NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534354 |
2lkc   |
6946 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkc
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 1475
_Distance_constraint_stats_list.Viol_count 4370
_Distance_constraint_stats_list.Viol_total 8861.643
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0532
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1014
_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 11 VAL 1.836 0.249 4 0 "[ . 1 . 2]"
1 12 THR 0.065 0.031 7 0 "[ . 1 . 2]"
1 13 ILE 1.660 0.114 8 0 "[ . 1 . 2]"
1 14 MET 6.773 0.585 6 2 "[ -.+ 1 . 2]"
1 15 GLY 5.641 0.585 6 2 "[ -.+ 1 . 2]"
1 16 HIS 8.108 0.280 4 0 "[ . 1 . 2]"
1 17 VAL 0.034 0.027 18 0 "[ . 1 . 2]"
1 18 ASP 0.006 0.006 1 0 "[ . 1 . 2]"
1 19 HIS 1.257 0.076 1 0 "[ . 1 . 2]"
1 20 GLY 1.270 0.090 18 0 "[ . 1 . 2]"
1 21 LYS 6.528 0.727 17 2 "[ - 1 . + 2]"
1 22 THR 1.338 0.125 1 0 "[ . 1 . 2]"
1 23 THR 1.115 0.105 7 0 "[ . 1 . 2]"
1 24 LEU 6.631 0.727 17 2 "[ - 1 . + 2]"
1 25 LEU 4.351 0.203 3 0 "[ . 1 . 2]"
1 26 ASP 7.167 0.275 8 0 "[ . 1 . 2]"
1 27 ALA 1.906 0.164 3 0 "[ . 1 . 2]"
1 28 ILE 6.791 0.270 19 0 "[ . 1 . 2]"
1 29 ARG 6.378 0.457 9 0 "[ . 1 . 2]"
1 30 HIS 14.815 0.457 9 0 "[ . 1 . 2]"
1 31 SER 3.037 0.190 5 0 "[ . 1 . 2]"
1 32 LYS 1.194 0.562 5 1 "[ + 1 . 2]"
1 33 VAL 3.891 0.562 5 1 "[ + 1 . 2]"
1 34 THR 4.419 0.240 15 0 "[ . 1 . 2]"
1 35 GLU 2.062 0.205 16 0 "[ . 1 . 2]"
1 36 GLN 3.830 0.911 16 3 "[ . *1- .+ 2]"
1 37 GLU 1.432 0.344 11 0 "[ . 1 . 2]"
1 38 ALA 1.413 0.203 20 0 "[ . 1 . 2]"
1 39 GLY 2.065 0.346 9 0 "[ . 1 . 2]"
1 40 GLY 1.932 0.346 9 0 "[ . 1 . 2]"
1 41 ILE 3.748 0.899 2 2 "[ + . - . 2]"
1 42 THR 0.922 0.095 9 0 "[ . 1 . 2]"
1 44 HIS 0.750 0.071 15 0 "[ . 1 . 2]"
1 45 ILE 2.407 0.238 13 0 "[ . 1 . 2]"
1 46 GLY 3.375 0.238 13 0 "[ . 1 . 2]"
1 47 ALA 1.227 0.110 20 0 "[ . 1 . 2]"
1 48 TYR 11.313 0.570 16 1 "[ . 1 .+ 2]"
1 49 GLN 8.357 0.570 16 1 "[ . 1 .+ 2]"
1 50 VAL 5.555 0.264 1 0 "[ . 1 . 2]"
1 51 THR 7.553 0.277 14 0 "[ . 1 . 2]"
1 52 VAL 4.038 0.274 14 0 "[ . 1 . 2]"
1 53 ASN 14.979 0.520 14 1 "[ . 1 +. 2]"
1 54 ASP 14.820 0.649 1 1 "[+ . 1 . 2]"
1 55 LYS 1.227 0.274 14 0 "[ . 1 . 2]"
1 57 ILE 2.036 0.138 9 0 "[ . 1 . 2]"
1 58 THR 0.222 0.149 18 0 "[ . 1 . 2]"
1 59 PHE 4.611 0.212 4 0 "[ . 1 . 2]"
1 60 LEU 0.117 0.085 8 0 "[ . 1 . 2]"
1 68 PHE 2.154 0.158 3 0 "[ . 1 . 2]"
1 71 MET 0.368 0.080 16 0 "[ . 1 . 2]"
1 81 ILE 1.786 0.117 4 0 "[ . 1 . 2]"
1 82 VAL 9.294 0.285 13 0 "[ . 1 . 2]"
1 83 ILE 7.831 0.310 8 0 "[ . 1 . 2]"
1 84 LEU 14.106 0.369 8 0 "[ . 1 . 2]"
1 85 VAL 0.366 0.083 13 0 "[ . 1 . 2]"
1 86 VAL 0.410 0.154 15 0 "[ . 1 . 2]"
1 87 ALA 2.147 0.180 5 0 "[ . 1 . 2]"
1 88 ALA 3.177 0.177 9 0 "[ . 1 . 2]"
1 89 ASP 1.084 0.148 5 0 "[ . 1 . 2]"
1 90 ASP 3.258 0.183 1 0 "[ . 1 . 2]"
1 91 GLY 2.070 0.087 3 0 "[ . 1 . 2]"
1 92 VAL 9.929 0.759 19 2 "[ . 1 . - +2]"
1 93 MET 8.502 0.759 19 2 "[ . 1 . - +2]"
1 94 PRO 1.580 0.104 7 0 "[ . 1 . 2]"
1 95 GLN 8.438 0.205 2 0 "[ . 1 . 2]"
1 96 THR 6.015 0.542 19 2 "[ . 1 . - +2]"
1 97 VAL 1.769 0.147 13 0 "[ . 1 . 2]"
1 98 GLU 1.600 0.174 2 0 "[ . 1 . 2]"
1 99 ALA 4.523 0.174 2 0 "[ . 1 . 2]"
1 100 ILE 17.268 0.329 1 0 "[ . 1 . 2]"
1 101 ASN 4.151 0.390 20 0 "[ . 1 . 2]"
1 102 HIS 3.332 0.158 3 0 "[ . 1 . 2]"
1 103 ALA 4.589 0.224 20 0 "[ . 1 . 2]"
1 104 LYS 8.860 0.875 3 9 "[*-+** * 1 * .** 2]"
1 105 ALA 2.864 0.233 15 0 "[ . 1 . 2]"
1 106 ALA 0.082 0.082 20 0 "[ . 1 . 2]"
1 107 ASN 0.047 0.047 6 0 "[ . 1 . 2]"
1 108 VAL 7.942 0.269 9 0 "[ . 1 . 2]"
1 109 PRO 7.451 0.256 12 0 "[ . 1 . 2]"
1 110 ILE 4.559 0.256 12 0 "[ . 1 . 2]"
1 111 ILE 21.406 0.369 8 0 "[ . 1 . 2]"
1 112 VAL 5.133 0.232 16 0 "[ . 1 . 2]"
1 113 ALA 7.688 0.503 1 1 "[+ . 1 . 2]"
1 114 ILE 15.585 0.503 1 1 "[+ . 1 . 2]"
1 115 ASN 3.595 0.180 5 0 "[ . 1 . 2]"
1 116 LYS 0.173 0.109 10 0 "[ . 1 . 2]"
1 117 MET 9.488 0.573 11 1 "[ . 1+ . 2]"
1 118 ASP 4.202 0.370 4 0 "[ . 1 . 2]"
1 119 LYS 1.934 0.333 10 0 "[ . 1 . 2]"
1 120 PRO 3.648 0.333 10 0 "[ . 1 . 2]"
1 121 GLU 9.264 0.354 8 0 "[ . 1 . 2]"
1 122 ALA 4.167 0.252 20 0 "[ . 1 . 2]"
1 123 ASN 2.914 0.354 8 0 "[ . 1 . 2]"
1 124 PRO 6.439 0.401 11 0 "[ . 1 . 2]"
1 125 ASP 7.823 0.401 11 0 "[ . 1 . 2]"
1 126 ARG 3.051 0.147 19 0 "[ . 1 . 2]"
1 127 VAL 3.042 0.147 19 0 "[ . 1 . 2]"
1 128 MET 0.049 0.047 4 0 "[ . 1 . 2]"
1 129 GLN 2.657 0.119 12 0 "[ . 1 . 2]"
1 130 GLU 3.045 0.840 7 3 "[ . + 1 -* . 2]"
1 131 LEU 19.462 0.840 7 3 "[ . + 1 -* . 2]"
1 132 MET 9.204 0.180 11 0 "[ . 1 . 2]"
1 133 GLU 4.311 0.358 15 0 "[ . 1 . 2]"
1 134 TYR 21.067 0.358 15 0 "[ . 1 . 2]"
1 135 ASN 5.307 0.179 7 0 "[ . 1 . 2]"
1 136 LEU 4.615 0.282 19 0 "[ . 1 . 2]"
1 137 VAL 9.761 0.313 9 0 "[ . 1 . 2]"
1 138 PRO 10.819 0.263 12 0 "[ . 1 . 2]"
1 139 GLU 17.049 0.516 17 1 "[ . 1 . + 2]"
1 140 GLU 12.279 0.487 9 0 "[ . 1 . 2]"
1 141 TRP 34.793 0.412 8 0 "[ . 1 . 2]"
1 142 GLY 7.865 0.263 12 0 "[ . 1 . 2]"
1 143 GLY 3.315 0.143 20 0 "[ . 1 . 2]"
1 144 ASP 5.595 0.313 9 0 "[ . 1 . 2]"
1 145 THR 9.567 0.516 17 1 "[ . 1 . + 2]"
1 146 ILE 1.706 0.121 12 0 "[ . 1 . 2]"
1 147 PHE 1.656 0.089 10 0 "[ . 1 . 2]"
1 148 CYS 0.608 0.085 13 0 "[ . 1 . 2]"
1 149 LYS 0.647 0.099 3 0 "[ . 1 . 2]"
1 150 LEU 7.142 0.573 11 1 "[ . 1+ . 2]"
1 151 SER 8.584 0.405 10 0 "[ . 1 . 2]"
1 152 ALA 1.820 0.111 6 0 "[ . 1 . 2]"
1 153 LYS 12.976 0.418 3 0 "[ . 1 . 2]"
1 154 THR 5.482 0.242 12 0 "[ . 1 . 2]"
1 155 LYS 6.972 0.418 3 0 "[ . 1 . 2]"
1 156 GLU 1.953 0.402 5 0 "[ . 1 . 2]"
1 157 GLY 3.231 0.186 17 0 "[ . 1 . 2]"
1 158 LEU 2.195 0.184 15 0 "[ . 1 . 2]"
1 159 ASP 4.158 0.503 19 1 "[ . 1 . +2]"
1 160 HIS 0.708 0.045 17 0 "[ . 1 . 2]"
1 161 LEU 4.940 0.503 19 1 "[ . 1 . +2]"
1 162 LEU 3.841 0.139 13 0 "[ . 1 . 2]"
1 163 GLU 1.344 0.265 7 0 "[ . 1 . 2]"
1 164 MET 1.081 0.054 17 0 "[ . 1 . 2]"
1 165 ILE 8.463 0.198 11 0 "[ . 1 . 2]"
1 166 LEU 4.198 0.236 12 0 "[ . 1 . 2]"
1 167 LEU 1.230 0.129 11 0 "[ . 1 . 2]"
1 168 VAL 6.737 0.215 17 0 "[ . 1 . 2]"
1 169 SER 0.132 0.056 17 0 "[ . 1 . 2]"
1 170 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 MET 2.972 0.443 20 0 "[ . 1 . 2]"
1 172 GLU 4.898 0.443 20 0 "[ . 1 . 2]"
1 173 GLU 0.051 0.051 14 0 "[ . 1 . 2]"
1 174 LEU 4.664 0.567 6 1 "[ .+ 1 . 2]"
1 175 LYS 7.502 0.981 3 4 "[ + .* 1 -.* 2]"
1 176 ALA 3.804 0.981 3 2 "[ + . 1 .- 2]"
1 177 ASN 0.215 0.066 15 0 "[ . 1 . 2]"
1 178 PRO 0.215 0.066 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 VAL H 1 57 ILE MG 0.000 . 3.500 3.529 3.190 3.638 0.138 9 0 "[ . 1 . 2]" 1
2 1 11 VAL H 1 11 VAL QG 0.000 . 3.500 2.372 1.827 2.935 . 0 0 "[ . 1 . 2]" 1
3 1 11 VAL H 1 58 THR HG1 0.000 . 5.000 4.076 2.321 4.434 . 0 0 "[ . 1 . 2]" 1
4 1 11 VAL H 1 11 VAL HB 0.000 . 3.500 2.590 2.269 3.749 0.249 4 0 "[ . 1 . 2]" 1
5 1 11 VAL H 1 58 THR HB 0.000 . 5.000 3.483 2.983 5.037 0.037 9 0 "[ . 1 . 2]" 1
6 1 11 VAL H 1 58 THR HA 0.000 . 5.000 4.853 4.629 5.149 0.149 18 0 "[ . 1 . 2]" 1
7 1 11 VAL H 1 60 LEU H 0.000 . 5.000 3.978 3.127 4.759 . 0 0 "[ . 1 . 2]" 1
8 1 13 ILE H 1 60 LEU QD 0.000 . 5.000 3.629 1.648 5.085 0.085 8 0 "[ . 1 . 2]" 1
9 1 12 THR HG1 1 13 ILE H 0.000 . 3.500 2.749 2.383 3.092 . 0 0 "[ . 1 . 2]" 1
10 1 13 ILE H 1 13 ILE HB 0.000 . 3.500 2.533 2.481 2.617 . 0 0 "[ . 1 . 2]" 1
11 1 12 THR HB 1 13 ILE H 0.000 . 5.000 4.180 3.963 4.370 . 0 0 "[ . 1 . 2]" 1
12 1 12 THR HA 1 13 ILE H 0.000 . 3.500 2.170 2.137 2.234 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE H 1 14 MET H 0.000 . 5.000 4.432 4.360 4.587 . 0 0 "[ . 1 . 2]" 1
14 1 14 MET H 1 83 ILE MG 0.000 . 5.000 4.058 3.263 4.929 . 0 0 "[ . 1 . 2]" 1
15 1 13 ILE MD 1 14 MET H 0.000 . 5.000 4.896 3.798 5.114 0.114 8 0 "[ . 1 . 2]" 1
16 1 13 ILE MG 1 14 MET H 0.000 . 3.500 2.836 2.653 3.608 0.108 12 0 "[ . 1 . 2]" 1
17 1 14 MET H 1 83 ILE HG13 0.000 . 5.000 4.478 2.838 5.166 0.166 2 0 "[ . 1 . 2]" 1
18 1 14 MET H 1 83 ILE HG12 0.000 . 5.000 4.901 4.146 5.168 0.168 3 0 "[ . 1 . 2]" 1
19 1 14 MET H 1 14 MET HB2 0.000 . 3.500 2.622 2.334 2.835 . 0 0 "[ . 1 . 2]" 1
20 1 14 MET H 1 83 ILE HB 0.000 . 3.500 3.004 2.678 3.656 0.156 5 0 "[ . 1 . 2]" 1
21 1 14 MET H 1 14 MET QG 0.000 . 5.000 3.241 2.886 4.080 . 0 0 "[ . 1 . 2]" 1
22 1 14 MET H 1 84 LEU HA 0.000 . 5.000 3.326 3.051 3.696 . 0 0 "[ . 1 . 2]" 1
23 1 13 ILE HA 1 14 MET H 0.000 . 3.500 2.120 2.055 2.227 . 0 0 "[ . 1 . 2]" 1
24 1 14 MET H 1 83 ILE H 0.000 . 5.000 3.587 2.967 3.900 . 0 0 "[ . 1 . 2]" 1
25 1 14 MET H 1 15 GLY H 0.000 . 5.000 4.435 4.386 4.495 . 0 0 "[ . 1 . 2]" 1
26 1 14 MET H 1 85 VAL H 0.000 . 5.000 3.694 3.239 4.102 . 0 0 "[ . 1 . 2]" 1
27 1 14 MET HB2 1 15 GLY H 0.000 . 3.500 3.531 3.245 4.085 0.585 6 2 "[ -.+ 1 . 2]" 1
28 1 14 MET HB3 1 15 GLY H 0.000 . 5.000 2.212 1.908 2.875 . 0 0 "[ . 1 . 2]" 1
29 1 14 MET QG 1 15 GLY H 0.000 . 5.000 3.712 2.721 4.341 . 0 0 "[ . 1 . 2]" 1
30 1 14 MET HA 1 15 GLY H 0.000 . 2.700 2.531 2.292 2.728 0.028 11 0 "[ . 1 . 2]" 1
31 1 16 HIS H 1 16 HIS QB 0.000 . 2.700 2.634 2.252 2.885 0.185 1 0 "[ . 1 . 2]" 1
32 1 15 GLY QA 1 16 HIS H 0.000 . 3.500 2.098 2.029 2.502 . 0 0 "[ . 1 . 2]" 1
33 1 15 GLY H 1 16 HIS H 0.000 . 3.500 3.643 2.394 3.780 0.280 4 0 "[ . 1 . 2]" 1
34 1 18 ASP QB 1 19 HIS H 0.000 . 3.500 3.055 2.808 3.345 . 0 0 "[ . 1 . 2]" 1
35 1 19 HIS H 1 19 HIS HB3 0.000 . 3.500 3.559 3.525 3.576 0.076 1 0 "[ . 1 . 2]" 1
36 1 19 HIS H 1 19 HIS HB2 0.000 . 3.500 2.333 2.232 2.416 . 0 0 "[ . 1 . 2]" 1
37 1 18 ASP HA 1 19 HIS H 0.000 . 3.500 3.441 3.343 3.506 0.006 1 0 "[ . 1 . 2]" 1
38 1 19 HIS H 1 20 GLY H 0.000 . 3.500 2.610 2.457 2.828 . 0 0 "[ . 1 . 2]" 1
39 1 19 HIS HB2 1 20 GLY H 0.000 . 3.500 3.049 2.199 3.520 0.020 20 0 "[ . 1 . 2]" 1
40 1 18 ASP HA 1 20 GLY H 0.000 . 5.000 3.859 3.312 4.966 . 0 0 "[ . 1 . 2]" 1
41 1 19 HIS HA 1 20 GLY H 0.000 . 5.000 3.438 3.274 3.559 . 0 0 "[ . 1 . 2]" 1
42 1 20 GLY H 1 21 LYS H 0.000 . 3.500 2.376 1.876 2.733 . 0 0 "[ . 1 . 2]" 1
43 1 21 LYS H 1 22 THR HG1 0.000 . 3.500 3.530 3.261 3.625 0.125 1 0 "[ . 1 . 2]" 1
44 1 21 LYS H 1 21 LYS QB 0.000 . 3.500 2.525 2.215 2.808 . 0 0 "[ . 1 . 2]" 1
45 1 20 GLY HA3 1 21 LYS H 0.000 . 3.500 3.561 3.493 3.590 0.090 18 0 "[ . 1 . 2]" 1
46 1 22 THR H 1 22 THR HG1 0.000 . 3.500 1.984 1.858 2.249 . 0 0 "[ . 1 . 2]" 1
47 1 21 LYS H 1 22 THR H 0.000 . 3.500 2.385 2.118 2.688 . 0 0 "[ . 1 . 2]" 1
48 1 22 THR H 1 23 THR H 0.000 . 5.000 2.517 2.287 2.625 . 0 0 "[ . 1 . 2]" 1
49 1 23 THR H 1 23 THR HG1 0.000 . 2.700 2.357 1.924 2.764 0.064 4 0 "[ . 1 . 2]" 1
50 1 20 GLY HA3 1 23 THR H 0.000 . 5.000 4.126 3.559 4.907 . 0 0 "[ . 1 . 2]" 1
51 1 22 THR HA 1 23 THR H 0.000 . 3.500 3.493 3.342 3.541 0.041 11 0 "[ . 1 . 2]" 1
52 1 24 LEU H 1 24 LEU QD 0.000 . 5.000 3.241 1.982 3.779 . 0 0 "[ . 1 . 2]" 1
53 1 23 THR HG1 1 24 LEU H 0.000 . 3.500 2.997 2.400 3.564 0.064 1 0 "[ . 1 . 2]" 1
54 1 21 LYS HB2 1 24 LEU H 0.000 . 5.000 5.216 4.865 5.727 0.727 17 2 "[ - 1 . + 2]" 1
55 1 21 LYS HA 1 24 LEU H 0.000 . 5.000 3.352 3.052 3.936 . 0 0 "[ . 1 . 2]" 1
56 1 23 THR HA 1 24 LEU H 0.000 . 3.500 3.482 3.417 3.534 0.034 19 0 "[ . 1 . 2]" 1
57 1 24 LEU H 1 25 LEU H 0.000 . 3.500 2.629 2.395 2.893 . 0 0 "[ . 1 . 2]" 1
58 1 23 THR H 1 24 LEU H 0.000 . 5.000 2.506 2.364 2.665 . 0 0 "[ . 1 . 2]" 1
59 1 24 LEU H 1 26 ASP H 0.000 . 5.000 3.857 3.638 4.077 . 0 0 "[ . 1 . 2]" 1
60 1 25 LEU H 1 25 LEU HB2 0.000 . 3.500 2.145 2.016 2.293 . 0 0 "[ . 1 . 2]" 1
61 1 25 LEU H 1 25 LEU HB3 0.000 . 3.500 3.009 2.627 3.540 0.040 16 0 "[ . 1 . 2]" 1
62 1 22 THR HA 1 25 LEU H 0.000 . 3.500 3.446 3.048 3.535 0.035 2 0 "[ . 1 . 2]" 1
63 1 25 LEU H 1 26 ASP H 0.000 . 3.500 2.678 2.519 2.808 . 0 0 "[ . 1 . 2]" 1
64 1 25 LEU QD 1 26 ASP H 0.000 . 5.000 3.789 3.215 4.316 . 0 0 "[ . 1 . 2]" 1
65 1 22 THR HG1 1 26 ASP H 0.000 . 5.000 4.399 3.738 5.014 0.014 1 0 "[ . 1 . 2]" 1
66 1 25 LEU HB2 1 26 ASP H 0.000 . 3.500 3.441 2.835 3.639 0.139 6 0 "[ . 1 . 2]" 1
67 1 25 LEU HB3 1 26 ASP H 0.000 . 3.500 2.833 2.399 3.611 0.111 15 0 "[ . 1 . 2]" 1
68 1 26 ASP H 1 26 ASP HB2 0.000 . 3.500 2.598 2.151 2.827 . 0 0 "[ . 1 . 2]" 1
69 1 26 ASP H 1 26 ASP HB3 0.000 . 3.500 2.534 2.276 3.484 . 0 0 "[ . 1 . 2]" 1
70 1 25 LEU HA 1 26 ASP H 0.000 . 5.000 3.531 3.442 3.563 . 0 0 "[ . 1 . 2]" 1
71 1 23 THR HA 1 26 ASP H 0.000 . 3.500 3.284 2.887 3.505 0.005 12 0 "[ . 1 . 2]" 1
72 1 26 ASP H 1 27 ALA H 0.000 . 3.500 2.757 2.520 2.984 . 0 0 "[ . 1 . 2]" 1
73 1 24 LEU QD 1 27 ALA H 0.000 . 5.000 4.699 4.255 4.913 . 0 0 "[ . 1 . 2]" 1
74 1 27 ALA H 1 27 ALA MB 0.000 . 3.500 2.242 2.219 2.272 . 0 0 "[ . 1 . 2]" 1
75 1 26 ASP HB2 1 27 ALA H 0.000 . 5.000 3.725 2.522 3.945 . 0 0 "[ . 1 . 2]" 1
76 1 26 ASP HB3 1 27 ALA H 0.000 . 5.000 2.406 2.237 2.805 . 0 0 "[ . 1 . 2]" 1
77 1 24 LEU HA 1 27 ALA H 0.000 . 5.000 3.674 3.013 3.912 . 0 0 "[ . 1 . 2]" 1
78 1 26 ASP HA 1 27 ALA H 0.000 . 5.000 3.557 3.544 3.576 . 0 0 "[ . 1 . 2]" 1
79 1 27 ALA H 1 28 ILE H 0.000 . 3.500 2.601 2.520 2.671 . 0 0 "[ . 1 . 2]" 1
80 1 28 ILE H 1 28 ILE MD 0.000 . 5.000 4.038 3.576 4.229 . 0 0 "[ . 1 . 2]" 1
81 1 27 ALA MB 1 28 ILE H 0.000 . 3.500 2.637 2.460 2.865 . 0 0 "[ . 1 . 2]" 1
82 1 28 ILE H 1 28 ILE HB 0.000 . 3.500 2.282 2.130 2.573 . 0 0 "[ . 1 . 2]" 1
83 1 25 LEU HA 1 28 ILE H 0.000 . 5.000 3.793 3.237 4.292 . 0 0 "[ . 1 . 2]" 1
84 1 24 LEU HA 1 28 ILE H 0.000 . 5.000 3.805 3.072 4.365 . 0 0 "[ . 1 . 2]" 1
85 1 27 ALA HA 1 28 ILE H 0.000 . 5.000 3.497 3.447 3.530 . 0 0 "[ . 1 . 2]" 1
86 1 26 ASP HA 1 28 ILE H 0.000 . 5.000 4.413 4.189 4.739 . 0 0 "[ . 1 . 2]" 1
87 1 29 ARG HG2 1 30 HIS H 0.000 . 5.000 4.358 2.219 5.067 0.067 14 0 "[ . 1 . 2]" 1
88 1 29 ARG HG3 1 30 HIS H 0.000 . 5.000 3.879 2.613 4.909 . 0 0 "[ . 1 . 2]" 1
89 1 29 ARG HB2 1 30 HIS H 0.000 . 5.000 3.358 2.535 4.197 . 0 0 "[ . 1 . 2]" 1
90 1 29 ARG HB3 1 30 HIS H 0.000 . 3.500 3.503 2.739 3.957 0.457 9 0 "[ . 1 . 2]" 1
91 1 27 ALA MB 1 30 HIS H 0.000 . 5.000 4.403 4.223 4.683 . 0 0 "[ . 1 . 2]" 1
92 1 30 HIS H 1 30 HIS HB2 0.000 . 3.500 2.287 2.085 2.468 . 0 0 "[ . 1 . 2]" 1
93 1 30 HIS H 1 30 HIS HB3 0.000 . 3.500 3.318 2.579 3.596 0.096 1 0 "[ . 1 . 2]" 1
94 1 29 ARG HA 1 30 HIS H 0.000 . 5.000 3.471 3.409 3.516 . 0 0 "[ . 1 . 2]" 1
95 1 30 HIS H 1 31 SER HB2 0.000 . 5.000 4.501 4.143 4.840 . 0 0 "[ . 1 . 2]" 1
96 1 27 ALA HA 1 30 HIS H 0.000 . 5.000 3.274 2.964 3.594 . 0 0 "[ . 1 . 2]" 1
97 1 30 HIS H 1 30 HIS HD2 0.000 . 5.000 4.158 2.537 5.052 0.052 10 0 "[ . 1 . 2]" 1
98 1 30 HIS H 1 31 SER H 0.000 . 3.500 2.600 2.363 2.850 . 0 0 "[ . 1 . 2]" 1
99 1 29 ARG QG 1 31 SER H 0.000 . 5.000 4.836 4.257 5.190 0.190 5 0 "[ . 1 . 2]" 1
100 1 29 ARG QB 1 31 SER H 0.000 . 5.000 4.378 4.139 4.741 . 0 0 "[ . 1 . 2]" 1
101 1 31 SER H 1 32 LYS QG 0.000 . 5.000 4.434 3.463 4.978 . 0 0 "[ . 1 . 2]" 1
102 1 30 HIS HB2 1 31 SER H 0.000 . 5.000 3.776 2.803 4.236 . 0 0 "[ . 1 . 2]" 1
103 1 30 HIS HB3 1 31 SER H 0.000 . 5.000 3.981 3.318 4.343 . 0 0 "[ . 1 . 2]" 1
104 1 28 ILE HA 1 31 SER H 0.000 . 5.000 3.554 3.179 3.987 . 0 0 "[ . 1 . 2]" 1
105 1 31 SER H 1 31 SER HB2 0.000 . 3.500 2.583 2.274 3.116 . 0 0 "[ . 1 . 2]" 1
106 1 30 HIS HA 1 31 SER H 0.000 . 3.500 3.207 3.078 3.435 . 0 0 "[ . 1 . 2]" 1
107 1 32 LYS H 1 32 LYS QG 0.000 . 5.000 2.712 1.787 3.583 . 0 0 "[ . 1 . 2]" 1
108 1 32 LYS H 1 32 LYS HD2 0.000 . 5.000 4.342 2.043 5.038 0.038 8 0 "[ . 1 . 2]" 1
109 1 32 LYS H 1 32 LYS QB 0.000 . 3.500 3.041 2.332 3.374 . 0 0 "[ . 1 . 2]" 1
110 1 31 SER HB2 1 32 LYS H 0.000 . 5.000 3.939 3.482 4.436 . 0 0 "[ . 1 . 2]" 1
111 1 31 SER HA 1 32 LYS H 0.000 . 5.000 3.148 2.636 3.593 . 0 0 "[ . 1 . 2]" 1
112 1 31 SER H 1 32 LYS H 0.000 . 5.000 2.447 2.139 2.775 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL H 1 33 VAL QG 0.000 . 3.500 2.387 1.811 3.262 . 0 0 "[ . 1 . 2]" 1
114 1 32 LYS QG 1 33 VAL H 0.000 . 5.000 3.808 2.693 4.439 . 0 0 "[ . 1 . 2]" 1
115 1 32 LYS HD2 1 33 VAL H 0.000 . 5.000 4.572 3.408 5.562 0.562 5 1 "[ + 1 . 2]" 1
116 1 32 LYS QB 1 33 VAL H 0.000 . 5.000 2.436 1.701 3.905 . 0 0 "[ . 1 . 2]" 1
117 1 33 VAL QG 1 34 THR H 0.000 . 3.500 2.874 1.868 3.390 . 0 0 "[ . 1 . 2]" 1
118 1 34 THR H 1 34 THR HG1 0.000 . 3.500 2.732 1.769 3.546 0.046 2 0 "[ . 1 . 2]" 1
119 1 32 LYS QB 1 34 THR H 0.000 . 5.000 4.055 2.927 4.966 . 0 0 "[ . 1 . 2]" 1
120 1 33 VAL HB 1 34 THR H 0.000 . 5.000 3.986 2.141 4.554 . 0 0 "[ . 1 . 2]" 1
121 1 33 VAL HA 1 34 THR H 0.000 . 3.500 3.162 2.078 3.569 0.069 13 0 "[ . 1 . 2]" 1
122 1 34 THR H 1 34 THR HB 0.000 . 3.500 3.196 2.658 3.600 0.100 18 0 "[ . 1 . 2]" 1
123 1 33 VAL H 1 34 THR H 0.000 . 5.000 2.730 1.702 4.331 . 0 0 "[ . 1 . 2]" 1
124 1 33 VAL QG 1 35 GLU H 0.000 . 5.000 4.331 3.026 5.062 0.062 9 0 "[ . 1 . 2]" 1
125 1 34 THR HG1 1 35 GLU H 0.000 . 3.500 3.141 2.099 3.705 0.205 16 0 "[ . 1 . 2]" 1
126 1 35 GLU H 1 35 GLU QB 0.000 . 3.500 2.537 2.201 3.252 . 0 0 "[ . 1 . 2]" 1
127 1 35 GLU H 1 35 GLU QG 0.000 . 3.500 2.518 1.737 3.546 0.046 1 0 "[ . 1 . 2]" 1
128 1 34 THR HB 1 35 GLU H 0.000 . 3.500 3.215 1.954 3.661 0.161 15 0 "[ . 1 . 2]" 1
129 1 34 THR HA 1 35 GLU H 0.000 . 3.500 2.608 2.065 3.558 0.058 12 0 "[ . 1 . 2]" 1
130 1 34 THR H 1 35 GLU H 0.000 . 5.000 3.635 1.693 4.576 . 0 0 "[ . 1 . 2]" 1
131 1 35 GLU H 1 49 GLN H 0.000 . 5.000 3.738 2.795 5.038 0.038 9 0 "[ . 1 . 2]" 1
132 1 35 GLU QB 1 36 GLN H 0.000 . 3.500 2.307 1.817 2.804 . 0 0 "[ . 1 . 2]" 1
