NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522790 |
2lc0   |
17585 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc0
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 1471
_Distance_constraint_stats_list.Viol_count 2692
_Distance_constraint_stats_list.Viol_total 2956.171
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0366
_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 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 LYS 0.473 0.105 25 0 "[ . 1 . 2 . 3]"
1 6 ARG 0.700 0.132 12 0 "[ . 1 . 2 . 3]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 VAL 0.078 0.057 9 0 "[ . 1 . 2 . 3]"
1 9 GLN 0.095 0.057 9 0 "[ . 1 . 2 . 3]"
1 10 ARG 0.680 0.139 21 0 "[ . 1 . 2 . 3]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 GLU 0.010 0.010 19 0 "[ . 1 . 2 . 3]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 GLN 0.910 0.120 19 0 "[ . 1 . 2 . 3]"
1 18 THR 3.440 0.155 26 0 "[ . 1 . 2 . 3]"
1 19 VAL 1.629 0.136 26 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.846 0.227 27 0 "[ . 1 . 2 . 3]"
1 21 ASP 2.184 0.227 27 0 "[ . 1 . 2 . 3]"
1 22 ALA 4.119 0.123 19 0 "[ . 1 . 2 . 3]"
1 23 PHE 3.425 0.121 27 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ARG 1.518 0.183 29 0 "[ . 1 . 2 . 3]"
1 26 ILE 0.654 0.092 11 0 "[ . 1 . 2 . 3]"
1 27 PHE 0.932 0.063 19 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.453 0.107 24 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.477 0.107 24 0 "[ . 1 . 2 . 3]"
1 30 SER 0.432 0.063 19 0 "[ . 1 . 2 . 3]"
1 34 GLN 0.237 0.050 28 0 "[ . 1 . 2 . 3]"
1 36 VAL 1.318 0.159 26 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.624 0.083 1 0 "[ . 1 . 2 . 3]"
1 38 ALA 0.638 0.083 1 0 "[ . 1 . 2 . 3]"
1 39 LEU 0.190 0.081 20 0 "[ . 1 . 2 . 3]"
1 40 LEU 1.245 0.159 26 0 "[ . 1 . 2 . 3]"
1 41 ARG 1.868 0.229 14 0 "[ . 1 . 2 . 3]"
1 42 ARG 0.491 0.174 14 0 "[ . 1 . 2 . 3]"
1 43 GLU 1.178 0.113 16 0 "[ . 1 . 2 . 3]"
1 44 ALA 1.142 0.086 8 0 "[ . 1 . 2 . 3]"
1 45 ALA 0.086 0.053 16 0 "[ . 1 . 2 . 3]"
1 46 ASP 0.145 0.061 19 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.415 0.086 8 0 "[ . 1 . 2 . 3]"
1 48 ILE 2.389 0.079 4 0 "[ . 1 . 2 . 3]"
1 49 GLN 5.680 0.140 17 0 "[ . 1 . 2 . 3]"
1 50 SER 3.454 0.140 17 0 "[ . 1 . 2 . 3]"
1 51 LEU 1.229 0.066 20 0 "[ . 1 . 2 . 3]"
1 52 GLN 1.110 0.104 12 0 "[ . 1 . 2 . 3]"
1 53 GLY 1.899 0.097 24 0 "[ . 1 . 2 . 3]"
1 54 ASN 1.767 0.104 12 0 "[ . 1 . 2 . 3]"
1 55 ARG 2.725 0.144 7 0 "[ . 1 . 2 . 3]"
1 56 LEU 3.888 0.144 7 0 "[ . 1 . 2 . 3]"
1 57 LEU 2.884 0.137 27 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.073 0.046 28 0 "[ . 1 . 2 . 3]"
1 59 PRO 0.173 0.046 23 0 "[ . 1 . 2 . 3]"
1 60 ASN 0.611 0.061 4 0 "[ . 1 . 2 . 3]"
1 61 GLU 1.144 0.111 10 0 "[ . 1 . 2 . 3]"
1 62 TYR 1.323 0.064 9 0 "[ . 1 . 2 . 3]"
1 63 ILE 0.460 0.062 9 0 "[ . 1 . 2 . 3]"
1 64 ILE 2.511 0.084 25 0 "[ . 1 . 2 . 3]"
1 65 THR 1.338 0.085 4 0 "[ . 1 . 2 . 3]"
1 66 LEU 3.051 0.111 13 0 "[ . 1 . 2 . 3]"
1 67 GLY 0.045 0.020 22 0 "[ . 1 . 2 . 3]"
1 68 VAL 1.729 0.145 25 0 "[ . 1 . 2 . 3]"
1 69 HIS 0.154 0.024 16 0 "[ . 1 . 2 . 3]"
1 70 ASP 0.145 0.032 15 0 "[ . 1 . 2 . 3]"
1 71 PHE 4.599 0.145 25 0 "[ . 1 . 2 . 3]"
1 72 GLU 3.225 0.162 4 0 "[ . 1 . 2 . 3]"
1 73 LYS 2.344 0.105 13 0 "[ . 1 . 2 . 3]"
1 74 LEU 1.968 0.090 4 0 "[ . 1 . 2 . 3]"
1 75 GLY 0.609 0.089 25 0 "[ . 1 . 2 . 3]"
1 76 ALA 0.029 0.029 15 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 PRO 0.029 0.029 15 0 "[ . 1 . 2 . 3]"
1 79 GLU 0.005 0.005 29 0 "[ . 1 . 2 . 3]"
1 80 LEU 0.406 0.048 6 0 "[ . 1 . 2 . 3]"
1 81 LYS 1.009 0.180 17 0 "[ . 1 . 2 . 3]"
1 82 SER 0.537 0.053 15 0 "[ . 1 . 2 . 3]"
1 83 THR 0.925 0.053 15 0 "[ . 1 . 2 . 3]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 PHE 1.761 0.090 13 0 "[ . 1 . 2 . 3]"
1 86 ALA 0.909 0.133 20 0 "[ . 1 . 2 . 3]"
1 87 ARG 1.761 0.169 23 0 "[ . 1 . 2 . 3]"
1 88 ASP 0.929 0.169 23 0 "[ . 1 . 2 . 3]"
1 89 LEU 1.005 0.139 6 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.417 0.100 15 0 "[ . 1 . 2 . 3]"
1 91 ASP 1.556 0.121 6 0 "[ . 1 . 2 . 3]"
1 92 TYR 4.204 0.139 6 0 "[ . 1 . 2 . 3]"
1 93 ILE 2.106 0.162 27 0 "[ . 1 . 2 . 3]"
1 94 GLN 1.745 0.114 18 0 "[ . 1 . 2 . 3]"
1 95 GLU 5.409 0.243 7 0 "[ . 1 . 2 . 3]"
1 96 GLN 4.131 0.231 18 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 TRP 2.888 0.099 16 0 "[ . 1 . 2 . 3]"
1 99 GLN 0.655 0.082 15 0 "[ . 1 . 2 . 3]"
1 100 THR 0.269 0.055 15 0 "[ . 1 . 2 . 3]"
1 101 TYR 0.637 0.044 22 0 "[ . 1 . 2 . 3]"
1 102 GLY 0.005 0.005 6 0 "[ . 1 . 2 . 3]"
1 103 ASP 0.589 0.085 22 0 "[ . 1 . 2 . 3]"
1 104 VAL 1.091 0.100 15 0 "[ . 1 . 2 . 3]"
1 105 VAL 0.812 0.072 10 0 "[ . 1 . 2 . 3]"
1 106 VAL 1.416 0.133 20 0 "[ . 1 . 2 . 3]"
1 107 ARG 1.498 0.105 11 0 "[ . 1 . 2 . 3]"
1 108 PHE 1.526 0.093 16 0 "[ . 1 . 2 . 3]"
1 109 GLU 0.621 0.068 24 0 "[ . 1 . 2 . 3]"
1 110 GLN 1.613 0.104 27 0 "[ . 1 . 2 . 3]"
1 111 SER 2.528 0.169 28 0 "[ . 1 . 2 . 3]"
1 112 SER 0.789 0.081 11 0 "[ . 1 . 2 . 3]"
1 113 ASN 1.801 0.117 13 0 "[ . 1 . 2 . 3]"
1 114 LEU 1.700 0.169 28 0 "[ . 1 . 2 . 3]"
1 115 HIS 2.796 0.194 6 0 "[ . 1 . 2 . 3]"
1 116 THR 0.961 0.109 23 0 "[ . 1 . 2 . 3]"
1 117 GLY 0.028 0.028 9 0 "[ . 1 . 2 . 3]"
1 118 GLN 2.415 0.194 6 0 "[ . 1 . 2 . 3]"
1 119 PHE 3.848 0.185 6 0 "[ . 1 . 2 . 3]"
1 120 ARG 3.020 0.221 24 0 "[ . 1 . 2 . 3]"
1 121 ALA 0.769 0.221 24 0 "[ . 1 . 2 . 3]"
1 122 ARG 3.563 0.295 4 0 "[ . 1 . 2 . 3]"
1 123 GLY 1.209 0.121 28 0 "[ . 1 . 2 . 3]"
1 124 THR 1.818 0.136 13 0 "[ . 1 . 2 . 3]"
1 125 VAL 1.229 0.061 4 0 "[ . 1 . 2 . 3]"
1 126 ASN 0.564 0.099 17 0 "[ . 1 . 2 . 3]"
1 127 PRO 0.153 0.028 29 0 "[ . 1 . 2 . 3]"
1 128 ASP 1.840 0.111 6 0 "[ . 1 . 2 . 3]"
1 129 VAL 3.236 0.201 30 0 "[ . 1 . 2 . 3]"
1 130 GLU 2.940 0.145 23 0 "[ . 1 . 2 . 3]"
1 131 THR 2.436 0.201 30 0 "[ . 1 . 2 . 3]"
1 132 HIS 0.606 0.117 20 0 "[ . 1 . 2 . 3]"
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 4 GLN HA 1 5 LYS H 3.620 . 3.620 2.365 2.071 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 5 LYS HA 1 6 ARG H 3.120 . 3.120 2.216 2.023 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 5 LYS QB 1 6 ARG H 4.220 . 4.220 3.087 1.800 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 5 LYS H 1 5 LYS QB 3.640 . 3.640 2.748 2.119 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 LYS H 1 5 LYS QD 3.700 . 3.700 2.884 1.768 3.805 0.105 25 0 "[ . 1 . 2 . 3]" 1
6 1 6 ARG HA 1 6 ARG QG 3.170 . 3.170 2.790 2.385 3.302 0.132 12 0 "[ . 1 . 2 . 3]" 1
7 1 6 ARG HA 1 7 LEU H 3.290 . 3.290 2.217 2.022 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 ARG QB 1 6 ARG QD 3.370 . 3.370 2.400 2.103 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 ARG H 1 6 ARG QB 3.520 . 3.520 2.550 2.181 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 7 LEU HA 1 8 VAL H 3.510 . 3.510 2.200 2.037 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 7 LEU H 1 7 LEU QB 3.670 . 3.670 2.575 2.199 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 8 VAL HA 1 9 GLN H 3.410 . 3.410 2.307 2.051 3.467 0.057 9 0 "[ . 1 . 2 . 3]" 1
13 1 8 VAL HB 1 9 GLN H 5.150 . 5.150 4.030 1.779 4.476 0.021 9 0 "[ . 1 . 2 . 3]" 1
14 1 8 VAL QG 1 9 GLN H 4.440 . 4.440 2.979 2.196 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 8 VAL MG1 1 9 GLN H 5.150 . 5.150 3.733 2.737 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 8 VAL MG2 1 9 GLN H 5.150 . 5.150 3.420 2.214 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 9 GLN HA 1 9 GLN QG 3.710 . 3.710 2.772 2.337 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 9 GLN HA 1 10 ARG H 3.530 . 3.530 2.317 2.055 3.547 0.017 27 0 "[ . 1 . 2 . 3]" 1
19 1 9 GLN H 1 9 GLN QG 4.740 . 4.740 2.787 1.916 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 9 GLN H 1 9 GLN HG3 5.500 . 5.500 3.391 2.325 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 9 GLN H 1 9 GLN HG2 5.500 . 5.500 3.336 1.941 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 10 ARG HA 1 10 ARG QD 4.760 . 4.760 3.737 1.909 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 10 ARG HA 1 10 ARG HD3 5.500 . 5.500 4.386 1.937 5.529 0.029 11 0 "[ . 1 . 2 . 3]" 1
24 1 10 ARG HA 1 10 ARG HD2 5.500 . 5.500 4.227 2.146 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 10 ARG HA 1 10 ARG QG 3.250 . 3.250 2.758 2.335 3.389 0.139 21 0 "[ . 1 . 2 . 3]" 1
26 1 10 ARG HA 1 11 VAL H 3.390 . 3.390 2.208 2.008 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 10 ARG QB 1 10 ARG QD 3.370 . 3.370 2.351 2.055 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 10 ARG H 1 10 ARG QB 3.440 . 3.440 2.592 2.216 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 10 ARG H 1 10 ARG HB3 4.040 . 4.040 3.264 2.485 4.052 0.012 24 0 "[ . 1 . 2 . 3]" 1
30 1 10 ARG H 1 10 ARG HB2 4.040 . 4.040 2.921 2.240 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 10 ARG H 1 10 ARG QG 4.960 . 4.960 2.865 1.894 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 11 VAL HA 1 12 GLU H 3.250 . 3.250 2.181 2.034 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 11 VAL HB 1 12 GLU H 4.680 . 4.680 4.113 2.637 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 11 VAL QG 1 12 GLU H 4.270 . 4.270 3.102 2.235 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 11 VAL MG1 1 12 GLU H 4.910 . 4.910 3.707 2.399 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 11 VAL MG2 1 12 GLU H 4.910 . 4.910 3.680 2.254 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 11 VAL H 1 11 VAL HB 4.040 . 4.040 2.967 2.506 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 11 VAL H 1 11 VAL QG 3.850 . 3.850 2.126 1.811 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 11 VAL H 1 11 VAL MG1 4.470 . 4.470 2.845 1.919 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 11 VAL H 1 11 VAL MG2 4.470 . 4.470 2.910 1.869 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 12 GLU HA 1 12 GLU QG 3.530 . 3.530 2.911 2.360 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 12 GLU HA 1 12 GLU HG3 4.240 . 4.240 3.292 2.487 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 12 GLU HA 1 12 GLU HG2 4.240 . 4.240 3.429 2.500 4.250 0.010 19 0 "[ . 1 . 2 . 3]" 1
44 1 12 GLU H 1 12 GLU QB 3.600 . 3.600 2.535 2.225 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 12 GLU H 1 12 GLU QG 4.690 . 4.690 2.909 1.810 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 16 GLU HA 1 16 GLU QG 3.730 . 3.730 2.753 2.371 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 16 GLU HA 1 17 GLN H 3.390 . 3.390 2.307 1.997 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 16 GLU QB 1 17 GLN H 4.260 . 4.260 3.277 1.846 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 17 GLN HA 1 17 GLN QG 3.760 . 3.760 2.942 2.423 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 17 GLN HA 1 18 THR H 3.280 . 3.280 2.325 1.997 3.400 0.120 19 0 "[ . 1 . 2 . 3]" 1
51 1 17 GLN QB 1 18 THR H 3.830 . 3.830 3.311 2.337 3.907 0.077 1 0 "[ . 1 . 2 . 3]" 1
52 1 17 GLN HB3 1 18 THR H 4.410 . 4.410 3.837 2.370 4.414 0.004 12 0 "[ . 1 . 2 . 3]" 1
53 1 17 GLN HB2 1 18 THR H 4.410 . 4.410 3.865 2.630 4.453 0.043 1 0 "[ . 1 . 2 . 3]" 1
54 1 17 GLN QG 1 18 THR H 4.840 . 4.840 4.119 3.038 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 17 GLN HG3 1 18 THR H 5.500 . 5.500 4.711 3.092 5.611 0.111 26 0 "[ . 1 . 2 . 3]" 1
56 1 17 GLN HG2 1 18 THR H 5.500 . 5.500 4.764 3.676 5.536 0.036 4 0 "[ . 1 . 2 . 3]" 1
57 1 17 GLN H 1 17 GLN QG 4.450 . 4.450 2.838 1.810 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 17 GLN H 1 17 GLN HG3 5.250 . 5.250 3.505 2.140 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 17 GLN H 1 17 GLN HG2 5.250 . 5.250 3.353 1.825 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 18 THR HA 1 18 THR MG 3.370 . 3.370 2.408 2.181 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 18 THR HA 1 19 VAL QG 3.640 . 3.640 3.505 3.249 3.683 0.043 17 0 "[ . 1 . 2 . 3]" 1
62 1 18 THR HA 1 19 VAL H 3.140 . 3.140 2.190 2.025 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 18 THR HB 1 19 VAL H 4.070 . 4.070 3.936 2.277 4.206 0.136 26 0 "[ . 1 . 2 . 3]" 1
64 1 18 THR MG 1 19 VAL H 4.000 . 4.000 3.245 2.235 4.023 0.023 10 0 "[ . 1 . 2 . 3]" 1
65 1 18 THR H 1 18 THR HB 4.030 . 4.030 2.881 2.371 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 18 THR H 1 18 THR MG 3.630 . 3.630 3.308 2.240 3.785 0.155 26 0 "[ . 1 . 2 . 3]" 1
67 1 19 VAL HA 1 20 GLY QA 4.670 . 4.670 3.886 3.764 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 19 VAL HA 1 20 GLY HA3 5.430 . 5.430 4.372 4.173 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 19 VAL HA 1 20 GLY HA2 5.430 . 5.430 4.361 4.135 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 19 VAL HA 1 20 GLY H 3.240 . 3.240 2.221 2.039 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 19 VAL HB 1 20 GLY H 4.470 . 4.470 4.010 2.379 4.513 0.043 27 0 "[ . 1 . 2 . 3]" 1
72 1 19 VAL QG 1 20 GLY H 4.100 . 4.100 3.114 1.858 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 19 VAL MG1 1 20 GLY H 4.870 . 4.870 3.658 2.723 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 19 VAL MG2 1 20 GLY H 4.870 . 4.870 3.711 1.870 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 19 VAL H 1 19 VAL HB 3.890 . 3.890 3.118 2.518 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 19 VAL H 1 19 VAL QG 3.250 . 3.250 2.208 1.836 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 19 VAL H 1 20 GLY H 4.440 . 4.440 4.072 2.336 4.527 0.087 2 0 "[ . 1 . 2 . 3]" 1
78 1 20 GLY H 1 21 ASP H 3.800 . 3.800 2.884 2.081 4.027 0.227 27 0 "[ . 1 . 2 . 3]" 1
79 1 21 ASP HA 1 22 ALA H 3.360 . 3.360 2.902 1.974 3.461 0.101 9 0 "[ . 1 . 2 . 3]" 1
80 1 21 ASP HB3 1 22 ALA H 5.360 . 5.360 3.668 2.433 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 21 ASP HB2 1 22 ALA H 5.360 . 5.360 3.913 2.556 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 21 ASP H 1 21 ASP QB 3.040 . 3.040 2.519 2.236 3.159 0.119 27 0 "[ . 1 . 2 . 3]" 1
83 1 21 ASP H 1 22 ALA H 3.930 . 3.930 3.060 2.352 4.053 0.123 19 0 "[ . 1 . 2 . 3]" 1
84 1 22 ALA HA 1 23 PHE HB2 5.500 . 5.500 5.589 5.550 5.621 0.121 27 0 "[ . 1 . 2 . 3]" 1
85 1 22 ALA MB 1 23 PHE QD 4.760 . 4.760 3.185 2.303 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 22 ALA MB 1 23 PHE QE 4.980 . 4.980 3.871 3.436 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 22 ALA MB 1 23 PHE H 3.370 . 3.370 2.413 2.104 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 22 ALA H 1 22 ALA MB 3.070 . 3.070 2.259 2.218 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 23 PHE HA 1 23 PHE QD 3.760 . 3.760 2.810 2.395 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 23 PHE HA 1 23 PHE QE 5.140 . 5.140 4.537 4.366 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 23 PHE HA 1 24 ALA H 3.580 . 3.580 3.497 3.411 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 23 PHE HA 1 26 ILE HB 4.550 . 4.550 2.843 2.310 4.642 0.092 11 0 "[ . 1 . 2 . 3]" 1
93 1 23 PHE HA 1 26 ILE MD 4.480 . 4.480 2.812 2.038 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 23 PHE HA 1 26 ILE QG 4.300 . 4.300 3.188 1.805 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 23 PHE HA 1 26 ILE H 4.680 . 4.680 3.312 2.869 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 23 PHE HA 1 27 PHE QD 4.460 . 4.460 3.468 2.240 4.489 0.029 21 0 "[ . 1 . 2 . 3]" 1
97 1 23 PHE HA 1 27 PHE H 4.970 . 4.970 3.843 3.193 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 23 PHE HB3 1 24 ALA H 3.950 . 3.950 3.580 3.238 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 23 PHE HB2 1 24 ALA H 3.470 . 3.470 2.668 2.345 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 23 PHE QD 1 24 ALA H 4.640 . 4.640 4.216 3.898 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 23 PHE QD 1 26 ILE MD 4.910 . 4.910 3.762 2.039 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 23 PHE QD 1 74 LEU QD 5.080 . 5.080 4.266 2.516 5.170 0.090 4 0 "[ . 1 . 2 . 3]" 1
103 1 23 PHE QE 1 26 ILE MD 5.110 . 5.110 4.491 3.239 5.151 0.041 30 0 "[ . 1 . 2 . 3]" 1
104 1 23 PHE H 1 23 PHE HB2 3.030 . 3.030 2.239 2.116 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 23 PHE H 1 23 PHE QD 3.910 . 3.910 2.381 1.792 2.860 0.008 6 0 "[ . 1 . 2 . 3]" 1
106 1 23 PHE H 1 24 ALA MB 4.550 . 4.550 4.258 3.934 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 23 PHE H 1 24 ALA H 3.370 . 3.370 2.579 2.285 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 24 ALA MB 1 25 ARG H 3.250 . 3.250 2.557 2.379 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 24 ALA H 1 24 ALA MB 2.890 . 2.890 2.241 2.215 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 24 ALA H 1 25 ARG H 3.410 . 3.410 2.678 2.344 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 24 ALA H 1 26 ILE H 4.810 . 4.810 4.006 3.745 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 25 ARG HA 1 28 GLY H 4.920 . 4.920 3.641 2.621 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 25 ARG QB 1 25 ARG HE 4.850 . 4.850 3.091 1.909 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 25 ARG HB3 1 26 ILE H 4.210 . 4.210 3.900 2.519 4.280 0.070 3 0 "[ . 1 . 2 . 3]" 1
115 1 25 ARG HB2 1 26 ILE H 4.210 . 4.210 3.272 2.348 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 25 ARG H 1 25 ARG QB 3.030 . 3.030 2.485 1.861 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 25 ARG H 1 25 ARG HB3 3.570 . 3.570 3.240 1.964 3.616 0.046 12 0 "[ . 1 . 2 . 3]" 1
118 1 25 ARG H 1 25 ARG HB2 3.570 . 3.570 2.862 2.304 3.636 0.066 3 0 "[ . 1 . 2 . 3]" 1
119 1 25 ARG H 1 25 ARG QD 4.750 . 4.750 3.679 3.059 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 25 ARG H 1 25 ARG HD3 5.500 . 5.500 4.261 3.343 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 25 ARG H 1 25 ARG HD2 5.500 . 5.500 4.224 3.171 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 25 ARG H 1 25 ARG QG 3.340 . 3.340 2.274 1.832 3.523 0.183 29 0 "[ . 1 . 2 . 3]" 1
123 1 25 ARG H 1 25 ARG HG3 3.880 . 3.880 3.232 2.058 3.912 0.032 29 0 "[ . 1 . 2 . 3]" 1
124 1 25 ARG H 1 25 ARG HG2 3.880 . 3.880 2.637 1.853 4.000 0.120 29 0 "[ . 1 . 2 . 3]" 1
125 1 25 ARG H 1 26 ILE H 3.410 . 3.410 2.533 2.356 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 26 ILE HA 1 26 ILE MD 4.250 . 4.250 3.614 2.071 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 26 ILE HB 1 26 ILE MD 3.410 . 3.410 2.509 2.307 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 26 ILE HB 1 27 PHE QD 4.710 . 4.710 3.551 2.558 4.755 0.045 17 0 "[ . 1 . 2 . 3]" 1
129 1 26 ILE HB 1 27 PHE H 4.070 . 4.070 2.684 2.252 4.088 0.018 28 0 "[ . 1 . 2 . 3]" 1
130 1 26 ILE MD 1 27 PHE H 4.770 . 4.770 4.426 2.154 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 26 ILE MD 1 26 ILE MG 3.650 . 3.650 2.091 1.918 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 26 ILE MG 1 27 PHE H 4.540 . 4.540 3.324 2.711 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 26 ILE H 1 26 ILE HB 3.710 . 3.710 2.621 2.244 3.720 0.010 11 0 "[ . 1 . 2 . 3]" 1
134 1 26 ILE H 1 26 ILE MD 4.100 . 4.100 3.551 2.245 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 26 ILE H 1 26 ILE QG 3.790 . 3.790 2.364 1.910 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 26 ILE H 1 26 ILE MG 3.990 . 3.990 3.672 2.528 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 26 ILE H 1 27 PHE H 3.810 . 3.810 2.643 2.476 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 26 ILE H 1 28 GLY H 5.470 . 5.470 3.804 3.555 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 27 PHE HA 1 27 PHE QD 3.570 . 3.570 2.630 2.100 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 27 PHE HA 1 27 PHE QE 4.500 . 4.500 4.501 4.373 4.562 0.062 13 0 "[ . 1 . 2 . 3]" 1
141 1 27 PHE QB 1 28 GLY H 3.930 . 3.930 2.953 2.751 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 27 PHE QB 1 30 SER H 4.080 . 4.080 3.127 1.995 4.114 0.034 20 0 "[ . 1 . 2 . 3]" 1
143 1 27 PHE HB3 1 28 GLY H 4.500 . 4.500 3.892 3.614 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 27 PHE HB2 1 28 GLY H 4.500 . 4.500 3.062 2.840 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 27 PHE QD 1 28 GLY H 4.970 . 4.970 4.453 4.248 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 27 PHE QD 1 30 SER H 5.010 . 5.010 4.800 3.957 5.073 0.063 19 0 "[ . 1 . 2 . 3]" 1
147 1 27 PHE H 1 27 PHE QD 4.170 . 4.170 2.763 2.079 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 27 PHE H 1 28 GLY H 3.680 . 3.680 2.437 2.145 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 28 GLY H 1 29 GLY H 4.040 . 4.040 3.391 2.140 4.147 0.107 24 0 "[ . 1 . 2 . 3]" 1
