NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526801 |
2lf1   |
17311 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lf1
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 1692
_Distance_constraint_stats_list.Viol_count 3889
_Distance_constraint_stats_list.Viol_total 2928.905
_Distance_constraint_stats_list.Viol_max 1.848
_Distance_constraint_stats_list.Viol_rms 0.0353
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0251
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 68.687 1.848 28 30 [**************-************+**]
1 2 ALA 0.050 0.004 18 0 "[ . 1 . 2 . 3]"
1 3 PHE 0.066 0.013 4 0 "[ . 1 . 2 . 3]"
1 4 LEU 0.567 0.019 10 0 "[ . 1 . 2 . 3]"
1 5 TRP 0.515 0.018 22 0 "[ . 1 . 2 . 3]"
1 6 ALA 0.006 0.006 5 0 "[ . 1 . 2 . 3]"
1 7 GLN 0.353 0.011 26 0 "[ . 1 . 2 . 3]"
1 8 ASP 0.381 0.028 27 0 "[ . 1 . 2 . 3]"
1 9 ARG 0.258 0.026 14 0 "[ . 1 . 2 . 3]"
1 10 ASP 0.217 0.018 14 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.215 0.026 14 0 "[ . 1 . 2 . 3]"
1 12 LEU 1.431 0.035 14 0 "[ . 1 . 2 . 3]"
1 13 ILE 1.320 0.031 5 0 "[ . 1 . 2 . 3]"
1 14 GLY 0.038 0.019 3 0 "[ . 1 . 2 . 3]"
1 15 LYS 0.737 0.035 14 0 "[ . 1 . 2 . 3]"
1 16 ASP 0.203 0.018 28 0 "[ . 1 . 2 . 3]"
1 17 GLY 0.073 0.011 14 0 "[ . 1 . 2 . 3]"
1 18 HIS 0.679 0.035 3 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.485 0.035 3 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.034 0.008 3 0 "[ . 1 . 2 . 3]"
1 21 TRP 0.396 0.014 19 0 "[ . 1 . 2 . 3]"
1 22 HIS 0.012 0.006 27 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.324 0.019 17 0 "[ . 1 . 2 . 3]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ASP 1.108 0.043 15 0 "[ . 1 . 2 . 3]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 LEU 0.742 0.045 23 0 "[ . 1 . 2 . 3]"
1 28 HIS 0.089 0.008 10 0 "[ . 1 . 2 . 3]"
1 29 TYR 0.025 0.006 12 0 "[ . 1 . 2 . 3]"
1 30 PHE 0.007 0.002 20 0 "[ . 1 . 2 . 3]"
1 31 ARG 0.012 0.005 21 0 "[ . 1 . 2 . 3]"
1 32 ALA 0.017 0.005 21 0 "[ . 1 . 2 . 3]"
1 33 GLN 0.023 0.003 20 0 "[ . 1 . 2 . 3]"
1 34 THR 0.050 0.007 21 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.139 0.021 1 0 "[ . 1 . 2 . 3]"
1 36 GLY 0.003 0.003 19 0 "[ . 1 . 2 . 3]"
1 37 LYS 0.015 0.004 19 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.344 0.023 3 0 "[ . 1 . 2 . 3]"
1 39 MET 0.425 0.013 21 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.290 0.011 9 0 "[ . 1 . 2 . 3]"
1 41 VAL 0.117 0.010 5 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.255 0.023 1 0 "[ . 1 . 2 . 3]"
1 43 ARG 0.396 0.024 30 0 "[ . 1 . 2 . 3]"
1 44 ARG 0.170 0.017 18 0 "[ . 1 . 2 . 3]"
1 45 THR 0.123 0.011 14 0 "[ . 1 . 2 . 3]"
1 46 TYR 1.765 0.044 21 0 "[ . 1 . 2 . 3]"
1 47 GLU 0.485 0.032 26 0 "[ . 1 . 2 . 3]"
1 48 SER 1.222 0.044 21 0 "[ . 1 . 2 . 3]"
1 49 PHE 0.195 0.012 21 0 "[ . 1 . 2 . 3]"
1 50 PRO 0.006 0.003 16 0 "[ . 1 . 2 . 3]"
1 51 LYS 0.120 0.010 7 0 "[ . 1 . 2 . 3]"
1 52 ARG 0.073 0.010 7 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.147 0.014 28 0 "[ . 1 . 2 . 3]"
1 54 LEU 0.108 0.011 7 0 "[ . 1 . 2 . 3]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 GLU 0.002 0.002 6 0 "[ . 1 . 2 . 3]"
1 57 ARG 0.323 0.067 15 0 "[ . 1 . 2 . 3]"
1 58 THR 0.283 0.023 3 0 "[ . 1 . 2 . 3]"
1 59 ASN 0.214 0.012 12 0 "[ . 1 . 2 . 3]"
1 60 VAL 0.142 0.008 17 0 "[ . 1 . 2 . 3]"
1 61 VAL 0.434 0.020 21 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.829 0.020 24 0 "[ . 1 . 2 . 3]"
1 63 THR 0.779 0.037 2 0 "[ . 1 . 2 . 3]"
1 64 HIS 0.063 0.011 30 0 "[ . 1 . 2 . 3]"
1 65 GLN 0.620 0.025 30 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.031 0.006 2 0 "[ . 1 . 2 . 3]"
1 67 ASP 0.051 0.030 28 0 "[ . 1 . 2 . 3]"
1 68 TYR 0.429 0.025 30 0 "[ . 1 . 2 . 3]"
1 69 GLN 0.059 0.016 21 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLN 0.382 0.032 25 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.012 0.012 25 0 "[ . 1 . 2 . 3]"
1 73 ALA 0.660 0.032 25 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.501 0.058 25 0 "[ . 1 . 2 . 3]"
1 75 VAL 0.220 0.011 18 0 "[ . 1 . 2 . 3]"
1 76 VAL 0.602 0.022 23 0 "[ . 1 . 2 . 3]"
1 77 HIS 0.284 0.014 15 0 "[ . 1 . 2 . 3]"
1 78 ASP 0.941 0.026 23 0 "[ . 1 . 2 . 3]"
1 79 VAL 1.705 0.048 8 0 "[ . 1 . 2 . 3]"
1 80 ALA 0.775 0.032 3 0 "[ . 1 . 2 . 3]"
1 81 ALA 0.329 0.026 23 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.519 0.022 4 0 "[ . 1 . 2 . 3]"
1 83 PHE 1.171 0.045 9 0 "[ . 1 . 2 . 3]"
1 84 ALA 0.756 0.025 15 0 "[ . 1 . 2 . 3]"
1 85 TYR 0.679 0.022 4 0 "[ . 1 . 2 . 3]"
1 86 ALA 1.317 0.029 21 0 "[ . 1 . 2 . 3]"
1 87 LYS 0.642 0.025 15 0 "[ . 1 . 2 . 3]"
1 88 GLN 0.780 0.032 26 0 "[ . 1 . 2 . 3]"
1 89 HIS 0.484 0.016 10 0 "[ . 1 . 2 . 3]"
1 90 PRO 0.002 0.002 16 0 "[ . 1 . 2 . 3]"
1 91 ASP 0.065 0.009 23 0 "[ . 1 . 2 . 3]"
1 92 GLN 0.068 0.009 23 0 "[ . 1 . 2 . 3]"
1 93 GLU 27.282 1.848 28 22 "[****.***** * -* ** *****+**]"
1 94 LEU 0.080 0.014 25 0 "[ . 1 . 2 . 3]"
1 95 VAL 0.058 0.008 5 0 "[ . 1 . 2 . 3]"
1 96 ILE 0.048 0.009 10 0 "[ . 1 . 2 . 3]"
1 97 ALA 0.172 0.014 17 0 "[ . 1 . 2 . 3]"
1 98 GLY 0.042 0.014 17 0 "[ . 1 . 2 . 3]"
1 99 GLY 0.152 0.009 6 0 "[ . 1 . 2 . 3]"
1 100 ALA 0.031 0.005 5 0 "[ . 1 . 2 . 3]"
1 101 GLN 0.335 0.024 1 0 "[ . 1 . 2 . 3]"
1 102 ILE 0.192 0.015 3 0 "[ . 1 . 2 . 3]"
1 103 PHE 0.014 0.006 21 0 "[ . 1 . 2 . 3]"
1 104 THR 0.403 0.014 2 0 "[ . 1 . 2 . 3]"
1 105 ALA 0.911 0.045 11 0 "[ . 1 . 2 . 3]"
1 106 PHE 0.385 0.016 25 0 "[ . 1 . 2 . 3]"
1 107 LYS 0.193 0.014 2 0 "[ . 1 . 2 . 3]"
1 108 ASP 0.041 0.041 5 0 "[ . 1 . 2 . 3]"
1 109 ASP 0.887 0.045 11 0 "[ . 1 . 2 . 3]"
1 110 VAL 11.705 1.105 22 13 "[ *** -1 * *. ***2 + * **]"
1 111 ASP 21.417 1.191 19 18 "[* *** *1***** **+2** * -*]"
1 112 THR 0.576 0.028 28 0 "[ . 1 . 2 . 3]"
1 113 LEU 1.128 0.047 12 0 "[ . 1 . 2 . 3]"
1 114 LEU 0.073 0.005 11 0 "[ . 1 . 2 . 3]"
1 115 VAL 0.364 0.013 24 0 "[ . 1 . 2 . 3]"
1 116 THR 0.290 0.009 14 0 "[ . 1 . 2 . 3]"
1 117 ARG 0.105 0.038 27 0 "[ . 1 . 2 . 3]"
1 118 LEU 0.194 0.012 26 0 "[ . 1 . 2 . 3]"
1 119 ALA 0.328 0.018 9 0 "[ . 1 . 2 . 3]"
1 120 GLY 0.016 0.003 29 0 "[ . 1 . 2 . 3]"
1 121 SER 0.406 0.018 9 0 "[ . 1 . 2 . 3]"
1 122 PHE 0.064 0.009 13 0 "[ . 1 . 2 . 3]"
1 123 GLU 0.058 0.021 30 0 "[ . 1 . 2 . 3]"
1 124 GLY 0.043 0.021 30 0 "[ . 1 . 2 . 3]"
1 125 ASP 0.001 0.001 24 0 "[ . 1 . 2 . 3]"
1 126 THR 0.029 0.005 5 0 "[ . 1 . 2 . 3]"
1 127 LYS 0.136 0.015 8 0 "[ . 1 . 2 . 3]"
1 128 MET 0.018 0.005 5 0 "[ . 1 . 2 . 3]"
1 129 ILE 0.321 0.014 4 0 "[ . 1 . 2 . 3]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 131 LEU 0.341 0.011 9 0 "[ . 1 . 2 . 3]"
1 132 ASN 0.002 0.001 12 0 "[ . 1 . 2 . 3]"
1 133 TRP 0.499 0.011 9 0 "[ . 1 . 2 . 3]"
1 134 ASP 0.054 0.008 17 0 "[ . 1 . 2 . 3]"
1 135 ASP 0.004 0.002 19 0 "[ . 1 . 2 . 3]"
1 136 PHE 0.426 0.011 7 0 "[ . 1 . 2 . 3]"
1 137 THR 0.171 0.008 12 0 "[ . 1 . 2 . 3]"
1 138 LYS 0.492 0.032 19 0 "[ . 1 . 2 . 3]"
1 139 VAL 0.302 0.013 30 0 "[ . 1 . 2 . 3]"
1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 141 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 142 ARG 0.009 0.003 21 0 "[ . 1 . 2 . 3]"
1 143 THR 0.064 0.004 4 0 "[ . 1 . 2 . 3]"
1 144 VAL 0.141 0.024 30 0 "[ . 1 . 2 . 3]"
1 145 GLU 0.326 0.016 28 0 "[ . 1 . 2 . 3]"
1 146 ASP 0.241 0.009 15 0 "[ . 1 . 2 . 3]"
1 147 THR 0.107 0.044 28 0 "[ . 1 . 2 . 3]"
1 148 ASN 0.014 0.010 14 0 "[ . 1 . 2 . 3]"
1 149 PRO 0.213 0.024 17 0 "[ . 1 . 2 . 3]"
1 150 ALA 0.267 0.024 17 0 "[ . 1 . 2 . 3]"
1 151 LEU 0.298 0.010 26 0 "[ . 1 . 2 . 3]"
1 152 THR 0.450 0.016 28 0 "[ . 1 . 2 . 3]"
1 153 HIS 0.168 0.012 26 0 "[ . 1 . 2 . 3]"
1 154 THR 0.029 0.004 4 0 "[ . 1 . 2 . 3]"
1 155 TYR 0.072 0.012 12 0 "[ . 1 . 2 . 3]"
1 156 GLU 0.212 0.012 12 0 "[ . 1 . 2 . 3]"
1 157 VAL 0.697 0.028 28 0 "[ . 1 . 2 . 3]"
1 158 TRP 0.105 0.013 7 0 "[ . 1 . 2 . 3]"
1 159 GLN 0.237 0.011 4 0 "[ . 1 . 2 . 3]"
1 160 LYS 0.059 0.036 4 0 "[ . 1 . 2 . 3]"
1 161 LYS 0.260 0.011 7 0 "[ . 1 . 2 . 3]"
1 162 ALA 0.001 0.001 14 0 "[ . 1 . 2 . 3]"
2 1 NDP 1.564 0.021 25 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 36 GLY H 1 58 THR H 4.500 . 4.500 4.109 3.538 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 37 LYS H 1 58 THR H 4.500 . 4.500 3.436 2.962 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 39 MET H 1 58 THR H 4.500 . 4.500 4.506 4.501 4.513 0.013 21 0 "[ . 1 . 2 . 3]" 1
4 1 41 VAL H 1 60 VAL H 4.500 . 4.500 3.895 3.456 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 41 VAL H 1 62 LEU H 4.500 . 4.500 3.838 3.410 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 43 ARG H 1 62 LEU H 4.500 . 4.500 4.297 4.115 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 61 VAL H 1 74 VAL H 3.500 . 3.500 3.402 3.181 3.520 0.020 21 0 "[ . 1 . 2 . 3]" 1
8 1 63 THR H 1 76 VAL H 4.500 . 4.500 3.322 3.147 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 LEU H 1 96 ILE H 4.500 . 4.500 3.787 3.267 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 40 VAL H 1 97 ALA H 5.500 . 5.500 3.798 3.562 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 42 GLY H 1 99 GLY H 3.500 . 3.500 2.650 2.422 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 45 THR H 1 99 GLY H 5.500 . 5.500 4.345 3.985 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 PHE H 1 114 LEU H 3.500 . 3.500 3.091 2.851 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 7 GLN H 1 116 THR H 4.500 . 4.500 3.680 3.493 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 16 ASP H 1 125 ASP H 5.500 . 5.500 4.256 3.483 5.501 0.001 24 0 "[ . 1 . 2 . 3]" 1
16 1 146 ASP H 1 152 THR H 5.500 . 5.500 4.146 4.074 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 119 ALA H 1 153 HIS H 5.500 . 5.500 5.085 4.822 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 144 VAL H 1 153 HIS H 4.500 . 4.500 3.836 3.543 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 117 ARG H 1 154 THR H 3.500 . 3.500 2.799 2.575 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 144 VAL H 1 154 THR H 5.500 . 5.500 4.641 4.499 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 142 ARG H 1 155 TYR H 3.500 . 3.500 3.292 3.106 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 115 VAL H 1 156 GLU H 3.500 . 3.500 2.996 2.807 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 140 SER H 1 157 VAL H 3.500 . 3.500 2.642 2.415 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 113 LEU H 1 158 TRP H 3.500 . 3.500 2.536 2.453 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 137 THR H 1 159 GLN H 3.500 . 3.500 3.034 2.923 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 139 VAL H 1 159 GLN H 4.500 . 4.500 3.729 3.374 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 137 THR H 1 161 LYS H 5.500 . 5.500 4.089 3.733 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 1 THR H1 1 93 GLU HA 4.500 . 4.500 5.409 4.686 6.348 1.848 28 22 "[****.***** * -* ** *****+**]" 1
29 1 1 THR H1 1 110 VAL HA 5.500 . 5.500 5.830 4.972 6.605 1.105 22 13 "[ *** -1 * *. ***2 + * **]" 1
30 1 2 ALA H 1 95 VAL HA 3.500 . 3.500 2.445 2.013 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 PHE H 1 113 LEU HA 3.500 . 3.500 2.505 2.117 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 LEU H 1 97 ALA HA 3.500 . 3.500 3.399 2.784 3.508 0.008 27 0 "[ . 1 . 2 . 3]" 1
33 1 5 TRP H 1 115 VAL HA 3.500 . 3.500 2.854 2.699 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 GLN H 1 117 ARG HA 3.500 . 3.500 3.441 3.177 3.510 0.010 28 0 "[ . 1 . 2 . 3]" 1
35 1 8 ASP H 1 13 ILE HA 4.500 . 4.500 4.297 3.850 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 9 ARG H 1 121 SER HA 4.500 . 4.500 2.794 2.405 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 12 LEU H 1 127 LYS HA 4.500 . 4.500 4.479 4.153 4.515 0.015 8 0 "[ . 1 . 2 . 3]" 1
38 1 13 ILE H 1 127 LYS HA 4.500 . 4.500 3.911 3.388 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 36 GLY H 1 57 ARG HA 4.500 . 4.500 2.572 2.203 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 37 LYS H 1 57 ARG HA 4.500 . 4.500 3.447 3.074 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 39 MET H 1 59 ASN HA 4.500 . 4.500 3.039 2.695 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 40 VAL H 1 96 ILE HA 3.500 . 3.500 2.839 2.606 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 41 VAL H 1 61 VAL HA 3.500 . 3.500 2.982 2.413 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 43 ARG H 1 63 THR HA 4.500 . 4.500 3.564 3.230 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 59 ASN H 1 73 ALA HA 4.500 . 4.500 3.549 3.273 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 40 VAL HA 1 60 VAL H 4.500 . 4.500 3.582 3.181 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 61 VAL H 1 75 VAL HA 3.500 . 3.500 3.349 3.198 3.503 0.003 17 0 "[ . 1 . 2 . 3]" 1
48 1 42 GLY QA 1 62 LEU H 3.500 . 3.500 3.144 2.928 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 63 THR H 1 77 HIS HA 4.500 . 4.500 3.347 3.105 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 39 MET HA 1 95 VAL H 4.500 . 4.500 2.713 2.011 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 3 PHE HA 1 96 ILE H 3.500 . 3.500 2.848 2.524 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 41 VAL HA 1 97 ALA H 4.500 . 4.500 3.678 3.335 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 41 VAL HA 1 98 GLY H 5.500 . 5.500 3.038 2.813 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 42 GLY QA 1 99 GLY H 4.500 . 4.500 2.257 1.931 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 42 GLY QA 1 101 GLN H 5.500 . 5.500 5.506 5.457 5.523 0.023 1 0 "[ . 1 . 2 . 3]" 1
56 1 4 LEU HA 1 114 LEU H 4.500 . 4.500 3.681 3.559 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 ALA HA 1 116 THR H 3.500 . 3.500 2.794 2.512 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 120 GLY H 1 150 ALA HA 3.500 . 3.500 2.729 1.996 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 12 LEU HA 1 128 MET H 4.500 . 4.500 4.179 3.848 4.505 0.005 5 0 "[ . 1 . 2 . 3]" 1
60 1 137 THR H 1 158 TRP HA 5.500 . 5.500 4.444 4.350 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 138 LYS H 1 158 TRP HA 5.500 . 5.500 4.564 4.448 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 139 VAL H 1 158 TRP HA 3.500 . 3.500 2.335 2.216 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 140 SER H 1 156 GLU HA 5.500 . 5.500 4.582 4.358 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 144 VAL H 1 154 THR HA 3.500 . 3.500 2.629 2.370 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 146 ASP H 1 152 THR HA 3.500 . 3.500 2.795 2.590 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 118 LEU HA 1 154 THR H 4.500 . 4.500 4.076 3.827 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 143 THR HA 1 155 TYR H 4.500 . 4.500 3.300 3.008 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 116 THR HA 1 156 GLU H 4.500 . 4.500 4.151 4.027 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 112 THR HA 1 158 TRP H 5.500 . 5.500 4.281 4.152 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 136 PHE HA 1 159 GLN H 4.500 . 4.500 4.438 4.320 4.506 0.006 25 0 "[ . 1 . 2 . 3]" 1
71 1 138 LYS HA 1 159 GLN H 4.500 . 4.500 3.990 3.865 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 111 ASP HA 1 160 LYS H 4.500 . 4.500 3.497 3.280 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 112 THR HA 1 160 LYS H 4.500 . 4.500 3.933 3.616 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 136 PHE HA 1 160 LYS H 5.500 . 5.500 4.316 4.086 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 136 PHE HA 1 161 LYS H 3.500 . 3.500 3.349 2.886 3.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
76 1 17 GLY QA 1 45 THR HA 5.500 . 5.500 5.365 4.933 5.511 0.011 14 0 "[ . 1 . 2 . 3]" 1
77 1 12 LEU HA 1 127 LYS HA 4.500 . 4.500 2.427 2.137 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 120 GLY QA 1 150 ALA HA 3.500 . 3.500 2.972 2.360 3.501 0.001 3 0 "[ . 1 . 2 . 3]" 1
79 1 138 LYS HA 1 158 TRP HA 3.500 . 3.500 2.435 2.337 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 TRP HD1 1 13 ILE MG 3.500 . 3.500 2.148 1.870 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 GLN HA 1 13 ILE MG 4.500 . 4.500 3.100 2.879 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 GLN HB2 1 13 ILE MG 3.500 . 3.500 3.383 3.015 3.504 0.004 20 0 "[ . 1 . 2 . 3]" 1
83 1 13 ILE MD 1 18 HIS HA 4.500 . 4.500 4.517 4.508 4.531 0.031 5 0 "[ . 1 . 2 . 3]" 1
84 1 12 LEU MD1 1 20 PRO QD 5.500 . 5.500 5.219 4.454 5.507 0.007 28 0 "[ . 1 . 2 . 3]" 1
85 1 15 LYS H 1 20 PRO QD 3.500 . 3.500 3.138 2.412 3.508 0.008 3 0 "[ . 1 . 2 . 3]" 1
86 1 6 ALA MB 1 21 TRP HZ2 3.500 . 3.500 2.058 1.881 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 GLN HA 1 21 TRP HZ2 3.500 . 3.500 2.983 2.497 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 GLN HA 1 21 TRP HH2 3.500 . 3.500 2.091 1.948 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 GLN H 1 21 TRP HZ2 4.500 . 4.500 3.482 3.096 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 ASP H 1 21 TRP HZ3 4.500 . 4.500 3.701 3.311 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 8 ASP H 1 21 TRP HH2 3.500 . 3.500 2.775 2.481 3.501 0.001 26 0 "[ . 1 . 2 . 3]" 1
92 1 12 LEU MD2 1 21 TRP HH2 4.500 . 4.500 4.078 3.268 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 LEU MD2 1 21 TRP HZ3 3.500 . 3.500 2.858 2.368 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 13 ILE HA 1 21 TRP HH2 3.500 . 3.500 2.739 2.113 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 14 GLY H 1 21 TRP HH2 5.500 . 5.500 5.001 4.333 5.502 0.002 22 0 "[ . 1 . 2 . 3]" 1
96 1 4 LEU MD1 1 29 TYR QE 4.500 . 4.500 3.933 2.847 4.500 0.000 21 0 "[ . 1 . 2 . 3]" 1
97 1 4 LEU MD2 1 30 PHE HA 4.500 . 4.500 2.735 2.284 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 4 LEU MD2 1 34 THR MG 3.500 . 3.500 3.036 2.650 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 34 THR MG 1 39 MET ME 4.500 . 4.500 4.387 3.945 4.507 0.007 21 0 "[ . 1 . 2 . 3]" 1
100 1 41 VAL MG1 1 46 TYR QE 5.500 . 5.500 5.178 4.910 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 41 VAL MG1 1 46 TYR QD 4.500 . 4.500 3.335 3.048 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 41 VAL MG1 1 46 TYR HA 4.500 . 4.500 2.689 2.314 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 41 VAL MG1 1 46 TYR H 3.500 . 3.500 2.471 2.143 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 41 VAL MG1 1 46 TYR QB 3.500 . 3.500 2.168 1.792 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 41 VAL MG2 1 46 TYR QD 5.500 . 5.500 4.978 4.179 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 41 VAL HB 1 46 TYR H 5.500 . 5.500 5.252 5.007 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 39 MET ME 1 54 LEU H 4.500 . 4.500 4.008 3.627 4.506 0.006 3 0 "[ . 1 . 2 . 3]" 1
108 1 39 MET ME 1 54 LEU MD2 5.500 . 5.500 3.882 3.379 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 39 MET ME 1 54 LEU MD1 3.500 . 3.500 1.842 1.696 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 49 PHE HZ 1 54 LEU MD1 4.500 . 4.500 3.040 2.474 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 49 PHE QE 1 54 LEU MD2 3.500 . 3.500 2.556 1.932 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 49 PHE QE 1 54 LEU MD1 3.500 . 3.500 2.126 1.843 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 49 PHE QD 1 54 LEU MD2 4.500 . 4.500 3.948 2.910 4.500 0.000 23 0 "[ . 1 . 2 . 3]" 1
114 1 35 VAL QG 1 57 ARG H 5.500 . 5.500 5.495 5.403 5.508 0.008 15 0 "[ . 1 . 2 . 3]" 1
115 1 36 GLY H 1 57 ARG QB 3.500 . 3.500 2.981 2.305 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 37 LYS H 1 57 ARG QB 3.500 . 3.500 3.222 2.554 3.504 0.004 19 0 "[ . 1 . 2 . 3]" 1
117 1 38 ILE QG 1 58 THR MG 3.500 . 3.500 3.411 2.944 3.523 0.023 3 0 "[ . 1 . 2 . 3]" 1
118 1 39 MET ME 1 59 ASN HD21 4.500 . 4.500 4.334 3.337 4.512 0.012 12 0 "[ . 1 . 2 . 3]" 1
119 1 39 MET ME 1 59 ASN QB 4.500 . 4.500 3.270 2.476 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 39 MET ME 1 59 ASN HA 3.500 . 3.500 2.957 2.476 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 54 LEU H 1 59 ASN HD21 4.500 . 4.500 3.094 2.073 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 54 LEU MD1 1 59 ASN QB 4.500 . 4.500 4.200 3.451 4.504 0.004 23 0 "[ . 1 . 2 . 3]" 1
123 1 54 LEU H 1 59 ASN HD22 3.500 . 3.500 2.069 1.876 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 38 ILE HA 1 60 VAL MG2 4.500 . 4.500 3.633 3.114 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 38 ILE MG 1 60 VAL MG2 3.500 . 3.500 1.908 1.713 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 39 MET H 1 60 VAL MG2 4.500 . 4.500 3.354 3.028 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 39 MET ME 1 60 VAL H 4.500 . 4.500 3.286 2.892 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 40 VAL HA 1 60 VAL MG2 4.500 . 4.500 3.588 3.347 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 40 VAL HA 1 60 VAL MG1 2.500 . 2.500 2.504 2.500 2.508 0.008 17 0 "[ . 1 . 2 . 3]" 1
130 1 41 VAL H 1 60 VAL MG1 3.500 . 3.500 3.302 3.161 3.501 0.001 21 0 "[ . 1 . 2 . 3]" 1
131 1 41 VAL HB 1 60 VAL H 4.500 . 4.500 4.061 3.651 4.504 0.004 3 0 "[ . 1 . 2 . 3]" 1
132 1 41 VAL MG1 1 61 VAL MG2 3.500 . 3.500 2.384 1.945 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 41 VAL MG1 1 61 VAL HA 3.500 . 3.500 1.936 1.847 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 41 VAL H 1 61 VAL MG2 4.500 . 4.500 4.351 3.933 4.506 0.006 9 0 "[ . 1 . 2 . 3]" 1
135 1 41 VAL MG1 1 61 VAL MG1 3.500 . 3.500 2.806 2.093 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 43 ARG HA 1 61 VAL MG1 3.500 . 3.500 3.072 2.851 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 43 ARG H 1 61 VAL MG1 5.500 . 5.500 4.473 4.254 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 46 TYR H 1 61 VAL MG1 5.500 . 5.500 4.034 3.608 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 46 TYR H 1 61 VAL MG2 4.500 . 4.500 4.493 4.411 4.506 0.006 17 0 "[ . 1 . 2 . 3]" 1
140 1 46 TYR QB 1 61 VAL MG2 3.500 . 3.500 2.219 1.998 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 46 TYR QB 1 61 VAL MG1 3.500 . 3.500 2.485 2.018 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 40 VAL QG 1 62 LEU MD1 3.500 . 3.500 3.147 2.784 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 41 VAL MG1 1 62 LEU H 4.500 . 4.500 2.968 2.637 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 43 ARG H 1 63 THR HB 4.500 . 4.500 4.314 4.046 4.501 0.001 26 0 "[ . 1 . 2 . 3]" 1
145 1 46 TYR QD 1 63 THR H 5.500 . 5.500 5.516 5.502 5.537 0.037 2 0 "[ . 1 . 2 . 3]" 1
146 1 46 TYR QD 1 63 THR HB 3.500 . 3.500 3.489 3.339 3.520 0.020 7 0 "[ . 1 . 2 . 3]" 1
147 1 43 ARG HE 1 65 GLN HE22 4.500 . 4.500 4.117 3.437 4.500 0.000 23 0 "[ . 1 . 2 . 3]" 1
148 1 43 ARG HE 1 65 GLN HE21 3.500 . 3.500 3.346 2.885 3.504 0.004 12 0 "[ . 1 . 2 . 3]" 1
149 1 63 THR MG 1 68 TYR H 4.500 . 4.500 4.022 3.845 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 63 THR MG 1 68 TYR QD 3.500 . 3.500 2.236 1.903 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 63 THR MG 1 68 TYR QB 3.500 . 3.500 2.078 1.881 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 61 VAL MG2 1 70 ALA MB 3.500 . 3.500 2.070 1.841 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 61 VAL MG1 1 70 ALA MB 4.500 . 4.500 2.872 2.636 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 53 PRO QG 1 73 ALA H 4.500 . 4.500 4.427 3.945 4.509 0.009 29 0 "[ . 1 . 2 . 3]" 1
155 1 53 PRO QB 1 73 ALA H 4.500 . 4.500 4.397 4.092 4.514 0.014 28 0 "[ . 1 . 2 . 3]" 1
156 1 59 ASN QB 1 73 ALA MB 4.500 . 4.500 1.833 1.716 1.927 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 61 VAL MG2 1 73 ALA H 4.500 . 4.500 4.281 4.133 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 61 VAL MG2 1 73 ALA MB 3.500 . 3.500 2.072 1.860 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 61 VAL H 1 73 ALA MB 5.500 . 5.500 3.150 2.778 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 58 THR MG 1 74 VAL MG2 3.500 . 3.500 3.084 2.731 3.504 0.004 25 0 "[ . 1 . 2 . 3]" 1
161 1 59 ASN HB2 1 74 VAL H 4.500 . 4.500 4.300 3.561 4.510 0.010 9 0 "[ . 1 . 2 . 3]" 1
162 1 60 VAL MG2 1 74 VAL H 3.500 . 3.500 3.194 2.627 3.505 0.005 4 0 "[ . 1 . 2 . 3]" 1
163 1 61 VAL MG2 1 74 VAL H 5.500 . 5.500 4.114 3.769 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 61 VAL H 1 75 VAL MG2 4.500 . 4.500 4.076 3.759 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 61 VAL MG1 1 75 VAL MG2 3.500 . 3.500 3.485 3.247 3.511 0.011 18 0 "[ . 1 . 2 . 3]" 1