133 1 36 GLN H 1 36 GLN HG3 0.000 . 3.500 3.282 2.717 4.411 0.911 16 3 "[ . *1- .+ 2]" 1
134 1 35 GLU HA 1 36 GLN H 0.000 . 3.500 2.983 2.164 3.595 0.095 18 0 "[ . 1 . 2]" 1
135 1 36 GLN H 1 48 TYR HA 0.000 . 3.500 3.388 2.051 3.698 0.198 16 0 "[ . 1 . 2]" 1
136 1 37 GLU H 1 37 GLU HB2 0.000 . 3.500 2.971 2.371 3.844 0.344 11 0 "[ . 1 . 2]" 1
137 1 37 GLU H 1 37 GLU HG3 0.000 . 5.000 3.155 1.868 4.681 . 0 0 "[ . 1 . 2]" 1
138 1 36 GLN HA 1 37 GLU H 0.000 . 3.500 2.667 2.175 3.543 0.043 2 0 "[ . 1 . 2]" 1
139 1 38 ALA H 1 38 ALA MB 0.000 . 3.500 2.613 2.228 3.002 . 0 0 "[ . 1 . 2]" 1
140 1 37 GLU HB2 1 38 ALA H 0.000 . 5.000 3.358 1.830 4.501 . 0 0 "[ . 1 . 2]" 1
141 1 37 GLU HB3 1 38 ALA H 0.000 . 5.000 3.503 1.755 4.676 . 0 0 "[ . 1 . 2]" 1
142 1 37 GLU HG3 1 38 ALA H 0.000 . 5.000 3.968 1.586 5.203 0.203 20 0 "[ . 1 . 2]" 1
143 1 37 GLU HA 1 38 ALA H 0.000 . 3.500 2.919 2.162 3.564 0.064 5 0 "[ . 1 . 2]" 1
144 1 38 ALA H 1 46 GLY H 0.000 . 5.000 4.744 3.105 5.125 0.125 19 0 "[ . 1 . 2]" 1
145 1 39 GLY H 1 39 GLY QA 0.000 . 2.700 2.327 2.198 2.487 . 0 0 "[ . 1 . 2]" 1
146 1 38 ALA HA 1 39 GLY H 0.000 . 2.700 2.360 2.104 2.769 0.069 15 0 "[ . 1 . 2]" 1
147 1 39 GLY QA 1 40 GLY H 0.000 . 2.700 2.439 2.108 2.781 0.081 16 0 "[ . 1 . 2]" 1
148 1 40 GLY H 1 40 GLY QA 0.000 . 2.700 2.327 2.207 2.503 . 0 0 "[ . 1 . 2]" 1
149 1 41 ILE H 1 41 ILE MD 0.000 . 5.000 3.460 1.743 4.307 . 0 0 "[ . 1 . 2]" 1
150 1 41 ILE H 1 41 ILE HG12 0.000 . 3.500 2.977 1.784 4.399 0.899 2 2 "[ + . - . 2]" 1
151 1 41 ILE H 1 41 ILE HG13 0.000 . 5.000 2.834 1.685 4.648 . 0 0 "[ . 1 . 2]" 1
152 1 41 ILE H 1 41 ILE HB 0.000 . 3.500 2.968 2.508 3.641 0.141 20 0 "[ . 1 . 2]" 1
153 1 40 GLY QA 1 41 ILE H 0.000 . 3.500 2.377 2.108 2.892 . 0 0 "[ . 1 . 2]" 1
154 1 41 ILE MD 1 42 THR H 0.000 . 5.000 4.375 2.756 5.095 0.095 9 0 "[ . 1 . 2]" 1
155 1 41 ILE MG 1 42 THR H 0.000 . 5.000 3.635 2.767 4.374 . 0 0 "[ . 1 . 2]" 1
156 1 42 THR H 1 42 THR HG1 0.000 . 3.500 2.733 1.971 3.352 . 0 0 "[ . 1 . 2]" 1
157 1 42 THR H 1 42 THR HB 0.000 . 3.500 3.022 2.529 3.580 0.080 5 0 "[ . 1 . 2]" 1
158 1 41 ILE HA 1 42 THR H 0.000 . 3.500 3.357 2.246 3.553 0.053 7 0 "[ . 1 . 2]" 1
159 1 45 ILE MD 1 46 GLY H 0.000 . 3.500 3.296 2.530 3.583 0.083 10 0 "[ . 1 . 2]" 1
160 1 45 ILE MG 1 46 GLY H 0.000 . 3.500 2.861 1.719 3.565 0.065 15 0 "[ . 1 . 2]" 1
161 1 45 ILE HG12 1 46 GLY H 0.000 . 5.000 3.954 1.529 5.014 0.014 18 0 "[ . 1 . 2]" 1
162 1 45 ILE HG13 1 46 GLY H 0.000 . 5.000 3.366 1.206 4.962 . 0 0 "[ . 1 . 2]" 1
163 1 45 ILE HB 1 46 GLY H 0.000 . 3.500 2.822 1.728 3.738 0.238 13 0 "[ . 1 . 2]" 1
164 1 46 GLY H 1 46 GLY QA 0.000 . 2.700 2.386 2.213 2.506 . 0 0 "[ . 1 . 2]" 1
165 1 45 ILE HA 1 46 GLY H 0.000 . 2.700 2.558 2.183 2.854 0.154 1 0 "[ . 1 . 2]" 1
166 1 46 GLY H 1 47 ALA H 0.000 . 3.500 2.643 1.891 3.610 0.110 20 0 "[ . 1 . 2]" 1
167 1 47 ALA H 1 47 ALA MB 0.000 . 3.500 2.539 2.244 2.909 . 0 0 "[ . 1 . 2]" 1
168 1 46 GLY QA 1 47 ALA H 0.000 . 3.500 2.578 2.036 2.905 . 0 0 "[ . 1 . 2]" 1
169 1 47 ALA MB 1 48 TYR H 0.000 . 3.500 2.132 1.757 3.573 0.073 15 0 "[ . 1 . 2]" 1
170 1 47 ALA HA 1 48 TYR H 0.000 . 3.500 2.812 2.272 3.513 0.013 12 0 "[ . 1 . 2]" 1
171 1 48 TYR H 1 59 PHE H 0.000 . 3.500 3.535 3.232 3.676 0.176 14 0 "[ . 1 . 2]" 1
172 1 49 GLN H 1 50 VAL QG 0.000 . 5.000 4.465 3.559 4.886 . 0 0 "[ . 1 . 2]" 1
173 1 34 THR HG1 1 49 GLN H 0.000 . 5.000 4.380 2.732 5.053 0.053 14 0 "[ . 1 . 2]" 1
174 1 49 GLN H 1 49 GLN HB3 0.000 . 3.500 3.747 3.618 3.876 0.376 13 0 "[ . 1 . 2]" 1
175 1 35 GLU QB 1 49 GLN H 0.000 . 3.500 2.853 1.119 3.493 . 0 0 "[ . 1 . 2]" 1
176 1 49 GLN H 1 49 GLN HG3 0.000 . 5.000 2.949 2.438 3.592 . 0 0 "[ . 1 . 2]" 1
177 1 48 TYR HB2 1 49 GLN H 0.000 . 3.500 2.675 1.957 4.070 0.570 16 1 "[ . 1 .+ 2]" 1
178 1 48 TYR HA 1 49 GLN H 0.000 . 3.500 2.344 2.126 2.710 . 0 0 "[ . 1 . 2]" 1
179 1 48 TYR QD 1 49 GLN H 0.000 . 5.000 3.688 2.557 4.613 . 0 0 "[ . 1 . 2]" 1
180 1 49 GLN H 1 50 VAL H 0.000 . 5.000 4.313 3.847 4.551 . 0 0 "[ . 1 . 2]" 1
181 1 50 VAL H 1 57 ILE MG 0.000 . 5.000 4.056 3.223 4.817 . 0 0 "[ . 1 . 2]" 1
182 1 50 VAL H 1 50 VAL QG 0.000 . 3.500 2.089 1.708 2.625 . 0 0 "[ . 1 . 2]" 1
183 1 49 GLN HB3 1 50 VAL H 0.000 . 5.000 3.187 2.622 3.832 . 0 0 "[ . 1 . 2]" 1
184 1 50 VAL H 1 50 VAL HB 0.000 . 3.500 3.002 2.375 3.660 0.160 2 0 "[ . 1 . 2]" 1
185 1 49 GLN HG3 1 50 VAL H 0.000 . 5.000 5.071 4.725 5.264 0.264 1 0 "[ . 1 . 2]" 1
186 1 50 VAL H 1 58 THR HA 0.000 . 5.000 3.648 2.888 4.483 . 0 0 "[ . 1 . 2]" 1
187 1 49 GLN HA 1 50 VAL H 0.000 . 3.500 2.199 2.110 2.344 . 0 0 "[ . 1 . 2]" 1
188 1 50 VAL H 1 51 THR H 0.000 . 5.000 4.472 4.319 4.527 . 0 0 "[ . 1 . 2]" 1
189 1 50 VAL H 1 59 PHE H 0.000 . 5.000 4.244 3.825 4.684 . 0 0 "[ . 1 . 2]" 1
190 1 50 VAL QG 1 51 THR H 0.000 . 3.500 2.460 1.471 3.411 . 0 0 "[ . 1 . 2]" 1
191 1 50 VAL HB 1 51 THR H 0.000 . 3.500 3.398 2.694 3.734 0.234 20 0 "[ . 1 . 2]" 1
192 1 51 THR H 1 51 THR HB 0.000 . 3.500 2.555 2.094 2.803 . 0 0 "[ . 1 . 2]" 1
193 1 50 VAL HA 1 51 THR H 0.000 . 3.500 2.242 2.092 2.637 . 0 0 "[ . 1 . 2]" 1
194 1 52 VAL H 1 52 VAL QG 0.000 . 3.500 2.321 1.955 2.815 . 0 0 "[ . 1 . 2]" 1
195 1 51 THR HG1 1 52 VAL H 0.000 . 3.500 3.323 1.811 3.594 0.094 4 0 "[ . 1 . 2]" 1
196 1 52 VAL H 1 52 VAL HB 0.000 . 3.500 2.948 2.527 3.279 . 0 0 "[ . 1 . 2]" 1
197 1 51 THR HB 1 52 VAL H 0.000 . 5.000 4.374 3.685 4.543 . 0 0 "[ . 1 . 2]" 1
198 1 51 THR HA 1 52 VAL H 0.000 . 3.500 2.283 2.144 2.538 . 0 0 "[ . 1 . 2]" 1
199 1 52 VAL H 1 55 LYS H 0.000 . 3.500 3.475 2.626 3.774 0.274 14 0 "[ . 1 . 2]" 1
200 1 52 VAL H 1 54 ASP H 0.000 . 5.000 3.237 2.852 3.645 . 0 0 "[ . 1 . 2]" 1
201 1 51 THR H 1 52 VAL H 0.000 . 5.000 3.933 3.449 4.630 . 0 0 "[ . 1 . 2]" 1
202 1 52 VAL QG 1 53 ASN H 0.000 . 2.700 2.676 2.141 2.842 0.142 4 0 "[ . 1 . 2]" 1
203 1 53 ASN H 1 53 ASN HB3 0.000 . 3.500 3.736 3.592 4.020 0.520 14 1 "[ . 1 +. 2]" 1
204 1 52 VAL HA 1 53 ASN H 0.000 . 2.700 2.148 2.076 2.287 . 0 0 "[ . 1 . 2]" 1
205 1 53 ASN H 1 53 ASN HA 0.000 . 2.700 2.289 2.262 2.314 . 0 0 "[ . 1 . 2]" 1
206 1 53 ASN H 1 54 ASP H 0.000 . 3.500 3.070 2.352 3.527 0.027 10 0 "[ . 1 . 2]" 1
207 1 52 VAL QG 1 54 ASP H 0.000 . 5.000 3.674 3.363 4.099 . 0 0 "[ . 1 . 2]" 1
208 1 51 THR HG1 1 54 ASP H 0.000 . 3.500 3.333 2.564 3.632 0.132 11 0 "[ . 1 . 2]" 1
209 1 52 VAL HB 1 54 ASP H 0.000 . 5.000 4.783 4.131 5.190 0.190 14 0 "[ . 1 . 2]" 1
210 1 53 ASN HB2 1 54 ASP H 0.000 . 3.500 3.675 3.349 3.872 0.372 16 0 "[ . 1 . 2]" 1
211 1 54 ASP H 1 54 ASP HB3 0.000 . 3.500 3.188 2.485 4.149 0.649 1 1 "[+ . 1 . 2]" 1
212 1 53 ASN HB3 1 54 ASP H 0.000 . 3.500 2.705 2.202 3.556 0.056 16 0 "[ . 1 . 2]" 1
213 1 53 ASN HA 1 54 ASP H 0.000 . 3.500 3.392 3.012 3.520 0.020 4 0 "[ . 1 . 2]" 1
214 1 54 ASP H 1 55 LYS H 0.000 . 3.500 2.477 1.871 3.094 . 0 0 "[ . 1 . 2]" 1
215 1 51 THR HB 1 55 LYS H 0.000 . 7.000 6.065 3.806 7.034 0.034 6 0 "[ . 1 . 2]" 1
216 1 54 ASP HA 1 55 LYS H 0.000 . 5.000 3.187 2.213 3.580 . 0 0 "[ . 1 . 2]" 1
217 1 51 THR HA 1 55 LYS H 0.000 . 5.000 3.843 2.216 4.622 . 0 0 "[ . 1 . 2]" 1
218 1 58 THR HG1 1 59 PHE H 0.000 . 3.500 2.912 2.464 3.329 . 0 0 "[ . 1 . 2]" 1
219 1 49 GLN QG 1 59 PHE H 0.000 . 3.500 3.506 3.375 3.586 0.086 4 0 "[ . 1 . 2]" 1
220 1 59 PHE H 1 59 PHE QB 0.000 . 3.500 2.340 2.161 2.510 . 0 0 "[ . 1 . 2]" 1
221 1 58 THR HA 1 59 PHE H 0.000 . 3.500 2.211 2.172 2.328 . 0 0 "[ . 1 . 2]" 1
222 1 49 GLN HA 1 59 PHE H 0.000 . 5.000 2.887 2.432 3.407 . 0 0 "[ . 1 . 2]" 1
223 1 59 PHE H 1 59 PHE QD 0.000 . 3.500 2.915 2.316 3.526 0.026 14 0 "[ . 1 . 2]" 1
224 1 59 PHE H 1 60 LEU H 0.000 . 5.000 4.290 3.997 4.540 . 0 0 "[ . 1 . 2]" 1
225 1 12 THR HA 1 60 LEU H 0.000 . 5.000 3.092 2.259 4.280 . 0 0 "[ . 1 . 2]" 1
226 1 59 PHE HA 1 60 LEU H 0.000 . 3.500 2.141 2.078 2.241 . 0 0 "[ . 1 . 2]" 1
227 1 59 PHE QD 1 60 LEU H 0.000 . 5.000 4.099 3.084 4.866 . 0 0 "[ . 1 . 2]" 1
228 1 81 ILE MD 1 82 VAL H 0.000 . 3.500 3.574 3.521 3.617 0.117 4 0 "[ . 1 . 2]" 1
229 1 81 ILE MG 1 82 VAL H 0.000 . 3.500 2.998 2.593 3.268 . 0 0 "[ . 1 . 2]" 1
230 1 82 VAL H 1 82 VAL MG1 0.000 . 3.500 3.751 3.699 3.785 0.285 13 0 "[ . 1 . 2]" 1
231 1 81 ILE HB 1 82 VAL H 0.000 . 5.000 4.386 4.163 4.488 . 0 0 "[ . 1 . 2]" 1
232 1 82 VAL H 1 82 VAL HB 0.000 . 3.500 2.491 2.352 2.629 . 0 0 "[ . 1 . 2]" 1
233 1 81 ILE HA 1 82 VAL H 0.000 . 3.500 2.182 2.134 2.244 . 0 0 "[ . 1 . 2]" 1
234 1 82 VAL H 1 110 ILE HA 0.000 . 3.500 3.348 3.055 3.516 0.016 19 0 "[ . 1 . 2]" 1
235 1 82 VAL HA 1 83 ILE H 0.000 . 5.000 2.216 2.148 2.329 . 0 0 "[ . 1 . 2]" 1
236 1 13 ILE HA 1 83 ILE H 0.000 . 5.000 3.089 2.506 3.434 . 0 0 "[ . 1 . 2]" 1
237 1 84 LEU H 1 112 VAL QG 0.000 . 5.000 4.253 4.061 4.397 . 0 0 "[ . 1 . 2]" 1
238 1 84 LEU H 1 111 ILE MD 0.000 . 3.500 3.780 3.723 3.869 0.369 8 0 "[ . 1 . 2]" 1
239 1 84 LEU H 1 111 ILE MG 0.000 . 3.500 3.611 3.553 3.692 0.192 16 0 "[ . 1 . 2]" 1
240 1 83 ILE MG 1 84 LEU H 0.000 . 3.500 3.175 2.773 3.578 0.078 5 0 "[ . 1 . 2]" 1
241 1 84 LEU H 1 84 LEU QD 0.000 . 3.500 3.689 3.629 3.767 0.267 8 0 "[ . 1 . 2]" 1
242 1 83 ILE HG12 1 84 LEU H 0.000 . 5.000 5.047 4.876 5.310 0.310 8 0 "[ . 1 . 2]" 1
243 1 84 LEU H 1 84 LEU QB 0.000 . 3.500 2.314 2.242 2.442 . 0 0 "[ . 1 . 2]" 1
244 1 83 ILE HB 1 84 LEU H 0.000 . 5.000 4.106 3.590 4.319 . 0 0 "[ . 1 . 2]" 1
245 1 84 LEU H 1 112 VAL HA 0.000 . 3.500 3.470 3.249 3.557 0.057 15 0 "[ . 1 . 2]" 1
246 1 83 ILE HA 1 84 LEU H 0.000 . 2.700 2.116 2.071 2.170 . 0 0 "[ . 1 . 2]" 1
247 1 84 LEU H 1 111 ILE H 0.000 . 5.000 2.548 2.328 2.749 . 0 0 "[ . 1 . 2]" 1
248 1 84 LEU H 1 113 ALA H 0.000 . 5.000 4.452 4.180 4.680 . 0 0 "[ . 1 . 2]" 1
249 1 85 VAL H 1 85 VAL QG 0.000 . 3.500 2.251 2.139 2.394 . 0 0 "[ . 1 . 2]" 1
250 1 85 VAL H 1 85 VAL HB 0.000 . 3.500 2.553 2.466 2.626 . 0 0 "[ . 1 . 2]" 1
251 1 84 LEU HA 1 85 VAL H 0.000 . 3.500 2.198 2.131 2.241 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLY QA 1 85 VAL H 0.000 . 5.000 2.365 1.935 2.901 . 0 0 "[ . 1 . 2]" 1
253 1 86 VAL H 1 112 VAL QG 0.000 . 5.000 3.755 3.540 3.935 . 0 0 "[ . 1 . 2]" 1
254 1 86 VAL H 1 86 VAL QG 0.000 . 3.500 2.322 2.104 3.008 . 0 0 "[ . 1 . 2]" 1
255 1 85 VAL QG 1 86 VAL H 0.000 . 3.500 2.348 2.131 2.593 . 0 0 "[ . 1 . 2]" 1
256 1 86 VAL H 1 113 ALA MB 0.000 . 5.000 2.993 2.804 3.147 . 0 0 "[ . 1 . 2]" 1
257 1 85 VAL HB 1 86 VAL H 0.000 . 5.000 4.085 3.968 4.153 . 0 0 "[ . 1 . 2]" 1
258 1 86 VAL H 1 114 ILE HA 0.000 . 5.000 3.323 3.124 3.697 . 0 0 "[ . 1 . 2]" 1
259 1 85 VAL HA 1 86 VAL H 0.000 . 2.700 2.153 2.108 2.184 . 0 0 "[ . 1 . 2]" 1
260 1 86 VAL H 1 87 ALA H 0.000 . 5.000 4.320 4.220 4.380 . 0 0 "[ . 1 . 2]" 1
261 1 86 VAL H 1 115 ASN H 0.000 . 3.500 3.314 3.114 3.502 0.002 5 0 "[ . 1 . 2]" 1
262 1 86 VAL H 1 113 ALA H 0.000 . 5.000 2.982 2.702 3.159 . 0 0 "[ . 1 . 2]" 1
263 1 86 VAL QG 1 87 ALA H 0.000 . 3.500 2.611 1.724 2.911 . 0 0 "[ . 1 . 2]" 1
264 1 87 ALA H 1 87 ALA MB 0.000 . 3.500 2.666 2.587 2.747 . 0 0 "[ . 1 . 2]" 1
265 1 86 VAL HB 1 87 ALA H 0.000 . 3.500 2.180 1.812 3.654 0.154 15 0 "[ . 1 . 2]" 1
266 1 86 VAL HA 1 87 ALA H 0.000 . 3.500 2.713 2.555 2.886 . 0 0 "[ . 1 . 2]" 1
267 1 88 ALA H 1 114 ILE MG 0.000 . 5.000 2.703 1.976 3.315 . 0 0 "[ . 1 . 2]" 1
268 1 87 ALA MB 1 88 ALA H 0.000 . 3.500 2.961 2.602 3.499 . 0 0 "[ . 1 . 2]" 1
269 1 88 ALA H 1 88 ALA MB 0.000 . 3.500 2.446 2.212 2.808 . 0 0 "[ . 1 . 2]" 1
270 1 87 ALA HA 1 88 ALA H 0.000 . 3.500 2.133 2.054 2.201 . 0 0 "[ . 1 . 2]" 1
271 1 87 ALA H 1 88 ALA H 0.000 . 5.000 4.182 3.688 4.354 . 0 0 "[ . 1 . 2]" 1
272 1 88 ALA H 1 89 ASP H 0.000 . 5.000 3.693 2.753 4.574 . 0 0 "[ . 1 . 2]" 1
273 1 89 ASP H 1 114 ILE MG 0.000 . 7.000 4.962 4.536 5.883 . 0 0 "[ . 1 . 2]" 1
274 1 89 ASP H 1 127 VAL QG 0.000 . 7.000 4.505 3.464 4.958 . 0 0 "[ . 1 . 2]" 1
275 1 88 ALA MB 1 89 ASP H 0.000 . 3.500 2.246 1.674 3.648 0.148 5 0 "[ . 1 . 2]" 1
276 1 89 ASP H 1 122 ALA MB 0.000 . 7.000 3.588 2.809 4.976 . 0 0 "[ . 1 . 2]" 1
277 1 89 ASP H 1 90 ASP HB3 0.000 . 5.000 4.803 4.207 5.049 0.049 10 0 "[ . 1 . 2]" 1
278 1 89 ASP H 1 90 ASP HB2 0.000 . 5.000 4.191 3.841 4.722 . 0 0 "[ . 1 . 2]" 1
279 1 89 ASP H 1 122 ALA HA 0.000 . 7.000 5.760 3.570 6.816 . 0 0 "[ . 1 . 2]" 1
280 1 88 ALA HA 1 89 ASP H 0.000 . 5.000 3.365 2.457 3.582 . 0 0 "[ . 1 . 2]" 1
281 1 89 ASP H 1 90 ASP H 0.000 . 3.500 2.216 1.754 2.607 . 0 0 "[ . 1 . 2]" 1
282 1 89 ASP HA 1 90 ASP H 0.000 . 5.000 3.299 3.054 3.543 . 0 0 "[ . 1 . 2]" 1
283 1 91 GLY H 1 127 VAL QG 0.000 . 7.000 2.947 2.475 3.375 . 0 0 "[ . 1 . 2]" 1
284 1 90 ASP HB3 1 91 GLY H 0.000 . 5.000 2.555 2.075 2.884 . 0 0 "[ . 1 . 2]" 1
285 1 90 ASP HB2 1 91 GLY H 0.000 . 5.000 3.632 3.448 3.827 . 0 0 "[ . 1 . 2]" 1
286 1 90 ASP HA 1 91 GLY H 0.000 . 3.500 3.508 3.458 3.538 0.038 6 0 "[ . 1 . 2]" 1
287 1 90 ASP H 1 91 GLY H 0.000 . 5.000 2.356 2.041 2.637 . 0 0 "[ . 1 . 2]" 1
288 1 91 GLY H 1 92 VAL H 0.000 . 5.000 4.433 4.088 4.589 . 0 0 "[ . 1 . 2]" 1
289 1 92 VAL H 1 92 VAL MG1 0.000 . 3.500 3.494 1.762 3.729 0.229 14 0 "[ . 1 . 2]" 1
290 1 92 VAL H 1 92 VAL MG2 0.000 . 3.500 2.868 2.339 3.722 0.222 19 0 "[ . 1 . 2]" 1
291 1 92 VAL H 1 127 VAL QG 0.000 . 7.000 3.578 2.794 4.526 . 0 0 "[ . 1 . 2]" 1
292 1 92 VAL H 1 92 VAL HB 0.000 . 3.500 2.452 2.281 2.972 . 0 0 "[ . 1 . 2]" 1
293 1 92 VAL H 1 130 GLU QG 0.000 . 5.000 3.837 3.211 4.910 . 0 0 "[ . 1 . 2]" 1
294 1 91 GLY HA2 1 92 VAL H 0.000 . 3.500 3.170 2.898 3.382 . 0 0 "[ . 1 . 2]" 1
295 1 92 VAL H 1 127 VAL HA 0.000 . 7.000 4.519 3.415 5.250 . 0 0 "[ . 1 . 2]" 1
296 1 91 GLY HA3 1 92 VAL H 0.000 . 3.500 2.155 2.103 2.221 . 0 0 "[ . 1 . 2]" 1
297 1 92 VAL H 1 93 MET H 0.000 . 5.000 4.177 4.050 4.319 . 0 0 "[ . 1 . 2]" 1
298 1 93 MET H 1 97 VAL QG 0.000 . 5.000 4.618 4.113 4.926 . 0 0 "[ . 1 . 2]" 1
299 1 92 VAL MG1 1 93 MET H 0.000 . 3.500 3.284 3.033 4.259 0.759 19 2 "[ . 1 . - +2]" 1
300 1 92 VAL MG2 1 93 MET H 0.000 . 5.000 3.981 3.214 4.216 . 0 0 "[ . 1 . 2]" 1
301 1 93 MET H 1 96 THR HG1 0.000 . 3.500 2.635 2.495 2.738 . 0 0 "[ . 1 . 2]" 1
302 1 92 VAL HB 1 93 MET H 0.000 . 5.000 4.461 4.399 4.497 . 0 0 "[ . 1 . 2]" 1
303 1 90 ASP HB3 1 93 MET H 0.000 . 5.000 5.138 5.076 5.183 0.183 1 0 "[ . 1 . 2]" 1
304 1 92 VAL HA 1 93 MET H 0.000 . 2.700 2.174 2.148 2.222 . 0 0 "[ . 1 . 2]" 1
305 1 93 MET H 1 96 THR HB 0.000 . 2.700 2.638 2.336 2.739 0.039 18 0 "[ . 1 . 2]" 1
306 1 93 MET H 1 96 THR H 0.000 . 3.500 3.597 3.556 3.641 0.141 10 0 "[ . 1 . 2]" 1
307 1 95 GLN H 1 95 GLN HG2 0.000 . 2.700 2.712 2.026 2.829 0.129 9 0 "[ . 1 . 2]" 1
308 1 95 GLN H 1 95 GLN HG3 0.000 . 2.700 2.397 2.002 2.887 0.187 2 0 "[ . 1 . 2]" 1
309 1 16 HIS QB 1 95 GLN H 0.000 . 3.500 3.577 3.299 3.705 0.205 2 0 "[ . 1 . 2]" 1
310 1 95 GLN H 1 95 GLN HB3 0.000 . 3.500 3.581 3.518 3.602 0.102 14 0 "[ . 1 . 2]" 1
311 1 95 GLN H 1 95 GLN HA 0.000 . 2.700 2.794 2.743 2.843 0.143 7 0 "[ . 1 . 2]" 1
312 1 94 PRO HA 1 95 GLN H 0.000 . 3.500 3.578 3.563 3.604 0.104 7 0 "[ . 1 . 2]" 1
313 1 95 GLN H 1 96 THR H 0.000 . 3.500 2.633 2.433 2.855 . 0 0 "[ . 1 . 2]" 1
314 1 95 GLN HG3 1 96 THR H 0.000 . 5.000 4.370 4.036 4.761 . 0 0 "[ . 1 . 2]" 1
315 1 16 HIS QB 1 96 THR H 0.000 . 5.000 2.888 2.334 3.445 . 0 0 "[ . 1 . 2]" 1
316 1 95 GLN HB2 1 96 THR H 0.000 . 5.000 2.886 2.512 3.177 . 0 0 "[ . 1 . 2]" 1
317 1 95 GLN HB3 1 96 THR H 0.000 . 5.000 3.945 3.702 4.127 . 0 0 "[ . 1 . 2]" 1
318 1 95 GLN HA 1 96 THR H 0.000 . 5.000 3.496 3.420 3.538 . 0 0 "[ . 1 . 2]" 1
319 1 96 THR H 1 96 THR HB 0.000 . 3.500 2.673 2.548 2.834 . 0 0 "[ . 1 . 2]" 1
320 1 96 THR H 1 97 VAL H 0.000 . 3.500 2.622 2.468 2.830 . 0 0 "[ . 1 . 2]" 1
321 1 97 VAL H 1 97 VAL QG 0.000 . 3.500 2.241 1.711 2.558 . 0 0 "[ . 1 . 2]" 1
322 1 96 THR HG1 1 97 VAL H 0.000 . 5.000 3.747 3.456 3.880 . 0 0 "[ . 1 . 2]" 1
323 1 97 VAL H 1 97 VAL HB 0.000 . 3.500 2.558 2.216 3.571 0.071 5 0 "[ . 1 . 2]" 1
324 1 96 THR HA 1 97 VAL H 0.000 . 5.000 3.497 3.450 3.603 . 0 0 "[ . 1 . 2]" 1
325 1 94 PRO HA 1 97 VAL H 0.000 . 5.000 3.701 3.411 3.978 . 0 0 "[ . 1 . 2]" 1
326 1 96 THR HB 1 97 VAL H 0.000 . 3.500 2.889 2.574 3.148 . 0 0 "[ . 1 . 2]" 1
327 1 97 VAL H 1 98 GLU H 0.000 . 3.500 2.429 2.283 2.596 . 0 0 "[ . 1 . 2]" 1
328 1 97 VAL QG 1 98 GLU H 0.000 . 5.000 2.862 2.288 3.211 . 0 0 "[ . 1 . 2]" 1
329 1 98 GLU H 1 99 ALA MB 0.000 . 5.000 4.339 4.226 4.467 . 0 0 "[ . 1 . 2]" 1
330 1 98 GLU H 1 98 GLU HB2 0.000 . 3.500 2.557 2.354 3.556 0.056 2 0 "[ . 1 . 2]" 1
331 1 98 GLU H 1 98 GLU HG2 0.000 . 3.500 2.994 1.843 3.442 . 0 0 "[ . 1 . 2]" 1
332 1 98 GLU H 1 98 GLU HG3 0.000 . 3.500 2.475 1.952 3.556 0.056 18 0 "[ . 1 . 2]" 1
333 1 97 VAL HA 1 98 GLU H 0.000 . 5.000 3.548 3.499 3.592 . 0 0 "[ . 1 . 2]" 1
334 1 95 GLN HA 1 98 GLU H 0.000 . 5.000 3.123 2.789 3.561 . 0 0 "[ . 1 . 2]" 1
335 1 98 GLU H 1 99 ALA H 0.000 . 3.500 2.659 2.557 2.826 . 0 0 "[ . 1 . 2]" 1
336 1 96 THR H 1 98 GLU H 0.000 . 5.000 4.205 3.836 4.599 . 0 0 "[ . 1 . 2]" 1
337 1 99 ALA H 1 100 ILE MD 0.000 . 7.000 5.470 5.149 5.886 . 0 0 "[ . 1 . 2]" 1
338 1 99 ALA H 1 100 ILE MG 0.000 . 5.000 5.112 5.043 5.171 0.171 14 0 "[ . 1 . 2]" 1
339 1 96 THR HG1 1 99 ALA H 0.000 . 5.000 4.984 4.840 5.092 0.092 15 0 "[ . 1 . 2]" 1
340 1 99 ALA H 1 99 ALA MB 0.000 . 3.500 2.268 2.219 2.330 . 0 0 "[ . 1 . 2]" 1
341 1 98 GLU HB2 1 99 ALA H 0.000 . 3.500 3.042 2.497 3.674 0.174 2 0 "[ . 1 . 2]" 1
