NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647019 |
6s3w   |
27397 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6s3w
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 2049
_Distance_constraint_stats_list.Viol_count 8893
_Distance_constraint_stats_list.Viol_total 21723.727
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.0712
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0265
_Distance_constraint_stats_list.Viol_average_violations_only 0.1221
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 6.522 0.264 16 0 "[ . 1 . 2]"
1 2 ASP 2.656 0.500 15 1 "[ . 1 + 2]"
1 3 PRO 3.184 0.603 13 1 "[ . 1 + . 2]"
1 4 LEU 8.360 0.368 18 0 "[ . 1 . 2]"
1 5 VAL 8.352 0.985 12 3 "[ * .- 1 + . 2]"
1 6 ILE 14.576 0.985 12 3 "[ * .- 1 + . 2]"
1 7 SER 7.999 0.622 2 2 "[ + .- 1 . 2]"
1 8 SER 2.590 0.567 8 1 "[ . + 1 . 2]"
1 9 GLY 7.715 0.507 3 1 "[ + . 1 . 2]"
1 10 ASN 3.978 0.602 9 1 "[ . +1 . 2]"
1 11 ASP 4.221 0.298 17 0 "[ . 1 . 2]"
1 12 ARG 22.730 0.827 17 8 "[ .** ** *.*+ -2]"
1 13 ALA 6.580 0.827 17 6 "[ .** * *.-+ 2]"
2 4 ALA 0.012 0.012 7 0 "[ . 1 . 2]"
2 5 LEU 2.252 0.684 6 2 "[ - .+ 1 . 2]"
2 6 ALA 1.147 0.162 1 0 "[ . 1 . 2]"
2 7 GLU 7.834 0.699 6 9 "[ * .+ *** ** .* -2]"
2 8 LEU 8.092 0.699 6 9 "[ * .+ *** ** .* -2]"
2 10 SER 0.138 0.051 12 0 "[ . 1 . 2]"
2 11 ASP 1.566 0.137 11 0 "[ . 1 . 2]"
2 12 THR 0.795 0.145 13 0 "[ . 1 . 2]"
2 13 THR 1.752 0.145 13 0 "[ . 1 . 2]"
2 14 GLU 8.644 0.517 14 1 "[ . 1 +. 2]"
2 15 ARG 18.775 0.800 3 3 "[ + . 1 -*. 2]"
2 16 GLN 2.413 0.342 6 0 "[ . 1 . 2]"
2 17 GLN 4.098 0.342 6 0 "[ . 1 . 2]"
2 18 ALA 3.685 0.176 17 0 "[ . 1 . 2]"
2 19 LEU 0.783 0.290 12 0 "[ . 1 . 2]"
2 20 ALA 2.013 0.290 12 0 "[ . 1 . 2]"
2 21 ASP 4.909 0.781 2 2 "[ + . *1 . 2]"
2 22 GLU 3.870 0.759 9 2 "[ - . +1 . 2]"
2 23 VAL 6.566 0.411 18 0 "[ . 1 . 2]"
2 24 GLY 5.955 0.411 18 0 "[ . 1 . 2]"
2 25 SER 2.810 0.181 11 0 "[ . 1 . 2]"
2 26 GLU 17.002 0.698 15 3 "[ - . *1 + 2]"
2 27 VAL 8.234 0.245 9 0 "[ . 1 . 2]"
2 28 THR 14.454 0.500 15 1 "[ . 1 + 2]"
2 29 GLY 7.225 0.264 16 0 "[ . 1 . 2]"
2 30 SER 14.855 0.455 2 0 "[ . 1 . 2]"
2 31 LEU 24.869 0.341 1 0 "[ . 1 . 2]"
2 32 ASP 5.137 0.400 5 0 "[ . 1 . 2]"
2 33 ASP 23.200 0.400 5 0 "[ . 1 . 2]"
2 34 LEU 51.022 0.455 2 0 "[ . 1 . 2]"