166 1 61 VAL MG2 1 75 VAL MG2 4.500 . 4.500 3.433 3.044 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 63 THR H 1 75 VAL MG1 4.500 . 4.500 3.602 2.986 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 63 THR MG 1 75 VAL MG1 3.500 . 3.500 2.406 1.822 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 68 TYR H 1 75 VAL MG1 4.500 . 4.500 4.059 3.767 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 68 TYR QD 1 75 VAL MG1 3.500 . 3.500 2.103 1.821 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 68 TYR QD 1 75 VAL MG2 3.500 . 3.500 2.670 2.124 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 69 GLN HA 1 75 VAL MG2 4.500 . 4.500 2.969 2.740 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 70 ALA H 1 75 VAL MG2 3.500 . 3.500 1.806 1.767 1.845 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 70 ALA MB 1 75 VAL MG2 2.500 . 2.500 1.723 1.656 1.871 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 61 VAL HB 1 76 VAL H 5.500 . 5.500 4.116 3.901 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 62 LEU HA 1 76 VAL MG2 3.500 . 3.500 2.390 2.194 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 62 LEU MD2 1 76 VAL MG2 4.500 . 4.500 3.821 3.553 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 62 LEU MD1 1 76 VAL MG2 2.500 . 2.500 1.709 1.662 1.820 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 62 LEU MD1 1 77 HIS HA 4.500 . 4.500 3.177 2.834 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 63 THR MG 1 77 HIS HE1 3.500 . 3.500 3.481 3.284 3.507 0.007 26 0 "[ . 1 . 2 . 3]" 1
181 1 65 GLN H 1 77 HIS QB 4.500 . 4.500 4.505 4.502 4.508 0.008 5 0 "[ . 1 . 2 . 3]" 1
182 1 66 GLU HA 1 77 HIS HE1 3.500 . 3.500 3.356 3.051 3.506 0.006 2 0 "[ . 1 . 2 . 3]" 1
183 1 68 TYR H 1 77 HIS HE1 4.500 . 4.500 3.627 3.335 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 68 TYR QB 1 77 HIS HE1 3.500 . 3.500 3.303 2.940 3.502 0.002 10 0 "[ . 1 . 2 . 3]" 1
185 1 62 LEU MD2 1 78 ASP HA 5.500 . 5.500 5.049 4.691 5.514 0.014 25 0 "[ . 1 . 2 . 3]" 1
186 1 62 LEU MD1 1 78 ASP HA 4.500 . 4.500 4.162 3.555 4.519 0.019 21 0 "[ . 1 . 2 . 3]" 1
187 1 62 LEU MD1 1 78 ASP H 3.500 . 3.500 3.266 2.478 3.509 0.009 26 0 "[ . 1 . 2 . 3]" 1
188 1 62 LEU MD2 1 78 ASP H 5.500 . 5.500 5.273 4.473 5.514 0.014 27 0 "[ . 1 . 2 . 3]" 1
189 1 62 LEU MD2 1 79 VAL QG 3.500 . 3.500 3.339 3.019 3.520 0.020 24 0 "[ . 1 . 2 . 3]" 1
190 1 62 LEU MD1 1 79 VAL HA 4.500 . 4.500 3.599 3.344 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 62 LEU MD2 1 79 VAL H 5.500 . 5.500 5.123 4.882 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 62 LEU MD2 1 79 VAL HA 4.500 . 4.500 4.031 3.767 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 76 VAL HB 1 81 ALA MB 2.500 . 2.500 2.364 2.109 2.509 0.009 2 0 "[ . 1 . 2 . 3]" 1
194 1 76 VAL MG1 1 81 ALA MB 3.500 . 3.500 2.737 2.270 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 76 VAL MG2 1 81 ALA MB 3.500 . 3.500 3.456 3.257 3.510 0.010 30 0 "[ . 1 . 2 . 3]" 1
196 1 60 VAL MG1 1 82 VAL HA 5.500 . 5.500 4.514 4.231 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 60 VAL MG1 1 82 VAL MG1 4.500 . 4.500 4.272 4.088 4.501 0.001 25 0 "[ . 1 . 2 . 3]" 1
198 1 62 LEU MD1 1 82 VAL MG2 3.500 . 3.500 3.067 2.800 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 62 LEU MD2 1 82 VAL MG2 4.500 . 4.500 4.400 4.183 4.510 0.010 5 0 "[ . 1 . 2 . 3]" 1
200 1 62 LEU MD1 1 82 VAL MG1 3.500 . 3.500 2.950 2.376 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 62 LEU MD2 1 82 VAL MG1 4.500 . 4.500 3.841 3.480 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 76 VAL MG2 1 82 VAL MG1 3.500 . 3.500 3.294 3.039 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 76 VAL MG2 1 82 VAL H 4.500 . 4.500 3.151 2.906 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 76 VAL MG2 1 82 VAL HA 4.500 . 4.500 3.206 2.797 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 38 ILE MD 1 85 TYR QE 3.500 . 3.500 2.160 1.844 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 38 ILE MG 1 85 TYR QE 3.500 . 3.500 2.328 1.915 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 38 ILE MG 1 85 TYR QD 4.500 . 4.500 4.247 3.963 4.506 0.006 6 0 "[ . 1 . 2 . 3]" 1
208 1 38 ILE MD 1 85 TYR QD 4.500 . 4.500 3.900 3.591 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 58 THR MG 1 85 TYR QE 4.500 . 4.500 3.952 3.192 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 74 VAL MG1 1 85 TYR QD 4.500 . 4.500 3.798 3.023 4.507 0.007 25 0 "[ . 1 . 2 . 3]" 1
211 1 74 VAL MG2 1 85 TYR QD 4.500 . 4.500 3.941 3.325 4.512 0.012 3 0 "[ . 1 . 2 . 3]" 1
212 1 74 VAL MG2 1 85 TYR QE 4.500 . 4.500 3.739 2.482 4.506 0.006 24 0 "[ . 1 . 2 . 3]" 1
213 1 38 ILE MD 1 86 ALA HA 3.500 . 3.500 3.032 2.763 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 38 ILE MD 1 86 ALA MB 3.500 . 3.500 3.422 3.010 3.514 0.014 10 0 "[ . 1 . 2 . 3]" 1
215 1 38 ILE MD 1 89 HIS QB 3.500 . 3.500 2.304 1.885 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 38 ILE MG 1 89 HIS HD2 3.500 . 3.500 3.495 3.312 3.507 0.007 26 0 "[ . 1 . 2 . 3]" 1
217 1 38 ILE MD 1 89 HIS H 5.500 . 5.500 4.559 4.111 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 38 ILE MD 1 92 GLN QB 4.500 . 4.500 1.993 1.792 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 58 THR MG 1 92 GLN QE 4.500 . 4.500 3.278 2.094 4.500 0.000 17 0 "[ . 1 . 2 . 3]" 1
220 1 83 PHE QD 1 94 LEU QD 3.500 . 3.500 3.406 3.022 3.504 0.004 13 0 "[ . 1 . 2 . 3]" 1
221 1 86 ALA H 1 94 LEU QD 4.500 . 4.500 3.391 2.951 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 86 ALA MB 1 94 LEU QD 3.500 . 3.500 1.716 1.563 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 2 ALA MB 1 95 VAL HA 4.500 . 4.500 3.016 2.440 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 2 ALA MB 1 95 VAL MG2 3.500 . 3.500 2.531 1.930 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 2 ALA MB 1 95 VAL MG1 3.500 . 3.500 2.559 2.023 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 4 LEU HA 1 95 VAL MG1 4.500 . 4.500 4.401 4.150 4.508 0.008 5 0 "[ . 1 . 2 . 3]" 1
227 1 4 LEU H 1 95 VAL MG1 3.500 . 3.500 3.126 2.793 3.502 0.002 23 0 "[ . 1 . 2 . 3]" 1
228 1 39 MET HA 1 95 VAL MG1 4.500 . 4.500 4.209 3.791 4.504 0.004 20 0 "[ . 1 . 2 . 3]" 1
229 1 40 VAL H 1 95 VAL HB 4.500 . 4.500 4.179 3.956 4.503 0.003 4 0 "[ . 1 . 2 . 3]" 1
230 1 3 PHE QD 1 96 ILE H 4.500 . 4.500 3.269 2.517 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 40 VAL QG 1 96 ILE MD 3.500 . 3.500 2.089 1.792 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 40 VAL HB 1 96 ILE MD 4.500 . 4.500 2.021 1.814 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 4 LEU MD2 1 97 ALA MB 4.500 . 4.500 4.226 3.718 4.502 0.002 14 0 "[ . 1 . 2 . 3]" 1
234 1 30 PHE HZ 1 97 ALA MB 4.500 . 4.500 2.500 1.851 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 30 PHE QE 1 97 ALA MB 3.500 . 3.500 2.641 1.943 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 34 THR MG 1 97 ALA MB 4.500 . 4.500 4.360 4.011 4.504 0.004 30 0 "[ . 1 . 2 . 3]" 1
237 1 39 MET ME 1 97 ALA MB 3.500 . 3.500 3.391 2.878 3.508 0.008 26 0 "[ . 1 . 2 . 3]" 1
238 1 40 VAL H 1 97 ALA MB 5.500 . 5.500 4.442 3.930 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 40 VAL HB 1 97 ALA H 4.500 . 4.500 3.956 3.570 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 41 VAL MG2 1 97 ALA H 4.500 . 4.500 4.218 3.748 4.503 0.003 12 0 "[ . 1 . 2 . 3]" 1
241 1 41 VAL HA 1 97 ALA MB 4.500 . 4.500 3.857 3.333 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 41 VAL MG2 1 97 ALA MB 3.500 . 3.500 3.020 2.527 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 45 THR MG 1 97 ALA MB 4.500 . 4.500 3.774 3.308 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 ILE MD 1 99 GLY QA 3.500 . 3.500 3.380 3.038 3.509 0.009 3 0 "[ . 1 . 2 . 3]" 1
245 1 44 ARG HB2 1 99 GLY H 5.500 . 5.500 5.455 5.157 5.509 0.009 6 0 "[ . 1 . 2 . 3]" 1
246 1 45 THR HG1 1 99 GLY H 3.500 . 3.500 2.474 1.993 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 45 THR MG 1 99 GLY H 4.500 . 4.500 3.515 2.870 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 13 ILE MD 1 100 ALA H 3.500 . 3.500 2.961 2.488 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 13 ILE MD 1 100 ALA HA 5.500 . 5.500 3.352 2.827 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 13 ILE MD 1 100 ALA MB 3.500 . 3.500 2.433 1.880 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 41 VAL HA 1 102 ILE MG 4.500 . 4.500 3.765 3.251 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 42 GLY H 1 102 ILE HB 4.500 . 4.500 4.370 4.081 4.506 0.006 21 0 "[ . 1 . 2 . 3]" 1
253 1 42 GLY QA 1 102 ILE QG 4.500 . 4.500 1.963 1.830 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 42 GLY H 1 102 ILE MG 4.500 . 4.500 3.949 3.643 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 42 GLY QA 1 102 ILE MD 3.500 . 3.500 1.828 1.703 2.093 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 42 GLY H 1 102 ILE QG 4.500 . 4.500 2.533 2.111 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 42 GLY H 1 102 ILE MD 4.500 . 4.500 3.657 3.334 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 43 ARG H 1 102 ILE MD 4.500 . 4.500 2.920 2.529 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 62 LEU MD1 1 102 ILE MD 5.500 . 5.500 4.087 3.681 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 62 LEU H 1 102 ILE MD 5.500 . 5.500 4.185 3.803 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 62 LEU MD2 1 102 ILE MD 3.500 . 3.500 2.027 1.689 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 4 LEU H 1 103 PHE QE 4.500 . 4.500 3.132 2.412 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 96 ILE MD 1 103 PHE QD 5.500 . 5.500 4.709 4.293 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 96 ILE MG 1 103 PHE HA 4.500 . 4.500 2.705 2.131 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 98 GLY H 1 103 PHE QE 4.500 . 4.500 3.764 2.452 4.502 0.002 11 0 "[ . 1 . 2 . 3]" 1
266 1 62 LEU MD1 1 105 ALA MB 5.500 . 5.500 4.960 4.653 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 62 LEU MD2 1 105 ALA MB 4.500 . 4.500 3.485 3.194 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 79 VAL QG 1 105 ALA MB 2.500 . 2.500 2.248 1.797 2.506 0.006 24 0 "[ . 1 . 2 . 3]" 1
269 1 40 VAL QG 1 106 PHE QE 3.500 . 3.500 2.940 2.476 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 62 LEU MD1 1 106 PHE QE 3.500 . 3.500 3.500 3.406 3.516 0.016 25 0 "[ . 1 . 2 . 3]" 1
271 1 62 LEU MD1 1 106 PHE HZ 4.500 . 4.500 3.440 2.931 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 62 LEU MD2 1 106 PHE QE 4.500 . 4.500 2.234 1.851 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 62 LEU MD2 1 106 PHE HZ 3.500 . 3.500 3.480 3.258 3.512 0.012 21 0 "[ . 1 . 2 . 3]" 1
274 1 79 VAL QG 1 106 PHE HZ 4.500 . 4.500 3.885 3.365 4.503 0.003 4 0 "[ . 1 . 2 . 3]" 1
275 1 79 VAL QG 1 106 PHE QE 4.500 . 4.500 3.409 2.455 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 82 VAL MG1 1 106 PHE HZ 3.500 . 3.500 1.889 1.763 2.004 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 82 VAL MG1 1 106 PHE QE 4.500 . 4.500 2.667 2.344 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 82 VAL MG2 1 106 PHE HZ 3.500 . 3.500 3.258 2.951 3.504 0.004 5 0 "[ . 1 . 2 . 3]" 1
279 1 82 VAL MG2 1 106 PHE QE 4.500 . 4.500 3.942 3.710 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 82 VAL H 1 106 PHE HZ 5.500 . 5.500 5.457 5.174 5.512 0.012 18 0 "[ . 1 . 2 . 3]" 1
281 1 96 ILE MD 1 106 PHE QE 3.500 . 3.500 3.210 2.890 3.502 0.002 21 0 "[ . 1 . 2 . 3]" 1
282 1 96 ILE MG 1 106 PHE QD 4.500 . 4.500 3.766 3.107 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 96 ILE MD 1 106 PHE QD 4.500 . 4.500 3.065 2.747 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 3 PHE QE 1 107 LYS HA 3.500 . 3.500 2.780 1.977 3.502 0.002 7 0 "[ . 1 . 2 . 3]" 1
285 1 3 PHE HZ 1 107 LYS HA 3.500 . 3.500 2.992 2.718 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 83 PHE HZ 1 109 ASP QB 3.500 . 3.500 2.043 1.853 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 1 THR HB 1 110 VAL HA 3.500 . 3.500 2.587 2.010 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 3 PHE H 1 110 VAL QG 3.500 . 3.500 3.365 3.123 3.500 0.000 17 0 "[ . 1 . 2 . 3]" 1
289 1 1 THR H1 1 111 ASP QB 4.500 . 4.500 4.097 2.682 5.254 0.754 12 1 "[ . 1 + . 2 . 3]" 1
290 1 1 THR H1 1 111 ASP H 4.500 . 4.500 5.038 3.991 5.691 1.191 19 18 "[* *** *1***** **+2** * -*]" 1
291 1 2 ALA HA 1 112 THR MG 3.500 . 3.500 3.456 3.187 3.504 0.004 18 0 "[ . 1 . 2 . 3]" 1
292 1 2 ALA MB 1 112 THR HB 3.500 . 3.500 2.135 1.884 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 3 PHE H 1 112 THR HB 4.500 . 4.500 3.684 3.140 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 3 PHE QD 1 113 LEU MD1 3.500 . 3.500 2.283 1.824 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 3 PHE HB3 1 113 LEU MD1 3.500 . 3.500 2.851 2.190 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 3 PHE HB2 1 113 LEU MD1 3.500 . 3.500 1.893 1.806 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 3 PHE H 1 113 LEU MD1 3.500 . 3.500 3.153 2.395 3.506 0.006 12 0 "[ . 1 . 2 . 3]" 1
298 1 3 PHE QD 1 113 LEU MD2 4.500 . 4.500 4.201 3.451 4.503 0.003 20 0 "[ . 1 . 2 . 3]" 1
299 1 2 ALA MB 1 114 LEU MD1 2.500 . 2.500 2.387 1.958 2.503 0.003 4 0 "[ . 1 . 2 . 3]" 1
300 1 4 LEU HG 1 114 LEU MD1 5.500 . 5.500 5.114 4.692 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 33 GLN HE21 1 114 LEU QB 5.500 . 5.500 5.298 4.856 5.503 0.003 20 0 "[ . 1 . 2 . 3]" 1
302 1 33 GLN HE21 1 114 LEU MD1 4.500 . 4.500 3.700 3.104 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 33 GLN HE21 1 114 LEU MD2 5.500 . 5.500 4.568 3.650 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 5 TRP HZ2 1 115 VAL MG2 4.500 . 4.500 4.477 4.267 4.513 0.013 24 0 "[ . 1 . 2 . 3]" 1
305 1 5 TRP H 1 115 VAL MG2 5.500 . 5.500 5.486 5.340 5.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
306 1 4 LEU MD1 1 116 THR H 4.500 . 4.500 4.505 4.501 4.509 0.009 14 0 "[ . 1 . 2 . 3]" 1
307 1 6 ALA MB 1 116 THR HB 3.500 . 3.500 2.840 2.462 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 6 ALA MB 1 116 THR MG 3.500 . 3.500 3.023 2.743 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 6 ALA MB 1 116 THR H 5.500 . 5.500 4.308 4.038 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 7 GLN H 1 116 THR HB 4.500 . 4.500 3.397 3.214 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 7 GLN H 1 116 THR MG 3.500 . 3.500 3.505 3.502 3.508 0.008 14 0 "[ . 1 . 2 . 3]" 1
312 1 6 ALA HA 1 118 LEU MD1 4.500 . 4.500 3.991 3.755 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 6 ALA MB 1 118 LEU MD1 3.500 . 3.500 2.718 2.496 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 7 GLN H 1 118 LEU MD1 3.500 . 3.500 3.066 2.699 3.502 0.002 24 0 "[ . 1 . 2 . 3]" 1
315 1 21 TRP HE1 1 118 LEU MD2 4.500 . 4.500 3.749 3.472 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 21 TRP HE1 1 118 LEU MD1 3.500 . 3.500 3.337 2.872 3.506 0.006 12 0 "[ . 1 . 2 . 3]" 1
317 1 21 TRP HZ2 1 118 LEU MD2 4.500 . 4.500 4.143 3.723 4.502 0.002 10 0 "[ . 1 . 2 . 3]" 1
318 1 21 TRP HD1 1 118 LEU MD1 5.500 . 5.500 4.060 3.699 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 TRP HZ2 1 118 LEU MD1 5.500 . 5.500 3.578 2.845 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 21 TRP HD1 1 118 LEU MD2 4.500 . 4.500 3.582 3.246 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 LEU MD1 1 118 LEU MD2 3.500 . 3.500 1.917 1.751 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 LEU MD2 1 118 LEU MD2 4.500 . 4.500 3.039 2.331 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 LEU MD2 1 118 LEU MD1 3.500 . 3.500 1.827 1.675 2.057 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 8 ASP H 1 122 PHE QD 5.500 . 5.500 5.154 4.810 5.508 0.008 14 0 "[ . 1 . 2 . 3]" 1
325 1 9 ARG H 1 122 PHE QD 5.500 . 5.500 3.817 3.319 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 12 LEU MD1 1 123 GLU HA 3.500 . 3.500 3.173 2.344 3.506 0.006 14 0 "[ . 1 . 2 . 3]" 1
327 1 12 LEU MD2 1 124 GLY QA 5.500 . 5.500 2.640 2.162 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 12 LEU MD1 1 124 GLY H 4.500 . 4.500 2.304 1.952 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 12 LEU MD2 1 124 GLY H 4.500 . 4.500 2.875 2.160 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 12 LEU MD1 1 126 THR H 3.500 . 3.500 2.255 1.924 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 13 ILE QG 1 126 THR MG 3.500 . 3.500 2.322 1.820 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 13 ILE MD 1 126 THR MG 2.500 . 2.500 1.872 1.798 2.065 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 14 GLY H 1 126 THR MG 4.500 . 4.500 3.710 2.983 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 14 GLY H 1 126 THR HB 3.500 . 3.500 2.494 2.091 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 100 ALA HA 1 126 THR MG 4.500 . 4.500 4.399 3.867 4.505 0.005 5 0 "[ . 1 . 2 . 3]" 1
336 1 100 ALA H 1 126 THR MG 4.500 . 4.500 3.373 3.028 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 100 ALA MB 1 126 THR MG 2.500 . 2.500 2.277 1.825 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 12 LEU MD1 1 127 LYS HA 4.500 . 4.500 3.294 2.926 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 100 ALA MB 1 127 LYS H 4.500 . 4.500 4.046 3.567 4.503 0.003 12 0 "[ . 1 . 2 . 3]" 1
340 1 3 PHE QE 1 128 MET ME 4.500 . 4.500 3.226 2.490 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 3 PHE QD 1 128 MET ME 4.500 . 4.500 2.661 1.938 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 5 TRP HE3 1 128 MET ME 4.500 . 4.500 4.060 3.409 4.503 0.003 15 0 "[ . 1 . 2 . 3]" 1
343 1 5 TRP HZ2 1 128 MET ME 3.500 . 3.500 3.097 2.637 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 13 ILE MD 1 128 MET HA 5.500 . 5.500 4.476 3.922 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 100 ALA MB 1 128 MET HA 4.500 . 4.500 3.650 2.871 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 3 PHE HZ 1 129 ILE MD 5.500 . 5.500 5.151 4.514 5.505 0.005 29 0 "[ . 1 . 2 . 3]" 1
347 1 3 PHE QE 1 129 ILE MD 4.500 . 4.500 3.836 2.856 4.507 0.007 4 0 "[ . 1 . 2 . 3]" 1
348 1 100 ALA MB 1 129 ILE MG 3.500 . 3.500 2.994 2.563 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 104 THR H 1 129 ILE MG 3.500 . 3.500 3.503 3.412 3.512 0.012 3 0 "[ . 1 . 2 . 3]" 1
350 1 104 THR HA 1 129 ILE MD 3.500 . 3.500 2.052 1.848 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 104 THR H 1 129 ILE MD 4.500 . 4.500 3.896 3.345 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 107 LYS HB2 1 129 ILE MD 3.500 . 3.500 2.256 1.927 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 107 LYS HA 1 129 ILE MD 4.500 . 4.500 3.808 2.991 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 3 PHE QE 1 131 LEU MD1 5.500 . 5.500 5.037 4.277 5.505 0.005 12 0 "[ . 1 . 2 . 3]" 1
355 1 3 PHE QE 1 131 LEU MD2 4.500 . 4.500 3.486 2.906 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 113 LEU MD2 1 131 LEU MD2 3.500 . 3.500 3.276 2.694 3.507 0.007 12 0 "[ . 1 . 2 . 3]" 1
357 1 113 LEU MD2 1 131 LEU MD1 3.500 . 3.500 2.238 1.892 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 113 LEU MD1 1 131 LEU MD1 4.500 . 4.500 3.357 2.810 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 113 LEU MD1 1 131 LEU MD2 3.500 . 3.500 3.361 2.743 3.506 0.006 15 0 "[ . 1 . 2 . 3]" 1
360 1 113 LEU MD2 1 133 TRP HE3 4.500 . 4.500 4.433 3.951 4.506 0.006 12 0 "[ . 1 . 2 . 3]" 1
361 1 115 VAL MG1 1 133 TRP HH2 4.500 . 4.500 3.999 3.408 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 115 VAL MG2 1 133 TRP HH2 4.500 . 4.500 3.733 3.265 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 113 LEU MD2 1 136 PHE QD 5.500 . 5.500 3.483 2.541 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 113 LEU MD1 1 136 PHE QD 5.500 . 5.500 4.413 3.600 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 118 LEU HG 1 150 ALA MB 5.500 . 5.500 5.478 5.316 5.504 0.004 8 0 "[ . 1 . 2 . 3]" 1
366 1 120 GLY QA 1 150 ALA MB 3.500 . 3.500 2.497 1.906 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 22 HIS H 1 151 LEU MD2 4.500 . 4.500 4.129 3.625 4.505 0.005 14 0 "[ . 1 . 2 . 3]" 1
368 1 23 LEU MD1 1 151 LEU MD2 3.500 . 3.500 2.590 2.165 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 23 LEU MD1 1 151 LEU MD1 4.500 . 4.500 4.299 2.707 4.505 0.005 2 0 "[ . 1 . 2 . 3]" 1
370 1 23 LEU HA 1 151 LEU MD1 4.500 . 4.500 4.443 3.105 4.507 0.007 6 0 "[ . 1 . 2 . 3]" 1
371 1 24 PRO QD 1 151 LEU MD1 4.500 . 4.500 3.473 2.755 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 118 LEU MD2 1 151 LEU HA 4.500 . 4.500 3.719 3.315 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 118 LEU MD2 1 151 LEU MD2 3.500 . 3.500 3.463 3.124 3.504 0.004 24 0 "[ . 1 . 2 . 3]" 1
374 1 118 LEU MD1 1 151 LEU MD2 5.500 . 5.500 4.814 4.428 5.502 0.002 14 0 "[ . 1 . 2 . 3]" 1
375 1 146 ASP HB2 1 151 LEU H 4.500 . 4.500 4.319 4.074 4.504 0.004 14 0 "[ . 1 . 2 . 3]" 1
376 1 119 ALA MB 1 152 THR H 3.500 . 3.500 2.691 2.346 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 119 ALA MB 1 152 THR MG 3.500 . 3.500 3.109 2.617 3.501 0.001 3 0 "[ . 1 . 2 . 3]" 1
378 1 119 ALA MB 1 152 THR HB 2.500 . 2.500 1.943 1.822 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 143 THR MG 1 152 THR MG 3.500 . 3.500 2.870 2.626 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 145 GLU H 1 152 THR MG 5.500 . 5.500 3.833 3.708 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 145 GLU HG2 1 152 THR MG 3.500 . 3.500 3.492 3.065 3.516 0.016 28 0 "[ . 1 . 2 . 3]" 1
382 1 145 GLU HB3 1 152 THR MG 5.500 . 5.500 1.908 1.781 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 146 ASP H 1 152 THR HG1 4.500 . 4.500 3.325 2.112 4.502 0.002 21 0 "[ . 1 . 2 . 3]" 1
384 1 146 ASP H 1 152 THR MG 4.500 . 4.500 3.616 3.436 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 146 ASP QB 1 152 THR H 4.500 . 4.500 4.501 4.439 4.509 0.009 15 0 "[ . 1 . 2 . 3]" 1
386 1 23 LEU MD2 1 153 HIS HE1 3.500 . 3.500 3.012 2.524 3.505 0.005 4 0 "[ . 1 . 2 . 3]" 1
387 1 23 LEU MD1 1 153 HIS HE1 3.500 . 3.500 3.371 2.717 3.505 0.005 14 0 "[ . 1 . 2 . 3]" 1
388 1 116 THR MG 1 153 HIS HD2 4.500 . 4.500 4.140 3.737 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 118 LEU MD2 1 153 HIS HD2 3.500 . 3.500 3.455 3.054 3.512 0.012 26 0 "[ . 1 . 2 . 3]" 1
390 1 143 THR MG 1 153 HIS H 4.500 . 4.500 4.501 4.495 4.504 0.004 20 0 "[ . 1 . 2 . 3]" 1
391 1 116 THR MG 1 154 THR H 4.500 . 4.500 3.063 2.712 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 117 ARG QB 1 154 THR H 4.500 . 4.500 3.504 3.253 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 118 LEU MD1 1 154 THR H 5.500 . 5.500 4.506 4.108 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 142 ARG H 1 154 THR MG 3.500 . 3.500 3.256 2.804 3.503 0.003 21 0 "[ . 1 . 2 . 3]" 1
395 1 143 THR H 1 154 THR MG 4.500 . 4.500 3.917 3.353 4.504 0.004 4 0 "[ . 1 . 2 . 3]" 1
396 1 144 VAL H 1 154 THR MG 4.500 . 4.500 4.125 3.645 4.502 0.002 21 0 "[ . 1 . 2 . 3]" 1
397 1 29 TYR QD 1 155 TYR QE 3.500 . 3.500 3.387 3.088 3.506 0.006 12 0 "[ . 1 . 2 . 3]" 1
398 1 114 LEU MD1 1 155 TYR QD 5.500 . 5.500 5.311 5.046 5.502 0.002 4 0 "[ . 1 . 2 . 3]" 1
399 1 115 VAL MG2 1 155 TYR HA 4.500 . 4.500 4.290 3.961 4.503 0.003 22 0 "[ . 1 . 2 . 3]" 1
400 1 116 THR MG 1 155 TYR QE 4.500 . 4.500 3.609 3.087 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 142 ARG H 1 155 TYR QB 4.500 . 4.500 3.342 3.053 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 144 VAL QG 1 155 TYR QE 3.500 . 3.500 3.318 2.824 3.501 0.001 11 0 "[ . 1 . 2 . 3]" 1
403 1 114 LEU MD2 1 156 GLU H 4.500 . 4.500 4.338 3.860 4.503 0.003 24 0 "[ . 1 . 2 . 3]" 1
404 1 115 VAL MG1 1 156 GLU QB 4.500 . 4.500 4.447 4.009 4.508 0.008 25 0 "[ . 1 . 2 . 3]" 1
405 1 115 VAL MG1 1 156 GLU H 5.500 . 5.500 5.132 4.864 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 115 VAL HB 1 156 GLU H 5.500 . 5.500 5.467 5.213 5.508 0.008 16 0 "[ . 1 . 2 . 3]" 1
407 1 141 SER QB 1 156 GLU QG 3.500 . 3.500 2.687 2.014 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 141 SER QB 1 156 GLU QB 4.500 . 4.500 3.801 3.219 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 112 THR MG 1 157 VAL QG 2.500 . 2.500 2.518 2.505 2.528 0.028 28 0 "[ . 1 . 2 . 3]" 1
410 1 112 THR MG 1 157 VAL HA 4.500 . 4.500 4.072 3.934 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 138 LYS HG3 1 157 VAL H 4.500 . 4.500 3.143 2.926 4.509 0.009 7 0 "[ . 1 . 2 . 3]" 1
412 1 138 LYS HG2 1 157 VAL H 5.500 . 5.500 4.120 3.104 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 139 VAL QG 1 157 VAL H 4.500 . 4.500 4.317 3.786 4.511 0.011 16 0 "[ . 1 . 2 . 3]" 1
414 1 140 SER H 1 157 VAL HB 3.500 . 3.500 2.008 1.934 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 140 SER HB3 1 157 VAL H 5.500 . 5.500 3.787 3.083 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 141 SER H 1 157 VAL QG 5.500 . 5.500 4.222 3.825 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 112 THR MG 1 158 TRP H 4.500 . 4.500 2.945 2.734 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 113 LEU MD2 1 158 TRP QB 4.500 . 4.500 2.771 2.251 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 113 LEU MD1 1 158 TRP HD1 5.500 . 5.500 5.276 4.658 5.503 0.003 9 0 "[ . 1 . 2 . 3]" 1
420 1 113 LEU QB 1 158 TRP HD1 4.500 . 4.500 2.575 1.996 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 113 LEU QB 1 158 TRP H 3.500 . 3.500 3.369 2.802 3.508 0.008 28 0 "[ . 1 . 2 . 3]" 1
422 1 114 LEU MD2 1 158 TRP H 5.500 . 5.500 3.930 3.090 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 115 VAL MG1 1 158 TRP HD1 4.500 . 4.500 4.308 3.908 4.503 0.003 7 0 "[ . 1 . 2 . 3]" 1