342 1 98 GLU HG2 1 99 ALA H 0.000 . 5.000 4.808 2.835 5.076 0.076 11 0 "[ . 1 . 2]" 1
343 1 98 GLU HG3 1 99 ALA H 0.000 . 5.000 4.419 2.515 5.034 0.034 5 0 "[ . 1 . 2]" 1
344 1 97 VAL HA 1 99 ALA H 0.000 . 5.000 4.000 3.719 4.402 . 0 0 "[ . 1 . 2]" 1
345 1 99 ALA H 1 100 ILE HA 0.000 . 7.000 5.002 4.777 5.241 . 0 0 "[ . 1 . 2]" 1
346 1 96 THR HA 1 99 ALA H 0.000 . 5.000 4.000 3.815 4.201 . 0 0 "[ . 1 . 2]" 1
347 1 98 GLU HA 1 99 ALA H 0.000 . 5.000 3.430 3.239 3.525 . 0 0 "[ . 1 . 2]" 1
348 1 99 ALA H 1 100 ILE H 0.000 . 3.500 2.322 2.071 2.595 . 0 0 "[ . 1 . 2]" 1
349 1 99 ALA H 1 101 ASN H 0.000 . 5.000 4.011 3.608 4.403 . 0 0 "[ . 1 . 2]" 1
350 1 100 ILE H 1 100 ILE MD 0.000 . 5.000 3.943 3.707 4.160 . 0 0 "[ . 1 . 2]" 1
351 1 97 VAL QG 1 100 ILE H 0.000 . 5.000 4.177 3.809 4.595 . 0 0 "[ . 1 . 2]" 1
352 1 99 ALA MB 1 100 ILE H 0.000 . 3.500 2.607 2.339 3.013 . 0 0 "[ . 1 . 2]" 1
353 1 100 ILE H 1 100 ILE HB 0.000 . 3.500 2.072 1.968 2.165 . 0 0 "[ . 1 . 2]" 1
354 1 97 VAL HA 1 100 ILE H 0.000 . 5.000 3.379 2.844 3.972 . 0 0 "[ . 1 . 2]" 1
355 1 98 GLU HA 1 100 ILE H 0.000 . 5.000 4.300 3.766 4.574 . 0 0 "[ . 1 . 2]" 1
356 1 99 ALA HA 1 100 ILE H 0.000 . 5.000 3.484 3.380 3.533 . 0 0 "[ . 1 . 2]" 1
357 1 100 ILE H 1 101 ASN H 0.000 . 3.500 2.606 2.414 2.800 . 0 0 "[ . 1 . 2]" 1
358 1 100 ILE MD 1 101 ASN H 0.000 . 5.000 4.660 4.475 4.823 . 0 0 "[ . 1 . 2]" 1
359 1 97 VAL QG 1 101 ASN H 0.000 . 5.000 3.406 2.920 3.822 . 0 0 "[ . 1 . 2]" 1
360 1 100 ILE MG 1 101 ASN H 0.000 . 3.500 2.290 1.989 2.656 . 0 0 "[ . 1 . 2]" 1
361 1 99 ALA MB 1 101 ASN H 0.000 . 5.000 4.725 4.481 5.019 0.019 10 0 "[ . 1 . 2]" 1
362 1 100 ILE HB 1 101 ASN H 0.000 . 3.500 2.797 2.439 3.134 . 0 0 "[ . 1 . 2]" 1
363 1 101 ASN H 1 104 LYS QB 0.000 . 5.000 4.977 4.906 5.072 0.072 10 0 "[ . 1 . 2]" 1
364 1 101 ASN H 1 101 ASN HB2 0.000 . 3.500 2.224 2.033 2.806 . 0 0 "[ . 1 . 2]" 1
365 1 101 ASN H 1 101 ASN HB3 0.000 . 3.500 3.012 2.094 3.566 0.066 14 0 "[ . 1 . 2]" 1
366 1 97 VAL HA 1 101 ASN H 0.000 . 5.000 3.768 3.519 4.174 . 0 0 "[ . 1 . 2]" 1
367 1 100 ILE HA 1 101 ASN H 0.000 . 5.000 3.560 3.515 3.597 . 0 0 "[ . 1 . 2]" 1
368 1 98 GLU HA 1 101 ASN H 0.000 . 5.000 3.623 3.009 4.045 . 0 0 "[ . 1 . 2]" 1
369 1 101 ASN H 1 101 ASN HD21 0.000 . 5.000 3.896 3.694 4.711 . 0 0 "[ . 1 . 2]" 1
370 1 101 ASN H 1 101 ASN HD22 0.000 . 5.000 5.047 4.292 5.390 0.390 20 0 "[ . 1 . 2]" 1
371 1 98 GLU H 1 101 ASN H 0.000 . 5.000 4.757 4.561 5.053 0.053 10 0 "[ . 1 . 2]" 1
372 1 101 ASN H 1 104 LYS H 0.000 . 5.000 4.733 4.623 4.887 . 0 0 "[ . 1 . 2]" 1
373 1 100 ILE MG 1 102 HIS H 0.000 . 5.000 4.341 4.196 4.497 . 0 0 "[ . 1 . 2]" 1
374 1 102 HIS H 1 103 ALA MB 0.000 . 5.000 4.107 4.005 4.307 . 0 0 "[ . 1 . 2]" 1
375 1 99 ALA MB 1 102 HIS H 0.000 . 5.000 4.588 4.471 4.772 . 0 0 "[ . 1 . 2]" 1
376 1 100 ILE HB 1 102 HIS H 0.000 . 5.000 4.925 4.630 5.048 0.048 7 0 "[ . 1 . 2]" 1
377 1 98 GLU QB 1 102 HIS H 0.000 . 5.000 4.883 4.493 5.027 0.027 7 0 "[ . 1 . 2]" 1
378 1 101 ASN HB2 1 102 HIS H 0.000 . 5.000 3.436 2.682 4.077 . 0 0 "[ . 1 . 2]" 1
379 1 101 ASN HB3 1 102 HIS H 0.000 . 5.000 2.919 2.603 3.693 . 0 0 "[ . 1 . 2]" 1
380 1 102 HIS H 1 102 HIS HB2 0.000 . 3.500 2.507 2.365 2.585 . 0 0 "[ . 1 . 2]" 1
381 1 102 HIS H 1 102 HIS HB3 0.000 . 3.500 2.600 2.475 2.720 . 0 0 "[ . 1 . 2]" 1
382 1 99 ALA HA 1 102 HIS H 0.000 . 5.000 3.562 3.380 3.724 . 0 0 "[ . 1 . 2]" 1
383 1 101 ASN HA 1 102 HIS H 0.000 . 3.500 3.499 3.468 3.518 0.018 1 0 "[ . 1 . 2]" 1
384 1 99 ALA H 1 102 HIS H 0.000 . 5.000 4.494 4.203 4.722 . 0 0 "[ . 1 . 2]" 1
385 1 100 ILE H 1 102 HIS H 0.000 . 5.000 3.725 3.352 3.931 . 0 0 "[ . 1 . 2]" 1
386 1 101 ASN H 1 102 HIS H 0.000 . 3.500 2.768 2.537 2.912 . 0 0 "[ . 1 . 2]" 1
387 1 100 ILE MG 1 103 ALA H 0.000 . 5.000 4.268 4.174 4.386 . 0 0 "[ . 1 . 2]" 1
388 1 103 ALA H 1 103 ALA MB 0.000 . 3.500 2.287 2.235 2.348 . 0 0 "[ . 1 . 2]" 1
389 1 100 ILE HB 1 103 ALA H 0.000 . 5.000 5.159 5.120 5.224 0.224 20 0 "[ . 1 . 2]" 1
390 1 102 HIS HB2 1 103 ALA H 0.000 . 5.000 3.965 3.816 4.114 . 0 0 "[ . 1 . 2]" 1
391 1 102 HIS HB3 1 103 ALA H 0.000 . 5.000 2.929 2.833 3.044 . 0 0 "[ . 1 . 2]" 1
392 1 100 ILE HA 1 103 ALA H 0.000 . 5.000 2.940 2.820 3.051 . 0 0 "[ . 1 . 2]" 1
393 1 102 HIS HA 1 103 ALA H 0.000 . 3.500 3.490 3.457 3.521 0.021 8 0 "[ . 1 . 2]" 1
394 1 100 ILE MG 1 104 LYS H 0.000 . 5.000 3.608 3.377 3.883 . 0 0 "[ . 1 . 2]" 1
395 1 103 ALA MB 1 104 LYS H 0.000 . 3.500 2.495 2.286 2.918 . 0 0 "[ . 1 . 2]" 1
396 1 104 LYS H 1 104 LYS QG 0.000 . 3.500 2.569 1.847 3.403 . 0 0 "[ . 1 . 2]" 1
397 1 104 LYS H 1 104 LYS QD 0.000 . 3.500 3.498 2.975 3.723 0.223 4 0 "[ . 1 . 2]" 1
398 1 104 LYS H 1 104 LYS QB 0.000 . 3.500 2.200 1.873 2.533 . 0 0 "[ . 1 . 2]" 1
399 1 104 LYS H 1 104 LYS HE3 0.000 . 5.000 5.296 4.448 5.875 0.875 3 9 "[*-+** * 1 * .** 2]" 1
400 1 100 ILE HA 1 104 LYS H 0.000 . 5.000 3.366 3.173 3.609 . 0 0 "[ . 1 . 2]" 1
401 1 103 ALA HA 1 104 LYS H 0.000 . 5.000 3.549 3.485 3.596 . 0 0 "[ . 1 . 2]" 1
402 1 101 ASN HA 1 104 LYS H 0.000 . 5.000 3.981 3.553 4.119 . 0 0 "[ . 1 . 2]" 1
403 1 104 LYS H 1 105 ALA H 0.000 . 3.500 2.668 2.447 2.877 . 0 0 "[ . 1 . 2]" 1
404 1 103 ALA H 1 104 LYS H 0.000 . 3.500 2.417 2.256 2.575 . 0 0 "[ . 1 . 2]" 1
405 1 103 ALA MB 1 105 ALA H 0.000 . 5.000 4.311 4.161 4.456 . 0 0 "[ . 1 . 2]" 1
406 1 104 LYS QG 1 105 ALA H 0.000 . 3.500 2.733 2.219 3.673 0.173 9 0 "[ . 1 . 2]" 1
407 1 104 LYS QD 1 105 ALA H 0.000 . 5.000 4.162 2.612 4.676 . 0 0 "[ . 1 . 2]" 1
408 1 104 LYS QB 1 105 ALA H 0.000 . 5.000 3.542 2.317 3.824 . 0 0 "[ . 1 . 2]" 1
409 1 103 ALA HA 1 105 ALA H 0.000 . 5.000 4.082 3.787 4.522 . 0 0 "[ . 1 . 2]" 1
410 1 104 LYS HA 1 105 ALA H 0.000 . 5.000 3.430 3.343 3.521 . 0 0 "[ . 1 . 2]" 1
411 1 102 HIS HA 1 105 ALA H 0.000 . 5.000 4.601 4.293 5.001 0.001 15 0 "[ . 1 . 2]" 1
412 1 105 ALA H 1 106 ALA H 0.000 . 3.500 2.575 2.360 2.709 . 0 0 "[ . 1 . 2]" 1
413 1 103 ALA H 1 105 ALA H 0.000 . 5.000 4.037 3.786 4.350 . 0 0 "[ . 1 . 2]" 1
414 1 106 ALA H 1 108 VAL QG 0.000 . 5.000 2.853 2.441 3.487 . 0 0 "[ . 1 . 2]" 1
415 1 106 ALA H 1 106 ALA MB 0.000 . 3.500 2.358 2.303 2.429 . 0 0 "[ . 1 . 2]" 1
416 1 105 ALA MB 1 106 ALA H 0.000 . 3.500 3.388 3.252 3.478 . 0 0 "[ . 1 . 2]" 1
417 1 106 ALA H 1 107 ASN QB 0.000 . 5.000 4.727 4.619 4.919 . 0 0 "[ . 1 . 2]" 1
418 1 103 ALA HA 1 106 ALA H 0.000 . 5.000 4.260 3.733 4.636 . 0 0 "[ . 1 . 2]" 1
419 1 105 ALA HA 1 106 ALA H 0.000 . 5.000 3.203 3.110 3.285 . 0 0 "[ . 1 . 2]" 1
420 1 106 ALA H 1 107 ASN H 0.000 . 3.500 2.149 2.029 2.319 . 0 0 "[ . 1 . 2]" 1
421 1 104 LYS H 1 106 ALA H 0.000 . 5.000 4.386 3.979 4.611 . 0 0 "[ . 1 . 2]" 1
422 1 107 ASN H 1 108 VAL QG 0.000 . 5.000 3.061 2.315 3.655 . 0 0 "[ . 1 . 2]" 1
423 1 106 ALA MB 1 107 ASN H 0.000 . 5.000 3.247 2.211 3.478 . 0 0 "[ . 1 . 2]" 1
424 1 105 ALA MB 1 107 ASN H 0.000 . 5.000 4.327 4.087 5.047 0.047 6 0 "[ . 1 . 2]" 1
425 1 104 LYS HA 1 107 ASN H 0.000 . 5.000 4.037 3.459 4.547 . 0 0 "[ . 1 . 2]" 1
426 1 106 ALA HA 1 107 ASN H 0.000 . 3.500 3.200 2.969 3.490 . 0 0 "[ . 1 . 2]" 1
427 1 107 ASN H 1 108 VAL H 0.000 . 3.500 2.332 1.514 2.764 . 0 0 "[ . 1 . 2]" 1
428 1 108 VAL H 1 108 VAL QG 0.000 . 3.500 2.041 1.701 2.848 . 0 0 "[ . 1 . 2]" 1
429 1 106 ALA MB 1 108 VAL H 0.000 . 5.000 3.447 2.902 3.917 . 0 0 "[ . 1 . 2]" 1
430 1 108 VAL H 1 108 VAL HB 0.000 . 3.500 3.326 2.218 3.769 0.269 9 0 "[ . 1 . 2]" 1
431 1 107 ASN QB 1 108 VAL H 0.000 . 5.000 3.843 3.680 4.027 . 0 0 "[ . 1 . 2]" 1
432 1 108 VAL H 1 109 PRO HD3 0.000 . 5.000 4.571 4.424 4.740 . 0 0 "[ . 1 . 2]" 1
433 1 105 ALA HA 1 108 VAL H 0.000 . 5.000 5.132 5.039 5.233 0.233 15 0 "[ . 1 . 2]" 1
434 1 107 ASN HA 1 108 VAL H 0.000 . 3.500 2.737 2.477 3.040 . 0 0 "[ . 1 . 2]" 1
435 1 106 ALA H 1 108 VAL H 0.000 . 5.000 3.243 2.922 3.543 . 0 0 "[ . 1 . 2]" 1
436 1 110 ILE H 1 110 ILE MD 0.000 . 5.000 3.508 2.692 4.236 . 0 0 "[ . 1 . 2]" 1
437 1 110 ILE H 1 110 ILE HB 0.000 . 3.500 2.604 2.451 2.739 . 0 0 "[ . 1 . 2]" 1
438 1 109 PRO HG2 1 110 ILE H 0.000 . 5.000 5.158 5.097 5.256 0.256 12 0 "[ . 1 . 2]" 1
439 1 109 PRO HG3 1 110 ILE H 0.000 . 5.000 4.919 4.815 5.027 0.027 12 0 "[ . 1 . 2]" 1
440 1 109 PRO HB3 1 110 ILE H 0.000 . 5.000 3.017 2.876 3.222 . 0 0 "[ . 1 . 2]" 1
441 1 109 PRO HA 1 110 ILE H 0.000 . 3.500 2.219 2.071 2.332 . 0 0 "[ . 1 . 2]" 1
442 1 100 ILE MD 1 111 ILE H 0.000 . 5.000 5.244 5.187 5.329 0.329 1 0 "[ . 1 . 2]" 1
443 1 111 ILE H 1 111 ILE MD 0.000 . 3.500 2.861 2.361 3.585 0.085 4 0 "[ . 1 . 2]" 1
444 1 111 ILE H 1 111 ILE QG 0.000 . 3.500 3.129 2.486 3.539 0.039 15 0 "[ . 1 . 2]" 1
445 1 111 ILE H 1 111 ILE HB 0.000 . 3.500 2.637 2.533 2.776 . 0 0 "[ . 1 . 2]" 1
446 1 82 VAL HB 1 111 ILE H 0.000 . 3.500 3.567 3.492 3.687 0.187 9 0 "[ . 1 . 2]" 1
447 1 83 ILE HA 1 111 ILE H 0.000 . 2.700 2.914 2.799 2.979 0.279 9 0 "[ . 1 . 2]" 1
448 1 110 ILE HA 1 111 ILE H 0.000 . 2.700 2.268 2.202 2.379 . 0 0 "[ . 1 . 2]" 1
449 1 82 VAL H 1 111 ILE H 0.000 . 5.000 4.443 4.177 4.839 . 0 0 "[ . 1 . 2]" 1
450 1 112 VAL H 1 112 VAL QG 0.000 . 3.500 1.885 1.600 2.106 . 0 0 "[ . 1 . 2]" 1
451 1 111 ILE QG 1 112 VAL H 0.000 . 5.000 4.087 3.919 4.339 . 0 0 "[ . 1 . 2]" 1
452 1 112 VAL H 1 145 THR HG1 0.000 . 5.000 3.252 2.634 3.610 . 0 0 "[ . 1 . 2]" 1
453 1 111 ILE HB 1 112 VAL H 0.000 . 5.000 3.946 3.544 4.340 . 0 0 "[ . 1 . 2]" 1
454 1 112 VAL H 1 146 ILE HB 0.000 . 5.000 3.683 3.276 3.973 . 0 0 "[ . 1 . 2]" 1
455 1 111 ILE HA 1 112 VAL H 0.000 . 3.500 2.235 2.081 2.368 . 0 0 "[ . 1 . 2]" 1
456 1 112 VAL H 1 147 PHE HA 0.000 . 3.500 2.951 2.714 3.262 . 0 0 "[ . 1 . 2]" 1
457 1 112 VAL H 1 147 PHE QD 0.000 . 5.000 4.742 4.588 4.846 . 0 0 "[ . 1 . 2]" 1
458 1 112 VAL H 1 114 ILE H 0.000 . 7.000 5.760 5.522 6.158 . 0 0 "[ . 1 . 2]" 1
459 1 112 VAL H 1 113 ALA H 0.000 . 5.000 4.379 4.223 4.529 . 0 0 "[ . 1 . 2]" 1
460 1 112 VAL H 1 148 CYS H 0.000 . 5.000 3.489 3.132 4.050 . 0 0 "[ . 1 . 2]" 1
461 1 112 VAL H 1 146 ILE H 0.000 . 5.000 3.842 3.546 4.126 . 0 0 "[ . 1 . 2]" 1
462 1 112 VAL QG 1 113 ALA H 0.000 . 3.500 2.560 2.385 2.702 . 0 0 "[ . 1 . 2]" 1
463 1 112 VAL HB 1 113 ALA H 0.000 . 3.500 3.587 3.527 3.667 0.167 4 0 "[ . 1 . 2]" 1
464 1 85 VAL QG 1 113 ALA H 0.000 . 5.000 3.687 3.412 3.870 . 0 0 "[ . 1 . 2]" 1
465 1 113 ALA H 1 113 ALA MB 0.000 . 3.500 2.469 2.431 2.496 . 0 0 "[ . 1 . 2]" 1
466 1 84 LEU HB3 1 113 ALA H 0.000 . 5.000 4.173 3.864 4.461 . 0 0 "[ . 1 . 2]" 1
467 1 112 VAL HA 1 113 ALA H 0.000 . 2.700 2.131 2.088 2.171 . 0 0 "[ . 1 . 2]" 1
468 1 85 VAL HA 1 113 ALA H 0.000 . 5.000 2.372 2.181 2.676 . 0 0 "[ . 1 . 2]" 1
469 1 114 ILE H 1 114 ILE MD 0.000 . 5.000 3.340 2.867 3.508 . 0 0 "[ . 1 . 2]" 1
470 1 112 VAL HB 1 114 ILE H 0.000 . 3.500 3.658 3.627 3.732 0.232 16 0 "[ . 1 . 2]" 1
471 1 114 ILE H 1 150 LEU QD 0.000 . 3.500 2.586 2.413 2.787 . 0 0 "[ . 1 . 2]" 1
472 1 114 ILE H 1 114 ILE MG 0.000 . 3.500 3.714 3.682 3.728 0.228 2 0 "[ . 1 . 2]" 1
473 1 113 ALA MB 1 114 ILE H 0.000 . 3.500 3.571 3.556 3.583 0.083 3 0 "[ . 1 . 2]" 1
474 1 114 ILE H 1 114 ILE QG 0.000 . 3.500 1.831 1.638 1.981 . 0 0 "[ . 1 . 2]" 1
475 1 114 ILE H 1 149 LYS HB3 0.000 . 5.000 5.017 4.884 5.099 0.099 3 0 "[ . 1 . 2]" 1
476 1 114 ILE H 1 114 ILE HB 0.000 . 2.700 2.649 2.532 2.766 0.066 12 0 "[ . 1 . 2]" 1
477 1 114 ILE H 1 148 CYS QB 0.000 . 3.500 3.480 3.449 3.524 0.024 4 0 "[ . 1 . 2]" 1
478 1 114 ILE H 1 149 LYS HA 0.000 . 3.500 3.184 3.000 3.274 . 0 0 "[ . 1 . 2]" 1
479 1 113 ALA HA 1 114 ILE H 0.000 . 2.700 2.204 2.185 2.227 . 0 0 "[ . 1 . 2]" 1
480 1 113 ALA H 1 114 ILE H 0.000 . 3.500 3.626 3.601 3.655 0.155 7 0 "[ . 1 . 2]" 1
481 1 114 ILE H 1 150 LEU H 0.000 . 3.500 3.517 3.309 3.714 0.214 16 0 "[ . 1 . 2]" 1
482 1 114 ILE H 1 148 CYS H 0.000 . 3.500 3.471 3.178 3.585 0.085 13 0 "[ . 1 . 2]" 1
483 1 86 VAL QG 1 115 ASN H 0.000 . 3.500 3.125 2.857 3.493 . 0 0 "[ . 1 . 2]" 1
484 1 85 VAL QG 1 115 ASN H 0.000 . 3.500 3.506 3.438 3.583 0.083 13 0 "[ . 1 . 2]" 1
485 1 114 ILE MG 1 115 ASN H 0.000 . 3.500 3.398 3.312 3.530 0.030 20 0 "[ . 1 . 2]" 1
486 1 87 ALA MB 1 115 ASN H 0.000 . 3.500 3.584 3.529 3.680 0.180 5 0 "[ . 1 . 2]" 1
487 1 115 ASN H 1 115 ASN HB2 0.000 . 3.500 2.681 2.437 2.767 . 0 0 "[ . 1 . 2]" 1
488 1 115 ASN H 1 115 ASN HB3 0.000 . 3.500 2.520 2.461 2.707 . 0 0 "[ . 1 . 2]" 1
489 1 114 ILE HA 1 115 ASN H 0.000 . 2.700 2.252 2.214 2.331 . 0 0 "[ . 1 . 2]" 1
490 1 87 ALA HA 1 115 ASN H 0.000 . 3.500 2.217 2.037 2.350 . 0 0 "[ . 1 . 2]" 1
491 1 88 ALA H 1 115 ASN H 0.000 . 3.500 3.528 3.191 3.657 0.157 13 0 "[ . 1 . 2]" 1
492 1 117 MET H 1 117 MET QB 0.000 . 3.500 2.353 2.022 2.946 . 0 0 "[ . 1 . 2]" 1
493 1 117 MET H 1 117 MET QG 0.000 . 3.500 3.013 1.716 3.763 0.263 16 0 "[ . 1 . 2]" 1
494 1 116 LYS HA 1 117 MET H 0.000 . 3.500 2.919 2.483 3.148 . 0 0 "[ . 1 . 2]" 1
495 1 117 MET H 1 151 SER HA 0.000 . 5.000 3.599 3.136 4.074 . 0 0 "[ . 1 . 2]" 1
496 1 115 ASN HA 1 117 MET H 0.000 . 5.000 3.322 2.914 4.177 . 0 0 "[ . 1 . 2]" 1
497 1 117 MET H 1 118 ASP H 0.000 . 3.500 2.421 1.851 3.351 . 0 0 "[ . 1 . 2]" 1
498 1 117 MET QB 1 118 ASP H 0.000 . 5.000 3.558 2.365 3.989 . 0 0 "[ . 1 . 2]" 1
499 1 117 MET QG 1 118 ASP H 0.000 . 3.500 3.575 2.984 3.870 0.370 4 0 "[ . 1 . 2]" 1
500 1 118 ASP H 1 151 SER HB2 0.000 . 5.000 3.693 2.468 5.023 0.023 19 0 "[ . 1 . 2]" 1
501 1 118 ASP H 1 151 SER HB3 0.000 . 5.000 3.773 2.464 5.023 0.023 9 0 "[ . 1 . 2]" 1
502 1 117 MET HA 1 118 ASP H 0.000 . 5.000 3.157 2.449 3.467 . 0 0 "[ . 1 . 2]" 1
503 1 116 LYS HA 1 118 ASP H 0.000 . 3.500 3.151 2.697 3.609 0.109 10 0 "[ . 1 . 2]" 1
504 1 118 ASP H 1 151 SER HA 0.000 . 5.000 4.258 3.342 5.084 0.084 16 0 "[ . 1 . 2]" 1
505 1 118 ASP H 1 119 LYS H 0.000 . 3.500 2.927 2.146 3.747 0.247 10 0 "[ . 1 . 2]" 1
506 1 119 LYS H 1 120 PRO QD 0.000 . 5.000 4.085 1.443 4.453 . 0 0 "[ . 1 . 2]" 1
507 1 117 MET HA 1 119 LYS H 0.000 . 5.000 3.350 2.733 4.218 . 0 0 "[ . 1 . 2]" 1
508 1 120 PRO HB2 1 121 GLU H 0.000 . 3.500 2.766 2.015 3.658 0.158 2 0 "[ . 1 . 2]" 1
509 1 121 GLU H 1 121 GLU HB3 0.000 . 3.500 3.455 2.989 3.678 0.178 11 0 "[ . 1 . 2]" 1
510 1 120 PRO HG2 1 121 GLU H 0.000 . 3.500 2.904 2.072 3.555 0.055 1 0 "[ . 1 . 2]" 1
511 1 121 GLU H 1 121 GLU QG 0.000 . 3.500 3.081 1.604 3.732 0.232 15 0 "[ . 1 . 2]" 1
512 1 120 PRO HB3 1 121 GLU H 0.000 . 5.000 3.951 3.533 4.504 . 0 0 "[ . 1 . 2]" 1
513 1 121 GLU H 1 122 ALA HA 0.000 . 5.000 4.611 3.607 5.168 0.168 8 0 "[ . 1 . 2]" 1
514 1 120 PRO HD2 1 121 GLU H 0.000 . 5.000 3.146 2.276 3.739 . 0 0 "[ . 1 . 2]" 1
515 1 120 PRO HD3 1 121 GLU H 0.000 . 5.000 4.143 3.602 4.426 . 0 0 "[ . 1 . 2]" 1
516 1 119 LYS H 1 121 GLU H 0.000 . 5.000 4.516 2.832 5.086 0.086 18 0 "[ . 1 . 2]" 1
517 1 121 GLU H 1 122 ALA H 0.000 . 3.500 3.286 1.426 3.752 0.252 20 0 "[ . 1 . 2]" 1
518 1 88 ALA MB 1 122 ALA H 0.000 . 5.000 3.182 2.281 4.439 . 0 0 "[ . 1 . 2]" 1
519 1 122 ALA H 1 122 ALA MB 0.000 . 3.500 2.380 2.229 2.985 . 0 0 "[ . 1 . 2]" 1
520 1 117 MET QB 1 122 ALA H 0.000 . 5.000 4.621 2.891 5.042 0.042 17 0 "[ . 1 . 2]" 1
521 1 121 GLU HB3 1 122 ALA H 0.000 . 5.000 4.225 3.438 4.575 . 0 0 "[ . 1 . 2]" 1
522 1 121 GLU HG3 1 122 ALA H 0.000 . 5.000 4.081 1.198 4.994 . 0 0 "[ . 1 . 2]" 1
523 1 121 GLU HG2 1 122 ALA H 0.000 . 5.000 4.541 2.401 5.086 0.086 6 0 "[ . 1 . 2]" 1
524 1 121 GLU HA 1 122 ALA H 0.000 . 5.000 2.515 1.994 3.516 . 0 0 "[ . 1 . 2]" 1
525 1 122 ALA H 1 123 ASN H 0.000 . 5.000 3.451 2.605 4.550 . 0 0 "[ . 1 . 2]" 1
526 1 88 ALA MB 1 123 ASN H 0.000 . 5.000 4.148 3.178 4.939 . 0 0 "[ . 1 . 2]" 1
527 1 122 ALA MB 1 123 ASN H 0.000 . 3.500 2.136 1.668 3.409 . 0 0 "[ . 1 . 2]" 1
528 1 123 ASN H 1 123 ASN HB3 0.000 . 3.500 3.209 2.743 3.598 0.098 20 0 "[ . 1 . 2]" 1
529 1 123 ASN H 1 123 ASN HB2 0.000 . 3.500 3.440 3.025 3.742 0.242 1 0 "[ . 1 . 2]" 1
530 1 123 ASN H 1 124 PRO HD3 0.000 . 5.000 3.172 2.665 3.804 . 0 0 "[ . 1 . 2]" 1
531 1 122 ALA HA 1 123 ASN H 0.000 . 3.500 3.281 2.156 3.553 0.053 7 0 "[ . 1 . 2]" 1
532 1 123 ASN H 1 124 PRO HD2 0.000 . 5.000 3.521 2.882 4.088 . 0 0 "[ . 1 . 2]" 1
533 1 89 ASP HA 1 123 ASN H 0.000 . 5.000 4.146 3.059 5.092 0.092 20 0 "[ . 1 . 2]" 1
534 1 114 ILE MG 1 125 ASP H 0.000 . 7.000 6.624 5.876 7.011 0.011 14 0 "[ . 1 . 2]" 1
535 1 125 ASP H 1 127 VAL QG 0.000 . 5.000 4.997 4.870 5.067 0.067 2 0 "[ . 1 . 2]" 1
536 1 124 PRO HB2 1 125 ASP H 0.000 . 5.000 2.156 1.722 2.562 . 0 0 "[ . 1 . 2]" 1
537 1 124 PRO HB3 1 125 ASP H 0.000 . 3.500 3.548 2.833 3.901 0.401 11 0 "[ . 1 . 2]" 1
538 1 125 ASP H 1 125 ASP QB 0.000 . 3.500 2.409 2.212 2.705 . 0 0 "[ . 1 . 2]" 1
539 1 124 PRO HD3 1 125 ASP H 0.000 . 5.000 4.566 4.330 4.947 . 0 0 "[ . 1 . 2]" 1
540 1 124 PRO HD2 1 125 ASP H 0.000 . 5.000 3.832 3.468 4.356 . 0 0 "[ . 1 . 2]" 1
541 1 124 PRO HA 1 125 ASP H 0.000 . 5.000 3.576 3.519 3.598 . 0 0 "[ . 1 . 2]" 1
542 1 123 ASN HA 1 125 ASP H 0.000 . 5.000 4.142 3.823 4.568 . 0 0 "[ . 1 . 2]" 1
543 1 125 ASP H 1 126 ARG H 0.000 . 3.500 3.017 2.844 3.131 . 0 0 "[ . 1 . 2]" 1
544 1 126 ARG H 1 127 VAL QG 0.000 . 5.000 4.100 3.965 4.239 . 0 0 "[ . 1 . 2]" 1
545 1 126 ARG H 1 126 ARG HG3 0.000 . 5.000 4.496 4.360 4.621 . 0 0 "[ . 1 . 2]" 1
546 1 126 ARG H 1 126 ARG HB2 0.000 . 3.500 2.526 2.418 2.659 . 0 0 "[ . 1 . 2]" 1
547 1 126 ARG H 1 126 ARG HB3 0.000 . 3.500 2.520 2.398 2.652 . 0 0 "[ . 1 . 2]" 1
