835 . 0 0 "[ . 1 . 2]" 1 676 1 62 VAL MG2 1 64 TRP HD1 1.800 . 6.300 5.559 5.189 6.164 . 0 0 "[ . 1 . 2]" 1 677 1 62 VAL MG2 1 64 TRP HH2 1.800 . 6.000 5.233 4.918 5.559 . 0 0 "[ . 1 . 2]" 1 678 1 62 VAL MG2 1 64 TRP HZ3 1.800 . 5.300 5.184 4.655 5.349 0.049 17 0 "[ . 1 . 2]" 1 679 1 62 VAL MG2 1 68 ASN H 1.800 . 6.300 5.901 5.561 6.208 . 0 0 "[ . 1 . 2]" 1 680 1 62 VAL MG2 1 68 ASN HB2 1.800 . 6.000 3.964 3.633 4.415 . 0 0 "[ . 1 . 2]" 1 681 1 62 VAL MG2 1 68 ASN HD21 1.800 . 3.500 2.810 2.395 3.195 . 0 0 "[ . 1 . 2]" 1 682 1 62 VAL MG2 1 68 ASN HD22 1.800 . 3.500 1.860 1.708 2.258 0.092 17 0 "[ . 1 . 2]" 1 683 1 62 VAL MG2 1 79 TYR QD 1.800 . 6.000 4.626 3.955 5.556 . 0 0 "[ . 1 . 2]" 1 684 1 62 VAL MG2 1 79 TYR QE 1.800 . 5.000 2.884 2.175 3.935 . 0 0 "[ . 1 . 2]" 1 685 1 62 VAL MG2 1 79 TYR HH 1.800 . 5.000 2.905 2.516 3.462 . 0 0 "[ . 1 . 2]" 1 686 1 63 LEU H 1 63 LEU QB 1.800 . 3.500 2.288 2.251 2.305 . 0 0 "[ . 1 . 2]" 1 687 1 63 LEU H 1 63 LEU MD1 1.800 . 5.000 4.106 4.050 4.305 . 0 0 "[ . 1 . 2]" 1 688 1 63 LEU H 1 63 LEU MD2 1.800 . 5.000 4.262 4.105 4.334 . 0 0 "[ . 1 . 2]" 1 689 1 63 LEU H 1 63 LEU HG 1.800 . 5.300 4.419 4.405 4.445 . 0 0 "[ . 1 . 2]" 1 690 1 63 LEU H 1 79 TYR HH 1.800 . 6.000 5.837 5.502 6.047 0.047 15 0 "[ . 1 . 2]" 1 691 1 63 LEU HA 1 63 LEU MD1 1.800 . 5.000 2.279 2.101 3.685 . 0 0 "[ . 1 . 2]" 1 692 1 63 LEU HA 1 63 LEU MD2 1.800 . 5.000 3.747 2.926 3.875 . 0 0 "[ . 1 . 2]" 1 693 1 63 LEU HA 1 64 TRP H 1.800 . 3.500 2.221 2.208 2.239 . 0 0 "[ . 1 . 2]" 1 694 1 63 LEU HA 1 64 TRP HD1 1.800 . 5.000 4.235 3.943 4.621 . 0 0 "[ . 1 . 2]" 1 695 1 63 LEU HA 1 64 TRP HE3 1.800 . 7.000 6.705 6.357 6.887 . 0 0 "[ . 1 . 2]" 1 696 1 63 LEU QB 1 63 LEU MD1 1.800 . 5.000 2.174 2.048 2.192 . 0 0 "[ . 1 . 2]" 1 697 1 63 LEU QB 1 63 LEU MD2 1.800 . 5.000 2.082 2.061 2.155 . 0 0 "[ . 1 . 2]" 1 698 1 63 LEU QB 1 64 TRP H 1.800 . 5.000 3.747 3.716 3.787 . 0 0 "[ . 1 . 2]" 1 699 1 63 LEU MD1 1 64 TRP H 1.800 . 6.000 2.520 2.216 4.493 . 0 0 "[ . 1 . 2]" 1 700 1 63 LEU MD1 1 65 ASP H 1.800 . 5.300 5.374 5.343 5.497 0.197 19 0 "[ . 1 . 2]" 1 701 1 63 LEU MD2 1 64 TRP H 1.800 . 6.000 4.137 2.252 4.429 . 0 0 "[ . 1 . 2]" 1 702 1 63 LEU MD2 1 65 ASP H 1.800 . 5.300 5.106 3.076 5.368 0.068 18 0 "[ . 1 . 2]" 1 703 1 63 LEU HG 1 64 TRP H 1.800 . 6.000 2.874 2.771 3.150 . 0 0 "[ . 1 . 2]" 1 704 1 64 TRP H 1 64 TRP HB2 1.800 . 3.500 2.398 2.351 2.433 . 0 0 "[ . 1 . 2]" 1 705 1 64 TRP H 1 64 TRP HZ2 1.800 . 7.000 6.991 6.890 7.076 0.076 20 0 "[ . 1 . 2]" 1 706 1 64 TRP H 1 69 MET ME 1.800 . 5.300 5.321 5.236 5.438 0.138 13 0 "[ . 1 . 2]" 1 707 1 64 TRP HA 1 65 ASP H 1.800 . 5.000 2.142 2.118 2.175 . 0 0 "[ . 1 . 2]" 1 708 1 64 TRP HA 1 79 TYR HH 1.800 . 5.000 4.715 4.131 5.037 0.037 13 0 "[ . 1 . 2]" 1 709 1 64 TRP QB 1 65 ASP H 1.800 . 5.000 3.292 3.168 3.562 . 0 0 "[ . 1 . 2]" 1 710 1 64 TRP HB2 1 64 TRP HD1 1.800 . 3.500 2.556 2.535 2.589 . 0 0 "[ . 1 . 2]" 1 711 1 64 TRP HD1 1 69 MET ME 1.800 . 5.000 5.090 5.011 5.190 0.190 17 0 "[ . 1 . 2]" 1 712 1 64 TRP HE1 1 68 ASN HD21 1.800 . 6.000 5.712 5.062 6.056 0.056 17 0 "[ . 1 . 2]" 1 713 1 64 TRP HE1 1 68 ASN HD22 1.800 . 6.300 5.788 4.712 6.311 0.011 17 0 "[ . 1 . 2]" 1 714 1 64 TRP HE3 1 68 ASN HD21 1.800 . 6.000 2.767 2.176 3.569 . 0 0 "[ . 1 . 2]" 1 715 1 64 TRP HE3 1 68 ASN HD22 1.800 . 5.000 4.008 3.627 4.849 . 0 0 "[ . 1 . 2]" 1 716 1 64 TRP HE3 1 69 MET H 1.800 . 5.000 4.054 3.714 4.335 . 0 0 "[ . 1 . 2]" 1 717 1 64 TRP HE3 1 69 MET HA 1.800 . 3.500 3.099 2.346 3.511 0.011 11 0 "[ . 1 . 2]" 1 718 1 64 TRP HE3 1 69 MET QB 1.800 . 5.000 4.018 2.553 4.604 . 0 0 "[ . 1 . 2]" 1 719 1 64 TRP HE3 1 69 MET ME 1.800 . 5.000 2.782 2.333 3.300 . 0 0 "[ . 1 . 2]" 1 720 1 64 TRP HH2 1 72 HIS HE1 1.800 . 6.000 3.250 2.776 3.840 . 0 0 "[ . 1 . 2]" 1 721 1 64 TRP HH2 1 79 TYR QD 1.800 . 6.000 3.876 3.375 4.199 . 0 0 "[ . 1 . 2]" 1 722 1 64 TRP HH2 1 79 TYR QE 1.800 . 5.000 2.386 2.251 3.214 . 0 0 "[ . 1 . 2]" 1 723 1 64 TRP HZ2 1 72 HIS HE1 1.800 . 6.000 4.680 4.371 5.308 . 0 0 "[ . 1 . 2]" 1 724 1 64 TRP HZ2 1 79 TYR QD 1.800 . 5.000 4.919 4.315 5.129 0.129 20 0 "[ . 1 . 2]" 1 725 1 64 TRP HZ2 1 79 TYR QE 1.800 . 5.000 2.943 2.463 3.385 . 0 0 "[ . 1 . 2]" 1 726 1 64 TRP HZ2 1 79 TYR HH 1.800 . 5.000 3.184 2.659 3.695 . 0 0 "[ . 1 . 2]" 1 727 1 64 TRP HZ3 1 69 MET HA 1.800 . 3.500 2.709 2.279 3.139 . 0 0 "[ . 1 . 2]" 1 728 1 64 TRP HZ3 1 69 MET ME 1.800 . 5.000 4.364 3.869 5.003 0.003 11 0 "[ . 1 . 2]" 1 729 1 64 TRP HZ3 1 72 HIS HD2 1.800 . 5.000 3.921 3.462 4.556 . 0 0 "[ . 1 . 2]" 1 730 1 64 TRP HZ3 1 79 TYR HH 1.800 . 5.300 3.316 2.545 3.885 . 0 0 "[ . 1 . 2]" 1 731 1 65 ASP H 1 68 ASN H 1.800 . 5.000 3.426 3.167 3.747 . 0 0 "[ . 1 . 2]" 1 732 1 65 ASP H 1 68 ASN HD21 1.800 . 5.000 3.215 2.948 3.416 . 0 0 "[ . 1 . 2]" 1 733 1 65 ASP H 1 68 ASN HD22 1.800 . 5.000 4.819 4.568 5.044 0.044 13 0 "[ . 1 . 2]" 1 734 1 65 ASP H 1 69 MET ME 1.800 . 6.000 3.667 3.337 4.029 . 0 0 "[ . 1 . 2]" 1 735 1 65 ASP HA 1 66 GLU H 1.800 . 5.000 2.569 2.460 2.770 . 0 0 "[ . 1 . 2]" 1 736 1 65 ASP HB2 1 66 GLU H 1.800 . 5.000 3.281 2.079 3.982 . 0 0 "[ . 1 . 2]" 1 737 1 65 ASP HB3 1 66 GLU H 1.800 . 