150 1 29 GLY H 1 30 SER H 3.520 . 3.520 2.564 1.858 3.543 0.023 20 0 "[ . 1 . 2 . 3]" 1
151 1 30 SER H 1 30 SER QB 3.030 . 3.030 2.531 2.257 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 34 GLN HA 1 37 GLU QG 4.330 . 4.330 2.594 1.858 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 34 GLN HA 1 37 GLU H 4.030 . 4.030 3.265 2.701 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 34 GLN HA 1 38 ALA H 4.560 . 4.560 3.998 3.271 4.573 0.013 21 0 "[ . 1 . 2 . 3]" 1
155 1 34 GLN HA 1 85 PHE QE 5.500 . 5.500 5.184 4.338 5.550 0.050 28 0 "[ . 1 . 2 . 3]" 1
156 1 36 VAL HA 1 36 VAL MG2 3.710 . 3.710 2.421 2.330 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 36 VAL HA 1 39 LEU QB 4.380 . 4.380 3.005 2.469 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 36 VAL HA 1 39 LEU H 4.700 . 4.700 3.567 3.302 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 36 VAL HA 1 40 LEU H 4.790 . 4.790 4.088 3.842 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 36 VAL HA 1 85 PHE QE 5.320 . 5.320 5.223 4.845 5.378 0.058 28 0 "[ . 1 . 2 . 3]" 1
161 1 36 VAL HB 1 37 GLU H 3.580 . 3.580 2.474 2.173 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 36 VAL HB 1 85 PHE QE 4.130 . 4.130 3.147 2.384 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 36 VAL HB 1 85 PHE HZ 5.050 . 5.050 3.162 2.397 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 36 VAL MG1 1 37 GLU QB 5.340 . 5.340 4.496 3.944 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 36 VAL MG1 1 37 GLU H 3.670 . 3.670 3.392 3.167 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 36 VAL MG1 1 39 LEU QB 5.340 . 5.340 4.003 3.476 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 36 VAL MG1 1 40 LEU QD 4.190 . 4.190 2.254 1.815 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 36 VAL MG1 1 40 LEU H 4.320 . 4.320 4.060 3.865 4.324 0.004 24 0 "[ . 1 . 2 . 3]" 1
169 1 36 VAL MG1 1 64 ILE MG 4.430 . 4.430 2.823 2.229 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 36 VAL MG1 1 85 PHE QD 4.240 . 4.240 3.703 3.042 4.249 0.009 12 0 "[ . 1 . 2 . 3]" 1
171 1 36 VAL MG1 1 85 PHE QE 3.710 . 3.710 2.698 1.906 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 36 VAL MG1 1 85 PHE HZ 4.920 . 4.920 3.076 2.066 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 36 VAL MG1 1 119 PHE QE 5.230 . 5.230 3.991 2.902 5.239 0.009 23 0 "[ . 1 . 2 . 3]" 1
174 1 36 VAL MG2 1 40 LEU QD 4.640 . 4.640 4.272 3.594 4.799 0.159 26 0 "[ . 1 . 2 . 3]" 1
175 1 36 VAL MG2 1 64 ILE QG 5.340 . 5.340 4.870 3.942 5.424 0.084 25 0 "[ . 1 . 2 . 3]" 1
176 1 36 VAL MG2 1 64 ILE MG 4.340 . 4.340 3.674 3.147 4.390 0.050 7 0 "[ . 1 . 2 . 3]" 1
177 1 36 VAL MG2 1 85 PHE QE 4.630 . 4.630 4.205 3.752 4.691 0.061 8 0 "[ . 1 . 2 . 3]" 1
178 1 36 VAL MG2 1 85 PHE HZ 4.760 . 4.760 4.198 3.151 4.811 0.051 25 0 "[ . 1 . 2 . 3]" 1
179 1 36 VAL MG2 1 119 PHE QE 4.640 . 4.640 3.751 2.862 4.653 0.013 29 0 "[ . 1 . 2 . 3]" 1
180 1 37 GLU HB3 1 38 ALA H 4.100 . 4.100 3.764 3.063 4.158 0.058 26 0 "[ . 1 . 2 . 3]" 1
181 1 37 GLU HB2 1 38 ALA H 4.100 . 4.100 3.118 2.318 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 37 GLU QG 1 38 ALA H 4.170 . 4.170 3.268 2.237 4.253 0.083 1 0 "[ . 1 . 2 . 3]" 1
183 1 37 GLU QG 1 85 PHE QE 4.500 . 4.500 2.997 1.947 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 37 GLU HG3 1 38 ALA H 4.870 . 4.870 3.505 2.289 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 37 GLU HG2 1 38 ALA H 4.870 . 4.870 4.244 2.384 4.892 0.022 3 0 "[ . 1 . 2 . 3]" 1
186 1 37 GLU H 1 37 GLU QB 3.320 . 3.320 2.562 2.229 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 37 GLU H 1 37 GLU HB3 3.810 . 3.810 3.188 2.637 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 37 GLU H 1 37 GLU HB2 3.810 . 3.810 3.064 2.254 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 37 GLU H 1 37 GLU QG 3.470 . 3.470 2.287 1.965 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 37 GLU H 1 37 GLU HG3 4.050 . 4.050 2.582 2.000 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 37 GLU H 1 37 GLU HG2 4.050 . 4.050 3.122 1.987 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 37 GLU H 1 38 ALA H 3.580 . 3.580 2.688 2.453 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 38 ALA HA 1 41 ARG H 4.560 . 4.560 3.692 3.247 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 38 ALA HA 1 42 ARG H 5.200 . 5.200 4.252 3.842 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 38 ALA MB 1 39 LEU HA 4.510 . 4.510 3.793 3.681 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 38 ALA MB 1 39 LEU QD 5.440 . 5.440 3.817 2.297 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 38 ALA MB 1 39 LEU H 3.660 . 3.660 2.419 2.189 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 38 ALA MB 1 42 ARG H 5.040 . 5.040 4.795 4.388 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 38 ALA H 1 39 LEU H 3.690 . 3.690 2.771 2.610 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 39 LEU HA 1 39 LEU QD 4.010 . 4.010 2.171 1.909 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 39 LEU QD 1 42 ARG H 4.680 . 4.680 4.350 4.006 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 39 LEU QD 1 43 GLU H 4.590 . 4.590 3.909 3.287 4.671 0.081 20 0 "[ . 1 . 2 . 3]" 1
203 1 39 LEU H 1 39 LEU QB 3.410 . 3.410 2.257 2.092 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 39 LEU H 1 39 LEU HB3 3.890 . 3.890 2.931 2.465 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 39 LEU H 1 39 LEU HB2 3.890 . 3.890 2.411 2.149 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 39 LEU H 1 39 LEU HG 4.700 . 4.700 4.279 2.538 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 39 LEU H 1 40 LEU H 3.550 . 3.550 2.601 2.398 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 40 LEU HA 1 43 GLU H 4.320 . 4.320 3.226 2.795 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 40 LEU HA 1 44 ALA H 4.940 . 4.940 3.958 3.628 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 40 LEU QB 1 41 ARG H 4.220 . 4.220 2.671 2.336 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 40 LEU QB 1 85 PHE QE 4.820 . 4.820 4.066 2.451 4.869 0.049 19 0 "[ . 1 . 2 . 3]" 1
212 1 40 LEU QD 1 41 ARG H 4.120 . 4.120 4.052 3.829 4.165 0.045 22 0 "[ . 1 . 2 . 3]" 1
213 1 40 LEU QD 1 64 ILE HA 4.600 . 4.600 4.429 3.846 4.673 0.073 4 0 "[ . 1 . 2 . 3]" 1
214 1 40 LEU QD 1 64 ILE HB 4.660 . 4.660 4.347 4.053 4.670 0.010 22 0 "[ . 1 . 2 . 3]" 1
215 1 40 LEU QD 1 64 ILE QG 4.020 . 4.020 2.214 1.823 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 40 LEU QD 1 85 PHE QD 4.060 . 4.060 2.854 1.954 4.150 0.090 13 0 "[ . 1 . 2 . 3]" 1
217 1 40 LEU QD 1 85 PHE QE 3.740 . 3.740 2.787 1.808 3.792 0.052 4 0 "[ . 1 . 2 . 3]" 1
218 1 40 LEU QD 1 106 VAL QG 5.030 . 5.030 2.505 1.944 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 40 LEU QD 1 121 ALA HA 4.490 . 4.490 3.995 3.322 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 40 LEU QD 1 121 ALA MB 4.290 . 4.290 2.178 1.808 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 40 LEU H 1 40 LEU QB 3.320 . 3.320 2.331 2.111 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 40 LEU H 1 40 LEU HB3 3.800 . 3.800 3.405 2.546 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 40 LEU H 1 40 LEU HB2 3.800 . 3.800 2.390 2.180 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 40 LEU H 1 41 ARG H 4.120 . 4.120 2.741 2.586 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 41 ARG HA 1 44 ALA H 4.080 . 4.080 3.251 2.827 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 41 ARG QB 1 41 ARG HE 4.560 . 4.560 2.802 1.779 3.962 0.021 25 0 "[ . 1 . 2 . 3]" 1
227 1 41 ARG QB 1 42 ARG H 4.150 . 4.150 3.366 2.419 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 41 ARG QB 1 44 ALA H 5.340 . 5.340 4.820 4.455 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 41 ARG QB 1 92 TYR QE 4.320 . 4.320 4.100 1.989 4.448 0.128 25 0 "[ . 1 . 2 . 3]" 1
230 1 41 ARG HB3 1 42 ARG H 4.890 . 4.890 3.998 2.807 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 41 ARG HB2 1 42 ARG H 4.890 . 4.890 3.721 2.457 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 41 ARG QG 1 42 ARG H 3.830 . 3.830 2.830 2.192 3.875 0.045 17 0 "[ . 1 . 2 . 3]" 1
233 1 41 ARG QG 1 92 TYR QE 5.190 . 5.190 4.561 2.998 5.282 0.092 16 0 "[ . 1 . 2 . 3]" 1
234 1 41 ARG H 1 41 ARG HE 5.210 . 5.210 4.670 3.196 5.271 0.061 13 0 "[ . 1 . 2 . 3]" 1
235 1 41 ARG H 1 41 ARG QG 3.460 . 3.460 2.245 1.948 3.689 0.229 14 0 "[ . 1 . 2 . 3]" 1
236 1 41 ARG H 1 41 ARG HG3 4.310 . 4.310 3.089 2.093 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 41 ARG H 1 41 ARG HG2 4.310 . 4.310 2.621 1.973 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 41 ARG H 1 42 ARG H 3.910 . 3.910 2.547 2.442 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 42 ARG HA 1 42 ARG QD 4.600 . 4.600 3.439 1.896 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 42 ARG HA 1 42 ARG HD3 5.330 . 5.330 4.040 1.909 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 42 ARG HA 1 42 ARG HD2 5.330 . 5.330 3.931 2.070 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 42 ARG HA 1 42 ARG QG 3.150 . 3.150 2.637 2.349 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 42 ARG HA 1 42 ARG HG3 3.800 . 3.800 3.070 2.514 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 42 ARG HA 1 42 ARG HG2 3.800 . 3.800 3.098 2.379 3.881 0.081 26 0 "[ . 1 . 2 . 3]" 1
245 1 42 ARG HA 1 45 ALA H 4.010 . 4.010 3.421 3.043 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 42 ARG QB 1 43 GLU H 3.950 . 3.950 2.566 2.246 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 42 ARG H 1 42 ARG QB 3.090 . 3.090 2.262 2.031 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 42 ARG H 1 42 ARG HB3 3.620 . 3.620 2.654 2.240 3.637 0.017 10 0 "[ . 1 . 2 . 3]" 1
249 1 42 ARG H 1 42 ARG HB2 3.620 . 3.620 2.581 2.109 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 42 ARG H 1 42 ARG HD3 5.500 . 5.500 4.714 3.480 5.674 0.174 14 0 "[ . 1 . 2 . 3]" 1
251 1 42 ARG H 1 42 ARG HD2 5.500 . 5.500 4.818 4.040 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 42 ARG H 1 42 ARG QG 4.300 . 4.300 3.719 2.309 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 42 ARG H 1 43 GLU H 3.420 . 3.420 2.583 2.431 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 42 ARG H 1 44 ALA H 4.800 . 4.800 3.978 3.824 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 43 GLU HA 1 46 ASP QB 3.860 . 3.860 2.367 1.933 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 43 GLU HA 1 46 ASP HB3 4.460 . 4.460 2.427 1.995 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 43 GLU HA 1 46 ASP HB2 4.460 . 4.460 3.322 2.402 4.480 0.020 19 0 "[ . 1 . 2 . 3]" 1
258 1 43 GLU HA 1 46 ASP H 3.500 . 3.500 3.265 2.716 3.561 0.061 19 0 "[ . 1 . 2 . 3]" 1
259 1 43 GLU HA 1 47 GLY H 4.990 . 4.990 3.901 3.452 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 43 GLU HA 1 62 TYR QE 5.500 . 5.500 5.057 4.410 5.561 0.061 27 0 "[ . 1 . 2 . 3]" 1
261 1 43 GLU QB 1 62 TYR QD 4.640 . 4.640 3.358 2.718 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 43 GLU QB 1 62 TYR QE 3.920 . 3.920 2.772 1.991 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 43 GLU QB 1 123 GLY H 4.630 . 4.630 3.464 1.947 4.666 0.036 28 0 "[ . 1 . 2 . 3]" 1
264 1 43 GLU HB3 1 44 ALA H 3.970 . 3.970 3.014 2.371 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 43 GLU HB2 1 44 ALA H 3.970 . 3.970 3.333 2.587 4.001 0.031 11 0 "[ . 1 . 2 . 3]" 1
266 1 43 GLU QG 1 62 TYR QE 5.340 . 5.340 3.579 2.211 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 43 GLU QG 1 123 GLY H 4.700 . 4.700 2.759 1.902 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 43 GLU HG3 1 44 ALA H 5.500 . 5.500 4.419 3.476 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 43 GLU HG3 1 123 GLY H 5.480 . 5.480 3.137 2.226 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 43 GLU HG2 1 44 ALA H 5.500 . 5.500 4.545 4.248 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 43 GLU HG2 1 123 GLY H 5.480 . 5.480 3.483 1.933 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 43 GLU H 1 43 GLU QB 3.170 . 3.170 2.276 2.148 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 43 GLU H 1 43 GLU HB3 3.650 . 3.650 2.987 2.366 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 43 GLU H 1 43 GLU HB2 3.650 . 3.650 2.428 2.258 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 43 GLU H 1 43 GLU QG 4.560 . 4.560 3.309 2.199 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 43 GLU H 1 43 GLU HG3 5.420 . 5.420 4.140 3.629 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 43 GLU H 1 43 GLU HG2 5.420 . 5.420 3.633 2.216 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 43 GLU H 1 44 ALA MB 4.250 . 4.250 4.247 4.114 4.295 0.045 8 0 "[ . 1 . 2 . 3]" 1
279 1 43 GLU H 1 45 ALA H 4.750 . 4.750 4.145 3.926 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 43 GLU H 1 62 TYR QE 5.070 . 5.070 4.807 4.230 5.083 0.013 28 0 "[ . 1 . 2 . 3]" 1
281 1 43 GLU H 1 89 LEU QD 5.440 . 5.440 5.239 4.676 5.553 0.113 16 0 "[ . 1 . 2 . 3]" 1
282 1 44 ALA HA 1 46 ASP H 4.740 . 4.740 4.300 4.005 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 44 ALA HA 1 47 GLY H 4.740 . 4.740 3.645 3.420 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 44 ALA HA 1 62 TYR QE 4.040 . 4.040 3.093 2.444 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 44 ALA MB 1 47 GLY H 4.710 . 4.710 4.675 4.424 4.796 0.086 8 0 "[ . 1 . 2 . 3]" 1
286 1 44 ALA MB 1 62 TYR QE 4.000 . 4.000 2.928 2.251 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 44 ALA H 1 44 ALA MB 2.960 . 2.960 2.217 2.175 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 44 ALA H 1 45 ALA H 3.500 . 3.500 2.726 2.665 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 44 ALA H 1 46 ASP H 4.290 . 4.290 3.947 3.759 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 44 ALA H 1 47 GLY H 5.290 . 5.290 4.688 4.555 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 44 ALA H 1 59 PRO QG 5.340 . 5.340 4.522 3.971 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 44 ALA H 1 62 TYR QD 5.500 . 5.500 5.063 4.633 5.522 0.022 11 0 "[ . 1 . 2 . 3]" 1
293 1 44 ALA H 1 62 TYR QE 3.930 . 3.930 3.194 2.732 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 44 ALA H 1 89 LEU QD 4.420 . 4.420 4.067 3.499 4.478 0.058 6 0 "[ . 1 . 2 . 3]" 1
295 1 44 ALA H 1 89 LEU MD1 5.500 . 5.500 4.724 3.723 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 44 ALA H 1 89 LEU MD2 5.500 . 5.500 4.600 3.754 5.575 0.075 7 0 "[ . 1 . 2 . 3]" 1
297 1 45 ALA HA 1 46 ASP HA 5.270 . 5.270 4.731 4.491 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 45 ALA HA 1 47 GLY H 4.880 . 4.880 4.316 3.860 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 45 ALA HA 1 48 ILE QG 3.970 . 3.970 2.042 1.853 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 45 ALA HA 1 48 ILE MG 4.720 . 4.720 4.504 4.166 4.726 0.006 21 0 "[ . 1 . 2 . 3]" 1
301 1 45 ALA HA 1 48 ILE H 4.300 . 4.300 3.977 3.611 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 45 ALA HA 1 98 TRP HH2 4.020 . 4.020 3.116 2.517 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 45 ALA HA 1 98 TRP HZ2 4.680 . 4.680 3.846 3.397 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 45 ALA HA 1 98 TRP HZ3 4.690 . 4.690 3.931 3.349 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 45 ALA MB 1 46 ASP HA 5.010 . 5.010 3.885 3.820 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 45 ALA MB 1 46 ASP H 3.010 . 3.010 2.735 2.587 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 45 ALA MB 1 47 GLY H 5.150 . 5.150 4.556 4.278 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 45 ALA MB 1 48 ILE H 4.970 . 4.970 4.817 4.528 5.023 0.053 16 0 "[ . 1 . 2 . 3]" 1
309 1 45 ALA MB 1 98 TRP HH2 3.510 . 3.510 2.321 2.054 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 45 ALA MB 1 98 TRP HZ2 4.220 . 4.220 3.544 2.885 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 45 ALA H 1 45 ALA MB 2.970 . 2.970 2.244 2.217 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 45 ALA H 1 46 ASP H 3.270 . 3.270 2.524 2.393 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 46 ASP HA 1 48 ILE H 4.260 . 4.260 3.693 3.460 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 46 ASP QB 1 47 GLY H 3.810 . 3.810 2.708 2.466 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 46 ASP QB 1 48 ILE H 4.810 . 4.810 4.573 4.447 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 46 ASP H 1 46 ASP QB 2.720 . 2.720 2.272 2.234 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 46 ASP H 1 46 ASP HB3 3.250 . 3.250 2.501 2.388 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 46 ASP H 1 46 ASP HB2 3.250 . 3.250 2.617 2.497 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 46 ASP H 1 47 GLY QA 4.830 . 4.830 4.386 4.129 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 46 ASP H 1 47 GLY H 3.200 . 3.200 2.460 2.223 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 46 ASP H 1 48 ILE H 4.350 . 4.350 4.087 3.885 4.388 0.038 6 0 "[ . 1 . 2 . 3]" 1
322 1 47 GLY H 1 48 ILE H 3.110 . 3.110 2.721 2.345 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 48 ILE HA 1 48 ILE MD 3.530 . 3.530 1.947 1.895 2.014 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 48 ILE HA 1 48 ILE QG 3.730 . 3.730 2.776 2.641 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 48 ILE HA 1 48 ILE MG 3.580 . 3.580 2.618 2.487 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 48 ILE HA 1 49 GLN H 2.860 . 2.860 2.126 2.043 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 48 ILE HA 1 57 LEU H 5.360 . 5.360 4.653 4.387 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 48 ILE HA 1 58 ALA HA 3.750 . 3.750 2.732 2.605 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 48 ILE HA 1 58 ALA MB 4.090 . 4.090 3.905 3.729 4.136 0.046 28 0 "[ . 1 . 2 . 3]" 1
330 1 48 ILE HA 1 59 PRO QD 3.820 . 3.820 3.225 2.789 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 48 ILE HB 1 49 GLN H 4.500 . 4.500 4.227 4.114 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 48 ILE MD 1 49 GLN H 4.000 . 4.000 3.214 3.076 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 48 ILE MD 1 56 LEU QD 3.850 . 3.850 3.081 2.683 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 48 ILE MD 1 56 LEU MD1 4.800 . 4.800 3.154 2.729 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 48 ILE MD 1 56 LEU MD2 4.800 . 4.800 4.336 3.742 4.820 0.020 1 0 "[ . 1 . 2 . 3]" 1
336 1 48 ILE MD 1 57 LEU H 5.080 . 5.080 4.036 3.488 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 48 ILE MD 1 58 ALA HA 4.000 . 4.000 2.208 1.969 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 48 ILE MD 1 58 ALA MB 3.770 . 3.770 2.262 2.094 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 48 ILE MD 1 59 PRO QD 4.790 . 4.790 3.024 2.395 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 48 ILE MD 1 98 TRP HD1 4.620 . 4.620 3.603 3.270 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 48 ILE MD 1 98 TRP HE1 3.900 . 3.900 3.568 3.134 3.922 0.022 13 0 "[ . 1 . 2 . 3]" 1
342 1 48 ILE MD 1 98 TRP HE3 4.980 . 4.980 3.245 2.880 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 48 ILE MD 1 98 TRP HH2 4.990 . 4.990 4.107 3.735 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 48 ILE MD 1 98 TRP HZ2 4.380 . 4.380 3.797 3.437 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 48 ILE QG 1 49 GLN H 4.670 . 4.670 4.420 4.311 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 48 ILE MD 1 48 ILE MG 3.460 . 3.460 2.022 1.970 2.070 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 48 ILE MG 1 49 GLN H 3.420 . 3.420 2.609 2.421 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 48 ILE MG 1 50 SER HA 4.190 . 4.190 3.877 3.468 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 48 ILE MG 1 50 SER H 4.240 . 4.240 4.136 3.687 4.292 0.052 3 0 "[ . 1 . 2 . 3]" 1
350 1 48 ILE MG 1 56 LEU HA 4.280 . 4.280 4.029 3.533 4.287 0.007 18 0 "[ . 1 . 2 . 3]" 1
351 1 48 ILE MG 1 56 LEU HB3 4.400 . 4.400 2.003 1.861 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 48 ILE MG 1 56 LEU QD 3.380 . 3.380 1.901 1.788 2.073 0.012 19 0 "[ . 1 . 2 . 3]" 1
353 1 48 ILE MG 1 56 LEU MD1 3.910 . 3.910 1.931 1.824 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 48 ILE MG 1 56 LEU MD2 3.910 . 3.910 2.891 2.154 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 48 ILE MG 1 57 LEU H 4.010 . 4.010 3.562 2.982 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 48 ILE MG 1 58 ALA MB 4.740 . 4.740 4.487 4.175 4.754 0.014 8 0 "[ . 1 . 2 . 3]" 1