548 1 126 ARG H 1 127 VAL HB 0.000 . 5.000 4.963 4.807 5.047 0.047 2 0 "[ . 1 . 2]" 1
549 1 125 ASP QB 1 126 ARG H 0.000 . 3.500 2.367 2.215 2.519 . 0 0 "[ . 1 . 2]" 1
550 1 126 ARG H 1 126 ARG QD 0.000 . 5.000 4.186 3.997 4.365 . 0 0 "[ . 1 . 2]" 1
551 1 124 PRO HA 1 126 ARG H 0.000 . 5.000 4.788 4.500 5.037 0.037 13 0 "[ . 1 . 2]" 1
552 1 125 ASP HA 1 126 ARG H 0.000 . 5.000 3.572 3.554 3.592 . 0 0 "[ . 1 . 2]" 1
553 1 126 ARG H 1 127 VAL H 0.000 . 3.500 2.845 2.710 2.939 . 0 0 "[ . 1 . 2]" 1
554 1 127 VAL H 1 127 VAL QG 0.000 . 3.500 1.943 1.819 2.066 . 0 0 "[ . 1 . 2]" 1
555 1 126 ARG HG3 1 127 VAL H 0.000 . 5.000 3.727 2.798 4.613 . 0 0 "[ . 1 . 2]" 1
556 1 126 ARG HB2 1 127 VAL H 0.000 . 3.500 3.582 3.544 3.647 0.147 19 0 "[ . 1 . 2]" 1
557 1 126 ARG HB3 1 127 VAL H 0.000 . 3.500 2.140 2.044 2.206 . 0 0 "[ . 1 . 2]" 1
558 1 127 VAL H 1 127 VAL HB 0.000 . 3.500 2.606 2.544 2.703 . 0 0 "[ . 1 . 2]" 1
559 1 125 ASP QB 1 127 VAL H 0.000 . 5.000 4.800 4.725 4.877 . 0 0 "[ . 1 . 2]" 1
560 1 126 ARG QD 1 127 VAL H 0.000 . 5.000 3.541 2.337 4.339 . 0 0 "[ . 1 . 2]" 1
561 1 126 ARG HA 1 127 VAL H 0.000 . 5.000 3.507 3.485 3.535 . 0 0 "[ . 1 . 2]" 1
562 1 124 PRO HA 1 127 VAL H 0.000 . 5.000 3.975 3.650 4.715 . 0 0 "[ . 1 . 2]" 1
563 1 127 VAL H 1 128 MET H 0.000 . 3.500 2.724 2.601 2.840 . 0 0 "[ . 1 . 2]" 1
564 1 127 VAL QG 1 128 MET H 0.000 . 3.500 3.179 3.126 3.239 . 0 0 "[ . 1 . 2]" 1
565 1 127 VAL HB 1 128 MET H 0.000 . 3.500 2.519 2.391 2.622 . 0 0 "[ . 1 . 2]" 1
566 1 125 ASP HA 1 128 MET H 0.000 . 5.000 3.444 3.251 3.832 . 0 0 "[ . 1 . 2]" 1
567 1 126 ARG H 1 128 MET H 0.000 . 5.000 4.016 3.789 4.119 . 0 0 "[ . 1 . 2]" 1
568 1 127 VAL QG 1 129 GLN H 0.000 . 5.000 4.500 4.424 4.603 . 0 0 "[ . 1 . 2]" 1
569 1 128 MET HB2 1 129 GLN H 0.000 . 5.000 2.857 2.709 3.042 . 0 0 "[ . 1 . 2]" 1
570 1 126 ARG QG 1 129 GLN H 0.000 . 5.000 5.063 5.003 5.119 0.119 12 0 "[ . 1 . 2]" 1
571 1 126 ARG QD 1 129 GLN H 0.000 . 5.000 4.727 3.965 4.915 . 0 0 "[ . 1 . 2]" 1
572 1 128 MET HA 1 129 GLN H 0.000 . 5.000 3.510 3.485 3.549 . 0 0 "[ . 1 . 2]" 1
573 1 127 VAL HA 1 129 GLN H 0.000 . 5.000 4.244 4.086 4.471 . 0 0 "[ . 1 . 2]" 1
574 1 126 ARG HA 1 129 GLN H 0.000 . 5.000 3.615 3.358 3.790 . 0 0 "[ . 1 . 2]" 1
575 1 125 ASP HA 1 129 GLN H 0.000 . 5.000 3.946 3.802 4.075 . 0 0 "[ . 1 . 2]" 1
576 1 129 GLN H 1 141 TRP HZ3 0.000 . 5.000 4.682 4.465 4.882 . 0 0 "[ . 1 . 2]" 1
577 1 129 GLN H 1 141 TRP HH2 0.000 . 5.000 2.874 2.664 3.031 . 0 0 "[ . 1 . 2]" 1
578 1 129 GLN H 1 131 LEU H 0.000 . 5.000 3.906 3.767 3.987 . 0 0 "[ . 1 . 2]" 1
579 1 130 GLU H 1 130 GLU QG 0.000 . 3.500 1.998 1.709 3.343 . 0 0 "[ . 1 . 2]" 1
580 1 128 MET HA 1 130 GLU H 0.000 . 5.000 4.096 3.956 4.413 . 0 0 "[ . 1 . 2]" 1
581 1 127 VAL HA 1 130 GLU H 0.000 . 5.000 3.477 3.232 3.810 . 0 0 "[ . 1 . 2]" 1
582 1 129 GLN HA 1 130 GLU H 0.000 . 5.000 3.463 3.416 3.512 . 0 0 "[ . 1 . 2]" 1
583 1 130 GLU H 1 141 TRP HZ3 0.000 . 7.000 5.800 5.587 6.028 . 0 0 "[ . 1 . 2]" 1
584 1 130 GLU H 1 141 TRP HH2 0.000 . 7.000 4.819 4.648 4.925 . 0 0 "[ . 1 . 2]" 1
585 1 129 GLN H 1 130 GLU H 0.000 . 3.500 2.435 2.286 2.534 . 0 0 "[ . 1 . 2]" 1
586 1 130 GLU H 1 131 LEU H 0.000 . 3.500 2.483 2.340 2.583 . 0 0 "[ . 1 . 2]" 1
587 1 131 LEU H 1 131 LEU MD1 0.000 . 3.500 3.673 3.585 3.862 0.362 2 0 "[ . 1 . 2]" 1
588 1 131 LEU H 1 131 LEU MD2 0.000 . 3.500 2.290 2.052 3.895 0.395 2 0 "[ . 1 . 2]" 1
589 1 127 VAL QG 1 131 LEU H 0.000 . 5.000 4.247 4.073 4.459 . 0 0 "[ . 1 . 2]" 1
590 1 131 LEU H 1 131 LEU HB3 0.000 . 3.500 3.477 2.325 3.560 0.060 15 0 "[ . 1 . 2]" 1
591 1 130 GLU HB2 1 131 LEU H 0.000 . 3.500 2.976 2.524 4.340 0.840 7 3 "[ . + 1 -* . 2]" 1
592 1 130 GLU QG 1 131 LEU H 0.000 . 3.500 3.400 2.411 3.589 0.089 15 0 "[ . 1 . 2]" 1
593 1 128 MET HA 1 131 LEU H 0.000 . 5.000 3.303 3.165 3.506 . 0 0 "[ . 1 . 2]" 1
594 1 127 VAL HA 1 131 LEU H 0.000 . 5.000 4.699 4.452 4.888 . 0 0 "[ . 1 . 2]" 1
595 1 130 GLU HA 1 131 LEU H 0.000 . 5.000 3.512 3.480 3.544 . 0 0 "[ . 1 . 2]" 1
596 1 129 GLN HA 1 131 LEU H 0.000 . 5.000 3.927 3.782 4.032 . 0 0 "[ . 1 . 2]" 1
597 1 131 LEU H 1 147 PHE QE 0.000 . 5.000 4.420 4.134 5.080 0.080 2 0 "[ . 1 . 2]" 1
598 1 131 LEU H 1 141 TRP HH2 0.000 . 5.000 5.306 5.254 5.357 0.357 8 0 "[ . 1 . 2]" 1
599 1 131 LEU H 1 133 GLU H 0.000 . 5.000 3.513 3.442 3.616 . 0 0 "[ . 1 . 2]" 1
600 1 131 LEU H 1 132 MET H 0.000 . 3.500 2.514 2.452 2.557 . 0 0 "[ . 1 . 2]" 1
601 1 131 LEU MD1 1 132 MET H 0.000 . 5.000 4.506 4.433 4.562 . 0 0 "[ . 1 . 2]" 1
602 1 131 LEU MD2 1 132 MET H 0.000 . 5.000 3.956 3.092 4.088 . 0 0 "[ . 1 . 2]" 1
603 1 132 MET H 1 132 MET HG2 0.000 . 3.500 3.313 3.257 3.387 . 0 0 "[ . 1 . 2]" 1
604 1 132 MET H 1 132 MET HG3 0.000 . 3.500 2.536 2.393 2.721 . 0 0 "[ . 1 . 2]" 1
605 1 132 MET H 1 132 MET HB3 0.000 . 3.500 2.410 2.358 2.460 . 0 0 "[ . 1 . 2]" 1
606 1 128 MET HA 1 132 MET H 0.000 . 5.000 4.301 4.153 4.569 . 0 0 "[ . 1 . 2]" 1
607 1 130 GLU HA 1 132 MET H 0.000 . 5.000 4.554 4.368 4.783 . 0 0 "[ . 1 . 2]" 1
608 1 129 GLN HA 1 132 MET H 0.000 . 5.000 3.095 2.924 3.242 . 0 0 "[ . 1 . 2]" 1
609 1 131 LEU HA 1 132 MET H 0.000 . 5.000 3.511 3.495 3.534 . 0 0 "[ . 1 . 2]" 1
610 1 132 MET H 1 141 TRP HZ3 0.000 . 5.000 3.992 3.821 4.215 . 0 0 "[ . 1 . 2]" 1
611 1 132 MET H 1 141 TRP HH2 0.000 . 5.000 4.723 4.608 4.840 . 0 0 "[ . 1 . 2]" 1
612 1 132 MET H 1 147 PHE QE 0.000 . 5.000 4.688 4.442 5.012 0.012 2 0 "[ . 1 . 2]" 1
613 1 132 MET H 1 133 GLU H 0.000 . 3.500 2.519 2.450 2.577 . 0 0 "[ . 1 . 2]" 1
614 1 133 GLU H 1 136 LEU QD 0.000 . 5.000 4.822 4.466 5.075 0.075 12 0 "[ . 1 . 2]" 1
615 1 131 LEU MD2 1 133 GLU H 0.000 . 7.000 4.825 4.689 4.940 . 0 0 "[ . 1 . 2]" 1
616 1 133 GLU H 1 133 GLU HB2 0.000 . 3.500 2.650 2.334 2.798 . 0 0 "[ . 1 . 2]" 1
617 1 133 GLU H 1 133 GLU HB3 0.000 . 3.500 2.504 2.320 2.761 . 0 0 "[ . 1 . 2]" 1
618 1 133 GLU H 1 133 GLU HG2 0.000 . 5.000 4.497 4.304 4.652 . 0 0 "[ . 1 . 2]" 1
619 1 133 GLU H 1 133 GLU HG3 0.000 . 5.000 4.481 4.289 4.570 . 0 0 "[ . 1 . 2]" 1
620 1 132 MET HG2 1 133 GLU H 0.000 . 5.000 4.479 4.364 4.597 . 0 0 "[ . 1 . 2]" 1
621 1 132 MET HG3 1 133 GLU H 0.000 . 5.000 2.843 2.706 2.971 . 0 0 "[ . 1 . 2]" 1
622 1 132 MET HB2 1 133 GLU H 0.000 . 5.000 4.385 4.302 4.444 . 0 0 "[ . 1 . 2]" 1
623 1 132 MET HB3 1 133 GLU H 0.000 . 5.000 4.173 4.081 4.234 . 0 0 "[ . 1 . 2]" 1
624 1 132 MET HA 1 133 GLU H 0.000 . 5.000 3.325 3.275 3.371 . 0 0 "[ . 1 . 2]" 1
625 1 130 GLU HA 1 133 GLU H 0.000 . 5.000 3.307 3.094 3.624 . 0 0 "[ . 1 . 2]" 1
626 1 129 GLN HA 1 133 GLU H 0.000 . 7.000 4.187 3.994 4.338 . 0 0 "[ . 1 . 2]" 1
627 1 131 LEU HA 1 133 GLU H 0.000 . 5.000 3.605 3.527 3.699 . 0 0 "[ . 1 . 2]" 1
628 1 133 GLU H 1 134 TYR QE 0.000 . 5.000 5.181 5.072 5.358 0.358 15 0 "[ . 1 . 2]" 1
629 1 133 GLU H 1 134 TYR QD 0.000 . 5.000 4.269 4.008 4.615 . 0 0 "[ . 1 . 2]" 1
630 1 133 GLU H 1 135 ASN H 0.000 . 5.000 3.376 3.266 3.598 . 0 0 "[ . 1 . 2]" 1
631 1 130 GLU H 1 133 GLU H 0.000 . 5.000 4.536 4.423 4.756 . 0 0 "[ . 1 . 2]" 1
632 1 100 ILE MD 1 134 TYR H 0.000 . 5.000 5.189 5.093 5.264 0.264 17 0 "[ . 1 . 2]" 1
633 1 131 LEU MD1 1 134 TYR H 0.000 . 5.000 4.416 4.262 5.173 0.173 2 0 "[ . 1 . 2]" 1
634 1 131 LEU MD2 1 134 TYR H 0.000 . 5.000 5.237 5.156 5.289 0.289 6 0 "[ . 1 . 2]" 1
635 1 133 GLU HB2 1 134 TYR H 0.000 . 5.000 3.976 3.656 4.145 . 0 0 "[ . 1 . 2]" 1
636 1 133 GLU HB3 1 134 TYR H 0.000 . 5.000 2.818 2.668 2.999 . 0 0 "[ . 1 . 2]" 1
637 1 133 GLU HG2 1 134 TYR H 0.000 . 5.000 4.428 3.783 5.123 0.123 2 0 "[ . 1 . 2]" 1
638 1 133 GLU HG3 1 134 TYR H 0.000 . 5.000 4.548 3.591 5.048 0.048 5 0 "[ . 1 . 2]" 1
639 1 132 MET QG 1 134 TYR H 0.000 . 5.000 4.869 4.815 4.926 . 0 0 "[ . 1 . 2]" 1
640 1 134 TYR H 1 134 TYR HB2 0.000 . 3.500 2.568 2.482 2.696 . 0 0 "[ . 1 . 2]" 1
641 1 132 MET QB 1 134 TYR H 0.000 . 5.000 5.038 5.011 5.084 0.084 5 0 "[ . 1 . 2]" 1
642 1 133 GLU HA 1 134 TYR H 0.000 . 5.000 3.537 3.509 3.564 . 0 0 "[ . 1 . 2]" 1
643 1 134 TYR H 1 135 ASN HA 0.000 . 5.000 4.585 4.483 4.735 . 0 0 "[ . 1 . 2]" 1
644 1 131 LEU HA 1 134 TYR H 0.000 . 5.000 3.277 3.205 3.342 . 0 0 "[ . 1 . 2]" 1
645 1 134 TYR H 1 134 TYR QE 0.000 . 5.000 4.299 4.192 4.449 . 0 0 "[ . 1 . 2]" 1
646 1 134 TYR H 1 134 TYR QD 0.000 . 3.500 2.819 2.604 3.043 . 0 0 "[ . 1 . 2]" 1
647 1 134 TYR H 1 136 LEU H 0.000 . 5.000 3.465 3.190 3.932 . 0 0 "[ . 1 . 2]" 1
648 1 134 TYR H 1 135 ASN H 0.000 . 3.500 2.402 2.264 2.637 . 0 0 "[ . 1 . 2]" 1
649 1 135 ASN H 1 136 LEU QD 0.000 . 5.000 3.520 2.944 4.435 . 0 0 "[ . 1 . 2]" 1
650 1 135 ASN H 1 137 VAL QG 0.000 . 5.000 4.759 4.560 4.914 . 0 0 "[ . 1 . 2]" 1
651 1 135 ASN H 1 136 LEU QB 0.000 . 5.000 4.635 4.306 4.863 . 0 0 "[ . 1 . 2]" 1
652 1 134 TYR HB2 1 135 ASN H 0.000 . 5.000 3.637 3.345 3.906 . 0 0 "[ . 1 . 2]" 1
653 1 134 TYR HB3 1 135 ASN H 0.000 . 5.000 4.400 4.232 4.492 . 0 0 "[ . 1 . 2]" 1
654 1 132 MET HA 1 135 ASN H 0.000 . 5.000 2.836 2.636 3.001 . 0 0 "[ . 1 . 2]" 1
655 1 133 GLU HA 1 135 ASN H 0.000 . 5.000 3.371 3.210 3.581 . 0 0 "[ . 1 . 2]" 1
656 1 134 TYR HA 1 135 ASN H 0.000 . 5.000 3.126 2.981 3.250 . 0 0 "[ . 1 . 2]" 1
657 1 135 ASN H 1 136 LEU HA 0.000 . 5.000 5.066 5.023 5.120 0.120 17 0 "[ . 1 . 2]" 1
658 1 135 ASN H 1 136 LEU H 0.000 . 3.500 2.418 2.341 2.489 . 0 0 "[ . 1 . 2]" 1
659 1 136 LEU H 1 136 LEU QD 0.000 . 3.500 2.410 2.003 3.195 . 0 0 "[ . 1 . 2]" 1
660 1 136 LEU H 1 137 VAL QG 0.000 . 5.000 4.034 3.789 4.173 . 0 0 "[ . 1 . 2]" 1
661 1 136 LEU H 1 136 LEU QB 0.000 . 3.500 2.608 2.200 3.044 . 0 0 "[ . 1 . 2]" 1
662 1 136 LEU H 1 136 LEU HG 0.000 . 5.000 3.192 2.319 4.517 . 0 0 "[ . 1 . 2]" 1
663 1 134 TYR HB2 1 136 LEU H 0.000 . 5.000 3.533 3.168 3.858 . 0 0 "[ . 1 . 2]" 1
664 1 135 ASN HB2 1 136 LEU H 0.000 . 5.000 4.258 3.934 4.542 . 0 0 "[ . 1 . 2]" 1
665 1 135 ASN HB3 1 136 LEU H 0.000 . 5.000 4.266 3.887 4.459 . 0 0 "[ . 1 . 2]" 1
666 1 134 TYR HB3 1 136 LEU H 0.000 . 5.000 4.780 4.399 5.020 0.020 20 0 "[ . 1 . 2]" 1
667 1 132 MET HA 1 136 LEU H 0.000 . 3.500 2.129 1.736 2.617 . 0 0 "[ . 1 . 2]" 1
668 1 135 ASN HA 1 136 LEU H 0.000 . 3.500 2.853 2.683 3.048 . 0 0 "[ . 1 . 2]" 1
669 1 134 TYR HA 1 136 LEU H 0.000 . 5.000 4.677 4.409 5.007 0.007 2 0 "[ . 1 . 2]" 1
670 1 136 LEU H 1 137 VAL H 0.000 . 3.500 3.608 3.535 3.714 0.214 19 0 "[ . 1 . 2]" 1
671 1 136 LEU QD 1 137 VAL H 0.000 . 5.000 4.363 3.190 4.509 . 0 0 "[ . 1 . 2]" 1
672 1 137 VAL H 1 137 VAL QG 0.000 . 3.500 1.740 1.660 2.250 . 0 0 "[ . 1 . 2]" 1
673 1 136 LEU HG 1 137 VAL H 0.000 . 5.000 4.609 4.485 5.282 0.282 19 0 "[ . 1 . 2]" 1
674 1 136 LEU QB 1 137 VAL H 0.000 . 5.000 3.764 3.592 3.834 . 0 0 "[ . 1 . 2]" 1
675 1 137 VAL H 1 137 VAL HB 0.000 . 3.500 3.122 2.424 3.344 . 0 0 "[ . 1 . 2]" 1
676 1 132 MET HB2 1 137 VAL H 0.000 . 5.000 4.209 3.884 4.531 . 0 0 "[ . 1 . 2]" 1
677 1 137 VAL H 1 138 PRO HD2 0.000 . 5.000 4.872 4.780 4.948 . 0 0 "[ . 1 . 2]" 1
678 1 137 VAL H 1 143 GLY HA3 0.000 . 5.000 3.289 2.853 3.470 . 0 0 "[ . 1 . 2]" 1
679 1 137 VAL H 1 138 PRO HD3 0.000 . 5.000 4.554 4.399 4.657 . 0 0 "[ . 1 . 2]" 1
680 1 137 VAL H 1 145 THR HB 0.000 . 5.000 4.772 4.007 5.042 0.042 2 0 "[ . 1 . 2]" 1
681 1 135 ASN HA 1 137 VAL H 0.000 . 5.000 4.026 3.807 4.347 . 0 0 "[ . 1 . 2]" 1
682 1 137 VAL H 1 143 GLY HA2 0.000 . 7.000 4.544 4.047 4.838 . 0 0 "[ . 1 . 2]" 1
683 1 136 LEU HA 1 137 VAL H 0.000 . 3.500 2.210 1.983 2.362 . 0 0 "[ . 1 . 2]" 1
684 1 137 VAL H 1 145 THR H 0.000 . 5.000 5.013 4.777 5.087 0.087 15 0 "[ . 1 . 2]" 1
685 1 138 PRO HG3 1 139 GLU H 0.000 . 5.000 4.672 4.585 4.827 . 0 0 "[ . 1 . 2]" 1
686 1 138 PRO HG2 1 139 GLU H 0.000 . 5.000 5.199 5.150 5.232 0.232 14 0 "[ . 1 . 2]" 1
687 1 138 PRO HB2 1 139 GLU H 0.000 . 5.000 3.444 3.369 3.534 . 0 0 "[ . 1 . 2]" 1
688 1 138 PRO HB3 1 139 GLU H 0.000 . 5.000 2.893 2.798 2.994 . 0 0 "[ . 1 . 2]" 1
689 1 139 GLU H 1 139 GLU HB3 0.000 . 3.500 3.314 2.702 3.650 0.150 7 0 "[ . 1 . 2]" 1
690 1 139 GLU H 1 139 GLU HG3 0.000 . 5.000 4.004 2.533 4.522 . 0 0 "[ . 1 . 2]" 1
691 1 139 GLU H 1 139 GLU HG2 0.000 . 5.000 3.332 2.352 4.312 . 0 0 "[ . 1 . 2]" 1
692 1 139 GLU H 1 145 THR HB 0.000 . 5.000 3.978 3.686 4.307 . 0 0 "[ . 1 . 2]" 1
693 1 138 PRO HA 1 139 GLU H 0.000 . 3.500 2.195 2.144 2.247 . 0 0 "[ . 1 . 2]" 1
694 1 139 GLU H 1 147 PHE QE 0.000 . 5.000 4.567 4.226 4.739 . 0 0 "[ . 1 . 2]" 1
695 1 139 GLU H 1 147 PHE QD 0.000 . 5.000 3.134 2.887 3.391 . 0 0 "[ . 1 . 2]" 1
696 1 139 GLU H 1 141 TRP H 0.000 . 5.000 3.798 3.688 3.901 . 0 0 "[ . 1 . 2]" 1
697 1 139 GLU H 1 142 GLY H 0.000 . 5.000 4.387 4.241 4.473 . 0 0 "[ . 1 . 2]" 1
698 1 139 GLU H 1 145 THR H 0.000 . 5.000 3.407 3.205 3.646 . 0 0 "[ . 1 . 2]" 1
699 1 139 GLU H 1 140 GLU H 0.000 . 5.000 2.324 2.241 2.438 . 0 0 "[ . 1 . 2]" 1
700 1 138 PRO HB2 1 140 GLU H 0.000 . 5.000 3.059 2.646 3.279 . 0 0 "[ . 1 . 2]" 1
701 1 138 PRO HB3 1 140 GLU H 0.000 . 5.000 3.002 2.646 3.139 . 0 0 "[ . 1 . 2]" 1
702 1 140 GLU H 1 140 GLU HG2 0.000 . 3.500 2.391 1.663 3.888 0.388 18 0 "[ . 1 . 2]" 1
703 1 139 GLU HB3 1 140 GLU H 0.000 . 3.500 3.405 2.747 3.987 0.487 9 0 "[ . 1 . 2]" 1
704 1 140 GLU H 1 140 GLU HB2 0.000 . 3.500 2.910 2.233 3.387 . 0 0 "[ . 1 . 2]" 1
705 1 139 GLU HG2 1 140 GLU H 0.000 . 5.000 4.786 4.330 5.060 0.060 15 0 "[ . 1 . 2]" 1
706 1 139 GLU HA 1 140 GLU H 0.000 . 5.000 3.461 3.348 3.506 . 0 0 "[ . 1 . 2]" 1
707 1 140 GLU H 1 141 TRP H 0.000 . 3.500 2.707 2.302 2.927 . 0 0 "[ . 1 . 2]" 1
708 1 140 GLU H 1 142 GLY H 0.000 . 5.000 4.053 3.852 4.257 . 0 0 "[ . 1 . 2]" 1
709 1 138 PRO HG2 1 141 TRP H 0.000 . 5.000 4.256 3.894 4.466 . 0 0 "[ . 1 . 2]" 1
710 1 138 PRO HB2 1 141 TRP H 0.000 . 3.500 2.151 1.963 2.269 . 0 0 "[ . 1 . 2]" 1
711 1 138 PRO HB3 1 141 TRP H 0.000 . 5.000 3.558 3.530 3.644 . 0 0 "[ . 1 . 2]" 1
712 1 139 GLU HB3 1 141 TRP H 0.000 . 5.000 5.167 4.926 5.412 0.412 8 0 "[ . 1 . 2]" 1
713 1 140 GLU HB2 1 141 TRP H 0.000 . 5.000 2.645 2.244 2.965 . 0 0 "[ . 1 . 2]" 1
714 1 138 PRO HD2 1 141 TRP H 0.000 . 5.000 4.476 4.206 4.650 . 0 0 "[ . 1 . 2]" 1
715 1 141 TRP H 1 142 GLY HA3 0.000 . 5.000 4.904 4.824 4.955 . 0 0 "[ . 1 . 2]" 1
716 1 139 GLU HA 1 141 TRP H 0.000 . 5.000 3.705 3.456 3.950 . 0 0 "[ . 1 . 2]" 1
717 1 140 GLU HA 1 141 TRP H 0.000 . 5.000 3.500 3.447 3.524 . 0 0 "[ . 1 . 2]" 1
718 1 141 TRP H 1 142 GLY HA2 0.000 . 7.000 4.517 4.375 4.601 . 0 0 "[ . 1 . 2]" 1
719 1 141 TRP H 1 142 GLY H 0.000 . 3.500 2.234 2.155 2.296 . 0 0 "[ . 1 . 2]" 1
720 1 137 VAL QG 1 142 GLY H 0.000 . 5.000 3.901 2.707 4.369 . 0 0 "[ . 1 . 2]" 1
721 1 138 PRO HB3 1 142 GLY H 0.000 . 5.000 5.213 5.104 5.263 0.263 12 0 "[ . 1 . 2]" 1
722 1 139 GLU QB 1 142 GLY H 0.000 . 5.000 4.575 4.388 4.683 . 0 0 "[ . 1 . 2]" 1
723 1 140 GLU HB2 1 142 GLY H 0.000 . 5.000 4.783 4.442 5.021 0.021 20 0 "[ . 1 . 2]" 1
724 1 141 TRP HB2 1 142 GLY H 0.000 . 5.000 2.994 2.794 3.124 . 0 0 "[ . 1 . 2]" 1
725 1 141 TRP HB3 1 142 GLY H 0.000 . 5.000 4.095 3.960 4.201 . 0 0 "[ . 1 . 2]" 1
726 1 139 GLU HA 1 142 GLY H 0.000 . 5.000 2.763 2.546 3.006 . 0 0 "[ . 1 . 2]" 1
727 1 140 GLU HA 1 142 GLY H 0.000 . 5.000 4.715 4.598 4.958 . 0 0 "[ . 1 . 2]" 1
728 1 141 TRP HA 1 142 GLY H 0.000 . 5.000 3.484 3.456 3.521 . 0 0 "[ . 1 . 2]" 1
729 1 137 VAL QG 1 143 GLY H 0.000 . 3.500 3.182 2.023 3.508 0.008 2 0 "[ . 1 . 2]" 1
730 1 139 GLU QB 1 143 GLY H 0.000 . 5.000 4.928 4.785 5.074 0.074 20 0 "[ . 1 . 2]" 1
731 1 137 VAL HB 1 143 GLY H 0.000 . 5.000 2.695 2.396 3.484 . 0 0 "[ . 1 . 2]" 1
732 1 141 TRP HB2 1 143 GLY H 0.000 . 5.000 3.573 3.448 3.696 . 0 0 "[ . 1 . 2]" 1
733 1 142 GLY HA3 1 143 GLY H 0.000 . 5.000 3.448 3.420 3.476 . 0 0 "[ . 1 . 2]" 1
734 1 139 GLU HA 1 143 GLY H 0.000 . 3.500 2.897 2.706 3.035 . 0 0 "[ . 1 . 2]" 1
735 1 140 GLU HA 1 143 GLY H 0.000 . 7.000 6.429 6.272 6.629 . 0 0 "[ . 1 . 2]" 1
736 1 142 GLY HA2 1 143 GLY H 0.000 . 5.000 2.986 2.920 3.077 . 0 0 "[ . 1 . 2]" 1
737 1 141 TRP HA 1 143 GLY H 0.000 . 5.000 5.101 5.045 5.143 0.143 20 0 "[ . 1 . 2]" 1
738 1 141 TRP H 1 143 GLY H 0.000 . 5.000 3.687 3.613 3.796 . 0 0 "[ . 1 . 2]" 1
739 1 143 GLY H 1 144 ASP H 0.000 . 3.500 3.467 3.292 3.548 0.048 3 0 "[ . 1 . 2]" 1
740 1 143 GLY H 1 145 THR H 0.000 . 5.000 3.975 3.844 4.055 . 0 0 "[ . 1 . 2]" 1
741 1 139 GLU H 1 143 GLY H 0.000 . 5.000 4.560 4.448 4.697 . 0 0 "[ . 1 . 2]" 1
742 1 137 VAL QG 1 144 ASP H 0.000 . 3.500 3.146 2.892 3.555 0.055 20 0 "[ . 1 . 2]" 1
743 1 137 VAL HB 1 144 ASP H 0.000 . 3.500 3.340 2.950 3.551 0.051 1 0 "[ . 1 . 2]" 1
744 1 143 GLY HA3 1 144 ASP H 0.000 . 3.500 2.132 2.097 2.177 . 0 0 "[ . 1 . 2]" 1
745 1 144 ASP H 1 145 THR HB 0.000 . 5.000 3.845 3.698 4.010 . 0 0 "[ . 1 . 2]" 1
746 1 139 GLU HA 1 144 ASP H 0.000 . 5.000 4.515 4.136 4.836 . 0 0 "[ . 1 . 2]" 1
747 1 143 GLY HA2 1 144 ASP H 0.000 . 3.500 3.335 3.292 3.409 . 0 0 "[ . 1 . 2]" 1
748 1 136 LEU HA 1 144 ASP H 0.000 . 5.000 4.272 3.859 4.563 . 0 0 "[ . 1 . 2]" 1
749 1 144 ASP H 1 145 THR H 0.000 . 3.500 2.091 1.890 2.226 . 0 0 "[ . 1 . 2]" 1
750 1 145 THR H 1 145 THR HG1 0.000 . 3.500 2.952 2.818 3.070 . 0 0 "[ . 1 . 2]" 1
751 1 139 GLU HB3 1 145 THR H 0.000 . 5.000 5.181 4.952 5.516 0.516 17 1 "[ . 1 . + 2]" 1
752 1 139 GLU HG3 1 145 THR H 0.000 . 5.000 4.536 3.030 5.102 0.102 5 0 "[ . 1 . 2]" 1
753 1 139 GLU HG2 1 145 THR H 0.000 . 5.000 3.260 2.293 4.420 . 0 0 "[ . 1 . 2]" 1