2 35 ILE 34.643 0.722 16 1 "[ . 1 .+ 2]"
2 36 VAL 39.414 0.325 18 0 "[ . 1 . 2]"
2 37 ASN 28.309 0.343 13 0 "[ . 1 . 2]"
2 38 LEU 24.808 0.281 18 0 "[ . 1 . 2]"
2 39 VAL 14.249 0.239 6 0 "[ . 1 . 2]"
2 40 SER 14.936 0.329 1 0 "[ . 1 . 2]"
2 41 GLN 8.856 0.206 12 0 "[ . 1 . 2]"
2 42 GLN 13.686 0.244 5 0 "[ . 1 . 2]"
2 43 TRP 30.472 0.567 8 2 "[ - . + 1 . 2]"
2 44 ARG 11.187 0.337 17 0 "[ . 1 . 2]"
2 45 ARG 2.310 0.236 1 0 "[ . 1 . 2]"
2 46 PRO 2.765 0.322 20 0 "[ . 1 . 2]"
2 47 PRO 4.162 0.429 8 0 "[ . 1 . 2]"
2 48 SER 1.977 0.095 10 0 "[ . 1 . 2]"
2 49 ALA 10.412 0.322 20 0 "[ . 1 . 2]"
2 50 ARG 7.614 0.460 4 0 "[ . 1 . 2]"
2 51 ASN 7.711 0.275 12 0 "[ . 1 . 2]"
2 52 GLY 8.460 0.915 7 3 "[ - + 1 . * 2]"
2 53 MET 23.502 0.685 16 5 "[ * . -* .+* 2]"
2 54 SER 19.144 0.685 16 5 "[ * . -* .+* 2]"
2 55 VAL 3.643 0.242 5 0 "[ . 1 . 2]"
2 56 GLU 5.462 0.415 14 0 "[ . 1 . 2]"
2 57 VAL 12.733 0.152 1 0 "[ . 1 . 2]"
2 58 LEU 52.363 0.468 14 0 "[ . 1 . 2]"
2 59 ILE 36.677 0.876 1 1 "[+ . 1 . 2]"
2 60 GLU 29.803 0.876 1 1 "[+ . 1 . 2]"
2 61 MET 30.270 0.262 15 0 "[ . 1 . 2]"
2 62 LEU 13.123 0.404 17 0 "[ . 1 . 2]"
2 63 PRO 8.382 0.307 17 0 "[ . 1 . 2]"
2 64 ASP 19.819 0.948 19 7 "[ . - 1* * * *+*]"
2 65 GLY 12.493 0.246 10 0 "[ . 1 . 2]"
2 66 THR 10.667 0.300 1 0 "[ . 1 . 2]"
2 67 ILE 22.451 0.262 15 0 "[ . 1 . 2]"
2 68 THR 9.179 0.374 16 0 "[ . 1 . 2]"
2 69 ASN 21.027 0.415 15 0 "[ . 1 . 2]"
2 70 ALA 16.240 0.283 15 0 "[ . 1 . 2]"
2 71 SER 19.728 0.380 1 0 "[ . 1 . 2]"
2 72 VAL 18.427 0.372 14 0 "[ . 1 . 2]"
2 73 SER 16.407 0.325 1 0 "[ . 1 . 2]"
2 74 ARG 8.954 0.428 18 0 "[ . 1 . 2]"
2 75 SER 0.765 0.372 14 0 "[ . 1 . 2]"
2 76 SER 1.625 0.153 16 0 "[ . 1 . 2]"
2 77 GLY 0.847 0.077 15 0 "[ . 1 . 2]"
2 78 ASP 10.379 0.459 19 0 "[ . 1 . 2]"
2 79 LYS 25.185 0.480 20 0 "[ . 1 . 2]"
2 80 PRO 10.501 0.200 18 0 "[ . 1 . 2]"
2 81 PHE 15.284 0.248 19 0 "[ . 1 . 2]"
2 82 ASP 11.841 0.457 6 0 "[ . 1 . 2]"
2 83 SER 7.301 0.308 6 0 "[ . 1 . 2]"
2 84 SER 6.780 0.142 15 0 "[ . 1 . 2]"
2 85 ALA 18.169 0.287 17 0 "[ . 1 . 2]"
2 86 VAL 29.413 0.323 2 0 "[ . 1 . 2]"
2 87 ALA 28.027 0.308 6 0 "[ . 1 . 2]"
2 88 ALA 25.118 0.337 17 0 "[ . 1 . 2]"
2 89 VAL 36.095 0.323 2 0 "[ . 1 . 2]"
2 90 ARG 24.861 0.323 2 0 "[ . 1 . 2]"