424 1 115 VAL MG2 1 158 TRP HD1 4.500 . 4.500 3.764 3.509 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 136 PHE H 1 158 TRP HE3 5.500 . 5.500 4.847 4.324 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 137 THR H 1 158 TRP HE3 4.500 . 4.500 3.657 3.175 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 137 THR H 1 158 TRP QB 5.500 . 5.500 3.930 3.802 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 138 LYS H 1 158 TRP HE3 4.500 . 4.500 3.503 3.074 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 138 LYS HA 1 158 TRP HE3 4.500 . 4.500 3.496 3.095 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 138 LYS QD 1 158 TRP HZ2 4.500 . 4.500 2.559 2.286 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 138 LYS QD 1 158 TRP HE1 3.500 . 3.500 3.017 2.335 3.513 0.013 7 0 "[ . 1 . 2 . 3]" 1
432 1 139 VAL QG 1 158 TRP HA 3.500 . 3.500 2.203 1.933 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 112 THR MG 1 159 GLN QG 3.500 . 3.500 2.663 2.244 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 136 PHE QD 1 159 GLN H 4.500 . 4.500 4.162 3.821 4.503 0.003 19 0 "[ . 1 . 2 . 3]" 1
435 1 136 PHE HB3 1 159 GLN H 4.500 . 4.500 4.093 3.981 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 137 THR HB 1 159 GLN H 4.500 . 4.500 4.008 3.836 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 137 THR MG 1 159 GLN H 4.500 . 4.500 4.505 4.502 4.508 0.008 12 0 "[ . 1 . 2 . 3]" 1
438 1 139 VAL QG 1 159 GLN H 3.500 . 3.500 2.332 2.144 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 139 VAL QG 1 159 GLN QG 3.500 . 3.500 2.143 1.646 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 136 PHE QD 1 160 LYS H 4.500 . 4.500 3.220 2.512 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 136 PHE QE 1 160 LYS H 4.500 . 4.500 3.328 2.538 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 136 PHE H 1 161 LYS QD 5.500 . 5.500 5.006 3.976 5.501 0.001 10 0 "[ . 1 . 2 . 3]" 1
443 1 136 PHE QD 1 161 LYS H 4.500 . 4.500 4.456 4.322 4.511 0.011 13 0 "[ . 1 . 2 . 3]" 1
444 1 136 PHE QE 1 161 LYS H 5.500 . 5.500 5.424 5.267 5.506 0.006 25 0 "[ . 1 . 2 . 3]" 1
445 1 8 ASP H 1 12 LEU H 3.500 . 3.500 2.987 2.752 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 8 ASP H 1 11 GLY H 4.500 . 4.500 3.372 3.117 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 65 GLN H 1 68 TYR H 5.500 . 5.500 5.514 5.503 5.525 0.025 30 0 "[ . 1 . 2 . 3]" 1
448 1 78 ASP H 1 81 ALA H 4.500 . 4.500 4.144 3.739 4.526 0.026 23 0 "[ . 1 . 2 . 3]" 1
449 1 148 ASN H 1 151 LEU H 5.500 . 5.500 4.302 4.227 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 8 ASP H 1 10 ASP H 5.500 . 5.500 4.332 3.796 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 9 ARG H 1 11 GLY H 5.500 . 5.500 4.109 3.952 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 10 ASP H 1 12 LEU H 3.500 . 3.500 3.483 3.356 3.518 0.018 14 0 "[ . 1 . 2 . 3]" 1
453 1 16 ASP H 1 18 HIS H 5.500 . 5.500 4.356 3.866 5.507 0.007 3 0 "[ . 1 . 2 . 3]" 1
454 1 33 GLN H 1 35 VAL H 4.500 . 4.500 4.333 4.055 4.500 0.000 9 0 "[ . 1 . 2 . 3]" 1
455 1 45 THR H 1 47 GLU H 4.500 . 4.500 3.999 3.893 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 63 THR H 1 65 GLN H 5.500 . 5.500 5.233 5.113 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 66 GLU H 1 68 TYR H 4.500 . 4.500 3.966 3.896 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 71 GLN H 1 73 ALA H 4.500 . 4.500 4.503 4.363 4.532 0.032 25 0 "[ . 1 . 2 . 3]" 1
459 1 80 ALA H 1 82 VAL H 5.500 . 5.500 4.738 4.510 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 81 ALA H 1 83 PHE H 4.500 . 4.500 3.963 3.736 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 82 VAL H 1 84 ALA H 4.500 . 4.500 4.444 4.306 4.506 0.006 15 0 "[ . 1 . 2 . 3]" 1
462 1 83 PHE H 1 85 TYR H 4.500 . 4.500 4.085 3.848 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 84 ALA H 1 86 ALA H 4.500 . 4.500 4.504 4.489 4.509 0.009 21 0 "[ . 1 . 2 . 3]" 1
464 1 85 TYR H 1 87 LYS H 4.500 . 4.500 3.966 3.885 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 86 ALA H 1 88 GLN H 4.500 . 4.500 4.441 4.275 4.518 0.018 29 0 "[ . 1 . 2 . 3]" 1
466 1 87 LYS H 1 89 HIS H 4.500 . 4.500 3.801 3.757 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 100 ALA H 1 102 ILE H 4.500 . 4.500 4.134 3.954 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 101 GLN H 1 103 PHE H 4.500 . 4.500 4.151 3.771 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 133 TRP H 1 135 ASP H 5.500 . 5.500 4.442 4.375 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 150 ALA H 1 152 THR H 4.500 . 4.500 4.223 4.129 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 15 LYS H 1 19 LEU HA 4.500 . 4.500 4.287 3.864 4.508 0.008 28 0 "[ . 1 . 2 . 3]" 1
472 1 82 VAL HA 1 86 ALA H 4.500 . 4.500 4.139 3.898 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 83 PHE HA 1 87 LYS H 4.500 . 4.500 4.389 4.158 4.509 0.009 17 0 "[ . 1 . 2 . 3]" 1
474 1 105 ALA HA 1 109 ASP H 5.500 . 5.500 5.529 5.516 5.545 0.045 11 0 "[ . 1 . 2 . 3]" 1
475 1 29 TYR HA 1 32 ALA H 4.500 . 4.500 3.462 3.179 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 30 PHE HA 1 33 GLN H 4.500 . 4.500 3.756 3.519 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 31 ARG HA 1 34 THR H 3.500 . 3.500 3.273 3.017 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 44 ARG HA 1 47 GLU H 4.500 . 4.500 3.796 3.696 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 45 THR HA 1 48 SER H 4.500 . 4.500 3.108 2.996 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 80 ALA HA 1 83 PHE H 3.500 . 3.500 3.502 3.422 3.516 0.016 28 0 "[ . 1 . 2 . 3]" 1
481 1 81 ALA HA 1 84 ALA H 4.500 . 4.500 3.633 3.534 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 82 VAL HA 1 85 TYR H 3.500 . 3.500 3.303 3.119 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 83 PHE HA 1 86 ALA H 3.500 . 3.500 3.521 3.512 3.529 0.029 21 0 "[ . 1 . 2 . 3]" 1
484 1 84 ALA HA 1 87 LYS H 3.500 . 3.500 3.518 3.508 3.525 0.025 15 0 "[ . 1 . 2 . 3]" 1
485 1 86 ALA HA 1 89 HIS H 3.500 . 3.500 3.439 3.262 3.508 0.008 21 0 "[ . 1 . 2 . 3]" 1
486 1 100 ALA HA 1 103 PHE H 4.500 . 4.500 3.447 3.257 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 104 THR HA 1 107 LYS H 4.500 . 4.500 3.484 3.330 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 106 PHE HA 1 109 ASP H 4.500 . 4.500 2.706 2.605 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 133 TRP HA 1 136 PHE H 3.500 . 3.500 3.487 3.427 3.506 0.006 24 0 "[ . 1 . 2 . 3]" 1
490 1 149 PRO HA 1 152 THR H 4.500 . 4.500 4.234 4.008 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 9 ARG HA 1 11 GLY H 4.500 . 4.500 4.038 3.538 4.526 0.026 14 0 "[ . 1 . 2 . 3]" 1
492 1 12 LEU HA 1 14 GLY H 4.500 . 4.500 4.062 3.928 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 19 LEU HA 1 21 TRP H 4.500 . 4.500 3.648 3.511 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 25 ASP HA 1 27 LEU H 5.500 . 5.500 4.802 4.261 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 26 ASP HA 1 28 HIS H 5.500 . 5.500 4.812 4.521 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 30 PHE HA 1 32 ALA H 4.500 . 4.500 4.331 4.041 4.502 0.002 20 0 "[ . 1 . 2 . 3]" 1
497 1 34 THR HA 1 36 GLY H 5.500 . 5.500 5.055 4.297 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 35 VAL HA 1 37 LYS H 4.500 . 4.500 3.796 3.588 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 47 GLU HA 1 49 PHE H 4.500 . 4.500 3.738 3.576 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 49 PHE HA 1 51 LYS H 4.500 . 4.500 3.833 3.560 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 52 ARG HA 1 54 LEU H 5.500 . 5.500 3.332 3.011 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 55 PRO HA 1 57 ARG H 4.500 . 4.500 3.496 3.434 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 65 GLN HA 1 67 ASP H 4.500 . 4.500 3.842 3.758 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 66 GLU HA 1 68 TYR H 4.500 . 4.500 3.736 3.663 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 71 GLN HA 1 73 ALA H 4.500 . 4.500 3.666 3.589 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 78 ASP HA 1 80 ALA H 4.500 . 4.500 4.295 4.113 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 79 VAL HA 1 81 ALA H 4.500 . 4.500 4.361 4.053 4.505 0.005 18 0 "[ . 1 . 2 . 3]" 1
508 1 82 VAL HA 1 84 ALA H 4.500 . 4.500 4.302 4.088 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 84 ALA HA 1 86 ALA H 5.500 . 5.500 4.903 4.856 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 86 ALA HA 1 88 GLN H 4.500 . 4.500 4.511 4.445 4.526 0.026 20 0 "[ . 1 . 2 . 3]" 1
511 1 89 HIS HA 1 91 ASP H 4.500 . 4.500 3.398 3.115 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 100 ALA HA 1 102 ILE H 4.500 . 4.500 4.227 4.038 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 118 LEU HA 1 120 GLY H 4.500 . 4.500 4.346 4.044 4.503 0.003 29 0 "[ . 1 . 2 . 3]" 1
514 1 132 ASN HA 1 134 ASP H 4.500 . 4.500 3.650 3.525 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 133 TRP HA 1 135 ASP H 4.500 . 4.500 4.348 4.266 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 134 ASP HA 1 136 PHE H 4.500 . 4.500 3.627 3.555 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 138 LYS HA 1 140 SER H 4.500 . 4.500 3.671 3.522 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 146 ASP HA 1 148 ASN H 5.500 . 5.500 4.649 4.536 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 148 ASN HA 1 150 ALA H 4.500 . 4.500 3.959 3.887 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 150 ALA HA 1 152 THR H 4.500 . 4.500 3.433 3.389 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 8 ASP H 1 12 LEU QB 3.500 . 3.500 2.735 2.548 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 7 GLN QB 1 11 GLY H 4.500 . 4.500 3.688 3.563 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 10 ASP QB 1 12 LEU H 5.500 . 5.500 2.903 2.629 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 19 LEU QB 1 21 TRP H 3.500 . 3.500 2.810 2.251 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 23 LEU QB 1 25 ASP H 4.500 . 4.500 3.983 3.290 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 42 GLY H 1 45 THR HB 3.500 . 3.500 2.540 1.972 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 46 TYR QB 1 48 SER H 5.500 . 5.500 4.939 4.783 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 49 PHE QB 1 51 LYS H 4.500 . 4.500 3.135 2.833 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 63 THR HB 1 65 GLN H 5.500 . 5.500 4.480 4.304 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 69 GLN QB 1 71 GLN H 5.500 . 5.500 4.302 4.183 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 70 ALA MB 1 73 ALA H 5.500 . 5.500 3.282 3.133 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 73 ALA MB 1 75 VAL H 5.500 . 5.500 5.230 5.033 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 77 HIS H 1 81 ALA MB 3.500 . 3.500 3.135 2.652 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 76 VAL HB 1 78 ASP H 3.500 . 3.500 2.916 2.833 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 78 ASP H 1 81 ALA MB 3.500 . 3.500 2.562 2.196 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 78 ASP QB 1 80 ALA H 3.500 . 3.500 2.806 2.450 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 78 ASP HB3 1 81 ALA H 4.500 . 4.500 2.443 1.885 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 80 ALA MB 1 82 VAL H 5.500 . 5.500 5.018 4.875 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 84 ALA MB 1 86 ALA H 5.500 . 5.500 4.868 4.800 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 87 LYS QB 1 89 HIS H 5.500 . 5.500 4.325 4.276 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 89 HIS QB 1 92 GLN H 3.500 . 3.500 3.139 2.781 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 99 GLY H 1 102 ILE HB 4.500 . 4.500 3.166 2.404 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 106 PHE QB 1 109 ASP H 4.500 . 4.500 4.149 4.021 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 118 LEU QB 1 120 GLY H 4.500 . 4.500 2.921 2.637 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 119 ALA MB 1 121 SER H 5.500 . 5.500 5.511 5.502 5.518 0.018 9 0 "[ . 1 . 2 . 3]" 1
546 1 131 LEU QB 1 133 TRP H 4.500 . 4.500 3.665 3.524 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 132 ASN HB2 1 135 ASP H 5.500 . 5.500 4.736 4.616 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 133 TRP QB 1 136 PHE H 5.500 . 5.500 4.522 4.462 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 146 ASP QB 1 148 ASN H 3.500 . 3.500 2.646 2.519 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 148 ASN H 1 151 LEU QB 4.500 . 4.500 2.904 2.658 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 148 ASN QB 1 150 ALA H 4.500 . 4.500 2.658 2.477 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 148 ASN QB 1 151 LEU H 4.500 . 4.500 2.498 2.258 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 150 ALA MB 1 152 THR H 4.500 . 4.500 4.284 4.264 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 29 TYR HA 1 32 ALA MB 2.500 . 2.500 2.222 1.957 2.502 0.002 25 0 "[ . 1 . 2 . 3]" 1
555 1 78 ASP HA 1 81 ALA MB 4.500 . 4.500 4.114 3.631 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 81 ALA HA 1 84 ALA MB 3.500 . 3.500 3.211 3.037 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 83 PHE HA 1 86 ALA MB 3.500 . 3.500 2.697 2.497 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 102 ILE HA 1 105 ALA MB 3.500 . 3.500 3.095 2.636 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 106 PHE HA 1 109 ASP HB2 3.500 . 3.500 2.541 2.108 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 106 PHE HA 1 109 ASP HB3 3.500 . 3.500 3.229 2.691 3.503 0.003 2 0 "[ . 1 . 2 . 3]" 1
561 1 5 TRP HE1 1 7 GLN H 5.500 . 5.500 5.032 4.851 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 5 TRP H 1 7 GLN HE21 4.500 . 4.500 4.503 4.481 4.511 0.011 26 0 "[ . 1 . 2 . 3]" 1
563 1 5 TRP HD1 1 7 GLN H 5.500 . 5.500 4.471 4.330 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 5 TRP HA 1 7 GLN HE21 5.500 . 5.500 5.147 5.030 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 8 ASP HB2 1 12 LEU MD2 4.500 . 4.500 4.421 3.211 4.528 0.028 27 0 "[ . 1 . 2 . 3]" 1
566 1 8 ASP H 1 12 LEU MD2 4.500 . 4.500 4.488 3.955 4.511 0.011 1 0 "[ . 1 . 2 . 3]" 1
567 1 12 LEU HG 1 14 GLY H 3.500 . 3.500 2.575 2.286 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 12 LEU MD1 1 14 GLY H 3.500 . 3.500 3.287 2.685 3.519 0.019 3 0 "[ . 1 . 2 . 3]" 1
569 1 12 LEU HG 1 15 LYS H 5.500 . 5.500 5.493 5.162 5.535 0.035 14 0 "[ . 1 . 2 . 3]" 1
570 1 13 ILE QG 1 16 ASP H 5.500 . 5.500 5.475 5.173 5.518 0.018 28 0 "[ . 1 . 2 . 3]" 1
571 1 14 GLY QA 1 16 ASP H 5.500 . 5.500 3.795 3.321 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 19 LEU MD2 1 21 TRP H 5.500 . 5.500 4.939 4.367 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 19 LEU MD2 1 21 TRP HZ2 4.500 . 4.500 3.705 3.160 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 19 LEU MD2 1 21 TRP HE1 2.500 . 2.500 2.453 2.002 2.506 0.006 26 0 "[ . 1 . 2 . 3]" 1
575 1 19 LEU MD1 1 21 TRP H 4.500 . 4.500 3.036 2.089 4.504 0.004 22 0 "[ . 1 . 2 . 3]" 1
576 1 19 LEU HB2 1 21 TRP HE1 3.500 . 3.500 2.599 2.322 3.501 0.001 22 0 "[ . 1 . 2 . 3]" 1
577 1 21 TRP HD1 1 23 LEU H 4.500 . 4.500 2.980 2.418 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 21 TRP HE1 1 23 LEU MD2 3.500 . 3.500 3.003 2.169 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 21 TRP HD1 1 23 LEU MD2 4.500 . 4.500 3.431 2.805 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 21 TRP HE1 1 23 LEU MD1 3.500 . 3.500 3.302 2.656 3.504 0.004 21 0 "[ . 1 . 2 . 3]" 1
581 1 21 TRP HE1 1 23 LEU HB2 3.500 . 3.500 3.429 2.911 3.506 0.006 20 0 "[ . 1 . 2 . 3]" 1
582 1 31 ARG HA 1 34 THR MG 4.500 . 4.500 3.736 3.350 4.501 0.001 9 0 "[ . 1 . 2 . 3]" 1
583 1 32 ALA HA 1 35 VAL QG 4.500 . 4.500 2.578 2.144 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 38 ILE MD 1 40 VAL QG 4.500 . 4.500 4.452 4.180 4.511 0.011 9 0 "[ . 1 . 2 . 3]" 1
585 1 39 MET ME 1 41 VAL MG2 3.500 . 3.500 3.149 2.467 3.504 0.004 19 0 "[ . 1 . 2 . 3]" 1
586 1 39 MET ME 1 41 VAL MG1 4.500 . 4.500 3.810 3.338 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 41 VAL MG2 1 45 THR HB 4.500 . 4.500 1.821 1.751 1.873 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 41 VAL HB 1 45 THR MG 4.500 . 4.500 4.167 3.964 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 41 VAL MG1 1 45 THR HB 4.500 . 4.500 2.481 1.988 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 42 GLY HA2 1 45 THR HG1 4.500 . 4.500 4.005 3.515 4.503 0.003 5 0 "[ . 1 . 2 . 3]" 1
591 1 42 GLY H 1 45 THR MG 4.500 . 4.500 2.916 2.537 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 42 GLY H 1 45 THR HG1 5.500 . 5.500 2.551 1.971 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 45 THR MG 1 48 SER H 5.500 . 5.500 4.482 4.353 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 46 TYR QE 1 48 SER H 5.500 . 5.500 5.535 5.528 5.544 0.044 21 0 "[ . 1 . 2 . 3]" 1
595 1 45 THR MG 1 49 PHE QD 4.500 . 4.500 2.242 1.916 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 49 PHE H 1 52 ARG QG 5.500 . 5.500 3.538 2.786 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 49 PHE H 1 52 ARG QD 4.500 . 4.500 4.130 3.145 4.505 0.005 19 0 "[ . 1 . 2 . 3]" 1
598 1 51 LYS H 1 54 LEU MD2 4.500 . 4.500 4.416 3.873 4.507 0.007 9 0 "[ . 1 . 2 . 3]" 1
599 1 54 LEU MD2 1 57 ARG HD2 4.500 . 4.500 4.146 3.233 4.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
600 1 57 ARG H 1 59 ASN HD22 5.500 . 5.500 4.415 3.948 5.500 0.000 15 0 "[ . 1 . 2 . 3]" 1
601 1 57 ARG H 1 59 ASN HD21 5.500 . 5.500 4.843 4.422 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 57 ARG QG 1 59 ASN HD21 4.500 . 4.500 3.241 2.715 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 57 ARG QG 1 59 ASN HD22 3.500 . 3.500 2.534 1.963 3.501 0.001 17 0 "[ . 1 . 2 . 3]" 1
604 1 58 THR MG 1 60 VAL MG2 3.500 . 3.500 3.063 2.652 3.501 0.001 6 0 "[ . 1 . 2 . 3]" 1
605 1 61 VAL MG1 1 63 THR MG 3.500 . 3.500 2.503 2.149 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 63 THR MG 1 65 GLN H 3.500 . 3.500 3.126 2.803 3.503 0.003 5 0 "[ . 1 . 2 . 3]" 1
607 1 65 GLN QG 1 67 ASP H 5.500 . 5.500 4.213 3.972 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 66 GLU QG 1 68 TYR H 5.500 . 5.500 4.452 4.274 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 67 ASP HA 1 69 GLN HE21 5.500 . 5.500 3.712 2.923 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 67 ASP HA 1 69 GLN HE22 5.500 . 5.500 4.407 3.111 5.513 0.013 22 0 "[ . 1 . 2 . 3]" 1
611 1 68 TYR QD 1 70 ALA H 5.500 . 5.500 3.742 3.082 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 68 TYR QD 1 70 ALA MB 3.500 . 3.500 2.968 2.663 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 70 ALA MB 1 72 GLY QA 5.500 . 5.500 5.142 5.065 5.198 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 71 GLN H 1 75 VAL MG2 5.500 . 5.500 4.797 4.700 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 73 ALA MB 1 75 VAL MG2 4.500 . 4.500 3.837 3.647 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 73 ALA H 1 75 VAL MG2 4.500 . 4.500 4.470 4.376 4.509 0.009 12 0 "[ . 1 . 2 . 3]" 1
617 1 74 VAL HB 1 76 VAL MG1 4.500 . 4.500 3.855 3.177 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 74 VAL HB 1 76 VAL MG2 4.500 . 4.500 4.482 4.305 4.509 0.009 28 0 "[ . 1 . 2 . 3]" 1
619 1 75 VAL MG1 1 77 HIS HE1 2.500 . 2.500 2.182 1.970 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 76 VAL MG1 1 78 ASP H 4.500 . 4.500 4.461 4.384 4.522 0.022 23 0 "[ . 1 . 2 . 3]" 1
621 1 76 VAL MG2 1 78 ASP H 3.500 . 3.500 3.508 3.456 3.517 0.017 11 0 "[ . 1 . 2 . 3]" 1
622 1 78 ASP HB3 1 80 ALA MB 4.500 . 4.500 3.402 2.977 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 79 VAL QG 1 81 ALA H 4.500 . 4.500 4.098 3.781 4.526 0.026 19 0 "[ . 1 . 2 . 3]" 1
624 1 78 ASP H 1 82 VAL MG1 5.500 . 5.500 5.132 4.712 5.456 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 80 ALA H 1 83 PHE QD 5.500 . 5.500 4.326 3.765 5.517 0.017 15 0 "[ . 1 . 2 . 3]" 1
626 1 80 ALA MB 1 83 PHE QB 4.500 . 4.500 3.630 3.423 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 80 ALA MB 1 83 PHE QD 4.500 . 4.500 3.801 3.414 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 82 VAL MG2 1 84 ALA H 5.500 . 5.500 5.284 4.992 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 82 VAL MG1 1 85 TYR H 5.500 . 5.500 4.776 4.653 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 82 VAL MG2 1 85 TYR QD 3.500 . 3.500 1.785 1.749 1.813 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 82 VAL MG1 1 85 TYR QD 3.500 . 3.500 3.512 3.503 3.522 0.022 4 0 "[ . 1 . 2 . 3]" 1
632 1 82 VAL MG2 1 85 TYR H 4.500 . 4.500 4.440 4.119 4.509 0.009 20 0 "[ . 1 . 2 . 3]" 1
633 1 82 VAL MG1 1 86 ALA H 5.500 . 5.500 4.486 4.357 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 82 VAL MG2 1 86 ALA H 4.500 . 4.500 3.724 3.377 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 82 VAL MG2 1 86 ALA MB 4.500 . 4.500 3.650 3.245 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 83 PHE QD 1 86 ALA MB 3.500 . 3.500 3.243 3.045 3.510 0.010 16 0 "[ . 1 . 2 . 3]" 1
637 1 84 ALA MB 1 87 LYS HB3 4.500 . 4.500 4.497 4.445 4.509 0.009 14 0 "[ . 1 . 2 . 3]" 1
638 1 84 ALA MB 1 88 GLN HE21 5.500 . 5.500 4.779 3.026 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 96 ILE MG 1 98 GLY H 3.500 . 3.500 2.479 1.967 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 98 GLY H 1 102 ILE MG 4.500 . 4.500 3.793 3.356 4.501 0.001 17 0 "[ . 1 . 2 . 3]" 1
641 1 99 GLY H 1 102 ILE MG 4.500 . 4.500 4.037 3.784 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 99 GLY H 1 102 ILE MD 4.500 . 4.500 3.232 1.794 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 99 GLY QA 1 102 ILE H 4.500 . 4.500 3.707 3.608 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 102 ILE MD 1 105 ALA MB 5.500 . 5.500 4.039 3.639 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 102 ILE MG 1 106 PHE QD 4.500 . 4.500 2.665 2.179 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 104 THR MG 1 107 LYS H 4.500 . 4.500 4.502 4.428 4.514 0.014 2 0 "[ . 1 . 2 . 3]" 1
647 1 104 THR MG 1 107 LYS QD 3.500 . 3.500 2.392 1.867 3.511 0.011 11 0 "[ . 1 . 2 . 3]" 1
648 1 107 LYS HA 1 110 VAL QG 4.500 . 4.500 2.122 1.942 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 110 VAL QG 1 113 LEU MD2 5.500 . 5.500 3.653 3.248 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 112 THR MG 1 114 LEU MD2 4.500 . 4.500 3.394 2.761 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 112 THR MG 1 114 LEU HG 3.500 . 3.500 2.620 2.337 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 113 LEU MD2 1 115 VAL MG2 4.500 . 4.500 4.137 2.578 4.502 0.002 17 0 "[ . 1 . 2 . 3]" 1
653 1 116 THR MG 1 118 LEU MD1 4.500 . 4.500 2.133 1.967 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 118 LEU HG 1 120 GLY H 5.500 . 5.500 4.282 3.743 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 118 LEU MD2 1 120 GLY H 5.500 . 5.500 3.802 3.162 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 124 GLY QA 1 126 THR H 4.500 . 4.500 3.389 3.193 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 128 MET ME 1 131 LEU MD1 3.500 . 3.500 2.487 1.922 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 128 MET ME 1 131 LEU MD2 4.500 . 4.500 2.012 1.810 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 128 MET HG2 1 131 LEU MD1 3.500 . 3.500 3.243 2.878 3.503 0.003 7 0 "[ . 1 . 2 . 3]" 1
660 1 129 ILE MD 1 131 LEU MD2 2.500 . 2.500 1.746 1.649 1.932 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 129 ILE HB 1 131 LEU MD2 4.500 . 4.500 4.174 3.769 4.501 0.001 9 0 "[ . 1 . 2 . 3]" 1
662 1 130 PRO HA 1 133 TRP HE1 4.500 . 4.500 3.686 3.235 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 131 LEU MD1 1 133 TRP HH2 3.500 . 3.500 3.435 3.187 3.503 0.003 24 0 "[ . 1 . 2 . 3]" 1
664 1 131 LEU H 1 133 TRP HE1 3.500 . 3.500 2.699 2.188 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 131 LEU MD1 1 133 TRP HZ2 4.500 . 4.500 2.393 2.046 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 131 LEU HG 1 133 TRP HE1 3.500 . 3.500 3.505 3.502 3.511 0.011 9 0 "[ . 1 . 2 . 3]" 1
667 1 131 LEU MD1 1 133 TRP HE1 4.500 . 4.500 3.001 1.951 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 131 LEU QB 1 133 TRP HE1 3.500 . 3.500 3.504 3.500 3.509 0.009 23 0 "[ . 1 . 2 . 3]" 1
669 1 132 ASN HD21 1 134 ASP H 4.500 . 4.500 3.319 2.437 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 132 ASN HD21 1 135 ASP H 3.500 . 3.500 2.352 1.992 3.501 0.001 12 0 "[ . 1 . 2 . 3]" 1
671 1 132 ASN HD22 1 135 ASP H 4.500 . 4.500 3.596 2.770 4.500 0.000 26 0 "[ . 1 . 2 . 3]" 1
672 1 133 TRP H 1 136 PHE QD 5.500 . 5.500 4.847 4.104 5.506 0.006 23 0 "[ . 1 . 2 . 3]" 1
673 1 138 LYS QG 1 140 SER H 4.500 . 4.500 2.618 2.403 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 142 ARG QG 1 144 VAL H 4.500 . 4.500 4.288 3.954 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 148 ASN HD21 1 150 ALA MB 5.500 . 5.500 4.776 2.757 5.501 0.001 25 0 "[ . 1 . 2 . 3]" 1