754 1 144 ASP HB2 1 145 THR H 0.000 . 5.000 4.455 4.273 4.540 . 0 0 "[ . 1 . 2]" 1
755 1 144 ASP HB3 1 145 THR H 0.000 . 5.000 4.594 4.091 4.702 . 0 0 "[ . 1 . 2]" 1
756 1 143 GLY HA3 1 145 THR H 0.000 . 5.000 3.781 3.720 3.875 . 0 0 "[ . 1 . 2]" 1
757 1 145 THR H 1 145 THR HB 0.000 . 3.500 2.789 2.726 2.892 . 0 0 "[ . 1 . 2]" 1
758 1 139 GLU HA 1 145 THR H 0.000 . 5.000 3.635 3.367 3.894 . 0 0 "[ . 1 . 2]" 1
759 1 143 GLY HA2 1 145 THR H 0.000 . 5.000 5.038 4.994 5.085 0.085 19 0 "[ . 1 . 2]" 1
760 1 144 ASP HA 1 145 THR H 0.000 . 5.000 2.917 2.607 3.067 . 0 0 "[ . 1 . 2]" 1
761 1 145 THR H 1 147 PHE QE 0.000 . 5.000 5.007 4.876 5.047 0.047 12 0 "[ . 1 . 2]" 1
762 1 142 GLY H 1 145 THR H 0.000 . 5.000 5.179 5.145 5.218 0.218 10 0 "[ . 1 . 2]" 1
763 1 145 THR H 1 146 ILE H 0.000 . 5.000 4.239 4.092 4.374 . 0 0 "[ . 1 . 2]" 1
764 1 111 ILE MD 1 146 ILE H 0.000 . 5.000 4.745 4.258 5.121 0.121 12 0 "[ . 1 . 2]" 1
765 1 146 ILE H 1 146 ILE MD 0.000 . 3.500 2.375 1.721 3.532 0.032 18 0 "[ . 1 . 2]" 1
766 1 145 THR HG1 1 146 ILE H 0.000 . 3.500 2.820 2.496 3.024 . 0 0 "[ . 1 . 2]" 1
767 1 146 ILE H 1 146 ILE QG 0.000 . 3.500 2.936 2.026 3.414 . 0 0 "[ . 1 . 2]" 1
768 1 146 ILE H 1 146 ILE HB 0.000 . 3.500 2.494 2.335 2.656 . 0 0 "[ . 1 . 2]" 1
769 1 145 THR HB 1 146 ILE H 0.000 . 5.000 4.228 4.100 4.315 . 0 0 "[ . 1 . 2]" 1
770 1 111 ILE HA 1 146 ILE H 0.000 . 5.000 2.520 2.198 2.791 . 0 0 "[ . 1 . 2]" 1
771 1 145 THR HA 1 146 ILE H 0.000 . 2.700 2.118 2.085 2.151 . 0 0 "[ . 1 . 2]" 1
772 1 146 ILE MG 1 147 PHE H 0.000 . 3.500 3.071 2.871 3.176 . 0 0 "[ . 1 . 2]" 1
773 1 146 ILE QG 1 147 PHE H 0.000 . 5.000 4.362 4.152 4.786 . 0 0 "[ . 1 . 2]" 1
774 1 146 ILE HB 1 147 PHE H 0.000 . 5.000 4.368 4.247 4.454 . 0 0 "[ . 1 . 2]" 1
775 1 147 PHE H 1 147 PHE HB3 0.000 . 3.500 3.527 3.509 3.560 0.060 15 0 "[ . 1 . 2]" 1
776 1 146 ILE HA 1 147 PHE H 0.000 . 3.500 2.174 2.141 2.222 . 0 0 "[ . 1 . 2]" 1
777 1 147 PHE H 1 147 PHE QD 0.000 . 5.000 2.706 2.531 2.853 . 0 0 "[ . 1 . 2]" 1
778 1 147 PHE H 1 148 CYS H 0.000 . 5.000 4.347 4.129 4.504 . 0 0 "[ . 1 . 2]" 1
779 1 146 ILE H 1 147 PHE H 0.000 . 5.000 4.356 4.259 4.462 . 0 0 "[ . 1 . 2]" 1
780 1 112 VAL QG 1 148 CYS H 0.000 . 5.000 3.325 3.195 3.534 . 0 0 "[ . 1 . 2]" 1
781 1 111 ILE MG 1 148 CYS H 0.000 . 5.000 3.699 3.417 4.272 . 0 0 "[ . 1 . 2]" 1
782 1 112 VAL HB 1 148 CYS H 0.000 . 5.000 2.653 2.438 3.018 . 0 0 "[ . 1 . 2]" 1
783 1 113 ALA MB 1 148 CYS H 0.000 . 5.000 4.696 4.421 4.836 . 0 0 "[ . 1 . 2]" 1
784 1 147 PHE HB2 1 148 CYS H 0.000 . 5.000 4.478 4.281 4.582 . 0 0 "[ . 1 . 2]" 1
785 1 148 CYS H 1 148 CYS QB 0.000 . 3.500 2.498 2.371 2.666 . 0 0 "[ . 1 . 2]" 1
786 1 147 PHE HB3 1 148 CYS H 0.000 . 5.000 3.621 3.209 3.934 . 0 0 "[ . 1 . 2]" 1
787 1 113 ALA HA 1 148 CYS H 0.000 . 3.500 3.399 3.135 3.536 0.036 4 0 "[ . 1 . 2]" 1
788 1 147 PHE HA 1 148 CYS H 0.000 . 3.500 2.132 2.104 2.191 . 0 0 "[ . 1 . 2]" 1
789 1 147 PHE QE 1 148 CYS H 0.000 . 7.000 5.878 5.488 6.206 . 0 0 "[ . 1 . 2]" 1
790 1 147 PHE QD 1 148 CYS H 0.000 . 5.000 4.177 3.672 4.548 . 0 0 "[ . 1 . 2]" 1
791 1 149 LYS H 1 150 LEU QD 0.000 . 5.000 4.273 3.663 4.552 . 0 0 "[ . 1 . 2]" 1
792 1 149 LYS H 1 149 LYS HG3 0.000 . 5.000 2.866 2.311 3.259 . 0 0 "[ . 1 . 2]" 1
793 1 149 LYS H 1 149 LYS HG2 0.000 . 3.500 1.926 1.611 2.297 . 0 0 "[ . 1 . 2]" 1
794 1 149 LYS H 1 149 LYS HD3 0.000 . 5.000 4.184 3.856 4.753 . 0 0 "[ . 1 . 2]" 1
795 1 149 LYS H 1 149 LYS HB3 0.000 . 3.500 2.964 2.797 3.260 . 0 0 "[ . 1 . 2]" 1
796 1 148 CYS QB 1 149 LYS H 0.000 . 5.000 3.562 3.160 3.861 . 0 0 "[ . 1 . 2]" 1
797 1 148 CYS HA 1 149 LYS H 0.000 . 3.500 2.188 2.119 2.249 . 0 0 "[ . 1 . 2]" 1
798 1 149 LYS H 1 160 HIS HD2 0.000 . 5.000 4.140 3.781 4.564 . 0 0 "[ . 1 . 2]" 1
799 1 150 LEU H 1 150 LEU QD 0.000 . 3.500 1.804 1.272 2.328 . 0 0 "[ . 1 . 2]" 1
800 1 114 ILE MG 1 150 LEU H 0.000 . 5.000 4.072 3.558 4.596 . 0 0 "[ . 1 . 2]" 1
801 1 150 LEU H 1 150 LEU HG 0.000 . 3.500 3.255 2.560 3.710 0.210 4 0 "[ . 1 . 2]" 1
802 1 150 LEU H 1 150 LEU HB3 0.000 . 3.500 3.020 2.809 3.433 . 0 0 "[ . 1 . 2]" 1
803 1 114 ILE HB 1 150 LEU H 0.000 . 3.500 2.935 2.719 3.404 . 0 0 "[ . 1 . 2]" 1
804 1 117 MET HG2 1 150 LEU H 0.000 . 3.500 3.473 2.992 4.073 0.573 11 1 "[ . 1+ . 2]" 1
805 1 149 LYS HA 1 150 LEU H 0.000 . 3.500 2.194 2.058 2.271 . 0 0 "[ . 1 . 2]" 1
806 1 115 ASN HA 1 150 LEU H 0.000 . 5.000 3.659 2.874 4.016 . 0 0 "[ . 1 . 2]" 1
807 1 150 LEU H 1 151 SER H 0.000 . 5.000 4.397 4.309 4.486 . 0 0 "[ . 1 . 2]" 1
808 1 150 LEU QD 1 151 SER H 0.000 . 3.500 2.668 2.224 3.312 . 0 0 "[ . 1 . 2]" 1
809 1 150 LEU HG 1 151 SER H 0.000 . 5.000 3.897 2.866 4.576 . 0 0 "[ . 1 . 2]" 1
810 1 150 LEU HB2 1 151 SER H 0.000 . 3.500 2.088 1.763 3.603 0.103 17 0 "[ . 1 . 2]" 1
811 1 150 LEU HB3 1 151 SER H 0.000 . 3.500 3.423 2.179 3.567 0.067 11 0 "[ . 1 . 2]" 1
812 1 151 SER H 1 151 SER HB3 0.000 . 3.500 3.425 2.806 3.890 0.390 6 0 "[ . 1 . 2]" 1
813 1 151 SER H 1 157 GLY HA2 0.000 . 5.000 4.168 2.468 5.003 0.003 9 0 "[ . 1 . 2]" 1
814 1 151 SER H 1 157 GLY HA3 0.000 . 5.000 2.666 1.391 3.670 . 0 0 "[ . 1 . 2]" 1
815 1 150 LEU HA 1 151 SER H 0.000 . 3.500 2.510 2.206 2.639 . 0 0 "[ . 1 . 2]" 1
816 1 151 SER H 1 152 ALA H 0.000 . 5.000 3.959 3.476 4.198 . 0 0 "[ . 1 . 2]" 1
817 1 150 LEU QD 1 152 ALA H 0.000 . 3.500 3.192 2.665 3.560 0.060 14 0 "[ . 1 . 2]" 1
818 1 152 ALA H 1 152 ALA MB 0.000 . 3.500 2.248 2.215 2.287 . 0 0 "[ . 1 . 2]" 1
819 1 151 SER HB3 1 152 ALA H 0.000 . 5.000 3.984 3.344 4.369 . 0 0 "[ . 1 . 2]" 1
820 1 151 SER HA 1 152 ALA H 0.000 . 2.700 2.161 2.136 2.211 . 0 0 "[ . 1 . 2]" 1
821 1 152 ALA H 1 153 LYS H 0.000 . 3.500 2.524 2.273 2.829 . 0 0 "[ . 1 . 2]" 1
822 1 153 LYS H 1 154 THR HG1 0.000 . 5.000 4.420 4.010 5.022 0.022 12 0 "[ . 1 . 2]" 1
823 1 152 ALA MB 1 153 LYS H 0.000 . 3.500 3.001 2.352 3.254 . 0 0 "[ . 1 . 2]" 1
824 1 153 LYS H 1 153 LYS QG 0.000 . 5.000 2.314 1.668 3.972 . 0 0 "[ . 1 . 2]" 1
825 1 153 LYS H 1 153 LYS HB2 0.000 . 3.500 3.118 2.515 3.588 0.088 15 0 "[ . 1 . 2]" 1
826 1 153 LYS H 1 153 LYS HB3 0.000 . 3.500 2.887 2.357 3.572 0.072 7 0 "[ . 1 . 2]" 1
827 1 151 SER HB2 1 153 LYS H 0.000 . 5.000 3.954 2.605 5.405 0.405 10 0 "[ . 1 . 2]" 1
828 1 152 ALA HA 1 153 LYS H 0.000 . 5.000 3.396 3.254 3.579 . 0 0 "[ . 1 . 2]" 1
829 1 153 LYS H 1 154 THR HA 0.000 . 5.000 5.082 5.011 5.129 0.129 16 0 "[ . 1 . 2]" 1
830 1 151 SER HA 1 153 LYS H 0.000 . 5.000 3.579 3.384 4.325 . 0 0 "[ . 1 . 2]" 1
831 1 153 LYS H 1 154 THR H 0.000 . 3.500 2.473 2.396 2.601 . 0 0 "[ . 1 . 2]" 1
832 1 154 THR H 1 154 THR HG1 0.000 . 3.500 2.600 2.171 3.165 . 0 0 "[ . 1 . 2]" 1
833 1 152 ALA MB 1 154 THR H 0.000 . 5.000 4.944 4.404 5.077 0.077 4 0 "[ . 1 . 2]" 1
834 1 153 LYS HB2 1 154 THR H 0.000 . 3.500 3.033 2.090 3.609 0.109 2 0 "[ . 1 . 2]" 1
835 1 153 LYS HB3 1 154 THR H 0.000 . 3.500 3.326 2.078 3.742 0.242 12 0 "[ . 1 . 2]" 1
836 1 151 SER HB2 1 154 THR H 0.000 . 5.000 3.466 2.405 4.676 . 0 0 "[ . 1 . 2]" 1
837 1 153 LYS HA 1 154 THR H 0.000 . 3.500 3.504 3.483 3.526 0.026 14 0 "[ . 1 . 2]" 1
838 1 153 LYS QG 1 155 LYS H 0.000 . 5.000 4.326 3.772 4.869 . 0 0 "[ . 1 . 2]" 1
839 1 153 LYS HB3 1 155 LYS H 0.000 . 5.000 5.076 4.006 5.418 0.418 3 0 "[ . 1 . 2]" 1
840 1 154 THR HA 1 155 LYS H 0.000 . 3.500 3.377 3.265 3.455 . 0 0 "[ . 1 . 2]" 1
841 1 155 LYS H 1 156 GLU H 0.000 . 3.500 2.745 2.533 3.330 . 0 0 "[ . 1 . 2]" 1
842 1 154 THR HG1 1 156 GLU H 0.000 . 5.000 3.251 2.809 3.723 . 0 0 "[ . 1 . 2]" 1
843 1 155 LYS HB2 1 156 GLU H 0.000 . 5.000 4.096 3.295 4.596 . 0 0 "[ . 1 . 2]" 1
844 1 156 GLU H 1 156 GLU QB 0.000 . 3.500 2.519 2.226 2.730 . 0 0 "[ . 1 . 2]" 1
845 1 156 GLU H 1 156 GLU HG3 0.000 . 5.000 2.799 1.697 4.458 . 0 0 "[ . 1 . 2]" 1
846 1 155 LYS HA 1 156 GLU H 0.000 . 5.000 3.180 2.719 3.533 . 0 0 "[ . 1 . 2]" 1
847 1 151 SER HB3 1 156 GLU H 0.000 . 5.000 4.473 3.048 5.402 0.402 5 0 "[ . 1 . 2]" 1
848 1 157 GLY H 1 157 GLY HA2 0.000 . 2.700 2.803 2.777 2.827 0.127 2 0 "[ . 1 . 2]" 1
849 1 156 GLU HA 1 157 GLY H 0.000 . 3.500 3.526 3.505 3.541 0.041 12 0 "[ . 1 . 2]" 1
850 1 157 GLY H 1 157 GLY HA3 0.000 . 2.700 2.275 2.270 2.285 . 0 0 "[ . 1 . 2]" 1
851 1 157 GLY H 1 158 LEU H 0.000 . 2.700 2.686 2.571 2.729 0.029 9 0 "[ . 1 . 2]" 1
852 1 158 LEU H 1 158 LEU MD1 0.000 . 5.000 3.943 3.626 4.324 . 0 0 "[ . 1 . 2]" 1
853 1 158 LEU H 1 158 LEU MD2 0.000 . 5.000 3.396 2.141 4.246 . 0 0 "[ . 1 . 2]" 1
854 1 158 LEU H 1 158 LEU HB2 0.000 . 3.500 2.303 2.146 2.453 . 0 0 "[ . 1 . 2]" 1
855 1 158 LEU H 1 158 LEU HB3 0.000 . 3.500 3.283 2.608 3.569 0.069 12 0 "[ . 1 . 2]" 1
856 1 155 LYS HA 1 158 LEU H 0.000 . 5.000 3.415 3.083 3.795 . 0 0 "[ . 1 . 2]" 1
857 1 157 GLY HA2 1 158 LEU H 0.000 . 5.000 3.411 3.331 3.523 . 0 0 "[ . 1 . 2]" 1
858 1 156 GLU HA 1 158 LEU H 0.000 . 5.000 4.146 3.907 4.386 . 0 0 "[ . 1 . 2]" 1
859 1 157 GLY HA3 1 158 LEU H 0.000 . 5.000 3.129 2.776 3.256 . 0 0 "[ . 1 . 2]" 1
860 1 150 LEU HA 1 158 LEU H 0.000 . 5.000 4.674 3.971 5.057 0.057 15 0 "[ . 1 . 2]" 1
861 1 158 LEU H 1 160 HIS H 0.000 . 5.000 3.902 3.472 4.415 . 0 0 "[ . 1 . 2]" 1
862 1 158 LEU H 1 159 ASP H 0.000 . 3.500 2.641 2.507 2.804 . 0 0 "[ . 1 . 2]" 1
863 1 158 LEU QD 1 159 ASP H 0.000 . 5.000 3.780 2.994 4.199 . 0 0 "[ . 1 . 2]" 1
864 1 158 LEU HB2 1 159 ASP H 0.000 . 3.500 2.920 2.414 3.684 0.184 15 0 "[ . 1 . 2]" 1
865 1 158 LEU HB3 1 159 ASP H 0.000 . 5.000 3.036 2.217 3.642 . 0 0 "[ . 1 . 2]" 1
866 1 159 ASP H 1 159 ASP QB 0.000 . 3.500 2.326 2.236 2.469 . 0 0 "[ . 1 . 2]" 1
867 1 159 ASP H 1 160 HIS QB 0.000 . 5.000 4.372 4.172 4.631 . 0 0 "[ . 1 . 2]" 1
868 1 158 LEU HA 1 159 ASP H 0.000 . 5.000 3.542 3.516 3.565 . 0 0 "[ . 1 . 2]" 1
869 1 157 GLY HA2 1 159 ASP H 0.000 . 5.000 4.343 4.029 4.926 . 0 0 "[ . 1 . 2]" 1
870 1 159 ASP H 1 161 LEU H 0.000 . 5.000 3.922 3.792 4.065 . 0 0 "[ . 1 . 2]" 1
871 1 159 ASP H 1 160 HIS H 0.000 . 3.500 2.610 2.423 2.854 . 0 0 "[ . 1 . 2]" 1
872 1 157 GLY HA2 1 160 HIS H 0.000 . 5.000 3.154 2.764 4.362 . 0 0 "[ . 1 . 2]" 1
873 1 160 HIS H 1 161 LEU H 0.000 . 3.500 2.619 2.512 2.703 . 0 0 "[ . 1 . 2]" 1
874 1 158 LEU QD 1 161 LEU H 0.000 . 5.000 4.364 3.935 4.979 . 0 0 "[ . 1 . 2]" 1
875 1 161 LEU H 1 161 LEU QD 0.000 . 5.000 3.711 3.579 3.750 . 0 0 "[ . 1 . 2]" 1
876 1 161 LEU H 1 161 LEU HB2 0.000 . 3.500 2.523 2.164 2.628 . 0 0 "[ . 1 . 2]" 1
877 1 161 LEU H 1 162 LEU HG 0.000 . 5.000 4.321 3.885 4.659 . 0 0 "[ . 1 . 2]" 1
878 1 161 LEU H 1 161 LEU HB3 0.000 . 3.500 2.498 2.401 2.920 . 0 0 "[ . 1 . 2]" 1
879 1 159 ASP HB3 1 161 LEU H 0.000 . 5.000 5.111 4.743 5.503 0.503 19 1 "[ . 1 . +2]" 1
880 1 160 HIS HB3 1 161 LEU H 0.000 . 5.000 2.890 2.662 3.108 . 0 0 "[ . 1 . 2]" 1
881 1 158 LEU HA 1 161 LEU H 0.000 . 5.000 3.387 3.095 3.697 . 0 0 "[ . 1 . 2]" 1
882 1 160 HIS HA 1 161 LEU H 0.000 . 5.000 3.484 3.440 3.524 . 0 0 "[ . 1 . 2]" 1
883 1 161 LEU H 1 162 LEU H 0.000 . 3.500 2.763 2.595 2.917 . 0 0 "[ . 1 . 2]" 1
884 1 161 LEU H 1 163 GLU H 0.000 . 5.000 3.976 3.698 4.153 . 0 0 "[ . 1 . 2]" 1
885 1 158 LEU QD 1 162 LEU H 0.000 . 5.000 4.520 3.477 5.053 0.053 2 0 "[ . 1 . 2]" 1
886 1 161 LEU QD 1 162 LEU H 0.000 . 5.000 3.606 3.234 3.755 . 0 0 "[ . 1 . 2]" 1
887 1 162 LEU H 1 162 LEU QD 0.000 . 3.500 2.921 2.776 3.067 . 0 0 "[ . 1 . 2]" 1
888 1 162 LEU H 1 162 LEU HB2 0.000 . 3.500 2.650 2.422 3.584 0.084 1 0 "[ . 1 . 2]" 1
889 1 162 LEU H 1 162 LEU HG 0.000 . 3.500 2.074 1.898 2.266 . 0 0 "[ . 1 . 2]" 1
890 1 162 LEU H 1 162 LEU HB3 0.000 . 3.500 3.470 2.631 3.568 0.068 18 0 "[ . 1 . 2]" 1
891 1 161 LEU HB3 1 162 LEU H 0.000 . 3.500 2.320 2.184 2.460 . 0 0 "[ . 1 . 2]" 1
892 1 161 LEU HA 1 162 LEU H 0.000 . 5.000 3.562 3.530 3.584 . 0 0 "[ . 1 . 2]" 1
893 1 159 ASP HA 1 162 LEU H 0.000 . 5.000 3.678 3.318 3.985 . 0 0 "[ . 1 . 2]" 1
894 1 160 HIS HA 1 162 LEU H 0.000 . 5.000 4.700 4.433 4.942 . 0 0 "[ . 1 . 2]" 1
895 1 162 LEU H 1 163 GLU H 0.000 . 3.500 2.734 2.561 2.843 . 0 0 "[ . 1 . 2]" 1
896 1 160 HIS H 1 162 LEU H 0.000 . 5.000 4.563 4.353 4.799 . 0 0 "[ . 1 . 2]" 1
897 1 161 LEU QD 1 163 GLU H 0.000 . 5.000 5.022 4.594 5.065 0.065 13 0 "[ . 1 . 2]" 1
898 1 162 LEU QD 1 163 GLU H 0.000 . 5.000 3.894 2.321 4.127 . 0 0 "[ . 1 . 2]" 1
899 1 162 LEU HB2 1 163 GLU H 0.000 . 5.000 2.742 2.496 3.859 . 0 0 "[ . 1 . 2]" 1
900 1 162 LEU QB 1 163 GLU H 0.000 . 3.500 2.664 2.452 3.534 0.034 11 0 "[ . 1 . 2]" 1
901 1 163 GLU H 1 163 GLU QG 0.000 . 3.500 2.335 1.935 3.765 0.265 7 0 "[ . 1 . 2]" 1
902 1 162 LEU HA 1 163 GLU H 0.000 . 5.000 3.531 3.489 3.570 . 0 0 "[ . 1 . 2]" 1
903 1 159 ASP HA 1 163 GLU H 0.000 . 5.000 4.468 4.067 4.775 . 0 0 "[ . 1 . 2]" 1
904 1 160 HIS HA 1 163 GLU H 0.000 . 5.000 3.488 3.236 3.840 . 0 0 "[ . 1 . 2]" 1
905 1 163 GLU H 1 164 MET H 0.000 . 3.500 2.671 2.511 2.788 . 0 0 "[ . 1 . 2]" 1
906 1 165 ILE H 1 165 ILE MG 0.000 . 3.500 3.676 3.632 3.698 0.198 11 0 "[ . 1 . 2]" 1
907 1 165 ILE H 1 165 ILE MD 0.000 . 3.500 3.508 3.426 3.547 0.047 1 0 "[ . 1 . 2]" 1
908 1 165 ILE H 1 165 ILE HB 0.000 . 3.500 2.340 2.216 2.463 . 0 0 "[ . 1 . 2]" 1
909 1 162 LEU HA 1 165 ILE H 0.000 . 5.000 3.409 3.036 3.613 . 0 0 "[ . 1 . 2]" 1
910 1 165 ILE H 1 166 LEU H 0.000 . 3.500 2.865 2.764 2.998 . 0 0 "[ . 1 . 2]" 1
911 1 165 ILE MG 1 166 LEU H 0.000 . 5.000 2.925 2.681 3.117 . 0 0 "[ . 1 . 2]" 1
912 1 166 LEU H 1 166 LEU QD 0.000 . 3.500 2.755 1.486 3.144 . 0 0 "[ . 1 . 2]" 1
913 1 166 LEU H 1 166 LEU HB3 0.000 . 3.500 3.259 2.783 3.562 0.062 19 0 "[ . 1 . 2]" 1
914 1 166 LEU H 1 166 LEU HG 0.000 . 3.500 2.404 1.729 3.736 0.236 12 0 "[ . 1 . 2]" 1
915 1 166 LEU H 1 166 LEU HB2 0.000 . 3.500 2.898 2.236 3.574 0.074 6 0 "[ . 1 . 2]" 1
916 1 165 ILE HB 1 166 LEU H 0.000 . 3.500 2.411 2.227 2.627 . 0 0 "[ . 1 . 2]" 1
917 1 165 ILE HA 1 166 LEU H 0.000 . 5.000 3.595 3.569 3.639 . 0 0 "[ . 1 . 2]" 1
918 1 163 GLU HA 1 166 LEU H 0.000 . 5.000 3.705 3.368 4.113 . 0 0 "[ . 1 . 2]" 1
919 1 166 LEU H 1 167 LEU H 0.000 . 3.500 2.622 2.408 2.802 . 0 0 "[ . 1 . 2]" 1
920 1 164 MET H 1 166 LEU H 0.000 . 5.000 4.314 4.168 4.552 . 0 0 "[ . 1 . 2]" 1
921 1 165 ILE MG 1 167 LEU H 0.000 . 5.000 4.780 4.609 4.914 . 0 0 "[ . 1 . 2]" 1
922 1 166 LEU QD 1 167 LEU H 0.000 . 5.000 3.102 1.787 4.090 . 0 0 "[ . 1 . 2]" 1
923 1 167 LEU H 1 167 LEU QD 0.000 . 5.000 3.618 2.505 3.742 . 0 0 "[ . 1 . 2]" 1
924 1 167 LEU H 1 168 VAL MG2 0.000 . 5.000 4.498 4.148 5.035 0.035 18 0 "[ . 1 . 2]" 1
925 1 166 LEU HB3 1 167 LEU H 0.000 . 5.000 3.766 3.299 4.329 . 0 0 "[ . 1 . 2]" 1
926 1 167 LEU H 1 167 LEU HG 0.000 . 5.000 4.490 4.116 4.568 . 0 0 "[ . 1 . 2]" 1
927 1 167 LEU H 1 167 LEU HB2 0.000 . 3.500 2.421 2.129 2.504 . 0 0 "[ . 1 . 2]" 1
928 1 166 LEU HB2 1 167 LEU H 0.000 . 3.500 3.027 2.368 3.629 0.129 11 0 "[ . 1 . 2]" 1
929 1 167 LEU H 1 167 LEU HB3 0.000 . 3.500 2.637 2.521 3.437 . 0 0 "[ . 1 . 2]" 1
930 1 165 ILE HB 1 167 LEU H 0.000 . 5.000 4.794 4.669 5.015 0.015 5 0 "[ . 1 . 2]" 1
931 1 163 GLU HA 1 167 LEU H 0.000 . 5.000 4.051 3.856 4.369 . 0 0 "[ . 1 . 2]" 1
932 1 166 LEU HA 1 167 LEU H 0.000 . 5.000 3.517 3.472 3.550 . 0 0 "[ . 1 . 2]" 1
933 1 164 MET HA 1 167 LEU H 0.000 . 5.000 3.413 3.227 3.526 . 0 0 "[ . 1 . 2]" 1
934 1 167 LEU H 1 168 VAL H 0.000 . 3.500 2.749 2.627 2.912 . 0 0 "[ . 1 . 2]" 1
935 1 165 ILE MG 1 168 VAL H 0.000 . 5.000 4.773 4.416 5.010 0.010 7 0 "[ . 1 . 2]" 1
936 1 168 VAL H 1 168 VAL MG1 0.000 . 3.500 3.669 3.540 3.715 0.215 17 0 "[ . 1 . 2]" 1
937 1 168 VAL H 1 168 VAL MG2 0.000 . 3.500 2.522 2.263 3.016 . 0 0 "[ . 1 . 2]" 1
938 1 167 LEU HG 1 168 VAL H 0.000 . 5.000 4.202 3.608 5.039 0.039 7 0 "[ . 1 . 2]" 1
939 1 167 LEU HB2 1 168 VAL H 0.000 . 5.000 3.840 2.850 4.085 . 0 0 "[ . 1 . 2]" 1
940 1 166 LEU HB2 1 168 VAL H 0.000 . 5.000 5.081 5.029 5.142 0.142 6 0 "[ . 1 . 2]" 1
941 1 167 LEU HB3 1 168 VAL H 0.000 . 3.500 2.714 2.418 3.077 . 0 0 "[ . 1 . 2]" 1
942 1 168 VAL H 1 168 VAL HB 0.000 . 3.500 2.312 2.194 2.399 . 0 0 "[ . 1 . 2]" 1
943 1 165 ILE HA 1 168 VAL H 0.000 . 5.000 3.847 3.500 4.216 . 0 0 "[ . 1 . 2]" 1
944 1 166 LEU HA 1 168 VAL H 0.000 . 5.000 4.082 3.677 4.568 . 0 0 "[ . 1 . 2]" 1
945 1 167 LEU HA 1 168 VAL H 0.000 . 5.000 3.510 3.447 3.553 . 0 0 "[ . 1 . 2]" 1
946 1 164 MET HA 1 168 VAL H 0.000 . 5.000 4.213 3.890 4.523 . 0 0 "[ . 1 . 2]" 1
947 1 168 VAL H 1 169 SER H 0.000 . 3.500 2.461 2.304 2.629 . 0 0 "[ . 1 . 2]" 1
948 1 165 ILE MG 1 169 SER H 0.000 . 5.000 4.348 3.863 4.917 . 0 0 "[ . 1 . 2]" 1
949 1 166 LEU QD 1 169 SER H 0.000 . 5.000 4.686 4.014 4.889 . 0 0 "[ . 1 . 2]" 1
950 1 168 VAL MG1 1 169 SER H 0.000 . 5.000 3.223 2.892 3.553 . 0 0 "[ . 1 . 2]" 1
951 1 168 VAL MG2 1 169 SER H 0.000 . 5.000 4.032 3.899 4.218 . 0 0 "[ . 1 . 2]" 1
952 1 168 VAL HB 1 169 SER H 0.000 . 3.500 2.819 2.555 3.090 . 0 0 "[ . 1 . 2]" 1
953 1 165 ILE HA 1 169 SER H 0.000 . 5.000 4.563 3.892 5.056 0.056 17 0 "[ . 1 . 2]" 1
954 1 168 VAL HA 1 169 SER H 0.000 . 5.000 3.524 3.471 3.565 . 0 0 "[ . 1 . 2]" 1
955 1 166 LEU HA 1 169 SER H 0.000 . 3.500 3.170 2.905 3.509 0.009 7 0 "[ . 1 . 2]" 1
956 1 169 SER H 1 170 GLU H 0.000 . 5.000 2.669 2.549 2.814 . 0 0 "[ . 1 . 2]" 1
957 1 167 LEU H 1 169 SER H 0.000 . 5.000 4.163 3.888 4.452 . 0 0 "[ . 1 . 2]" 1
958 1 168 VAL MG1 1 172 GLU H 0.000 . 5.000 3.696 3.240 4.052 . 0 0 "[ . 1 . 2]" 1