357 1 48 ILE MG 1 98 TRP HD1 5.140 . 5.140 4.640 4.323 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 48 ILE MG 1 98 TRP HE1 4.440 . 4.440 4.268 3.932 4.487 0.047 21 0 "[ . 1 . 2 . 3]" 1
359 1 48 ILE H 1 48 ILE HB 2.950 . 2.950 2.284 2.199 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 48 ILE H 1 48 ILE MD 4.110 . 4.110 3.539 3.349 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 48 ILE H 1 48 ILE QG 3.190 . 3.190 2.450 2.252 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 48 ILE H 1 48 ILE HG13 3.830 . 3.830 3.783 3.644 3.846 0.016 6 0 "[ . 1 . 2 . 3]" 1
363 1 48 ILE H 1 48 ILE HG12 3.830 . 3.830 2.482 2.273 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 48 ILE H 1 48 ILE MG 3.620 . 3.620 3.671 3.636 3.699 0.079 4 0 "[ . 1 . 2 . 3]" 1
365 1 48 ILE H 1 49 GLN H 4.640 . 4.640 4.523 4.440 4.641 0.001 9 0 "[ . 1 . 2 . 3]" 1
366 1 49 GLN HA 1 49 GLN QG 3.420 . 3.420 2.343 2.250 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 49 GLN HA 1 49 GLN HG3 4.140 . 4.140 2.750 2.368 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 49 GLN HA 1 49 GLN HG2 4.140 . 4.140 2.710 2.344 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 49 GLN HA 1 50 SER H 2.540 . 2.540 2.140 2.036 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 49 GLN QB 1 50 SER H 3.800 . 3.800 3.024 2.566 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 49 GLN QB 1 57 LEU QB 3.810 . 3.810 1.900 1.776 2.200 0.024 22 0 "[ . 1 . 2 . 3]" 1
372 1 49 GLN QB 1 57 LEU QD 4.080 . 4.080 2.704 2.235 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 49 GLN HB3 1 57 LEU H 4.670 . 4.670 4.229 3.138 4.707 0.037 18 0 "[ . 1 . 2 . 3]" 1
374 1 49 GLN HB2 1 57 LEU H 4.670 . 4.670 3.958 3.243 4.776 0.106 9 0 "[ . 1 . 2 . 3]" 1
375 1 49 GLN QE 1 57 LEU QB 4.530 . 4.530 3.803 2.134 4.667 0.137 27 0 "[ . 1 . 2 . 3]" 1
376 1 49 GLN QE 1 57 LEU QD 3.870 . 3.870 2.903 1.787 3.883 0.013 18 0 "[ . 1 . 2 . 3]" 1
377 1 49 GLN QE 1 125 VAL QG 3.320 . 3.320 2.436 1.767 3.323 0.033 3 0 "[ . 1 . 2 . 3]" 1
378 1 49 GLN HE21 1 125 VAL MG1 5.500 . 5.500 3.921 2.414 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 49 GLN HE21 1 125 VAL MG2 5.500 . 5.500 3.207 1.864 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 49 GLN HE22 1 125 VAL MG1 5.500 . 5.500 3.369 2.231 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 49 GLN HE22 1 125 VAL MG2 5.500 . 5.500 3.198 2.063 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 49 GLN QE 1 49 GLN QG 3.070 . 3.070 2.283 2.084 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 49 GLN QG 1 50 SER H 3.580 . 3.580 3.391 2.572 3.720 0.140 17 0 "[ . 1 . 2 . 3]" 1
384 1 49 GLN QG 1 57 LEU QD 5.040 . 5.040 3.641 2.136 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 49 GLN QG 1 57 LEU H 5.340 . 5.340 5.083 4.400 5.430 0.090 6 0 "[ . 1 . 2 . 3]" 1
386 1 49 GLN QG 1 125 VAL QG 4.620 . 4.620 3.478 2.614 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 49 GLN H 1 49 GLN QB 3.290 . 3.290 2.441 2.294 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 49 GLN H 1 49 GLN HB3 3.840 . 3.840 3.357 2.459 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 49 GLN H 1 49 GLN HB2 3.840 . 3.840 2.579 2.454 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 49 GLN H 1 49 GLN QG 3.970 . 3.970 3.361 2.697 4.025 0.055 9 0 "[ . 1 . 2 . 3]" 1
391 1 49 GLN H 1 50 SER H 4.530 . 4.530 4.329 4.240 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 49 GLN H 1 56 LEU HA 4.840 . 4.840 4.905 4.871 4.955 0.115 7 0 "[ . 1 . 2 . 3]" 1
393 1 49 GLN H 1 56 LEU HB3 4.340 . 4.340 3.646 3.440 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 49 GLN H 1 57 LEU QB 4.090 . 4.090 3.030 2.688 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 50 SER HA 1 51 LEU H 3.000 . 3.000 2.073 1.978 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 50 SER HA 1 56 LEU HA 3.980 . 3.980 3.975 3.608 4.081 0.101 2 0 "[ . 1 . 2 . 3]" 1
397 1 50 SER HA 1 56 LEU HB3 4.600 . 4.600 4.095 3.713 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 50 SER HA 1 56 LEU QD 3.320 . 3.320 2.309 2.003 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 50 SER QB 1 51 LEU H 4.160 . 4.160 3.433 3.017 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 50 SER HB3 1 51 LEU H 4.910 . 4.910 3.749 3.126 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 50 SER HB2 1 51 LEU H 4.910 . 4.910 4.128 3.235 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 50 SER H 1 50 SER QB 2.980 . 2.980 2.453 2.212 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 50 SER H 1 50 SER HB3 3.580 . 3.580 3.256 2.473 3.606 0.026 5 0 "[ . 1 . 2 . 3]" 1
404 1 50 SER H 1 50 SER HB2 3.580 . 3.580 2.664 2.414 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 50 SER H 1 51 LEU H 4.360 . 4.360 4.297 3.965 4.426 0.066 20 0 "[ . 1 . 2 . 3]" 1
406 1 50 SER H 1 56 LEU QD 4.490 . 4.490 4.328 3.971 4.518 0.028 15 0 "[ . 1 . 2 . 3]" 1
407 1 50 SER H 1 57 LEU H 5.320 . 5.320 5.135 4.994 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 51 LEU HA 1 51 LEU MD1 3.210 . 3.210 2.091 2.026 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 51 LEU HA 1 51 LEU MD2 4.420 . 4.420 3.893 3.863 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 51 LEU HA 1 51 LEU HG 3.710 . 3.710 3.027 2.861 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 51 LEU HA 1 52 GLN H 2.920 . 2.920 2.802 2.615 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 51 LEU HB3 1 51 LEU MD1 3.310 . 3.310 3.203 3.189 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 51 LEU HB3 1 52 GLN H 3.140 . 3.140 2.828 2.610 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 51 LEU HB2 1 56 LEU HA 4.310 . 4.310 3.516 3.023 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 51 LEU MD1 1 52 GLN H 3.910 . 3.910 2.892 2.487 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 51 LEU MD1 1 57 LEU QD 3.240 . 3.240 2.914 2.065 3.302 0.062 23 0 "[ . 1 . 2 . 3]" 1
417 1 51 LEU MD1 1 57 LEU MD1 4.400 . 4.400 3.967 2.069 4.453 0.053 4 0 "[ . 1 . 2 . 3]" 1
418 1 51 LEU MD1 1 57 LEU MD2 4.400 . 4.400 3.194 2.427 4.427 0.027 1 0 "[ . 1 . 2 . 3]" 1
419 1 51 LEU MD1 1 99 GLN QE 4.440 . 4.440 4.182 3.491 4.464 0.024 24 0 "[ . 1 . 2 . 3]" 1
420 1 51 LEU MD1 1 99 GLN HE21 5.140 . 5.140 4.625 3.635 5.154 0.014 9 0 "[ . 1 . 2 . 3]" 1
421 1 51 LEU MD1 1 99 GLN HE22 5.140 . 5.140 4.824 4.506 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 51 LEU MD1 1 101 TYR QE 4.190 . 4.190 3.421 2.692 4.226 0.036 18 0 "[ . 1 . 2 . 3]" 1
423 1 51 LEU MD2 1 57 LEU QD 3.570 . 3.570 2.077 1.825 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 51 LEU MD2 1 101 TYR QE 4.110 . 4.110 3.217 2.075 4.147 0.037 15 0 "[ . 1 . 2 . 3]" 1
425 1 51 LEU HG 1 52 GLN HA 5.170 . 5.170 4.350 4.210 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 51 LEU HG 1 52 GLN HB2 4.810 . 4.810 3.338 2.991 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 51 LEU HG 1 52 GLN QG 4.550 . 4.550 2.905 2.280 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 51 LEU HG 1 57 LEU QD 5.030 . 5.030 4.477 4.035 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 51 LEU H 1 51 LEU HB3 3.640 . 3.640 2.739 2.488 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 51 LEU H 1 51 LEU HB2 3.490 . 3.490 2.853 2.544 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 51 LEU H 1 52 GLN H 4.400 . 4.400 4.245 4.146 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 51 LEU H 1 56 LEU HA 4.030 . 4.030 3.044 2.664 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 51 LEU H 1 56 LEU QD 3.490 . 3.490 2.513 2.169 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 51 LEU H 1 57 LEU H 4.290 . 4.290 3.685 3.090 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 52 GLN HA 1 52 GLN QG 3.390 . 3.390 2.527 2.399 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 52 GLN HA 1 53 GLY H 2.710 . 2.710 2.266 2.138 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 52 GLN HA 1 54 ASN H 4.000 . 4.000 3.988 3.813 4.104 0.104 12 0 "[ . 1 . 2 . 3]" 1
438 1 52 GLN HA 1 55 ARG H 5.300 . 5.300 5.132 4.608 5.345 0.045 21 0 "[ . 1 . 2 . 3]" 1
439 1 52 GLN HB2 1 53 GLY H 4.110 . 4.110 3.830 3.425 4.129 0.019 16 0 "[ . 1 . 2 . 3]" 1
440 1 52 GLN HB2 1 55 ARG H 4.310 . 4.310 3.750 3.232 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 52 GLN QG 1 53 GLY H 4.060 . 4.060 3.998 3.743 4.157 0.097 24 0 "[ . 1 . 2 . 3]" 1
442 1 52 GLN H 1 52 GLN HB2 2.710 . 2.710 2.570 2.439 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 52 GLN H 1 52 GLN QG 3.280 . 3.280 2.206 1.884 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 52 GLN H 1 53 GLY H 4.670 . 4.670 4.607 4.527 4.671 0.001 3 0 "[ . 1 . 2 . 3]" 1
445 1 53 GLY QA 1 55 ARG H 4.140 . 4.140 3.777 3.497 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 53 GLY HA3 1 54 ASN H 3.580 . 3.580 3.186 2.994 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 53 GLY HA3 1 55 ARG H 4.980 . 4.980 4.822 4.502 5.001 0.021 12 0 "[ . 1 . 2 . 3]" 1
448 1 53 GLY HA2 1 54 ASN H 3.580 . 3.580 3.246 2.818 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 53 GLY HA2 1 55 ARG H 4.980 . 4.980 3.951 3.600 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 53 GLY H 1 54 ASN HA 5.120 . 5.120 5.147 5.058 5.208 0.088 7 0 "[ . 1 . 2 . 3]" 1
451 1 53 GLY H 1 54 ASN H 3.160 . 3.160 2.740 2.562 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 53 GLY H 1 55 ARG H 4.690 . 4.690 4.619 4.107 4.753 0.063 5 0 "[ . 1 . 2 . 3]" 1
453 1 54 ASN QB 1 55 ARG H 3.790 . 3.790 2.661 2.274 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 54 ASN HB3 1 55 ARG H 4.320 . 4.320 3.515 2.472 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 54 ASN HB2 1 55 ARG H 4.320 . 4.320 2.943 2.304 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 54 ASN H 1 54 ASN HA 2.910 . 2.910 2.842 2.788 2.926 0.016 4 0 "[ . 1 . 2 . 3]" 1
457 1 54 ASN H 1 54 ASN HB3 3.740 . 3.740 3.452 2.414 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 54 ASN H 1 54 ASN HB2 3.740 . 3.740 2.509 2.374 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 54 ASN H 1 55 ARG HG2 4.730 . 4.730 4.555 3.630 4.779 0.049 13 0 "[ . 1 . 2 . 3]" 1
460 1 54 ASN H 1 55 ARG H 3.080 . 3.080 2.476 1.923 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 55 ARG HA 1 55 ARG HG2 3.620 . 3.620 3.648 3.622 3.697 0.077 15 0 "[ . 1 . 2 . 3]" 1
462 1 55 ARG HA 1 56 LEU H 2.750 . 2.750 2.265 1.960 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 55 ARG QB 1 56 LEU H 3.600 . 3.600 2.557 2.072 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 55 ARG QD 1 99 GLN QE 4.360 . 4.360 3.480 2.185 4.432 0.072 30 0 "[ . 1 . 2 . 3]" 1
465 1 55 ARG HG3 1 56 LEU H 4.340 . 4.340 4.076 3.633 4.484 0.144 7 0 "[ . 1 . 2 . 3]" 1
466 1 55 ARG HG3 1 99 GLN HE21 5.500 . 5.500 2.548 1.922 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 55 ARG HG3 1 99 GLN HE22 5.500 . 5.500 3.218 2.485 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 55 ARG HG2 1 99 GLN HE21 5.500 . 5.500 3.779 2.731 5.582 0.082 15 0 "[ . 1 . 2 . 3]" 1
469 1 55 ARG HG2 1 99 GLN HE22 5.500 . 5.500 3.925 3.241 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 55 ARG H 1 55 ARG HG2 2.960 . 2.960 2.864 2.420 3.008 0.048 5 0 "[ . 1 . 2 . 3]" 1
471 1 55 ARG H 1 56 LEU QD 4.640 . 4.640 4.349 3.835 4.688 0.048 19 0 "[ . 1 . 2 . 3]" 1
472 1 55 ARG H 1 56 LEU H 4.340 . 4.340 4.187 3.843 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 56 LEU HA 1 56 LEU QD 3.190 . 3.190 2.093 2.032 2.139 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 56 LEU HA 1 56 LEU MD1 4.060 . 4.060 3.873 3.841 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 56 LEU HA 1 56 LEU MD2 4.060 . 4.060 2.102 2.040 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 56 LEU HA 1 57 LEU H 3.110 . 3.110 2.241 2.190 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 56 LEU HA 1 98 TRP HD1 5.130 . 5.130 4.867 4.449 5.141 0.011 13 0 "[ . 1 . 2 . 3]" 1
478 1 56 LEU HB2 1 57 LEU H 4.560 . 4.560 3.761 3.718 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 56 LEU HB2 1 98 TRP HD1 3.870 . 3.870 2.378 1.995 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 56 LEU HB2 1 98 TRP HE1 4.260 . 4.260 3.519 2.786 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 56 LEU QD 1 57 LEU H 4.120 . 4.120 3.402 3.245 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 56 LEU QD 1 98 TRP HD1 3.250 . 3.250 3.190 2.814 3.290 0.040 28 0 "[ . 1 . 2 . 3]" 1
483 1 56 LEU QD 1 98 TRP HE1 2.980 . 2.980 2.573 2.043 3.005 0.025 2 0 "[ . 1 . 2 . 3]" 1
484 1 56 LEU HG 1 98 TRP HD1 5.160 . 5.160 3.634 3.210 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 56 LEU HG 1 98 TRP HE1 4.860 . 4.860 4.375 3.918 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 56 LEU H 1 56 LEU HB2 3.430 . 3.430 2.440 2.378 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 56 LEU H 1 56 LEU MD1 3.750 . 3.750 3.658 3.504 3.770 0.020 29 0 "[ . 1 . 2 . 3]" 1
488 1 56 LEU H 1 56 LEU MD2 3.750 . 3.750 3.512 3.374 3.754 0.004 3 0 "[ . 1 . 2 . 3]" 1
489 1 56 LEU H 1 56 LEU HG 4.540 . 4.540 2.477 2.314 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 56 LEU H 1 57 LEU H 4.800 . 4.800 4.551 4.513 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 56 LEU H 1 98 TRP HD1 4.170 . 4.170 2.644 2.205 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 56 LEU H 1 99 GLN H 4.640 . 4.640 4.183 3.648 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 57 LEU HA 1 57 LEU QD 3.250 . 3.250 2.062 1.921 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 57 LEU HA 1 57 LEU MD1 4.060 . 4.060 2.646 1.948 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 57 LEU HA 1 57 LEU MD2 4.060 . 4.060 2.816 1.968 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 57 LEU HA 1 99 GLN HB3 5.390 . 5.390 5.142 4.800 5.418 0.028 6 0 "[ . 1 . 2 . 3]" 1
497 1 57 LEU HA 1 99 GLN HB2 5.260 . 5.260 4.904 4.542 5.330 0.070 3 0 "[ . 1 . 2 . 3]" 1
498 1 57 LEU HA 1 99 GLN H 3.750 . 3.750 2.943 2.422 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 57 LEU HA 1 100 THR HA 4.980 . 4.980 3.633 3.331 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 57 LEU QD 1 99 GLN HB3 5.430 . 5.430 4.762 4.264 5.484 0.054 15 0 "[ . 1 . 2 . 3]" 1
501 1 57 LEU QD 1 99 GLN HB2 4.800 . 4.800 3.973 3.372 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 57 LEU QD 1 99 GLN QE 4.640 . 4.640 3.667 2.507 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 57 LEU QD 1 99 GLN QG 4.530 . 4.530 2.416 1.946 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 57 LEU QD 1 99 GLN H 4.440 . 4.440 3.877 3.375 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 57 LEU QD 1 100 THR HA 3.290 . 3.290 1.867 1.795 2.237 0.005 16 0 "[ . 1 . 2 . 3]" 1
506 1 57 LEU QD 1 100 THR HB 4.540 . 4.540 3.384 2.989 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 57 LEU QD 1 100 THR MG 4.410 . 4.410 3.971 3.669 4.434 0.024 28 0 "[ . 1 . 2 . 3]" 1
508 1 57 LEU QD 1 100 THR H 3.970 . 3.970 3.651 3.291 4.025 0.055 15 0 "[ . 1 . 2 . 3]" 1
509 1 57 LEU QD 1 101 TYR HA 5.090 . 5.090 4.314 3.833 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 57 LEU QD 1 101 TYR QD 3.440 . 3.440 2.474 2.016 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 57 LEU QD 1 101 TYR QE 3.610 . 3.610 2.433 2.095 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 57 LEU QD 1 101 TYR H 3.550 . 3.550 2.851 2.354 3.567 0.017 28 0 "[ . 1 . 2 . 3]" 1
513 1 57 LEU QD 1 125 VAL QG 4.630 . 4.630 1.986 1.772 2.488 0.028 4 0 "[ . 1 . 2 . 3]" 1
514 1 57 LEU MD1 1 101 TYR QD 3.940 . 3.940 2.867 2.103 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 57 LEU MD1 1 101 TYR QE 4.210 . 4.210 3.229 2.299 4.242 0.032 23 0 "[ . 1 . 2 . 3]" 1
516 1 57 LEU MD2 1 101 TYR QD 3.940 . 3.940 2.834 2.298 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 57 LEU MD2 1 101 TYR QE 4.210 . 4.210 2.673 2.114 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 57 LEU H 1 57 LEU HB3 3.480 . 3.480 2.569 2.313 3.496 0.016 28 0 "[ . 1 . 2 . 3]" 1
519 1 57 LEU H 1 57 LEU HB2 3.480 . 3.480 2.521 2.183 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 57 LEU H 1 57 LEU QD 4.310 . 4.310 3.699 3.422 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 57 LEU H 1 58 ALA H 5.120 . 5.120 4.399 4.305 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 57 LEU H 1 99 GLN QG 5.340 . 5.340 4.426 3.939 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 57 LEU H 1 99 GLN H 5.500 . 5.500 4.834 4.668 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 58 ALA HA 1 59 PRO QD 3.540 . 3.540 2.028 1.949 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 58 ALA MB 1 59 PRO QD 4.230 . 4.230 2.199 2.020 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 58 ALA MB 1 98 TRP QB 4.260 . 4.260 2.119 1.869 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 58 ALA MB 1 98 TRP HE3 3.750 . 3.750 2.677 2.338 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 58 ALA MB 1 99 GLN H 4.280 . 4.280 3.573 3.196 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 59 PRO HA 1 60 ASN H 3.370 . 3.370 2.243 2.138 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 59 PRO HA 1 61 GLU H 3.960 . 3.960 3.862 3.570 4.006 0.046 23 0 "[ . 1 . 2 . 3]" 1
531 1 59 PRO HA 1 126 ASN H 5.460 . 5.460 4.464 4.068 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 59 PRO QB 1 60 ASN H 3.970 . 3.970 2.861 2.690 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 59 PRO QB 1 61 GLU H 4.350 . 4.350 3.489 3.207 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 59 PRO QB 1 124 THR H 4.010 . 4.010 2.839 2.383 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 59 PRO HB3 1 124 THR H 4.630 . 4.630 2.940 2.425 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 59 PRO HB2 1 124 THR H 4.630 . 4.630 3.868 3.464 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 59 PRO QG 1 62 TYR QE 4.530 . 4.530 3.419 3.095 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 60 ASN HA 1 62 TYR QE 3.540 . 3.540 2.565 2.230 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 60 ASN HA 1 100 THR HB 4.840 . 4.840 4.529 3.897 4.847 0.007 28 0 "[ . 1 . 2 . 3]" 1
540 1 60 ASN HA 1 100 THR MG 4.300 . 4.300 3.235 2.515 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 60 ASN HA 1 104 VAL HA 4.080 . 4.080 2.942 2.612 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 60 ASN HA 1 104 VAL QG 3.950 . 3.950 2.447 2.094 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 60 ASN HA 1 104 VAL MG1 4.730 . 4.730 3.352 2.563 4.783 0.053 15 0 "[ . 1 . 2 . 3]" 1
544 1 60 ASN HA 1 104 VAL MG2 4.730 . 4.730 2.628 2.097 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 60 ASN HB3 1 62 TYR QE 5.500 . 5.500 4.890 4.551 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 60 ASN HB3 1 100 THR MG 4.790 . 4.790 2.359 1.933 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 60 ASN HB3 1 104 VAL HA 4.480 . 4.480 3.869 3.517 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 60 ASN HB2 1 62 TYR QE 4.960 . 4.960 4.897 4.576 5.019 0.059 1 0 "[ . 1 . 2 . 3]" 1
549 1 60 ASN HB2 1 100 THR MG 4.180 . 4.180 3.080 2.573 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 60 ASN HB2 1 104 VAL HA 4.050 . 4.050 2.505 1.935 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 60 ASN HB2 1 104 VAL QG 4.580 . 4.580 3.273 2.525 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 60 ASN HB2 1 105 VAL H 4.390 . 4.390 3.647 3.343 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 60 ASN QD 1 126 ASN H 3.830 . 3.830 2.865 2.243 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 60 ASN H 1 61 GLU H 3.320 . 3.320 1.852 1.781 1.998 0.019 21 0 "[ . 1 . 2 . 3]" 1
555 1 60 ASN H 1 62 TYR QE 4.700 . 4.700 4.185 3.876 4.706 0.006 14 0 "[ . 1 . 2 . 3]" 1
556 1 60 ASN H 1 125 VAL HA 3.670 . 3.670 2.395 1.796 2.546 0.004 14 0 "[ . 1 . 2 . 3]" 1
557 1 60 ASN H 1 125 VAL MG1 4.180 . 4.180 3.976 3.667 4.241 0.061 4 0 "[ . 1 . 2 . 3]" 1
558 1 60 ASN H 1 125 VAL MG2 4.180 . 4.180 3.520 2.931 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 60 ASN H 1 126 ASN H 4.190 . 4.190 3.310 3.033 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 61 GLU HA 1 61 GLU HG3 4.030 . 4.030 2.738 2.492 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 61 GLU HA 1 61 GLU HG2 4.030 . 4.030 3.299 2.581 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 61 GLU HA 1 62 TYR HA 4.980 . 4.980 4.366 4.299 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 61 GLU HA 1 62 TYR H 3.280 . 3.280 2.121 2.030 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 61 GLU HA 1 105 VAL QG 3.510 . 3.510 2.301 2.025 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 61 GLU QB 1 62 TYR H 3.950 . 3.950 3.852 3.305 3.977 0.027 15 0 "[ . 1 . 2 . 3]" 1