2 91 ASN 13.619 0.242 6 0 "[ . 1 . 2]"
2 92 VAL 18.684 0.410 12 0 "[ . 1 . 2]"
2 93 GLY 16.895 0.410 12 0 "[ . 1 . 2]"
2 94 ARG 17.368 0.315 19 0 "[ . 1 . 2]"
2 95 ILE 7.381 0.248 6 0 "[ . 1 . 2]"
2 96 PRO 7.161 0.400 8 0 "[ . 1 . 2]"
2 97 GLU 10.003 0.840 12 3 "[ . - + *. 2]"
2 98 MET 16.172 0.493 20 0 "[ . 1 . 2]"
2 99 GLN 22.426 0.948 19 7 "[ . - 1* * * *+*]"
2 100 GLN 19.037 0.803 1 1 "[+ . 1 . 2]"
2 101 LEU 26.285 0.803 1 1 "[+ . 1 . 2]"
2 102 PRO 21.583 0.275 13 0 "[ . 1 . 2]"
2 103 ARG 16.621 0.603 15 6 "[* . - 1 * +* *2]"
2 104 ALA 12.016 0.218 12 0 "[ . 1 . 2]"
2 105 THR 29.769 0.603 15 6 "[* . - 1 * +* *2]"
2 106 PHE 9.542 0.256 5 0 "[ . 1 . 2]"
2 107 ASP 11.385 0.587 12 3 "[ . -1 + * 2]"
2 108 SER 13.694 0.184 19 0 "[ . 1 . 2]"
2 109 LEU 19.850 0.982 13 4 "[ * . * 1 + - 2]"
2 110 TYR 9.926 0.795 2 3 "[ + . - 1 * . 2]"
2 111 ARG 35.278 0.982 13 6 "[ * . *-1 *+ * 2]"
2 112 GLN 26.632 0.285 12 0 "[ . 1 . 2]"
2 113 ARG 17.792 0.976 16 4 "[* . - *+ 2]"
2 114 ARG 19.144 0.917 13 2 "[ . 1 + . - 2]"
2 115 ILE 53.184 0.771 13 1 "[ . 1 + . 2]"
2 116 ILE 8.666 0.588 18 1 "[ . 1 . + 2]"
2 117 PHE 4.876 0.231 6 0 "[ . 1 . 2]"
2 118 LYS 21.364 0.968 3 6 "[* + * - 1 * * 2]"
2 119 PRO 2.326 0.271 4 0 "[ . 1 . 2]"
2 120 GLU 8.773 0.330 7 0 "[ . 1 . 2]"
2 121 ASP 5.034 0.284 20 0 "[ . 1 . 2]"
2 122 LEU 13.329 0.240 4 0 "[ . 1 . 2]"
2 123 SER 5.947 0.223 14 0 "[ . 1 . 2]"
2 124 LEU 8.834 0.295 5 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 2 38 LEU QD 2 96 PRO QD 2.400 . 3.120 1.891 1.762 2.175 . 0 0 "[ . 1 . 2]" 1
2 2 100 GLN HB2 2 101 LEU HA 2.570 . 3.395 3.356 3.216 3.461 0.066 1 0 "[ . 1 . 2]" 1
3 2 112 GLN HA 2 112 GLN QG 2.339 . 3.008 2.228 2.159 2.279 . 0 0 "[ . 1 . 2]" 1
4 2 112 GLN HB2 2 112 GLN QG 2.203 . 2.796 2.407 2.332 2.480 . 0 0 "[ . 1 . 2]" 1
5 2 112 GLN HB3 2 112 GLN QG 2.205 . 2.799 2.246 2.180 2.327 . 0 0 "[ . 1 . 2]" 1
6 2 28 THR HA 2 28 THR MG 1.673 . 2.023 2.026 1.986 2.085 0.062 15 0 "[ . 1 . 2]" 1
7 2 58 LEU HB3 2 58 LEU MD2 1.846 . 2.272 1.978 1.927 2.016 . 0 0 "[ . 1 . 2]" 1
8 2 118 LYS HA 2 118 LYS QD 2.903 . 3.936 3.981 3.793 4.067 0.131 4 0 "[ . 1 . 2]" 1
9 2 118 LYS QD 2 118 LYS HE2 1.977 . 2.453 2.259 2.130 2.340 . 0 0 "[ . 1 . 2]" 1
10 2 118 LYS HB3 2 118 LYS QD 2.296 . 2.941 2.383 2.228 2.795 . 0 0 "[ . 1 . 2]" 1