5.000 3.435 2.138 3.749 . 0 0 "[ . 1 . 2]" 1 738 1 66 GLU H 1 66 GLU QG 1.800 . 5.000 2.062 1.984 2.120 . 0 0 "[ . 1 . 2]" 1 739 1 66 GLU H 1 67 ASN H 1.800 . 5.000 2.788 2.716 2.841 . 0 0 "[ . 1 . 2]" 1 740 1 66 GLU H 1 68 ASN H 1.800 . 5.000 4.453 4.243 4.668 . 0 0 "[ . 1 . 2]" 1 741 1 66 GLU H 1 100 ILE MD 1.800 . 6.000 5.670 5.326 6.027 0.027 10 0 "[ . 1 . 2]" 1 742 1 66 GLU H 1 100 ILE MG 1.800 . 5.000 4.655 4.234 5.071 0.071 13 0 "[ . 1 . 2]" 1 743 1 66 GLU HA 1 66 GLU QG 1.800 . 5.000 2.379 2.338 2.901 . 0 0 "[ . 1 . 2]" 1 744 1 66 GLU HA 1 67 ASN H 1.800 . 5.000 3.559 3.538 3.573 . 0 0 "[ . 1 . 2]" 1 745 1 66 GLU HA 1 68 ASN H 1.800 . 5.000 4.873 4.713 5.117 0.117 13 0 "[ . 1 . 2]" 1 746 1 66 GLU HA 1 69 MET H 1.800 . 5.000 3.807 3.627 3.999 . 0 0 "[ . 1 . 2]" 1 747 1 66 GLU HA 1 69 MET HB2 1.800 . 5.000 3.086 2.737 3.877 . 0 0 "[ . 1 . 2]" 1 748 1 66 GLU HA 1 69 MET QB 1.800 . 3.500 2.882 2.685 3.276 . 0 0 "[ . 1 . 2]" 1 749 1 66 GLU HA 1 69 MET HB3 1.800 . 5.000 4.182 2.805 4.952 . 0 0 "[ . 1 . 2]" 1 750 1 66 GLU HA 1 70 SER H 1.800 . 5.000 4.407 4.056 4.570 . 0 0 "[ . 1 . 2]" 1 751 1 66 GLU HA 1 100 ILE MG 1.800 . 3.500 2.417 2.104 2.792 . 0 0 "[ . 1 . 2]" 1 752 1 66 GLU HB2 1 67 ASN H 1.800 . 5.000 2.623 2.548 2.725 . 0 0 "[ . 1 . 2]" 1 753 1 66 GLU HB2 1 100 ILE MG 1.800 . 5.000 4.318 3.872 4.811 . 0 0 "[ . 1 . 2]" 1 754 1 66 GLU HB3 1 67 ASN H 1.800 . 5.000 3.663 3.591 3.736 . 0 0 "[ . 1 . 2]" 1 755 1 66 GLU HB3 1 100 ILE MG 1.800 . 5.000 3.038 2.558 3.662 . 0 0 "[ . 1 . 2]" 1 756 1 66 GLU QG 1 67 ASN H 1.800 . 5.000 4.034 3.992 4.079 . 0 0 "[ . 1 . 2]" 1 757 1 67 ASN H 1 67 ASN HB2 1.800 . 3.500 2.782 2.546 3.582 0.082 18 0 "[ . 1 . 2]" 1 758 1 67 ASN H 1 67 ASN HB3 1.800 . 3.500 2.593 2.255 3.467 . 0 0 "[ . 1 . 2]" 1 759 1 67 ASN H 1 68 ASN H 1.800 . 3.500 2.692 2.553 2.783 . 0 0 "[ . 1 . 2]" 1 760 1 67 ASN H 1 69 MET H 1.800 . 5.000 4.056 3.882 4.222 . 0 0 "[ . 1 . 2]" 1 761 1 67 ASN HA 1 67 ASN HD21 1.800 . 5.000 4.061 3.976 4.236 . 0 0 "[ . 1 . 2]" 1 762 1 67 ASN HA 1 67 ASN HD22 1.800 . 5.000 4.532 4.376 5.096 0.096 1 0 "[ . 1 . 2]" 1 763 1 67 ASN HA 1 68 ASN H 1.800 . 5.000 3.571 3.563 3.581 . 0 0 "[ . 1 . 2]" 1 764 1 67 ASN HA 1 69 MET H 1.800 . 5.000 4.483 4.343 4.636 . 0 0 "[ . 1 . 2]" 1 765 1 67 ASN HA 1 70 SER H 1.800 . 5.000 3.656 3.449 3.765 . 0 0 "[ . 1 . 2]" 1 766 1 67 ASN HA 1 71 GLU H 1.800 . 5.000 4.749 4.466 4.884 . 0 0 "[ . 1 . 2]" 1 767 1 67 ASN HB2 1 68 ASN H 1.800 . 5.000 3.633 2.561 3.874 . 0 0 "[ . 1 . 2]" 1 768 1 67 ASN HB3 1 68 ASN H 1.800 . 5.000 2.653 2.169 4.055 . 0 0 "[ . 1 . 2]" 1 769 1 67 ASN QD 1 68 ASN QB 1.800 . 3.500 3.556 3.417 3.579 0.079 16 0 "[ . 1 . 2]" 1 770 1 68 ASN H 1 69 MET H 1.800 . 5.000 2.764 2.711 2.824 . 0 0 "[ . 1 . 2]" 1 771 1 68 ASN H 1 70 SER H 1.800 . 5.000 4.303 4.190 4.410 . 0 0 "[ . 1 . 2]" 1 772 1 68 ASN HA 1 69 MET H 1.800 . 3.500 3.555 3.541 3.567 0.067 8 0 "[ . 1 . 2]" 1 773 1 68 ASN HA 1 71 GLU H 1.800 . 3.500 3.378 3.206 3.507 0.007 8 0 "[ . 1 . 2]" 1 774 1 68 ASN HB2 1 69 MET H 1.800 . 5.000 3.831 3.750 3.874 . 0 0 "[ . 1 . 2]" 1 775 1 68 ASN HB3 1 69 MET H 1.800 . 5.000 2.623 2.543 2.726 . 0 0 "[ . 1 . 2]" 1 776 1 68 ASN QD 1 69 MET H 1.800 . 5.000 4.040 3.693 4.631 . 0 0 "[ . 1 . 2]" 1 777 1 68 ASN QD 1 69 MET ME 1.800 . 6.000 4.708 4.278 5.139 . 0 0 "[ . 1 . 2]" 1 778 1 68 ASN HD21 1 79 TYR HH 1.800 . 5.000 3.192 2.963 3.630 . 0 0 "[ . 1 . 2]" 1 779 1 68 ASN HD22 1 72 HIS QB 1.800 . 5.000 4.312 3.686 4.926 . 0 0 "[ . 1 . 2]" 1 780 1 68 ASN HD22 1 79 TYR HH 1.800 . 5.000 2.213 1.785 2.934 0.015 5 0 "[ . 1 . 2]" 1 781 1 69 MET H 1 69 MET ME 1.800 . 5.000 4.333 4.103 4.721 . 0 0 "[ . 1 . 2]" 1 782 1 69 MET H 1 69 MET QG 1.800 . 5.000 2.638 2.247 4.083 . 0 0 "[ . 1 . 2]" 1 783 1 69 MET H 1 70 SER H 1.800 . 5.000 2.751 2.703 2.797 . 0 0 "[ . 1 . 2]" 1 784 1 69 MET H 1 71 GLU H 1.800 . 5.000 4.246 4.058 4.377 . 0 0 "[ . 1 . 2]" 1 785 1 69 MET H 1 72 HIS H 1.800 . 5.000 4.802 4.649 5.025 0.025 18 0 "[ . 1 . 2]" 1 786 1 69 MET HA 1 69 MET ME 1.800 . 5.000 4.123 3.558 4.421 . 0 0 "[ . 1 . 2]" 1 787 1 69 MET HA 1 72 HIS QB 1.800 . 5.000 2.597 2.294 3.026 . 0 0 "[ . 1 . 2]" 1 788 1 69 MET HA 1 73 LEU H 1.800 . 5.000 4.414 3.876 4.747 . 0 0 "[ . 1 . 2]" 1 789 1 69 MET QB 1 70 SER H 1.800 . 3.500 2.617 2.540 2.681 . 0 0 "[ . 1 . 2]" 1 790 1 69 MET HB2 1 69 MET ME 1.800 . 5.000 3.683 2.131 4.173 . 0 0 "[ . 1 . 2]" 1 791 1 69 MET HB3 1 69 MET ME 1.800 . 5.000 3.779 3.057 4.006 . 0 0 "[ . 1 . 2]" 1 792 1 69 MET ME 1 70 SER H 1.800 . 6.000 5.923 5.276 6.107 0.107 4 0 "[ . 1 . 2]" 1 793 1 69 MET ME 1 73 LEU QD 1.800 . 6.000 5.269 4.437 5.796 . 0 0 "[ . 1 . 2]" 1 794 1 69 MET ME 1 100 ILE MD 1.800 . 6.000 5.259 4.851 5.525 . 0 0 "[ . 1 . 2]" 1 795 1 69 MET ME 1 100 ILE MG 1.800 . 4.300 3.993 3.726 4.297 . 0 0 "[ . 1 . 2]" 1 796 1 69 MET ME 1 103 LEU QD 1.800 . 3.500 3.458 3.202 3.532 0.032 5 0 "[ . 1 . 2]" 1 797 1 69 MET ME 1 104 LYS H 1.800 . 6.000 6.039 5.971 6.085 0.085 13 0 "[ . 1 . 2]" 1 798 1 69 MET QG 1 100 ILE MG 1.800 . 3.500 3.373 2.642 3.643 0.143 9 0 "[ . 1 . 2]" 1 799 1 70 SER H 1 71 GLU H 1.800 . 3.500 2.707 2.607 2.785 . 0 0 "[ . 1 . 