566 1 61 GLU QB 1 105 VAL QG 3.820 . 3.820 3.047 2.434 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 61 GLU QB 1 124 THR H 5.190 . 5.190 3.322 2.568 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 61 GLU QB 1 125 VAL QG 5.280 . 5.280 4.901 4.493 5.329 0.049 17 0 "[ . 1 . 2 . 3]" 1
569 1 61 GLU QB 1 126 ASN HA 5.090 . 5.090 4.761 4.357 5.189 0.099 17 0 "[ . 1 . 2 . 3]" 1
570 1 61 GLU QB 1 126 ASN QB 4.030 . 4.030 2.509 1.952 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 61 GLU HB3 1 62 TYR H 4.500 . 4.500 4.331 4.179 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 61 GLU HB2 1 62 TYR H 4.500 . 4.500 4.332 3.423 4.527 0.027 10 0 "[ . 1 . 2 . 3]" 1
573 1 61 GLU QG 1 62 TYR H 3.940 . 3.940 3.257 2.713 3.945 0.005 17 0 "[ . 1 . 2 . 3]" 1
574 1 61 GLU QG 1 105 VAL QG 4.820 . 4.820 2.778 1.988 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 61 GLU QG 1 124 THR H 4.500 . 4.500 4.074 2.729 4.611 0.111 10 0 "[ . 1 . 2 . 3]" 1
576 1 61 GLU QG 1 126 ASN QB 4.560 . 4.560 3.836 2.300 4.652 0.092 24 0 "[ . 1 . 2 . 3]" 1
577 1 61 GLU H 1 61 GLU QB 3.470 . 3.470 2.341 2.170 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 61 GLU H 1 61 GLU QG 4.500 . 4.500 3.930 2.481 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 61 GLU H 1 62 TYR QE 4.750 . 4.750 4.443 4.119 4.770 0.020 14 0 "[ . 1 . 2 . 3]" 1
580 1 61 GLU H 1 62 TYR H 4.720 . 4.720 4.211 4.093 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 61 GLU H 1 124 THR H 4.090 . 4.090 3.385 3.040 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 61 GLU H 1 125 VAL HA 4.320 . 4.320 3.372 2.577 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 61 GLU H 1 125 VAL QG 4.510 . 4.510 4.392 4.054 4.550 0.040 1 0 "[ . 1 . 2 . 3]" 1
584 1 61 GLU H 1 125 VAL MG1 5.210 . 5.210 5.104 4.808 5.248 0.038 4 0 "[ . 1 . 2 . 3]" 1
585 1 61 GLU H 1 125 VAL MG2 5.210 . 5.210 4.802 4.218 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 61 GLU H 1 126 ASN H 4.540 . 4.540 3.385 3.137 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 62 TYR HA 1 63 ILE H 3.140 . 3.140 2.063 1.970 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 62 TYR HA 1 64 ILE MD 5.430 . 5.430 4.543 3.776 5.494 0.064 9 0 "[ . 1 . 2 . 3]" 1
589 1 62 TYR HA 1 106 VAL QG 5.440 . 5.440 4.357 4.050 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 62 TYR HA 1 122 ARG QB 5.340 . 5.340 4.733 4.119 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 62 TYR HA 1 122 ARG H 4.800 . 4.800 4.298 3.966 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 62 TYR HA 1 123 GLY QA 3.500 . 3.500 2.253 1.962 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 62 TYR HA 1 123 GLY HA3 4.010 . 4.010 3.775 3.171 4.048 0.038 29 0 "[ . 1 . 2 . 3]" 1
594 1 62 TYR HA 1 123 GLY HA2 4.010 . 4.010 2.270 1.976 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 62 TYR HA 1 123 GLY H 4.840 . 4.840 4.662 4.296 4.858 0.018 12 0 "[ . 1 . 2 . 3]" 1
596 1 62 TYR HA 1 124 THR H 4.200 . 4.200 3.400 2.909 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 62 TYR QB 1 63 ILE H 3.710 . 3.710 3.270 3.024 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 62 TYR QB 1 64 ILE MD 4.810 . 4.810 2.726 2.154 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 62 TYR QB 1 106 VAL HA 4.000 . 4.000 2.403 1.983 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 62 TYR QB 1 106 VAL QG 3.830 . 3.830 1.937 1.818 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 62 TYR HB3 1 63 ILE H 4.380 . 4.380 3.400 3.114 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 62 TYR HB3 1 106 VAL HA 4.580 . 4.580 3.794 3.191 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 62 TYR HB2 1 63 ILE H 4.380 . 4.380 4.255 4.103 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 62 TYR HB2 1 106 VAL HA 4.580 . 4.580 2.431 2.003 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 62 TYR QD 1 63 ILE H 4.720 . 4.720 4.317 4.054 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 62 TYR QD 1 89 LEU QD 4.310 . 4.310 3.229 2.712 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 62 TYR QD 1 89 LEU MD1 5.110 . 5.110 4.059 2.895 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 62 TYR QD 1 89 LEU MD2 5.110 . 5.110 3.871 2.732 5.119 0.009 6 0 "[ . 1 . 2 . 3]" 1
609 1 62 TYR QD 1 105 VAL HA 5.500 . 5.500 5.348 5.018 5.529 0.029 19 0 "[ . 1 . 2 . 3]" 1
610 1 62 TYR QD 1 105 VAL H 4.340 . 4.340 3.658 3.050 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 62 TYR QE 1 89 LEU QD 4.060 . 4.060 2.703 2.239 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 62 TYR QE 1 104 VAL HA 4.820 . 4.820 4.389 3.918 4.831 0.011 8 0 "[ . 1 . 2 . 3]" 1
613 1 62 TYR QE 1 104 VAL QG 3.560 . 3.560 2.442 2.047 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 62 TYR QE 1 104 VAL MG1 5.080 . 5.080 3.079 2.092 5.090 0.010 8 0 "[ . 1 . 2 . 3]" 1
615 1 62 TYR QE 1 104 VAL MG2 5.080 . 5.080 3.269 2.052 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 62 TYR QE 1 105 VAL H 5.340 . 5.340 4.770 4.342 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 62 TYR QE 1 123 GLY QA 4.430 . 4.430 2.898 2.618 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 62 TYR QE 1 123 GLY HA3 5.070 . 5.070 2.984 2.680 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 62 TYR QE 1 123 GLY HA2 5.070 . 5.070 3.982 3.629 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 62 TYR H 1 62 TYR HB3 4.110 . 4.110 3.727 3.659 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 62 TYR H 1 62 TYR HB2 4.110 . 4.110 2.559 2.443 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 62 TYR H 1 62 TYR QD 3.890 . 3.890 2.686 2.409 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 62 TYR H 1 62 TYR QE 5.390 . 5.390 4.816 4.550 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 62 TYR H 1 63 ILE H 4.810 . 4.810 4.214 4.099 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 62 TYR H 1 104 VAL QG 5.440 . 5.440 4.381 3.988 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 62 TYR H 1 106 VAL QG 4.590 . 4.590 3.553 3.050 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 63 ILE HA 1 63 ILE QG 3.660 . 3.660 2.545 2.380 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 63 ILE HA 1 63 ILE MG 3.380 . 3.380 2.382 2.289 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 63 ILE QG 1 107 ARG H 4.960 . 4.960 4.303 3.399 4.989 0.029 22 0 "[ . 1 . 2 . 3]" 1
630 1 63 ILE QG 1 122 ARG H 5.340 . 5.340 4.931 4.586 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 63 ILE QG 1 63 ILE MG 3.120 . 3.120 2.298 2.073 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 63 ILE HG13 1 63 ILE MG 3.640 . 3.640 3.029 2.330 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 63 ILE HG12 1 63 ILE MG 3.640 . 3.640 2.479 2.202 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 63 ILE MG 1 107 ARG HD3 5.500 . 5.500 4.584 2.617 5.534 0.034 15 0 "[ . 1 . 2 . 3]" 1
635 1 63 ILE MG 1 107 ARG HD2 5.500 . 5.500 4.353 2.485 5.562 0.062 9 0 "[ . 1 . 2 . 3]" 1
636 1 63 ILE MG 1 108 PHE HA 4.940 . 4.940 4.581 3.547 4.987 0.047 26 0 "[ . 1 . 2 . 3]" 1
637 1 63 ILE MG 1 109 GLU QG 3.930 . 3.930 2.688 2.062 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 63 ILE MG 1 109 GLU HG3 4.550 . 4.550 3.563 2.433 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 63 ILE MG 1 109 GLU HG2 4.550 . 4.550 2.828 2.091 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 63 ILE MG 1 109 GLU H 4.670 . 4.670 4.284 3.564 4.676 0.006 22 0 "[ . 1 . 2 . 3]" 1
641 1 63 ILE H 1 63 ILE HB 3.530 . 3.530 2.622 2.470 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 63 ILE H 1 63 ILE QG 4.360 . 4.360 2.672 2.361 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 63 ILE H 1 64 ILE QG 4.940 . 4.940 4.523 3.829 4.981 0.041 30 0 "[ . 1 . 2 . 3]" 1
644 1 63 ILE H 1 64 ILE H 5.130 . 5.130 4.228 4.096 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 63 ILE H 1 123 GLY QA 4.160 . 4.160 3.467 3.164 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 64 ILE HA 1 64 ILE QG 3.670 . 3.670 2.507 2.398 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 64 ILE HA 1 64 ILE MG 3.590 . 3.590 2.405 2.324 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 64 ILE HA 1 65 THR H 3.240 . 3.240 2.106 2.041 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 64 ILE HA 1 108 PHE HA 5.500 . 5.500 4.758 4.549 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 64 ILE HA 1 120 ARG QB 5.340 . 5.340 4.642 3.824 5.342 0.002 17 0 "[ . 1 . 2 . 3]" 1
651 1 64 ILE HA 1 120 ARG H 4.900 . 4.900 4.471 4.170 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 64 ILE HA 1 121 ALA HA 3.400 . 3.400 2.165 1.953 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 64 ILE HA 1 121 ALA MB 4.400 . 4.400 3.171 2.644 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 64 ILE HA 1 122 ARG H 4.120 . 4.120 3.529 3.306 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 64 ILE HB 1 108 PHE HA 4.600 . 4.600 2.628 2.245 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 64 ILE HB 1 108 PHE QD 3.890 . 3.890 2.883 1.938 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 64 ILE HB 1 108 PHE QE 4.450 . 4.450 3.598 3.119 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 64 ILE QG 1 65 THR H 5.140 . 5.140 4.252 3.981 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 64 ILE QG 1 122 ARG H 3.980 . 3.980 3.890 3.579 4.054 0.074 3 0 "[ . 1 . 2 . 3]" 1
660 1 64 ILE MG 1 65 THR H 3.490 . 3.490 2.801 2.436 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 64 ILE MG 1 66 LEU QD 4.040 . 4.040 1.961 1.810 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 64 ILE MG 1 66 LEU H 4.060 . 4.060 4.075 3.802 4.127 0.067 6 0 "[ . 1 . 2 . 3]" 1
663 1 64 ILE MG 1 108 PHE HA 5.010 . 5.010 3.661 2.894 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 64 ILE MG 1 108 PHE QD 3.740 . 3.740 2.700 2.272 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 64 ILE MG 1 108 PHE QE 3.940 . 3.940 2.654 2.348 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 64 ILE MG 1 109 GLU H 4.330 . 4.330 4.162 3.609 4.384 0.054 24 0 "[ . 1 . 2 . 3]" 1
667 1 64 ILE MG 1 120 ARG H 3.810 . 3.810 3.632 3.032 3.851 0.041 25 0 "[ . 1 . 2 . 3]" 1
668 1 64 ILE MG 1 121 ALA HA 4.560 . 4.560 3.348 2.996 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 64 ILE MG 1 122 ARG H 5.500 . 5.500 5.014 4.627 5.388 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 64 ILE H 1 109 GLU H 4.720 . 4.720 4.063 3.775 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 65 THR HA 1 65 THR MG 3.290 . 3.290 2.308 2.193 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 65 THR HA 1 66 LEU HB2 4.720 . 4.720 4.345 4.180 4.722 0.002 27 0 "[ . 1 . 2 . 3]" 1
673 1 65 THR HA 1 66 LEU QD 4.060 . 4.060 3.585 3.169 4.069 0.009 21 0 "[ . 1 . 2 . 3]" 1
674 1 65 THR HA 1 66 LEU H 3.080 . 3.080 2.117 2.042 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 65 THR HA 1 108 PHE HA 5.500 . 5.500 4.231 3.867 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 65 THR HA 1 109 GLU HB3 5.500 . 5.500 4.986 3.519 5.533 0.033 2 0 "[ . 1 . 2 . 3]" 1
677 1 65 THR HA 1 109 GLU HB2 5.500 . 5.500 4.649 2.130 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 65 THR HA 1 109 GLU HG3 4.330 . 4.330 2.960 2.085 4.398 0.068 24 0 "[ . 1 . 2 . 3]" 1
679 1 65 THR HA 1 109 GLU HG2 4.330 . 4.330 3.341 2.674 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 65 THR HA 1 109 GLU H 3.640 . 3.640 2.675 2.362 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 65 THR HA 1 110 GLN HA 5.040 . 5.040 3.988 3.505 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 65 THR HB 1 66 LEU H 4.630 . 4.630 4.139 3.859 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 65 THR HB 1 120 ARG H 3.690 . 3.690 3.435 3.052 3.713 0.023 1 0 "[ . 1 . 2 . 3]" 1
684 1 65 THR MG 1 66 LEU H 3.350 . 3.350 2.818 2.608 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 65 THR MG 1 109 GLU QG 4.420 . 4.420 2.341 1.919 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 65 THR MG 1 109 GLU HG3 5.130 . 5.130 2.454 1.935 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 65 THR MG 1 109 GLU HG2 5.130 . 5.130 3.644 1.936 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 65 THR MG 1 109 GLU H 4.250 . 4.250 4.089 3.750 4.284 0.034 2 0 "[ . 1 . 2 . 3]" 1
689 1 65 THR MG 1 110 GLN HA 4.010 . 4.010 3.179 2.609 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 65 THR MG 1 111 SER HA 4.000 . 4.000 3.888 3.514 4.085 0.085 4 0 "[ . 1 . 2 . 3]" 1
691 1 65 THR MG 1 111 SER QB 3.590 . 3.590 2.179 1.846 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 65 THR MG 1 111 SER H 3.460 . 3.460 3.241 2.803 3.516 0.056 18 0 "[ . 1 . 2 . 3]" 1
693 1 65 THR MG 1 112 SER H 5.500 . 5.500 5.421 5.145 5.573 0.073 25 0 "[ . 1 . 2 . 3]" 1
694 1 65 THR MG 1 120 ARG H 4.590 . 4.590 4.459 4.078 4.619 0.029 18 0 "[ . 1 . 2 . 3]" 1
695 1 65 THR H 1 65 THR HB 3.680 . 3.680 2.629 2.483 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 65 THR H 1 65 THR MG 4.350 . 4.350 3.824 3.750 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 65 THR H 1 66 LEU QD 4.640 . 4.640 3.607 3.159 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 65 THR H 1 66 LEU H 4.890 . 4.890 4.257 4.082 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 65 THR H 1 120 ARG HA 4.920 . 4.920 4.740 4.463 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 65 THR H 1 120 ARG H 3.800 . 3.800 3.000 2.742 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 65 THR H 1 121 ALA HA 4.170 . 4.170 3.382 2.944 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 65 THR H 1 121 ALA MB 5.470 . 5.470 4.266 3.839 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 65 THR H 1 121 ALA H 5.500 . 5.500 4.804 4.523 5.001 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 65 THR H 1 122 ARG H 5.420 . 5.420 4.864 4.496 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 66 LEU HA 1 66 LEU QD 3.220 . 3.220 2.096 1.910 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 66 LEU HA 1 66 LEU MD1 3.900 . 3.900 2.194 2.013 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 66 LEU HA 1 66 LEU MD2 3.900 . 3.900 2.679 2.302 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 66 LEU HA 1 119 PHE HA 4.120 . 4.120 2.724 2.150 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 66 LEU HA 1 119 PHE HB2 5.020 . 5.020 3.449 2.560 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 66 LEU HB3 1 67 GLY H 4.540 . 4.540 2.348 1.956 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 66 LEU HB3 1 70 ASP QB 4.950 . 4.950 2.397 1.907 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 66 LEU HB3 1 71 PHE QD 4.890 . 4.890 4.125 3.307 4.928 0.038 22 0 "[ . 1 . 2 . 3]" 1
713 1 66 LEU HB3 1 71 PHE H 4.560 . 4.560 3.382 2.923 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 66 LEU HB3 1 74 LEU QD 4.660 . 4.660 3.585 3.100 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 66 LEU HB2 1 67 GLY H 4.760 . 4.760 3.723 3.251 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 66 LEU HB2 1 71 PHE HB2 5.000 . 5.000 3.095 2.196 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 66 LEU HB2 1 71 PHE QD 4.270 . 4.270 2.928 2.087 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 66 LEU HB2 1 71 PHE H 5.500 . 5.500 4.186 3.624 5.503 0.003 21 0 "[ . 1 . 2 . 3]" 1
719 1 66 LEU QD 1 70 ASP QB 4.010 . 4.010 2.237 1.915 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 66 LEU QD 1 70 ASP H 5.140 . 5.140 4.670 4.314 5.162 0.022 30 0 "[ . 1 . 2 . 3]" 1
721 1 66 LEU QD 1 71 PHE H 5.330 . 5.330 4.368 3.954 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 66 LEU QD 1 74 LEU QD 4.380 . 4.380 2.353 1.751 3.880 0.049 22 0 "[ . 1 . 2 . 3]" 1
723 1 66 LEU QD 1 119 PHE HA 3.300 . 3.300 2.842 2.180 3.364 0.064 27 0 "[ . 1 . 2 . 3]" 1
724 1 66 LEU QD 1 119 PHE HB3 3.950 . 3.950 2.009 1.806 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 66 LEU QD 1 119 PHE HB2 3.610 . 3.610 2.135 1.998 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 66 LEU QD 1 119 PHE H 5.210 . 5.210 4.344 3.728 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 66 LEU QD 1 120 ARG HA 5.440 . 5.440 5.263 5.002 5.478 0.038 30 0 "[ . 1 . 2 . 3]" 1
728 1 66 LEU QD 1 120 ARG H 3.590 . 3.590 3.329 2.940 3.608 0.018 1 0 "[ . 1 . 2 . 3]" 1
729 1 66 LEU MD1 1 67 GLY H 4.540 . 4.540 2.968 2.179 4.560 0.020 22 0 "[ . 1 . 2 . 3]" 1
730 1 66 LEU MD1 1 119 PHE HA 3.890 . 3.890 2.995 2.249 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 66 LEU MD1 1 119 PHE HB2 4.350 . 4.350 2.422 2.060 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 66 LEU MD2 1 67 GLY H 4.540 . 4.540 4.221 3.517 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 66 LEU MD2 1 119 PHE HA 3.890 . 3.890 3.621 2.922 3.921 0.031 25 0 "[ . 1 . 2 . 3]" 1
734 1 66 LEU MD2 1 119 PHE HB2 4.350 . 4.350 2.496 2.087 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 66 LEU HG 1 67 GLY H 4.830 . 4.830 4.334 3.829 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 66 LEU HG 1 119 PHE HB2 4.530 . 4.530 4.246 1.963 4.641 0.111 13 0 "[ . 1 . 2 . 3]" 1
737 1 66 LEU H 1 66 LEU HB2 3.950 . 3.950 2.427 2.250 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 66 LEU H 1 66 LEU QD 4.340 . 4.340 2.858 2.505 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 66 LEU H 1 67 GLY H 5.160 . 5.160 4.457 4.371 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 66 LEU H 1 71 PHE QD 4.560 . 4.560 4.020 3.426 4.565 0.005 10 0 "[ . 1 . 2 . 3]" 1
741 1 66 LEU H 1 109 GLU H 3.900 . 3.900 3.551 3.247 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 66 LEU H 1 110 GLN HA 3.830 . 3.830 2.790 2.494 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 66 LEU H 1 120 ARG H 5.500 . 5.500 4.998 4.796 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 67 GLY QA 1 111 SER H 3.950 . 3.950 2.954 2.522 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 67 GLY HA3 1 68 VAL H 3.430 . 3.430 2.777 2.443 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 67 GLY HA2 1 68 VAL H 3.430 . 3.430 2.390 2.178 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 67 GLY H 1 68 VAL H 4.690 . 4.690 4.541 4.317 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 68 VAL HA 1 71 PHE H 4.250 . 4.250 3.398 3.045 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 68 VAL HB 1 69 HIS H 4.030 . 4.030 3.577 2.107 4.054 0.024 16 0 "[ . 1 . 2 . 3]" 1
750 1 68 VAL HB 1 71 PHE H 5.500 . 5.500 5.549 5.415 5.645 0.145 25 0 "[ . 1 . 2 . 3]" 1
751 1 68 VAL QG 1 69 HIS H 3.290 . 3.290 2.427 1.848 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 68 VAL QG 1 70 ASP H 4.720 . 4.720 4.211 3.855 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 68 VAL QG 1 71 PHE H 4.700 . 4.700 4.335 4.109 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 68 VAL QG 1 110 GLN QE 3.980 . 3.980 2.904 1.795 3.962 0.005 27 0 "[ . 1 . 2 . 3]" 1
755 1 68 VAL MG1 1 69 HIS H 3.890 . 3.890 2.501 1.859 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 68 VAL MG1 1 70 ASP H 5.500 . 5.500 4.501 4.036 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 68 VAL MG1 1 71 PHE H 5.500 . 5.500 4.975 4.753 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 68 VAL MG2 1 69 HIS H 3.890 . 3.890 3.619 3.219 3.904 0.014 21 0 "[ . 1 . 2 . 3]" 1
759 1 68 VAL MG2 1 70 ASP H 5.500 . 5.500 5.086 4.878 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 68 VAL MG2 1 71 PHE H 5.500 . 5.500 4.819 4.404 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 68 VAL H 1 68 VAL HB 3.110 . 3.110 2.604 2.467 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 68 VAL H 1 68 VAL QG 2.840 . 2.840 2.020 1.887 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 68 VAL H 1 68 VAL MG1 3.900 . 3.900 2.513 1.937 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 68 VAL H 1 68 VAL MG2 3.900 . 3.900 3.312 1.892 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 68 VAL H 1 69 HIS H 3.450 . 3.450 2.762 2.518 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 68 VAL H 1 111 SER H 4.920 . 4.920 3.799 2.957 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 69 HIS QB 1 70 ASP H 3.590 . 3.590 2.688 2.298 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 69 HIS H 1 69 HIS QB 2.830 . 2.830 2.245 2.130 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 69 HIS H 1 69 HIS HB3 3.240 . 3.240 2.494 2.265 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 69 HIS H 1 69 HIS HB2 3.240 . 3.240 2.566 2.367 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 69 HIS H 1 70 ASP H 3.550 . 3.550 2.592 2.365 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 70 ASP HA 1 73 LYS QG 4.770 . 4.770 3.567 2.126 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 70 ASP HA 1 73 LYS H 3.920 . 3.920 3.387 2.880 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 70 ASP HA 1 74 LEU H 4.960 . 4.960 4.562 4.174 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 70 ASP QB 1 71 PHE HA 4.870 . 4.870 3.902 3.538 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 70 ASP QB 1 71 PHE H 4.090 . 4.090 2.732 2.153 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 70 ASP H 1 70 ASP QB 3.180 . 3.180 2.420 2.088 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 70 ASP H 1 70 ASP HB3 3.640 . 3.640 3.440 2.655 3.653 0.013 7 0 "[ . 1 . 2 . 3]" 1