11 2 120 GLU HA 2 120 GLU QG 2.346 . 3.019 2.688 2.296 3.276 0.257 13 0 "[ . 1 . 2]" 1
12 2 61 MET ME 2 98 MET HB3 2.222 . 2.839 2.853 2.782 2.945 0.106 10 0 "[ . 1 . 2]" 1
13 2 14 GLU HA 2 14 GLU QG 2.308 . 2.959 2.512 2.267 3.015 0.056 16 0 "[ . 1 . 2]" 1
14 2 15 ARG HA 2 15 ARG QD 2.522 . 3.301 2.393 1.730 3.131 . 0 0 "[ . 1 . 2]" 1
15 2 57 VAL HB 2 57 VAL QG 2.095 . 2.631 1.901 1.894 1.905 . 0 0 "[ . 1 . 2]" 1
16 2 25 SER HA 2 25 SER QB 1.764 . 2.142 2.233 2.156 2.323 0.181 11 0 "[ . 1 . 2]" 1
17 2 79 LYS QB 2 79 LYS QG 2.160 . 2.729 2.015 1.952 2.058 . 0 0 "[ . 1 . 2]" 1
18 2 79 LYS QD 2 79 LYS QG 1.885 . 2.179 2.027 1.962 2.046 . 0 0 "[ . 1 . 2]" 1
19 2 79 LYS QB 2 79 LYS HD2 2.116 . 2.662 2.315 2.022 3.000 0.338 6 0 "[ . 1 . 2]" 1
20 2 79 LYS HD2 2 79 LYS HE2 1.835 . 2.244 2.248 2.171 2.278 0.034 15 0 "[ . 1 . 2]" 1
21 2 79 LYS QE 2 79 LYS QG 2.306 . 2.914 2.089 2.036 2.250 . 0 0 "[ . 1 . 2]" 1
22 2 79 LYS QB 2 79 LYS HE2 2.481 . 3.234 3.319 1.986 3.714 0.480 20 0 "[ . 1 . 2]" 1
23 2 63 PRO HB3 2 63 PRO QD 2.575 . 3.386 3.504 3.489 3.522 0.136 20 0 "[ . 1 . 2]" 1
24 2 63 PRO HA 2 63 PRO QD 2.762 . 3.697 3.375 3.323 3.421 . 0 0 "[ . 1 . 2]" 1
25 2 63 PRO QD 2 63 PRO HG2 2.325 . 2.985 2.195 2.187 2.204 . 0 0 "[ . 1 . 2]" 1
26 2 15 ARG HA 2 15 ARG QG 2.219 . 2.819 2.695 2.219 2.953 0.134 2 0 "[ . 1 . 2]" 1
27 2 15 ARG HB3 2 15 ARG QG 1.739 . 2.106 2.188 2.083 2.349 0.243 3 0 "[ . 1 . 2]" 1
28 2 15 ARG HB2 2 15 ARG QG 1.656 . 1.989 2.188 2.085 2.318 0.329 15 0 "[ . 1 . 2]" 1
29 2 116 ILE MG 2 118 LYS QD 2.218 . 2.819 2.832 2.556 2.978 0.159 7 0 "[ . 1 . 2]" 1
30 2 105 THR HA 2 109 LEU QD 2.214 . 2.827 2.170 1.963 2.304 . 0 0 "[ . 1 . 2]" 1
31 2 19 LEU HA 2 19 LEU QD 2.004 . 2.493 2.065 1.928 2.170 . 0 0 "[ . 1 . 2]" 1
32 2 56 GLU HA 2 56 GLU HB3 2.350 . 3.040 2.213 2.177 2.384 . 0 0 "[ . 1 . 2]" 1
33 2 98 MET QB 2 98 MET HG2 2.443 . 3.173 2.244 2.114 2.302 . 0 0 "[ . 1 . 2]" 1
34 2 58 LEU MD2 2 73 SER HA 2.527 . 3.325 3.432 3.406 3.476 0.151 9 0 "[ . 1 . 2]" 1
35 2 79 LYS QB 2 80 PRO HD2 2.078 . 2.604 2.414 2.283 2.516 . 0 0 "[ . 1 . 2]" 1
36 2 42 GLN HB3 2 91 ASN HB2 2.518 . 3.311 2.897 2.739 2.968 . 0 0 "[ . 1 . 2]" 1
37 2 46 PRO HA 2 46 PRO QB 2.189 . 2.774 2.196 2.183 2.204 . 0 0 "[ . 1 . 2]" 1