2]" 1 800 1 70 SER H 1 72 HIS H 1.800 . 5.000 4.078 3.927 4.237 . 0 0 "[ . 1 . 2]" 1 801 1 70 SER H 1 73 LEU QD 1.800 . 5.000 4.662 4.326 5.054 0.054 19 0 "[ . 1 . 2]" 1 802 1 70 SER H 1 100 ILE MD 1.800 . 3.500 2.558 2.264 2.956 . 0 0 "[ . 1 . 2]" 1 803 1 70 SER H 1 100 ILE MG 1.800 . 5.000 4.258 3.995 4.595 . 0 0 "[ . 1 . 2]" 1 804 1 70 SER HA 1 71 GLU H 1.800 . 5.000 3.553 3.525 3.571 . 0 0 "[ . 1 . 2]" 1 805 1 70 SER HA 1 73 LEU MD1 1.800 . 5.000 3.208 2.657 3.897 . 0 0 "[ . 1 . 2]" 1 806 1 70 SER HA 1 73 LEU MD2 1.800 . 5.000 4.299 2.829 5.052 0.052 12 0 "[ . 1 . 2]" 1 807 1 70 SER HA 1 96 ARG QD 1.800 . 2.900 2.466 2.213 2.954 0.054 7 0 "[ . 1 . 2]" 1 808 1 70 SER QB 1 71 GLU H 1.800 . 5.000 2.976 2.434 3.488 . 0 0 "[ . 1 . 2]" 1 809 1 70 SER HB2 1 96 ARG QD 1.800 . 5.000 3.325 2.077 4.684 . 0 0 "[ . 1 . 2]" 1 810 1 70 SER HB2 1 100 ILE MD 1.800 . 3.500 3.360 2.542 3.586 0.086 5 0 "[ . 1 . 2]" 1 811 1 70 SER HB3 1 96 ARG QD 1.800 . 3.500 3.262 2.682 3.565 0.065 1 0 "[ . 1 . 2]" 1 812 1 70 SER HB3 1 100 ILE MD 1.800 . 3.500 2.745 2.026 3.524 0.024 7 0 "[ . 1 . 2]" 1 813 1 71 GLU H 1 71 GLU HB2 1.800 . 3.500 2.478 2.429 2.545 . 0 0 "[ . 1 . 2]" 1 814 1 71 GLU H 1 71 GLU HB3 1.800 . 3.500 3.200 2.588 3.604 0.104 14 0 "[ . 1 . 2]" 1 815 1 71 GLU H 1 71 GLU HG2 1.800 . 5.000 3.667 2.177 4.673 . 0 0 "[ . 1 . 2]" 1 816 1 71 GLU H 1 71 GLU HG3 1.800 . 5.000 3.321 2.142 4.473 . 0 0 "[ . 1 . 2]" 1 817 1 71 GLU H 1 72 HIS H 1.800 . 5.000 2.592 2.533 2.674 . 0 0 "[ . 1 . 2]" 1 818 1 71 GLU HA 1 72 HIS H 1.800 . 5.000 3.529 3.509 3.552 . 0 0 "[ . 1 . 2]" 1 819 1 71 GLU HB2 1 72 HIS H 1.800 . 5.000 3.200 2.700 3.942 . 0 0 "[ . 1 . 2]" 1 820 1 71 GLU HB3 1 72 HIS H 1.800 . 5.000 3.320 2.663 3.773 . 0 0 "[ . 1 . 2]" 1 821 1 71 GLU HG2 1 72 HIS H 1.800 . 5.000 4.514 3.899 5.018 0.018 5 0 "[ . 1 . 2]" 1 822 1 71 GLU HG3 1 72 HIS H 1.800 . 5.000 4.606 3.922 5.053 0.053 15 0 "[ . 1 . 2]" 1 823 1 72 HIS H 1 72 HIS HD2 1.800 . 5.300 5.321 5.208 5.384 0.084 16 0 "[ . 1 . 2]" 1 824 1 72 HIS H 1 73 LEU H 1.800 . 3.500 2.793 2.753 2.908 . 0 0 "[ . 1 . 2]" 1 825 1 72 HIS H 1 73 LEU QB 1.800 . 5.000 4.752 4.565 4.897 . 0 0 "[ . 1 . 2]" 1 826 1 72 HIS H 1 73 LEU QD 1.800 . 5.000 4.206 3.500 4.763 . 0 0 "[ . 1 . 2]" 1 827 1 72 HIS HA 1 73 LEU H 1.800 . 3.500 3.561 3.550 3.575 0.075 5 0 "[ . 1 . 2]" 1 828 1 72 HIS HA 1 74 THR H 1.800 . 5.000 4.239 4.060 4.528 . 0 0 "[ . 1 . 2]" 1 829 1 72 HIS HA 1 79 TYR QD 1.800 . 5.300 2.967 2.263 3.734 . 0 0 "[ . 1 . 2]" 1 830 1 72 HIS QB 1 73 LEU H 1.800 . 3.500 2.397 2.324 2.497 . 0 0 "[ . 1 . 2]" 1 831 1 72 HIS HB2 1 73 LEU QD 1.800 . 5.000 4.213 3.551 4.850 . 0 0 "[ . 1 . 2]" 1 832 1 72 HIS HB3 1 73 LEU QD 1.800 . 5.000 2.826 2.116 3.553 . 0 0 "[ . 1 . 2]" 1 833 1 72 HIS HD1 1 79 TYR H 1.800 . 6.000 5.673 5.228 6.042 0.042 11 0 "[ . 1 . 2]" 1 834 1 72 HIS HD1 1 80 ILE H 1.800 . 7.300 5.106 4.610 5.797 . 0 0 "[ . 1 . 2]" 1 835 1 72 HIS HD2 1 79 TYR HH 1.800 . 6.300 6.390 6.326 6.436 0.136 4 0 "[ . 1 . 2]" 1 836 1 72 HIS HE1 1 79 TYR QE 1.800 . 3.500 3.462 3.045 3.618 0.118 13 0 "[ . 1 . 2]" 1 837 1 72 HIS HE1 1 80 ILE MG 1.800 . 3.500 3.179 2.003 3.588 0.088 7 0 "[ . 1 . 2]" 1 838 1 72 HIS HE1 1 85 MET ME 1.800 . 3.500 2.821 2.110 3.522 0.022 15 0 "[ . 1 . 2]" 1 839 1 73 LEU H 1 73 LEU HB2 1.800 . 3.500 2.427 2.242 2.619 . 0 0 "[ . 1 . 2]" 1 840 1 73 LEU H 1 73 LEU HB3 1.800 . 3.500 3.589 3.549 3.607 0.107 6 0 "[ . 1 . 2]" 1 841 1 73 LEU H 1 73 LEU MD1 1.800 . 6.000 2.760 1.756 3.653 0.044 18 0 "[ . 1 . 2]" 1 842 1 73 LEU H 1 73 LEU MD2 1.800 . 5.000 3.342 2.721 3.826 . 0 0 "[ . 1 . 2]" 1 843 1 73 LEU H 1 73 LEU HG 1.800 . 5.000 2.848 1.998 3.987 . 0 0 "[ . 1 . 2]" 1 844 1 73 LEU HA 1 73 LEU MD1 1.800 . 5.000 3.150 2.200 3.828 . 0 0 "[ . 1 . 2]" 1 845 1 73 LEU HA 1 73 LEU MD2 1.800 . 5.000 2.825 2.026 3.797 . 0 0 "[ . 1 . 2]" 1 846 1 73 LEU HA 1 74 THR H 1.800 . 5.000 3.516 3.468 3.548 . 0 0 "[ . 1 . 2]" 1 847 1 73 LEU HA 1 76 PRO QB 1.800 . 5.000 3.755 3.264 4.385 . 0 0 "[ . 1 . 2]" 1 848 1 73 LEU HA 1 76 PRO QD 1.800 . 3.500 3.127 2.365 3.654 0.154 11 0 "[ . 1 . 2]" 1 849 1 73 LEU HA 1 76 PRO QG 1.800 . 3.500 3.060 2.329 3.545 0.045 20 0 "[ . 1 . 2]" 1 850 1 73 LEU HA 1 87 PHE QD 1.800 . 6.000 3.584 2.986 5.226 . 0 0 "[ . 1 . 2]" 1 851 1 73 LEU HA 1 87 PHE QE 1.800 . 5.000 3.584 2.869 5.048 0.048 20 0 "[ . 1 . 2]" 1 852 1 73 LEU HA 1 89 GLY QA 1.800 . 5.000 3.961 2.791 4.535 . 0 0 "[ . 1 . 2]" 1 853 1 73 LEU HA 1 90 LEU QD 1.800 . 6.000 4.692 4.231 5.246 . 0 0 "[ . 1 . 2]" 1 854 1 73 LEU QB 1 73 LEU QD 1.800 . 3.500 1.923 1.880 1.954 . 0 0 "[ . 1 . 2]" 1 855 1 73 LEU QB 1 74 THR H 1.800 . 5.000 2.814 2.656 3.036 . 0 0 "[ . 1 . 2]" 1 856 1 73 LEU QB 1 90 LEU H 1.800 . 5.000 3.417 2.210 4.117 . 0 0 "[ . 1 . 2]" 1 857 1 73 LEU HB2 1 73 LEU MD1 1.800 . 3.500 2.389 2.217 2.496 . 0 0 "[ . 1 . 2]" 1 858 1 73 LEU HB2 1 73 LEU MD2 1.800 . 3.500 2.778 2.191 3.200 . 0 0 "[ . 1 . 2]" 1 859 1 73 LEU HB3 1 73 LEU MD1 1.800 . 3.500 2.704 2.213 3.195 . 0 0 "[ . 1 . 2]" 1 860 1 73 LEU HB3 1 73 LEU MD2 1.800 . 3.500 2.341 2.223 2.545 . 0 0 "[ . 1 . 2]" 1 861 1 73 LEU QD 1 76 PRO HA 1.800 . 6.800 5.475 5.028 5.910 . 0 0 "[ . 1 . 