779 1 70 ASP H 1 70 ASP HB2 3.640 . 3.640 2.521 2.147 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 70 ASP H 1 71 PHE H 3.430 . 3.430 2.467 2.210 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 70 ASP H 1 73 LYS H 5.160 . 5.160 4.913 4.575 5.192 0.032 15 0 "[ . 1 . 2 . 3]" 1
782 1 71 PHE HA 1 71 PHE QD 3.750 . 3.750 2.755 2.494 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 71 PHE HA 1 74 LEU QD 3.930 . 3.930 2.270 1.938 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 71 PHE HA 1 74 LEU H 4.120 . 4.120 3.126 2.612 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 71 PHE HB3 1 72 GLU H 3.980 . 3.980 2.755 2.412 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 71 PHE HB2 1 72 GLU H 4.030 . 4.030 3.908 3.640 4.085 0.055 23 0 "[ . 1 . 2 . 3]" 1
787 1 71 PHE HB2 1 74 LEU QD 4.960 . 4.960 3.669 3.226 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 71 PHE HB2 1 74 LEU HG 4.770 . 4.770 4.769 4.562 4.856 0.086 23 0 "[ . 1 . 2 . 3]" 1
789 1 71 PHE HB2 1 110 GLN HA 5.150 . 5.150 3.579 2.990 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 71 PHE QD 1 72 GLU HA 4.450 . 4.450 3.728 3.257 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 71 PHE QD 1 72 GLU H 4.290 . 4.290 3.831 3.283 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 71 PHE QD 1 74 LEU QD 3.950 . 3.950 2.576 2.158 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 71 PHE QD 1 74 LEU HG 4.700 . 4.700 4.391 3.304 4.748 0.048 27 0 "[ . 1 . 2 . 3]" 1
794 1 71 PHE QD 1 109 GLU H 5.090 . 5.090 4.442 3.637 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 71 PHE QD 1 110 GLN HA 4.670 . 4.670 3.930 3.286 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 71 PHE QD 1 110 GLN QB 4.700 . 4.700 3.110 2.299 4.713 0.013 6 0 "[ . 1 . 2 . 3]" 1
797 1 71 PHE QD 1 110 GLN H 5.180 . 5.180 4.512 3.865 5.185 0.005 27 0 "[ . 1 . 2 . 3]" 1
798 1 71 PHE QE 1 108 PHE HA 5.000 . 5.000 4.344 3.845 5.020 0.020 19 0 "[ . 1 . 2 . 3]" 1
799 1 71 PHE QE 1 108 PHE QB 3.610 . 3.610 2.478 1.926 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 71 PHE QE 1 108 PHE HB3 4.240 . 4.240 2.678 1.983 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 71 PHE QE 1 108 PHE HB2 4.240 . 4.240 3.087 2.119 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 71 PHE QE 1 109 GLU HA 4.000 . 4.000 2.976 2.104 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 71 PHE QE 1 109 GLU H 4.410 . 4.410 3.925 3.402 4.417 0.007 10 0 "[ . 1 . 2 . 3]" 1
804 1 71 PHE QE 1 110 GLN H 4.900 . 4.900 4.413 3.772 4.916 0.016 24 0 "[ . 1 . 2 . 3]" 1
805 1 71 PHE H 1 71 PHE HB3 3.600 . 3.600 2.526 2.280 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 71 PHE H 1 71 PHE HB2 3.570 . 3.570 2.393 2.149 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 71 PHE H 1 71 PHE QD 4.020 . 4.020 4.081 3.980 4.110 0.090 23 0 "[ . 1 . 2 . 3]" 1
808 1 71 PHE H 1 72 GLU QB 4.840 . 4.840 4.669 4.122 4.889 0.049 22 0 "[ . 1 . 2 . 3]" 1
809 1 71 PHE H 1 72 GLU H 3.630 . 3.630 2.639 2.500 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 71 PHE H 1 73 LYS H 4.790 . 4.790 4.066 3.828 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 71 PHE H 1 74 LEU HG 5.380 . 5.380 4.515 4.092 5.426 0.046 16 0 "[ . 1 . 2 . 3]" 1
812 1 71 PHE H 1 74 LEU H 5.360 . 5.360 4.719 4.581 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 71 PHE HZ 1 109 GLU HA 5.090 . 5.090 3.893 3.155 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 72 GLU HA 1 72 GLU QG 3.490 . 3.490 2.744 2.303 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 72 GLU HA 1 72 GLU HG3 4.080 . 4.080 3.410 2.935 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 72 GLU HA 1 72 GLU HG2 4.080 . 4.080 2.933 2.332 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 72 GLU HB3 1 73 LYS H 3.820 . 3.820 3.777 2.664 3.925 0.105 13 0 "[ . 1 . 2 . 3]" 1
818 1 72 GLU HB3 1 74 LEU H 5.500 . 5.500 5.471 4.734 5.553 0.053 25 0 "[ . 1 . 2 . 3]" 1
819 1 72 GLU HB2 1 73 LYS H 3.820 . 3.820 3.121 2.488 3.884 0.064 21 0 "[ . 1 . 2 . 3]" 1
820 1 72 GLU HB2 1 74 LEU H 5.500 . 5.500 5.101 4.660 5.520 0.020 25 0 "[ . 1 . 2 . 3]" 1
821 1 72 GLU QG 1 73 LYS H 4.850 . 4.850 3.646 2.143 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 72 GLU H 1 72 GLU QB 3.060 . 3.060 2.422 1.878 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 72 GLU H 1 72 GLU HB3 3.540 . 3.540 3.246 2.452 3.600 0.060 23 0 "[ . 1 . 2 . 3]" 1
824 1 72 GLU H 1 72 GLU HB2 3.540 . 3.540 2.763 1.936 3.607 0.067 2 0 "[ . 1 . 2 . 3]" 1
825 1 72 GLU H 1 72 GLU QG 3.390 . 3.390 2.225 1.912 3.552 0.162 4 0 "[ . 1 . 2 . 3]" 1
826 1 72 GLU H 1 72 GLU HG3 3.980 . 3.980 2.789 1.927 4.074 0.094 4 0 "[ . 1 . 2 . 3]" 1
827 1 72 GLU H 1 72 GLU HG2 3.980 . 3.980 2.859 2.004 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 72 GLU H 1 73 LYS H 3.360 . 3.360 2.632 2.474 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 72 GLU H 1 74 LEU H 4.240 . 4.240 3.985 3.853 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 73 LYS HA 1 73 LYS QD 3.420 . 3.420 2.503 2.002 3.431 0.011 10 0 "[ . 1 . 2 . 3]" 1
831 1 73 LYS HA 1 73 LYS QG 3.480 . 3.480 2.743 2.356 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 73 LYS HA 1 75 GLY H 4.140 . 4.140 4.088 3.718 4.229 0.089 25 0 "[ . 1 . 2 . 3]" 1
833 1 73 LYS QB 1 74 LEU H 3.460 . 3.460 2.902 2.559 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 73 LYS HB3 1 74 LEU H 4.310 . 4.310 3.798 3.062 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 73 LYS HB2 1 74 LEU H 4.310 . 4.310 3.028 2.601 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 73 LYS H 1 73 LYS QB 3.040 . 3.040 2.426 2.147 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 73 LYS H 1 73 LYS HB3 3.620 . 3.620 3.613 3.374 3.669 0.049 8 0 "[ . 1 . 2 . 3]" 1
838 1 73 LYS H 1 73 LYS HB2 3.620 . 3.620 2.467 2.172 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 73 LYS H 1 73 LYS QD 3.300 . 3.300 2.804 2.089 3.344 0.044 2 0 "[ . 1 . 2 . 3]" 1
840 1 73 LYS H 1 73 LYS QG 4.170 . 4.170 3.062 2.108 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 73 LYS H 1 74 LEU MD1 5.500 . 5.500 5.275 5.090 5.554 0.054 16 0 "[ . 1 . 2 . 3]" 1
842 1 73 LYS H 1 74 LEU MD2 5.500 . 5.500 4.916 3.424 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 74 LEU HA 1 74 LEU QD 3.280 . 3.280 2.103 1.980 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 74 LEU HA 1 74 LEU MD1 4.020 . 4.020 3.808 2.082 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 74 LEU HA 1 74 LEU MD2 4.020 . 4.020 2.128 2.047 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 74 LEU QB 1 75 GLY H 3.630 . 3.630 2.595 2.328 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 74 LEU HB3 1 75 GLY H 4.310 . 4.310 3.686 3.285 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 74 LEU HB2 1 75 GLY H 4.310 . 4.310 2.654 2.365 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 74 LEU QD 1 75 GLY H 4.810 . 4.810 4.068 3.885 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 74 LEU QD 1 81 LYS QB 5.280 . 5.280 4.371 3.308 5.298 0.018 27 0 "[ . 1 . 2 . 3]" 1
851 1 74 LEU QD 1 108 PHE QB 4.660 . 4.660 3.091 2.004 4.726 0.066 27 0 "[ . 1 . 2 . 3]" 1
852 1 74 LEU H 1 74 LEU QB 2.810 . 2.810 2.495 2.215 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 74 LEU H 1 74 LEU QD 3.380 . 3.380 3.061 2.364 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 74 LEU H 1 74 LEU MD1 3.900 . 3.900 3.773 3.666 3.922 0.022 16 0 "[ . 1 . 2 . 3]" 1
855 1 74 LEU H 1 74 LEU MD2 3.900 . 3.900 3.250 2.383 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 74 LEU H 1 75 GLY H 3.630 . 3.630 2.484 2.266 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 75 GLY QA 1 76 ALA MB 5.340 . 5.340 3.855 3.652 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 75 GLY QA 1 77 ASP H 5.290 . 5.290 3.125 2.700 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 75 GLY H 1 76 ALA H 4.500 . 4.500 3.890 2.147 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 76 ALA MB 1 77 ASP H 4.190 . 4.190 3.001 2.418 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 76 ALA MB 1 78 PRO QD 5.340 . 5.340 4.391 3.910 5.369 0.029 15 0 "[ . 1 . 2 . 3]" 1
862 1 76 ALA H 1 76 ALA MB 3.360 . 3.360 2.272 2.155 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 76 ALA H 1 77 ASP H 4.480 . 4.480 2.398 2.137 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 77 ASP HA 1 78 PRO QD 3.260 . 3.260 2.074 1.836 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 77 ASP HA 1 79 GLU H 4.680 . 4.680 3.663 3.027 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 77 ASP H 1 78 PRO QD 5.340 . 5.340 3.600 2.610 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 78 PRO QB 1 79 GLU H 3.740 . 3.740 2.845 2.349 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 78 PRO QD 1 79 GLU H 3.860 . 3.860 2.382 2.006 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 78 PRO HD3 1 79 GLU H 4.690 . 4.690 3.738 3.383 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 78 PRO HD2 1 79 GLU H 4.690 . 4.690 2.414 2.021 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 79 GLU QB 1 80 LEU H 4.220 . 4.220 2.902 2.133 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 79 GLU HB3 1 80 LEU H 4.970 . 4.970 3.485 2.160 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 79 GLU HB2 1 80 LEU H 4.970 . 4.970 3.438 2.159 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 79 GLU H 1 79 GLU QB 3.470 . 3.470 2.438 2.072 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 79 GLU H 1 79 GLU HB3 4.100 . 4.100 3.072 2.485 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 79 GLU H 1 79 GLU HB2 4.100 . 4.100 2.727 2.132 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 79 GLU H 1 79 GLU QG 4.100 . 4.100 2.914 1.822 4.105 0.005 29 0 "[ . 1 . 2 . 3]" 1
878 1 79 GLU H 1 79 GLU HG3 4.810 . 4.810 3.383 1.842 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 79 GLU H 1 79 GLU HG2 4.810 . 4.810 3.623 1.833 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 79 GLU H 1 80 LEU H 3.510 . 3.510 2.770 2.440 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 80 LEU HA 1 80 LEU QD 3.320 . 3.320 2.280 1.966 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 80 LEU HA 1 80 LEU MD1 4.690 . 4.690 2.906 2.008 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 80 LEU HA 1 80 LEU MD2 4.690 . 4.690 3.106 2.028 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 80 LEU QB 1 81 LYS H 4.120 . 4.120 2.591 2.266 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 80 LEU QD 1 81 LYS H 4.300 . 4.300 3.747 3.136 4.313 0.013 29 0 "[ . 1 . 2 . 3]" 1
886 1 80 LEU MD1 1 81 LYS H 5.110 . 5.110 4.393 3.320 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 80 LEU MD2 1 81 LYS H 5.110 . 5.110 4.212 3.223 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 80 LEU H 1 80 LEU HB3 3.550 . 3.550 2.829 2.420 3.598 0.048 6 0 "[ . 1 . 2 . 3]" 1
889 1 80 LEU H 1 80 LEU HB2 3.550 . 3.550 2.459 2.269 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 80 LEU H 1 80 LEU MD1 4.300 . 4.300 3.988 2.023 4.319 0.019 10 0 "[ . 1 . 2 . 3]" 1
891 1 80 LEU H 1 80 LEU MD2 4.300 . 4.300 3.943 2.173 4.317 0.017 12 0 "[ . 1 . 2 . 3]" 1
892 1 80 LEU H 1 81 LYS H 3.740 . 3.740 2.622 2.307 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 80 LEU H 1 82 SER H 4.950 . 4.950 3.955 3.627 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 81 LYS HA 1 81 LYS QD 4.130 . 4.130 3.114 1.962 4.310 0.180 17 0 "[ . 1 . 2 . 3]" 1
895 1 81 LYS HA 1 81 LYS QG 3.490 . 3.490 2.770 2.311 3.524 0.034 24 0 "[ . 1 . 2 . 3]" 1
896 1 81 LYS QB 1 82 SER H 4.290 . 4.290 2.905 2.159 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 81 LYS QE 1 81 LYS QG 3.320 . 3.320 2.329 2.100 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 81 LYS H 1 81 LYS QB 3.450 . 3.450 2.468 2.099 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 81 LYS H 1 81 LYS QD 4.380 . 4.380 3.571 1.770 4.465 0.085 19 0 "[ . 1 . 2 . 3]" 1
900 1 81 LYS H 1 81 LYS QG 3.740 . 3.740 2.677 1.907 3.876 0.136 13 0 "[ . 1 . 2 . 3]" 1
901 1 81 LYS H 1 82 SER H 3.560 . 3.560 2.479 2.165 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 82 SER HA 1 106 VAL QG 4.360 . 4.360 2.664 1.827 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 82 SER HA 1 108 PHE HZ 4.950 . 4.950 4.450 2.917 4.961 0.011 22 0 "[ . 1 . 2 . 3]" 1
904 1 82 SER QB 1 108 PHE QE 4.460 . 4.460 3.781 3.211 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 82 SER HB3 1 108 PHE QE 5.330 . 5.330 4.190 3.280 5.340 0.010 29 0 "[ . 1 . 2 . 3]" 1
906 1 82 SER HB2 1 108 PHE QE 5.330 . 5.330 4.537 3.364 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 82 SER H 1 83 THR HB 4.940 . 4.940 4.904 4.606 4.993 0.053 15 0 "[ . 1 . 2 . 3]" 1
908 1 82 SER H 1 83 THR H 3.880 . 3.880 2.703 2.496 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 82 SER H 1 108 PHE QE 4.480 . 4.480 4.035 3.271 4.511 0.031 16 0 "[ . 1 . 2 . 3]" 1
910 1 83 THR HA 1 83 THR MG 2.830 . 2.830 2.350 2.294 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 83 THR MG 1 84 GLY H 4.210 . 4.210 3.611 3.268 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 83 THR H 1 83 THR MG 3.690 . 3.690 3.705 3.658 3.734 0.044 17 0 "[ . 1 . 2 . 3]" 1
913 1 83 THR H 1 84 GLY H 3.880 . 3.880 2.681 2.487 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 84 GLY QA 1 85 PHE HA 5.340 . 5.340 3.972 3.896 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 84 GLY H 1 85 PHE H 4.060 . 4.060 2.721 2.485 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 85 PHE HA 1 85 PHE QD 3.250 . 3.250 2.769 1.891 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 85 PHE HA 1 85 PHE QE 4.520 . 4.520 4.503 4.204 4.575 0.055 17 0 "[ . 1 . 2 . 3]" 1
918 1 85 PHE HA 1 86 ALA HA 5.500 . 5.500 4.780 4.685 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 85 PHE QB 1 86 ALA H 3.920 . 3.920 2.810 2.383 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 85 PHE HB3 1 86 ALA H 4.480 . 4.480 3.231 2.416 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 85 PHE HB2 1 86 ALA H 4.480 . 4.480 3.423 2.675 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 85 PHE QD 1 106 VAL QG 4.710 . 4.710 2.761 1.858 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 85 PHE H 1 86 ALA H 3.950 . 3.950 2.622 2.449 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 86 ALA HA 1 89 LEU QD 4.750 . 4.750 3.906 3.197 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 86 ALA HA 1 89 LEU H 4.340 . 4.340 3.534 3.065 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 86 ALA HA 1 104 VAL QG 3.760 . 3.760 2.828 2.188 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 86 ALA HA 1 106 VAL QG 3.610 . 3.610 2.202 1.889 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 86 ALA MB 1 87 ARG H 3.330 . 3.330 2.510 2.379 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 86 ALA MB 1 105 VAL HA 3.590 . 3.590 2.681 2.050 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 86 ALA MB 1 105 VAL H 4.360 . 4.360 4.291 3.776 4.432 0.072 10 0 "[ . 1 . 2 . 3]" 1
931 1 86 ALA MB 1 106 VAL QG 3.260 . 3.260 2.174 1.806 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 86 ALA MB 1 106 VAL MG1 4.170 . 4.170 3.027 1.808 4.171 0.001 24 0 "[ . 1 . 2 . 3]" 1
933 1 86 ALA MB 1 106 VAL MG2 4.170 . 4.170 2.627 1.920 4.303 0.133 20 0 "[ . 1 . 2 . 3]" 1
934 1 86 ALA MB 1 106 VAL H 3.570 . 3.570 2.352 1.858 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 86 ALA H 1 86 ALA MB 3.030 . 3.030 2.262 2.214 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 86 ALA H 1 87 ARG H 3.640 . 3.640 2.659 2.480 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 86 ALA H 1 106 VAL QG 3.990 . 3.990 2.869 2.486 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 87 ARG HA 1 87 ARG QD 4.660 . 4.660 3.033 1.889 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 87 ARG HA 1 87 ARG HD3 5.500 . 5.500 3.584 1.912 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 87 ARG HA 1 87 ARG HD2 5.500 . 5.500 3.576 1.923 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 87 ARG HA 1 90 ALA H 3.860 . 3.860 3.464 3.046 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 87 ARG QB 1 87 ARG QD 3.370 . 3.370 2.273 2.063 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 87 ARG QB 1 88 ASP H 3.120 . 3.120 2.588 2.215 3.289 0.169 23 0 "[ . 1 . 2 . 3]" 1
944 1 87 ARG HD3 1 88 ASP H 5.500 . 5.500 4.796 3.240 5.566 0.066 11 0 "[ . 1 . 2 . 3]" 1
945 1 87 ARG HD2 1 88 ASP H 5.500 . 5.500 4.914 3.610 5.598 0.098 16 0 "[ . 1 . 2 . 3]" 1
946 1 87 ARG QG 1 88 ASP H 4.680 . 4.680 3.813 1.953 4.723 0.043 13 0 "[ . 1 . 2 . 3]" 1
947 1 87 ARG HG3 1 88 ASP H 5.500 . 5.500 4.408 2.131 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 87 ARG HG2 1 88 ASP H 5.500 . 5.500 4.398 2.268 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 87 ARG H 1 87 ARG QB 2.880 . 2.880 2.243 2.083 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 87 ARG H 1 87 ARG HB3 3.450 . 3.450 2.707 2.264 3.545 0.095 18 0 "[ . 1 . 2 . 3]" 1
951 1 87 ARG H 1 87 ARG HB2 3.450 . 3.450 2.512 2.197 3.543 0.093 23 0 "[ . 1 . 2 . 3]" 1
952 1 87 ARG H 1 87 ARG HD3 5.500 . 5.500 4.517 2.786 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 87 ARG H 1 87 ARG HD2 5.500 . 5.500 4.652 2.030 5.639 0.139 2 0 "[ . 1 . 2 . 3]" 1
954 1 87 ARG H 1 87 ARG QG 4.450 . 4.450 3.670 2.097 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 87 ARG H 1 87 ARG HG3 5.190 . 5.190 4.210 2.296 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 87 ARG H 1 87 ARG HG2 5.190 . 5.190 4.164 2.113 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 87 ARG H 1 88 ASP H 3.440 . 3.440 2.593 2.344 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 87 ARG H 1 106 VAL QG 5.440 . 5.440 4.497 4.267 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 88 ASP QB 1 89 LEU H 3.750 . 3.750 2.584 2.178 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 88 ASP QB 1 90 ALA H 5.210 . 5.210 4.677 4.427 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 88 ASP HB3 1 89 LEU H 4.470 . 4.470 3.017 2.197 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 88 ASP HB2 1 89 LEU H 4.470 . 4.470 3.300 2.321 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 88 ASP H 1 88 ASP QB 3.250 . 3.250 2.330 2.196 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 88 ASP H 1 89 LEU H 3.670 . 3.670 2.669 2.547 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 88 ASP H 1 90 ALA H 4.690 . 4.690 4.014 3.758 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 89 LEU HA 1 89 LEU QD 3.420 . 3.420 2.061 1.928 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 89 LEU HA 1 89 LEU MD1 4.300 . 4.300 2.695 2.008 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 89 LEU HA 1 89 LEU MD2 4.300 . 4.300 2.805 1.952 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 89 LEU HA 1 91 ASP H 4.330 . 4.330 4.172 4.039 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 89 LEU HA 1 92 TYR QB 3.950 . 3.950 2.236 1.899 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 89 LEU HA 1 92 TYR QD 3.620 . 3.620 2.369 1.896 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 89 LEU HA 1 92 TYR QE 4.950 . 4.950 4.454 4.033 5.089 0.139 6 0 "[ . 1 . 2 . 3]" 1
973 1 89 LEU HA 1 92 TYR H 3.820 . 3.820 3.155 2.992 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 89 LEU HA 1 93 ILE H 4.240 . 4.240 4.047 3.678 4.265 0.025 1 0 "[ . 1 . 2 . 3]" 1
975 1 89 LEU QB 1 90 ALA H 4.110 . 4.110 2.697 2.481 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 89 LEU QD 1 92 TYR QD 3.720 . 3.720 3.137 2.241 3.727 0.007 17 0 "[ . 1 . 2 . 3]" 1