676 1 148 ASN H 1 151 LEU MD1 5.500 . 5.500 2.989 2.552 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 148 ASN QB 1 151 LEU MD1 3.500 . 3.500 2.365 1.975 3.510 0.010 14 0 "[ . 1 . 2 . 3]" 1
678 1 148 ASN HD21 1 151 LEU MD1 3.500 . 3.500 2.734 1.936 3.501 0.001 4 0 "[ . 1 . 2 . 3]" 1
679 1 148 ASN HD22 1 151 LEU MD1 5.500 . 5.500 4.096 3.356 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 149 PRO QD 1 151 LEU H 5.500 . 5.500 4.224 4.086 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 154 THR MG 1 156 GLU HA 4.500 . 4.500 4.442 4.197 4.503 0.003 4 0 "[ . 1 . 2 . 3]" 1
682 1 154 THR MG 1 156 GLU QG 3.500 . 3.500 2.458 2.139 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 156 GLU QB 1 158 TRP HE1 2.500 . 2.500 2.026 1.882 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 9 ARG H 1 10 ASP H 3.500 . 3.500 2.646 2.493 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 10 ASP H 1 11 GLY H 3.500 . 3.500 2.390 2.213 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 11 GLY H 1 12 LEU H 3.500 . 3.500 2.231 1.809 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 13 ILE H 1 14 GLY H 3.500 . 3.500 1.742 1.676 1.818 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 14 GLY H 1 15 LYS H 4.500 . 4.500 4.354 4.210 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 15 LYS H 1 16 ASP H 4.500 . 4.500 3.121 2.731 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 16 ASP H 1 17 GLY H 4.500 . 4.500 2.534 2.209 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 17 GLY H 1 18 HIS H 4.500 . 4.500 2.666 2.189 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 18 HIS H 1 19 LEU H 4.500 . 4.500 4.278 2.625 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 21 TRP H 1 22 HIS H 5.500 . 5.500 4.552 4.395 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 25 ASP H 1 26 ASP H 3.500 . 3.500 2.600 2.415 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 26 ASP H 1 27 LEU H 3.500 . 3.500 2.655 2.452 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 27 LEU H 1 28 HIS H 3.500 . 3.500 2.831 2.665 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 28 HIS H 1 29 TYR H 4.500 . 4.500 2.782 2.544 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 30 PHE H 1 31 ARG H 3.500 . 3.500 2.824 2.593 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 31 ARG H 1 32 ALA H 4.500 . 4.500 2.558 2.346 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 32 ALA H 1 33 GLN H 3.500 . 3.500 2.564 2.383 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 33 GLN H 1 34 THR H 3.500 . 3.500 2.268 2.128 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 34 THR H 1 35 VAL H 3.500 . 3.500 3.010 2.862 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 36 GLY H 1 37 LYS H 3.500 . 3.500 2.318 1.970 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 37 LYS H 1 38 ILE H 4.500 . 4.500 4.401 4.316 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 38 ILE H 1 39 MET H 4.500 . 4.500 4.313 4.185 4.503 0.003 10 0 "[ . 1 . 2 . 3]" 1
706 1 42 GLY H 1 43 ARG H 5.500 . 5.500 4.585 4.524 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 43 ARG H 1 44 ARG H 4.500 . 4.500 2.958 2.684 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 44 ARG H 1 45 THR H 3.500 . 3.500 2.675 2.584 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 45 THR H 1 46 TYR H 3.500 . 3.500 2.667 2.553 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 46 TYR H 1 47 GLU H 3.500 . 3.500 2.820 2.748 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 48 SER H 1 49 PHE H 3.500 . 3.500 2.618 2.310 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 51 LYS H 1 52 ARG H 4.500 . 4.500 3.496 3.297 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 56 GLU H 1 57 ARG H 3.500 . 3.500 2.831 2.680 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 57 ARG H 1 58 THR H 4.500 . 4.500 4.396 4.382 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 58 THR H 1 59 ASN H 4.500 . 4.500 4.397 4.313 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 61 VAL H 1 62 LEU H 5.500 . 5.500 4.478 4.430 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 62 LEU H 1 63 THR H 4.500 . 4.500 3.963 3.883 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 63 THR H 1 64 HIS H 4.500 . 4.500 4.413 4.374 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 64 HIS H 1 65 GLN H 4.500 . 4.500 2.583 2.482 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 65 GLN H 1 66 GLU H 5.500 . 5.500 4.552 4.533 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 66 GLU H 1 67 ASP H 4.500 . 4.500 2.346 2.320 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 67 ASP H 1 68 TYR H 3.500 . 3.500 2.715 2.645 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 68 TYR H 1 69 GLN H 5.500 . 5.500 4.598 4.545 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 69 GLN H 1 70 ALA H 4.500 . 4.500 4.095 3.984 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 71 GLN H 1 72 GLY H 5.500 . 5.500 4.506 4.430 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 72 GLY H 1 73 ALA H 3.500 . 3.500 2.780 2.649 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 73 ALA H 1 74 VAL H 5.500 . 5.500 4.463 4.452 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 74 VAL H 1 75 VAL H 5.500 . 5.500 4.580 4.530 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 75 VAL H 1 76 VAL H 5.500 . 5.500 4.437 4.332 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 77 HIS H 1 78 ASP H 3.500 . 3.500 2.149 1.784 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 78 ASP H 1 79 VAL H 4.500 . 4.500 4.417 4.185 4.514 0.014 15 0 "[ . 1 . 2 . 3]" 1
732 1 79 VAL H 1 80 ALA H 3.500 . 3.500 2.590 2.461 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 81 ALA H 1 82 VAL H 3.500 . 3.500 3.035 2.982 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 82 VAL H 1 83 PHE H 3.500 . 3.500 2.831 2.741 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 83 PHE H 1 84 ALA H 3.500 . 3.500 2.730 2.653 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 84 ALA H 1 85 TYR H 3.500 . 3.500 2.605 2.519 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 85 TYR H 1 86 ALA H 3.500 . 3.500 2.872 2.793 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 86 ALA H 1 87 LYS H 3.500 . 3.500 2.944 2.867 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 87 LYS H 1 88 GLN H 3.500 . 3.500 2.557 2.456 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 88 GLN H 1 89 HIS H 3.500 . 3.500 2.684 2.625 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 91 ASP H 1 92 GLN H 3.500 . 3.500 2.453 2.152 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 92 GLN H 1 93 GLU H 5.500 . 5.500 4.470 4.391 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 97 ALA H 1 98 GLY H 5.500 . 5.500 2.020 1.907 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 99 GLY H 1 100 ALA H 4.500 . 4.500 4.263 4.076 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 100 ALA H 1 101 GLN H 3.500 . 3.500 2.710 2.601 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 101 GLN H 1 102 ILE H 3.500 . 3.500 2.595 2.442 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 102 ILE H 1 103 PHE H 3.500 . 3.500 2.568 2.361 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 103 PHE H 1 104 THR H 3.500 . 3.500 2.627 2.438 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 104 THR H 1 105 ALA H 3.500 . 3.500 2.829 2.565 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 105 ALA H 1 106 PHE H 3.500 . 3.500 3.008 2.884 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 107 LYS H 1 108 ASP H 3.500 . 3.500 2.860 2.783 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 108 ASP H 1 109 ASP H 3.500 . 3.500 2.290 2.244 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 109 ASP H 1 110 VAL H 3.500 . 3.500 2.648 2.612 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 111 ASP H 1 112 THR H 3.500 . 3.500 1.964 1.918 2.013 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 115 VAL H 1 116 THR H 4.500 . 4.500 4.450 4.392 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 116 THR H 1 117 ARG H 4.500 . 4.500 4.002 3.945 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 118 LEU H 1 119 ALA H 5.500 . 5.500 4.614 4.555 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 119 ALA H 1 120 GLY H 3.500 . 3.500 2.464 2.281 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 120 GLY H 1 121 SER H 5.500 . 5.500 4.626 4.611 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 121 SER H 1 122 PHE H 4.500 . 4.500 4.363 4.286 4.509 0.009 13 0 "[ . 1 . 2 . 3]" 1
761 1 123 GLU H 1 124 GLY H 4.500 . 4.500 4.355 4.334 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 125 ASP H 1 126 THR H 3.500 . 3.500 2.164 1.914 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 126 THR H 1 127 LYS H 4.500 . 4.500 3.907 3.844 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 131 LEU H 1 132 ASN H 5.500 . 5.500 4.415 4.393 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 132 ASN H 1 133 TRP H 4.500 . 4.500 3.865 3.777 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 133 TRP H 1 134 ASP H 3.500 . 3.500 2.871 2.761 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 134 ASP H 1 135 ASP H 3.500 . 3.500 2.777 2.734 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 135 ASP H 1 136 PHE H 3.500 . 3.500 2.663 2.636 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 136 PHE H 1 137 THR H 5.500 . 5.500 4.363 4.353 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 137 THR H 1 138 LYS H 4.500 . 4.500 4.460 4.404 4.506 0.006 9 0 "[ . 1 . 2 . 3]" 1
771 1 138 LYS H 1 139 VAL H 5.500 . 5.500 4.466 4.331 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 139 VAL H 1 140 SER H 3.500 . 3.500 2.249 2.161 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 140 SER H 1 141 SER H 4.500 . 4.500 4.379 4.370 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 141 SER H 1 142 ARG H 4.500 . 4.500 4.080 4.040 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 142 ARG H 1 143 THR H 4.500 . 4.500 4.273 4.142 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 144 VAL H 1 145 GLU H 4.500 . 4.500 4.450 4.418 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 145 GLU H 1 146 ASP H 5.500 . 5.500 4.444 4.418 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 146 ASP H 1 147 THR H 4.500 . 4.500 4.398 4.375 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 147 THR H 1 148 ASN H 3.500 . 3.500 2.713 2.662 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 150 ALA H 1 151 LEU H 3.500 . 3.500 2.429 2.354 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 151 LEU H 1 152 THR H 3.500 . 3.500 2.631 2.591 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 152 THR H 1 153 HIS H 4.500 . 4.500 4.463 4.419 4.503 0.003 10 0 "[ . 1 . 2 . 3]" 1
783 1 155 TYR H 1 156 GLU H 5.500 . 5.500 4.451 4.318 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 160 LYS H 1 161 LYS H 5.500 . 5.500 4.607 4.586 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 161 LYS H 1 162 ALA H 5.500 . 5.500 4.591 4.509 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 2 ALA HA 1 3 PHE H 2.500 . 2.500 2.255 2.205 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 3 PHE HA 1 4 LEU H 3.500 . 3.500 2.173 2.145 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 4 LEU HA 1 5 TRP H 3.500 . 3.500 2.153 2.144 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 5 TRP HA 1 6 ALA H 3.500 . 3.500 2.358 2.324 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 6 ALA HA 1 7 GLN H 3.500 . 3.500 2.263 2.227 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 7 GLN HA 1 8 ASP H 3.500 . 3.500 2.356 2.277 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 8 ASP HA 1 9 ARG H 3.500 . 3.500 2.746 2.561 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 9 ARG HA 1 10 ASP H 3.500 . 3.500 3.474 3.325 3.506 0.006 22 0 "[ . 1 . 2 . 3]" 1
794 1 10 ASP HA 1 11 GLY H 3.500 . 3.500 3.357 3.215 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 11 GLY QA 1 12 LEU H 3.500 . 3.500 2.921 2.880 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 12 LEU HA 1 13 ILE H 3.500 . 3.500 2.527 2.439 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 13 ILE HA 1 14 GLY H 4.500 . 4.500 3.505 3.489 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 14 GLY QA 1 15 LYS H 3.500 . 3.500 2.253 2.202 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 16 ASP HA 1 17 GLY H 3.500 . 3.500 2.779 2.236 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 17 GLY QA 1 18 HIS H 4.500 . 4.500 2.516 2.146 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 18 HIS HA 1 19 LEU H 3.500 . 3.500 2.757 2.669 3.535 0.035 3 0 "[ . 1 . 2 . 3]" 1
802 1 20 PRO HA 1 21 TRP H 4.500 . 4.500 3.354 2.984 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 21 TRP HA 1 22 HIS H 3.500 . 3.500 2.261 2.183 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 22 HIS HA 1 23 LEU H 3.500 . 3.500 2.233 2.162 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 24 PRO HA 1 25 ASP H 4.500 . 4.500 3.542 3.461 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 26 ASP HA 1 27 LEU H 4.500 . 4.500 3.561 3.525 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 27 LEU HA 1 28 HIS H 4.500 . 4.500 3.561 3.536 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 30 PHE HA 1 31 ARG H 4.500 . 4.500 3.566 3.550 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 32 ALA HA 1 33 GLN H 4.500 . 4.500 3.500 3.449 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 33 GLN HA 1 34 THR H 4.500 . 4.500 3.486 3.465 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 34 THR HA 1 35 VAL H 4.500 . 4.500 2.884 2.711 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 35 VAL HA 1 36 GLY H 3.500 . 3.500 2.195 2.135 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 36 GLY QA 1 37 LYS H 3.500 . 3.500 2.862 2.817 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 38 ILE HA 1 39 MET H 3.500 . 3.500 2.149 2.120 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 39 MET HA 1 40 VAL H 3.500 . 3.500 2.158 2.137 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 40 VAL HA 1 41 VAL H 3.500 . 3.500 2.169 2.140 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 41 VAL HA 1 42 GLY H 3.500 . 3.500 2.271 2.217 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 42 GLY QA 1 43 ARG H 3.500 . 3.500 2.277 2.253 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 43 ARG HA 1 44 ARG H 4.500 . 4.500 3.567 3.560 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 45 THR HA 1 46 TYR H 4.500 . 4.500 3.590 3.577 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 47 GLU HA 1 48 SER H 4.500 . 4.500 3.434 3.387 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 48 SER HA 1 49 PHE H 4.500 . 4.500 3.059 2.890 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 50 PRO HA 1 51 LYS H 4.500 . 4.500 3.486 3.424 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 51 LYS HA 1 52 ARG H 2.500 . 2.500 2.362 2.216 2.504 0.004 27 0 "[ . 1 . 2 . 3]" 1
825 1 53 PRO HA 1 54 LEU H 3.500 . 3.500 2.339 2.267 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 55 PRO HA 1 56 GLU H 5.500 . 5.500 2.224 2.118 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 56 GLU HA 1 57 ARG H 3.500 . 3.500 2.967 2.953 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 57 ARG HA 1 58 THR H 3.500 . 3.500 2.420 2.340 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 58 THR HA 1 59 ASN H 3.500 . 3.500 2.149 2.131 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 59 ASN HA 1 60 VAL H 3.500 . 3.500 2.241 2.150 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 61 VAL HA 1 62 LEU H 2.500 . 2.500 2.198 2.141 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 62 LEU HA 1 63 THR H 2.500 . 2.500 2.184 2.152 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 64 HIS HA 1 65 GLN H 3.500 . 3.500 3.496 3.474 3.511 0.011 30 0 "[ . 1 . 2 . 3]" 1
834 1 65 GLN HA 1 66 GLU H 2.500 . 2.500 2.151 2.137 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 66 GLU HA 1 67 ASP H 4.500 . 4.500 3.502 3.490 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 67 ASP HA 1 68 TYR H 3.500 . 3.500 3.078 3.055 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 68 TYR HA 1 69 GLN H 2.500 . 2.500 2.230 2.170 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 69 GLN HA 1 70 ALA H 2.500 . 2.500 2.147 2.126 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 70 ALA HA 1 71 GLN H 2.500 . 2.500 2.192 2.148 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 71 GLN HA 1 72 GLY H 2.500 . 2.500 2.144 2.139 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 72 GLY QA 1 73 ALA H 3.500 . 3.500 2.855 2.811 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 73 ALA HA 1 74 VAL H 2.500 . 2.500 2.464 2.431 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 74 VAL HA 1 75 VAL H 2.500 . 2.500 2.221 2.178 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 75 VAL HA 1 76 VAL H 2.500 . 2.500 2.148 2.117 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 76 VAL HA 1 77 HIS H 3.500 . 3.500 2.412 2.219 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 77 HIS HA 1 78 ASP H 3.500 . 3.500 3.216 2.569 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 78 ASP HA 1 79 VAL H 3.500 . 3.500 2.321 2.245 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 79 VAL HA 1 80 ALA H 3.500 . 3.500 3.517 3.507 3.532 0.032 3 0 "[ . 1 . 2 . 3]" 1
849 1 81 ALA HA 1 82 VAL H 4.500 . 4.500 3.571 3.561 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 82 VAL HA 1 83 PHE H 4.500 . 4.500 3.526 3.475 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 85 TYR HA 1 86 ALA H 4.500 . 4.500 3.582 3.573 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 86 ALA HA 1 87 LYS H 4.500 . 4.500 3.521 3.476 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 88 GLN HA 1 89 HIS H 4.500 . 4.500 3.433 3.411 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 91 ASP HA 1 92 GLN H 3.500 . 3.500 3.315 3.201 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 92 GLN HA 1 93 GLU H 3.500 . 3.500 2.394 2.169 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 93 GLU HA 1 94 LEU H 3.500 . 3.500 2.365 2.284 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 94 LEU HA 1 95 VAL H 3.500 . 3.500 2.152 2.140 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 95 VAL HA 1 96 ILE H 3.500 . 3.500 2.161 2.139 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 96 ILE HA 1 97 ALA H 3.500 . 3.500 2.162 2.136 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 97 ALA HA 1 98 GLY H 3.500 . 3.500 3.472 3.404 3.514 0.014 17 0 "[ . 1 . 2 . 3]" 1
861 1 99 GLY QA 1 100 ALA H 3.500 . 3.500 2.199 2.155 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 100 ALA HA 1 101 GLN H 4.500 . 4.500 3.532 3.486 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 102 ILE HA 1 103 PHE H 4.500 . 4.500 3.522 3.460 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 102 ILE H 1 103 PHE HA 5.500 . 5.500 5.188 5.001 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 103 PHE HA 1 104 THR H 4.500 . 4.500 3.515 3.469 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 105 ALA HA 1 106 PHE H 4.500 . 4.500 3.595 3.582 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 107 LYS HA 1 108 ASP H 4.500 . 4.500 3.505 3.481 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 110 VAL HA 1 111 ASP H 3.500 . 3.500 2.338 2.233 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 112 THR HA 1 113 LEU H 3.500 . 3.500 2.348 2.319 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 113 LEU HA 1 114 LEU H 3.500 . 3.500 2.148 2.128 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 114 LEU HA 1 115 VAL H 2.500 . 2.500 2.166 2.153 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 115 VAL HA 1 116 THR H 3.500 . 3.500 2.219 2.170 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 116 THR HA 1 117 ARG H 3.500 . 3.500 2.206 2.198 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 119 ALA HA 1 120 GLY H 4.500 . 4.500 3.540 3.510 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 120 GLY QA 1 121 SER H 3.500 . 3.500 2.172 2.155 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 121 SER HA 1 122 PHE H 3.500 . 3.500 2.148 2.139 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 122 PHE HA 1 123 GLU H 3.500 . 3.500 2.397 2.343 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 123 GLU HA 1 124 GLY H 2.500 . 2.500 2.206 2.175 2.521 0.021 30 0 "[ . 1 . 2 . 3]" 1
879 1 124 GLY QA 1 125 ASP H 3.500 . 3.500 2.144 2.111 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 125 ASP HA 1 126 THR H 4.500 . 4.500 3.021 2.917 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 127 LYS HA 1 128 MET H 3.500 . 3.500 2.425 2.353 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 128 MET HA 1 129 ILE H 2.500 . 2.500 2.389 2.226 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 130 PRO HA 1 131 LEU H 2.500 . 2.500 2.218 2.151 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 131 LEU HA 1 132 ASN H 3.500 . 3.500 2.334 2.265 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 132 ASN HA 1 133 TRP H 3.500 . 3.500 2.347 2.291 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 136 PHE HA 1 137 THR H 3.500 . 3.500 2.153 2.146 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 137 THR HA 1 138 LYS H 2.500 . 2.500 2.192 2.146 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 138 LYS HA 1 139 VAL H 3.500 . 3.500 2.131 2.120 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 139 VAL HA 1 140 SER H 4.500 . 4.500 3.502 3.492 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 140 SER HA 1 141 SER H 2.500 . 2.500 2.348 2.243 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 141 SER HA 1 142 ARG H 3.500 . 3.500 2.146 2.139 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 143 THR HA 1 144 VAL H 3.500 . 3.500 2.146 2.133 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 144 VAL HA 1 145 GLU H 2.500 . 2.500 2.169 2.148 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 145 GLU HA 1 146 ASP H 2.500 . 2.500 2.221 2.181 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 146 ASP HA 1 147 THR H 3.500 . 3.500 2.687 2.627 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 147 THR HA 1 148 ASN H 4.500 . 4.500 3.535 3.522 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 149 PRO HA 1 150 ALA H 4.500 . 4.500 3.505 3.479 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 150 ALA HA 1 151 LEU H 3.500 . 3.500 3.417 3.402 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 152 THR HA 1 153 HIS H 3.500 . 3.500 2.149 2.140 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 153 HIS HA 1 154 THR H 3.500 . 3.500 2.398 2.286 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 154 THR HA 1 155 TYR H 3.500 . 3.500 2.142 2.137 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 155 TYR HA 1 156 GLU H 3.500 . 3.500 2.162 2.143 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 156 GLU HA 1 157 VAL H 2.500 . 2.500 2.195 2.153 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 157 VAL HA 1 158 TRP H 3.500 . 3.500 2.227 2.210 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 158 TRP HA 1 159 GLN H 3.500 . 3.500 2.171 2.156 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 159 GLN HA 1 160 LYS H 3.500 . 3.500 2.173 2.154 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 160 LYS HA 1 161 LYS H 3.500 . 3.500 2.203 2.170 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 2 ALA MB 1 3 PHE H 3.500 . 3.500 2.757 2.468 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 3 PHE QB 1 4 LEU H 3.500 . 3.500 3.268 3.049 3.507 0.007 10 0 "[ . 1 . 2 . 3]" 1
910 1 4 LEU QB 1 5 TRP H 4.500 . 4.500 3.884 3.862 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 5 TRP HB2 1 6 ALA H 3.500 . 3.500 2.671 2.570 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 5 TRP HB3 1 6 ALA H 4.500 . 4.500 4.003 3.939 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 6 ALA MB 1 7 GLN H 3.500 . 3.500 2.786 2.648 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 7 GLN QB 1 8 ASP H 3.500 . 3.500 2.477 2.272 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 8 ASP QB 1 9 ARG H 3.500 . 3.500 1.964 1.847 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 10 ASP HB3 1 11 GLY H 4.500 . 4.500 3.673 2.706 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 10 ASP HB2 1 11 GLY H 4.500 . 4.500 3.494 2.638 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 12 LEU HB3 1 13 ILE H 4.500 . 4.500 3.031 2.788 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 12 LEU HB2 1 13 ILE H 4.500 . 4.500 3.821 3.712 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 15 LYS QB 1 16 ASP H 4.500 . 4.500 3.962 3.660 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 18 HIS QB 1 19 LEU H 3.500 . 3.500 1.980 1.883 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 21 TRP HB3 1 22 HIS H 4.500 . 4.500 3.836 3.383 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 21 TRP HB2 1 22 HIS H 3.500 . 3.500 2.825 1.980 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 22 HIS QB 1 23 LEU H 4.500 . 4.500 3.915 3.680 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 24 PRO QB 1 25 ASP H 4.500 . 4.500 2.812 2.326 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 26 ASP QB 1 27 LEU H 3.500 . 3.500 2.376 2.143 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 27 LEU HB3 1 28 HIS H 4.500 . 4.500 3.696 3.343 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 27 LEU HB2 1 28 HIS H 3.500 . 3.500 2.684 2.070 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 31 ARG HB3 1 32 ALA H 3.500 . 3.500 3.115 2.777 3.505 0.005 21 0 "[ . 1 . 2 . 3]" 1