2]" 1 862 1 73 LEU QD 1 96 ARG HA 1.800 . 5.000 3.009 2.354 3.551 . 0 0 "[ . 1 . 2]" 1 863 1 73 LEU QD 1 99 LEU MD1 1.800 . 5.000 3.583 2.010 3.941 . 0 0 "[ . 1 . 2]" 1 864 1 73 LEU QD 1 100 ILE H 1.800 . 5.000 3.936 3.479 4.670 . 0 0 "[ . 1 . 2]" 1 865 1 73 LEU QD 1 100 ILE MG 1.800 . 5.000 4.489 3.911 4.997 . 0 0 "[ . 1 . 2]" 1 866 1 73 LEU MD1 1 74 THR H 1.800 . 5.000 4.349 3.793 4.875 . 0 0 "[ . 1 . 2]" 1 867 1 73 LEU MD1 1 87 PHE QD 1.800 . 5.300 4.913 4.291 5.403 0.103 19 0 "[ . 1 . 2]" 1 868 1 73 LEU MD1 1 87 PHE QE 1.800 . 5.000 4.123 3.419 4.897 . 0 0 "[ . 1 . 2]" 1 869 1 73 LEU MD1 1 99 LEU MD1 1.800 . 5.300 4.428 3.738 5.338 0.038 18 0 "[ . 1 . 2]" 1 870 1 73 LEU MD1 1 99 LEU MD2 1.800 . 3.500 2.512 1.868 3.500 . 10 0 "[ . 1 . 2]" 1 871 1 73 LEU MD1 1 100 ILE MD 1.800 . 5.000 3.632 2.833 4.550 . 0 0 "[ . 1 . 2]" 1 872 1 73 LEU MD1 1 103 LEU MD1 1.800 . 6.000 4.626 4.057 5.116 . 0 0 "[ . 1 . 2]" 1 873 1 73 LEU MD1 1 103 LEU QD 1.800 . 5.000 4.543 4.006 5.002 0.002 6 0 "[ . 1 . 2]" 1 874 1 73 LEU MD2 1 74 THR H 1.800 . 5.000 4.690 4.377 5.042 0.042 15 0 "[ . 1 . 2]" 1 875 1 73 LEU MD2 1 87 PHE QD 1.800 . 5.300 3.947 2.971 5.331 0.031 13 0 "[ . 1 . 2]" 1 876 1 73 LEU MD2 1 87 PHE QE 1.800 . 5.000 2.900 2.209 4.424 . 0 0 "[ . 1 . 2]" 1 877 1 73 LEU MD2 1 87 PHE HZ 1.800 . 5.300 3.708 3.100 4.876 . 0 0 "[ . 1 . 2]" 1 878 1 73 LEU MD2 1 90 LEU HG 1.800 . 5.300 3.856 3.207 4.690 . 0 0 "[ . 1 . 2]" 1 879 1 73 LEU MD2 1 99 LEU MD1 1.800 . 5.300 3.994 2.016 4.843 . 0 0 "[ . 1 . 2]" 1 880 1 73 LEU MD2 1 99 LEU MD2 1.800 . 3.500 2.065 1.765 2.730 0.035 5 0 "[ . 1 . 2]" 1 881 1 73 LEU MD2 1 100 ILE MD 1.800 . 5.300 4.429 2.938 5.339 0.039 6 0 "[ . 1 . 2]" 1 882 1 73 LEU MD2 1 103 LEU MD1 1.800 . 5.000 4.637 3.924 5.080 0.080 6 0 "[ . 1 . 2]" 1 883 1 73 LEU MD2 1 103 LEU QD 1.800 . 5.000 4.547 3.875 4.970 . 0 0 "[ . 1 . 2]" 1 884 1 73 LEU HG 1 87 PHE QD 1.800 . 6.000 4.976 3.208 6.028 0.028 19 0 "[ . 1 . 2]" 1 885 1 73 LEU HG 1 87 PHE QE 1.800 . 5.000 4.194 2.445 5.038 0.038 3 0 "[ . 1 . 2]" 1 886 1 73 LEU HG 1 87 PHE HZ 1.800 . 6.000 5.418 4.059 6.096 0.096 12 0 "[ . 1 . 2]" 1 887 1 74 THR H 1 74 THR MG 1.800 . 5.000 3.783 3.759 3.813 . 0 0 "[ . 1 . 2]" 1 888 1 74 THR H 1 75 ASN H 1.800 . 5.000 3.578 2.741 4.559 . 0 0 "[ . 1 . 2]" 1 889 1 74 THR HA 1 75 ASN H 1.800 . 3.500 2.941 2.169 3.565 0.065 5 0 "[ . 1 . 2]" 1 890 1 74 THR HA 1 75 ASN QB 1.800 . 5.000 4.586 4.139 4.984 . 0 0 "[ . 1 . 2]" 1 891 1 74 THR HA 1 90 LEU H 1.800 . 5.000 3.346 2.838 3.793 . 0 0 "[ . 1 . 2]" 1 892 1 74 THR MG 1 75 ASN H 1.800 . 5.000 3.206 2.473 3.701 . 0 0 "[ . 1 . 2]" 1 893 1 74 THR MG 1 91 LYS HA 1.800 . 5.000 4.952 3.642 5.076 0.076 15 0 "[ . 1 . 2]" 1 894 1 75 ASN H 1 76 PRO HD2 1.800 . 3.500 3.313 2.776 3.651 0.151 6 0 "[ . 1 . 2]" 1 895 1 75 ASN HA 1 76 PRO QB 1.800 . 5.000 4.892 4.679 4.994 . 0 0 "[ . 1 . 2]" 1 896 1 75 ASN HA 1 76 PRO QD 1.800 . 2.900 2.203 2.145 2.254 . 0 0 "[ . 1 . 2]" 1 897 1 75 ASN HA 1 78 LYS H 1.800 . 7.300 4.885 4.348 7.391 0.091 17 0 "[ . 1 . 2]" 1 898 1 75 ASN HA 1 89 GLY QA 1.800 . 3.500 3.530 3.168 3.596 0.096 7 0 "[ . 1 . 2]" 1 899 1 75 ASN HB2 1 76 PRO HA 1.800 . 6.000 5.423 4.907 6.084 0.084 5 0 "[ . 1 . 2]" 1 900 1 75 ASN HB3 1 76 PRO HA 1.800 . 6.300 5.345 4.808 6.256 . 0 0 "[ . 1 . 2]" 1 901 1 76 PRO HA 1 76 PRO QD 1.800 . 3.500 3.298 3.212 3.327 . 0 0 "[ . 1 . 2]" 1 902 1 76 PRO HA 1 76 PRO QG 1.800 . 3.500 3.352 2.996 3.500 . 0 0 "[ . 1 . 2]" 1 903 1 76 PRO HA 1 80 ILE H 1.800 . 6.800 4.431 3.431 6.535 . 0 0 "[ . 1 . 2]" 1 904 1 76 PRO HB2 1 77 ALA H 1.800 . 5.000 3.381 2.934 3.647 . 0 0 "[ . 1 . 2]" 1 905 1 76 PRO HB3 1 77 ALA H 1.800 . 5.000 4.304 3.886 4.417 . 0 0 "[ . 1 . 2]" 1 906 1 76 PRO QD 1 90 LEU H 1.800 . 5.000 4.302 3.799 4.765 . 0 0 "[ . 1 . 2]" 1 907 1 76 PRO HG2 1 89 GLY QA 1.800 . 5.000 3.804 2.567 4.577 . 0 0 "[ . 1 . 2]" 1 908 1 77 ALA H 1 77 ALA HA 1.800 . 2.900 2.852 2.757 2.891 . 0 0 "[ . 1 . 2]" 1 909 1 77 ALA H 1 77 ALA MB 1.800 . 2.900 2.189 2.046 2.983 0.083 18 0 "[ . 1 . 2]" 1 910 1 77 ALA H 1 78 LYS H 1.800 . 5.000 3.064 2.753 4.660 . 0 0 "[ . 1 . 2]" 1 911 1 77 ALA H 1 79 TYR H 1.800 . 5.000 3.754 2.604 4.255 . 0 0 "[ . 1 . 2]" 1 912 1 77 ALA HA 1 78 LYS H 1.800 . 5.000 3.511 2.317 3.593 . 0 0 "[ . 1 . 2]" 1 913 1 77 ALA MB 1 78 LYS H 1.800 . 3.500 2.240 1.888 2.735 . 0 0 "[ . 1 . 2]" 1 914 1 78 LYS H 1 78 LYS HA 1.800 . 2.900 2.842 2.339 2.959 0.059 15 0 "[ . 1 . 2]" 1 915 1 78 LYS H 1 78 LYS QD 1.800 . 5.300 4.043 3.662 5.164 . 0 0 "[ . 1 . 2]" 1 916 1 78 LYS H 1 78 LYS QG 1.800 . 5.000 2.645 2.024 4.115 . 0 0 "[ . 1 . 2]" 1 917 1 78 LYS H 1 79 TYR H 1.800 . 3.500 2.653 2.342 3.273 . 0 0 "[ . 1 . 2]" 1 918 1 78 LYS H 1 80 ILE H 1.800 . 6.800 4.906 4.060 6.842 0.042 5 0 "[ . 1 . 2]" 1 919 1 78 LYS HA 1 78 LYS QD 1.800 . 5.000 3.954 3.912 4.266 . 0 0 "[ . 1 . 2]" 1 920 1 78 LYS HA 1 78 LYS QG 1.800 . 5.000 2.386 2.293 3.305 . 0 0 "[ . 1 . 2]" 1 921 1 78 LYS HA 1 81 PRO QB 1.800 . 6.800 3.944 3.020 6.878 0.078 9 0 "[ . 1 . 2]" 1 922 1 78 LYS HB2 1 79 TYR H 1.800 . 5.000 3.275 2.698 4.300 . 0 0 "[ . 1 . 2]" 1 923 1 78 LYS HB2 1 80 ILE H 1.800 . 6.800 5.804 5.332 6.668 . 0 0 "[ . 1 . 