977 1 89 LEU QD 1 92 TYR QE 5.440 . 5.440 4.377 3.605 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 89 LEU QD 1 93 ILE H 4.320 . 4.320 3.589 3.055 4.391 0.071 14 0 "[ . 1 . 2 . 3]" 1
979 1 89 LEU QD 1 104 VAL QG 3.390 . 3.390 2.412 1.862 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 89 LEU QD 1 106 VAL QG 4.980 . 4.980 2.936 2.013 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 89 LEU MD1 1 90 ALA H 4.750 . 4.750 4.138 3.375 4.769 0.019 27 0 "[ . 1 . 2 . 3]" 1
982 1 89 LEU MD2 1 90 ALA H 4.750 . 4.750 4.595 4.283 4.770 0.020 18 0 "[ . 1 . 2 . 3]" 1
983 1 89 LEU HG 1 104 VAL QG 4.210 . 4.210 3.416 2.703 4.222 0.012 14 0 "[ . 1 . 2 . 3]" 1
984 1 89 LEU H 1 89 LEU HB3 3.560 . 3.560 2.705 2.469 3.585 0.025 6 0 "[ . 1 . 2 . 3]" 1
985 1 89 LEU H 1 89 LEU HB2 3.560 . 3.560 2.439 2.276 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 89 LEU H 1 89 LEU MD1 4.350 . 4.350 4.151 3.671 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 89 LEU H 1 89 LEU MD2 4.350 . 4.350 4.020 2.554 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 89 LEU H 1 89 LEU HG 4.600 . 4.600 4.342 2.549 4.615 0.015 3 0 "[ . 1 . 2 . 3]" 1
989 1 89 LEU H 1 90 ALA H 3.490 . 3.490 2.605 2.450 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 89 LEU H 1 104 VAL QG 4.710 . 4.710 4.259 3.646 4.729 0.019 15 0 "[ . 1 . 2 . 3]" 1
991 1 90 ALA HA 1 93 ILE H 4.140 . 4.140 3.489 3.317 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 90 ALA MB 1 91 ASP HA 4.590 . 4.590 3.849 3.774 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 90 ALA MB 1 91 ASP H 3.090 . 3.090 2.528 2.378 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 90 ALA MB 1 104 VAL HB 3.630 . 3.630 2.678 1.952 3.730 0.100 15 0 "[ . 1 . 2 . 3]" 1
995 1 90 ALA MB 1 104 VAL QG 3.240 . 3.240 2.232 1.792 2.923 0.008 15 0 "[ . 1 . 2 . 3]" 1
996 1 90 ALA MB 1 104 VAL MG1 3.690 . 3.690 2.746 1.798 3.692 0.002 27 0 "[ . 1 . 2 . 3]" 1
997 1 90 ALA MB 1 104 VAL MG2 3.690 . 3.690 2.716 2.195 3.727 0.037 28 0 "[ . 1 . 2 . 3]" 1
998 1 90 ALA MB 1 104 VAL H 4.580 . 4.580 3.943 2.646 4.610 0.030 2 0 "[ . 1 . 2 . 3]" 1
999 1 90 ALA H 1 90 ALA MB 2.980 . 2.980 2.249 2.224 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 90 ALA H 1 91 ASP QB 5.340 . 5.340 4.336 4.176 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 90 ALA H 1 91 ASP H 3.380 . 3.380 2.589 2.486 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 90 ALA H 1 104 VAL QG 3.740 . 3.740 3.046 2.725 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 91 ASP HA 1 94 GLN HB2 3.570 . 3.570 2.766 2.462 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 91 ASP HA 1 94 GLN H 3.870 . 3.870 3.576 3.195 3.881 0.011 25 0 "[ . 1 . 2 . 3]" 1
1005 1 91 ASP HA 1 95 GLU H 4.250 . 4.250 4.173 3.941 4.324 0.074 25 0 "[ . 1 . 2 . 3]" 1
1006 1 91 ASP QB 1 92 TYR QD 4.490 . 4.490 4.061 3.063 4.512 0.022 18 0 "[ . 1 . 2 . 3]" 1
1007 1 91 ASP HB3 1 92 TYR H 4.060 . 4.060 2.509 2.252 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 91 ASP HB2 1 92 TYR H 4.060 . 4.060 3.776 3.487 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 91 ASP H 1 91 ASP HB3 3.280 . 3.280 2.550 2.364 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 91 ASP H 1 91 ASP HB2 3.280 . 3.280 2.532 2.244 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 91 ASP H 1 92 TYR QD 5.190 . 5.190 4.766 4.132 5.311 0.121 6 0 "[ . 1 . 2 . 3]" 1
1012 1 91 ASP H 1 92 TYR H 3.440 . 3.440 2.586 2.029 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 91 ASP H 1 93 ILE QG 4.310 . 4.310 4.347 4.280 4.400 0.090 11 0 "[ . 1 . 2 . 3]" 1
1014 1 91 ASP H 1 93 ILE H 4.820 . 4.820 4.236 3.931 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 92 TYR HA 1 92 TYR QD 3.980 . 3.980 2.667 2.182 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 92 TYR HA 1 92 TYR QE 5.230 . 5.230 4.414 4.170 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 92 TYR HA 1 95 GLU HB2 2.770 . 2.770 2.625 2.339 2.799 0.029 17 0 "[ . 1 . 2 . 3]" 1
1018 1 92 TYR HA 1 95 GLU H 3.910 . 3.910 3.442 3.285 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 92 TYR HA 1 96 GLN QE 4.470 . 4.470 3.429 2.889 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 92 TYR HA 1 96 GLN HE21 5.110 . 5.110 3.598 2.984 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 92 TYR HA 1 96 GLN HE22 5.110 . 5.110 4.832 2.930 5.158 0.048 4 0 "[ . 1 . 2 . 3]" 1
1022 1 92 TYR HA 1 96 GLN H 4.650 . 4.650 4.316 3.773 4.660 0.010 25 0 "[ . 1 . 2 . 3]" 1
1023 1 92 TYR QB 1 93 ILE H 3.680 . 3.680 2.528 2.393 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 92 TYR HB3 1 93 ILE H 4.300 . 4.300 3.042 2.450 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 92 TYR HB2 1 93 ILE H 4.300 . 4.300 2.747 2.518 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 92 TYR QD 1 93 ILE HA 5.380 . 5.380 5.263 4.433 5.448 0.068 21 0 "[ . 1 . 2 . 3]" 1
1027 1 92 TYR QD 1 93 ILE H 4.590 . 4.590 4.456 4.119 4.593 0.003 3 0 "[ . 1 . 2 . 3]" 1
1028 1 92 TYR QD 1 95 GLU HB3 4.880 . 4.880 4.843 3.894 4.973 0.093 16 0 "[ . 1 . 2 . 3]" 1
1029 1 92 TYR QD 1 95 GLU HB2 5.060 . 5.060 4.151 3.543 5.118 0.058 7 0 "[ . 1 . 2 . 3]" 1
1030 1 92 TYR QD 1 96 GLN HE21 4.690 . 4.690 2.729 2.062 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 92 TYR QD 1 96 GLN HE22 4.690 . 4.690 3.647 1.785 4.717 0.027 6 0 "[ . 1 . 2 . 3]" 1
1032 1 92 TYR QD 1 96 GLN QG 4.210 . 4.210 3.793 2.928 4.229 0.019 18 0 "[ . 1 . 2 . 3]" 1
1033 1 92 TYR QD 1 96 GLN HG3 4.990 . 4.990 4.635 3.626 5.000 0.010 24 0 "[ . 1 . 2 . 3]" 1
1034 1 92 TYR QD 1 96 GLN HG2 4.990 . 4.990 4.033 3.092 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 92 TYR QE 1 96 GLN QE 4.310 . 4.310 3.974 2.806 4.365 0.055 22 0 "[ . 1 . 2 . 3]" 1
1036 1 92 TYR QE 1 96 GLN HE21 5.060 . 5.060 4.397 3.230 5.109 0.049 27 0 "[ . 1 . 2 . 3]" 1
1037 1 92 TYR QE 1 96 GLN HE22 5.060 . 5.060 4.613 2.872 5.106 0.046 2 0 "[ . 1 . 2 . 3]" 1
1038 1 92 TYR H 1 92 TYR QB 3.310 . 3.310 2.243 1.958 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 92 TYR H 1 92 TYR QD 3.910 . 3.910 2.982 2.363 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 92 TYR H 1 93 ILE H 3.700 . 3.700 2.916 2.704 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 93 ILE HA 1 93 ILE HG13 3.980 . 3.980 3.729 3.616 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 93 ILE HA 1 93 ILE HG12 3.980 . 3.980 3.771 3.724 4.142 0.162 27 0 "[ . 1 . 2 . 3]" 1
1043 1 93 ILE HA 1 96 GLN QB 4.510 . 4.510 2.788 2.450 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 93 ILE HA 1 96 GLN HB3 5.230 . 5.230 4.408 4.026 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 93 ILE HA 1 96 GLN HB2 5.230 . 5.230 2.819 2.471 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 93 ILE HA 1 96 GLN H 4.320 . 4.320 3.213 2.942 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 93 ILE HA 1 98 TRP HE3 3.870 . 3.870 2.701 2.325 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 93 ILE HA 1 98 TRP HZ3 4.190 . 4.190 3.810 3.319 4.216 0.026 6 0 "[ . 1 . 2 . 3]" 1
1049 1 93 ILE HB 1 94 GLN H 4.020 . 4.020 3.905 3.804 4.028 0.008 13 0 "[ . 1 . 2 . 3]" 1
1050 1 93 ILE QG 1 94 GLN QG 4.340 . 4.340 2.679 2.369 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 93 ILE QG 1 94 GLN H 3.340 . 3.340 2.333 2.185 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 93 ILE QG 1 93 ILE MG 3.280 . 3.280 2.323 1.972 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 93 ILE H 1 93 ILE HB 3.720 . 3.720 3.708 3.688 3.726 0.006 9 0 "[ . 1 . 2 . 3]" 1
1054 1 93 ILE H 1 93 ILE QG 3.090 . 3.090 2.176 2.074 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 93 ILE H 1 93 ILE HG13 3.760 . 3.760 3.239 2.177 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 93 ILE H 1 93 ILE HG12 3.760 . 3.760 2.250 2.105 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 93 ILE H 1 94 GLN H 3.530 . 3.530 2.678 2.570 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 93 ILE H 1 95 GLU H 4.690 . 4.690 4.158 3.983 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 93 ILE H 1 96 GLN H 5.160 . 5.160 4.778 4.613 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 94 GLN HA 1 94 GLN QG 3.620 . 3.620 2.517 2.324 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 94 GLN HA 1 96 GLN H 5.020 . 5.020 4.200 3.857 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 94 GLN HA 1 97 GLY H 4.030 . 4.030 3.328 3.033 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 94 GLN HA 1 98 TRP H 4.050 . 4.050 3.466 2.988 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 94 GLN HB3 1 95 GLU HA 4.250 . 4.250 4.295 4.099 4.341 0.091 10 0 "[ . 1 . 2 . 3]" 1
1065 1 94 GLN HB3 1 96 GLN H 5.500 . 5.500 5.397 5.216 5.614 0.114 18 0 "[ . 1 . 2 . 3]" 1
1066 1 94 GLN HB2 1 95 GLU H 3.300 . 3.300 2.634 2.391 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 94 GLN HB2 1 96 GLN H 5.500 . 5.500 4.968 4.796 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 94 GLN H 1 94 GLN HB2 2.890 . 2.890 2.400 2.297 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 94 GLN H 1 94 GLN QG 3.550 . 3.550 2.405 2.210 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 94 GLN H 1 94 GLN HG3 4.060 . 4.060 2.762 2.233 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 94 GLN H 1 94 GLN HG2 4.060 . 4.060 3.362 2.329 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 94 GLN H 1 95 GLU H 3.230 . 3.230 2.634 2.501 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 94 GLN H 1 96 GLN H 4.390 . 4.390 4.021 3.847 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 95 GLU HA 1 96 GLN QE 5.340 . 5.340 5.127 4.255 5.372 0.032 29 0 "[ . 1 . 2 . 3]" 1
1075 1 95 GLU HB3 1 96 GLN HE21 4.530 . 4.530 3.450 2.358 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 95 GLU HB3 1 96 GLN HE22 4.530 . 4.530 3.694 1.995 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 95 GLU HB3 1 96 GLN H 3.850 . 3.850 3.390 2.428 3.852 0.002 13 0 "[ . 1 . 2 . 3]" 1
1078 1 95 GLU HB2 1 96 GLN QE 4.420 . 4.420 3.124 2.292 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 95 GLU HB2 1 96 GLN HE21 5.150 . 5.150 3.283 2.315 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 95 GLU HB2 1 96 GLN HE22 5.150 . 5.150 4.113 3.115 5.160 0.010 5 0 "[ . 1 . 2 . 3]" 1
1081 1 95 GLU HB2 1 96 GLN H 3.910 . 3.910 2.861 2.422 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 95 GLU QG 1 96 GLN QE 4.500 . 4.500 4.215 2.987 4.549 0.049 25 0 "[ . 1 . 2 . 3]" 1
1083 1 95 GLU QG 1 96 GLN H 4.560 . 4.560 4.189 3.777 4.567 0.007 11 0 "[ . 1 . 2 . 3]" 1
1084 1 95 GLU HG3 1 96 GLN H 5.340 . 5.340 4.794 4.127 5.346 0.006 11 0 "[ . 1 . 2 . 3]" 1
1085 1 95 GLU HG2 1 96 GLN H 5.340 . 5.340 4.717 3.961 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 95 GLU H 1 95 GLU HB3 3.460 . 3.460 3.401 2.423 3.543 0.083 4 0 "[ . 1 . 2 . 3]" 1
1087 1 95 GLU H 1 95 GLU HB2 3.150 . 3.150 2.244 1.931 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 95 GLU H 1 95 GLU QG 3.390 . 3.390 2.603 2.119 3.633 0.243 7 0 "[ . 1 . 2 . 3]" 1
1089 1 95 GLU H 1 96 GLN H 3.370 . 3.370 2.667 2.553 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 95 GLU H 1 97 GLY H 4.380 . 4.380 3.908 3.736 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 96 GLN HA 1 96 GLN HE21 4.870 . 4.870 4.104 2.881 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 96 GLN HA 1 96 GLN HE22 4.870 . 4.870 4.147 3.691 4.900 0.030 18 0 "[ . 1 . 2 . 3]" 1
1093 1 96 GLN HA 1 98 TRP HE1 5.490 . 5.490 5.518 5.445 5.589 0.099 16 0 "[ . 1 . 2 . 3]" 1
1094 1 96 GLN QB 1 97 GLY H 4.460 . 4.460 3.146 3.048 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 96 GLN QB 1 98 TRP HE3 4.060 . 4.060 3.280 3.141 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 96 GLN QB 1 98 TRP H 3.760 . 3.760 3.075 2.725 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 96 GLN QB 1 98 TRP HZ2 4.970 . 4.970 3.286 3.179 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 96 GLN HB3 1 98 TRP HE1 4.820 . 4.820 3.686 3.302 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 96 GLN HB3 1 98 TRP H 4.390 . 4.390 4.396 3.997 4.474 0.084 16 0 "[ . 1 . 2 . 3]" 1
1100 1 96 GLN HB2 1 98 TRP HE1 4.820 . 4.820 4.503 4.286 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 96 GLN HB2 1 98 TRP H 4.390 . 4.390 3.144 2.774 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 96 GLN QG 1 98 TRP HH2 4.710 . 4.710 3.147 2.882 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 96 GLN QG 1 98 TRP HZ2 4.640 . 4.640 3.958 3.086 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 96 GLN QG 1 98 TRP HZ3 3.970 . 3.970 3.069 2.739 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 96 GLN H 1 96 GLN QB 3.290 . 3.290 2.502 2.240 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 96 GLN H 1 96 GLN HB3 3.810 . 3.810 3.617 3.510 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 96 GLN H 1 96 GLN HB2 3.810 . 3.810 2.551 2.267 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 96 GLN H 1 96 GLN HE21 4.660 . 4.660 3.651 2.761 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 96 GLN H 1 96 GLN HE22 4.660 . 4.660 4.597 3.318 4.719 0.059 26 0 "[ . 1 . 2 . 3]" 1
1110 1 96 GLN H 1 96 GLN QG 3.240 . 3.240 2.260 2.040 3.342 0.102 27 0 "[ . 1 . 2 . 3]" 1
1111 1 96 GLN H 1 96 GLN HG3 3.760 . 3.760 3.686 3.489 3.775 0.015 22 0 "[ . 1 . 2 . 3]" 1
1112 1 96 GLN H 1 96 GLN HG2 3.760 . 3.760 2.317 2.052 3.991 0.231 18 0 "[ . 1 . 2 . 3]" 1
1113 1 96 GLN H 1 97 GLY H 3.430 . 3.430 2.441 2.240 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 97 GLY H 1 98 TRP H 3.210 . 3.210 2.416 2.257 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 98 TRP HA 1 98 TRP HD1 3.360 . 3.360 2.377 2.241 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 98 TRP HA 1 98 TRP HE1 5.080 . 5.080 4.862 4.720 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 98 TRP HA 1 99 GLN HB3 4.430 . 4.430 4.404 4.235 4.483 0.053 15 0 "[ . 1 . 2 . 3]" 1
1118 1 98 TRP HA 1 99 GLN H 3.140 . 3.140 2.429 2.168 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 98 TRP QB 1 98 TRP HE3 3.660 . 3.660 2.443 2.405 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 98 TRP QB 1 99 GLN H 3.370 . 3.370 2.348 2.082 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 98 TRP HB3 1 99 GLN H 3.990 . 3.990 2.388 2.102 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 98 TRP HB2 1 99 GLN H 3.990 . 3.990 3.486 3.193 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 98 TRP HD1 1 99 GLN H 4.790 . 4.790 4.377 4.130 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 98 TRP H 1 98 TRP QB 3.200 . 3.200 2.516 2.478 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 98 TRP H 1 98 TRP HB3 3.680 . 3.680 3.688 3.632 3.727 0.047 6 0 "[ . 1 . 2 . 3]" 1
1126 1 98 TRP H 1 98 TRP HB2 3.680 . 3.680 2.561 2.518 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 98 TRP H 1 98 TRP HD1 3.980 . 3.980 3.854 3.679 4.001 0.021 28 0 "[ . 1 . 2 . 3]" 1
1128 1 98 TRP H 1 98 TRP HE1 5.500 . 5.500 5.379 5.107 5.523 0.023 4 0 "[ . 1 . 2 . 3]" 1
1129 1 98 TRP H 1 99 GLN H 4.640 . 4.640 4.488 4.396 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 99 GLN HA 1 99 GLN QG 3.610 . 3.610 3.358 3.329 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 99 GLN HA 1 100 THR H 2.660 . 2.660 2.515 2.341 2.664 0.004 15 0 "[ . 1 . 2 . 3]" 1
1132 1 99 GLN HB3 1 100 THR H 3.910 . 3.910 3.695 3.554 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 99 GLN HB2 1 100 THR H 3.210 . 3.210 2.278 2.045 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 99 GLN QG 1 100 THR HA 4.660 . 4.660 3.486 3.209 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 99 GLN QG 1 100 THR H 3.880 . 3.880 3.392 3.133 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 99 GLN HG3 1 100 THR H 4.680 . 4.680 3.496 3.206 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 99 GLN HG2 1 100 THR H 4.680 . 4.680 4.580 4.401 4.719 0.039 28 0 "[ . 1 . 2 . 3]" 1
1138 1 99 GLN H 1 99 GLN HB3 3.460 . 3.460 3.263 3.030 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 99 GLN H 1 99 GLN HB2 4.030 . 4.030 3.845 3.737 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 99 GLN H 1 99 GLN QE 5.110 . 5.110 4.517 4.186 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 99 GLN H 1 99 GLN QG 3.450 . 3.450 2.379 2.152 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 99 GLN H 1 99 GLN HG3 4.060 . 4.060 3.077 2.831 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 99 GLN H 1 99 GLN HG2 4.060 . 4.060 2.482 2.199 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 99 GLN H 1 100 THR H 4.650 . 4.650 4.402 4.328 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 100 THR HA 1 100 THR MG 3.370 . 3.370 3.237 3.224 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 100 THR HA 1 101 TYR H 3.310 . 3.310 2.546 2.308 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 100 THR HA 1 125 VAL QG 4.900 . 4.900 3.960 3.212 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 100 THR HB 1 101 TYR H 4.340 . 4.340 3.806 3.683 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 100 THR MG 1 101 TYR H 3.760 . 3.760 3.043 2.781 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 100 THR MG 1 102 GLY H 4.500 . 4.500 3.929 3.731 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 100 THR H 1 100 THR MG 3.340 . 3.340 2.584 2.389 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 100 THR H 1 101 TYR H 4.670 . 4.670 4.278 4.180 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 101 TYR HA 1 101 TYR QD 3.250 . 3.250 2.592 2.236 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 101 TYR HA 1 101 TYR QE 4.700 . 4.700 4.550 4.358 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 101 TYR HA 1 102 GLY H 3.190 . 3.190 2.120 2.038 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 101 TYR QB 1 102 GLY H 3.830 . 3.830 3.291 3.113 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 101 TYR QB 1 125 VAL QG 4.010 . 4.010 3.732 2.898 4.034 0.024 27 0 "[ . 1 . 2 . 3]" 1
1158 1 101 TYR HB3 1 102 GLY H 4.420 . 4.420 3.425 3.208 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 101 TYR HB2 1 102 GLY H 4.420 . 4.420 4.265 4.185 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 101 TYR QD 1 102 GLY H 4.340 . 4.340 4.050 3.714 4.345 0.005 6 0 "[ . 1 . 2 . 3]" 1
1161 1 101 TYR QD 1 125 VAL QG 3.730 . 3.730 3.334 2.612 3.753 0.023 25 0 "[ . 1 . 2 . 3]" 1
1162 1 101 TYR H 1 101 TYR QB 3.390 . 3.390 2.555 2.452 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 101 TYR H 1 101 TYR HB3 3.880 . 3.880 3.743 3.658 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 101 TYR H 1 101 TYR HB2 3.880 . 3.880 2.601 2.490 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 101 TYR H 1 101 TYR QD 4.370 . 4.370 3.223 2.802 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 101 TYR H 1 102 GLY H 4.680 . 4.680 4.263 4.146 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 101 TYR H 1 125 VAL QG 4.170 . 4.170 3.440 2.570 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 101 TYR H 1 125 VAL MG1 5.300 . 5.300 3.651 2.596 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 101 TYR H 1 125 VAL MG2 5.300 . 5.300 4.951 2.595 5.344 0.044 22 0 "[ . 1 . 2 . 3]" 1
1170 1 102 GLY QA 1 103 ASP H 2.920 . 2.920 2.184 2.107 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 102 GLY H 1 103 ASP H 4.550 . 4.550 4.451 4.401 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 103 ASP HA 1 104 VAL QG 4.630 . 4.630 3.559 3.366 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 103 ASP HA 1 104 VAL H 2.780 . 2.780 2.293 2.123 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 103 ASP QB 1 104 VAL H 3.480 . 3.480 3.135 2.131 3.565 0.085 22 0 "[ . 1 . 2 . 3]" 1
1175 1 103 ASP H 1 103 ASP QB 3.100 . 3.100 2.560 2.348 3.108 0.008 30 0 "[ . 1 . 2 . 3]" 1
1176 1 103 ASP H 1 103 ASP HB3 3.930 . 3.930 2.971 2.460 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 103 ASP H 1 103 ASP HB2 3.930 . 3.930 3.006 2.403 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 103 ASP H 1 104 VAL H 4.560 . 4.560 4.383 4.256 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 104 VAL HA 1 104 VAL MG1 3.730 . 3.730 2.611 2.381 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 104 VAL HA 1 104 VAL MG2 3.730 . 3.730 2.400 2.338 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 104 VAL HA 1 105 VAL H 3.060 . 3.060 2.111 2.040 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 104 VAL QG 1 105 VAL H 3.400 . 3.400 2.759 2.399 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 104 VAL QG 1 106 VAL QG 4.420 . 4.420 2.685 2.158 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 104 VAL MG1 1 105 VAL H 4.460 . 4.460 3.110 2.589 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 104 VAL MG2 1 105 VAL H 4.460 . 4.460 3.734 2.429 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 104 VAL H 1 104 VAL HB 3.000 . 3.000 2.587 2.483 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 104 VAL H 1 104 VAL QG 2.940 . 2.940 2.180 2.037 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 104 VAL H 1 104 VAL MG1 3.860 . 3.860 3.405 2.045 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 104 VAL H 1 104 VAL MG2 3.860 . 3.860 2.591 2.057 3.862 0.002 8 0 "[ . 1 . 2 . 3]" 1