959 1 168 VAL MG2 1 172 GLU H 0.000 . 5.000 5.073 4.975 5.143 0.143 11 0 "[ . 1 . 2]" 1
960 1 172 GLU H 1 172 GLU HB2 0.000 . 3.500 2.501 2.049 3.581 0.081 14 0 "[ . 1 . 2]" 1
961 1 171 MET HG3 1 172 GLU H 0.000 . 5.000 4.501 2.757 5.443 0.443 20 0 "[ . 1 . 2]" 1
962 1 172 GLU H 1 172 GLU HG2 0.000 . 3.500 2.859 2.096 3.589 0.089 3 0 "[ . 1 . 2]" 1
963 1 171 MET HB3 1 172 GLU H 0.000 . 5.000 3.090 2.131 4.157 . 0 0 "[ . 1 . 2]" 1
964 1 168 VAL HA 1 172 GLU H 0.000 . 5.000 3.693 3.470 4.109 . 0 0 "[ . 1 . 2]" 1
965 1 171 MET HA 1 172 GLU H 0.000 . 3.500 3.456 3.198 3.558 0.058 10 0 "[ . 1 . 2]" 1
966 1 172 GLU H 1 174 LEU H 0.000 . 5.000 4.195 3.878 4.458 . 0 0 "[ . 1 . 2]" 1
967 1 172 GLU H 1 173 GLU H 0.000 . 3.500 2.910 2.625 3.299 . 0 0 "[ . 1 . 2]" 1
968 1 172 GLU HB2 1 173 GLU H 0.000 . 3.500 2.890 2.084 3.551 0.051 14 0 "[ . 1 . 2]" 1
969 1 173 GLU H 1 173 GLU HG2 0.000 . 5.000 3.535 1.864 4.618 . 0 0 "[ . 1 . 2]" 1
970 1 172 GLU HA 1 173 GLU H 0.000 . 5.000 3.510 3.433 3.598 . 0 0 "[ . 1 . 2]" 1
971 1 173 GLU H 1 174 LEU H 0.000 . 5.000 2.533 2.216 2.788 . 0 0 "[ . 1 . 2]" 1
972 1 174 LEU H 1 174 LEU QD 0.000 . 5.000 3.276 2.244 3.869 . 0 0 "[ . 1 . 2]" 1
973 1 174 LEU H 1 174 LEU HB3 0.000 . 3.500 3.121 2.469 3.715 0.215 7 0 "[ . 1 . 2]" 1
974 1 172 GLU HB2 1 174 LEU H 0.000 . 5.000 4.937 4.495 5.267 0.267 5 0 "[ . 1 . 2]" 1
975 1 173 GLU HA 1 174 LEU H 0.000 . 5.000 3.418 3.213 3.523 . 0 0 "[ . 1 . 2]" 1
976 1 175 LYS H 1 175 LYS HG2 0.000 . 5.000 4.562 2.506 5.237 0.237 9 0 "[ . 1 . 2]" 1
977 1 174 LEU HB3 1 175 LYS H 0.000 . 3.500 2.808 1.764 4.067 0.567 6 1 "[ .+ 1 . 2]" 1
978 1 175 LYS H 1 175 LYS HB3 0.000 . 3.500 3.234 2.344 4.041 0.541 14 1 "[ . 1 +. 2]" 1
979 1 174 LEU HA 1 175 LYS H 0.000 . 3.500 3.504 3.259 3.555 0.055 10 0 "[ . 1 . 2]" 1
980 1 175 LYS HG3 1 176 ALA H 0.000 . 3.500 3.437 2.623 4.481 0.981 3 2 "[ + . 1 .- 2]" 1
981 1 176 ALA H 1 176 ALA MB 0.000 . 3.500 2.596 2.292 2.971 . 0 0 "[ . 1 . 2]" 1
982 1 176 ALA MB 1 177 ASN H 0.000 . 5.000 2.916 1.736 3.717 . 0 0 "[ . 1 . 2]" 1
983 1 11 VAL HA 1 57 ILE MG 0.000 . 5.000 4.590 4.284 4.877 . 0 0 "[ . 1 . 2]" 1
984 1 11 VAL QG 1 57 ILE HA 0.000 . 5.000 3.318 2.436 4.365 . 0 0 "[ . 1 . 2]" 1
985 1 11 VAL HA 1 81 ILE HB 0.000 . 3.500 2.184 1.304 3.513 0.013 13 0 "[ . 1 . 2]" 1
986 1 11 VAL QG 1 81 ILE HB 0.000 . 3.500 1.903 1.122 3.016 . 0 0 "[ . 1 . 2]" 1
987 1 11 VAL QG 1 81 ILE MD 0.000 . 3.500 3.398 3.159 3.526 0.026 4 0 "[ . 1 . 2]" 1
988 1 11 VAL QG 1 81 ILE MG 0.000 . 3.500 1.846 1.397 2.544 . 0 0 "[ . 1 . 2]" 1
989 1 13 ILE MD 1 28 ILE MD 0.000 . 3.500 3.313 2.706 3.567 0.067 12 0 "[ . 1 . 2]" 1
990 1 14 MET HA 1 14 MET QG 0.000 . 3.500 2.481 2.281 2.897 . 0 0 "[ . 1 . 2]" 1
991 1 14 MET HB3 1 14 MET QG 0.000 . 2.700 2.349 2.157 2.415 . 0 0 "[ . 1 . 2]" 1
992 1 14 MET HB2 1 14 MET QG 0.000 . 2.700 2.280 2.155 2.359 . 0 0 "[ . 1 . 2]" 1
993 1 15 GLY QA 1 84 LEU QD 0.000 . 3.500 2.198 1.800 2.593 . 0 0 "[ . 1 . 2]" 1
994 1 14 MET HB2 1 15 GLY QA 0.000 . 5.000 4.243 4.078 4.645 . 0 0 "[ . 1 . 2]" 1
995 1 15 GLY QA 1 85 VAL HB 0.000 . 5.000 3.156 2.240 3.688 . 0 0 "[ . 1 . 2]" 1
996 1 15 GLY QA 1 96 THR HA 0.000 . 5.000 2.508 1.940 2.953 . 0 0 "[ . 1 . 2]" 1
997 1 15 GLY QA 1 96 THR HB 0.000 . 5.000 4.773 4.337 4.933 . 0 0 "[ . 1 . 2]" 1
998 1 16 HIS QB 1 16 HIS HD2 0.000 . 3.500 2.625 2.596 2.681 . 0 0 "[ . 1 . 2]" 1
999 1 16 HIS HE1 1 17 VAL QG 0.000 . 3.500 3.196 2.613 3.527 0.027 18 0 "[ . 1 . 2]" 1
1000 1 16 HIS HD2 1 18 ASP QB 0.000 . 5.000 2.232 1.823 3.153 . 0 0 "[ . 1 . 2]" 1
1001 1 19 HIS HB3 1 86 VAL HA 0.000 . 3.500 3.020 2.527 3.512 0.012 15 0 "[ . 1 . 2]" 1
1002 1 19 HIS HB2 1 86 VAL HA 0.000 . 5.000 3.815 3.323 4.304 . 0 0 "[ . 1 . 2]" 1
1003 1 19 HIS HA 1 87 ALA MB 0.000 . 3.500 2.539 1.905 3.501 0.001 12 0 "[ . 1 . 2]" 1
1004 1 19 HIS HB3 1 87 ALA MB 0.000 . 5.000 2.855 2.275 3.716 . 0 0 "[ . 1 . 2]" 1
1005 1 19 HIS HB2 1 87 ALA MB 0.000 . 5.000 4.164 3.685 4.961 . 0 0 "[ . 1 . 2]" 1
1006 1 19 HIS HD2 1 87 ALA MB 0.000 . 3.500 2.230 1.983 2.761 . 0 0 "[ . 1 . 2]" 1
1007 1 16 HIS HB3 1 19 HIS HE1 0.000 . 3.500 3.028 2.504 3.387 . 0 0 "[ . 1 . 2]" 1
1008 1 20 GLY QA 1 24 LEU QD 0.000 . 5.000 3.364 2.377 4.399 . 0 0 "[ . 1 . 2]" 1
1009 1 20 GLY QA 1 23 THR MG 0.000 . 5.000 3.191 1.766 4.217 . 0 0 "[ . 1 . 2]" 1
1010 1 21 LYS HA 1 24 LEU QD 0.000 . 5.000 2.547 1.617 3.585 . 0 0 "[ . 1 . 2]" 1
1011 1 22 THR HA 1 25 LEU QB 0.000 . 3.500 2.944 2.343 3.307 . 0 0 "[ . 1 . 2]" 1
1012 1 23 THR HA 1 26 ASP HB3 0.000 . 3.500 2.516 2.106 3.520 0.020 5 0 "[ . 1 . 2]" 1
1013 1 23 THR HA 1 26 ASP HB2 0.000 . 3.500 3.276 2.197 3.573 0.073 10 0 "[ . 1 . 2]" 1
1014 1 25 LEU HA 1 48 TYR QD 0.000 . 5.000 4.943 4.461 5.132 0.132 20 0 "[ . 1 . 2]" 1
1015 1 25 LEU QD 1 48 TYR QD 0.000 . 3.500 2.591 2.160 3.153 . 0 0 "[ . 1 . 2]" 1
1016 1 25 LEU QD 1 48 TYR QE 0.000 . 3.500 2.187 1.601 3.404 . 0 0 "[ . 1 . 2]" 1
1017 1 26 ASP HA 1 26 ASP HB3 0.000 . 2.700 2.954 2.674 2.975 0.275 8 0 "[ . 1 . 2]" 1
1018 1 26 ASP HA 1 26 ASP HB2 0.000 . 2.700 2.442 2.309 2.921 0.221 5 0 "[ . 1 . 2]" 1
1019 1 23 THR MG 1 26 ASP QB 0.000 . 5.000 3.882 3.265 4.749 . 0 0 "[ . 1 . 2]" 1
1020 1 22 THR MG 1 26 ASP QB 0.000 . 5.000 4.224 3.148 5.091 0.091 1 0 "[ . 1 . 2]" 1
1021 1 27 ALA MB 1 28 ILE MD 0.000 . 5.000 4.882 4.389 5.089 0.089 11 0 "[ . 1 . 2]" 1
1022 1 24 LEU QD 1 27 ALA HA 0.000 . 5.000 4.203 3.424 4.701 . 0 0 "[ . 1 . 2]" 1
1023 1 24 LEU QD 1 27 ALA MB 0.000 . 3.500 2.224 1.581 2.616 . 0 0 "[ . 1 . 2]" 1
1024 1 27 ALA MB 1 155 LYS QE 0.000 . 3.500 2.475 1.489 3.057 . 0 0 "[ . 1 . 2]" 1
1025 1 27 ALA HA 1 155 LYS QE 0.000 . 3.500 3.417 2.937 3.664 0.164 3 0 "[ . 1 . 2]" 1
1026 1 27 ALA HA 1 30 HIS HB3 0.000 . 5.000 3.719 2.414 4.625 . 0 0 "[ . 1 . 2]" 1
1027 1 27 ALA HA 1 30 HIS HB2 0.000 . 5.000 2.605 2.032 3.189 . 0 0 "[ . 1 . 2]" 1
1028 1 24 LEU HA 1 28 ILE MG 0.000 . 5.000 4.960 4.569 5.270 0.270 19 0 "[ . 1 . 2]" 1
1029 1 24 LEU HA 1 28 ILE MD 0.000 . 5.000 4.490 3.092 5.056 0.056 8 0 "[ . 1 . 2]" 1
1030 1 28 ILE HA 1 31 SER QB 0.000 . 3.500 2.568 2.074 2.884 . 0 0 "[ . 1 . 2]" 1
1031 1 25 LEU HA 1 28 ILE HB 0.000 . 3.500 3.249 2.839 3.552 0.052 11 0 "[ . 1 . 2]" 1
1032 1 25 LEU HA 1 28 ILE MD 0.000 . 3.500 3.606 3.522 3.703 0.203 3 0 "[ . 1 . 2]" 1
1033 1 28 ILE MD 1 31 SER QB 0.000 . 5.000 4.952 4.702 5.074 0.074 9 0 "[ . 1 . 2]" 1
1034 1 28 ILE MG 1 48 TYR QE 0.000 . 3.500 2.143 1.542 3.271 . 0 0 "[ . 1 . 2]" 1
1035 1 28 ILE MG 1 48 TYR QD 0.000 . 3.500 3.221 2.511 3.551 0.051 4 0 "[ . 1 . 2]" 1
1036 1 28 ILE MD 1 59 PHE QD 0.000 . 3.500 3.523 3.309 3.670 0.170 4 0 "[ . 1 . 2]" 1
1037 1 28 ILE MD 1 59 PHE QE 0.000 . 3.500 2.786 2.255 3.202 . 0 0 "[ . 1 . 2]" 1
1038 1 28 ILE MD 1 59 PHE HZ 0.000 . 3.500 3.183 2.745 3.514 0.014 5 0 "[ . 1 . 2]" 1
1039 1 28 ILE MG 1 29 ARG HA 0.000 . 3.500 3.248 3.030 3.605 0.105 19 0 "[ . 1 . 2]" 1
1040 1 26 ASP HA 1 29 ARG QB 0.000 . 3.500 3.044 2.310 3.602 0.102 6 0 "[ . 1 . 2]" 1
1041 1 26 ASP HA 1 29 ARG QG 0.000 . 3.500 3.273 2.093 3.590 0.090 1 0 "[ . 1 . 2]" 1
1042 1 29 ARG HA 1 48 TYR QE 0.000 . 5.000 4.552 3.275 5.129 0.129 5 0 "[ . 1 . 2]" 1
1043 1 29 ARG QD 1 48 TYR QD 0.000 . 5.000 4.472 3.640 5.107 0.107 11 0 "[ . 1 . 2]" 1
1044 1 29 ARG QD 1 48 TYR QE 0.000 . 7.000 4.919 3.225 6.006 . 0 0 "[ . 1 . 2]" 1
1045 1 30 HIS HA 1 30 HIS HB3 0.000 . 2.700 2.672 2.444 2.969 0.269 14 0 "[ . 1 . 2]" 1
1046 1 30 HIS HA 1 30 HIS HB2 0.000 . 2.700 2.846 2.501 2.966 0.266 1 0 "[ . 1 . 2]" 1
1047 1 30 HIS HA 1 30 HIS HD2 0.000 . 3.500 2.786 1.913 3.555 0.055 7 0 "[ . 1 . 2]" 1
1048 1 30 HIS HB3 1 30 HIS HD2 0.000 . 3.500 3.408 2.670 3.840 0.340 8 0 "[ . 1 . 2]" 1
1049 1 30 HIS HB2 1 30 HIS HD2 0.000 . 3.500 3.468 2.642 3.840 0.340 18 0 "[ . 1 . 2]" 1
1050 1 28 ILE MD 1 31 SER H 0.000 . 5.000 4.400 4.053 4.629 . 0 0 "[ . 1 . 2]" 1
1051 1 31 SER QB 1 155 LYS QE 0.000 . 3.500 3.222 2.071 3.628 0.128 4 0 "[ . 1 . 2]" 1
1052 1 31 SER QB 1 158 LEU MD1 0.000 . 5.000 3.703 2.696 4.801 . 0 0 "[ . 1 . 2]" 1
1053 1 31 SER QB 1 162 LEU QD 0.000 . 5.000 3.789 2.597 4.903 . 0 0 "[ . 1 . 2]" 1
1054 1 31 SER QB 1 155 LYS QG 0.000 . 5.000 4.546 3.063 5.100 0.100 6 0 "[ . 1 . 2]" 1
1055 1 27 ALA MB 1 31 SER QB 0.000 . 5.000 4.785 3.874 5.135 0.135 14 0 "[ . 1 . 2]" 1
1056 1 31 SER QB 1 32 LYS QD 0.000 . 5.000 4.117 1.823 5.070 0.070 4 0 "[ . 1 . 2]" 1
1057 1 28 ILE MD 1 31 SER QB 0.000 . 5.000 3.894 2.933 4.446 . 0 0 "[ . 1 . 2]" 1
1058 1 30 HIS HA 1 33 VAL HA 0.000 . 5.000 4.588 4.207 5.037 0.037 14 0 "[ . 1 . 2]" 1
1059 1 34 THR HB 1 48 TYR QD 0.000 . 5.000 4.270 2.621 5.132 0.132 2 0 "[ . 1 . 2]" 1
1060 1 33 VAL QG 1 34 THR HB 0.000 . 5.000 4.090 2.474 5.103 0.103 18 0 "[ . 1 . 2]" 1
1061 1 39 GLY QA 1 48 TYR QE 0.000 . 5.000 4.877 3.480 5.346 0.346 9 0 "[ . 1 . 2]" 1
1062 1 39 GLY QA 1 48 TYR QD 0.000 . 5.000 4.244 3.058 5.098 0.098 2 0 "[ . 1 . 2]" 1
1063 1 41 ILE MD 1 42 THR HA 0.000 . 5.000 3.861 2.852 4.880 . 0 0 "[ . 1 . 2]" 1
1064 1 42 THR HB 1 44 HIS HD2 0.000 . 5.000 3.779 2.206 5.055 0.055 7 0 "[ . 1 . 2]" 1
1065 1 42 THR MG 1 44 HIS HD2 0.000 . 3.500 2.754 1.562 3.571 0.071 15 0 "[ . 1 . 2]" 1
1066 1 44 HIS HA 1 44 HIS HD2 0.000 . 5.000 4.290 3.954 4.658 . 0 0 "[ . 1 . 2]" 1
1067 1 44 HIS QB 1 44 HIS HD2 0.000 . 2.700 2.715 2.645 2.764 0.064 6 0 "[ . 1 . 2]" 1
1068 1 25 LEU QD 1 47 ALA HA 0.000 . 3.500 3.088 2.151 3.562 0.062 17 0 "[ . 1 . 2]" 1
1069 1 47 ALA MB 1 48 TYR QD 0.000 . 3.500 3.288 1.838 3.606 0.106 15 0 "[ . 1 . 2]" 1
1070 1 47 ALA MB 1 48 TYR QE 0.000 . 5.000 4.442 2.542 5.109 0.109 16 0 "[ . 1 . 2]" 1
1071 1 48 TYR HA 1 48 TYR QD 0.000 . 3.500 3.614 3.025 3.698 0.198 12 0 "[ . 1 . 2]" 1
1072 1 48 TYR HB3 1 48 TYR QD 0.000 . 2.700 2.559 2.366 2.708 0.008 14 0 "[ . 1 . 2]" 1
1073 1 48 TYR HB2 1 48 TYR QD 0.000 . 2.700 2.291 2.235 2.436 . 0 0 "[ . 1 . 2]" 1
1074 1 48 TYR HB3 1 48 TYR QE 0.000 . 5.000 4.449 4.393 4.481 . 0 0 "[ . 1 . 2]" 1
1075 1 48 TYR QB 1 49 GLN QG 0.000 . 5.000 4.626 4.084 4.947 . 0 0 "[ . 1 . 2]" 1
1076 1 49 GLN HA 1 49 GLN QG 0.000 . 2.700 2.432 2.327 2.584 . 0 0 "[ . 1 . 2]" 1
1077 1 49 GLN HA 1 58 THR HA 0.000 . 2.700 2.397 2.152 2.701 0.001 3 0 "[ . 1 . 2]" 1
1078 1 49 GLN QG 1 58 THR HA 0.000 . 3.500 2.288 1.812 3.160 . 0 0 "[ . 1 . 2]" 1
1079 1 11 VAL QG 1 50 VAL HB 0.000 . 5.000 3.835 2.887 4.992 . 0 0 "[ . 1 . 2]" 1
1080 1 50 VAL HB 1 57 ILE HB 0.000 . 5.000 3.415 1.542 4.995 . 0 0 "[ . 1 . 2]" 1
1081 1 34 THR MG 1 50 VAL HA 0.000 . 5.000 3.882 2.300 5.035 0.035 12 0 "[ . 1 . 2]" 1
1082 1 48 TYR QE 1 50 VAL QG 0.000 . 3.500 2.746 1.739 3.486 . 0 0 "[ . 1 . 2]" 1
1083 1 48 TYR QD 1 50 VAL HB 0.000 . 3.500 3.341 2.274 3.712 0.212 4 0 "[ . 1 . 2]" 1
1084 1 51 THR HA 1 54 ASP QB 0.000 . 5.000 4.981 4.195 5.171 0.171 1 0 "[ . 1 . 2]" 1
1085 1 51 THR MG 1 54 ASP HA 0.000 . 3.500 2.742 1.568 3.777 0.277 14 0 "[ . 1 . 2]" 1
1086 1 51 THR MG 1 54 ASP HB3 0.000 . 5.000 4.012 1.324 5.013 0.013 2 0 "[ . 1 . 2]" 1
1087 1 51 THR MG 1 54 ASP HB2 0.000 . 5.000 3.897 1.277 5.269 0.269 2 0 "[ . 1 . 2]" 1
1088 1 33 VAL HB 1 51 THR HB 0.000 . 3.500 3.150 1.426 3.774 0.274 11 0 "[ . 1 . 2]" 1
1089 1 33 VAL HA 1 51 THR HB 0.000 . 3.500 3.432 2.574 3.740 0.240 15 0 "[ . 1 . 2]" 1
1090 1 52 VAL QG 1 53 ASN HB3 0.000 . 3.500 3.513 3.287 3.627 0.127 14 0 "[ . 1 . 2]" 1
1091 1 52 VAL QG 1 53 ASN HB2 0.000 . 3.500 2.812 2.272 3.193 . 0 0 "[ . 1 . 2]" 1
1092 1 53 ASN HA 1 53 ASN HB3 0.000 . 2.700 2.948 2.823 2.975 0.275 5 0 "[ . 1 . 2]" 1
1093 1 53 ASN HA 1 53 ASN HB2 0.000 . 2.700 2.551 2.428 2.808 0.108 14 0 "[ . 1 . 2]" 1
1094 1 54 ASP HA 1 54 ASP HB3 0.000 . 2.700 2.890 2.432 2.972 0.272 5 0 "[ . 1 . 2]" 1
1095 1 54 ASP HA 1 54 ASP HB2 0.000 . 2.700 2.503 2.351 2.951 0.251 18 0 "[ . 1 . 2]" 1
1096 1 57 ILE MG 1 59 PHE QR 0.000 . 3.500 2.264 1.637 2.556 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ILE HB 1 59 PHE QR 0.000 . 3.500 2.894 1.785 3.537 0.037 1 0 "[ . 1 . 2]" 1
1098 1 57 ILE MD 1 162 LEU HA 0.000 . 3.500 3.486 3.047 3.602 0.102 13 0 "[ . 1 . 2]" 1
1099 1 58 THR HA 1 59 PHE QD 0.000 . 5.000 4.024 3.073 4.976 . 0 0 "[ . 1 . 2]" 1
1100 1 11 VAL QG 1 59 PHE QR 0.000 . 3.500 2.510 1.981 3.251 . 0 0 "[ . 1 . 2]" 1
1101 1 13 ILE MD 1 59 PHE QR 0.000 . 3.500 2.263 1.671 3.456 . 0 0 "[ . 1 . 2]" 1
1102 1 59 PHE QR 1 83 ILE MD 0.000 . 3.500 2.851 1.841 3.564 0.064 13 0 "[ . 1 . 2]" 1
1103 1 59 PHE QR 1 83 ILE MG 0.000 . 5.000 3.781 3.106 4.299 . 0 0 "[ . 1 . 2]" 1
1104 1 59 PHE QR 1 165 ILE MD 0.000 . 3.500 2.169 1.922 2.647 . 0 0 "[ . 1 . 2]" 1
1105 1 59 PHE QR 1 165 ILE MG 0.000 . 3.500 3.283 2.590 3.556 0.056 4 0 "[ . 1 . 2]" 1
1106 1 11 VAL QG 1 165 ILE MD 0.000 . 3.500 2.384 2.055 2.837 . 0 0 "[ . 1 . 2]" 1
1107 1 11 VAL QG 1 165 ILE MG 0.000 . 3.500 2.094 1.759 2.548 . 0 0 "[ . 1 . 2]" 1
1108 1 68 PHE QB 1 68 PHE QD 0.000 . 2.700 2.157 2.123 2.330 . 0 0 "[ . 1 . 2]" 1
1109 1 68 PHE QD 1 102 HIS HA 0.000 . 5.000 5.051 4.919 5.158 0.158 3 0 "[ . 1 . 2]" 1
1110 1 68 PHE QE 1 103 ALA HA 0.000 . 3.500 2.171 1.366 3.090 . 0 0 "[ . 1 . 2]" 1
1111 1 68 PHE QR 1 103 ALA MB 0.000 . 5.000 2.793 2.267 3.334 . 0 0 "[ . 1 . 2]" 1
1112 1 68 PHE QR 1 106 ALA MB 0.000 . 3.500 2.471 1.668 3.582 0.082 20 0 "[ . 1 . 2]" 1
1113 1 68 PHE QR 1 82 VAL MG2 0.000 . 3.500 2.501 1.910 3.524 0.024 8 0 "[ . 1 . 2]" 1
1114 1 68 PHE QR 1 82 VAL MG1 0.000 . 5.000 3.968 3.351 4.575 . 0 0 "[ . 1 . 2]" 1
1115 1 14 MET ME 1 99 ALA HA 0.000 . 3.500 3.435 3.001 3.566 0.066 16 0 "[ . 1 . 2]" 1
1116 1 14 MET ME 1 99 ALA MB 0.000 . 3.500 2.899 2.049 3.350 . 0 0 "[ . 1 . 2]" 1
1117 1 14 MET ME 1 82 VAL HA 0.000 . 5.000 4.432 3.447 5.046 0.046 4 0 "[ . 1 . 2]" 1
1118 1 14 MET ME 1 102 HIS HD2 0.000 . 3.500 3.402 3.017 3.592 0.092 13 0 "[ . 1 . 2]" 1
1119 1 14 MET ME 1 68 PHE QR 0.000 . 3.500 2.712 1.997 3.438 . 0 0 "[ . 1 . 2]" 1
1120 1 14 MET ME 1 68 PHE HA 0.000 . 3.500 3.226 1.673 3.609 0.109 4 0 "[ . 1 . 2]" 1
1121 1 14 MET ME 1 68 PHE QB 0.000 . 3.500 2.498 1.653 3.555 0.055 9 0 "[ . 1 . 2]" 1
1122 1 68 PHE QD 1 71 MET ME 0.000 . 3.500 3.158 2.328 3.580 0.080 16 0 "[ . 1 . 2]" 1
1123 1 81 ILE HA 1 81 ILE MG 0.000 . 3.500 2.461 2.393 2.594 . 0 0 "[ . 1 . 2]" 1
1124 1 81 ILE MG 1 165 ILE HA 0.000 . 5.000 3.768 2.932 4.965 . 0 0 "[ . 1 . 2]" 1
1125 1 81 ILE MD 1 165 ILE HA 0.000 . 5.000 4.230 3.575 5.088 0.088 4 0 "[ . 1 . 2]" 1
1126 1 12 THR HB 1 82 VAL HA 0.000 . 3.500 3.118 2.511 3.531 0.031 7 0 "[ . 1 . 2]" 1
1127 1 82 VAL MG1 1 84 LEU HA 0.000 . 3.500 3.554 3.501 3.651 0.151 2 0 "[ . 1 . 2]" 1
1128 1 14 MET QG 1 82 VAL MG1 0.000 . 3.500 2.845 1.838 3.565 0.065 17 0 "[ . 1 . 2]" 1
1129 1 13 ILE HA 1 83 ILE HB 0.000 . 3.500 2.283 1.475 3.548 0.048 8 0 "[ . 1 . 2]" 1
1130 1 84 LEU HB3 1 112 VAL HA 0.000 . 5.000 2.673 2.303 2.898 . 0 0 "[ . 1 . 2]" 1
1131 1 84 LEU HB2 1 112 VAL HA 0.000 . 5.000 4.355 3.999 4.553 . 0 0 "[ . 1 . 2]" 1
1132 1 84 LEU HB3 1 112 VAL QG 0.000 . 5.000 3.044 2.895 3.195 . 0 0 "[ . 1 . 2]" 1
1133 1 84 LEU HB2 1 112 VAL QG 0.000 . 5.000 4.305 4.084 4.464 . 0 0 "[ . 1 . 2]" 1
1134 1 84 LEU QD 1 112 VAL QG 0.000 . 3.500 2.220 1.952 2.599 . 0 0 "[ . 1 . 2]" 1
1135 1 86 VAL HA 1 96 THR MG 0.000 . 5.000 3.579 2.858 4.175 . 0 0 "[ . 1 . 2]" 1
1136 1 87 ALA HA 1 115 ASN QB 0.000 . 5.000 2.948 2.529 3.265 . 0 0 "[ . 1 . 2]" 1
1137 1 87 ALA HA 1 88 ALA MB 0.000 . 5.000 3.957 3.690 4.064 . 0 0 "[ . 1 . 2]" 1
1138 1 87 ALA MB 1 90 ASP HB2 0.000 . 3.500 2.916 1.841 3.564 0.064 5 0 "[ . 1 . 2]" 1
1139 1 87 ALA MB 1 90 ASP HB3 0.000 . 3.500 2.855 2.132 3.509 0.009 13 0 "[ . 1 . 2]" 1
1140 1 88 ALA HA 1 120 PRO HA 0.000 . 5.000 5.004 4.199 5.177 0.177 9 0 "[ . 1 . 2]" 1
1141 1 88 ALA MB 1 120 PRO HA 0.000 . 5.000 3.664 1.891 5.005 0.005 3 0 "[ . 1 . 2]" 1
1142 1 88 ALA HA 1 114 ILE MG 0.000 . 7.000 2.644 1.969 3.841 . 0 0 "[ . 1 . 2]" 1
1143 1 88 ALA HA 1 127 VAL MG1 0.000 . 7.000 4.947 3.640 6.002 . 0 0 "[ . 1 . 2]" 1
1144 1 88 ALA MB 1 122 ALA HA 0.000 . 5.000 4.206 2.990 5.092 0.092 20 0 "[ . 1 . 2]" 1
1145 1 89 ASP HA 1 89 ASP HB3 0.000 . 2.700 2.457 2.297 2.535 . 0 0 "[ . 1 . 2]" 1
1146 1 89 ASP HA 1 89 ASP HB2 0.000 . 2.700 2.450 2.382 2.622 . 0 0 "[ . 1 . 2]" 1
1147 1 89 ASP HA 1 122 ALA HA 0.000 . 5.000 4.652 3.379 5.098 0.098 9 0 "[ . 1 . 2]" 1
1148 1 89 ASP HA 1 122 ALA MB 0.000 . 5.000 2.718 1.919 5.000 . 0 0 "[ . 1 . 2]" 1
1149 1 89 ASP HB3 1 122 ALA HA 0.000 . 7.000 4.453 3.002 6.391 . 0 0 "[ . 1 . 2]" 1
1150 1 89 ASP HB2 1 122 ALA HA 0.000 . 7.000 5.522 4.605 6.709 . 0 0 "[ . 1 . 2]" 1
1151 1 87 ALA MB 1 90 ASP H 0.000 . 3.500 2.889 2.523 3.262 . 0 0 "[ . 1 . 2]" 1
1152 1 88 ALA HA 1 90 ASP H 0.000 . 5.000 4.018 3.308 4.462 . 0 0 "[ . 1 . 2]" 1
1153 1 87 ALA MB 1 91 GLY H 0.000 . 5.000 3.694 2.999 4.448 . 0 0 "[ . 1 . 2]" 1
1154 1 91 GLY HA3 1 127 VAL MG1 0.000 . 5.000 2.942 2.631 3.638 . 0 0 "[ . 1 . 2]" 1
1155 1 91 GLY HA2 1 127 VAL MG1 0.000 . 5.000 1.745 1.522 2.081 . 0 0 "[ . 1 . 2]" 1
1156 1 91 GLY HA3 1 92 VAL HB 0.000 . 5.000 4.397 4.229 4.906 . 0 0 "[ . 1 . 2]" 1
1157 1 91 GLY HA2 1 92 VAL HB 0.000 . 5.000 5.018 4.762 5.079 0.079 2 0 "[ . 1 . 2]" 1
1158 1 88 ALA HA 1 91 GLY H 0.000 . 5.000 4.571 3.992 4.918 . 0 0 "[ . 1 . 2]" 1
1159 1 91 GLY HA3 1 127 VAL HA 0.000 . 3.500 3.519 3.280 3.587 0.087 3 0 "[ . 1 . 2]" 1
1160 1 91 GLY HA2 1 127 VAL HA 0.000 . 3.500 3.362 2.614 3.548 0.048 7 0 "[ . 1 . 2]" 1