38 2 23 VAL HA 2 23 VAL QG 1.846 . 2.260 2.259 2.175 2.333 0.073 10 0 "[ . 1 . 2]" 1
39 2 19 LEU QD 2 19 LEU HG 1.852 . 2.269 1.892 1.889 1.896 . 0 0 "[ . 1 . 2]" 1
40 2 17 GLN HA 2 17 GLN QG 2.066 . 2.586 2.485 2.255 2.711 0.125 20 0 "[ . 1 . 2]" 1
41 2 19 LEU QB 2 19 LEU QD 1.986 . 2.466 1.991 1.931 2.073 . 0 0 "[ . 1 . 2]" 1
42 2 23 VAL QG 2 24 GLY HA3 2.526 . 3.306 2.973 2.761 3.270 . 0 0 "[ . 1 . 2]" 1
43 2 35 ILE HB 2 35 ILE MD 1.849 . 2.276 1.897 1.828 1.928 . 0 0 "[ . 1 . 2]" 1
44 2 90 ARG QB 2 90 ARG HD3 2.594 . 3.417 3.203 3.113 3.265 . 0 0 "[ . 1 . 2]" 1
45 2 90 ARG QB 2 90 ARG HG2 2.225 . 2.828 2.350 2.327 2.363 . 0 0 "[ . 1 . 2]" 1
46 2 60 GLU HA 2 112 GLN QG 2.565 . 3.369 2.543 2.430 2.634 . 0 0 "[ . 1 . 2]" 1
47 2 26 GLU HB2 2 109 LEU QD 3.099 . 4.300 2.597 1.682 3.859 0.229 17 0 "[ . 1 . 2]" 1
48 2 85 ALA MB 2 86 VAL HA 2.966 . 4.066 3.063 2.945 3.151 . 0 0 "[ . 1 . 2]" 1
49 2 74 ARG HA 2 74 ARG QG 2.143 . 2.703 2.713 2.350 2.848 0.145 16 0 "[ . 1 . 2]" 1
50 2 74 ARG QD 2 74 ARG QG 2.074 . 2.589 2.088 2.083 2.092 . 0 0 "[ . 1 . 2]" 1
51 2 94 ARG HA 2 94 ARG QB 2.041 . 2.550 2.232 2.143 2.429 . 0 0 "[ . 1 . 2]" 1
52 2 118 LYS QE 2 118 LYS QG 2.697 . 3.586 2.005 1.762 2.278 0.039 15 0 "[ . 1 . 2]" 1
53 2 118 LYS HB3 2 118 LYS QE 2.565 . 3.371 3.249 1.930 3.828 0.457 16 0 "[ . 1 . 2]" 1
54 2 31 LEU QD 2 101 LEU HG 2.598 . 3.420 2.558 2.178 3.272 . 0 0 "[ . 1 . 2]" 1
55 2 90 ARG HA 2 90 ARG QB 1.894 . 2.342 2.361 2.349 2.371 0.029 3 0 "[ . 1 . 2]" 1
56 2 124 LEU HA 2 124 LEU QB 1.832 . 2.251 2.238 2.122 2.493 0.242 13 0 "[ . 1 . 2]" 1
57 2 115 ILE H 2 115 ILE MG 2.319 . 2.991 2.833 2.768 2.950 . 0 0 "[ . 1 . 2]" 1
58 2 114 ARG H 2 114 ARG QG 2.523 . 3.286 2.235 2.027 2.606 . 0 0 "[ . 1 . 2]" 1
59 2 114 ARG H 2 114 ARG QB 2.645 . 3.483 2.449 2.322 2.734 . 0 0 "[ . 1 . 2]" 1
60 2 123 SER H 2 123 SER QB 2.285 . 2.908 2.478 2.163 2.957 0.049 2 0 "[ . 1 . 2]" 1
61 2 79 LYS HA 2 79 LYS QB 2.043 . 2.539 2.321 2.285 2.399 . 0 0 "[ . 1 . 2]" 1
62 2 79 LYS H 2 79 LYS QB 2.193 . 2.768 2.464 2.278 2.557 . 0 0 "[ . 1 . 2]" 1
63 2 79 LYS H 2 79 LYS QD 2.833 . 3.797 3.400 1.803 4.000 0.203 18 0 "[ . 1 . 2]" 1
64 2 31 LEU MD2 2 34 LEU HB3 2.605 . 3.453 3.577 3.531 3.634 0.181 8 0 "[ . 1 . 2]" 1