1190 1 104 VAL H 1 105 VAL H 4.670 . 4.670 4.426 4.202 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 105 VAL HA 1 106 VAL H 3.020 . 3.020 2.110 2.030 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 105 VAL HB 1 106 VAL H 4.180 . 4.180 3.662 2.730 4.210 0.030 25 0 "[ . 1 . 2 . 3]" 1
1193 1 105 VAL QG 1 106 VAL H 4.080 . 4.080 3.177 2.550 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 105 VAL MG1 1 106 VAL H 4.700 . 4.700 3.969 3.756 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 105 VAL MG2 1 106 VAL H 4.700 . 4.700 3.495 2.579 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 105 VAL H 1 105 VAL HB 3.850 . 3.850 3.567 3.126 3.858 0.008 23 0 "[ . 1 . 2 . 3]" 1
1197 1 105 VAL H 1 105 VAL QG 3.450 . 3.450 2.207 2.027 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 105 VAL H 1 106 VAL H 4.690 . 4.690 4.203 4.057 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 106 VAL HA 1 106 VAL MG1 3.580 . 3.580 2.592 2.389 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 106 VAL HA 1 106 VAL MG2 3.580 . 3.580 2.738 2.324 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 106 VAL HA 1 107 ARG H 3.110 . 3.110 2.170 2.075 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 106 VAL HB 1 107 ARG H 4.450 . 4.450 3.733 2.771 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 106 VAL QG 1 107 ARG HA 4.440 . 4.440 3.568 3.176 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 106 VAL QG 1 107 ARG QB 4.910 . 4.910 4.359 3.863 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 106 VAL QG 1 107 ARG H 3.510 . 3.510 2.959 2.336 3.559 0.049 22 0 "[ . 1 . 2 . 3]" 1
1206 1 106 VAL MG1 1 107 ARG H 4.200 . 4.200 3.469 2.468 4.211 0.011 8 0 "[ . 1 . 2 . 3]" 1
1207 1 106 VAL MG2 1 107 ARG H 4.200 . 4.200 3.629 2.359 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 106 VAL H 1 106 VAL HB 3.640 . 3.640 3.136 2.505 3.750 0.110 6 0 "[ . 1 . 2 . 3]" 1
1209 1 106 VAL H 1 106 VAL QG 3.660 . 3.660 2.366 1.979 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 106 VAL H 1 106 VAL MG1 4.210 . 4.210 3.044 2.104 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 106 VAL H 1 106 VAL MG2 4.210 . 4.210 2.733 2.037 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 106 VAL H 1 107 ARG H 4.890 . 4.890 4.280 4.096 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 107 ARG HA 1 107 ARG QD 4.590 . 4.590 3.968 2.172 4.600 0.010 11 0 "[ . 1 . 2 . 3]" 1
1214 1 107 ARG HA 1 107 ARG HD3 5.310 . 5.310 4.459 3.095 5.415 0.105 11 0 "[ . 1 . 2 . 3]" 1
1215 1 107 ARG HA 1 107 ARG HD2 5.310 . 5.310 4.533 2.218 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 107 ARG HA 1 108 PHE QD 4.910 . 4.910 3.499 3.020 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 107 ARG HA 1 108 PHE H 3.130 . 3.130 2.143 1.951 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 107 ARG QB 1 108 PHE QD 4.950 . 4.950 4.920 4.593 5.043 0.093 16 0 "[ . 1 . 2 . 3]" 1
1219 1 107 ARG QB 1 108 PHE H 3.500 . 3.500 3.112 2.530 3.588 0.088 23 0 "[ . 1 . 2 . 3]" 1
1220 1 107 ARG HB3 1 108 PHE H 4.340 . 4.340 3.564 2.578 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 107 ARG HB2 1 108 PHE H 4.340 . 4.340 3.729 2.630 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 107 ARG H 1 107 ARG QB 3.650 . 3.650 2.678 2.306 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 107 ARG H 1 107 ARG QG 4.540 . 4.540 3.225 2.416 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 107 ARG H 1 107 ARG HG3 5.280 . 5.280 3.681 2.521 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 107 ARG H 1 107 ARG HG2 5.280 . 5.280 3.852 2.557 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 107 ARG H 1 108 PHE H 4.520 . 4.520 4.319 4.178 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 108 PHE HA 1 108 PHE QD 3.710 . 3.710 3.014 2.135 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 108 PHE HA 1 108 PHE QE 5.100 . 5.100 4.698 4.485 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 108 PHE HA 1 109 GLU H 3.030 . 3.030 2.151 2.025 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 108 PHE QB 1 109 GLU H 3.560 . 3.560 3.153 2.701 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 108 PHE HB3 1 109 GLU H 4.380 . 4.380 3.265 2.758 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 108 PHE HB2 1 109 GLU H 4.380 . 4.380 4.182 3.856 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 108 PHE QD 1 109 GLU H 4.420 . 4.420 4.229 3.791 4.453 0.033 24 0 "[ . 1 . 2 . 3]" 1
1234 1 108 PHE H 1 108 PHE QB 3.400 . 3.400 2.470 2.339 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 108 PHE H 1 108 PHE HB3 3.950 . 3.950 3.676 3.588 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 108 PHE H 1 108 PHE HB2 3.950 . 3.950 2.510 2.370 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 108 PHE H 1 108 PHE QD 3.660 . 3.660 2.700 2.264 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 108 PHE H 1 108 PHE QE 5.210 . 5.210 4.811 4.448 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 108 PHE H 1 109 GLU H 4.690 . 4.690 4.305 4.056 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 109 GLU HA 1 110 GLN QB 4.520 . 4.520 4.231 3.858 4.522 0.002 6 0 "[ . 1 . 2 . 3]" 1
1241 1 109 GLU HA 1 110 GLN H 3.250 . 3.250 2.450 2.308 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 109 GLU QB 1 110 GLN H 3.410 . 3.410 2.231 1.999 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 109 GLU HB3 1 110 GLN H 3.920 . 3.920 3.555 2.310 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 109 GLU HB2 1 110 GLN H 3.920 . 3.920 2.295 2.011 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 109 GLU QG 1 110 GLN H 4.060 . 4.060 3.550 3.184 4.124 0.064 9 0 "[ . 1 . 2 . 3]" 1
1246 1 109 GLU HG3 1 110 GLN H 4.690 . 4.690 3.739 3.343 4.700 0.010 9 0 "[ . 1 . 2 . 3]" 1
1247 1 109 GLU HG2 1 110 GLN H 4.690 . 4.690 4.561 3.389 4.722 0.032 11 0 "[ . 1 . 2 . 3]" 1
1248 1 109 GLU H 1 109 GLU QB 3.580 . 3.580 3.150 2.386 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 109 GLU H 1 109 GLU HB3 4.080 . 4.080 3.390 3.104 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 109 GLU H 1 109 GLU HB2 4.080 . 4.080 3.814 2.421 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 109 GLU H 1 109 GLU QG 3.780 . 3.780 2.462 2.250 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 109 GLU H 1 109 GLU HG3 4.340 . 4.340 3.198 2.724 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 109 GLU H 1 109 GLU HG2 4.340 . 4.340 2.569 2.309 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 109 GLU H 1 110 GLN H 4.560 . 4.560 4.363 4.276 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 110 GLN HA 1 111 SER H 2.970 . 2.970 2.252 2.134 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 110 GLN QB 1 110 GLN QE 3.710 . 3.710 2.985 1.790 3.719 0.010 2 0 "[ . 1 . 2 . 3]" 1
1257 1 110 GLN QB 1 111 SER H 3.610 . 3.610 2.526 2.152 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 110 GLN QB 1 112 SER H 5.290 . 5.290 4.964 3.985 5.371 0.081 11 0 "[ . 1 . 2 . 3]" 1
1259 1 110 GLN QG 1 111 SER H 4.090 . 4.090 3.651 2.598 4.194 0.104 27 0 "[ . 1 . 2 . 3]" 1
1260 1 110 GLN HG3 1 111 SER H 4.680 . 4.680 4.143 3.073 4.756 0.076 15 0 "[ . 1 . 2 . 3]" 1
1261 1 110 GLN HG2 1 111 SER H 4.680 . 4.680 4.336 2.802 4.755 0.075 4 0 "[ . 1 . 2 . 3]" 1
1262 1 110 GLN H 1 110 GLN QB 3.320 . 3.320 2.837 2.267 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 110 GLN H 1 110 GLN HB3 3.800 . 3.800 3.119 2.457 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 110 GLN H 1 110 GLN HB2 3.800 . 3.800 3.529 2.433 3.823 0.023 28 0 "[ . 1 . 2 . 3]" 1
1265 1 110 GLN H 1 110 GLN QE 5.040 . 5.040 4.243 3.115 5.065 0.025 11 0 "[ . 1 . 2 . 3]" 1
1266 1 110 GLN H 1 110 GLN QG 3.980 . 3.980 2.478 1.915 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 110 GLN H 1 111 SER H 4.690 . 4.690 4.419 4.312 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 111 SER HA 1 112 SER H 2.920 . 2.920 2.168 2.051 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 111 SER HA 1 114 LEU QB 5.130 . 5.130 4.738 4.237 5.299 0.169 28 0 "[ . 1 . 2 . 3]" 1
1270 1 111 SER QB 1 112 SER H 3.920 . 3.920 3.376 2.758 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 111 SER QB 1 113 ASN H 4.280 . 4.280 3.025 2.319 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 111 SER QB 1 114 LEU QB 3.940 . 3.940 2.416 1.873 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 111 SER QB 1 114 LEU QD 3.980 . 3.980 2.924 1.947 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 111 SER QB 1 114 LEU H 3.740 . 3.740 2.734 1.983 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 111 SER HB3 1 112 SER H 4.620 . 4.620 3.782 2.981 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 111 SER HB3 1 113 ASN H 5.070 . 5.070 3.422 2.341 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 111 SER HB3 1 114 LEU H 4.530 . 4.530 3.132 2.142 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 111 SER HB2 1 112 SER H 4.620 . 4.620 4.009 2.819 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 111 SER HB2 1 113 ASN H 5.070 . 5.070 3.863 2.377 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 111 SER HB2 1 114 LEU H 4.530 . 4.530 3.514 1.991 4.537 0.007 20 0 "[ . 1 . 2 . 3]" 1
1281 1 111 SER H 1 111 SER HB3 3.710 . 3.710 3.243 2.545 3.811 0.101 23 0 "[ . 1 . 2 . 3]" 1
1282 1 111 SER H 1 111 SER HB2 3.710 . 3.710 3.100 2.539 3.765 0.055 29 0 "[ . 1 . 2 . 3]" 1
1283 1 111 SER H 1 114 LEU H 5.160 . 5.160 4.489 4.102 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 112 SER HA 1 114 LEU H 4.370 . 4.370 3.883 3.343 4.390 0.020 21 0 "[ . 1 . 2 . 3]" 1
1285 1 112 SER HB3 1 113 ASN H 4.360 . 4.360 3.850 2.938 4.370 0.010 16 0 "[ . 1 . 2 . 3]" 1
1286 1 112 SER HB2 1 113 ASN H 4.360 . 4.360 3.465 2.604 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 112 SER H 1 112 SER QB 3.230 . 3.230 2.443 2.221 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 112 SER H 1 112 SER HB3 3.720 . 3.720 3.154 2.470 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 112 SER H 1 112 SER HB2 3.720 . 3.720 2.681 2.454 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 112 SER H 1 113 ASN H 3.560 . 3.560 2.406 2.201 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 112 SER H 1 114 LEU H 4.550 . 4.550 4.019 3.754 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 113 ASN HB3 1 114 LEU H 4.000 . 4.000 3.359 2.400 4.073 0.073 25 0 "[ . 1 . 2 . 3]" 1
1293 1 113 ASN HB2 1 114 LEU H 4.000 . 4.000 3.607 2.847 4.085 0.085 24 0 "[ . 1 . 2 . 3]" 1
1294 1 113 ASN H 1 113 ASN QB 2.980 . 2.980 2.283 2.172 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 113 ASN H 1 113 ASN HB3 3.440 . 3.440 2.938 2.414 3.557 0.117 13 0 "[ . 1 . 2 . 3]" 1
1296 1 113 ASN H 1 113 ASN HB2 3.440 . 3.440 2.506 2.229 3.525 0.085 25 0 "[ . 1 . 2 . 3]" 1
1297 1 113 ASN H 1 114 LEU HA 5.190 . 5.190 5.038 4.818 5.195 0.005 3 0 "[ . 1 . 2 . 3]" 1
1298 1 113 ASN H 1 114 LEU H 3.030 . 3.030 2.410 2.232 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 114 LEU HA 1 115 HIS HB2 4.560 . 4.560 4.372 4.042 4.586 0.026 7 0 "[ . 1 . 2 . 3]" 1
1300 1 114 LEU HA 1 115 HIS H 2.820 . 2.820 2.251 2.063 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 114 LEU QB 1 114 LEU QD 2.850 . 2.850 1.948 1.859 2.080 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 114 LEU QB 1 115 HIS H 3.800 . 3.800 3.294 2.513 3.821 0.021 4 0 "[ . 1 . 2 . 3]" 1
1303 1 114 LEU QD 1 115 HIS HA 5.090 . 5.090 4.502 2.736 5.158 0.068 14 0 "[ . 1 . 2 . 3]" 1
1304 1 114 LEU QD 1 115 HIS H 3.280 . 3.280 2.760 1.809 3.360 0.080 6 0 "[ . 1 . 2 . 3]" 1
1305 1 114 LEU QD 1 118 GLN HA 5.440 . 5.440 4.096 3.797 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 114 LEU QD 1 119 PHE H 4.530 . 4.530 3.628 3.133 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 114 LEU MD1 1 118 GLN H 5.500 . 5.500 4.779 3.326 5.509 0.009 30 0 "[ . 1 . 2 . 3]" 1
1308 1 114 LEU MD2 1 118 GLN H 5.500 . 5.500 4.743 3.034 5.537 0.037 1 0 "[ . 1 . 2 . 3]" 1
1309 1 114 LEU H 1 114 LEU QB 2.780 . 2.780 2.335 2.145 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 114 LEU H 1 114 LEU QD 3.920 . 3.920 3.549 3.125 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 114 LEU H 1 114 LEU MD1 4.600 . 4.600 4.043 3.746 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 114 LEU H 1 114 LEU MD2 4.600 . 4.600 3.957 3.296 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 114 LEU H 1 115 HIS H 4.740 . 4.740 4.500 4.342 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 115 HIS HA 1 116 THR H 3.030 . 3.030 2.386 2.196 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 115 HIS HB3 1 116 THR H 3.560 . 3.560 2.951 2.149 3.669 0.109 23 0 "[ . 1 . 2 . 3]" 1
1316 1 115 HIS HB2 1 116 THR H 4.060 . 4.060 3.760 3.365 4.095 0.035 23 0 "[ . 1 . 2 . 3]" 1
1317 1 115 HIS H 1 115 HIS HB3 3.620 . 3.620 3.154 2.447 3.728 0.108 28 0 "[ . 1 . 2 . 3]" 1
1318 1 115 HIS H 1 115 HIS HB2 3.630 . 3.630 2.650 2.388 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 115 HIS H 1 116 THR H 4.690 . 4.690 4.470 4.301 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 115 HIS H 1 118 GLN QB 3.450 . 3.450 2.739 1.868 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 115 HIS H 1 118 GLN HB3 4.040 . 4.040 3.534 1.900 4.140 0.100 8 0 "[ . 1 . 2 . 3]" 1
1322 1 115 HIS H 1 118 GLN HB2 4.040 . 4.040 3.228 2.121 4.081 0.041 5 0 "[ . 1 . 2 . 3]" 1
1323 1 115 HIS H 1 118 GLN QE 4.370 . 4.370 3.360 1.903 4.372 0.002 5 0 "[ . 1 . 2 . 3]" 1
1324 1 115 HIS H 1 118 GLN HE21 4.960 . 4.960 3.791 1.989 4.967 0.007 5 0 "[ . 1 . 2 . 3]" 1
1325 1 115 HIS H 1 118 GLN HE22 4.960 . 4.960 3.958 2.423 5.154 0.194 6 0 "[ . 1 . 2 . 3]" 1
1326 1 115 HIS H 1 118 GLN HG3 5.500 . 5.500 4.488 2.227 5.560 0.060 21 0 "[ . 1 . 2 . 3]" 1
1327 1 115 HIS H 1 118 GLN HG2 5.500 . 5.500 4.457 1.891 5.524 0.024 12 0 "[ . 1 . 2 . 3]" 1
1328 1 115 HIS H 1 118 GLN H 5.310 . 5.310 4.475 3.463 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 116 THR HA 1 116 THR MG 3.640 . 3.640 2.401 2.242 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 116 THR HA 1 117 GLY H 3.180 . 3.180 2.135 1.994 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 116 THR HA 1 118 GLN H 4.140 . 4.140 3.358 2.879 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 116 THR HB 1 117 GLY H 4.870 . 4.870 4.152 3.955 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 116 THR MG 1 117 GLY H 3.660 . 3.660 2.830 2.394 3.688 0.028 9 0 "[ . 1 . 2 . 3]" 1
1334 1 116 THR MG 1 118 GLN H 4.990 . 4.990 4.530 4.082 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 116 THR H 1 116 THR HB 3.250 . 3.250 2.550 2.413 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 116 THR H 1 116 THR MG 3.690 . 3.690 3.579 2.181 3.739 0.049 26 0 "[ . 1 . 2 . 3]" 1
1337 1 116 THR H 1 117 GLY H 4.700 . 4.700 4.477 4.339 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 117 GLY H 1 118 GLN H 3.770 . 3.770 2.407 2.141 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 118 GLN HA 1 118 GLN QG 3.630 . 3.630 2.458 2.293 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 118 GLN HA 1 119 PHE H 3.170 . 3.170 2.210 2.085 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 118 GLN QB 1 119 PHE H 3.810 . 3.810 3.217 2.284 3.872 0.062 22 0 "[ . 1 . 2 . 3]" 1
1342 1 118 GLN QG 1 119 PHE H 4.070 . 4.070 3.517 2.269 4.255 0.185 6 0 "[ . 1 . 2 . 3]" 1
1343 1 118 GLN H 1 118 GLN QB 3.310 . 3.310 2.402 2.231 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 118 GLN H 1 118 GLN HB3 3.780 . 3.780 3.209 2.350 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 118 GLN H 1 118 GLN HB2 3.780 . 3.780 2.623 2.337 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 118 GLN H 1 118 GLN QG 3.940 . 3.940 3.338 2.400 4.003 0.063 24 0 "[ . 1 . 2 . 3]" 1
1347 1 118 GLN H 1 118 GLN HG3 4.510 . 4.510 3.674 2.439 4.584 0.074 7 0 "[ . 1 . 2 . 3]" 1
1348 1 118 GLN H 1 118 GLN HG2 4.510 . 4.510 4.113 2.473 4.543 0.033 18 0 "[ . 1 . 2 . 3]" 1
1349 1 118 GLN H 1 119 PHE H 4.800 . 4.800 4.348 4.042 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 119 PHE HA 1 119 PHE QD 4.020 . 4.020 3.762 3.732 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 119 PHE HA 1 120 ARG H 3.020 . 3.020 2.299 2.201 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 119 PHE HB3 1 120 ARG H 4.170 . 4.170 3.973 3.780 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 119 PHE HB2 1 120 ARG HA 4.580 . 4.580 4.583 4.306 4.681 0.101 13 0 "[ . 1 . 2 . 3]" 1
1354 1 119 PHE HB2 1 120 ARG H 3.620 . 3.620 2.731 2.525 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 119 PHE QD 1 120 ARG H 3.980 . 3.980 3.460 3.336 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 119 PHE QD 1 121 ALA MB 4.470 . 4.470 3.308 2.550 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 119 PHE QD 1 121 ALA H 5.020 . 5.020 4.382 3.764 5.030 0.010 28 0 "[ . 1 . 2 . 3]" 1
1358 1 119 PHE QE 1 120 ARG H 5.500 . 5.500 5.511 5.384 5.589 0.089 18 0 "[ . 1 . 2 . 3]" 1
1359 1 119 PHE H 1 119 PHE QD 4.060 . 4.060 2.789 2.336 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 119 PHE H 1 120 ARG H 4.560 . 4.560 4.268 4.091 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 120 ARG HA 1 120 ARG HG3 4.190 . 4.190 3.337 2.424 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 120 ARG HA 1 120 ARG HG2 4.190 . 4.190 2.994 2.333 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 120 ARG HA 1 121 ALA H 2.970 . 2.970 2.198 2.005 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 120 ARG QB 1 121 ALA H 3.320 . 3.320 3.010 2.479 3.541 0.221 24 0 "[ . 1 . 2 . 3]" 1
1365 1 120 ARG QG 1 121 ALA H 4.670 . 4.670 3.726 2.044 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 120 ARG H 1 120 ARG QB 3.280 . 3.280 2.710 2.461 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 120 ARG H 1 120 ARG HB3 3.830 . 3.830 3.488 2.581 3.847 0.017 2 0 "[ . 1 . 2 . 3]" 1
1368 1 120 ARG H 1 120 ARG HB2 3.830 . 3.830 2.959 2.556 3.870 0.040 23 0 "[ . 1 . 2 . 3]" 1
1369 1 120 ARG H 1 120 ARG QG 4.140 . 4.140 3.423 2.398 4.191 0.051 11 0 "[ . 1 . 2 . 3]" 1
1370 1 120 ARG H 1 121 ALA H 5.150 . 5.150 4.271 4.156 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 121 ALA HA 1 122 ARG H 3.020 . 3.020 2.170 2.117 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 121 ALA MB 1 122 ARG H 3.240 . 3.240 3.066 2.634 3.280 0.040 4 0 "[ . 1 . 2 . 3]" 1
1373 1 121 ALA H 1 121 ALA MB 3.290 . 3.290 2.531 2.353 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 121 ALA H 1 122 ARG H 4.410 . 4.410 4.166 3.953 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 122 ARG HA 1 122 ARG QD 4.610 . 4.610 2.933 1.935 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 122 ARG HA 1 122 ARG HD3 5.400 . 5.400 3.763 2.427 5.458 0.058 15 0 "[ . 1 . 2 . 3]" 1
1377 1 122 ARG HA 1 122 ARG HD2 5.400 . 5.400 3.198 1.958 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 122 ARG HA 1 123 GLY H 3.080 . 3.080 2.155 2.046 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 122 ARG QB 1 123 GLY H 3.770 . 3.770 3.479 2.276 3.807 0.037 11 0 "[ . 1 . 2 . 3]" 1
1380 1 122 ARG QD 1 123 GLY H 4.830 . 4.830 3.561 1.960 4.871 0.041 3 0 "[ . 1 . 2 . 3]" 1
1381 1 122 ARG HD3 1 123 GLY H 5.500 . 5.500 4.492 1.977 5.621 0.121 28 0 "[ . 1 . 2 . 3]" 1
1382 1 122 ARG HD2 1 123 GLY H 5.500 . 5.500 3.975 2.255 5.552 0.052 27 0 "[ . 1 . 2 . 3]" 1
1383 1 122 ARG QG 1 123 GLY H 4.040 . 4.040 3.185 2.434 4.135 0.095 22 0 "[ . 1 . 2 . 3]" 1
1384 1 122 ARG HG3 1 123 GLY H 4.760 . 4.760 3.462 2.452 4.851 0.091 14 0 "[ . 1 . 2 . 3]" 1
1385 1 122 ARG HG2 1 123 GLY H 4.760 . 4.760 4.233 2.877 4.827 0.067 17 0 "[ . 1 . 2 . 3]" 1
1386 1 122 ARG H 1 122 ARG HD3 5.500 . 5.500 5.251 4.491 5.795 0.295 4 0 "[ . 1 . 2 . 3]" 1
1387 1 122 ARG H 1 122 ARG HD2 5.500 . 5.500 4.932 4.070 5.737 0.237 1 0 "[ . 1 . 2 . 3]" 1
1388 1 122 ARG H 1 122 ARG QG 4.270 . 4.270 3.821 2.268 4.285 0.015 20 0 "[ . 1 . 2 . 3]" 1