1161 1 19 HIS HE1 1 92 VAL HA 0.000 . 5.000 3.102 2.169 4.112 . 0 0 "[ . 1 . 2]" 1
1162 1 92 VAL HA 1 96 THR HA 0.000 . 5.000 5.117 5.043 5.169 0.169 19 0 "[ . 1 . 2]" 1
1163 1 92 VAL HA 1 96 THR HB 0.000 . 3.500 2.650 2.489 2.815 . 0 0 "[ . 1 . 2]" 1
1164 1 92 VAL HA 1 96 THR MG 0.000 . 3.500 2.148 2.049 2.382 . 0 0 "[ . 1 . 2]" 1
1165 1 92 VAL MG1 1 96 THR HB 0.000 . 3.500 1.796 1.325 4.042 0.542 19 2 "[ . 1 . - +2]" 1
1166 1 92 VAL MG2 1 134 TYR QD 0.000 . 5.000 3.354 2.938 4.001 . 0 0 "[ . 1 . 2]" 1
1167 1 92 VAL MG2 1 134 TYR QE 0.000 . 5.000 2.356 1.605 3.446 . 0 0 "[ . 1 . 2]" 1
1168 1 92 VAL MG1 1 134 TYR QD 0.000 . 3.500 3.437 3.050 3.599 0.099 12 0 "[ . 1 . 2]" 1
1169 1 92 VAL MG1 1 134 TYR QE 0.000 . 3.500 1.916 1.247 2.496 . 0 0 "[ . 1 . 2]" 1
1170 1 93 MET HA 1 93 MET QG 0.000 . 3.500 2.567 2.150 3.454 . 0 0 "[ . 1 . 2]" 1
1171 1 93 MET HA 1 94 PRO HD3 0.000 . 3.500 2.472 2.281 2.869 . 0 0 "[ . 1 . 2]" 1
1172 1 93 MET HA 1 94 PRO HD2 0.000 . 3.500 2.794 2.469 3.071 . 0 0 "[ . 1 . 2]" 1
1173 1 93 MET HA 1 94 PRO HG3 0.000 . 5.000 4.609 4.452 4.947 . 0 0 "[ . 1 . 2]" 1
1174 1 93 MET HA 1 94 PRO HG2 0.000 . 5.000 4.789 4.607 4.922 . 0 0 "[ . 1 . 2]" 1
1175 1 16 HIS HD2 1 93 MET ME 0.000 . 3.500 3.499 3.171 3.598 0.098 5 0 "[ . 1 . 2]" 1
1176 1 16 HIS HE1 1 93 MET ME 0.000 . 3.500 3.325 2.852 3.532 0.032 18 0 "[ . 1 . 2]" 1
1177 1 93 MET ME 1 94 PRO HD3 0.000 . 3.500 3.260 2.926 3.526 0.026 15 0 "[ . 1 . 2]" 1
1178 1 93 MET ME 1 94 PRO HD2 0.000 . 3.500 1.948 1.668 2.303 . 0 0 "[ . 1 . 2]" 1
1179 1 93 MET HA 1 93 MET ME 0.000 . 3.500 3.558 3.409 3.654 0.154 2 0 "[ . 1 . 2]" 1
1180 1 94 PRO HA 1 97 VAL QG 0.000 . 3.500 3.104 2.450 3.448 . 0 0 "[ . 1 . 2]" 1
1181 1 92 VAL QG 1 96 THR HB 0.000 . 5.000 1.542 1.322 1.879 . 0 0 "[ . 1 . 2]" 1
1182 1 92 VAL QG 1 96 THR H 0.000 . 3.500 3.378 3.154 3.529 0.029 2 0 "[ . 1 . 2]" 1
1183 1 97 VAL HA 1 97 VAL QG 0.000 . 2.700 2.199 2.082 2.567 . 0 0 "[ . 1 . 2]" 1
1184 1 97 VAL HA 1 100 ILE MD 0.000 . 3.500 3.551 3.006 3.647 0.147 13 0 "[ . 1 . 2]" 1
1185 1 97 VAL HA 1 100 ILE HB 0.000 . 3.500 2.642 1.803 3.109 . 0 0 "[ . 1 . 2]" 1
1186 1 97 VAL QG 1 134 TYR QE 0.000 . 5.000 2.400 2.055 2.652 . 0 0 "[ . 1 . 2]" 1
1187 1 97 VAL QG 1 134 TYR QD 0.000 . 3.500 3.042 2.584 3.203 . 0 0 "[ . 1 . 2]" 1
1188 1 98 GLU HA 1 101 ASN HB3 0.000 . 3.500 3.094 2.305 3.593 0.093 3 0 "[ . 1 . 2]" 1
1189 1 98 GLU HA 1 101 ASN HB2 0.000 . 3.500 2.959 1.908 3.621 0.121 13 0 "[ . 1 . 2]" 1
1190 1 99 ALA HA 1 102 HIS HB3 0.000 . 3.500 2.835 2.438 3.131 . 0 0 "[ . 1 . 2]" 1
1191 1 99 ALA HA 1 102 HIS HB2 0.000 . 3.500 3.473 2.580 3.566 0.066 10 0 "[ . 1 . 2]" 1
1192 1 100 ILE HA 1 103 ALA MB 0.000 . 3.500 2.281 1.986 2.605 . 0 0 "[ . 1 . 2]" 1
1193 1 100 ILE HA 1 110 ILE MD 0.000 . 3.500 3.138 2.392 3.576 0.076 3 0 "[ . 1 . 2]" 1
1194 1 100 ILE MD 1 131 LEU HA 0.000 . 5.000 3.782 3.607 3.937 . 0 0 "[ . 1 . 2]" 1
1195 1 100 ILE MG 1 134 TYR QD 0.000 . 3.500 3.522 3.334 3.641 0.141 9 0 "[ . 1 . 2]" 1
1196 1 100 ILE MD 1 134 TYR QD 0.000 . 3.500 3.371 2.907 3.562 0.062 2 0 "[ . 1 . 2]" 1
1197 1 100 ILE MD 1 134 TYR QE 0.000 . 5.000 4.531 3.954 4.911 . 0 0 "[ . 1 . 2]" 1
1198 1 100 ILE MD 1 134 TYR HB3 0.000 . 5.000 4.220 3.906 4.472 . 0 0 "[ . 1 . 2]" 1
1199 1 100 ILE MD 1 134 TYR HB2 0.000 . 5.000 3.431 3.215 3.602 . 0 0 "[ . 1 . 2]" 1
1200 1 102 HIS HB3 1 102 HIS HD2 0.000 . 3.500 2.871 2.766 3.078 . 0 0 "[ . 1 . 2]" 1
1201 1 102 HIS HD2 1 103 ALA HA 0.000 . 3.500 3.516 3.351 3.573 0.073 19 0 "[ . 1 . 2]" 1
1202 1 83 ILE HA 1 103 ALA MB 0.000 . 5.000 4.567 4.195 4.907 . 0 0 "[ . 1 . 2]" 1
1203 1 103 ALA MB 1 110 ILE HG13 0.000 . 3.500 3.350 2.752 3.640 0.140 16 0 "[ . 1 . 2]" 1
1204 1 103 ALA MB 1 110 ILE HG12 0.000 . 3.500 3.117 2.539 3.555 0.055 19 0 "[ . 1 . 2]" 1
1205 1 100 ILE QG 1 105 ALA H 0.000 . 5.000 4.297 4.020 4.800 . 0 0 "[ . 1 . 2]" 1
1206 1 107 ASN HA 1 107 ASN QB 0.000 . 2.700 2.381 2.144 2.508 . 0 0 "[ . 1 . 2]" 1
1207 1 107 ASN HA 1 108 VAL QG 0.000 . 5.000 4.001 3.744 4.432 . 0 0 "[ . 1 . 2]" 1
1208 1 107 ASN QB 1 108 VAL QG 0.000 . 5.000 3.967 3.614 4.469 . 0 0 "[ . 1 . 2]" 1
1209 1 107 ASN HA 1 108 VAL HA 0.000 . 5.000 4.492 4.387 4.645 . 0 0 "[ . 1 . 2]" 1
1210 1 104 LYS HA 1 107 ASN HA 0.000 . 5.000 4.203 3.853 4.444 . 0 0 "[ . 1 . 2]" 1
1211 1 108 VAL HA 1 109 PRO HD3 0.000 . 2.700 1.857 1.774 1.950 . 0 0 "[ . 1 . 2]" 1
1212 1 108 VAL HA 1 109 PRO HD2 0.000 . 2.700 2.731 2.683 2.776 0.076 8 0 "[ . 1 . 2]" 1
1213 1 108 VAL QG 1 109 PRO QD 0.000 . 3.500 2.244 1.923 2.615 . 0 0 "[ . 1 . 2]" 1
1214 1 108 VAL QG 1 109 PRO HA 0.000 . 3.500 3.559 3.514 3.608 0.108 16 0 "[ . 1 . 2]" 1
1215 1 108 VAL QG 1 109 PRO QB 0.000 . 3.500 3.614 3.511 3.697 0.197 9 0 "[ . 1 . 2]" 1
1216 1 81 ILE MD 1 109 PRO HB3 0.000 . 5.000 4.752 3.687 5.067 0.067 13 0 "[ . 1 . 2]" 1
1217 1 81 ILE MD 1 109 PRO HB2 0.000 . 5.000 3.512 2.531 3.774 . 0 0 "[ . 1 . 2]" 1
1218 1 109 PRO HA 1 110 ILE HB 0.000 . 5.000 4.239 4.031 4.479 . 0 0 "[ . 1 . 2]" 1
1219 1 110 ILE MG 1 112 VAL QG 0.000 . 3.500 2.992 2.532 3.338 . 0 0 "[ . 1 . 2]" 1
1220 1 104 LYS QE 1 110 ILE MD 0.000 . 5.000 3.907 1.883 5.145 0.145 20 0 "[ . 1 . 2]" 1
1221 1 110 ILE MG 1 112 VAL HA 0.000 . 5.000 4.038 3.706 4.310 . 0 0 "[ . 1 . 2]" 1
1222 1 84 LEU HA 1 110 ILE MG 0.000 . 5.000 4.255 3.867 4.592 . 0 0 "[ . 1 . 2]" 1
1223 1 83 ILE HA 1 111 ILE HA 0.000 . 5.000 3.964 3.903 4.051 . 0 0 "[ . 1 . 2]" 1
1224 1 83 ILE HA 1 111 ILE MG 0.000 . 3.500 3.228 3.032 3.477 . 0 0 "[ . 1 . 2]" 1
1225 1 83 ILE HA 1 111 ILE MD 0.000 . 5.000 2.234 1.974 2.493 . 0 0 "[ . 1 . 2]" 1
1226 1 83 ILE HA 1 111 ILE HB 0.000 . 5.000 1.730 1.488 2.073 . 0 0 "[ . 1 . 2]" 1
1227 1 111 ILE HA 1 145 THR HA 0.000 . 5.000 3.921 3.499 4.205 . 0 0 "[ . 1 . 2]" 1
1228 1 111 ILE HA 1 112 VAL QG 0.000 . 5.000 3.139 3.009 3.264 . 0 0 "[ . 1 . 2]" 1
1229 1 111 ILE MG 1 147 PHE HA 0.000 . 5.000 4.166 3.866 4.477 . 0 0 "[ . 1 . 2]" 1
1230 1 111 ILE MG 1 148 CYS QB 0.000 . 5.000 3.429 3.020 3.798 . 0 0 "[ . 1 . 2]" 1
1231 1 111 ILE MG 1 165 ILE HA 0.000 . 5.000 4.538 4.067 5.027 0.027 7 0 "[ . 1 . 2]" 1
1232 1 111 ILE MD 1 165 ILE HA 0.000 . 3.500 3.605 3.517 3.685 0.185 7 0 "[ . 1 . 2]" 1
1233 1 112 VAL QG 1 131 LEU HB3 0.000 . 5.000 3.777 3.538 4.376 . 0 0 "[ . 1 . 2]" 1
1234 1 112 VAL QG 1 131 LEU MD2 0.000 . 3.500 2.572 2.472 2.654 . 0 0 "[ . 1 . 2]" 1
1235 1 112 VAL QG 1 131 LEU MD1 0.000 . 3.500 2.811 2.525 2.953 . 0 0 "[ . 1 . 2]" 1
1236 1 112 VAL HB 1 147 PHE HA 0.000 . 2.700 2.152 2.030 2.293 . 0 0 "[ . 1 . 2]" 1
1237 1 112 VAL QG 1 147 PHE HA 0.000 . 3.500 2.035 1.871 2.237 . 0 0 "[ . 1 . 2]" 1
1238 1 112 VAL QG 1 147 PHE QD 0.000 . 3.500 2.522 2.463 2.558 . 0 0 "[ . 1 . 2]" 1
1239 1 112 VAL QG 1 147 PHE HZ 0.000 . 3.500 2.851 2.775 2.935 . 0 0 "[ . 1 . 2]" 1
1240 1 112 VAL QG 1 147 PHE QE 0.000 . 3.500 2.333 2.218 2.428 . 0 0 "[ . 1 . 2]" 1
1241 1 111 ILE MD 1 112 VAL H 0.000 . 3.500 2.410 1.937 3.271 . 0 0 "[ . 1 . 2]" 1
1242 1 113 ALA HA 1 148 CYS QB 0.000 . 3.500 2.353 2.069 2.560 . 0 0 "[ . 1 . 2]" 1
1243 1 113 ALA HA 1 114 ILE HB 0.000 . 5.000 4.687 4.579 4.789 . 0 0 "[ . 1 . 2]" 1
1244 1 113 ALA HA 1 114 ILE HG13 0.000 . 5.000 4.216 3.671 5.503 0.503 1 1 "[+ . 1 . 2]" 1
1245 1 85 VAL QG 1 113 ALA HA 0.000 . 5.000 2.223 1.889 2.561 . 0 0 "[ . 1 . 2]" 1
1246 1 85 VAL QG 1 113 ALA MB 0.000 . 5.000 1.681 1.526 1.789 . 0 0 "[ . 1 . 2]" 1
1247 1 112 VAL QG 1 114 ILE MD 0.000 . 5.000 2.991 2.024 3.439 . 0 0 "[ . 1 . 2]" 1
1248 1 114 ILE MD 1 147 PHE QD 0.000 . 3.500 1.746 1.384 2.345 . 0 0 "[ . 1 . 2]" 1
1249 1 114 ILE MD 1 147 PHE QE 0.000 . 3.500 3.059 2.543 3.509 0.009 6 0 "[ . 1 . 2]" 1
1250 1 114 ILE MG 1 149 LYS HA 0.000 . 3.500 3.274 3.038 3.542 0.042 17 0 "[ . 1 . 2]" 1
1251 1 114 ILE HB 1 149 LYS HA 0.000 . 2.700 1.665 1.402 1.939 . 0 0 "[ . 1 . 2]" 1
1252 1 114 ILE MG 1 115 ASN HA 0.000 . 5.000 4.341 4.088 4.543 . 0 0 "[ . 1 . 2]" 1
1253 1 115 ASN HA 1 150 LEU HG 0.000 . 5.000 3.778 2.101 5.045 0.045 8 0 "[ . 1 . 2]" 1
1254 1 115 ASN HA 1 150 LEU QD 0.000 . 3.500 2.506 1.634 3.278 . 0 0 "[ . 1 . 2]" 1
1255 1 115 ASN QB 1 150 LEU QD 0.000 . 5.000 2.829 2.280 3.405 . 0 0 "[ . 1 . 2]" 1
1256 1 115 ASN HA 1 151 SER HA 0.000 . 5.000 3.428 3.026 4.112 . 0 0 "[ . 1 . 2]" 1
1257 1 115 ASN HA 1 151 SER QB 0.000 . 5.000 4.934 4.414 5.096 0.096 17 0 "[ . 1 . 2]" 1
1258 1 117 MET HA 1 117 MET ME 0.000 . 3.500 3.418 2.989 3.650 0.150 19 0 "[ . 1 . 2]" 1
1259 1 117 MET ME 1 150 LEU QD 0.000 . 5.000 5.036 4.829 5.167 0.167 17 0 "[ . 1 . 2]" 1
1260 1 117 MET ME 1 123 ASN HA 0.000 . 5.000 4.719 4.238 5.075 0.075 1 0 "[ . 1 . 2]" 1
1261 1 117 MET ME 1 124 PRO HD3 0.000 . 3.500 2.214 1.808 2.690 . 0 0 "[ . 1 . 2]" 1
1262 1 117 MET ME 1 124 PRO HD2 0.000 . 3.500 3.565 3.270 3.641 0.141 19 0 "[ . 1 . 2]" 1
1263 1 118 ASP HA 1 118 ASP QB 0.000 . 2.700 2.239 2.166 2.434 . 0 0 "[ . 1 . 2]" 1
1264 1 118 ASP HA 1 154 THR MG 0.000 . 5.000 4.303 2.105 5.048 0.048 3 0 "[ . 1 . 2]" 1
1265 1 118 ASP QB 1 154 THR MG 0.000 . 3.500 3.147 2.130 3.651 0.151 5 0 "[ . 1 . 2]" 1
1266 1 119 LYS H 1 119 LYS QG 0.000 . 3.500 2.442 1.816 3.430 . 0 0 "[ . 1 . 2]" 1
1267 1 119 LYS H 1 119 LYS QB 0.000 . 3.500 2.669 2.321 3.278 . 0 0 "[ . 1 . 2]" 1
1268 1 119 LYS HA 1 120 PRO HD3 0.000 . 3.500 2.973 2.443 3.833 0.333 10 0 "[ . 1 . 2]" 1
1269 1 119 LYS HA 1 120 PRO HD2 0.000 . 3.500 2.908 2.149 3.767 0.267 5 0 "[ . 1 . 2]" 1
1270 1 118 ASP HA 1 121 GLU H 0.000 . 5.000 4.567 3.911 5.078 0.078 11 0 "[ . 1 . 2]" 1
1271 1 117 MET HA 1 121 GLU H 0.000 . 3.500 3.337 2.161 3.535 0.035 12 0 "[ . 1 . 2]" 1
1272 1 119 LYS QG 1 121 GLU H 0.000 . 5.000 4.019 1.714 4.997 . 0 0 "[ . 1 . 2]" 1
1273 1 119 LYS QB 1 121 GLU H 0.000 . 5.000 3.078 2.607 4.981 . 0 0 "[ . 1 . 2]" 1
1274 1 122 ALA MB 1 123 ASN HA 0.000 . 7.000 4.188 3.813 4.969 . 0 0 "[ . 1 . 2]" 1
1275 1 117 MET HA 1 122 ALA MB 0.000 . 7.000 3.925 1.774 5.700 . 0 0 "[ . 1 . 2]" 1
1276 1 120 PRO HA 1 122 ALA HA 0.000 . 7.000 4.447 4.201 4.974 . 0 0 "[ . 1 . 2]" 1
1277 1 88 ALA HA 1 122 ALA H 0.000 . 7.000 3.974 3.268 5.117 . 0 0 "[ . 1 . 2]" 1
1278 1 121 GLU QG 1 123 ASN HA 0.000 . 3.500 3.484 2.975 3.854 0.354 8 0 "[ . 1 . 2]" 1
1279 1 121 GLU QB 1 123 ASN HA 0.000 . 5.000 3.333 2.921 3.604 . 0 0 "[ . 1 . 2]" 1
1280 1 123 ASN HA 1 124 PRO HD3 0.000 . 3.500 3.028 2.205 3.434 . 0 0 "[ . 1 . 2]" 1
1281 1 123 ASN HA 1 124 PRO HD2 0.000 . 3.500 1.887 1.701 2.091 . 0 0 "[ . 1 . 2]" 1
1282 1 121 GLU QB 1 123 ASN QB 0.000 . 5.000 2.556 2.083 3.478 . 0 0 "[ . 1 . 2]" 1
1283 1 88 ALA HA 1 123 ASN H 0.000 . 5.000 4.302 3.833 5.009 0.009 10 0 "[ . 1 . 2]" 1
1284 1 121 GLU HA 1 123 ASN H 0.000 . 5.000 4.057 3.385 4.722 . 0 0 "[ . 1 . 2]" 1
1285 1 114 ILE MG 1 124 PRO HA 0.000 . 5.000 3.634 2.901 4.120 . 0 0 "[ . 1 . 2]" 1
1286 1 125 ASP HA 1 141 TRP HH2 0.000 . 3.500 3.682 3.631 3.734 0.234 4 0 "[ . 1 . 2]" 1
1287 1 125 ASP HA 1 141 TRP HZ2 0.000 . 5.000 2.656 2.267 2.964 . 0 0 "[ . 1 . 2]" 1
1288 1 125 ASP QB 1 141 TRP HH2 0.000 . 5.000 4.814 4.302 5.129 0.129 7 0 "[ . 1 . 2]" 1
1289 1 125 ASP QB 1 141 TRP HZ2 0.000 . 5.000 4.076 3.498 4.755 . 0 0 "[ . 1 . 2]" 1
1290 1 127 VAL HA 1 130 GLU QG 0.000 . 3.500 2.213 1.869 3.137 . 0 0 "[ . 1 . 2]" 1
1291 1 128 MET HA 1 141 TRP HZ3 0.000 . 3.500 2.128 1.791 2.515 . 0 0 "[ . 1 . 2]" 1
1292 1 128 MET HA 1 141 TRP HH2 0.000 . 5.000 3.646 3.463 3.885 . 0 0 "[ . 1 . 2]" 1
1293 1 128 MET HA 1 131 LEU HB2 0.000 . 3.500 2.807 2.570 3.306 . 0 0 "[ . 1 . 2]" 1
1294 1 128 MET HA 1 131 LEU MD2 0.000 . 3.500 2.575 2.264 3.318 . 0 0 "[ . 1 . 2]" 1
1295 1 128 MET ME 1 140 GLU QB 0.000 . 3.500 2.889 2.328 3.190 . 0 0 "[ . 1 . 2]" 1
1296 1 128 MET ME 1 140 GLU HG3 0.000 . 3.500 2.233 1.539 3.547 0.047 4 0 "[ . 1 . 2]" 1
1297 1 128 MET ME 1 140 GLU HG2 0.000 . 3.500 2.433 1.746 2.874 . 0 0 "[ . 1 . 2]" 1
1298 1 128 MET ME 1 138 PRO HG3 0.000 . 3.500 2.692 2.448 3.108 . 0 0 "[ . 1 . 2]" 1
1299 1 128 MET ME 1 138 PRO HG2 0.000 . 3.500 2.340 2.100 2.723 . 0 0 "[ . 1 . 2]" 1
1300 1 128 MET ME 1 138 PRO HA 0.000 . 5.000 4.236 4.038 4.549 . 0 0 "[ . 1 . 2]" 1
1301 1 128 MET ME 1 147 PHE HA 0.000 . 5.000 4.739 4.503 4.884 . 0 0 "[ . 1 . 2]" 1
1302 1 128 MET ME 1 147 PHE HB3 0.000 . 3.500 2.971 2.627 3.200 . 0 0 "[ . 1 . 2]" 1
1303 1 128 MET ME 1 147 PHE HB2 0.000 . 3.500 2.575 2.119 2.781 . 0 0 "[ . 1 . 2]" 1
1304 1 128 MET ME 1 141 TRP HZ2 0.000 . 3.500 2.555 2.296 2.929 . 0 0 "[ . 1 . 2]" 1
1305 1 128 MET ME 1 141 TRP HD1 0.000 . 3.500 3.259 3.065 3.419 . 0 0 "[ . 1 . 2]" 1
1306 1 128 MET ME 1 141 TRP HH2 0.000 . 3.500 2.893 2.776 3.032 . 0 0 "[ . 1 . 2]" 1
1307 1 129 GLN HA 1 132 MET HB3 0.000 . 3.500 3.517 3.446 3.556 0.056 2 0 "[ . 1 . 2]" 1
1308 1 129 GLN HA 1 132 MET HB2 0.000 . 5.000 4.452 4.378 4.549 . 0 0 "[ . 1 . 2]" 1
1309 1 129 GLN HA 1 141 TRP HZ3 0.000 . 3.500 2.476 2.245 2.583 . 0 0 "[ . 1 . 2]" 1
1310 1 129 GLN HA 1 141 TRP HH2 0.000 . 3.500 2.528 2.327 2.740 . 0 0 "[ . 1 . 2]" 1
1311 1 129 GLN HG3 1 141 TRP HH2 0.000 . 3.500 2.008 1.732 2.217 . 0 0 "[ . 1 . 2]" 1
1312 1 129 GLN HG3 1 141 TRP HZ3 0.000 . 3.500 3.548 3.505 3.584 0.084 6 0 "[ . 1 . 2]" 1
1313 1 129 GLN HG2 1 141 TRP HH2 0.000 . 3.500 2.818 2.449 3.135 . 0 0 "[ . 1 . 2]" 1
1314 1 129 GLN HG2 1 141 TRP HZ3 0.000 . 3.500 2.927 2.439 3.445 . 0 0 "[ . 1 . 2]" 1
1315 1 130 GLU HA 1 133 GLU QB 0.000 . 3.500 2.247 2.048 2.583 . 0 0 "[ . 1 . 2]" 1
1316 1 131 LEU HA 1 134 TYR QB 0.000 . 3.500 3.531 3.409 3.568 0.068 9 0 "[ . 1 . 2]" 1
1317 1 131 LEU HA 1 134 TYR QE 0.000 . 5.000 3.493 2.817 3.909 . 0 0 "[ . 1 . 2]" 1
1318 1 131 LEU QB 1 134 TYR QE 0.000 . 5.000 2.861 2.699 3.373 . 0 0 "[ . 1 . 2]" 1
1319 1 131 LEU MD2 1 134 TYR QE 0.000 . 3.500 2.310 2.021 2.501 . 0 0 "[ . 1 . 2]" 1
1320 1 131 LEU HA 1 134 TYR QD 0.000 . 5.000 2.202 1.839 2.455 . 0 0 "[ . 1 . 2]" 1
1321 1 131 LEU QB 1 134 TYR QD 0.000 . 5.000 1.599 1.330 2.338 . 0 0 "[ . 1 . 2]" 1
1322 1 131 LEU MD2 1 134 TYR QD 0.000 . 3.500 2.306 1.605 2.584 . 0 0 "[ . 1 . 2]" 1
1323 1 131 LEU MD1 1 134 TYR QD 0.000 . 3.500 2.484 2.017 2.849 . 0 0 "[ . 1 . 2]" 1
1324 1 132 MET HA 1 137 VAL HA 0.000 . 5.000 3.156 2.742 3.473 . 0 0 "[ . 1 . 2]" 1
1325 1 132 MET HB3 1 137 VAL HA 0.000 . 5.000 2.380 2.175 2.639 . 0 0 "[ . 1 . 2]" 1
1326 1 132 MET HB2 1 137 VAL HA 0.000 . 5.000 2.656 2.428 2.881 . 0 0 "[ . 1 . 2]" 1
1327 1 132 MET HB3 1 135 ASN HA 0.000 . 5.000 5.052 4.940 5.109 0.109 2 0 "[ . 1 . 2]" 1
1328 1 132 MET HB2 1 135 ASN HA 0.000 . 5.000 3.821 3.683 3.907 . 0 0 "[ . 1 . 2]" 1
1329 1 132 MET HB3 1 138 PRO QD 0.000 . 5.000 2.202 1.976 2.458 . 0 0 "[ . 1 . 2]" 1
1330 1 132 MET HB2 1 138 PRO QD 0.000 . 5.000 3.279 2.994 3.507 . 0 0 "[ . 1 . 2]" 1
1331 1 132 MET HA 1 138 PRO HD3 0.000 . 5.000 3.880 3.502 4.222 . 0 0 "[ . 1 . 2]" 1
1332 1 132 MET HA 1 137 VAL QG 0.000 . 3.500 3.364 3.128 3.519 0.019 2 0 "[ . 1 . 2]" 1
1333 1 132 MET HB3 1 137 VAL QG 0.000 . 3.500 2.950 2.827 3.081 . 0 0 "[ . 1 . 2]" 1
1334 1 132 MET HB2 1 137 VAL QG 0.000 . 3.500 2.174 2.048 2.321 . 0 0 "[ . 1 . 2]" 1
1335 1 132 MET ME 1 137 VAL HA 0.000 . 3.500 3.323 3.111 3.459 . 0 0 "[ . 1 . 2]" 1
1336 1 132 MET ME 1 137 VAL QG 0.000 . 2.700 1.814 1.707 1.900 . 0 0 "[ . 1 . 2]" 1
1337 1 132 MET HA 1 132 MET ME 0.000 . 3.500 3.439 3.313 3.506 0.006 1 0 "[ . 1 . 2]" 1
1338 1 132 MET ME 1 138 PRO HD2 0.000 . 3.500 3.628 3.572 3.680 0.180 11 0 "[ . 1 . 2]" 1
1339 1 132 MET ME 1 135 ASN HA 0.000 . 3.500 3.637 3.601 3.679 0.179 7 0 "[ . 1 . 2]" 1
1340 1 132 MET ME 1 141 TRP HH2 0.000 . 5.000 5.078 5.016 5.144 0.144 7 0 "[ . 1 . 2]" 1
1341 1 132 MET ME 1 141 TRP HE3 0.000 . 3.500 2.545 2.343 2.772 . 0 0 "[ . 1 . 2]" 1
1342 1 132 MET ME 1 141 TRP HZ3 0.000 . 3.500 2.915 2.849 2.999 . 0 0 "[ . 1 . 2]" 1
1343 1 134 TYR HA 1 134 TYR HB3 0.000 . 2.700 2.387 2.343 2.427 . 0 0 "[ . 1 . 2]" 1
1344 1 134 TYR HA 1 134 TYR HB2 0.000 . 2.700 2.975 2.967 2.979 0.279 9 0 "[ . 1 . 2]" 1
1345 1 134 TYR HA 1 134 TYR QD 0.000 . 2.700 2.465 2.269 2.599 . 0 0 "[ . 1 . 2]" 1
1346 1 134 TYR HB3 1 134 TYR QD 0.000 . 2.700 2.584 2.500 2.690 . 0 0 "[ . 1 . 2]" 1
1347 1 134 TYR HB2 1 134 TYR QD 0.000 . 2.700 2.299 2.270 2.323 . 0 0 "[ . 1 . 2]" 1
1348 1 134 TYR HB3 1 134 TYR QE 0.000 . 5.000 4.465 4.418 4.513 . 0 0 "[ . 1 . 2]" 1
1349 1 134 TYR HA 1 136 LEU QD 0.000 . 5.000 3.863 3.693 4.281 . 0 0 "[ . 1 . 2]" 1
1350 1 134 TYR HB2 1 136 LEU QD 0.000 . 3.500 1.883 1.593 2.213 . 0 0 "[ . 1 . 2]" 1
1351 1 134 TYR HB3 1 136 LEU QD 0.000 . 3.500 2.770 2.554 2.977 . 0 0 "[ . 1 . 2]" 1
1352 1 135 ASN HA 1 137 VAL QG 0.000 . 3.500 3.339 3.047 3.568 0.068 2 0 "[ . 1 . 2]" 1
1353 1 136 LEU HA 1 136 LEU QB 0.000 . 2.700 2.299 2.164 2.458 . 0 0 "[ . 1 . 2]" 1
1354 1 136 LEU HA 1 137 VAL QG 0.000 . 3.500 3.371 3.200 3.615 0.115 20 0 "[ . 1 . 2]" 1
1355 1 137 VAL HA 1 138 PRO HG3 0.000 . 5.000 4.298 4.241 4.361 . 0 0 "[ . 1 . 2]" 1
1356 1 137 VAL HA 1 138 PRO HG2 0.000 . 5.000 4.273 4.197 4.348 . 0 0 "[ . 1 . 2]" 1
1357 1 137 VAL HA 1 138 PRO HD3 0.000 . 3.500 2.163 2.093 2.252 . 0 0 "[ . 1 . 2]" 1
1358 1 137 VAL HA 1 138 PRO HD2 0.000 . 3.500 2.133 2.013 2.234 . 0 0 "[ . 1 . 2]" 1
1359 1 137 VAL QG 1 138 PRO HD3 0.000 . 3.500 3.355 3.245 3.521 0.021 1 0 "[ . 1 . 2]" 1
1360 1 137 VAL QG 1 138 PRO HD2 0.000 . 3.500 2.235 2.066 2.480 . 0 0 "[ . 1 . 2]" 1