930 1 31 ARG HB2 1 32 ALA H 4.500 . 4.500 3.577 2.780 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 32 ALA MB 1 33 GLN H 3.500 . 3.500 2.779 2.582 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 34 THR HB 1 35 VAL H 5.500 . 5.500 4.448 4.346 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 35 VAL HB 1 36 GLY H 5.500 . 5.500 4.311 3.597 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 39 MET QB 1 40 VAL H 4.500 . 4.500 3.675 2.904 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 40 VAL HB 1 41 VAL H 4.500 . 4.500 4.081 3.830 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 41 VAL HB 1 42 GLY H 4.500 . 4.500 4.200 3.992 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 44 ARG QB 1 45 THR H 3.500 . 3.500 3.046 2.943 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 45 THR HB 1 46 TYR H 4.500 . 4.500 2.409 2.301 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 46 TYR QB 1 47 GLU H 4.500 . 4.500 3.461 3.408 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 47 GLU HB2 1 48 SER H 3.500 . 3.500 3.448 3.241 3.531 0.031 6 0 "[ . 1 . 2 . 3]" 1
941 1 47 GLU HB3 1 48 SER H 4.500 . 4.500 3.572 3.247 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 50 PRO QB 1 51 LYS H 4.500 . 4.500 3.215 2.877 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 51 LYS QB 1 52 ARG H 4.500 . 4.500 3.933 3.767 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 53 PRO HB2 1 54 LEU H 3.500 . 3.500 2.847 2.480 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 53 PRO HB3 1 54 LEU H 4.500 . 4.500 3.529 2.992 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 55 PRO HB3 1 56 GLU H 4.500 . 4.500 3.407 2.950 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 55 PRO HB2 1 56 GLU H 4.500 . 4.500 3.191 2.937 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 56 GLU HB2 1 57 ARG H 4.500 . 4.500 4.263 4.089 4.502 0.002 6 0 "[ . 1 . 2 . 3]" 1
949 1 56 GLU HB3 1 57 ARG H 4.500 . 4.500 4.244 4.080 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 57 ARG QB 1 58 THR H 3.500 . 3.500 2.497 2.185 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 59 ASN QB 1 60 VAL H 4.500 . 4.500 2.749 2.542 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 61 VAL HB 1 62 LEU H 4.500 . 4.500 4.006 3.654 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 62 LEU HB2 1 63 THR H 5.500 . 5.500 4.550 4.484 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 62 LEU HB3 1 63 THR H 4.500 . 4.500 4.333 4.289 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 63 THR HB 1 64 HIS H 4.500 . 4.500 4.013 3.730 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 64 HIS QB 1 65 GLN H 4.500 . 4.500 2.823 2.690 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 66 GLU HB2 1 67 ASP H 4.500 . 4.500 3.674 2.699 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 66 GLU HB3 1 67 ASP H 4.500 . 4.500 4.018 3.830 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 68 TYR QB 1 69 GLN H 4.500 . 4.500 3.571 3.431 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 69 GLN HB2 1 70 ALA H 4.500 . 4.500 4.314 3.690 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 69 GLN HB3 1 70 ALA H 4.500 . 4.500 3.720 3.519 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 70 ALA MB 1 71 GLN H 4.500 . 4.500 3.502 3.406 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 71 GLN QB 1 72 GLY H 4.500 . 4.500 3.262 3.049 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 72 GLY H 1 73 ALA MB 5.500 . 5.500 4.796 4.691 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 73 ALA MB 1 74 VAL H 3.500 . 3.500 2.315 2.220 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 74 VAL HB 1 75 VAL H 4.500 . 4.500 3.713 2.870 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 76 VAL HB 1 77 HIS H 3.500 . 3.500 2.485 2.144 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 77 HIS HB2 1 78 ASP H 4.500 . 4.500 3.612 3.328 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 77 HIS HB3 1 78 ASP H 5.500 . 5.500 4.451 4.383 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 78 ASP HB3 1 79 VAL H 4.500 . 4.500 2.889 2.412 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 78 ASP HB2 1 79 VAL H 5.500 . 5.500 4.033 3.584 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 79 VAL HB 1 80 ALA H 3.500 . 3.500 3.261 2.403 3.504 0.004 16 0 "[ . 1 . 2 . 3]" 1
973 1 80 ALA MB 1 81 ALA H 3.500 . 3.500 2.681 2.472 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 81 ALA MB 1 82 VAL H 3.500 . 3.500 2.119 1.974 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 81 ALA H 1 82 VAL HB 5.500 . 5.500 5.145 5.051 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 82 VAL HB 1 83 PHE H 4.500 . 4.500 3.820 3.728 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 83 PHE HB2 1 84 ALA H 3.500 . 3.500 2.900 2.675 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 83 PHE HB3 1 84 ALA H 4.500 . 4.500 3.237 2.929 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 83 PHE H 1 84 ALA MB 4.500 . 4.500 4.385 4.282 4.504 0.004 6 0 "[ . 1 . 2 . 3]" 1
980 1 84 ALA MB 1 85 TYR H 3.500 . 3.500 2.594 2.440 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 85 TYR HB3 1 86 ALA H 3.500 . 3.500 2.995 2.839 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 85 TYR HB2 1 86 ALA H 4.500 . 4.500 3.843 3.827 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 86 ALA MB 1 87 LYS H 3.500 . 3.500 2.752 2.590 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 88 GLN QB 1 89 HIS H 3.500 . 3.500 3.033 2.905 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 88 GLN H 1 89 HIS QB 4.500 . 4.500 4.505 4.458 4.516 0.016 10 0 "[ . 1 . 2 . 3]" 1
986 1 90 PRO HB3 1 91 ASP H 5.500 . 5.500 4.275 3.960 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 90 PRO HB2 1 91 ASP H 4.500 . 4.500 3.536 2.594 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 91 ASP QB 1 92 GLN H 3.500 . 3.500 3.319 3.022 3.509 0.009 23 0 "[ . 1 . 2 . 3]" 1
989 1 93 GLU HB3 1 94 LEU H 3.500 . 3.500 2.902 2.481 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 93 GLU HB2 1 94 LEU H 4.500 . 4.500 3.965 3.618 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 97 ALA MB 1 98 GLY H 4.500 . 4.500 2.903 2.702 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 100 ALA MB 1 101 GLN H 3.500 . 3.500 2.645 2.313 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 101 GLN HB2 1 102 ILE H 3.500 . 3.500 3.259 2.804 3.501 0.001 1 0 "[ . 1 . 2 . 3]" 1
994 1 101 GLN HB3 1 102 ILE H 4.500 . 4.500 3.124 2.854 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 102 ILE HB 1 103 PHE H 4.500 . 4.500 2.660 2.379 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 103 PHE QB 1 104 THR H 3.500 . 3.500 2.668 2.403 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 104 THR HB 1 105 ALA H 3.500 . 3.500 2.375 2.226 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 104 THR H 1 105 ALA MB 4.500 . 4.500 4.404 4.131 4.503 0.003 29 0 "[ . 1 . 2 . 3]" 1
999 1 105 ALA MB 1 106 PHE H 3.500 . 3.500 2.295 2.185 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 106 PHE QB 1 107 LYS H 4.500 . 4.500 3.183 3.165 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 107 LYS HB2 1 108 ASP H 5.500 . 5.500 4.067 3.897 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 107 LYS HB3 1 108 ASP H 5.500 . 5.500 3.646 3.577 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 113 LEU QB 1 114 LEU H 4.500 . 4.500 3.585 3.324 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 119 ALA MB 1 120 GLY H 3.500 . 3.500 2.611 2.384 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 121 SER QB 1 122 PHE H 3.500 . 3.500 3.471 3.168 3.505 0.005 26 0 "[ . 1 . 2 . 3]" 1
1006 1 122 PHE HB2 1 123 GLU H 4.500 . 4.500 3.597 3.501 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 122 PHE HB3 1 123 GLU H 3.500 . 3.500 2.438 2.386 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 123 GLU HB2 1 124 GLY H 3.500 . 3.500 3.028 2.017 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 123 GLU HB3 1 124 GLY H 4.500 . 4.500 4.099 3.454 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 130 PRO HB2 1 131 LEU H 4.500 . 4.500 3.494 3.000 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 130 PRO HB3 1 131 LEU H 4.500 . 4.500 3.472 3.131 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 131 LEU HB3 1 132 ASN H 3.500 . 3.500 2.810 2.616 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 131 LEU HB2 1 132 ASN H 4.500 . 4.500 3.279 2.905 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 132 ASN QB 1 133 TRP H 4.500 . 4.500 3.964 3.922 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 133 TRP HB3 1 134 ASP H 4.500 . 4.500 3.711 3.569 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 133 TRP HB2 1 134 ASP H 3.500 . 3.500 2.745 2.608 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 134 ASP QB 1 135 ASP H 4.500 . 4.500 2.633 2.499 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 135 ASP HB3 1 136 PHE H 4.500 . 4.500 3.883 3.543 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 135 ASP HB2 1 136 PHE H 4.500 . 4.500 3.800 3.603 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 136 PHE HB2 1 137 THR H 4.500 . 4.500 4.233 4.139 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 136 PHE HB3 1 137 THR H 3.500 . 3.500 3.188 3.137 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 137 THR HB 1 138 LYS H 4.500 . 4.500 4.107 3.902 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 138 LYS QB 1 139 VAL H 5.500 . 5.500 3.799 3.713 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 139 VAL HB 1 140 SER H 4.500 . 4.500 3.118 2.816 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 140 SER HB3 1 141 SER H 3.500 . 3.500 2.911 2.384 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 140 SER HB2 1 141 SER H 4.500 . 4.500 3.922 3.159 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 141 SER QB 1 142 ARG H 4.500 . 4.500 3.365 3.003 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 142 ARG HB2 1 143 THR H 4.500 . 4.500 4.249 4.017 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 142 ARG HB3 1 143 THR H 4.500 . 4.500 4.018 3.699 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 143 THR HB 1 144 VAL H 4.500 . 4.500 4.231 3.997 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 144 VAL HB 1 145 GLU H 4.500 . 4.500 3.891 3.220 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 145 GLU QB 1 146 ASP H 3.500 . 3.500 2.809 2.791 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 146 ASP QB 1 147 THR H 4.500 . 4.500 1.948 1.876 2.033 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 147 THR HB 1 148 ASN H 4.500 . 4.500 3.503 3.199 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 149 PRO QB 1 150 ALA H 3.500 . 3.500 3.026 2.619 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 150 ALA MB 1 151 LEU H 3.500 . 3.500 3.077 2.966 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 151 LEU HB3 1 152 THR H 4.500 . 4.500 4.265 4.134 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 151 LEU HB2 1 152 THR H 4.500 . 4.500 3.782 3.683 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 153 HIS HB2 1 154 THR H 3.500 . 3.500 3.132 2.848 3.503 0.003 4 0 "[ . 1 . 2 . 3]" 1
1040 1 153 HIS HB3 1 154 THR H 4.500 . 4.500 2.664 2.529 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 155 TYR QB 1 156 GLU H 4.500 . 4.500 3.342 2.960 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 156 GLU QB 1 157 VAL H 4.500 . 4.500 2.909 2.783 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 157 VAL HB 1 158 TRP H 4.500 . 4.500 3.679 3.559 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 158 TRP HB3 1 159 GLN H 3.500 . 3.500 3.045 2.991 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 158 TRP HB2 1 159 GLN H 4.500 . 4.500 4.027 3.882 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 159 GLN HB3 1 160 LYS H 3.500 . 3.500 3.405 3.232 3.506 0.006 4 0 "[ . 1 . 2 . 3]" 1
1047 1 159 GLN HB2 1 160 LYS H 4.500 . 4.500 4.392 4.180 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 161 LYS HB3 1 162 ALA H 3.500 . 3.500 3.125 2.871 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 161 LYS HB2 1 162 ALA H 4.500 . 4.500 4.167 3.821 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 1 THR MG 1 2 ALA H 4.500 . 4.500 3.888 2.826 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 3 PHE QD 1 4 LEU H 5.500 . 5.500 4.196 3.594 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 4 LEU HG 1 5 TRP H 4.500 . 4.500 3.552 3.353 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 4 LEU H 1 5 TRP HE3 4.500 . 4.500 3.364 3.127 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 4 LEU MD1 1 5 TRP H 3.500 . 3.500 2.631 2.398 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 5 TRP HD1 1 6 ALA H 4.500 . 4.500 3.131 3.047 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 6 ALA HA 1 7 GLN HE21 3.500 . 3.500 2.460 2.280 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 7 GLN QG 1 8 ASP H 4.500 . 4.500 3.817 3.565 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 9 ARG QG 1 10 ASP H 5.500 . 5.500 4.426 2.425 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 12 LEU MD2 1 13 ILE H 5.500 . 5.500 3.468 2.141 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 13 ILE MG 1 14 GLY H 4.500 . 4.500 3.837 3.649 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 13 ILE MD 1 14 GLY H 4.500 . 4.500 3.667 3.525 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 13 ILE QG 1 14 GLY H 4.500 . 4.500 1.934 1.850 2.139 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 15 LYS QD 1 16 ASP H 5.500 . 5.500 5.107 3.789 5.505 0.005 9 0 "[ . 1 . 2 . 3]" 1
1064 1 15 LYS QE 1 16 ASP H 5.500 . 5.500 5.241 3.880 5.510 0.010 22 0 "[ . 1 . 2 . 3]" 1
1065 1 19 LEU HA 1 20 PRO QD 3.500 . 3.500 1.974 1.861 1.994 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 20 PRO QD 1 21 TRP HD1 5.500 . 5.500 5.210 4.725 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 20 PRO QD 1 21 TRP H 4.500 . 4.500 2.624 2.234 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 21 TRP HD1 1 22 HIS H 4.500 . 4.500 4.231 3.513 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 23 LEU MD1 1 24 PRO QD 4.500 . 4.500 3.786 3.482 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 23 LEU HA 1 24 PRO QD 3.500 . 3.500 2.014 1.873 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 24 PRO QD 1 25 ASP H 3.500 . 3.500 2.693 2.389 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 24 PRO QG 1 25 ASP H 4.500 . 4.500 3.061 2.069 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 27 LEU MD1 1 28 HIS H 3.500 . 3.500 2.999 2.034 3.508 0.008 10 0 "[ . 1 . 2 . 3]" 1
1074 1 33 GLN HB3 1 34 THR MG 3.500 . 3.500 3.310 2.997 3.502 0.002 13 0 "[ . 1 . 2 . 3]" 1
1075 1 33 GLN HG2 1 34 THR H 5.500 . 5.500 4.973 4.763 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 34 THR H 1 35 VAL QG 4.500 . 4.500 3.456 3.140 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 35 VAL QG 1 36 GLY H 3.500 . 3.500 3.125 2.778 3.503 0.003 19 0 "[ . 1 . 2 . 3]" 1
1078 1 38 ILE MG 1 39 MET H 4.500 . 4.500 2.990 2.091 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 40 VAL QG 1 41 VAL H 3.500 . 3.500 2.432 2.076 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 40 VAL HA 1 41 VAL MG1 4.500 . 4.500 4.415 4.094 4.510 0.010 5 0 "[ . 1 . 2 . 3]" 1
1081 1 41 VAL MG1 1 42 GLY H 4.500 . 4.500 3.134 2.622 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 41 VAL MG2 1 42 GLY H 3.500 . 3.500 2.245 1.964 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 43 ARG HB3 1 44 ARG HE 4.500 . 4.500 3.856 2.329 4.503 0.003 6 0 "[ . 1 . 2 . 3]" 1
1084 1 44 ARG H 1 45 THR HG1 4.500 . 4.500 4.176 3.884 4.504 0.004 27 0 "[ . 1 . 2 . 3]" 1
1085 1 45 THR HG1 1 46 TYR H 4.500 . 4.500 3.875 3.477 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 45 THR HB 1 46 TYR QD 5.500 . 5.500 4.915 4.766 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 46 TYR QD 1 47 GLU H 4.500 . 4.500 2.683 2.558 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 49 PHE H 1 50 PRO QD 5.500 . 5.500 4.279 4.002 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 49 PHE HA 1 50 PRO QD 3.500 . 3.500 1.952 1.821 2.063 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 49 PHE QD 1 50 PRO QD 3.500 . 3.500 3.069 2.770 3.503 0.003 16 0 "[ . 1 . 2 . 3]" 1
1091 1 50 PRO QD 1 51 LYS H 4.500 . 4.500 2.519 2.260 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 51 LYS H 1 52 ARG HG2 4.500 . 4.500 4.410 4.137 4.510 0.010 7 0 "[ . 1 . 2 . 3]" 1
1093 1 51 LYS QD 1 52 ARG H 4.500 . 4.500 4.179 3.183 4.502 0.002 26 0 "[ . 1 . 2 . 3]" 1
1094 1 54 LEU MD2 1 55 PRO QD 4.500 . 4.500 2.582 2.060 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 54 LEU HA 1 55 PRO QD 2.500 . 2.500 1.916 1.787 2.092 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 57 ARG HE 1 58 THR H 2.500 . 2.500 2.047 1.963 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 57 ARG QG 1 58 THR H 4.500 . 4.500 3.777 3.243 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 58 THR MG 1 59 ASN H 3.500 . 3.500 2.892 2.479 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 58 THR HA 1 59 ASN HD21 4.500 . 4.500 3.480 2.957 4.503 0.003 3 0 "[ . 1 . 2 . 3]" 1
1100 1 59 ASN HA 1 60 VAL MG1 5.500 . 5.500 5.422 5.388 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 60 VAL MG1 1 61 VAL H 4.500 . 4.500 2.370 2.213 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 60 VAL MG2 1 61 VAL H 4.500 . 4.500 3.952 3.833 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 61 VAL MG2 1 62 LEU HA 5.500 . 5.500 5.494 5.449 5.514 0.014 22 0 "[ . 1 . 2 . 3]" 1
1104 1 61 VAL MG1 1 62 LEU H 2.500 . 2.500 2.128 1.914 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 61 VAL MG2 1 62 LEU H 4.500 . 4.500 3.877 3.767 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 62 LEU MD2 1 63 THR H 5.500 . 5.500 4.952 4.636 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 62 LEU MD1 1 63 THR H 5.500 . 5.500 3.622 2.899 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 62 LEU HA 1 63 THR MG 4.500 . 4.500 3.954 3.556 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 63 THR MG 1 64 HIS H 4.500 . 4.500 3.790 3.556 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 65 GLN HG2 1 66 GLU H 4.500 . 4.500 4.153 3.908 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 65 GLN HG3 1 66 GLU H 5.500 . 5.500 4.361 4.071 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 66 GLU HG3 1 67 ASP H 4.500 . 4.500 3.021 1.942 4.503 0.003 22 0 "[ . 1 . 2 . 3]" 1
1113 1 66 GLU HG2 1 67 ASP H 4.500 . 4.500 2.631 1.928 4.504 0.004 8 0 "[ . 1 . 2 . 3]" 1
1114 1 68 TYR QD 1 69 GLN H 3.500 . 3.500 3.158 2.582 3.503 0.003 8 0 "[ . 1 . 2 . 3]" 1
1115 1 68 TYR QE 1 69 GLN H 4.500 . 4.500 4.064 3.629 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 71 GLN QG 1 72 GLY H 4.500 . 4.500 4.133 3.687 4.512 0.012 25 0 "[ . 1 . 2 . 3]" 1
1117 1 73 ALA HA 1 74 VAL MG2 4.500 . 4.500 3.434 3.335 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 74 VAL MG2 1 75 VAL H 4.500 . 4.500 4.114 3.991 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 74 VAL MG1 1 75 VAL H 3.500 . 3.500 2.356 1.977 3.507 0.007 25 0 "[ . 1 . 2 . 3]" 1
1120 1 75 VAL MG1 1 76 VAL H 3.500 . 3.500 2.371 2.116 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 75 VAL MG2 1 76 VAL H 4.500 . 4.500 4.015 3.918 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 76 VAL MG2 1 77 HIS H 4.500 . 4.500 3.486 3.094 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 76 VAL MG1 1 77 HIS H 4.500 . 4.500 3.694 3.484 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 77 HIS HA 1 78 ASP HA 4.500 . 4.500 4.442 4.273 4.514 0.014 15 0 "[ . 1 . 2 . 3]" 1
1125 1 78 ASP HA 1 79 VAL QG 3.500 . 3.500 3.449 3.337 3.505 0.005 18 0 "[ . 1 . 2 . 3]" 1
1126 1 79 VAL QG 1 80 ALA MB 4.500 . 4.500 3.160 2.864 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 79 VAL QG 1 80 ALA H 3.500 . 3.500 2.085 1.858 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 81 ALA H 1 82 VAL MG1 4.500 . 4.500 4.283 4.032 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 82 VAL MG1 1 83 PHE H 3.500 . 3.500 1.966 1.873 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 82 VAL MG2 1 83 PHE H 4.500 . 4.500 3.965 3.717 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 83 PHE HB3 1 84 ALA MB 5.500 . 5.500 4.416 4.119 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 83 PHE QD 1 84 ALA H 5.500 . 5.500 4.590 4.497 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 85 TYR QD 1 86 ALA H 3.500 . 3.500 2.690 2.126 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 86 ALA MB 1 87 LYS HA 4.500 . 4.500 3.834 3.770 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 87 LYS QD 1 88 GLN H 5.500 . 5.500 4.844 4.708 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 88 GLN QG 1 89 HIS H 4.500 . 4.500 4.397 4.117 4.512 0.012 6 0 "[ . 1 . 2 . 3]" 1
1137 1 89 HIS H 1 90 PRO QD 3.500 . 3.500 3.345 3.265 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 89 HIS HA 1 90 PRO QD 3.500 . 3.500 2.101 2.018 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 90 PRO QD 1 91 ASP H 4.500 . 4.500 2.645 2.267 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 90 PRO QG 1 91 ASP H 3.500 . 3.500 2.889 2.026 3.502 0.002 16 0 "[ . 1 . 2 . 3]" 1
1141 1 92 GLN QG 1 93 GLU H 4.500 . 4.500 3.638 2.451 4.502 0.002 11 0 "[ . 1 . 2 . 3]" 1
1142 1 94 LEU QD 1 95 VAL H 4.500 . 4.500 3.603 3.079 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 94 LEU HG 1 95 VAL H 4.500 . 4.500 3.409 2.805 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 95 VAL MG1 1 96 ILE H 4.500 . 4.500 2.656 2.029 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 96 ILE MG 1 97 ALA H 3.500 . 3.500 2.586 2.310 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 96 ILE MD 1 97 ALA H 4.500 . 4.500 4.024 3.784 4.509 0.009 10 0 "[ . 1 . 2 . 3]" 1
1147 1 96 ILE HA 1 97 ALA MB 4.500 . 4.500 3.945 3.875 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 101 GLN H 1 102 ILE MD 5.500 . 5.500 4.627 3.031 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 101 GLN QG 1 102 ILE H 5.500 . 5.500 4.560 4.452 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 101 GLN HE22 1 102 ILE MD 5.500 . 5.500 5.270 4.648 5.504 0.004 23 0 "[ . 1 . 2 . 3]" 1
1151 1 102 ILE MG 1 103 PHE QD 4.500 . 4.500 4.196 3.421 4.506 0.006 21 0 "[ . 1 . 2 . 3]" 1
1152 1 102 ILE MG 1 103 PHE H 4.500 . 4.500 3.625 3.356 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 104 THR MG 1 105 ALA H 3.500 . 3.500 3.404 3.132 3.506 0.006 5 0 "[ . 1 . 2 . 3]" 1
1154 1 105 ALA MB 1 106 PHE QE 3.500 . 3.500 3.392 3.214 3.503 0.003 26 0 "[ . 1 . 2 . 3]" 1
1155 1 105 ALA MB 1 106 PHE HA 4.500 . 4.500 3.726 3.676 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 105 ALA MB 1 106 PHE QD 3.500 . 3.500 2.581 2.249 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 107 LYS QG 1 108 ASP H 3.500 . 3.500 2.103 1.913 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 109 ASP H 1 110 VAL QG 4.500 . 4.500 3.956 3.911 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 110 VAL QG 1 111 ASP H 3.500 . 3.500 1.907 1.862 2.027 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 112 THR MG 1 113 LEU H 3.500 . 3.500 1.987 1.925 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 113 LEU MD1 1 114 LEU H 3.500 . 3.500 3.413 3.086 3.505 0.005 11 0 "[ . 1 . 2 . 3]" 1
1162 1 114 LEU MD2 1 115 VAL H 4.500 . 4.500 3.867 3.441 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 115 VAL MG1 1 116 THR H 4.500 . 4.500 3.773 3.676 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 115 VAL MG2 1 116 THR H 4.500 . 4.500 3.658 3.511 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 116 THR MG 1 117 ARG H 4.500 . 4.500 3.387 3.240 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 118 LEU MD2 1 119 ALA H 4.500 . 4.500 4.023 3.655 4.503 0.003 13 0 "[ . 1 . 2 . 3]" 1
1167 1 119 ALA MB 1 120 GLY QA 3.500 . 3.500 3.456 3.370 3.503 0.003 7 0 "[ . 1 . 2 . 3]" 1
1168 1 121 SER HA 1 122 PHE QD 3.500 . 3.500 3.235 2.747 3.506 0.006 14 0 "[ . 1 . 2 . 3]" 1
1169 1 122 PHE QD 1 123 GLU H 4.500 . 4.500 3.874 3.661 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 123 GLU HG3 1 124 GLY H 4.500 . 4.500 4.432 3.456 4.501 0.001 27 0 "[ . 1 . 2 . 3]" 1