2]" 1 924 1 78 LYS HB3 1 79 TYR H 1.800 . 5.000 3.631 2.682 4.313 . 0 0 "[ . 1 . 2]" 1 925 1 78 LYS HB3 1 80 ILE H 1.800 . 6.300 5.796 5.243 6.325 0.025 11 0 "[ . 1 . 2]" 1 926 1 78 LYS QD 1 79 TYR H 1.800 . 6.000 4.936 4.605 5.570 . 0 0 "[ . 1 . 2]" 1 927 1 79 TYR H 1 80 ILE H 1.800 . 5.000 3.104 2.752 4.544 . 0 0 "[ . 1 . 2]" 1 928 1 79 TYR HA 1 80 ILE H 1.800 . 5.000 3.381 2.183 3.608 . 0 0 "[ . 1 . 2]" 1 929 1 79 TYR QD 1 80 ILE MD 1.800 . 5.000 3.423 2.570 4.198 . 0 0 "[ . 1 . 2]" 1 930 1 79 TYR QE 1 80 ILE MD 1.800 . 5.000 3.642 2.003 4.925 . 0 0 "[ . 1 . 2]" 1 931 1 79 TYR QE 1 80 ILE HG12 1.800 . 6.000 3.963 2.830 4.579 . 0 0 "[ . 1 . 2]" 1 932 1 79 TYR QE 1 80 ILE HG13 1.800 . 6.000 4.413 2.261 6.008 0.008 15 0 "[ . 1 . 2]" 1 933 1 80 ILE H 1 80 ILE MD 1.800 . 5.000 4.082 2.442 4.513 . 0 0 "[ . 1 . 2]" 1 934 1 80 ILE H 1 80 ILE HG12 1.800 . 5.000 3.345 2.285 5.150 0.150 13 0 "[ . 1 . 2]" 1 935 1 80 ILE H 1 80 ILE HG13 1.800 . 5.000 3.407 2.092 4.738 . 0 0 "[ . 1 . 2]" 1 936 1 80 ILE H 1 80 ILE MG 1.800 . 5.000 3.446 2.248 4.050 . 0 0 "[ . 1 . 2]" 1 937 1 80 ILE H 1 83 THR MG 1.800 . 6.300 5.027 4.003 6.245 . 0 0 "[ . 1 . 2]" 1 938 1 80 ILE HA 1 80 ILE MG 1.800 . 3.500 2.435 2.144 3.200 . 0 0 "[ . 1 . 2]" 1 939 1 80 ILE MD 1 81 PRO QD 1.800 . 5.000 4.407 3.346 5.155 0.155 19 0 "[ . 1 . 2]" 1 940 1 80 ILE MD 1 83 THR HB 1.800 . 6.800 4.336 2.254 6.804 0.004 20 0 "[ . 1 . 2]" 1 941 1 80 ILE QG 1 83 THR HB 1.800 . 6.800 5.030 2.999 6.669 . 0 0 "[ . 1 . 2]" 1 942 1 80 ILE MG 1 83 THR HB 1.800 . 5.300 3.783 2.443 5.307 0.007 9 0 "[ . 1 . 2]" 1 943 1 80 ILE MG 1 83 THR MG 1.800 . 5.000 2.759 1.782 4.144 0.018 7 0 "[ . 1 . 2]" 1 944 1 81 PRO HA 1 81 PRO QD 1.800 . 5.000 3.426 3.174 3.521 . 0 0 "[ . 1 . 2]" 1 945 1 81 PRO HA 1 81 PRO QG 1.800 . 3.500 3.355 2.970 3.530 0.030 4 0 "[ . 1 . 2]" 1 946 1 81 PRO HA 1 82 GLY H 1.800 . 3.500 2.572 2.230 3.539 0.039 2 0 "[ . 1 . 2]" 1 947 1 81 PRO HA 1 83 THR H 1.800 . 5.300 3.630 3.194 5.367 0.067 16 0 "[ . 1 . 2]" 1 948 1 81 PRO HA 1 83 THR HB 1.800 . 7.000 5.890 5.207 6.872 . 0 0 "[ . 1 . 2]" 1 949 1 81 PRO HB2 1 82 GLY H 1.800 . 5.000 3.344 2.798 3.928 . 0 0 "[ . 1 . 2]" 1 950 1 81 PRO HB2 1 83 THR H 1.800 . 6.000 5.008 3.793 5.446 . 0 0 "[ . 1 . 2]" 1 951 1 81 PRO HB3 1 82 GLY H 1.800 . 5.000 3.870 3.507 4.620 . 0 0 "[ . 1 . 2]" 1 952 1 81 PRO HB3 1 83 THR H 1.800 . 6.000 5.502 5.315 6.015 0.015 16 0 "[ . 1 . 2]" 1 953 1 81 PRO QD 1 81 PRO QG 1.800 . 5.000 1.969 1.958 1.983 . 0 0 "[ . 1 . 2]" 1 954 1 81 PRO QD 1 82 GLY H 1.800 . 5.000 4.460 2.287 5.034 0.034 20 0 "[ . 1 . 2]" 1 955 1 81 PRO QG 1 82 GLY H 1.800 . 5.000 4.302 2.846 4.823 . 0 0 "[ . 1 . 2]" 1 956 1 82 GLY H 1 82 GLY HA2 1.800 . 2.900 2.482 2.377 2.947 0.047 11 0 "[ . 1 . 2]" 1 957 1 82 GLY H 1 82 GLY HA3 1.800 . 2.900 2.870 2.343 2.980 0.080 18 0 "[ . 1 . 2]" 1 958 1 82 GLY H 1 83 THR H 1.800 . 3.500 2.402 2.092 2.812 . 0 0 "[ . 1 . 2]" 1 959 1 82 GLY HA2 1 83 THR H 1.800 . 3.500 3.214 2.723 3.520 0.020 2 0 "[ . 1 . 2]" 1 960 1 82 GLY HA3 1 83 THR H 1.800 . 5.000 3.354 2.987 3.573 . 0 0 "[ . 1 . 2]" 1 961 1 83 THR H 1 83 THR MG 1.800 . 3.500 2.174 1.883 2.778 . 0 0 "[ . 1 . 2]" 1 962 1 83 THR H 1 84 LYS H 1.800 . 5.000 4.541 3.938 4.654 . 0 0 "[ . 1 . 2]" 1 963 1 83 THR HA 1 84 LYS H 1.800 . 5.000 2.496 2.303 3.315 . 0 0 "[ . 1 . 2]" 1 964 1 84 LYS H 1 84 LYS QD 1.800 . 5.000 4.153 3.605 4.415 . 0 0 "[ . 1 . 2]" 1 965 1 84 LYS H 1 84 LYS HE2 1.800 . 5.000 4.204 3.467 5.036 0.036 20 0 "[ . 1 . 2]" 1 966 1 84 LYS H 1 84 LYS HE3 1.800 . 5.000 4.164 3.349 5.151 0.151 13 0 "[ . 1 . 2]" 1 967 1 84 LYS H 1 84 LYS HG2 1.800 . 5.000 3.254 1.897 3.580 . 0 0 "[ . 1 . 2]" 1 968 1 84 LYS H 1 84 LYS HG3 1.800 . 5.000 2.370 1.866 3.241 . 0 0 "[ . 1 . 2]" 1 969 1 84 LYS HB2 1 85 MET H 1.800 . 5.000 3.618 2.779 4.390 . 0 0 "[ . 1 . 2]" 1 970 1 84 LYS HB3 1 85 MET H 1.800 . 5.000 4.299 3.847 4.442 . 0 0 "[ . 1 . 2]" 1 971 1 86 ALA H 1 86 ALA MB 1.800 . 3.500 2.475 2.262 2.815 . 0 0 "[ . 1 . 2]" 1 972 1 86 ALA H 1 87 PHE H 1.800 . 5.000 3.025 2.264 3.732 . 0 0 "[ . 1 . 2]" 1 973 1 86 ALA MB 1 87 PHE H 1.800 . 3.500 3.597 3.389 3.695 0.195 17 0 "[ . 1 . 2]" 1 974 1 87 PHE HB2 1 87 PHE QE 1.800 . 5.000 4.454 4.441 4.468 . 0 0 "[ . 1 . 2]" 1 975 1 87 PHE HB3 1 87 PHE QE 1.800 . 5.000 4.437 4.427 4.449 . 0 0 "[ . 1 . 2]" 1 976 1 87 PHE QD 1 88 GLY H 1.800 . 3.500 3.432 2.150 3.548 0.048 8 0 "[ . 1 . 2]" 1 977 1 87 PHE QE 1 90 LEU MD1 1.800 . 3.500 3.127 2.605 3.545 0.045 5 0 "[ . 1 . 2]" 1 978 1 87 PHE QE 1 90 LEU MD2 1.800 . 3.500 3.082 2.755 3.411 . 0 0 "[ . 1 . 2]" 1 979 1 87 PHE QE 1 90 LEU HG 1.800 . 5.000 2.624 2.261 4.334 . 0 0 "[ . 1 . 2]" 1 980 1 87 PHE QE 1 99 LEU MD1 1.800 . 6.000 4.577 3.247 5.198 . 0 0 "[ . 1 . 2]" 1 981 1 87 PHE QE 1 99 LEU MD2 1.800 . 5.000 3.631 3.025 5.021 0.021 10 0 "[ . 1 . 2]" 1 982 1 87 PHE HZ 1 88 GLY H 1.800 . 6.000 5.329 5.120 5.635 . 0 0 "[ . 1 . 2]" 1 983 1 87 PHE HZ 1 90 LEU MD1 1.800 . 2.900 2.605 2.194 2.936 0.036 18 0 "[ . 1 . 2]" 1 984 1 87 PHE HZ 1 90 LEU MD2 1.800 . 2.900 2.726 2.301 2.958 0.058 6 0 "[ . 1 . 2]" 1 985 1 87 PHE HZ 1 90 LEU HG 1.800 . 5.000 3.492 2.989 4.085 . 0 0 "[ . 1 . 