65 2 101 LEU QD 2 102 PRO HD3 1.935 . 2.403 2.176 1.895 2.237 . 0 0 "[ . 1 . 2]" 1
66 2 33 ASP HA 2 33 ASP QB 2.531 . 3.298 2.419 2.390 2.476 . 0 0 "[ . 1 . 2]" 1
67 2 53 MET H 2 122 LEU MD2 3.040 . 4.195 3.944 3.637 4.214 0.019 2 0 "[ . 1 . 2]" 1
68 2 120 GLU H 2 120 GLU QG 2.707 . 3.586 3.229 2.317 3.657 0.071 20 0 "[ . 1 . 2]" 1
69 2 118 LYS QD 2 118 LYS QG 2.279 . 2.899 2.034 1.975 2.076 . 0 0 "[ . 1 . 2]" 1
70 2 58 LEU HA 2 114 ARG HG3 2.596 . 3.439 3.519 3.421 3.593 0.154 13 0 "[ . 1 . 2]" 1
71 2 112 GLN HE22 2 112 GLN QG 2.549 . 3.327 3.348 3.260 3.408 0.081 7 0 "[ . 1 . 2]" 1
72 2 28 THR HA 2 109 LEU QD 2.401 . 3.122 2.236 1.964 2.570 . 0 0 "[ . 1 . 2]" 1
73 2 101 LEU H 2 101 LEU QD 2.412 . 3.139 2.888 2.803 3.037 . 0 0 "[ . 1 . 2]" 1
74 2 57 VAL MG1 2 59 ILE HA 2.571 . 3.397 3.364 3.282 3.468 0.071 13 0 "[ . 1 . 2]" 1
75 2 57 VAL HB 2 58 LEU H 2.922 . 3.989 4.112 4.090 4.141 0.152 1 0 "[ . 1 . 2]" 1
76 2 54 SER HB2 2 118 LYS QD 2.763 . 3.679 3.671 3.121 3.870 0.191 11 0 "[ . 1 . 2]" 1
77 2 47 PRO HB3 2 47 PRO QD 2.371 . 3.043 3.043 2.608 3.472 0.429 8 0 "[ . 1 . 2]" 1
78 2 47 PRO HA 2 47 PRO QG 2.446 . 3.194 2.928 2.040 3.065 . 0 0 "[ . 1 . 2]" 1
79 2 47 PRO QD 2 47 PRO QG 2.075 . 2.587 1.965 1.943 1.986 . 0 0 "[ . 1 . 2]" 1
80 2 47 PRO HA 2 47 PRO QD 2.756 . 3.667 3.265 3.005 3.490 . 0 0 "[ . 1 . 2]" 1
81 2 46 PRO HA 2 47 PRO QD 1.964 . 2.422 1.881 1.751 2.068 . 0 0 "[ . 1 . 2]" 1
82 2 33 ASP H 2 36 VAL MG2 2.721 . 3.646 3.810 3.774 3.838 0.192 10 0 "[ . 1 . 2]" 1
83 2 34 LEU HB3 2 37 ASN HB2 2.795 . 3.772 3.888 3.842 3.912 0.140 19 0 "[ . 1 . 2]" 1
84 2 34 LEU MD2 2 37 ASN HB3 2.424 . 3.158 3.003 2.930 3.053 . 0 0 "[ . 1 . 2]" 1
85 2 38 LEU MD1 2 39 VAL H 3.126 . 4.348 3.962 3.821 4.056 . 0 0 "[ . 1 . 2]" 1
86 2 86 VAL H 2 86 VAL HA 2.294 . 2.952 2.632 2.618 2.646 . 0 0 "[ . 1 . 2]" 1
87 2 79 LYS QB 2 80 PRO HA 2.838 . 3.844 3.551 3.514 3.603 . 0 0 "[ . 1 . 2]" 1
88 2 67 ILE H 2 67 ILE MG 2.455 . 3.208 3.291 3.227 3.333 0.125 1 0 "[ . 1 . 2]" 1
89 2 66 THR MG 2 67 ILE HB 2.943 . 4.026 3.981 3.793 4.148 0.122 13 0 "[ . 1 . 2]" 1
90 2 65 GLY HA2 2 98 MET QB 2.551 . 3.330 2.888 2.454 3.315 . 0 0 "[ . 1 . 2]" 1
91 2 98 MET QB 2 98 MET ME 2.759 . 3.673 2.998 1.901 3.655 . 0 0 "[ . 1 . 2]" 1