1171 1 123 GLU HG2 1 124 GLY H 4.500 . 4.500 4.482 4.318 4.503 0.003 28 0 "[ . 1 . 2 . 3]" 1
1172 1 126 THR MG 1 127 LYS H 3.500 . 3.500 3.242 2.926 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 128 MET HG2 1 129 ILE H 4.500 . 4.500 3.549 3.485 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 128 MET ME 1 129 ILE H 4.500 . 4.500 2.715 1.886 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 128 MET ME 1 129 ILE MD 4.500 . 4.500 2.711 1.744 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 128 MET ME 1 129 ILE QG 4.500 . 4.500 2.200 1.833 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 128 MET HG3 1 129 ILE H 3.500 . 3.500 2.008 1.937 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 129 ILE HA 1 130 PRO QD 2.500 . 2.500 2.051 1.898 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 131 LEU MD2 1 132 ASN H 4.500 . 4.500 4.212 4.074 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 133 TRP HD1 1 134 ASP H 4.500 . 4.500 4.487 4.377 4.508 0.008 17 0 "[ . 1 . 2 . 3]" 1
1181 1 136 PHE QD 1 137 THR H 4.500 . 4.500 3.879 3.385 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 137 THR MG 1 138 LYS H 3.500 . 3.500 2.447 2.149 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 138 LYS QG 1 139 VAL H 3.500 . 3.500 2.818 2.647 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 138 LYS QD 1 139 VAL H 4.500 . 4.500 4.494 4.220 4.513 0.013 30 0 "[ . 1 . 2 . 3]" 1
1185 1 139 VAL QG 1 140 SER H 3.500 . 3.500 2.953 2.073 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 142 ARG HG2 1 143 THR H 4.500 . 4.500 3.593 2.415 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 142 ARG HG3 1 143 THR H 4.500 . 4.500 2.767 1.996 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 143 THR MG 1 144 VAL H 3.500 . 3.500 3.002 2.815 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 144 VAL QG 1 145 GLU H 3.500 . 3.500 2.659 2.261 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 145 GLU HG3 1 146 ASP H 4.500 . 4.500 4.500 4.364 4.507 0.007 16 0 "[ . 1 . 2 . 3]" 1
1191 1 146 ASP HA 1 147 THR MG 4.500 . 4.500 4.380 3.815 4.502 0.002 8 0 "[ . 1 . 2 . 3]" 1
1192 1 147 THR MG 1 148 ASN H 4.500 . 4.500 3.367 1.920 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 148 ASN HA 1 149 PRO QD 3.500 . 3.500 1.946 1.848 2.029 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 149 PRO QD 1 150 ALA H 3.500 . 3.500 2.672 2.464 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 149 PRO QD 1 150 ALA MB 4.500 . 4.500 3.868 3.629 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 149 PRO HG2 1 150 ALA H 4.500 . 4.500 3.238 2.339 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 149 PRO HG3 1 150 ALA H 4.500 . 4.500 4.260 3.892 4.524 0.024 17 0 "[ . 1 . 2 . 3]" 1
1198 1 150 ALA MB 1 151 LEU MD2 3.500 . 3.500 3.386 2.683 3.502 0.002 19 0 "[ . 1 . 2 . 3]" 1
1199 1 151 LEU MD2 1 152 THR H 4.500 . 4.500 4.494 4.201 4.510 0.010 26 0 "[ . 1 . 2 . 3]" 1
1200 1 152 THR MG 1 153 HIS H 3.500 . 3.500 2.847 2.639 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 154 THR MG 1 155 TYR H 4.500 . 4.500 2.859 2.668 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 155 TYR QD 1 156 GLU H 3.500 . 3.500 3.436 3.134 3.512 0.012 12 0 "[ . 1 . 2 . 3]" 1
1203 1 156 GLU HG2 1 157 VAL H 4.500 . 4.500 4.287 3.816 4.501 0.001 14 0 "[ . 1 . 2 . 3]" 1
1204 1 157 VAL QG 1 158 TRP H 3.500 . 3.500 2.037 1.835 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 158 TRP HE3 1 159 GLN H 4.500 . 4.500 4.216 3.852 4.511 0.011 4 0 "[ . 1 . 2 . 3]" 1
1206 1 161 LYS HG2 1 162 ALA H 4.500 . 4.500 4.022 3.060 4.501 0.001 14 0 "[ . 1 . 2 . 3]" 1
1207 1 16 ASP H 1 16 ASP HA 2.500 . 2.500 2.286 2.271 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 56 GLU H 1 56 GLU HA 2.500 . 2.500 2.269 2.257 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 98 GLY H 1 98 GLY QA 2.500 . 2.500 2.494 2.466 2.504 0.004 3 0 "[ . 1 . 2 . 3]" 1
1210 1 162 ALA H 1 162 ALA HA 2.500 . 2.500 2.275 2.274 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 2 ALA H 1 2 ALA MB 3.500 . 3.500 2.536 2.442 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 3 PHE H 1 3 PHE HB2 2.500 . 2.500 2.394 2.306 2.506 0.006 28 0 "[ . 1 . 2 . 3]" 1
1213 1 4 LEU H 1 4 LEU HB3 3.500 . 3.500 2.674 2.577 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 6 ALA H 1 6 ALA MB 3.500 . 3.500 2.310 2.199 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 7 GLN H 1 7 GLN HB3 3.500 . 3.500 3.456 3.357 3.502 0.002 6 0 "[ . 1 . 2 . 3]" 1
1216 1 8 ASP H 1 8 ASP HB3 3.500 . 3.500 2.865 2.671 3.517 0.017 7 0 "[ . 1 . 2 . 3]" 1
1217 1 10 ASP H 1 10 ASP HB2 3.500 . 3.500 2.336 2.135 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 2.888 2.570 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 18 HIS H 1 18 HIS HB3 3.500 . 3.500 3.500 3.457 3.531 0.031 3 0 "[ . 1 . 2 . 3]" 1
1220 1 21 TRP H 1 21 TRP HB3 3.500 . 3.500 2.998 2.809 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 22 HIS H 1 22 HIS HB3 3.500 . 3.500 3.002 2.547 3.506 0.006 27 0 "[ . 1 . 2 . 3]" 1
1222 1 22 HIS H 1 22 HIS HB2 3.500 . 3.500 2.354 2.136 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 23 LEU H 1 23 LEU HB3 3.500 . 3.500 3.340 3.176 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 23 LEU H 1 23 LEU HB2 3.500 . 3.500 2.316 2.128 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 25 ASP H 1 25 ASP HB3 3.500 . 3.500 2.714 2.397 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 25 ASP H 1 25 ASP HB2 3.500 . 3.500 3.509 2.652 3.543 0.043 15 0 "[ . 1 . 2 . 3]" 1
1227 1 26 ASP H 1 26 ASP QB 3.500 . 3.500 2.213 2.077 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 27 LEU H 1 27 LEU HB2 3.500 . 3.500 3.071 2.697 3.545 0.045 23 0 "[ . 1 . 2 . 3]" 1
1229 1 28 HIS H 1 28 HIS HB2 3.500 . 3.500 2.235 2.072 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 30 PHE H 1 30 PHE HB3 3.500 . 3.500 2.934 2.362 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 32 ALA H 1 32 ALA MB 3.500 . 3.500 2.174 2.057 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 33 GLN H 1 33 GLN HB2 3.500 . 3.500 2.192 2.125 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 35 VAL H 1 35 VAL HB 3.500 . 3.500 2.758 2.598 3.521 0.021 1 0 "[ . 1 . 2 . 3]" 1
1234 1 39 MET H 1 39 MET HB3 3.500 . 3.500 2.528 2.350 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 2.619 2.585 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 43 ARG H 1 43 ARG HB2 3.500 . 3.500 2.830 2.414 3.524 0.024 30 0 "[ . 1 . 2 . 3]" 1
1237 1 43 ARG H 1 43 ARG HB3 3.500 . 3.500 2.646 2.384 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 44 ARG H 1 44 ARG HB2 2.500 . 2.500 2.277 2.050 2.517 0.017 18 0 "[ . 1 . 2 . 3]" 1
1239 1 45 THR H 1 45 THR HB 3.500 . 3.500 2.881 2.657 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 46 TYR H 1 46 TYR QB 3.500 . 3.500 2.372 2.343 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 49 PHE H 1 49 PHE HB2 2.500 . 2.500 2.416 2.067 2.508 0.008 6 0 "[ . 1 . 2 . 3]" 1
1242 1 49 PHE H 1 49 PHE HB3 3.500 . 3.500 3.017 2.897 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 51 LYS H 1 51 LYS HB2 3.500 . 3.500 2.715 2.383 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 54 LEU H 1 54 LEU HB2 3.500 . 3.500 2.321 2.225 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 59 ASN H 1 59 ASN HB2 3.500 . 3.500 2.578 2.311 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 60 VAL H 1 60 VAL HB 3.500 . 3.500 2.731 2.618 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 61 VAL H 1 61 VAL HB 3.500 . 3.500 2.562 2.459 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 62 LEU H 1 62 LEU HB2 3.500 . 3.500 2.929 2.821 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 64 HIS H 1 64 HIS HB2 3.500 . 3.500 2.287 2.090 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 65 GLN H 1 65 GLN HB2 2.500 . 2.500 2.293 2.217 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 67 ASP H 1 67 ASP HB2 3.500 . 3.500 2.383 2.186 3.530 0.030 28 0 "[ . 1 . 2 . 3]" 1
1252 1 68 TYR H 1 68 TYR HB3 3.500 . 3.500 2.554 2.435 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 68 TYR H 1 68 TYR HB2 3.500 . 3.500 2.605 2.416 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 69 GLN H 1 69 GLN HB2 3.500 . 3.500 2.764 2.498 3.516 0.016 21 0 "[ . 1 . 2 . 3]" 1
1255 1 70 ALA H 1 70 ALA MB 3.500 . 3.500 2.370 2.288 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 71 GLN H 1 71 GLN QB 3.500 . 3.500 2.406 2.167 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 73 ALA H 1 73 ALA MB 2.500 . 2.500 2.493 2.419 2.512 0.012 25 0 "[ . 1 . 2 . 3]" 1
1258 1 74 VAL H 1 74 VAL HB 3.500 . 3.500 2.817 2.620 3.558 0.058 25 0 "[ . 1 . 2 . 3]" 1
1259 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 2.665 2.572 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 77 HIS H 1 77 HIS HB2 3.500 . 3.500 3.122 2.980 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 78 ASP H 1 78 ASP HB2 3.500 . 3.500 2.676 2.380 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 3.411 2.546 3.548 0.048 8 0 "[ . 1 . 2 . 3]" 1
1263 1 80 ALA H 1 80 ALA MB 2.500 . 2.500 2.155 2.051 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 81 ALA H 1 81 ALA MB 2.500 . 2.500 2.139 2.031 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 82 VAL H 1 82 VAL HB 3.500 . 3.500 2.262 2.210 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 83 PHE H 1 83 PHE HB2 2.500 . 2.500 2.177 2.062 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 83 PHE H 1 83 PHE HB3 3.500 . 3.500 3.469 3.319 3.545 0.045 9 0 "[ . 1 . 2 . 3]" 1
1268 1 84 ALA H 1 84 ALA MB 2.500 . 2.500 2.200 2.085 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 85 TYR H 1 85 TYR HB3 3.500 . 3.500 2.100 2.079 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 86 ALA H 1 86 ALA MB 2.500 . 2.500 2.155 2.048 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 87 LYS H 1 87 LYS HB2 2.500 . 2.500 2.152 2.087 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 87 LYS H 1 87 LYS HB3 3.500 . 3.500 3.032 2.956 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 88 GLN H 1 88 GLN HB2 3.500 . 3.500 2.210 2.095 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 88 GLN H 1 88 GLN HB3 3.500 . 3.500 2.995 2.644 3.532 0.032 26 0 "[ . 1 . 2 . 3]" 1
1275 1 89 HIS H 1 89 HIS HB2 2.500 . 2.500 2.333 2.290 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 91 ASP H 1 91 ASP HB2 3.500 . 3.500 2.381 2.088 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 92 GLN H 1 92 GLN HB2 3.500 . 3.500 2.641 2.255 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 93 GLU H 1 93 GLU HB2 3.500 . 3.500 2.514 2.265 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 94 LEU H 1 94 LEU HB2 3.500 . 3.500 2.315 2.235 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 94 LEU H 1 94 LEU HB3 3.500 . 3.500 3.212 2.929 3.514 0.014 25 0 "[ . 1 . 2 . 3]" 1
1281 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.852 2.727 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 96 ILE H 1 96 ILE HB 3.500 . 3.500 2.653 2.400 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 97 ALA H 1 97 ALA MB 3.500 . 3.500 2.360 2.208 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 100 ALA H 1 100 ALA MB 3.500 . 3.500 2.152 2.052 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 101 GLN H 1 101 GLN HB2 2.500 . 2.500 2.083 2.059 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 102 ILE H 1 102 ILE HB 3.500 . 3.500 2.610 2.375 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 103 PHE H 1 103 PHE HB2 3.500 . 3.500 2.397 2.193 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 104 THR H 1 104 THR HB 3.500 . 3.500 2.571 2.459 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 105 ALA H 1 105 ALA MB 3.500 . 3.500 2.130 2.038 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 106 PHE H 1 106 PHE HB2 3.500 . 3.500 2.379 2.271 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 107 LYS H 1 107 LYS HB3 3.500 . 3.500 2.183 2.133 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 108 ASP H 1 108 ASP HB2 3.500 . 3.500 2.354 2.169 3.541 0.041 5 0 "[ . 1 . 2 . 3]" 1
1293 1 109 ASP H 1 109 ASP HB2 3.500 . 3.500 2.197 2.141 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 110 VAL H 1 110 VAL HB 3.500 . 3.500 2.701 2.639 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 111 ASP H 1 111 ASP HB2 3.500 . 3.500 2.635 2.445 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 112 THR H 1 112 THR HB 3.500 . 3.500 2.645 2.583 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 113 LEU H 1 113 LEU HB2 3.500 . 3.500 2.763 2.684 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 114 LEU H 1 114 LEU HB2 3.500 . 3.500 2.672 2.423 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 116 THR H 1 116 THR HB 3.500 . 3.500 2.510 2.423 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 117 ARG H 1 117 ARG HB2 3.500 . 3.500 2.307 2.115 3.538 0.038 27 0 "[ . 1 . 2 . 3]" 1
1301 1 118 LEU H 1 118 LEU HB2 3.500 . 3.500 2.106 2.059 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 119 ALA H 1 119 ALA MB 3.500 . 3.500 2.119 2.059 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 121 SER H 1 121 SER QB 2.500 . 2.500 2.372 2.208 2.508 0.008 26 0 "[ . 1 . 2 . 3]" 1
1304 1 123 GLU H 1 123 GLU HB3 3.500 . 3.500 3.198 3.049 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 126 THR H 1 126 THR HB 3.500 . 3.500 3.078 2.681 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 128 MET H 1 128 MET HB3 3.500 . 3.500 2.603 2.363 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 128 MET H 1 128 MET HB2 3.500 . 3.500 2.461 2.363 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 131 LEU H 1 131 LEU HB2 3.500 . 3.500 3.147 2.925 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 133 TRP H 1 133 TRP QB 3.500 . 3.500 2.451 2.428 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 134 ASP H 1 134 ASP QB 3.500 . 3.500 2.210 2.030 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 135 ASP H 1 135 ASP HB2 3.500 . 3.500 2.172 2.086 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 135 ASP H 1 135 ASP HB3 3.500 . 3.500 3.311 2.509 3.502 0.002 19 0 "[ . 1 . 2 . 3]" 1
1313 1 136 PHE H 1 136 PHE HB2 3.500 . 3.500 2.544 2.475 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 137 THR H 1 137 THR HB 3.500 . 3.500 2.512 2.462 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 138 LYS H 1 138 LYS HB2 3.500 . 3.500 2.389 2.116 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 138 LYS H 1 138 LYS HB3 3.500 . 3.500 2.691 2.494 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 140 SER H 1 140 SER HB2 3.500 . 3.500 2.970 2.756 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 143 THR H 1 143 THR HB 3.500 . 3.500 2.736 2.566 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 144 VAL H 1 144 VAL HB 3.500 . 3.500 2.861 2.619 3.524 0.024 30 0 "[ . 1 . 2 . 3]" 1
1320 1 146 ASP H 1 146 ASP HB2 3.500 . 3.500 2.383 2.311 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 147 THR H 1 147 THR HB 3.500 . 3.500 3.201 2.522 3.544 0.044 28 0 "[ . 1 . 2 . 3]" 1
1322 1 148 ASN H 1 148 ASN HB2 3.500 . 3.500 2.193 2.122 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 150 ALA H 1 150 ALA MB 2.500 . 2.500 2.176 2.094 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 151 LEU H 1 151 LEU HB2 3.500 . 3.500 2.333 2.204 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 152 THR H 1 152 THR HB 3.500 . 3.500 2.656 2.514 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 153 HIS H 1 153 HIS QB 3.500 . 3.500 2.908 2.749 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 154 THR H 1 154 THR HB 3.500 . 3.500 2.807 2.725 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 155 TYR H 1 155 TYR HB2 3.500 . 3.500 2.229 2.191 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 156 GLU H 1 156 GLU HB2 3.500 . 3.500 2.661 2.436 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 2.746 2.662 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 158 TRP H 1 158 TRP QB 3.500 . 3.500 2.837 2.776 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 159 GLN H 1 159 GLN HB2 3.500 . 3.500 2.652 2.602 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 160 LYS H 1 160 LYS HB2 3.500 . 3.500 2.281 2.048 3.536 0.036 4 0 "[ . 1 . 2 . 3]" 1
1334 1 160 LYS H 1 160 LYS HB3 3.500 . 3.500 2.839 2.418 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 161 LYS H 1 161 LYS HB2 3.500 . 3.500 2.332 2.062 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 161 LYS H 1 161 LYS HB3 4.400 . 4.400 3.506 3.114 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 162 ALA H 1 162 ALA MB 3.500 . 3.500 2.874 2.834 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 1 THR H1 1 1 THR HB 3.500 . 3.500 3.535 2.638 4.158 0.658 12 7 "[ * *1 + . * 2 * . -*]" 1
1339 1 1 THR H1 1 1 THR HA 4.500 . 4.500 2.624 2.266 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 1 THR HB 1 1 THR MG 2.500 . 2.500 2.094 2.072 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 1 THR H1 1 1 THR MG 3.500 . 3.500 3.200 1.993 4.096 0.596 4 1 "[ +. 1 . 2 . 3]" 1
1342 1 3 PHE HA 1 3 PHE QD 3.500 . 3.500 2.300 1.932 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 3 PHE H 1 3 PHE QD 3.500 . 3.500 3.059 2.598 3.513 0.013 4 0 "[ . 1 . 2 . 3]" 1
1344 1 4 LEU H 1 4 LEU MD2 4.500 . 4.500 4.511 4.503 4.519 0.019 10 0 "[ . 1 . 2 . 3]" 1
1345 1 4 LEU HA 1 4 LEU MD1 3.500 . 3.500 2.247 1.965 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 4 LEU HA 1 4 LEU MD2 4.500 . 4.500 3.881 3.813 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 4 LEU HB3 1 4 LEU MD1 3.500 . 3.500 3.186 3.170 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 4 LEU HB2 1 4 LEU MD1 2.500 . 2.500 2.290 2.161 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 4 LEU H 1 4 LEU MD1 5.500 . 5.500 4.374 4.267 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 5 TRP H 1 5 TRP HE3 3.500 . 3.500 3.096 2.926 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 5 TRP HA 1 5 TRP HD1 4.500 . 4.500 4.227 4.189 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 5 TRP QB 1 5 TRP HD1 3.500 . 3.500 2.612 2.581 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 5 TRP HA 1 5 TRP HE3 4.500 . 4.500 4.499 4.425 4.518 0.018 22 0 "[ . 1 . 2 . 3]" 1
1354 1 7 GLN HB3 1 7 GLN HE22 4.500 . 4.500 3.662 3.537 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 7 GLN H 1 7 GLN HG2 4.500 . 4.500 2.233 2.109 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 7 GLN H 1 7 GLN HG3 4.500 . 4.500 3.862 3.760 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 9 ARG HA 1 9 ARG HE 4.500 . 4.500 3.944 2.719 4.505 0.005 21 0 "[ . 1 . 2 . 3]" 1
1358 1 9 ARG HE 1 9 ARG QG 3.500 . 3.500 2.473 2.091 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 9 ARG H 1 9 ARG QG 3.500 . 3.500 2.902 2.134 3.502 0.002 2 0 "[ . 1 . 2 . 3]" 1
1360 1 9 ARG QB 1 9 ARG HE 4.500 . 4.500 3.133 1.986 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 9 ARG H 1 9 ARG QD 4.500 . 4.500 4.247 3.653 4.509 0.009 1 0 "[ . 1 . 2 . 3]" 1
1362 1 12 LEU HA 1 12 LEU MD2 4.500 . 4.500 3.810 3.687 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 12 LEU H 1 12 LEU MD1 4.500 . 4.500 3.585 3.380 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 12 LEU H 1 12 LEU MD2 4.500 . 4.500 4.135 4.066 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 12 LEU HA 1 12 LEU MD1 3.500 . 3.500 1.971 1.856 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 13 ILE HA 1 13 ILE MD 4.500 . 4.500 4.074 4.002 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 13 ILE H 1 13 ILE MG 3.500 . 3.500 3.107 2.958 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 13 ILE H 1 13 ILE MD 4.500 . 4.500 4.290 4.185 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 13 ILE H 1 13 ILE QG 3.500 . 3.500 2.661 2.537 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 13 ILE MD 1 13 ILE MG 2.500 . 2.500 2.350 1.951 2.517 0.017 5 0 "[ . 1 . 2 . 3]" 1
1371 1 13 ILE HA 1 13 ILE MG 3.500 . 3.500 2.355 2.307 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 15 LYS H 1 15 LYS QG 3.500 . 3.500 2.267 1.939 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 18 HIS H 1 18 HIS HD1 4.500 . 4.500 2.781 2.024 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 19 LEU HA 1 19 LEU MD2 4.500 . 4.500 3.921 3.178 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 19 LEU H 1 19 LEU MD2 3.500 . 3.500 2.971 2.446 3.525 0.025 22 0 "[ . 1 . 2 . 3]" 1
1376 1 19 LEU H 1 19 LEU MD1 4.500 . 4.500 3.431 1.944 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 21 TRP QB 1 21 TRP HD1 3.500 . 3.500 2.823 2.761 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 21 TRP H 1 21 TRP HE1 4.500 . 4.500 4.463 4.264 4.510 0.010 16 0 "[ . 1 . 2 . 3]" 1
1379 1 21 TRP H 1 21 TRP HD1 3.500 . 3.500 3.480 3.057 3.514 0.014 19 0 "[ . 1 . 2 . 3]" 1
1380 1 22 HIS QB 1 22 HIS HD2 3.500 . 3.500 2.797 2.626 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 23 LEU QB 1 23 LEU MD1 2.500 . 2.500 2.193 2.034 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 23 LEU HA 1 23 LEU MD2 4.500 . 4.500 3.701 3.629 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 23 LEU HA 1 23 LEU MD1 3.500 . 3.500 2.543 2.189 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 23 LEU H 1 23 LEU MD1 3.500 . 3.500 3.147 2.668 3.505 0.005 6 0 "[ . 1 . 2 . 3]" 1
1385 1 23 LEU H 1 23 LEU MD2 5.500 . 5.500 4.418 4.228 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 23 LEU H 1 23 LEU HG 4.500 . 4.500 4.456 4.270 4.519 0.019 17 0 "[ . 1 . 2 . 3]" 1
1387 1 27 LEU H 1 27 LEU MD1 3.500 . 3.500 3.204 2.921 3.524 0.024 26 0 "[ . 1 . 2 . 3]" 1
1388 1 27 LEU QB 1 27 LEU MD2 2.500 . 2.500 2.029 1.899 2.100 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 27 LEU H 1 27 LEU MD2 3.500 . 3.500 3.151 2.035 3.513 0.013 12 0 "[ . 1 . 2 . 3]" 1
1390 1 27 LEU HA 1 27 LEU MD1 4.500 . 4.500 3.913 3.659 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 27 LEU QB 1 27 LEU MD1 2.500 . 2.500 1.965 1.907 2.077 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 27 LEU HA 1 27 LEU MD2 4.500 . 4.500 3.207 2.596 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.461 2.101 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 30 PHE QB 1 30 PHE QD 2.500 . 2.500 2.137 2.123 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 30 PHE H 1 30 PHE QD 4.500 . 4.500 3.801 2.791 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 31 ARG HE 1 31 ARG QG 3.500 . 3.500 2.575 2.096 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 31 ARG QB 1 31 ARG HE 3.500 . 3.500 2.750 1.986 3.502 0.002 3 0 "[ . 1 . 2 . 3]" 1
1398 1 33 GLN H 1 33 GLN QG 3.500 . 3.500 3.389 2.728 3.502 0.002 15 0 "[ . 1 . 2 . 3]" 1
1399 1 33 GLN HA 1 33 GLN HE21 5.500 . 5.500 4.692 4.133 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 34 THR HA 1 34 THR MG 3.500 . 3.500 2.381 2.147 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 34 THR H 1 34 THR MG 3.500 . 3.500 2.551 2.270 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 34 THR H 1 34 THR HG1 4.500 . 4.500 2.207 1.938 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 35 VAL H 1 35 VAL QG 3.500 . 3.500 2.073 1.838 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 37 LYS H 1 37 LYS QG 3.500 . 3.500 2.980 2.381 3.502 0.002 13 0 "[ . 1 . 2 . 3]" 1
1405 1 38 ILE HB 1 38 ILE MD 3.500 . 3.500 2.214 2.066 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 38 ILE HA 1 38 ILE MD 4.500 . 4.500 4.125 3.963 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 38 ILE HA 1 38 ILE MG 3.500 . 3.500 2.040 1.928 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 38 ILE H 1 38 ILE MD 4.500 . 4.500 3.549 2.592 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 38 ILE HB 1 38 ILE MG 2.500 . 2.500 2.107 2.082 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 38 ILE H 1 38 ILE MG 4.500 . 4.500 3.775 3.597 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 39 MET H 1 39 MET ME 4.500 . 4.500 3.824 3.528 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 40 VAL H 1 40 VAL QG 3.500 . 3.500 2.239 2.034 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 41 VAL HA 1 41 VAL MG2 3.500 . 3.500 2.053 1.972 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 41 VAL H 1 41 VAL MG2 4.500 . 4.500 3.902 3.835 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 41 VAL H 1 41 VAL MG1 3.500 . 3.500 2.657 2.462 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 41 VAL HA 1 41 VAL MG1 3.500 . 3.500 3.149 3.119 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 43 ARG H 1 43 ARG HE 4.500 . 4.500 4.472 4.188 4.522 0.022 2 0 "[ . 1 . 2 . 3]" 1
1418 1 43 ARG QB 1 43 ARG HE 3.500 . 3.500 2.254 2.026 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 43 ARG HE 1 43 ARG QG 3.500 . 3.500 2.594 2.270 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 44 ARG H 1 44 ARG HE 3.500 . 3.500 3.218 2.653 3.506 0.006 18 0 "[ . 1 . 2 . 3]" 1