1361 1 137 VAL QG 1 141 TRP HE3 0.000 . 3.500 2.147 2.032 2.351 . 0 0 "[ . 1 . 2]" 1
1362 1 137 VAL QG 1 141 TRP HD1 0.000 . 3.500 3.611 3.526 3.748 0.248 19 0 "[ . 1 . 2]" 1
1363 1 137 VAL QG 1 141 TRP HA 0.000 . 5.000 4.628 4.028 5.035 0.035 2 0 "[ . 1 . 2]" 1
1364 1 137 VAL QG 1 141 TRP HB3 0.000 . 3.500 3.074 2.726 3.476 . 0 0 "[ . 1 . 2]" 1
1365 1 137 VAL QG 1 141 TRP HB2 0.000 . 3.500 2.323 1.856 2.790 . 0 0 "[ . 1 . 2]" 1
1366 1 138 PRO HA 1 145 THR HB 0.000 . 3.500 2.281 2.030 2.618 . 0 0 "[ . 1 . 2]" 1
1367 1 138 PRO HA 1 147 PHE QD 0.000 . 2.700 2.305 2.135 2.512 . 0 0 "[ . 1 . 2]" 1
1368 1 138 PRO HA 1 147 PHE QE 0.000 . 2.700 2.580 2.416 2.710 0.010 7 0 "[ . 1 . 2]" 1
1369 1 138 PRO HB3 1 147 PHE QD 0.000 . 5.000 2.321 2.062 2.635 . 0 0 "[ . 1 . 2]" 1
1370 1 138 PRO HB2 1 147 PHE QD 0.000 . 5.000 3.949 3.764 4.223 . 0 0 "[ . 1 . 2]" 1
1371 1 138 PRO HD2 1 141 TRP HE3 0.000 . 3.500 2.313 2.187 2.405 . 0 0 "[ . 1 . 2]" 1
1372 1 138 PRO HD2 1 141 TRP HB3 0.000 . 5.000 4.244 3.957 4.513 . 0 0 "[ . 1 . 2]" 1
1373 1 138 PRO HD2 1 141 TRP HB2 0.000 . 5.000 3.040 2.776 3.251 . 0 0 "[ . 1 . 2]" 1
1374 1 138 PRO HG3 1 147 PHE QD 0.000 . 3.500 2.929 2.701 3.277 . 0 0 "[ . 1 . 2]" 1
1375 1 139 GLU HA 1 144 ASP HA 0.000 . 5.000 4.466 4.035 4.775 . 0 0 "[ . 1 . 2]" 1
1376 1 139 GLU QB 1 144 ASP HA 0.000 . 5.000 4.965 4.310 5.149 0.149 1 0 "[ . 1 . 2]" 1
1377 1 139 GLU QG 1 144 ASP HA 0.000 . 5.000 3.488 2.854 4.473 . 0 0 "[ . 1 . 2]" 1
1378 1 140 GLU HA 1 141 TRP HD1 0.000 . 5.000 3.800 3.691 3.908 . 0 0 "[ . 1 . 2]" 1
1379 1 140 GLU QB 1 141 TRP HD1 0.000 . 5.000 1.470 1.333 1.624 . 0 0 "[ . 1 . 2]" 1
1380 1 140 GLU HG3 1 141 TRP HD1 0.000 . 3.500 3.661 3.538 3.860 0.360 3 0 "[ . 1 . 2]" 1
1381 1 140 GLU HG2 1 141 TRP HD1 0.000 . 3.500 3.532 3.312 3.616 0.116 6 0 "[ . 1 . 2]" 1
1382 1 141 TRP HA 1 141 TRP HB3 0.000 . 2.700 2.359 2.330 2.384 . 0 0 "[ . 1 . 2]" 1
1383 1 141 TRP HA 1 141 TRP HB2 0.000 . 2.700 2.956 2.949 2.965 0.265 6 0 "[ . 1 . 2]" 1
1384 1 141 TRP HA 1 141 TRP HD1 0.000 . 2.700 2.612 2.524 2.699 . 0 0 "[ . 1 . 2]" 1
1385 1 141 TRP HA 1 141 TRP HE3 0.000 . 5.000 5.096 5.052 5.135 0.135 5 0 "[ . 1 . 2]" 1
1386 1 141 TRP HA 1 141 TRP HE1 0.000 . 5.000 5.002 4.941 5.051 0.051 18 0 "[ . 1 . 2]" 1
1387 1 140 GLU HB3 1 141 TRP HE1 0.000 . 3.500 3.465 2.860 3.741 0.241 15 0 "[ . 1 . 2]" 1
1388 1 140 GLU HB2 1 141 TRP HE1 0.000 . 3.500 2.832 2.505 3.452 . 0 0 "[ . 1 . 2]" 1
1389 1 128 MET ME 1 141 TRP HE1 0.000 . 5.000 2.314 2.138 2.573 . 0 0 "[ . 1 . 2]" 1
1390 1 138 PRO HB3 1 141 TRP HE1 0.000 . 5.000 4.433 4.140 4.677 . 0 0 "[ . 1 . 2]" 1
1391 1 137 VAL QG 1 143 GLY HA3 0.000 . 3.500 2.039 1.810 2.319 . 0 0 "[ . 1 . 2]" 1
1392 1 137 VAL QG 1 143 GLY HA2 0.000 . 3.500 2.606 2.393 2.927 . 0 0 "[ . 1 . 2]" 1
1393 1 137 VAL HB 1 143 GLY HA3 0.000 . 3.500 1.629 1.224 1.964 . 0 0 "[ . 1 . 2]" 1
1394 1 137 VAL HB 1 143 GLY HA2 0.000 . 3.500 2.856 2.440 3.260 . 0 0 "[ . 1 . 2]" 1
1395 1 144 ASP HA 1 144 ASP HB3 0.000 . 2.700 2.460 2.339 2.849 0.149 18 0 "[ . 1 . 2]" 1
1396 1 144 ASP HA 1 144 ASP HB2 0.000 . 2.700 2.528 2.417 2.879 0.179 6 0 "[ . 1 . 2]" 1
1397 1 137 VAL QG 1 144 ASP HA 0.000 . 5.000 5.169 5.103 5.313 0.313 9 0 "[ . 1 . 2]" 1
1398 1 145 THR HB 1 147 PHE QD 0.000 . 3.500 3.445 3.245 3.589 0.089 10 0 "[ . 1 . 2]" 1
1399 1 145 THR HB 1 147 PHE QE 0.000 . 3.500 2.559 2.406 2.695 . 0 0 "[ . 1 . 2]" 1
1400 1 145 THR MG 1 147 PHE QD 0.000 . 3.500 3.066 2.776 3.298 . 0 0 "[ . 1 . 2]" 1
1401 1 145 THR MG 1 147 PHE QE 0.000 . 3.500 2.654 2.481 3.007 . 0 0 "[ . 1 . 2]" 1
1402 1 112 VAL QG 1 145 THR MG 0.000 . 3.500 1.852 1.778 1.930 . 0 0 "[ . 1 . 2]" 1
1403 1 146 ILE HA 1 147 PHE HA 0.000 . 5.000 4.429 4.405 4.453 . 0 0 "[ . 1 . 2]" 1
1404 1 146 ILE MG 1 147 PHE HA 0.000 . 5.000 3.967 3.858 4.201 . 0 0 "[ . 1 . 2]" 1
1405 1 146 ILE MG 1 147 PHE QD 0.000 . 5.000 5.007 4.874 5.063 0.063 8 0 "[ . 1 . 2]" 1
1406 1 146 ILE MG 1 148 CYS HA 0.000 . 5.000 4.232 3.695 4.612 . 0 0 "[ . 1 . 2]" 1
1407 1 146 ILE MG 1 164 MET HA 0.000 . 5.000 3.900 3.500 4.717 . 0 0 "[ . 1 . 2]" 1
1408 1 111 ILE HA 1 146 ILE MG 0.000 . 5.000 3.945 3.648 4.259 . 0 0 "[ . 1 . 2]" 1
1409 1 146 ILE MG 1 165 ILE HA 0.000 . 5.000 4.823 2.867 5.072 0.072 13 0 "[ . 1 . 2]" 1
1410 1 147 PHE HA 1 147 PHE QD 0.000 . 3.500 3.004 2.981 3.029 . 0 0 "[ . 1 . 2]" 1
1411 1 148 CYS HA 1 160 HIS HD2 0.000 . 3.500 3.186 2.766 3.542 0.042 10 0 "[ . 1 . 2]" 1
1412 1 148 CYS QB 1 160 HIS HD2 0.000 . 5.000 3.164 2.150 3.951 . 0 0 "[ . 1 . 2]" 1
1413 1 148 CYS HA 1 148 CYS QB 0.000 . 2.700 2.367 2.337 2.430 . 0 0 "[ . 1 . 2]" 1
1414 1 148 CYS QB 1 161 LEU HB2 0.000 . 5.000 3.558 3.097 4.188 . 0 0 "[ . 1 . 2]" 1
1415 1 148 CYS QB 1 150 LEU QD 0.000 . 3.500 2.603 2.048 2.981 . 0 0 "[ . 1 . 2]" 1
1416 1 148 CYS QB 1 161 LEU MD1 0.000 . 5.000 2.713 2.228 4.426 . 0 0 "[ . 1 . 2]" 1
1417 1 149 LYS HA 1 150 LEU QD 0.000 . 5.000 3.108 2.778 3.282 . 0 0 "[ . 1 . 2]" 1
1418 1 113 ALA MB 1 149 LYS HA 0.000 . 5.000 3.164 2.597 4.135 . 0 0 "[ . 1 . 2]" 1
1419 1 150 LEU QD 1 151 SER HA 0.000 . 3.500 3.068 2.557 3.743 0.243 17 0 "[ . 1 . 2]" 1
1420 1 150 LEU HA 1 156 GLU QB 0.000 . 5.000 4.166 3.104 5.056 0.056 2 0 "[ . 1 . 2]" 1
1421 1 116 LYS HA 1 151 SER HA 0.000 . 5.000 4.064 3.162 4.856 . 0 0 "[ . 1 . 2]" 1
1422 1 151 SER HA 1 151 SER HB3 0.000 . 2.700 2.644 2.330 2.977 0.277 9 0 "[ . 1 . 2]" 1
1423 1 151 SER HA 1 151 SER HB2 0.000 . 2.700 2.666 2.380 2.971 0.271 20 0 "[ . 1 . 2]" 1
1424 1 151 SER HB3 1 156 GLU QG 0.000 . 5.000 4.724 3.682 5.112 0.112 19 0 "[ . 1 . 2]" 1
1425 1 151 SER HB2 1 156 GLU QG 0.000 . 5.000 4.635 3.831 5.054 0.054 14 0 "[ . 1 . 2]" 1
1426 1 151 SER HB3 1 156 GLU QB 0.000 . 5.000 4.371 2.879 5.049 0.049 8 0 "[ . 1 . 2]" 1
1427 1 151 SER HB2 1 156 GLU QB 0.000 . 5.000 4.260 3.436 5.125 0.125 2 0 "[ . 1 . 2]" 1
1428 1 152 ALA HA 1 155 LYS HA 0.000 . 3.500 3.224 2.117 3.542 0.042 9 0 "[ . 1 . 2]" 1
1429 1 23 THR HA 1 152 ALA MB 0.000 . 3.500 2.970 1.775 3.605 0.105 7 0 "[ . 1 . 2]" 1
1430 1 152 ALA HA 1 155 LYS QD 0.000 . 5.000 4.227 3.510 5.111 0.111 6 0 "[ . 1 . 2]" 1
1431 1 152 ALA HA 1 155 LYS QE 0.000 . 5.000 4.783 3.431 5.052 0.052 10 0 "[ . 1 . 2]" 1
1432 1 152 ALA HA 1 158 LEU HG 0.000 . 3.500 2.997 2.030 3.550 0.050 15 0 "[ . 1 . 2]" 1
1433 1 23 THR MG 1 152 ALA HA 0.000 . 3.500 2.277 1.538 3.114 . 0 0 "[ . 1 . 2]" 1
1434 1 23 THR MG 1 152 ALA MB 0.000 . 3.500 2.177 1.716 2.873 . 0 0 "[ . 1 . 2]" 1
1435 1 153 LYS HA 1 153 LYS HB3 0.000 . 2.700 2.491 2.280 2.974 0.274 19 0 "[ . 1 . 2]" 1
1436 1 153 LYS HA 1 153 LYS HB2 0.000 . 2.700 2.606 2.383 2.969 0.269 11 0 "[ . 1 . 2]" 1
1437 1 154 THR HB 1 156 GLU QB 0.000 . 5.000 3.836 2.903 4.697 . 0 0 "[ . 1 . 2]" 1
1438 1 154 THR HB 1 156 GLU QG 0.000 . 5.000 2.445 1.616 4.643 . 0 0 "[ . 1 . 2]" 1
1439 1 155 LYS HA 1 158 LEU MD1 0.000 . 5.000 3.379 1.844 4.709 . 0 0 "[ . 1 . 2]" 1
1440 1 155 LYS HA 1 158 LEU HB2 0.000 . 3.500 2.803 1.930 3.436 . 0 0 "[ . 1 . 2]" 1
1441 1 150 LEU HA 1 157 GLY HA2 0.000 . 3.500 3.271 1.899 3.563 0.063 2 0 "[ . 1 . 2]" 1
1442 1 150 LEU HA 1 157 GLY HA3 0.000 . 3.500 2.016 1.602 2.381 . 0 0 "[ . 1 . 2]" 1
1443 1 150 LEU QB 1 157 GLY HA3 0.000 . 3.500 1.793 1.362 2.851 . 0 0 "[ . 1 . 2]" 1
1444 1 150 LEU QB 1 157 GLY HA2 0.000 . 3.500 3.081 2.740 3.686 0.186 17 0 "[ . 1 . 2]" 1
1445 1 150 LEU QD 1 157 GLY HA3 0.000 . 5.000 3.271 1.929 3.822 . 0 0 "[ . 1 . 2]" 1
1446 1 150 LEU QD 1 157 GLY HA2 0.000 . 5.000 4.310 2.315 4.887 . 0 0 "[ . 1 . 2]" 1
1447 1 157 GLY HA3 1 160 HIS QB 0.000 . 5.000 3.582 3.102 5.045 0.045 17 0 "[ . 1 . 2]" 1
1448 1 157 GLY HA2 1 160 HIS QB 0.000 . 5.000 2.248 1.743 3.612 . 0 0 "[ . 1 . 2]" 1
1449 1 158 LEU HA 1 161 LEU QB 0.000 . 3.500 2.593 2.218 2.966 . 0 0 "[ . 1 . 2]" 1
1450 1 28 ILE MD 1 158 LEU HA 0.000 . 5.000 4.828 3.833 5.116 0.116 14 0 "[ . 1 . 2]" 1
1451 1 28 ILE MD 1 158 LEU QD 0.000 . 5.000 2.680 1.840 3.194 . 0 0 "[ . 1 . 2]" 1
1452 1 28 ILE QG 1 158 LEU QD 0.000 . 5.000 2.337 1.659 3.068 . 0 0 "[ . 1 . 2]" 1
1453 1 159 ASP HA 1 162 LEU QD 0.000 . 3.500 2.770 2.252 3.380 . 0 0 "[ . 1 . 2]" 1
1454 1 160 HIS QB 1 160 HIS HD2 0.000 . 3.500 2.677 2.618 2.741 . 0 0 "[ . 1 . 2]" 1
1455 1 160 HIS HA 1 163 GLU QB 0.000 . 3.500 2.764 1.965 3.527 0.027 14 0 "[ . 1 . 2]" 1
1456 1 160 HIS HA 1 163 GLU QG 0.000 . 3.500 2.633 1.654 3.534 0.034 7 0 "[ . 1 . 2]" 1
1457 1 162 LEU HA 1 165 ILE HB 0.000 . 3.500 2.399 2.202 2.554 . 0 0 "[ . 1 . 2]" 1
1458 1 162 LEU HA 1 165 ILE MG 0.000 . 3.500 3.576 3.543 3.639 0.139 13 0 "[ . 1 . 2]" 1
1459 1 162 LEU HA 1 165 ILE MD 0.000 . 3.500 1.990 1.768 2.543 . 0 0 "[ . 1 . 2]" 1
1460 1 163 GLU HA 1 166 LEU QD 0.000 . 3.500 2.549 2.069 3.506 0.006 16 0 "[ . 1 . 2]" 1
1461 1 164 MET HA 1 167 LEU QB 0.000 . 3.500 2.352 2.196 2.512 . 0 0 "[ . 1 . 2]" 1
1462 1 163 GLU HA 1 164 MET H 0.000 . 5.000 3.534 3.463 3.577 . 0 0 "[ . 1 . 2]" 1
1463 1 164 MET H 1 164 MET QB 0.000 . 3.500 2.343 2.153 2.473 . 0 0 "[ . 1 . 2]" 1
1464 1 161 LEU HA 1 164 MET H 0.000 . 3.500 3.491 3.354 3.543 0.043 18 0 "[ . 1 . 2]" 1
1465 1 160 HIS HE1 1 164 MET ME 0.000 . 3.500 3.285 2.548 3.535 0.035 17 0 "[ . 1 . 2]" 1
1466 1 160 HIS HD2 1 164 MET ME 0.000 . 5.000 4.961 4.523 5.038 0.038 13 0 "[ . 1 . 2]" 1
1467 1 164 MET HA 1 164 MET ME 0.000 . 3.500 1.675 1.456 1.950 . 0 0 "[ . 1 . 2]" 1
1468 1 164 MET H 1 164 MET ME 0.000 . 3.500 3.106 2.771 3.459 . 0 0 "[ . 1 . 2]" 1
1469 1 164 MET ME 1 167 LEU HA 0.000 . 5.000 4.978 4.691 5.054 0.054 17 0 "[ . 1 . 2]" 1
1470 1 163 GLU HA 1 164 MET ME 0.000 . 5.000 4.387 3.989 5.034 0.034 4 0 "[ . 1 . 2]" 1
1471 1 168 VAL HA 1 171 MET ME 0.000 . 3.500 2.602 2.119 3.330 . 0 0 "[ . 1 . 2]" 1
1472 1 140 GLU HA 1 171 MET ME 0.000 . 3.500 3.427 2.869 3.623 0.123 14 0 "[ . 1 . 2]" 1
1473 1 168 VAL MG2 1 171 MET ME 0.000 . 3.500 2.246 1.605 2.950 . 0 0 "[ . 1 . 2]" 1
1474 1 168 VAL MG1 1 171 MET ME 0.000 . 3.500 2.882 1.855 3.540 0.040 4 0 "[ . 1 . 2]" 1
1475 1 177 ASN HA 1 178 PRO QD 0.000 . 3.500 2.395 1.721 3.566 0.066 15 0 "[ . 1 . 2]" 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 64
_Distance_constraint_stats_list.Viol_count 135
_Distance_constraint_stats_list.Viol_total 69.700
_Distance_constraint_stats_list.Viol_max 0.110
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0258
_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 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.020 0.011 14 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.020 0.011 14 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 1.189 0.110 20 0 "[ . 1 . 2]"
1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PRO 1.189 0.110 20 0 "[ . 1 . 2]"
1 110 ILE 0.955 0.056 19 0 "[ . 1 . 2]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.003 0.003 13 0 "[ . 1 . 2]"
1 124 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ARG 0.045 0.020 20 0 "[ . 1 . 2]"
1 127 VAL 0.105 0.056 8 0 "[ . 1 . 2]"
1 128 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLN 0.068 0.025 12 0 "[ . 1 . 2]"
1 130 GLU 0.365 0.056 2 0 "[ . 1 . 2]"
1 131 LEU 0.105 0.056 8 0 "[ . 1 . 2]"
1 132 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 GLU 0.068 0.025 12 0 "[ . 1 . 2]"
1 134 TYR 0.320 0.056 2 0 "[ . 1 . 2]"
1 144 ASP 0.955 0.056 19 0 "[ . 1 . 2]"
1 146 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 LEU 0.003 0.003 13 0 "[ . 1 . 2]"
1 156 GLU 0.589 0.064 8 0 "[ . 1 . 2]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 LEU 0.129 0.039 13 0 "[ . 1 . 2]"
1 159 ASP 0.045 0.018 18 0 "[ . 1 . 2]"
1 160 HIS 0.589 0.064 8 0 "[ . 1 . 2]"
1 161 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 LEU 0.129 0.039 13 0 "[ . 1 . 2]"
1 163 GLU 0.056 0.018 18 0 "[ . 1 . 2]"
1 164 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 LEU 0.019 0.011 13 0 "[ . 1 . 2]"
1 168 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 MET 0.007 0.006 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 THR O 1 83 ILE H 1.800 . 2.500 1.991 1.739 2.473 . 0 0 "[ . 1 . 2]" 2
2 1 12 THR O 1 83 ILE N 2.800 2.400 3.500 2.925 2.674 3.342 . 0 0 "[ . 1 . 2]" 2
3 1 14 MET O 1 85 VAL H 1.800 . 2.500 1.836 1.677 2.129 . 0 0 "[ . 1 . 2]" 2
4 1 14 MET O 1 85 VAL N 2.800 2.400 3.500 2.788 2.642 3.081 . 0 0 "[ . 1 . 2]" 2
5 1 14 MET H 1 83 ILE O 1.800 . 2.500 1.707 1.611 1.774 . 0 0 "[ . 1 . 2]" 2
6 1 14 MET N 1 83 ILE O 2.800 2.400 3.500 2.645 2.575 2.724 . 0 0 "[ . 1 . 2]" 2
7 1 82 VAL H 1 109 PRO O 1.800 . 2.500 2.548 2.347 2.610 0.110 20 0 "[ . 1 . 2]" 2
8 1 82 VAL N 1 109 PRO O 2.800 2.400 3.500 3.459 3.274 3.516 0.016 17 0 "[ . 1 . 2]" 2
9 1 84 LEU H 1 111 ILE O 1.800 . 2.500 1.776 1.643 2.165 . 0 0 "[ . 1 . 2]" 2
10 1 84 LEU N 1 111 ILE O 2.800 2.400 3.500 2.602 2.497 2.927 . 0 0 "[ . 1 . 2]" 2
11 1 86 VAL H 1 113 ALA O 1.800 . 2.500 1.793 1.706 1.899 . 0 0 "[ . 1 . 2]" 2
12 1 86 VAL N 1 113 ALA O 2.800 2.400 3.500 2.757 2.673 2.864 . 0 0 "[ . 1 . 2]" 2
13 1 110 ILE H 1 144 ASP O 1.800 . 2.500 2.535 2.514 2.556 0.056 19 0 "[ . 1 . 2]" 2
14 1 110 ILE N 1 144 ASP O 2.800 2.400 3.500 3.509 3.458 3.537 0.037 20 0 "[ . 1 . 2]" 2
15 1 82 VAL O 1 111 ILE H 1.800 . 2.500 1.819 1.672 1.955 . 0 0 "[ . 1 . 2]" 2
16 1 82 VAL O 1 111 ILE N 2.800 2.400 3.500 2.677 2.580 2.773 . 0 0 "[ . 1 . 2]" 2
17 1 112 VAL H 1 146 ILE O 1.800 . 2.500 1.753 1.578 2.141 . 0 0 "[ . 1 . 2]" 2
18 1 112 VAL N 1 146 ILE O 2.800 2.400 3.500 2.646 2.528 2.709 . 0 0 "[ . 1 . 2]" 2
19 1 84 LEU O 1 113 ALA H 1.800 . 2.500 1.926 1.771 2.154 . 0 0 "[ . 1 . 2]" 2
20 1 84 LEU O 1 113 ALA N 2.800 2.400 3.500 2.756 2.647 2.992 . 0 0 "[ . 1 . 2]" 2
21 1 114 ILE H 1 148 CYS O 1.800 . 2.500 1.880 1.767 2.039 . 0 0 "[ . 1 . 2]" 2
22 1 114 ILE N 1 148 CYS O 2.800 2.400 3.500 2.705 2.646 2.769 . 0 0 "[ . 1 . 2]" 2
23 1 112 VAL O 1 148 CYS H 1.800 . 2.500 1.906 1.716 2.234 . 0 0 "[ . 1 . 2]" 2
24 1 112 VAL O 1 148 CYS N 2.800 2.400 3.500 2.786 2.652 2.991 . 0 0 "[ . 1 . 2]" 2
25 1 114 ILE O 1 150 LEU H 1.800 . 2.500 2.141 1.621 2.503 0.003 13 0 "[ . 1 . 2]" 2
26 1 114 ILE O 1 150 LEU N 2.800 2.400 3.500 2.932 2.569 3.231 . 0 0 "[ . 1 . 2]" 2
27 1 22 THR O 1 26 ASP H 2.000 . 2.500 2.127 1.800 2.511 0.011 14 0 "[ . 1 . 2]" 2
28 1 22 THR O 1 26 ASP N 3.000 2.300 3.500 3.009 2.730 3.381 . 0 0 "[ . 1 . 2]" 2
29 1 23 THR O 1 27 ALA H 2.000 . 2.500 1.942 1.672 2.472 . 0 0 "[ . 1 . 2]" 2
30 1 23 THR O 1 27 ALA N 3.000 2.300 3.500 2.901 2.636 3.440 . 0 0 "[ . 1 . 2]" 2
31 1 24 LEU O 1 28 ILE H 2.000 . 2.500 1.930 1.725 2.324 . 0 0 "[ . 1 . 2]" 2
32 1 24 LEU O 1 28 ILE N 3.000 2.300 3.500 2.823 2.658 3.111 . 0 0 "[ . 1 . 2]" 2
33 1 124 PRO O 1 128 MET H 2.000 . 2.500 1.652 1.589 1.730 . 0 0 "[ . 1 . 2]" 2
34 1 124 PRO O 1 128 MET N 3.000 2.300 3.500 2.603 2.544 2.667 . 0 0 "[ . 1 . 2]" 2
35 1 125 ASP O 1 129 GLN H 2.000 . 2.500 1.906 1.767 2.016 . 0 0 "[ . 1 . 2]" 2
36 1 125 ASP O 1 129 GLN N 3.000 2.300 3.500 2.732 2.663 2.805 . 0 0 "[ . 1 . 2]" 2
37 1 126 ARG O 1 130 GLU H 2.000 . 2.500 2.320 2.040 2.520 0.020 20 0 "[ . 1 . 2]" 2
38 1 126 ARG O 1 130 GLU N 3.000 2.300 3.500 3.135 2.853 3.306 . 0 0 "[ . 1 . 2]" 2
39 1 127 VAL O 1 131 LEU H 2.000 . 2.500 2.371 2.107 2.556 0.056 8 0 "[ . 1 . 2]" 2
40 1 127 VAL O 1 131 LEU N 3.000 2.300 3.500 3.209 2.921 3.422 . 0 0 "[ . 1 . 2]" 2
41 1 128 MET O 1 132 MET H 2.000 . 2.500 2.133 1.978 2.446 . 0 0 "[ . 1 . 2]" 2
42 1 128 MET O 1 132 MET N 3.000 2.300 3.500 3.085 2.929 3.377 . 0 0 "[ . 1 . 2]" 2
43 1 129 GLN O 1 133 GLU H 2.000 . 2.500 2.448 2.302 2.525 0.025 12 0 "[ . 1 . 2]" 2
44 1 129 GLN O 1 133 GLU N 3.000 2.300 3.500 2.897 2.758 3.069 . 0 0 "[ . 1 . 2]" 2
45 1 130 GLU O 1 134 TYR H 2.000 . 2.500 2.495 2.326 2.556 0.056 2 0 "[ . 1 . 2]" 2
46 1 130 GLU O 1 134 TYR N 3.000 2.300 3.500 3.300 3.132 3.364 . 0 0 "[ . 1 . 2]" 2
47 1 156 GLU O 1 160 HIS H 2.000 . 2.500 2.524 2.450 2.564 0.064 8 0 "[ . 1 . 2]" 2
48 1 156 GLU O 1 160 HIS N 3.000 2.300 3.500 3.480 3.413 3.518 0.018 6 0 "[ . 1 . 2]" 2
49 1 157 GLY O 1 161 LEU H 2.000 . 2.500 1.972 1.776 2.270 . 0 0 "[ . 1 . 2]" 2
50 1 157 GLY O 1 161 LEU N 3.000 2.300 3.500 2.727 2.641 3.112 . 0 0 "[ . 1 . 2]" 2
51 1 158 LEU O 1 162 LEU H 2.000 . 2.500 2.338 1.987 2.539 0.039 13 0 "[ . 1 . 2]" 2
52 1 158 LEU O 1 162 LEU N 3.000 2.300 3.500 3.299 2.958 3.486 . 0 0 "[ . 1 . 2]" 2
53 1 159 ASP O 1 163 GLU H 2.000 . 2.500 2.319 2.027 2.518 0.018 18 0 "[ . 1 . 2]" 2
54 1 159 ASP O 1 163 GLU N 3.000 2.300 3.500 3.235 2.965 3.455 . 0 0 "[ . 1 . 2]" 2
55 1 160 HIS O 1 164 MET H 2.000 . 2.500 2.184 1.831 2.488 . 0 0 "[ . 1 . 2]" 2
56 1 160 HIS O 1 164 MET N 3.000 2.300 3.500 3.064 2.747 3.336 . 0 0 "[ . 1 . 2]" 2
57 1 161 LEU O 1 165 ILE H 2.000 . 2.500 1.921 1.800 2.101 . 0 0 "[ . 1 . 2]" 2
58 1 161 LEU O 1 165 ILE N 3.000 2.300 3.500 2.857 2.758 3.004 . 0 0 "[ . 1 . 2]" 2
59 1 163 GLU O 1 167 LEU H 2.000 . 2.500 2.060 1.804 2.511 0.011 13 0 "[ . 1 . 2]" 2
60 1 163 GLU O 1 167 LEU N 3.000 2.300 3.500 2.958 2.750 3.350 . 0 0 "[ . 1 . 2]" 2
61 1 164 MET O 1 168 VAL H 2.000 . 2.500 2.235 1.966 2.499 . 0 0 "[ . 1 . 2]" 2
62 1 164 MET O 1 168 VAL N 3.000 2.300 3.500 3.071 2.880 3.233 . 0 0 "[ . 1 . 2]" 2
63 1 167 LEU O 1 171 MET H 2.000 . 2.500 2.078 1.763 2.506 0.006 3 0 "[ . 1 . 2]" 2
64 1 167 LEU O 1 171 MET N 3.000 2.300 3.500 2.871 2.653 3.135 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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