2]" 1 986 1 87 PHE HZ 1 99 LEU MD1 1.800 . 5.000 4.647 2.767 5.036 0.036 11 0 "[ . 1 . 2]" 1 987 1 87 PHE HZ 1 99 LEU MD2 1.800 . 5.000 3.401 2.572 5.026 0.026 2 0 "[ . 1 . 2]" 1 988 1 88 GLY QA 1 89 GLY H 1.800 . 5.000 2.275 2.170 2.335 . 0 0 "[ . 1 . 2]" 1 989 1 89 GLY QA 1 90 LEU H 1.800 . 5.000 2.297 2.203 2.783 . 0 0 "[ . 1 . 2]" 1 990 1 90 LEU H 1 90 LEU MD1 1.800 . 5.000 3.808 3.652 3.876 . 0 0 "[ . 1 . 2]" 1 991 1 90 LEU H 1 90 LEU MD2 1.800 . 5.000 3.280 3.124 3.385 . 0 0 "[ . 1 . 2]" 1 992 1 90 LEU H 1 90 LEU HG 1.800 . 5.000 2.374 2.119 2.488 . 0 0 "[ . 1 . 2]" 1 993 1 90 LEU HA 1 90 LEU MD1 1.800 . 5.000 3.790 3.779 3.821 . 0 0 "[ . 1 . 2]" 1 994 1 90 LEU HA 1 90 LEU MD2 1.800 . 5.000 2.057 2.048 2.104 . 0 0 "[ . 1 . 2]" 1 995 1 90 LEU HA 1 90 LEU HG 1.800 . 3.500 3.174 3.150 3.243 . 0 0 "[ . 1 . 2]" 1 996 1 90 LEU QD 1 91 LYS H 1.800 . 5.000 3.564 3.418 3.615 . 0 0 "[ . 1 . 2]" 1 997 1 90 LEU QD 1 95 ASP QB 1.800 . 3.500 3.037 2.456 3.591 0.091 20 0 "[ . 1 . 2]" 1 998 1 90 LEU QD 1 99 LEU MD1 1.800 . 5.000 4.112 2.296 4.627 . 0 0 "[ . 1 . 2]" 1 999 1 90 LEU QD 1 99 LEU MD2 1.800 . 5.000 2.902 2.221 4.510 . 0 0 "[ . 1 . 2]" 1 1000 1 90 LEU MD1 1 95 ASP HB2 1.800 . 5.000 3.474 2.740 4.172 . 0 0 "[ . 1 . 2]" 1 1001 1 90 LEU MD1 1 95 ASP HB3 1.800 . 5.000 3.539 2.840 4.693 . 0 0 "[ . 1 . 2]" 1 1002 1 90 LEU MD1 1 96 ARG HA 1.800 . 5.000 2.601 2.196 3.499 . 0 0 "[ . 1 . 2]" 1 1003 1 90 LEU MD2 1 95 ASP QB 1.800 . 5.000 4.285 3.797 5.025 0.025 20 0 "[ . 1 . 2]" 1 1004 1 90 LEU MD2 1 96 ARG HA 1.800 . 6.000 5.238 4.769 5.989 . 0 0 "[ . 1 . 2]" 1 1005 1 91 LYS H 1 91 LYS QE 1.800 . 5.000 3.944 3.391 4.927 . 0 0 "[ . 1 . 2]" 1 1006 1 91 LYS H 1 91 LYS QG 1.800 . 5.000 2.591 1.938 3.990 . 0 0 "[ . 1 . 2]" 1 1007 1 91 LYS HA 1 91 LYS QE 1.800 . 6.000 4.555 3.722 5.472 . 0 0 "[ . 1 . 2]" 1 1008 1 91 LYS HA 1 91 LYS QG 1.800 . 5.000 2.388 2.307 3.304 . 0 0 "[ . 1 . 2]" 1 1009 1 91 LYS HA 1 92 LYS H 1.800 . 5.000 3.426 2.306 3.566 . 0 0 "[ . 1 . 2]" 1 1010 1 91 LYS QB 1 92 LYS H 1.800 . 5.000 2.889 1.783 3.757 0.017 6 0 "[ . 1 . 2]" 1 1011 1 91 LYS QE 1 92 LYS H 1.800 . 5.300 4.882 4.069 5.489 0.189 17 0 "[ . 1 . 2]" 1 1012 1 92 LYS H 1 92 LYS HA 1.800 . 2.900 2.946 2.768 2.985 0.085 14 0 "[ . 1 . 2]" 1 1013 1 92 LYS H 1 92 LYS QD 1.800 . 5.000 4.121 3.387 4.844 . 0 0 "[ . 1 . 2]" 1 1014 1 92 LYS H 1 92 LYS QG 1.800 . 5.000 2.724 2.048 4.119 . 0 0 "[ . 1 . 2]" 1 1015 1 92 LYS H 1 93 GLU H 1.800 . 5.000 4.480 4.138 4.598 . 0 0 "[ . 1 . 2]" 1 1016 1 92 LYS HA 1 92 LYS QG 1.800 . 5.000 2.342 2.297 2.963 . 0 0 "[ . 1 . 2]" 1 1017 1 92 LYS HA 1 93 GLU H 1.800 . 5.000 2.177 2.165 2.209 . 0 0 "[ . 1 . 2]" 1 1018 1 92 LYS HB2 1 93 GLU H 1.800 . 5.000 4.263 4.202 4.444 . 0 0 "[ . 1 . 2]" 1 1019 1 92 LYS HB3 1 93 GLU H 1.800 . 5.000 3.460 3.259 4.281 . 0 0 "[ . 1 . 2]" 1 1020 1 92 LYS QD 1 93 GLU H 1.800 . 5.000 5.018 3.907 5.120 0.120 18 0 "[ . 1 . 2]" 1 1021 1 92 LYS QG 1 93 GLU H 1.800 . 5.000 3.932 2.919 4.783 . 0 0 "[ . 1 . 2]" 1 1022 1 93 GLU H 1 93 GLU QG 1.800 . 5.000 2.821 2.208 4.229 . 0 0 "[ . 1 . 2]" 1 1023 1 93 GLU H 1 96 ARG H 1.800 . 5.000 4.765 3.550 5.085 0.085 11 0 "[ . 1 . 2]" 1 1024 1 93 GLU HA 1 94 LYS H 1.800 . 5.000 3.419 2.286 3.577 . 0 0 "[ . 1 . 2]" 1 1025 1 93 GLU HA 1 96 ARG QB 1.800 . 5.000 2.749 2.273 4.818 . 0 0 "[ . 1 . 2]" 1 1026 1 93 GLU HB2 1 94 LYS H 1.800 . 5.000 3.126 2.632 4.124 . 0 0 "[ . 1 . 2]" 1 1027 1 93 GLU HB3 1 94 LYS H 1.800 . 5.000 3.542 2.495 3.863 . 0 0 "[ . 1 . 2]" 1 1028 1 94 LYS H 1 94 LYS HA 1.800 . 2.900 2.832 2.818 2.846 . 0 0 "[ . 1 . 2]" 1 1029 1 94 LYS H 1 94 LYS HB2 1.800 . 3.500 2.492 2.393 2.541 . 0 0 "[ . 1 . 2]" 1 1030 1 94 LYS H 1 94 LYS QD 1.800 . 5.000 3.954 3.831 4.417 . 0 0 "[ . 1 . 2]" 1 1031 1 94 LYS H 1 94 LYS QG 1.800 . 5.000 2.471 2.053 3.964 . 0 0 "[ . 1 . 2]" 1 1032 1 94 LYS H 1 95 ASP H 1.800 . 5.000 2.842 2.702 2.937 . 0 0 "[ . 1 . 2]" 1 1033 1 94 LYS HA 1 95 ASP H 1.800 . 5.000 3.574 3.531 3.592 . 0 0 "[ . 1 . 2]" 1 1034 1 94 LYS HA 1 97 ASN QB 1.800 . 3.500 3.087 2.750 3.469 . 0 0 "[ . 1 . 2]" 1 1035 1 94 LYS HB2 1 95 ASP H 1.800 . 3.500 2.747 2.401 3.652 0.152 17 0 "[ . 1 . 2]" 1 1036 1 94 LYS HB3 1 95 ASP H 1.800 . 5.000 3.297 2.188 3.805 . 0 0 "[ . 1 . 2]" 1 1037 1 94 LYS QD 1 95 ASP H 1.800 . 5.000 4.576 4.099 4.911 . 0 0 "[ . 1 . 2]" 1 1038 1 94 LYS QG 1 95 ASP H 1.800 . 5.000 3.929 3.445 4.093 . 0 0 "[ . 1 . 2]" 1 1039 1 95 ASP H 1 95 ASP HB3 1.800 . 3.500 3.551 2.596 3.613 0.113 10 0 "[ . 1 . 2]" 1 1040 1 95 ASP H 1 96 ARG H 1.800 . 5.000 2.665 2.609 2.783 . 0 0 "[ . 1 . 2]" 1 1041 1 95 ASP H 1 97 ASN H 1.800 . 5.000 4.294 4.199 4.436 . 0 0 "[ . 1 . 2]" 1 1042 1 95 ASP HA 1 96 ARG H 1.800 . 5.000 3.539 3.504 3.564 . 0 0 "[ . 1 . 2]" 1 1043 1 95 ASP HA 1 97 ASN QB 1.800 . 5.300 4.919 4.782 5.237 . 0 0 "[ . 1 . 2]" 1 1044 1 95 ASP HA 1 98 ASP H 1.800 . 5.000 3.458 3.262 3.615 . 0 0 "[ . 1 . 2]" 1 1045 1 95 ASP HA 1 99 LEU H 1.800 . 5.000 4.374 3.614 4.649 . 0 0 "[ . 1 . 2]" 1 1046 1 95 ASP HB2 1 96 ARG H 1.800 . 5.000 2.704 2.562 3.927 . 0 0 "[ . 1 . 2]" 1 1047 1 95 ASP HB3 1 96 ARG H 1.800 . 5.000 3.652 3.558 4.057 . 0 0 "[ . 1 . 2]" 1 1048 1 96 ARG H 1 96 ARG QB 1.800 . 