1421 1 45 THR HB 1 45 THR MG 2.500 . 2.500 2.109 2.076 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 45 THR H 1 45 THR MG 4.500 . 4.500 3.671 3.407 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 45 THR HA 1 45 THR MG 3.500 . 3.500 2.169 1.982 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 45 THR H 1 45 THR HG1 3.500 . 3.500 2.243 1.947 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 46 TYR QB 1 46 TYR QD 2.500 . 2.500 2.153 2.147 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 46 TYR HA 1 46 TYR QD 4.500 . 4.500 3.650 3.624 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 46 TYR H 1 46 TYR QD 3.500 . 3.500 3.047 2.940 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 47 GLU H 1 47 GLU QG 3.500 . 3.500 3.126 1.834 3.532 0.032 26 0 "[ . 1 . 2 . 3]" 1
1429 1 49 PHE H 1 49 PHE QD 4.500 . 4.500 4.018 3.152 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 49 PHE HA 1 49 PHE QD 3.500 . 3.500 2.572 2.101 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 51 LYS H 1 51 LYS QG 4.500 . 4.500 3.870 2.993 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 51 LYS HA 1 51 LYS QD 3.500 . 3.500 2.367 1.967 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 52 ARG H 1 52 ARG HE 5.500 . 5.500 4.541 3.156 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 52 ARG H 1 52 ARG QD 4.500 . 4.500 3.985 3.375 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 52 ARG H 1 52 ARG QG 3.500 . 3.500 1.988 1.800 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 54 LEU HA 1 54 LEU MD2 3.500 . 3.500 2.604 1.970 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 54 LEU HA 1 54 LEU MD1 4.500 . 4.500 3.778 3.534 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 54 LEU H 1 54 LEU HG 3.500 . 3.500 2.829 2.320 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 54 LEU H 1 54 LEU MD1 4.500 . 4.500 3.079 2.442 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 54 LEU H 1 54 LEU MD2 4.500 . 4.500 4.059 3.734 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 57 ARG H 1 57 ARG HE 5.500 . 5.500 5.235 4.821 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 57 ARG H 1 57 ARG QG 3.500 . 3.500 2.639 2.510 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 57 ARG H 1 57 ARG QD 4.500 . 4.500 4.030 3.829 4.567 0.067 15 0 "[ . 1 . 2 . 3]" 1
1444 1 57 ARG QB 1 57 ARG HE 2.500 . 2.500 2.316 1.939 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 58 THR H 1 58 THR MG 4.500 . 4.500 3.821 3.750 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 58 THR HA 1 58 THR MG 2.500 . 2.500 2.325 2.104 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 58 THR HB 1 58 THR MG 2.500 . 2.500 2.110 2.073 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 59 ASN H 1 59 ASN HD22 4.500 . 4.500 3.696 3.219 4.504 0.004 15 0 "[ . 1 . 2 . 3]" 1
1449 1 59 ASN HA 1 59 ASN HD21 4.500 . 4.500 3.231 1.978 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 59 ASN H 1 59 ASN HD21 3.500 . 3.500 2.394 1.947 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 60 VAL H 1 60 VAL MG2 4.500 . 4.500 3.079 2.937 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 60 VAL H 1 60 VAL MG1 4.500 . 4.500 3.866 3.791 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 60 VAL HA 1 60 VAL MG2 3.500 . 3.500 2.291 2.166 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 60 VAL HA 1 60 VAL MG1 3.500 . 3.500 2.386 2.271 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 61 VAL H 1 61 VAL MG2 3.500 . 3.500 2.687 2.555 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 61 VAL HA 1 61 VAL MG1 3.500 . 3.500 2.368 2.264 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 61 VAL HA 1 61 VAL MG2 3.500 . 3.500 2.375 2.232 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 61 VAL H 1 61 VAL MG1 4.500 . 4.500 3.822 3.769 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 62 LEU H 1 62 LEU HG 5.500 . 5.500 4.596 4.551 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 62 LEU QB 1 62 LEU MD1 2.500 . 2.500 2.169 2.019 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 62 LEU H 1 62 LEU MD1 4.500 . 4.500 4.256 4.119 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 62 LEU HA 1 62 LEU MD1 4.500 . 4.500 2.262 1.930 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 62 LEU H 1 62 LEU MD2 5.500 . 5.500 4.530 4.463 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 62 LEU HA 1 62 LEU MD2 4.500 . 4.500 3.857 3.820 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 63 THR H 1 63 THR MG 3.500 . 3.500 2.252 1.971 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 64 HIS HA 1 64 HIS HE1 5.500 . 5.500 4.829 4.310 5.508 0.008 25 0 "[ . 1 . 2 . 3]" 1
1467 1 64 HIS H 1 64 HIS HD2 4.500 . 4.500 3.332 2.225 4.507 0.007 23 0 "[ . 1 . 2 . 3]" 1
1468 1 64 HIS QB 1 64 HIS HD2 3.500 . 3.500 2.765 2.625 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 65 GLN H 1 65 GLN HE22 4.500 . 4.500 4.188 3.722 4.500 0.000 3 0 "[ . 1 . 2 . 3]" 1
1470 1 65 GLN QB 1 65 GLN HE21 3.500 . 3.500 2.430 1.986 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 65 GLN H 1 65 GLN QG 4.500 . 4.500 2.713 2.496 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 65 GLN QB 1 65 GLN HE22 4.500 . 4.500 3.370 3.219 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 66 GLU H 1 66 GLU QG 3.500 . 3.500 2.086 1.925 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 68 TYR HA 1 68 TYR QD 3.500 . 3.500 2.636 2.298 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 68 TYR H 1 68 TYR QD 4.500 . 4.500 4.216 4.138 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 69 GLN HA 1 69 GLN HE21 4.500 . 4.500 2.991 1.996 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 69 GLN H 1 69 GLN QG 3.500 . 3.500 2.823 1.827 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 69 GLN H 1 69 GLN HE21 4.500 . 4.500 3.955 3.007 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 69 GLN H 1 69 GLN HE22 5.500 . 5.500 5.322 4.284 5.501 0.001 17 0 "[ . 1 . 2 . 3]" 1
1480 1 69 GLN HA 1 69 GLN QG 3.500 . 3.500 2.965 2.817 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 69 GLN HA 1 69 GLN HE22 5.500 . 5.500 3.630 3.016 5.502 0.002 22 0 "[ . 1 . 2 . 3]" 1
1482 1 71 GLN H 1 71 GLN HE22 4.500 . 4.500 3.681 2.759 4.505 0.005 25 0 "[ . 1 . 2 . 3]" 1
1483 1 71 GLN HE22 1 71 GLN QG 3.500 . 3.500 3.290 3.217 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 71 GLN H 1 71 GLN QG 3.500 . 3.500 2.816 2.000 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 74 VAL HA 1 74 VAL MG1 3.500 . 3.500 2.245 2.068 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 74 VAL HA 1 74 VAL MG2 3.500 . 3.500 2.601 2.462 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 74 VAL H 1 74 VAL MG1 4.500 . 4.500 3.688 2.764 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 74 VAL H 1 74 VAL MG2 3.500 . 3.500 2.054 1.824 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 75 VAL H 1 75 VAL MG2 3.500 . 3.500 2.616 2.365 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 75 VAL HA 1 75 VAL MG2 3.500 . 3.500 2.410 2.273 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 75 VAL HA 1 75 VAL MG1 3.500 . 3.500 2.310 2.208 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 75 VAL H 1 75 VAL MG1 4.500 . 4.500 3.866 3.830 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 76 VAL H 1 76 VAL MG2 3.500 . 3.500 2.376 1.970 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 76 VAL HA 1 76 VAL MG2 3.500 . 3.500 3.191 3.169 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 76 VAL HA 1 76 VAL MG1 3.500 . 3.500 2.294 2.078 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 76 VAL H 1 76 VAL MG1 4.500 . 4.500 3.207 3.040 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 77 HIS QB 1 77 HIS HD2 3.500 . 3.500 2.637 2.625 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 79 VAL H 1 79 VAL QG 3.500 . 3.500 1.876 1.814 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 82 VAL HA 1 82 VAL MG1 3.500 . 3.500 3.187 3.179 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 82 VAL H 1 82 VAL MG1 3.500 . 3.500 2.591 2.275 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 82 VAL H 1 82 VAL MG2 4.500 . 4.500 3.660 3.616 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 82 VAL HA 1 82 VAL MG2 2.500 . 2.500 2.177 2.126 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 83 PHE H 1 83 PHE QD 3.500 . 3.500 3.393 3.073 3.507 0.007 1 0 "[ . 1 . 2 . 3]" 1
1504 1 83 PHE HA 1 83 PHE QD 3.500 . 3.500 2.060 1.824 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 85 TYR H 1 85 TYR QD 3.500 . 3.500 3.502 3.450 3.519 0.019 4 0 "[ . 1 . 2 . 3]" 1
1506 1 85 TYR HA 1 85 TYR QD 4.500 . 4.500 3.231 3.174 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 87 LYS H 1 87 LYS QD 3.500 . 3.500 3.477 3.314 3.504 0.004 11 0 "[ . 1 . 2 . 3]" 1
1508 1 87 LYS H 1 87 LYS QG 4.500 . 4.500 3.985 3.806 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 88 GLN HA 1 88 GLN HE21 4.500 . 4.500 3.645 2.023 4.500 0.000 9 0 "[ . 1 . 2 . 3]" 1
1510 1 88 GLN H 1 88 GLN QG 4.500 . 4.500 3.807 2.548 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 88 GLN QB 1 88 GLN HE22 4.500 . 4.500 3.415 3.159 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 88 GLN HA 1 88 GLN HE22 5.500 . 5.500 4.635 3.166 5.502 0.002 6 0 "[ . 1 . 2 . 3]" 1
1513 1 89 HIS H 1 89 HIS HD2 4.500 . 4.500 4.498 4.405 4.509 0.009 26 0 "[ . 1 . 2 . 3]" 1
1514 1 89 HIS QB 1 89 HIS HD2 3.500 . 3.500 2.629 2.621 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 92 GLN H 1 92 GLN QG 4.500 . 4.500 3.279 2.208 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 92 GLN QB 1 92 GLN HE21 3.500 . 3.500 2.810 1.981 3.501 0.001 24 0 "[ . 1 . 2 . 3]" 1
1517 1 92 GLN QB 1 92 GLN HE22 4.500 . 4.500 3.598 3.167 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 94 LEU QB 1 94 LEU QD 2.500 . 2.500 1.894 1.784 1.957 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.330 1.936 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 94 LEU H 1 94 LEU QD 3.500 . 3.500 3.200 2.437 3.506 0.006 21 0 "[ . 1 . 2 . 3]" 1
1521 1 95 VAL H 1 95 VAL MG1 4.500 . 4.500 3.941 3.893 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 95 VAL HA 1 95 VAL MG1 2.500 . 2.500 2.315 2.206 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 95 VAL H 1 95 VAL MG2 4.500 . 4.500 2.800 2.655 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 96 ILE H 1 96 ILE QG 3.500 . 3.500 2.366 1.945 3.500 0.000 11 0 "[ . 1 . 2 . 3]" 1
1525 1 96 ILE H 1 96 ILE MG 4.500 . 4.500 3.798 3.744 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 96 ILE HA 1 96 ILE MD 3.500 . 3.500 2.258 1.974 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 96 ILE MD 1 96 ILE MG 3.500 . 3.500 2.233 1.813 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 101 GLN HA 1 101 GLN QG 3.500 . 3.500 2.209 1.988 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 101 GLN H 1 101 GLN QG 3.500 . 3.500 3.399 2.990 3.524 0.024 1 0 "[ . 1 . 2 . 3]" 1
1530 1 102 ILE H 1 102 ILE QG 4.500 . 4.500 2.104 1.898 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 102 ILE H 1 102 ILE MG 4.500 . 4.500 3.767 3.729 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 102 ILE MD 1 102 ILE MG 3.500 . 3.500 2.151 1.840 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 102 ILE HB 1 102 ILE MD 3.500 . 3.500 3.134 2.319 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 102 ILE HA 1 102 ILE MD 3.500 . 3.500 2.056 1.872 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 102 ILE H 1 102 ILE HG12 4.500 . 4.500 2.168 1.906 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 102 ILE H 1 102 ILE MD 3.500 . 3.500 2.979 1.851 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 102 ILE HB 1 102 ILE MG 2.500 . 2.500 2.118 2.087 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 102 ILE HA 1 102 ILE HG12 4.500 . 4.500 3.194 2.993 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 103 PHE H 1 103 PHE QD 4.500 . 4.500 3.159 1.986 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 104 THR HB 1 104 THR MG 2.500 . 2.500 2.082 2.073 2.114 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 104 THR H 1 104 THR MG 4.500 . 4.500 3.743 3.715 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 104 THR HA 1 104 THR MG 2.500 . 2.500 2.414 2.180 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 106 PHE HA 1 106 PHE QD 3.500 . 3.500 3.086 2.974 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 107 LYS H 1 107 LYS QG 3.500 . 3.500 2.991 2.822 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 107 LYS H 1 107 LYS QD 5.500 . 5.500 4.003 3.734 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 112 THR HA 1 112 THR MG 3.500 . 3.500 2.345 2.259 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 112 THR H 1 112 THR MG 4.500 . 4.500 3.873 3.846 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 113 LEU HA 1 113 LEU MD1 4.500 . 4.500 1.970 1.877 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 113 LEU H 1 113 LEU HG 5.500 . 5.500 4.810 4.595 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 113 LEU H 1 113 LEU MD1 4.500 . 4.500 3.826 3.655 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 113 LEU H 1 113 LEU MD2 4.500 . 4.500 4.531 4.520 4.547 0.047 12 0 "[ . 1 . 2 . 3]" 1
1552 1 114 LEU QB 1 114 LEU MD2 2.500 . 2.500 2.129 2.045 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 114 LEU HA 1 114 LEU MD2 2.500 . 2.500 2.424 2.139 2.503 0.003 7 0 "[ . 1 . 2 . 3]" 1
1554 1 114 LEU H 1 114 LEU MD2 4.500 . 4.500 4.282 3.986 4.500 0.000 17 0 "[ . 1 . 2 . 3]" 1
1555 1 114 LEU HA 1 114 LEU MD1 4.500 . 4.500 3.886 3.779 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 114 LEU H 1 114 LEU MD1 4.500 . 4.500 3.794 3.473 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1557 1 114 LEU QB 1 114 LEU MD1 2.500 . 2.500 2.046 1.939 2.101 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 115 VAL HA 1 115 VAL MG1 3.500 . 3.500 2.301 2.246 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
1559 1 115 VAL H 1 115 VAL MG1 3.500 . 3.500 2.856 2.761 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 115 VAL H 1 115 VAL MG2 3.500 . 3.500 2.135 1.985 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 116 THR H 1 116 THR MG 4.500 . 4.500 3.789 3.738 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 118 LEU HA 1 118 LEU HG 3.500 . 3.500 2.351 2.199 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 118 LEU HA 1 118 LEU MD1 4.500 . 4.500 2.606 2.347 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 118 LEU H 1 118 LEU MD1 3.500 . 3.500 2.485 2.027 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 118 LEU HA 1 118 LEU MD2 4.500 . 4.500 3.714 3.554 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 118 LEU H 1 118 LEU HG 4.500 . 4.500 4.103 3.820 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 118 LEU H 1 118 LEU MD2 4.500 . 4.500 4.127 3.913 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 122 PHE H 1 122 PHE QD 3.500 . 3.500 2.431 2.096 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 123 GLU H 1 123 GLU QG 3.500 . 3.500 2.206 1.973 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
1570 1 126 THR HA 1 126 THR MG 2.500 . 2.500 2.246 2.031 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 126 THR HB 1 126 THR MG 2.500 . 2.500 2.100 2.071 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 126 THR H 1 126 THR MG 4.500 . 4.500 3.986 3.835 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
1573 1 127 LYS H 1 127 LYS QG 4.500 . 4.500 3.063 1.912 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 128 MET ME 1 128 MET QG 3.500 . 3.500 2.184 2.034 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
1575 1 129 ILE HA 1 129 ILE MG 2.500 . 2.500 2.286 2.075 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 129 ILE H 1 129 ILE MG 3.500 . 3.500 2.791 2.614 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1577 1 129 ILE H 1 129 ILE QG 3.500 . 3.500 1.870 1.799 1.943 . 0 0 "[ . 1 . 2 . 3]" 1
1578 1 129 ILE MD 1 129 ILE MG 3.500 . 3.500 3.108 2.981 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 129 ILE HB 1 129 ILE MD 3.500 . 3.500 2.181 2.061 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 129 ILE HA 1 129 ILE MD 4.500 . 4.500 3.711 3.493 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 129 ILE H 1 129 ILE MD 3.500 . 3.500 3.285 2.053 3.514 0.014 4 0 "[ . 1 . 2 . 3]" 1
1582 1 131 LEU HA 1 131 LEU MD1 4.500 . 4.500 4.052 3.927 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 131 LEU H 1 131 LEU MD2 4.500 . 4.500 3.832 3.617 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1584 1 131 LEU H 1 131 LEU HG 3.500 . 3.500 2.518 2.241 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 131 LEU H 1 131 LEU MD1 4.500 . 4.500 3.559 2.605 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
1586 1 131 LEU QB 1 131 LEU MD1 2.500 . 2.500 1.989 1.901 2.083 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 131 LEU HA 1 131 LEU MD2 3.500 . 3.500 2.766 2.508 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 132 ASN H 1 132 ASN HD21 5.500 . 5.500 4.788 4.482 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 132 ASN HA 1 132 ASN HD22 4.500 . 4.500 3.678 3.337 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 132 ASN QB 1 132 ASN HD22 3.500 . 3.500 3.358 3.228 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 133 TRP QB 1 133 TRP HD1 3.500 . 3.500 2.647 2.593 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 133 TRP H 1 133 TRP HD1 3.500 . 3.500 2.206 2.065 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 133 TRP H 1 133 TRP HE1 4.500 . 4.500 4.363 4.256 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 136 PHE HA 1 136 PHE QD 3.500 . 3.500 2.615 2.288 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 136 PHE H 1 136 PHE QD 3.500 . 3.500 3.245 2.721 3.506 0.006 2 0 "[ . 1 . 2 . 3]" 1
1596 1 136 PHE H 1 136 PHE QE 5.500 . 5.500 5.231 5.031 5.377 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 137 THR H 1 137 THR MG 4.500 . 4.500 3.800 3.714 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 137 THR HA 1 137 THR MG 3.500 . 3.500 2.486 2.392 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 138 LYS QB 1 138 LYS QD 3.500 . 3.500 2.133 1.950 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 138 LYS H 1 138 LYS QE 5.500 . 5.500 4.679 3.996 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 138 LYS HA 1 138 LYS HG2 3.500 . 3.500 3.415 2.072 3.532 0.032 19 0 "[ . 1 . 2 . 3]" 1
1602 1 138 LYS HA 1 138 LYS HG3 4.500 . 4.500 2.355 2.173 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 138 LYS QB 1 138 LYS QE 3.500 . 3.500 2.423 1.950 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
1604 1 138 LYS H 1 138 LYS QG 4.500 . 4.500 3.963 3.652 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 139 VAL H 1 139 VAL QG 3.500 . 3.500 1.985 1.841 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 142 ARG HA 1 142 ARG QG 3.500 . 3.500 2.449 2.183 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 142 ARG H 1 142 ARG QG 4.500 . 4.500 4.174 4.075 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 142 ARG QB 1 142 ARG HE 4.500 . 4.500 3.487 2.035 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1609 1 143 THR H 1 143 THR MG 4.500 . 4.500 3.839 3.767 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
1610 1 143 THR H 1 143 THR HG1 2.500 . 2.500 2.442 2.179 2.503 0.003 3 0 "[ . 1 . 2 . 3]" 1
1611 1 143 THR HB 1 143 THR MG 2.500 . 2.500 2.084 2.072 2.106 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 144 VAL HA 1 144 VAL QG 2.500 . 2.500 2.102 1.951 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
1613 1 144 VAL H 1 144 VAL QG 3.500 . 3.500 2.258 1.861 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
1614 1 145 GLU H 1 145 GLU HG2 4.500 . 4.500 2.779 2.360 4.501 0.001 4 0 "[ . 1 . 2 . 3]" 1
1615 1 145 GLU H 1 145 GLU HG3 3.500 . 3.500 2.216 2.018 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 147 THR H 1 147 THR MG 3.500 . 3.500 2.491 1.933 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 147 THR HB 1 147 THR MG 2.500 . 2.500 2.099 2.072 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 147 THR HA 1 147 THR MG 3.500 . 3.500 2.552 2.092 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
1619 1 148 ASN HA 1 148 ASN HD21 4.500 . 4.500 4.202 3.571 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
1620 1 148 ASN QB 1 148 ASN HD22 3.500 . 3.500 3.220 3.213 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
1621 1 148 ASN HA 1 148 ASN HD22 4.500 . 4.500 4.375 4.009 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1622 1 151 LEU HA 1 151 LEU MD2 2.500 . 2.500 1.906 1.880 1.954 . 0 0 "[ . 1 . 2 . 3]" 1
1623 1 151 LEU HB2 1 151 LEU MD2 3.500 . 3.500 3.169 2.638 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 151 LEU H 1 151 LEU MD2 4.500 . 4.500 3.421 2.480 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 151 LEU HA 1 151 LEU MD1 4.500 . 4.500 3.688 2.490 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 151 LEU H 1 151 LEU MD1 4.500 . 4.500 4.048 3.954 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
1627 1 151 LEU QB 1 151 LEU MD1 2.500 . 2.500 2.071 2.009 2.102 . 0 0 "[ . 1 . 2 . 3]" 1
1628 1 151 LEU HB3 1 151 LEU MD1 3.500 . 3.500 2.247 2.108 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
1629 1 152 THR H 1 152 THR MG 4.500 . 4.500 3.770 3.695 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1630 1 152 THR HB 1 152 THR MG 2.500 . 2.500 2.092 2.073 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
1631 1 152 THR H 1 152 THR HG1 4.500 . 4.500 2.958 2.014 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
1632 1 154 THR H 1 154 THR MG 4.500 . 4.500 3.936 3.905 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1633 1 154 THR HA 1 154 THR MG 2.500 . 2.500 2.391 2.178 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
1634 1 155 TYR H 1 155 TYR QD 4.500 . 4.500 3.262 2.834 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1635 1 155 TYR HA 1 155 TYR QD 3.500 . 3.500 2.635 2.182 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
1636 1 156 GLU H 1 156 GLU QG 3.500 . 3.500 3.063 2.661 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
1637 1 157 VAL HA 1 157 VAL QG 2.500 . 2.500 2.083 2.020 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
1638 1 157 VAL H 1 157 VAL QG 3.500 . 3.500 2.371 2.202 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 158 TRP H 1 158 TRP HD1 3.500 . 3.500 3.006 2.737 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
1640 1 158 TRP QB 1 158 TRP HE3 3.500 . 3.500 2.411 2.369 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
1641 1 158 TRP HA 1 158 TRP HD1 4.500 . 4.500 3.900 3.702 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
1642 1 158 TRP HA 1 158 TRP HE3 4.500 . 4.500 3.674 3.424 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
1643 1 158 TRP QB 1 158 TRP HD1 3.500 . 3.500 2.758 2.680 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
1644 1 159 GLN H 1 159 GLN QG 4.500 . 4.500 3.608 3.089 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 161 LYS H 1 161 LYS QG 4.500 . 4.500 2.683 1.970 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
1646 1 161 LYS H 1 161 LYS QD 4.500 . 4.500 3.608 2.475 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
1647 1 6 ALA MB 2 1 NDP H71N 3.500 . 3.500 2.346 2.066 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 6 ALA H 2 1 NDP H71N 2.500 . 2.500 2.305 2.004 2.506 0.006 5 0 "[ . 1 . 2 . 3]" 1
1649 1 6 ALA H 2 1 NDP H72N 4.500 . 4.500 3.901 3.637 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
1650 1 13 ILE HB 2 1 NDP H2N 4.500 . 4.500 2.654 2.368 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
1651 1 13 ILE MD 2 1 NDP H5N 4.500 . 4.500 4.507 4.481 4.521 0.021 25 0 "[ . 1 . 2 . 3]" 1
1652 1 13 ILE HB 2 1 NDP H72N 3.500 . 3.500 2.704 2.112 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1653 1 13 ILE HA 2 1 NDP H72N 3.500 . 3.500 3.027 2.780 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
1654 1 13 ILE HB 2 1 NDP H71N 3.500 . 3.500 3.423 3.120 3.510 0.010 29 0 "[ . 1 . 2 . 3]" 1
1655 1 13 ILE MG 2 1 NDP H2N 4.500 . 4.500 4.255 4.015 4.503 0.003 5 0 "[ . 1 . 2 . 3]" 1
1656 1 13 ILE HA 2 1 NDP H71N 3.500 . 3.500 3.503 3.376 3.519 0.019 5 0 "[ . 1 . 2 . 3]" 1
1657 1 13 ILE MG 2 1 NDP H71N 4.500 . 4.500 4.318 4.122 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
1658 1 13 ILE MD 2 1 NDP H2N 3.500 . 3.500 2.467 2.287 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
1659 1 19 LEU HA 2 1 NDP H72N 3.500 . 3.500 3.509 3.504 3.514 0.014 1 0 "[ . 1 . 2 . 3]" 1
1660 1 19 LEU HA 2 1 NDP H71N 5.500 . 5.500 4.462 4.043 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1661 1 19 LEU MD2 2 1 NDP H71N 2.500 . 2.500 2.416 1.645 2.505 0.005 5 0 "[ . 1 . 2 . 3]" 1
1662 1 19 LEU MD2 2 1 NDP H2N 4.500 . 4.500 4.155 3.654 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