92 2 58 LEU HG 2 112 GLN QG 3.063 . 4.236 2.322 1.864 3.170 0.039 13 0 "[ . 1 . 2]" 1
93 2 58 LEU HB3 2 58 LEU MD1 1.877 . 2.317 2.092 2.080 2.105 . 0 0 "[ . 1 . 2]" 1
94 2 79 LYS HA 2 79 LYS QD 2.555 . 3.337 3.128 1.869 3.619 0.282 14 0 "[ . 1 . 2]" 1
95 2 64 ASP HA 2 64 ASP HB3 2.187 . 2.785 2.188 1.845 2.499 . 0 0 "[ . 1 . 2]" 1
96 2 24 GLY QA 2 25 SER H 2.211 . 2.822 2.408 2.057 2.890 0.068 15 0 "[ . 1 . 2]" 1
97 2 79 LYS QB 2 83 SER QB 2.893 . 3.939 3.332 3.272 3.408 . 0 0 "[ . 1 . 2]" 1
98 2 79 LYS HB3 2 83 SER QB 2.886 . 3.927 3.382 3.305 3.487 . 0 0 "[ . 1 . 2]" 1
99 2 86 VAL HA 2 89 VAL HB 2.653 . 3.533 3.805 3.750 3.856 0.323 2 0 "[ . 1 . 2]" 1
100 2 39 VAL HA 2 42 GLN HB3 2.657 . 3.540 3.482 3.261 3.565 0.025 20 0 "[ . 1 . 2]" 1
101 2 85 ALA H 2 85 ALA HA 2.292 . 2.949 2.790 2.778 2.803 . 0 0 "[ . 1 . 2]" 1
102 2 42 GLN HB3 2 91 ASN HB3 2.710 . 3.628 1.741 1.647 1.896 0.161 17 0 "[ . 1 . 2]" 1
103 2 42 GLN HA 2 91 ASN HB2 2.307 . 2.972 2.585 2.509 2.719 . 0 0 "[ . 1 . 2]" 1
104 2 38 LEU HA 2 42 GLN QG 2.975 . 4.081 3.673 3.633 3.723 . 0 0 "[ . 1 . 2]" 1
105 2 42 GLN HB2 2 92 VAL MG1 2.296 . 2.955 1.917 1.738 2.015 . 0 0 "[ . 1 . 2]" 1
106 2 46 PRO QB 2 46 PRO HD3 2.888 . 3.891 3.180 3.004 3.386 . 0 0 "[ . 1 . 2]" 1
107 2 98 MET HA 2 98 MET QB 2.330 . 2.979 2.331 2.223 2.399 . 0 0 "[ . 1 . 2]" 1
108 2 37 ASN HD21 2 41 GLN HG3 1.971 . 2.457 2.456 2.365 2.514 0.057 5 0 "[ . 1 . 2]" 1
109 2 41 GLN HA 2 41 GLN QG 2.053 . 2.554 2.638 2.608 2.664 0.110 7 0 "[ . 1 . 2]" 1
110 2 37 ASN HD22 2 41 GLN QG 2.531 . 3.299 3.346 3.260 3.391 0.092 20 0 "[ . 1 . 2]" 1
111 2 38 LEU MD2 2 41 GLN QG 2.604 . 3.417 3.453 3.391 3.506 0.089 10 0 "[ . 1 . 2]" 1
112 2 16 GLN HA 2 16 GLN QG 2.143 . 2.717 2.545 2.381 2.881 0.164 5 0 "[ . 1 . 2]" 1
113 2 20 ALA H 2 20 ALA HA 2.043 . 2.565 2.191 1.924 2.469 . 0 0 "[ . 1 . 2]" 1
114 2 30 SER HB2 2 34 LEU MD1 2.911 . 3.970 3.819 2.551 4.425 0.455 2 0 "[ . 1 . 2]" 1
115 2 39 VAL HA 2 41 GLN H 2.731 . 3.663 3.343 3.261 3.413 . 0 0 "[ . 1 . 2]" 1
116 2 59 ILE HB 2 70 ALA MB 2.299 . 2.960 2.578 1.988 3.120 0.160 1 0 "[ . 1 . 2]" 1
117 2 79 LYS QB 2 80 PRO HD3 2.125 . 2.663 2.500 2.352 2.694 0.031 7 0 "[ . 1 . 2]" 1
118 2 94 ARG QD 2 94 ARG QG 2.246 . 2.659 2.055 2.002 2.093 . 0 0 "[ . 1 . 2]" 1