3.500 2.276 2.232 2.480 . 0 0 "[ . 1 . 2]" 1 1049 1 96 ARG H 1 96 ARG QD 1.800 . 5.000 4.628 3.751 4.814 . 0 0 "[ . 1 . 2]" 1 1050 1 96 ARG H 1 97 ASN H 1.800 . 5.000 2.771 2.715 2.815 . 0 0 "[ . 1 . 2]" 1 1051 1 96 ARG HA 1 97 ASN H 1.800 . 5.000 3.568 3.555 3.577 . 0 0 "[ . 1 . 2]" 1 1052 1 96 ARG HA 1 98 ASP H 1.800 . 5.300 4.450 4.308 4.828 . 0 0 "[ . 1 . 2]" 1 1053 1 96 ARG HA 1 99 LEU H 1.800 . 5.000 3.496 3.373 3.741 . 0 0 "[ . 1 . 2]" 1 1054 1 96 ARG HA 1 99 LEU HB2 1.800 . 3.500 3.453 2.965 3.590 0.090 3 0 "[ . 1 . 2]" 1 1055 1 96 ARG HA 1 99 LEU HB3 1.800 . 3.500 3.066 2.599 3.366 . 0 0 "[ . 1 . 2]" 1 1056 1 96 ARG QB 1 97 ASN H 1.800 . 3.500 2.488 2.401 2.565 . 0 0 "[ . 1 . 2]" 1 1057 1 96 ARG QD 1 97 ASN H 1.800 . 5.000 4.664 4.289 5.130 0.130 11 0 "[ . 1 . 2]" 1 1058 1 97 ASN H 1 97 ASN HB2 1.800 . 3.500 2.445 2.316 2.523 . 0 0 "[ . 1 . 2]" 1 1059 1 97 ASN H 1 97 ASN HB3 1.800 . 3.500 3.320 2.622 3.605 0.105 16 0 "[ . 1 . 2]" 1 1060 1 97 ASN HA 1 97 ASN QD 1.800 . 5.000 3.094 1.962 4.040 . 0 0 "[ . 1 . 2]" 1 1061 1 97 ASN HA 1 98 ASP H 1.800 . 5.000 3.567 3.547 3.588 . 0 0 "[ . 1 . 2]" 1 1062 1 97 ASN QB 1 101 THR MG 1.800 . 6.000 5.543 5.170 6.056 0.056 10 0 "[ . 1 . 2]" 1 1063 1 97 ASN HB2 1 98 ASP H 1.800 . 5.000 2.986 2.601 3.826 . 0 0 "[ . 1 . 2]" 1 1064 1 97 ASN HB3 1 98 ASP H 1.800 . 5.000 3.274 2.400 3.679 . 0 0 "[ . 1 . 2]" 1 1065 1 98 ASP H 1 98 ASP HB2 1.800 . 3.500 2.454 2.408 2.540 . 0 0 "[ . 1 . 2]" 1 1066 1 98 ASP H 1 98 ASP HB3 1.800 . 3.500 3.495 2.572 3.607 0.107 19 0 "[ . 1 . 2]" 1 1067 1 98 ASP H 1 99 LEU H 1.800 . 2.900 2.699 2.628 2.737 . 0 0 "[ . 1 . 2]" 1 1068 1 98 ASP H 1 100 ILE H 1.800 . 5.000 4.372 4.258 4.463 . 0 0 "[ . 1 . 2]" 1 1069 1 98 ASP HA 1 99 LEU H 1.800 . 5.000 3.561 3.547 3.571 . 0 0 "[ . 1 . 2]" 1 1070 1 98 ASP HA 1 100 ILE H 1.800 . 5.000 4.492 4.418 4.592 . 0 0 "[ . 1 . 2]" 1 1071 1 98 ASP HA 1 101 THR H 1.800 . 5.000 3.389 3.262 3.595 . 0 0 "[ . 1 . 2]" 1 1072 1 98 ASP QB 1 99 LEU H 1.800 . 3.500 2.578 2.538 2.614 . 0 0 "[ . 1 . 2]" 1 1073 1 99 LEU H 1 99 LEU HB2 1.800 . 3.500 2.508 2.381 2.564 . 0 0 "[ . 1 . 2]" 1 1074 1 99 LEU H 1 99 LEU HB3 1.800 . 3.500 2.600 2.543 2.717 . 0 0 "[ . 1 . 2]" 1 1075 1 99 LEU H 1 99 LEU MD1 1.800 . 5.000 3.977 3.912 4.222 . 0 0 "[ . 1 . 2]" 1 1076 1 99 LEU H 1 99 LEU MD2 1.800 . 5.000 4.244 4.194 4.269 . 0 0 "[ . 1 . 2]" 1 1077 1 99 LEU H 1 99 LEU HG 1.800 . 5.000 4.470 4.329 4.502 . 0 0 "[ . 1 . 2]" 1 1078 1 99 LEU H 1 100 ILE H 1.800 . 5.000 2.814 2.750 2.899 . 0 0 "[ . 1 . 2]" 1 1079 1 99 LEU HA 1 99 LEU MD1 1.800 . 5.000 2.215 2.030 3.655 . 0 0 "[ . 1 . 2]" 1 1080 1 99 LEU HA 1 99 LEU MD2 1.800 . 5.000 3.709 2.971 3.811 . 0 0 "[ . 1 . 2]" 1 1081 1 99 LEU HA 1 100 ILE H 1.800 . 5.000 3.576 3.563 3.586 . 0 0 "[ . 1 . 2]" 1 1082 1 99 LEU HA 1 102 TYR H 1.800 . 5.000 3.551 3.416 3.666 . 0 0 "[ . 1 . 2]" 1 1083 1 99 LEU HA 1 103 LEU HG 1.800 . 5.300 4.963 4.453 5.227 . 0 0 "[ . 1 . 2]" 1 1084 1 99 LEU QB 1 99 LEU MD1 1.800 . 2.900 2.203 2.053 2.262 . 0 0 "[ . 1 . 2]" 1 1085 1 99 LEU QB 1 99 LEU MD2 1.800 . 2.900 2.069 2.052 2.135 . 0 0 "[ . 1 . 2]" 1 1086 1 99 LEU HB2 1 100 ILE H 1.800 . 5.000 3.835 3.735 3.877 . 0 0 "[ . 1 . 2]" 1 1087 1 99 LEU HB3 1 100 ILE H 1.800 . 3.500 2.508 2.475 2.561 . 0 0 "[ . 1 . 2]" 1 1088 1 99 LEU QD 1 100 ILE H 1.800 . 5.000 3.783 2.988 3.931 . 0 0 "[ . 1 . 2]" 1 1089 1 99 LEU MD1 1 103 LEU H 1.800 . 6.000 4.404 3.961 6.075 0.075 2 0 "[ . 1 . 2]" 1 1090 1 99 LEU MD2 1 103 LEU H 1.800 . 6.000 5.746 3.522 6.045 0.045 8 0 "[ . 1 . 2]" 1 1091 1 100 ILE H 1 100 ILE HB 1.800 . 2.900 2.562 2.509 2.613 . 0 0 "[ . 1 . 2]" 1 1092 1 100 ILE H 1 100 ILE MD 1.800 . 3.500 3.479 3.436 3.523 0.023 10 0 "[ . 1 . 2]" 1 1093 1 100 ILE H 1 100 ILE MG 1.800 . 5.000 3.775 3.766 3.783 . 0 0 "[ . 1 . 2]" 1 1094 1 100 ILE H 1 101 THR H 1.800 . 5.000 2.619 2.552 2.699 . 0 0 "[ . 1 . 2]" 1 1095 1 100 ILE HA 1 100 ILE HB 1.800 . 2.900 3.025 3.022 3.028 0.128 10 0 "[ . 1 . 2]" 1 1096 1 100 ILE HA 1 100 ILE MD 1.800 . 5.000 3.832 3.818 3.849 . 0 0 "[ . 1 . 2]" 1 1097 1 100 ILE HA 1 100 ILE MG 1.800 . 5.000 2.313 2.262 2.405 . 0 0 "[ . 1 . 2]" 1 1098 1 100 ILE HA 1 101 THR H 1.800 . 5.000 3.536 3.519 3.561 . 0 0 "[ . 1 . 2]" 1 1099 1 100 ILE HA 1 103 LEU H 1.800 . 5.000 3.580 3.452 3.747 . 0 0 "[ . 1 . 2]" 1 1100 1 100 ILE HB 1 101 THR H 1.800 . 2.900 2.599 2.504 2.698 . 0 0 "[ . 1 . 2]" 1 1101 1 100 ILE MD 1 101 THR H 1.800 . 5.000 4.451 4.369 4.546 . 0 0 "[ . 1 . 2]" 1 1102 1 100 ILE MG 1 101 THR H 1.800 . 5.000 3.586 3.496 3.698 . 0 0 "[ . 1 . 2]" 1 1103 1 100 ILE MG 1 103 LEU H 1.800 . 5.000 4.583 4.446 4.811 . 0 0 "[ . 1 . 2]" 1 1104 1 101 THR H 1 101 THR MG 1.800 . 5.000 3.750 3.729 3.763 . 0 0 "[ . 1 . 2]" 1 1105 1 101 THR H 1 102 TYR H 1.800 . 5.000 2.769 2.716 2.805 . 0 0 "[ . 1 . 2]" 1 1106 1 101 THR H 1 103 LEU H 1.800 . 5.000 4.502 4.433 4.628 . 0 0 "[ . 1 . 2]" 1 1107 1 101 THR H 1 104 LYS QG 1.800 . 6.000 5.866 4.725 6.209 0.209 20 0 "[ . 1 . 2]" 1 1108 1 101 THR HA 1 101 THR MG 1.800 . 3.500 2.299 2.217 2.366 . 0 0 "[ . 1 . 2]" 1 1109 1 101 THR HA 1 102 TYR H 1.800 . 5.000 3.567 3.557 3.580 . 0 0 "[ . 1 . 