1663 1 19 LEU MD2 2 1 NDP H72N 3.500 . 3.500 3.125 2.777 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
1664 1 21 TRP HZ2 2 1 NDP H71N 3.500 . 3.500 3.213 2.728 3.503 0.003 3 0 "[ . 1 . 2 . 3]" 1
1665 1 21 TRP HZ2 2 1 NDP H72N 4.500 . 4.500 3.877 3.308 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1666 1 45 THR HG1 2 1 NDP H5N 4.500 . 4.500 4.252 3.783 4.504 0.004 18 0 "[ . 1 . 2 . 3]" 1
1667 1 45 THR MG 2 1 NDP H5N 3.500 . 3.500 1.758 1.592 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
1668 1 45 THR MG 2 1 NDP H6N 5.500 . 5.500 2.800 2.019 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1669 1 45 THR HA 2 1 NDP H6N 4.500 . 4.500 3.989 3.420 4.505 0.005 1 0 "[ . 1 . 2 . 3]" 1
1670 1 49 PHE QD 2 1 NDP H41N 5.500 . 5.500 5.503 5.442 5.512 0.012 21 0 "[ . 1 . 2 . 3]" 1
1671 1 62 LEU MD2 2 1 NDP H2A 4.500 . 4.500 4.376 3.415 4.503 0.003 2 0 "[ . 1 . 2 . 3]" 1
1672 1 62 LEU MD2 2 1 NDP H62A 4.500 . 4.500 2.628 2.188 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
1673 1 62 LEU MD1 2 1 NDP H2A 4.500 . 4.500 4.127 2.840 4.504 0.004 12 0 "[ . 1 . 2 . 3]" 1
1674 1 62 LEU MD1 2 1 NDP H62A 4.500 . 4.500 4.147 3.581 4.505 0.005 27 0 "[ . 1 . 2 . 3]" 1
1675 1 63 THR H 2 1 NDP H2A 5.500 . 5.500 5.174 3.912 5.508 0.008 11 0 "[ . 1 . 2 . 3]" 1
1676 1 64 HIS H 2 1 NDP H2A 5.500 . 5.500 4.448 3.678 5.502 0.002 17 0 "[ . 1 . 2 . 3]" 1
1677 1 77 HIS HA 2 1 NDP H2A 5.500 . 5.500 2.982 1.769 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
1678 1 99 GLY H 2 1 NDP H6N 5.500 . 5.500 5.041 4.523 5.502 0.002 1 0 "[ . 1 . 2 . 3]" 1
1679 1 99 GLY QA 2 1 NDP H51N 3.500 . 3.500 2.296 1.695 3.502 0.002 14 0 "[ . 1 . 2 . 3]" 1
1680 1 99 GLY QA 2 1 NDP H6N 3.500 . 3.500 2.882 2.445 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
1681 1 99 GLY H 2 1 NDP H51N 5.500 . 5.500 4.367 3.807 5.506 0.006 19 0 "[ . 1 . 2 . 3]" 1
1682 1 101 GLN H 2 1 NDP H8A 5.500 . 5.500 4.867 4.290 5.507 0.007 23 0 "[ . 1 . 2 . 3]" 1
1683 1 101 GLN QG 2 1 NDP H8A 4.500 . 4.500 4.054 3.600 4.502 0.002 21 0 "[ . 1 . 2 . 3]" 1
1684 1 101 GLN QB 2 1 NDP H8A 3.500 . 3.500 2.105 1.709 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1685 1 102 ILE MG 2 1 NDP H52A 5.500 . 5.500 5.341 4.794 5.515 0.015 3 0 "[ . 1 . 2 . 3]" 1
1686 1 102 ILE HA 2 1 NDP H8A 3.500 . 3.500 3.210 2.820 3.502 0.002 16 0 "[ . 1 . 2 . 3]" 1
1687 1 102 ILE H 2 1 NDP H8A 4.500 . 4.500 3.644 3.092 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
1688 1 102 ILE MG 2 1 NDP H8A 4.500 . 4.500 4.399 4.024 4.513 0.013 7 0 "[ . 1 . 2 . 3]" 1
1689 1 102 ILE MD 2 1 NDP H8A 2.500 . 2.500 2.024 1.479 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1690 2 1 NDP H52A 2 1 NDP H8A 3.500 . 3.500 3.077 2.276 3.517 0.017 8 0 "[ . 1 . 2 . 3]" 1
1691 2 1 NDP H2N 2 1 NDP H72N 2.500 . 2.500 1.720 1.684 1.743 . 0 0 "[ . 1 . 2 . 3]" 1
1692 2 1 NDP H2N 2 1 NDP H71N 4.500 . 4.500 3.225 3.208 3.237 . 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 171
_Distance_constraint_stats_list.Viol_count 841
_Distance_constraint_stats_list.Viol_total 155.454
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0062
_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 1 THR 0.002 0.001 23 0 "[ . 1 . 2 . 3]"
1 2 ALA 0.031 0.006 27 0 "[ . 1 . 2 . 3]"
1 3 PHE 0.414 0.016 8 0 "[ . 1 . 2 . 3]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 TRP 0.366 0.025 1 0 "[ . 1 . 2 . 3]"
1 6 ALA 0.228 0.024 1 0 "[ . 1 . 2 . 3]"
1 7 GLN 0.032 0.007 27 0 "[ . 1 . 2 . 3]"
1 8 ASP 0.065 0.023 4 0 "[ . 1 . 2 . 3]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.002 0.001 19 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.063 0.023 4 0 "[ . 1 . 2 . 3]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 GLY 0.227 0.019 15 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.047 0.006 12 0 "[ . 1 . 2 . 3]"
1 25 ASP 0.067 0.025 4 0 "[ . 1 . 2 . 3]"
1 26 ASP 0.047 0.006 12 0 "[ . 1 . 2 . 3]"
1 27 LEU 0.018 0.003 26 0 "[ . 1 . 2 . 3]"
1 28 HIS 0.000 0.000 15 0 "[ . 1 . 2 . 3]"
1 29 TYR 0.005 0.003 21 0 "[ . 1 . 2 . 3]"
1 30 PHE 0.071 0.006 14 0 "[ . 1 . 2 . 3]"
1 32 ALA 0.000 0.000 15 0 "[ . 1 . 2 . 3]"
1 33 GLN 0.146 0.011 17 0 "[ . 1 . 2 . 3]"
1 34 THR 0.170 0.010 15 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.144 0.011 17 0 "[ . 1 . 2 . 3]"
1 37 LYS 0.117 0.010 15 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.048 0.005 4 0 "[ . 1 . 2 . 3]"
1 39 MET 0.020 0.006 3 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.056 0.008 3 0 "[ . 1 . 2 . 3]"
1 41 VAL 0.042 0.008 2 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.077 0.007 23 0 "[ . 1 . 2 . 3]"
1 43 ARG 0.532 0.028 26 0 "[ . 1 . 2 . 3]"
1 44 ARG 0.006 0.003 3 0 "[ . 1 . 2 . 3]"
1 45 THR 0.146 0.020 19 0 "[ . 1 . 2 . 3]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLU 0.402 0.028 26 0 "[ . 1 . 2 . 3]"
1 48 SER 0.006 0.003 3 0 "[ . 1 . 2 . 3]"
1 49 PHE 0.146 0.020 19 0 "[ . 1 . 2 . 3]"
1 54 LEU 0.233 0.018 21 0 "[ . 1 . 2 . 3]"
1 57 ARG 0.233 0.018 21 0 "[ . 1 . 2 . 3]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 VAL 0.031 0.006 3 0 "[ . 1 . 2 . 3]"
1 61 VAL 0.204 0.011 30 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.162 0.014 1 0 "[ . 1 . 2 . 3]"
1 63 THR 0.006 0.006 2 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.116 0.010 27 0 "[ . 1 . 2 . 3]"
1 73 ALA 0.116 0.010 27 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.148 0.011 30 0 "[ . 1 . 2 . 3]"
1 76 VAL 0.062 0.006 2 0 "[ . 1 . 2 . 3]"
1 78 ASP 0.010 0.006 2 0 "[ . 1 . 2 . 3]"
1 79 VAL 0.077 0.019 24 0 "[ . 1 . 2 . 3]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 ALA 0.052 0.013 17 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.010 0.006 2 0 "[ . 1 . 2 . 3]"
1 83 PHE 0.077 0.019 24 0 "[ . 1 . 2 . 3]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 TYR 0.058 0.013 17 0 "[ . 1 . 2 . 3]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 89 HIS 0.006 0.006 21 0 "[ . 1 . 2 . 3]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 93 GLU 0.044 0.005 4 0 "[ . 1 . 2 . 3]"
1 95 VAL 0.005 0.003 20 0 "[ . 1 . 2 . 3]"
1 96 ILE 0.031 0.006 27 0 "[ . 1 . 2 . 3]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 GLY 0.133 0.008 3 0 "[ . 1 . 2 . 3]"
1 99 GLY 0.074 0.006 1 0 "[ . 1 . 2 . 3]"
1 100 ALA 0.013 0.003 21 0 "[ . 1 . 2 . 3]"
1 101 GLN 0.093 0.010 7 0 "[ . 1 . 2 . 3]"
1 102 ILE 0.083 0.006 1 0 "[ . 1 . 2 . 3]"
1 103 PHE 0.047 0.016 20 0 "[ . 1 . 2 . 3]"
1 104 THR 0.013 0.003 21 0 "[ . 1 . 2 . 3]"
1 105 ALA 0.093 0.010 7 0 "[ . 1 . 2 . 3]"
1 106 PHE 0.011 0.003 6 0 "[ . 1 . 2 . 3]"
1 107 LYS 0.045 0.016 20 0 "[ . 1 . 2 . 3]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 111 ASP 0.003 0.002 3 0 "[ . 1 . 2 . 3]"
1 112 THR 0.116 0.014 21 0 "[ . 1 . 2 . 3]"
1 113 LEU 0.007 0.005 18 0 "[ . 1 . 2 . 3]"
1 114 LEU 0.665 0.025 1 0 "[ . 1 . 2 . 3]"
1 115 VAL 0.294 0.019 8 0 "[ . 1 . 2 . 3]"
1 116 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 117 ARG 0.139 0.011 4 0 "[ . 1 . 2 . 3]"
1 118 LEU 0.032 0.007 27 0 "[ . 1 . 2 . 3]"
1 119 ALA 0.013 0.004 19 0 "[ . 1 . 2 . 3]"
1 120 GLY 0.052 0.005 28 0 "[ . 1 . 2 . 3]"
1 126 THR 0.227 0.019 15 0 "[ . 1 . 2 . 3]"
1 128 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 131 LEU 0.002 0.002 29 0 "[ . 1 . 2 . 3]"
1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 133 TRP 0.002 0.002 29 0 "[ . 1 . 2 . 3]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 136 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 137 THR 0.035 0.009 11 0 "[ . 1 . 2 . 3]"
1 139 VAL 0.002 0.001 4 0 "[ . 1 . 2 . 3]"
1 140 SER 0.869 0.032 27 0 "[ . 1 . 2 . 3]"
1 142 ARG 0.050 0.005 14 0 "[ . 1 . 2 . 3]"
1 144 VAL 0.023 0.009 21 0 "[ . 1 . 2 . 3]"
1 148 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 149 PRO 0.011 0.005 5 0 "[ . 1 . 2 . 3]"
1 150 ALA 0.052 0.005 28 0 "[ . 1 . 2 . 3]"
1 151 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 152 THR 0.024 0.005 5 0 "[ . 1 . 2 . 3]"
1 153 HIS 0.086 0.025 4 0 "[ . 1 . 2 . 3]"
1 154 THR 0.139 0.011 4 0 "[ . 1 . 2 . 3]"
1 155 TYR 0.050 0.005 14 0 "[ . 1 . 2 . 3]"
1 156 GLU 0.294 0.019 8 0 "[ . 1 . 2 . 3]"
1 157 VAL 0.870 0.032 27 0 "[ . 1 . 2 . 3]"
1 158 TRP 0.007 0.005 18 0 "[ . 1 . 2 . 3]"
1 159 GLN 0.035 0.009 11 0 "[ . 1 . 2 . 3]"
1 160 LYS 0.003 0.002 3 0 "[ . 1 . 2 . 3]"
2 1 NDP 0.228 0.024 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 3 PHE H 1 112 THR O 2.300 . 2.500 2.491 2.393 2.514 0.014 21 0 "[ . 1 . 2 . 3]" 2
2 1 3 PHE N 1 112 THR O 3.300 2.600 3.500 3.282 3.142 3.376 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 4 LEU H 1 96 ILE O 2.300 . 2.500 1.957 1.771 2.365 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 4 LEU N 1 96 ILE O 3.300 2.600 3.500 2.912 2.739 3.330 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 5 TRP H 1 114 LEU O 2.300 . 2.500 2.512 2.502 2.525 0.025 1 0 "[ . 1 . 2 . 3]" 2
6 1 5 TRP N 1 114 LEU O 3.300 2.600 3.500 3.391 3.370 3.407 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 7 GLN N 1 116 THR O 3.300 2.600 3.500 2.866 2.722 2.964 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 38 ILE H 1 93 GLU O 2.300 . 2.500 2.421 2.006 2.505 0.005 4 0 "[ . 1 . 2 . 3]" 2
9 1 38 ILE N 1 93 GLU O 3.300 2.600 3.500 3.273 2.910 3.386 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 39 MET H 1 58 THR O 2.300 . 2.500 2.111 1.946 2.439 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 39 MET N 1 58 THR O 3.300 2.600 3.500 3.048 2.826 3.403 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 40 VAL H 1 95 VAL O 2.300 . 2.500 1.957 1.678 2.299 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 40 VAL N 1 95 VAL O 3.300 2.600 3.500 2.861 2.646 3.131 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 41 VAL H 1 60 VAL O 2.300 . 2.500 1.848 1.642 2.184 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 41 VAL N 1 60 VAL O 3.300 2.600 3.500 2.691 2.595 2.916 0.005 17 0 "[ . 1 . 2 . 3]" 2
16 1 42 GLY H 1 98 GLY O 2.300 . 2.500 1.939 1.749 2.242 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 42 GLY N 1 98 GLY O 3.300 2.600 3.500 2.621 2.593 2.820 0.007 23 0 "[ . 1 . 2 . 3]" 2
18 1 37 LYS O 1 58 THR H 2.300 . 2.500 2.056 1.755 2.370 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 37 LYS O 1 58 THR N 3.300 2.600 3.500 2.904 2.605 3.320 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 39 MET O 1 60 VAL H 2.300 . 2.500 2.148 1.816 2.506 0.006 3 0 "[ . 1 . 2 . 3]" 2
21 1 39 MET O 1 60 VAL N 3.300 2.600 3.500 2.802 2.597 3.175 0.003 10 0 "[ . 1 . 2 . 3]" 2
22 1 61 VAL H 1 74 VAL O 2.300 . 2.500 1.676 1.625 1.783 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 61 VAL N 1 74 VAL O 3.300 2.600 3.500 2.609 2.589 2.734 0.011 30 0 "[ . 1 . 2 . 3]" 2
24 1 41 VAL O 1 62 LEU H 2.300 . 2.500 1.916 1.681 2.165 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 41 VAL O 1 62 LEU N 3.300 2.600 3.500 2.673 2.592 2.800 0.008 2 0 "[ . 1 . 2 . 3]" 2
26 1 63 THR H 1 76 VAL O 2.300 . 2.500 2.247 2.097 2.506 0.006 2 0 "[ . 1 . 2 . 3]" 2
27 1 63 THR N 1 76 VAL O 3.300 2.600 3.500 3.109 2.969 3.329 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 70 ALA O 1 73 ALA N 3.300 2.600 3.500 3.378 3.265 3.408 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 70 ALA O 1 73 ALA H 2.300 . 2.500 2.497 2.347 2.510 0.010 27 0 "[ . 1 . 2 . 3]" 2
30 1 59 ASN O 1 74 VAL H 2.300 . 2.500 2.113 1.919 2.382 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 61 VAL O 1 76 VAL H 2.300 . 2.500 2.486 2.307 2.505 0.005 25 0 "[ . 1 . 2 . 3]" 2
32 1 61 VAL O 1 76 VAL N 3.300 2.600 3.500 3.261 3.122 3.329 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 38 ILE O 1 95 VAL H 2.300 . 2.500 2.328 2.018 2.503 0.003 20 0 "[ . 1 . 2 . 3]" 2
34 1 38 ILE O 1 95 VAL N 3.300 2.600 3.500 3.156 2.827 3.381 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 2 ALA O 1 96 ILE H 2.300 . 2.500 1.813 1.638 2.249 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 2 ALA O 1 96 ILE N 3.300 2.600 3.500 2.717 2.594 3.096 0.006 27 0 "[ . 1 . 2 . 3]" 2
37 1 40 VAL O 1 97 ALA H 2.500 . 3.000 2.261 2.034 2.512 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 40 VAL O 1 97 ALA N 3.500 2.500 4.000 3.225 2.961 3.440 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 40 VAL O 1 98 GLY H 2.500 . 3.000 2.974 2.827 3.008 0.008 3 0 "[ . 1 . 2 . 3]" 2
40 1 40 VAL O 1 98 GLY N 3.500 2.500 4.000 3.901 3.756 3.973 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 1 THR O 1 112 THR H 2.300 . 2.500 1.991 1.664 2.501 0.001 23 0 "[ . 1 . 2 . 3]" 2
42 1 1 THR O 1 112 THR N 3.300 2.600 3.500 2.910 2.599 3.398 0.001 25 0 "[ . 1 . 2 . 3]" 2
43 1 113 LEU H 1 158 TRP O 2.300 . 2.500 2.033 1.850 2.282 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 113 LEU N 1 158 TRP O 3.300 2.600 3.500 2.812 2.643 3.119 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 3 PHE O 1 114 LEU H 2.300 . 2.500 1.823 1.734 1.964 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 3 PHE O 1 114 LEU N 3.300 2.600 3.500 2.590 2.584 2.601 0.016 8 0 "[ . 1 . 2 . 3]" 2
47 1 115 VAL H 1 156 GLU O 2.300 . 2.500 2.508 2.471 2.519 0.019 8 0 "[ . 1 . 2 . 3]" 2
48 1 115 VAL N 1 156 GLU O 3.300 2.600 3.500 3.427 3.367 3.468 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 5 TRP O 1 116 THR H 2.300 . 2.500 2.260 2.137 2.404 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 5 TRP O 1 116 THR N 3.300 2.600 3.500 3.155 3.039 3.322 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 117 ARG H 1 154 THR O 2.300 . 2.500 2.291 2.056 2.500 0.000 22 0 "[ . 1 . 2 . 3]" 2
52 1 117 ARG N 1 154 THR O 3.300 2.600 3.500 3.214 2.935 3.422 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 7 GLN O 1 118 LEU H 2.300 . 2.500 1.654 1.621 1.734 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 7 GLN O 1 118 LEU N 3.300 2.600 3.500 2.626 2.593 2.712 0.007 27 0 "[ . 1 . 2 . 3]" 2
55 1 119 ALA H 1 152 THR O 2.300 . 2.500 2.080 1.765 2.380 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 119 ALA N 1 152 THR O 3.300 2.600 3.500 2.703 2.596 2.976 0.004 19 0 "[ . 1 . 2 . 3]" 2
57 1 137 THR H 1 159 GLN O 2.300 . 2.500 2.344 1.903 2.509 0.009 11 0 "[ . 1 . 2 . 3]" 2
58 1 137 THR N 1 159 GLN O 3.300 2.600 3.500 3.308 2.875 3.486 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 139 VAL H 1 157 VAL O 2.300 . 2.500 1.857 1.681 2.285 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 139 VAL N 1 157 VAL O 3.300 2.600 3.500 2.715 2.599 3.049 0.001 4 0 "[ . 1 . 2 . 3]" 2
61 1 140 SER H 1 157 VAL O 2.300 . 2.500 2.525 2.516 2.532 0.032 27 0 "[ . 1 . 2 . 3]" 2
62 1 140 SER N 1 157 VAL O 3.300 2.600 3.500 3.494 3.477 3.513 0.013 30 0 "[ . 1 . 2 . 3]" 2
63 1 142 ARG H 1 155 TYR O 2.300 . 2.500 1.708 1.625 1.917 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 142 ARG N 1 155 TYR O 3.300 2.600 3.500 2.642 2.595 2.768 0.005 14 0 "[ . 1 . 2 . 3]" 2
65 1 144 VAL H 1 153 HIS O 2.300 . 2.500 1.925 1.730 2.250 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 144 VAL N 1 153 HIS O 3.300 2.600 3.500 2.711 2.597 2.903 0.003 22 0 "[ . 1 . 2 . 3]" 2
67 1 144 VAL O 1 153 HIS H 2.300 . 2.500 1.847 1.748 2.042 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 144 VAL O 1 153 HIS N 3.300 2.600 3.500 2.678 2.591 2.934 0.009 21 0 "[ . 1 . 2 . 3]" 2
69 1 117 ARG O 1 154 THR H 2.300 . 2.500 2.496 2.233 2.511 0.011 4 0 "[ . 1 . 2 . 3]" 2
70 1 117 ARG O 1 154 THR N 3.300 2.600 3.500 3.189 3.003 3.297 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 142 ARG O 1 155 TYR H 2.300 . 2.500 1.796 1.673 2.036 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 142 ARG O 1 155 TYR N 3.300 2.600 3.500 2.629 2.595 2.740 0.005 10 0 "[ . 1 . 2 . 3]" 2
73 1 115 VAL O 1 156 GLU H 2.300 . 2.500 2.410 2.311 2.492 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 115 VAL O 1 156 GLU N 3.300 2.600 3.500 3.322 3.199 3.441 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 140 SER O 1 157 VAL H 2.300 . 2.500 1.645 1.619 1.685 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 140 SER O 1 157 VAL N 3.300 2.600 3.500 2.617 2.593 2.662 0.007 3 0 "[ . 1 . 2 . 3]" 2
77 1 113 LEU O 1 158 TRP H 2.300 . 2.500 2.312 2.141 2.505 0.005 18 0 "[ . 1 . 2 . 3]" 2
78 1 113 LEU O 1 158 TRP N 3.300 2.600 3.500 2.957 2.802 3.054 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 137 THR O 1 159 GLN H 2.300 . 2.500 2.018 1.851 2.279 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 137 THR O 1 159 GLN N 3.300 2.600 3.500 2.976 2.807 3.245 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 111 ASP O 1 160 LYS H 2.300 . 2.500 2.175 1.822 2.502 0.002 3 0 "[ . 1 . 2 . 3]" 2
82 1 111 ASP O 1 160 LYS N 3.300 2.600 3.500 3.096 2.763 3.411 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 23 LEU O 1 26 ASP H 2.300 . 2.500 2.488 2.203 2.506 0.006 12 0 "[ . 1 . 2 . 3]" 2
84 1 23 LEU O 1 26 ASP N 3.300 2.600 3.500 3.164 2.936 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 23 LEU O 1 27 LEU H 2.300 . 2.500 2.187 1.778 2.471 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 23 LEU O 1 27 LEU N 3.300 2.600 3.500 3.150 2.752 3.432 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 25 ASP O 1 29 TYR H 2.300 . 2.500 2.251 1.738 2.503 0.003 21 0 "[ . 1 . 2 . 3]" 2
88 1 25 ASP O 1 29 TYR N 3.300 2.600 3.500 3.110 2.687 3.367 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 27 LEU O 1 30 PHE H 2.300 . 2.500 2.389 1.973 2.503 0.003 26 0 "[ . 1 . 2 . 3]" 2
90 1 27 LEU O 1 30 PHE N 3.300 2.600 3.500 2.992 2.700 3.205 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 28 HIS O 1 32 ALA H 2.300 . 2.500 2.207 1.798 2.500 0.000 15 0 "[ . 1 . 2 . 3]" 2
92 1 28 HIS O 1 32 ALA N 3.300 2.600 3.500 3.028 2.689 3.275 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 29 TYR O 1 33 GLN H 2.300 . 2.500 2.182 1.725 2.501 0.001 15 0 "[ . 1 . 2 . 3]" 2
94 1 29 TYR O 1 33 GLN N 3.300 2.600 3.500 2.974 2.623 3.273 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 33 GLN O 1 35 VAL H 2.300 . 2.500 2.502 2.425 2.511 0.011 17 0 "[ . 1 . 2 . 3]" 2
96 1 33 GLN O 1 35 VAL N 3.300 2.600 3.500 3.229 3.153 3.282 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 43 ARG H 1 62 LEU O 2.300 . 2.500 2.501 2.453 2.514 0.014 1 0 "[ . 1 . 2 . 3]" 2
98 1 43 ARG N 1 62 LEU O 3.300 2.600 3.500 2.898 2.752 3.025 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 42 GLY O 1 46 TYR H 2.300 . 2.500 1.972 1.715 2.496 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 42 GLY O 1 46 TYR N 3.300 2.600 3.500 2.929 2.670 3.468 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.513 2.503 2.528 0.028 26 0 "[ . 1 . 2 . 3]" 2
102 1 43 ARG O 1 47 GLU N 3.300 2.600 3.500 3.469 3.420 3.488 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 44 ARG O 1 48 SER H 2.300 . 2.500 2.334 1.965 2.503 0.003 3 0 "[ . 1 . 2 . 3]" 2
104 1 44 ARG O 1 48 SER N 3.300 2.600 3.500 2.957 2.667 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 45 THR O 1 49 PHE H 2.300 . 2.500 2.452 1.874 2.511 0.011 19 0 "[ . 1 . 2 . 3]" 2
106 1 45 THR O 1 49 PHE N 3.300 2.600 3.500 2.656 2.580 2.841 0.020 19 0 "[ . 1 . 2 . 3]" 2
107 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.371 2.191 2.506 0.006 2 0 "[ . 1 . 2 . 3]" 2
108 1 79 VAL O 1 83 PHE H 2.300 . 2.500 2.413 2.103 2.519 0.019 24 0 "[ . 1 . 2 . 3]" 2
109 1 79 VAL O 1 83 PHE N 3.300 2.600 3.500 3.265 2.899 3.468 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 80 ALA O 1 84 ALA H 2.300 . 2.500 2.228 1.977 2.396 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 80 ALA O 1 84 ALA N 3.300 2.600 3.500 3.100 2.884 3.240 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.412 2.122 2.513 0.013 17 0 "[ . 1 . 2 . 3]" 2
113 1 81 ALA O 1 85 TYR N 3.300 2.600 3.500 3.326 3.030 3.430 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 82 VAL O 1 86 ALA H 2.300 . 2.500 1.977 1.796 2.145 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 82 VAL O 1 86 ALA N 3.300 2.600 3.500 2.941 2.771 3.106 . 0 0 "[ . 1 . 2 . 3]" 2
116 1 83 PHE O 1 87 LYS H 2.300 . 2.500 2.272 2.078 2.400 . 0 0 "[ . 1 . 2 . 3]" 2
117 1 83 PHE O 1 87 LYS N 3.300 2.600 3.500 3.115 2.938 3.284 . 0 0 "[ . 1 . 2 . 3]" 2
118 1 84 ALA O 1 88 GLN H 2.300 . 2.500 2.189 1.916 2.424 . 0 0 "[ . 1 . 2 . 3]" 2
119 1 84 ALA O 1 88 GLN N 3.300 2.600 3.500 3.113 2.816 3.339 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 85 TYR O 1 89 HIS H 2.300 . 2.500 2.318 2.034 2.506 0.006 21 0 "[ . 1 . 2 . 3]" 2
121 1 85 TYR O 1 89 HIS N 3.300 2.600 3.500 3.064 2.782 3.182 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 99 GLY O 1 102 ILE H 2.300 . 2.500 2.502 2.490 2.506 0.006 1 0 "[ . 1 . 2 . 3]" 2
123 1 99 GLY O 1 102 ILE N 3.300 2.600 3.500 3.140 3.026 3.204 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 99 GLY O 1 103 PHE H 2.300 . 2.500 2.242 1.946 2.502 0.002 29 0 "[ . 1 . 2 . 3]" 2
125 1 99 GLY O 1 103 PHE N 3.300 2.600 3.500 3.136 2.846 3.432 . 0 0 "[ . 1 . 2 . 3]" 2
126 1 100 ALA O 1 104 THR H 2.300 . 2.500 2.343 2.045 2.503 0.003 21 0 "[ . 1 . 2 . 3]" 2
127 1 100 ALA O 1 104 THR N 3.300 2.600 3.500 3.223 2.904 3.448 . 0 0 "[ . 1 . 2 . 3]" 2
128 1 101 GLN O 1 105 ALA H 2.300 . 2.500 2.461 2.223 2.510 0.010 7 0 "[ . 1 . 2 . 3]" 2
129 1 101 GLN O 1 105 ALA N 3.300 2.600 3.500 3.414 3.188 3.485 . 0 0 "[ . 1 . 2 . 3]" 2
130 1 102 ILE O 1 106 PHE H 2.300 . 2.500 2.397 2.240 2.503 0.003 6 0 "[ . 1 . 2 . 3]" 2
131 1 102 ILE O 1 106 PHE N 3.300 2.600 3.500 3.358 3.203 3.475 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 103 PHE O 1 107 LYS H 2.300 . 2.500 2.102 1.882 2.454 . 0 0 "[ . 1 . 2 . 3]" 2
133 1 103 PHE O 1 107 LYS N 3.300 2.600 3.500 2.681 2.584 3.040 0.016 20 0 "[ . 1 . 2 . 3]" 2
134 1 8 ASP H 1 12 LEU O 2.300 . 2.800 2.717 2.389 2.823 0.023 4 0 "[ . 1 . 2 . 3]" 2
135 1 8 ASP N 1 12 LEU O 3.300 2.600 3.800 3.509 3.207 3.608 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 9 ARG H 1 118 LEU O 2.300 . 2.800 2.500 2.496 2.505 . 0 0 "[ . 1 . 2 . 3]" 2
137 1 9 ARG N 1 118 LEU O 3.300 2.600 3.800 3.141 2.827 3.293 . 0 0 "[ . 1 . 2 . 3]" 2
138 1 8 ASP O 1 11 GLY H 2.300 . 2.800 2.434 2.062 2.801 0.001 19 0 "[ . 1 . 2 . 3]" 2
139 1 8 ASP O 1 11 GLY N 3.300 2.600 3.800 3.153 2.966 3.288 . 0 0 "[ . 1 . 2 . 3]" 2
140 1 13 ILE H 1 126 THR O 2.500 . 3.000 2.581 2.317 2.811 . 0 0 "[ . 1 . 2 . 3]" 2
141 1 13 ILE N 1 126 THR O 3.500 2.500 4.000 3.119 2.888 3.378 . 0 0 "[ . 1 . 2 . 3]" 2
142 1 14 GLY N 1 126 THR O 3.500 2.500 4.000 3.950 3.646 3.983 . 0 0 "[ . 1 . 2 . 3]" 2
143 1 14 GLY H 1 126 THR O 2.500 . 3.000 2.997 2.682 3.019 0.019 15 0 "[ . 1 . 2 . 3]" 2
144 1 34 THR O 1 37 LYS H 2.500 . 3.000 2.995 2.855 3.010 0.010 15 0 "[ . 1 . 2 . 3]" 2
145 1 34 THR O 1 37 LYS N 3.500 2.500 4.000 3.937 3.788 3.981 . 0 0 "[ . 1 . 2 . 3]" 2
146 1 54 LEU O 1 57 ARG H 2.500 . 3.000 3.006 2.939 3.018 0.018 21 0 "[ . 1 . 2 . 3]" 2
147 1 54 LEU O 1 57 ARG N 3.500 2.500 4.000 3.756 3.681 3.879 . 0 0 "[ . 1 . 2 . 3]" 2
148 1 89 HIS O 1 92 GLN H 2.500 . 3.000 2.552 2.236 2.883 . 0 0 "[ . 1 . 2 . 3]" 2
149 1 89 HIS O 1 92 GLN N 3.500 2.500 4.000 3.443 3.153 3.659 . 0 0 "[ . 1 . 2 . 3]" 2
150 1 106 PHE O 1 109 ASP H 2.500 . 3.000 2.427 2.254 2.529 . 0 0 "[ . 1 . 2 . 3]" 2
151 1 106 PHE O 1 109 ASP N 3.500 2.500 4.000 2.782 2.660 2.854 . 0 0 "[ . 1 . 2 . 3]" 2
152 1 120 GLY H 1 150 ALA O 2.300 . 2.800 2.723 2.267 2.805 0.005 28 0 "[ . 1 . 2 . 3]" 2
153 1 120 GLY N 1 150 ALA O 3.300 2.600 3.800 3.629 3.166 3.761 . 0 0 "[ . 1 . 2 . 3]" 2
154 1 11 GLY O 1 128 MET H 2.300 . 2.800 2.551 2.174 2.779 . 0 0 "[ . 1 . 2 . 3]" 2
155 1 11 GLY O 1 128 MET N 3.300 2.600 3.800 3.365 3.075 3.601 . 0 0 "[ . 1 . 2 . 3]" 2
156 1 131 LEU O 1 133 TRP H 2.300 . 2.800 2.097 1.796 2.369 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 131 LEU O 1 133 TRP N 3.300 2.600 3.800 2.845 2.598 3.084 0.002 29 0 "[ . 1 . 2 . 3]" 2
158 1 132 ASN O 1 135 ASP H 2.300 . 2.800 2.517 2.391 2.745 . 0 0 "[ . 1 . 2 . 3]" 2
159 1 132 ASN O 1 135 ASP N 3.300 2.600 3.800 3.134 3.000 3.411 . 0 0 "[ . 1 . 2 . 3]" 2
160 1 133 TRP O 1 136 PHE H 2.300 . 2.800 1.933 1.852 2.038 . 0 0 "[ . 1 . 2 . 3]" 2
161 1 133 TRP O 1 136 PHE N 3.300 2.600 3.800 2.813 2.732 2.912 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 148 ASN O 1 151 LEU H 2.300 . 2.800 2.170 2.012 2.301 . 0 0 "[ . 1 . 2 . 3]" 2
163 1 148 ASN O 1 151 LEU N 3.300 2.600 3.800 3.003 2.846 3.116 . 0 0 "[ . 1 . 2 . 3]" 2
164 1 149 PRO O 1 152 THR H 2.300 . 2.800 2.709 2.436 2.805 0.005 5 0 "[ . 1 . 2 . 3]" 2
165 1 149 PRO O 1 152 THR N 3.300 2.600 3.800 3.611 3.316 3.724 . 0 0 "[ . 1 . 2 . 3]" 2
166 1 30 PHE O 1 34 THR HG1 2.300 . 2.500 1.946 1.656 2.505 0.005 4 0 "[ . 1 . 2 . 3]" 2
167 1 30 PHE O 1 34 THR OG1 3.300 2.600 3.500 2.677 2.594 3.027 0.006 14 0 "[ . 1 . 2 . 3]" 2
168 1 6 ALA H 2 1 NDP O7N 2.500 . 3.000 2.974 2.457 3.024 0.024 1 0 "[ . 1 . 2 . 3]" 2
169 1 6 ALA N 2 1 NDP O7N 3.500 2.500 4.000 3.939 3.425 3.993 . 0 0 "[ . 1 . 2 . 3]" 2
170 1 25 ASP OD1 1 153 HIS HD1 2.500 . 3.000 2.147 1.738 2.383 . 0 0 "[ . 1 . 2 . 3]" 2
171 1 25 ASP OD1 1 153 HIS ND1 3.500 2.500 4.000 2.660 2.475 3.270 0.025 4 0 "[ . 1 . 2 . 3]" 2
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