1389 1 122 ARG H 1 123 GLY H 4.530 . 4.530 4.226 4.042 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 123 GLY HA3 1 124 THR H 3.620 . 3.620 3.202 2.940 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 123 GLY HA2 1 124 THR H 3.620 . 3.620 2.145 2.064 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 124 THR HA 1 124 THR MG 3.260 . 3.260 2.536 2.186 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 124 THR HA 1 125 VAL QG 3.890 . 3.890 3.559 3.327 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 124 THR HA 1 125 VAL H 2.840 . 2.840 2.313 2.175 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 124 THR HB 1 125 VAL H 3.940 . 3.940 3.592 2.566 3.989 0.049 28 0 "[ . 1 . 2 . 3]" 1
1396 1 124 THR MG 1 125 VAL H 4.190 . 4.190 2.930 2.229 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 124 THR H 1 124 THR MG 3.670 . 3.670 3.257 2.277 3.806 0.136 13 0 "[ . 1 . 2 . 3]" 1
1398 1 124 THR H 1 125 VAL H 4.620 . 4.620 4.379 4.236 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 125 VAL HA 1 125 VAL MG1 3.390 . 3.390 2.451 2.344 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 125 VAL HA 1 125 VAL MG2 3.390 . 3.390 2.483 2.422 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 125 VAL HA 1 126 ASN H 3.170 . 3.170 2.140 2.008 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 125 VAL HB 1 126 ASN H 4.360 . 4.360 4.293 4.105 4.374 0.014 9 0 "[ . 1 . 2 . 3]" 1
1403 1 125 VAL QG 1 126 ASN HA 4.560 . 4.560 3.649 3.234 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 125 VAL QG 1 126 ASN QB 5.280 . 5.280 4.330 4.068 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 125 VAL QG 1 126 ASN H 3.360 . 3.360 2.988 2.648 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 125 VAL MG1 1 126 ASN H 4.290 . 4.290 3.147 2.676 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 125 VAL MG2 1 126 ASN H 4.290 . 4.290 4.122 2.701 4.292 0.002 23 0 "[ . 1 . 2 . 3]" 1
1408 1 125 VAL H 1 125 VAL HB 2.980 . 2.980 2.584 2.486 3.016 0.036 4 0 "[ . 1 . 2 . 3]" 1
1409 1 125 VAL H 1 125 VAL QG 3.050 . 3.050 2.343 1.985 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 125 VAL H 1 125 VAL MG1 4.460 . 4.460 3.685 1.991 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 125 VAL H 1 125 VAL MG2 4.460 . 4.460 2.489 2.227 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 125 VAL H 1 126 ASN H 4.790 . 4.790 4.241 4.114 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 126 ASN HA 1 128 ASP H 4.070 . 4.070 3.364 2.990 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 126 ASN QB 1 129 VAL QG 4.780 . 4.780 3.257 2.268 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 126 ASN HB3 1 126 ASN HD22 4.110 . 4.110 3.503 3.462 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 126 ASN HB2 1 126 ASN HD22 4.110 . 4.110 3.768 3.435 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 126 ASN QD 1 128 ASP H 4.450 . 4.450 3.865 3.279 4.474 0.024 14 0 "[ . 1 . 2 . 3]" 1
1418 1 126 ASN QD 1 129 VAL HA 4.170 . 4.170 3.350 2.451 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 126 ASN QD 1 129 VAL QG 3.640 . 3.640 2.713 1.812 3.662 0.022 26 0 "[ . 1 . 2 . 3]" 1
1420 1 126 ASN HD21 1 129 VAL HA 4.830 . 4.830 4.308 3.199 4.869 0.039 20 0 "[ . 1 . 2 . 3]" 1
1421 1 126 ASN HD22 1 129 VAL HA 4.830 . 4.830 3.502 2.532 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 126 ASN H 1 126 ASN HB3 4.100 . 4.100 2.606 2.423 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 126 ASN H 1 126 ASN HB2 4.100 . 4.100 3.082 2.738 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 126 ASN H 1 127 PRO QD 4.710 . 4.710 3.772 3.373 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 127 PRO HA 1 128 ASP H 3.480 . 3.480 3.391 3.256 3.504 0.024 15 0 "[ . 1 . 2 . 3]" 1
1426 1 127 PRO HA 1 129 VAL H 4.340 . 4.340 3.875 3.347 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 127 PRO QB 1 128 ASP H 4.070 . 4.070 3.414 2.851 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 127 PRO QD 1 128 ASP H 3.380 . 3.380 2.363 2.119 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 127 PRO HD3 1 128 ASP H 4.000 . 4.000 3.658 3.419 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 127 PRO HD2 1 128 ASP H 4.000 . 4.000 2.394 2.139 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 127 PRO HG2 1 128 ASP H 3.960 . 3.960 3.313 2.427 3.988 0.028 29 0 "[ . 1 . 2 . 3]" 1
1432 1 128 ASP HA 1 129 VAL H 3.040 . 3.040 2.434 2.044 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 128 ASP HA 1 130 GLU H 5.500 . 5.500 5.214 4.624 5.580 0.080 28 0 "[ . 1 . 2 . 3]" 1
1434 1 128 ASP QB 1 129 VAL H 4.140 . 4.140 3.849 3.610 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 128 ASP HB3 1 129 VAL H 4.820 . 4.820 4.343 4.135 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 128 ASP HB2 1 129 VAL H 4.820 . 4.820 4.322 3.863 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 128 ASP H 1 128 ASP QB 2.970 . 2.970 2.458 2.352 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 128 ASP H 1 128 ASP HB3 3.780 . 3.780 3.129 2.556 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 128 ASP H 1 128 ASP HB2 3.780 . 3.780 2.728 2.385 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 128 ASP H 1 129 VAL HA 5.180 . 5.180 4.937 4.660 5.209 0.029 20 0 "[ . 1 . 2 . 3]" 1
1441 1 128 ASP H 1 129 VAL HB 5.500 . 5.500 4.845 4.258 5.524 0.024 19 0 "[ . 1 . 2 . 3]" 1
1442 1 128 ASP H 1 129 VAL QG 3.810 . 3.810 3.688 3.043 3.921 0.111 6 0 "[ . 1 . 2 . 3]" 1
1443 1 128 ASP H 1 129 VAL H 3.410 . 3.410 3.249 2.680 3.493 0.083 8 0 "[ . 1 . 2 . 3]" 1
1444 1 129 VAL HA 1 129 VAL QG 3.030 . 3.030 2.288 2.133 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 129 VAL HA 1 129 VAL MG1 3.700 . 3.700 2.903 2.328 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 129 VAL HA 1 129 VAL MG2 3.700 . 3.700 2.445 2.357 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 129 VAL HA 1 130 GLU H 2.720 . 2.720 2.086 1.972 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 129 VAL QG 1 130 GLU H 3.130 . 3.130 2.856 2.349 3.171 0.041 7 0 "[ . 1 . 2 . 3]" 1
1449 1 129 VAL QG 1 131 THR HA 4.430 . 4.430 3.948 3.305 4.445 0.015 4 0 "[ . 1 . 2 . 3]" 1
1450 1 129 VAL QG 1 131 THR HB 5.110 . 5.110 3.859 2.169 5.311 0.201 30 0 "[ . 1 . 2 . 3]" 1
1451 1 129 VAL QG 1 131 THR H 4.850 . 4.850 4.220 3.434 4.886 0.036 11 0 "[ . 1 . 2 . 3]" 1
1452 1 129 VAL H 1 129 VAL HB 3.390 . 3.390 2.942 2.467 3.403 0.013 15 0 "[ . 1 . 2 . 3]" 1
1453 1 129 VAL H 1 129 VAL QG 2.870 . 2.870 2.292 1.883 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 129 VAL H 1 130 GLU H 4.130 . 4.130 4.123 3.708 4.275 0.145 23 0 "[ . 1 . 2 . 3]" 1
1455 1 130 GLU HA 1 131 THR H 2.650 . 2.650 2.141 1.971 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 130 GLU QB 1 131 THR H 3.580 . 3.580 3.056 2.335 3.686 0.106 7 0 "[ . 1 . 2 . 3]" 1
1457 1 130 GLU QG 1 131 THR H 4.340 . 4.340 4.039 2.898 4.371 0.031 2 0 "[ . 1 . 2 . 3]" 1
1458 1 130 GLU HG3 1 131 THR H 4.940 . 4.940 4.711 3.620 5.020 0.080 16 0 "[ . 1 . 2 . 3]" 1
1459 1 130 GLU HG2 1 131 THR H 4.940 . 4.940 4.509 3.049 5.056 0.116 5 0 "[ . 1 . 2 . 3]" 1
1460 1 130 GLU H 1 130 GLU QB 3.020 . 3.020 2.521 2.010 3.026 0.006 26 0 "[ . 1 . 2 . 3]" 1
1461 1 130 GLU H 1 130 GLU HB3 3.640 . 3.640 3.229 2.432 3.662 0.022 18 0 "[ . 1 . 2 . 3]" 1
1462 1 130 GLU H 1 130 GLU HB2 3.640 . 3.640 2.917 2.064 3.698 0.058 26 0 "[ . 1 . 2 . 3]" 1
1463 1 130 GLU H 1 130 GLU HG3 4.270 . 4.270 3.116 2.137 4.341 0.071 7 0 "[ . 1 . 2 . 3]" 1
1464 1 130 GLU H 1 130 GLU HG2 4.270 . 4.270 3.067 1.919 4.315 0.045 7 0 "[ . 1 . 2 . 3]" 1
1465 1 131 THR HA 1 131 THR MG 3.610 . 3.610 3.045 2.197 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 131 THR HA 1 132 HIS H 2.950 . 2.950 2.233 1.996 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 131 THR HB 1 132 HIS H 4.300 . 4.300 4.041 3.516 4.352 0.052 20 0 "[ . 1 . 2 . 3]" 1
1468 1 131 THR MG 1 132 HIS H 4.010 . 4.010 3.617 2.575 4.127 0.117 20 0 "[ . 1 . 2 . 3]" 1
1469 1 131 THR H 1 131 THR HB 3.770 . 3.770 3.019 2.366 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 131 THR H 1 131 THR MG 3.550 . 3.550 2.433 1.909 3.659 0.109 26 0 "[ . 1 . 2 . 3]" 1
1471 1 132 HIS H 1 132 HIS QB 3.480 . 3.480 2.660 2.311 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 92
_Distance_constraint_stats_list.Viol_count 325
_Distance_constraint_stats_list.Viol_total 217.648
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 ASP 0.071 0.033 13 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.230 0.081 5 0 "[ . 1 . 2 . 3]"
1 23 PHE 0.100 0.027 5 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.152 0.042 29 0 "[ . 1 . 2 . 3]"
1 25 ARG 0.071 0.033 13 0 "[ . 1 . 2 . 3]"
1 26 ILE 0.230 0.081 5 0 "[ . 1 . 2 . 3]"
1 27 PHE 0.100 0.027 5 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.152 0.042 29 0 "[ . 1 . 2 . 3]"
1 34 GLN 0.051 0.051 6 0 "[ . 1 . 2 . 3]"
1 35 GLU 0.092 0.035 4 0 "[ . 1 . 2 . 3]"
1 36 VAL 0.017 0.011 28 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.148 0.053 16 0 "[ . 1 . 2 . 3]"
1 38 ALA 0.251 0.051 6 0 "[ . 1 . 2 . 3]"
1 39 LEU 0.143 0.035 4 0 "[ . 1 . 2 . 3]"
1 40 LEU 0.018 0.011 28 0 "[ . 1 . 2 . 3]"
1 41 ARG 0.332 0.083 14 0 "[ . 1 . 2 . 3]"
1 42 ARG 0.236 0.034 13 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.051 0.030 9 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.001 0.001 11 0 "[ . 1 . 2 . 3]"
1 45 ALA 0.184 0.083 14 0 "[ . 1 . 2 . 3]"
1 46 ASP 0.036 0.014 4 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 GLN 0.190 0.029 6 0 "[ . 1 . 2 . 3]"
1 52 GLN 0.100 0.034 24 0 "[ . 1 . 2 . 3]"
1 55 ARG 0.100 0.034 24 0 "[ . 1 . 2 . 3]"
1 56 LEU 0.007 0.007 7 0 "[ . 1 . 2 . 3]"
1 57 LEU 0.190 0.029 6 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.756 0.080 6 0 "[ . 1 . 2 . 3]"
1 61 GLU 0.195 0.040 6 0 "[ . 1 . 2 . 3]"
1 63 ILE 0.074 0.025 1 0 "[ . 1 . 2 . 3]"
1 64 ILE 0.343 0.042 10 0 "[ . 1 . 2 . 3]"
1 65 THR 0.561 0.046 23 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.071 0.024 10 0 "[ . 1 . 2 . 3]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 VAL 0.420 0.097 3 0 "[ . 1 . 2 . 3]"
1 70 ASP 0.676 0.071 25 0 "[ . 1 . 2 . 3]"
1 71 PHE 0.540 0.096 5 0 "[ . 1 . 2 . 3]"
1 72 GLU 0.420 0.097 3 0 "[ . 1 . 2 . 3]"
1 74 LEU 0.676 0.071 25 0 "[ . 1 . 2 . 3]"
1 75 GLY 0.540 0.096 5 0 "[ . 1 . 2 . 3]"
1 81 LYS 0.150 0.063 13 0 "[ . 1 . 2 . 3]"
1 82 SER 0.035 0.020 27 0 "[ . 1 . 2 . 3]"
1 83 THR 0.245 0.047 13 0 "[ . 1 . 2 . 3]"
1 84 GLY 0.106 0.032 28 0 "[ . 1 . 2 . 3]"
1 85 PHE 0.169 0.063 13 0 "[ . 1 . 2 . 3]"
1 86 ALA 0.085 0.024 22 0 "[ . 1 . 2 . 3]"
1 87 ARG 0.295 0.047 13 0 "[ . 1 . 2 . 3]"
1 88 ASP 0.126 0.032 28 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.035 0.016 6 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.407 0.097 6 0 "[ . 1 . 2 . 3]"
1 91 ASP 0.066 0.025 6 0 "[ . 1 . 2 . 3]"
1 92 TYR 0.084 0.031 25 0 "[ . 1 . 2 . 3]"
1 93 ILE 0.118 0.038 27 0 "[ . 1 . 2 . 3]"
1 94 GLN 0.475 0.097 6 0 "[ . 1 . 2 . 3]"
1 95 GLU 0.016 0.016 27 0 "[ . 1 . 2 . 3]"
1 96 GLN 0.065 0.031 25 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.117 0.035 11 0 "[ . 1 . 2 . 3]"
1 98 TRP 0.102 0.038 27 0 "[ . 1 . 2 . 3]"
1 99 GLN 0.763 0.080 6 0 "[ . 1 . 2 . 3]"
1 107 ARG 0.312 0.042 10 0 "[ . 1 . 2 . 3]"
1 109 GLU 0.102 0.024 10 0 "[ . 1 . 2 . 3]"
1 120 ARG 0.561 0.046 23 0 "[ . 1 . 2 . 3]"
1 122 ARG 0.074 0.025 1 0 "[ . 1 . 2 . 3]"
1 124 THR 0.195 0.040 6 0 "[ . 1 . 2 . 3]"
1 127 PRO 0.639 0.082 1 0 "[ . 1 . 2 . 3]"
1 129 VAL 0.639 0.082 1 0 "[ . 1 . 2 . 3]"
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 21 ASP O 1 25 ARG H 2.300 . 2.300 2.097 1.797 2.333 0.033 13 0 "[ . 1 . 2 . 3]" 2
2 1 21 ASP O 1 25 ARG N 3.300 . 3.300 3.002 2.756 3.265 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 22 ALA O 1 26 ILE H 2.300 . 2.300 2.120 1.790 2.381 0.081 5 0 "[ . 1 . 2 . 3]" 2
4 1 22 ALA O 1 26 ILE N 3.300 . 3.300 2.981 2.658 3.218 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 23 PHE O 1 27 PHE H 2.300 . 2.300 1.947 1.773 2.310 0.027 5 0 "[ . 1 . 2 . 3]" 2
6 1 23 PHE O 1 27 PHE N 3.300 . 3.300 2.899 2.748 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 24 ALA O 1 28 GLY H 2.300 . 2.300 2.158 1.917 2.342 0.042 29 0 "[ . 1 . 2 . 3]" 2
8 1 24 ALA O 1 28 GLY N 3.300 . 3.300 2.918 2.776 3.081 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 34 GLN O 1 38 ALA H 2.300 . 2.300 2.035 1.800 2.351 0.051 6 0 "[ . 1 . 2 . 3]" 2
10 1 34 GLN O 1 38 ALA N 3.300 . 3.300 2.954 2.725 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 35 GLU O 1 39 LEU H 2.300 . 2.300 2.105 1.820 2.335 0.035 4 0 "[ . 1 . 2 . 3]" 2
12 1 35 GLU O 1 39 LEU N 3.300 . 3.300 3.027 2.783 3.254 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 36 VAL O 1 40 LEU H 2.300 . 2.300 1.928 1.789 2.143 0.011 28 0 "[ . 1 . 2 . 3]" 2
14 1 36 VAL O 1 40 LEU N 3.300 . 3.300 2.857 2.660 3.080 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 37 GLU O 1 41 ARG H 2.300 . 2.300 1.900 1.747 2.212 0.053 16 0 "[ . 1 . 2 . 3]" 2
16 1 37 GLU O 1 41 ARG N 3.300 . 3.300 2.850 2.714 3.140 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 38 ALA O 1 42 ARG H 2.300 . 2.300 2.192 1.920 2.334 0.034 13 0 "[ . 1 . 2 . 3]" 2
18 1 38 ALA O 1 42 ARG N 3.300 . 3.300 3.058 2.825 3.225 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 39 LEU O 1 43 GLU H 2.300 . 2.300 1.886 1.770 2.142 0.030 9 0 "[ . 1 . 2 . 3]" 2
20 1 39 LEU O 1 43 GLU N 3.300 . 3.300 2.796 2.681 3.053 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 40 LEU O 1 44 ALA H 2.300 . 2.300 1.950 1.799 2.176 0.001 11 0 "[ . 1 . 2 . 3]" 2
22 1 40 LEU O 1 44 ALA N 3.300 . 3.300 2.872 2.744 3.064 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 41 ARG O 1 45 ALA H 2.300 . 2.300 2.136 1.819 2.383 0.083 14 0 "[ . 1 . 2 . 3]" 2
24 1 41 ARG O 1 45 ALA N 3.300 . 3.300 3.052 2.770 3.300 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 42 ARG O 1 46 ASP H 2.300 . 2.300 1.984 1.790 2.314 0.014 4 0 "[ . 1 . 2 . 3]" 2
26 1 42 ARG O 1 46 ASP N 3.300 . 3.300 2.807 2.648 3.067 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 43 GLU O 1 47 GLY H 2.300 . 2.300 1.964 1.806 2.281 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 43 GLU O 1 47 GLY N 3.300 . 3.300 2.819 2.701 3.017 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 49 GLN H 1 57 LEU O 2.300 . 2.300 1.816 1.771 1.879 0.029 6 0 "[ . 1 . 2 . 3]" 2
30 1 49 GLN N 1 57 LEU O 3.300 . 3.300 2.764 2.689 2.832 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 52 GLN O 1 55 ARG H 2.300 . 2.300 2.194 1.879 2.334 0.034 24 0 "[ . 1 . 2 . 3]" 2
32 1 52 GLN O 1 55 ARG N 3.300 . 3.300 3.082 2.832 3.230 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 49 GLN O 1 57 LEU H 2.300 . 2.300 2.087 1.931 2.308 0.008 17 0 "[ . 1 . 2 . 3]" 2
34 1 49 GLN O 1 57 LEU N 3.300 . 3.300 3.036 2.861 3.230 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 58 ALA H 1 99 GLN O 2.300 . 2.300 1.777 1.720 1.846 0.080 6 0 "[ . 1 . 2 . 3]" 2
36 1 58 ALA N 1 99 GLN O 3.300 . 3.300 2.738 2.682 2.810 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 63 ILE H 1 122 ARG O 2.300 . 2.300 1.890 1.775 2.279 0.025 1 0 "[ . 1 . 2 . 3]" 2
38 1 63 ILE N 1 122 ARG O 3.300 . 3.300 2.833 2.739 3.110 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 64 ILE H 1 107 ARG O 2.300 . 2.300 1.822 1.758 1.986 0.042 10 0 "[ . 1 . 2 . 3]" 2
40 1 64 ILE N 1 107 ARG O 3.300 . 3.300 2.789 2.708 2.958 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 65 THR H 1 120 ARG O 2.300 . 2.300 1.828 1.754 2.301 0.046 23 0 "[ . 1 . 2 . 3]" 2
42 1 65 THR N 1 120 ARG O 3.300 . 3.300 2.770 2.707 3.090 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 66 LEU H 1 109 GLU O 2.300 . 2.300 1.903 1.776 2.167 0.024 10 0 "[ . 1 . 2 . 3]" 2
44 1 66 LEU N 1 109 GLU O 3.300 . 3.300 2.866 2.752 3.112 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 67 GLY O 1 71 PHE H 2.300 . 2.300 1.940 1.824 2.201 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 67 GLY O 1 71 PHE N 3.300 . 3.300 2.845 2.742 3.038 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 68 VAL O 1 72 GLU H 2.300 . 2.300 2.217 1.971 2.397 0.097 3 0 "[ . 1 . 2 . 3]" 2
48 1 68 VAL O 1 72 GLU N 3.300 . 3.300 3.110 2.918 3.285 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 70 ASP O 1 74 LEU H 2.300 . 2.300 2.271 2.034 2.371 0.071 25 0 "[ . 1 . 2 . 3]" 2
50 1 70 ASP O 1 74 LEU N 3.300 . 3.300 3.090 2.820 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 71 PHE O 1 75 GLY H 2.300 . 2.300 2.130 1.773 2.396 0.096 5 0 "[ . 1 . 2 . 3]" 2
52 1 71 PHE O 1 75 GLY N 3.300 . 3.300 3.009 2.652 3.306 0.006 5 0 "[ . 1 . 2 . 3]" 2
53 1 81 LYS O 1 85 PHE H 2.300 . 2.300 1.991 1.737 2.351 0.063 13 0 "[ . 1 . 2 . 3]" 2
54 1 81 LYS O 1 85 PHE N 3.300 . 3.300 2.947 2.677 3.282 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 82 SER O 1 86 ALA H 2.300 . 2.300 1.994 1.791 2.320 0.020 27 0 "[ . 1 . 2 . 3]" 2
56 1 82 SER O 1 86 ALA N 3.300 . 3.300 2.884 2.706 3.234 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 83 THR O 1 87 ARG H 2.300 . 2.300 2.167 1.792 2.347 0.047 13 0 "[ . 1 . 2 . 3]" 2
58 1 83 THR O 1 87 ARG N 3.300 . 3.300 3.082 2.754 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 84 GLY O 1 88 ASP H 2.300 . 2.300 2.125 1.808 2.332 0.032 28 0 "[ . 1 . 2 . 3]" 2
60 1 84 GLY O 1 88 ASP N 3.300 . 3.300 3.048 2.682 3.267 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 85 PHE O 1 89 LEU H 2.300 . 2.300 1.926 1.789 2.118 0.011 20 0 "[ . 1 . 2 . 3]" 2
62 1 85 PHE O 1 89 LEU N 3.300 . 3.300 2.859 2.737 3.045 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 86 ALA O 1 90 ALA H 2.300 . 2.300 1.963 1.776 2.319 0.024 22 0 "[ . 1 . 2 . 3]" 2
64 1 86 ALA O 1 90 ALA N 3.300 . 3.300 2.866 2.684 3.173 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 87 ARG O 1 91 ASP H 2.300 . 2.300 2.126 1.942 2.325 0.025 6 0 "[ . 1 . 2 . 3]" 2
66 1 87 ARG O 1 91 ASP N 3.300 . 3.300 2.998 2.859 3.191 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 88 ASP O 1 92 TYR H 2.300 . 2.300 2.015 1.781 2.227 0.019 7 0 "[ . 1 . 2 . 3]" 2
68 1 88 ASP O 1 92 TYR N 3.300 . 3.300 2.946 2.748 3.117 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 89 LEU O 1 93 ILE H 2.300 . 2.300 1.952 1.784 2.102 0.016 6 0 "[ . 1 . 2 . 3]" 2
70 1 89 LEU O 1 93 ILE N 3.300 . 3.300 2.908 2.716 3.054 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 90 ALA O 1 94 GLN H 2.300 . 2.300 2.210 2.017 2.397 0.097 6 0 "[ . 1 . 2 . 3]" 2
72 1 90 ALA O 1 94 GLN N 3.300 . 3.300 3.126 2.945 3.308 0.008 6 0 "[ . 1 . 2 . 3]" 2
73 1 91 ASP O 1 95 GLU H 2.300 . 2.300 1.984 1.784 2.239 0.016 27 0 "[ . 1 . 2 . 3]" 2
74 1 91 ASP O 1 95 GLU N 3.300 . 3.300 2.900 2.754 3.142 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 92 TYR O 1 96 GLN H 2.300 . 2.300 2.132 1.869 2.331 0.031 25 0 "[ . 1 . 2 . 3]" 2
76 1 92 TYR O 1 96 GLN N 3.300 . 3.300 2.998 2.846 3.144 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 94 GLN O 1 97 GLY H 2.300 . 2.300 2.231 1.963 2.335 0.035 11 0 "[ . 1 . 2 . 3]" 2
78 1 94 GLN O 1 97 GLY N 3.300 . 3.300 3.036 2.857 3.160 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 93 ILE O 1 98 TRP H 2.300 . 2.300 1.885 1.762 2.151 0.038 27 0 "[ . 1 . 2 . 3]" 2
80 1 93 ILE O 1 98 TRP N 3.300 . 3.300 2.840 2.721 3.124 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 56 LEU O 1 99 GLN H 2.300 . 2.300 1.947 1.793 2.157 0.007 7 0 "[ . 1 . 2 . 3]" 2
82 1 56 LEU O 1 99 GLN N 3.300 . 3.300 2.889 2.741 3.085 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 64 ILE O 1 109 GLU H 2.300 . 2.300 1.929 1.779 2.157 0.021 9 0 "[ . 1 . 2 . 3]" 2
84 1 64 ILE O 1 109 GLU N 3.300 . 3.300 2.862 2.711 3.105 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 65 THR O 1 120 ARG H 2.300 . 2.300 1.951 1.771 2.329 0.029 11 0 "[ . 1 . 2 . 3]" 2
86 1 65 THR O 1 120 ARG N 3.300 . 3.300 2.893 2.729 3.281 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 63 ILE O 1 122 ARG H 2.300 . 2.300 1.964 1.806 2.317 0.017 3 0 "[ . 1 . 2 . 3]" 2
88 1 63 ILE O 1 122 ARG N 3.300 . 3.300 2.877 2.730 3.138 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 61 GLU O 1 124 THR H 2.300 . 2.300 1.839 1.760 2.030 0.040 6 0 "[ . 1 . 2 . 3]" 2
90 1 61 GLU O 1 124 THR N 3.300 . 3.300 2.793 2.709 2.980 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 127 PRO O 1 129 VAL H 2.300 . 2.300 2.268 1.957 2.382 0.082 1 0 "[ . 1 . 2 . 3]" 2
92 1 127 PRO O 1 129 VAL N 3.300 . 3.300 3.085 2.864 3.195 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 7:45:37 PM GMT (wattos1)