2]" 1 1110 1 101 THR HA 1 103 LEU H 1.800 . 5.000 4.660 4.492 4.929 . 0 0 "[ . 1 . 2]" 1 1111 1 101 THR HA 1 104 LYS H 1.800 . 5.000 3.372 3.157 3.676 . 0 0 "[ . 1 . 2]" 1 1112 1 101 THR HA 1 104 LYS QB 1.800 . 5.000 2.241 2.028 2.969 . 0 0 "[ . 1 . 2]" 1 1113 1 101 THR HA 1 104 LYS QG 1.800 . 5.000 3.766 2.767 4.128 . 0 0 "[ . 1 . 2]" 1 1114 1 101 THR HB 1 102 TYR H 1.800 . 5.000 2.602 2.556 2.673 . 0 0 "[ . 1 . 2]" 1 1115 1 101 THR MG 1 102 TYR H 1.800 . 5.000 3.660 3.552 3.739 . 0 0 "[ . 1 . 2]" 1 1116 1 102 TYR H 1 102 TYR HB3 1.800 . 3.500 2.607 2.578 2.634 . 0 0 "[ . 1 . 2]" 1 1117 1 102 TYR HA 1 103 LEU H 1.800 . 5.000 3.590 3.580 3.606 . 0 0 "[ . 1 . 2]" 1 1118 1 102 TYR HB2 1 103 LEU H 1.800 . 5.000 3.776 3.710 3.906 . 0 0 "[ . 1 . 2]" 1 1119 1 102 TYR HB3 1 103 LEU H 1.800 . 5.000 2.399 2.310 2.579 . 0 0 "[ . 1 . 2]" 1 1120 1 102 TYR QD 1 103 LEU HG 1.800 . 5.000 2.899 2.608 3.377 . 0 0 "[ . 1 . 2]" 1 1121 1 103 LEU H 1 103 LEU QB 1.800 . 2.900 2.422 2.364 2.452 . 0 0 "[ . 1 . 2]" 1 1122 1 103 LEU H 1 103 LEU MD1 1.800 . 5.000 3.635 3.605 3.681 . 0 0 "[ . 1 . 2]" 1 1123 1 103 LEU H 1 103 LEU MD2 1.800 . 5.000 3.395 3.321 3.596 . 0 0 "[ . 1 . 2]" 1 1124 1 103 LEU H 1 104 LYS H 1.800 . 3.500 2.554 2.481 2.708 . 0 0 "[ . 1 . 2]" 1 1125 1 103 LEU HA 1 104 LYS H 1.800 . 3.500 3.517 3.498 3.547 0.047 13 0 "[ . 1 . 2]" 1 1126 1 103 LEU HA 1 106 ALA H 1.800 . 5.000 3.285 3.174 3.580 . 0 0 "[ . 1 . 2]" 1 1127 1 103 LEU QD 1 104 LYS HA 1.800 . 5.000 5.118 5.047 5.147 0.147 15 0 "[ . 1 . 2]" 1 1128 1 103 LEU MD1 1 104 LYS H 1.800 . 5.000 4.655 4.530 4.710 . 0 0 "[ . 1 . 2]" 1 1129 1 103 LEU MD2 1 104 LYS H 1.800 . 5.000 4.619 4.589 4.664 . 0 0 "[ . 1 . 2]" 1 1130 1 104 LYS H 1 104 LYS HB2 1.800 . 3.500 2.437 2.376 2.514 . 0 0 "[ . 1 . 2]" 1 1131 1 104 LYS H 1 104 LYS HB3 1.800 . 3.500 2.842 2.564 3.610 0.110 5 0 "[ . 1 . 2]" 1 1132 1 104 LYS H 1 104 LYS QD 1.800 . 5.000 4.227 3.618 4.420 . 0 0 "[ . 1 . 2]" 1 1133 1 104 LYS H 1 104 LYS QG 1.800 . 5.000 3.612 2.154 4.066 . 0 0 "[ . 1 . 2]" 1 1134 1 104 LYS H 1 105 LYS H 1.800 . 5.000 2.760 2.688 2.861 . 0 0 "[ . 1 . 2]" 1 1135 1 104 LYS HA 1 104 LYS QD 1.800 . 5.000 3.753 2.207 4.163 . 0 0 "[ . 1 . 2]" 1 1136 1 104 LYS HA 1 104 LYS QG 1.800 . 5.000 2.408 2.321 2.700 . 0 0 "[ . 1 . 2]" 1 1137 1 104 LYS HA 1 105 LYS H 1.800 . 5.000 3.559 3.541 3.588 . 0 0 "[ . 1 . 2]" 1 1138 1 104 LYS QB 1 105 LYS H 1.800 . 3.500 2.497 2.377 2.645 . 0 0 "[ . 1 . 2]" 1 1139 1 105 LYS H 1 105 LYS QB 1.800 . 2.900 2.333 2.252 2.443 . 0 0 "[ . 1 . 2]" 1 1140 1 105 LYS H 1 105 LYS HD2 1.800 . 5.000 4.438 3.953 4.835 . 0 0 "[ . 1 . 2]" 1 1141 1 105 LYS H 1 105 LYS HD3 1.800 . 5.000 4.873 4.386 5.057 0.057 20 0 "[ . 1 . 2]" 1 1142 1 105 LYS H 1 105 LYS QG 1.800 . 5.000 3.160 2.107 4.062 . 0 0 "[ . 1 . 2]" 1 1143 1 105 LYS H 1 106 ALA H 1.800 . 2.900 2.712 2.677 2.795 . 0 0 "[ . 1 . 2]" 1 1144 1 105 LYS H 1 106 ALA HA 1.800 . 6.000 5.340 5.052 5.386 . 0 0 "[ . 1 . 2]" 1 1145 1 105 LYS H 1 106 ALA MB 1.800 . 5.000 4.358 4.260 4.959 . 0 0 "[ . 1 . 2]" 1 1146 1 105 LYS H 1 108 GLU QB 1.800 . 6.300 5.568 4.256 6.334 0.034 5 0 "[ . 1 . 2]" 1 1147 1 105 LYS HA 1 105 LYS HD2 1.800 . 6.000 4.368 2.266 4.634 . 0 0 "[ . 1 . 2]" 1 1148 1 105 LYS HA 1 105 LYS HD3 1.800 . 6.000 4.378 2.657 4.660 . 0 0 "[ . 1 . 2]" 1 1149 1 105 LYS HA 1 105 LYS QG 1.800 . 5.000 2.386 2.314 2.827 . 0 0 "[ . 1 . 2]" 1 1150 1 105 LYS HA 1 106 ALA H 1.800 . 3.500 3.544 3.529 3.553 0.053 6 0 "[ . 1 . 2]" 1 1151 1 105 LYS HA 1 108 GLU QB 1.800 . 5.300 3.392 2.194 5.336 0.036 4 0 "[ . 1 . 2]" 1 1152 1 105 LYS QB 1 106 ALA H 1.800 . 3.500 2.466 2.327 2.545 . 0 0 "[ . 1 . 2]" 1 1153 1 105 LYS HD2 1 106 ALA H 1.800 . 5.300 5.149 4.826 5.394 0.094 20 0 "[ . 1 . 2]" 1 1154 1 105 LYS HD3 1 106 ALA H 1.800 . 5.300 5.062 4.628 5.467 0.167 8 0 "[ . 1 . 2]" 1 1155 1 105 LYS QG 1 106 ALA H 1.800 . 5.000 3.809 3.625 4.021 . 0 0 "[ . 1 . 2]" 1 1156 1 106 ALA H 1 106 ALA HA 1.800 . 2.900 2.837 2.713 2.860 . 0 0 "[ . 1 . 2]" 1 1157 1 106 ALA H 1 106 ALA MB 1.800 . 2.900 2.195 2.047 3.033 0.133 4 0 "[ . 1 . 2]" 1 1158 1 106 ALA H 1 107 THR H 1.800 . 3.500 2.695 2.473 2.773 . 0 0 "[ . 1 . 2]" 1 1159 1 106 ALA H 1 108 GLU H 1.800 . 5.000 4.063 2.452 4.581 . 0 0 "[ . 1 . 2]" 1 1160 1 106 ALA HA 1 107 THR H 1.800 . 5.000 3.475 2.521 3.553 . 0 0 "[ . 1 . 2]" 1 1161 1 106 ALA HA 1 108 GLU H 1.800 . 5.000 3.946 3.800 4.193 . 0 0 "[ . 1 . 2]" 1 1162 1 106 ALA MB 1 107 THR H 1.800 . 3.500 2.798 2.585 3.700 0.200 4 0 "[ . 1 . 2]" 1 1163 1 106 ALA MB 1 108 GLU H 1.800 . 5.000 4.339 3.279 4.581 . 0 0 "[ . 1 . 2]" 1 1164 1 107 THR H 1 107 THR MG 1.800 . 2.900 2.266 1.836 2.919 0.019 15 0 "[ . 1 . 2]" 1 1165 1 107 THR H 1 108 GLU H 1.800 . 2.900 2.604 2.404 2.862 . 0 0 "[ . 1 . 2]" 1 1166 1 107 THR HB 1 108 GLU H 1.800 . 5.000 3.969 3.582 4.473 . 0 0 "[ . 1 . 2]" 1 1167 1 107 THR MG 1 108 GLU H 1.800 . 5.000 3.397 1.808 4.127 . 0 0 "[ . 1 . 2]" 1 1168 1 108 GLU H 1 108 GLU HA 1.800 . 2.900 2.829 2.366 2.979 0.079 4 0 "[ . 1 . 2]" 1 1169 1 108 GLU H 1 108 GLU HB2 1.800 . 2.900 2.572 2.435 2.927 0.027 5 0 "[ . 1 . 2]" 1 stop_ save_
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