119 2 54 SER HB3 2 118 LYS QD 2.825 . 3.784 3.028 2.239 3.827 0.043 4 0 "[ . 1 . 2]" 1
120 2 101 LEU HB2 2 102 PRO HD3 2.650 . 3.528 3.441 2.629 3.646 0.118 18 0 "[ . 1 . 2]" 1
121 2 61 MET ME 2 67 ILE H 2.957 . 4.050 4.261 4.172 4.312 0.262 15 0 "[ . 1 . 2]" 1
122 2 46 PRO QB 2 81 PHE HA 3.129 . 4.307 3.831 3.223 4.331 0.024 15 0 "[ . 1 . 2]" 1
123 2 44 ARG HA 2 44 ARG QB 2.301 . 2.934 2.375 2.322 2.470 . 0 0 "[ . 1 . 2]" 1
124 2 44 ARG QB 2 44 ARG HD3 2.455 . 3.176 2.359 2.191 2.624 . 0 0 "[ . 1 . 2]" 1
125 2 44 ARG QD 2 44 ARG HG2 2.281 . 2.902 2.303 2.160 2.381 . 0 0 "[ . 1 . 2]" 1
126 2 94 ARG H 2 94 ARG HG2 2.571 . 3.397 3.249 2.629 3.570 0.173 7 0 "[ . 1 . 2]" 1
127 2 42 GLN QG 2 92 VAL HA 2.642 . 3.515 2.137 2.049 2.199 . 0 0 "[ . 1 . 2]" 1
128 2 84 SER HG 2 85 ALA MB 2.753 . 3.701 2.658 2.602 2.715 . 0 0 "[ . 1 . 2]" 1
129 2 41 GLN H 2 41 GLN HB2 2.229 . 2.850 2.198 2.164 2.311 . 0 0 "[ . 1 . 2]" 1
130 2 120 GLU QG 2 121 ASP H 3.161 . 4.365 4.229 3.934 4.472 0.107 14 0 "[ . 1 . 2]" 1
131 2 114 ARG H 2 114 ARG QD 2.947 . 3.991 4.043 3.889 4.260 0.269 1 0 "[ . 1 . 2]" 1
132 2 106 PHE QD 2 107 ASP HB2 2.674 . 3.568 3.073 2.959 3.172 . 0 0 "[ . 1 . 2]" 1
133 2 102 PRO HG3 2 104 ALA MB 3.029 . 4.176 4.293 4.257 4.341 0.165 11 0 "[ . 1 . 2]" 1
134 2 45 ARG QB 2 122 LEU MD1 2.331 . 2.980 2.955 2.439 3.168 0.188 17 0 "[ . 1 . 2]" 1
135 2 38 LEU HB2 2 38 LEU MD1 2.001 . 2.501 1.961 1.954 1.969 . 0 0 "[ . 1 . 2]" 1
136 2 58 LEU H 2 58 LEU MD2 2.788 . 3.760 4.007 3.937 4.085 0.325 1 0 "[ . 1 . 2]" 1
137 2 105 THR MG 2 109 LEU QD 1.820 . 2.234 1.623 1.575 1.700 . 0 0 "[ . 1 . 2]" 1
138 2 53 MET HB2 2 53 MET QG 2.492 . 3.179 2.334 2.286 2.384 . 0 0 "[ . 1 . 2]" 1
139 2 103 ARG HA 2 103 ARG QD 2.559 . 3.378 1.894 1.744 2.109 0.013 12 0 "[ . 1 . 2]" 1
140 2 36 VAL HA 2 36 VAL QG 1.966 . 2.425 2.020 1.997 2.043 . 0 0 "[ . 1 . 2]" 1
141 2 41 GLN QG 2 42 GLN QE 3.061 . 4.188 4.010 3.842 4.110 . 0 0 "[ . 1 . 2]" 1
142 2 101 LEU QD 2 106 PHE QB 2.520 . 3.314 2.747 1.837 3.038 . 0 0 "[ . 1 . 2]" 1
143 2 105 THR HA 2 109 LEU HG 2.455 . 3.208 2.891 2.842 2.939 . 0 0 "[ . 1 . 2]" 1
144 2 13 THR HA 2 13 THR MG 1.813 . 2.224 1.966 1.939 2.006 . 0 0 "[ . 1 . 2]" 1
145 2 31 LEU HA 2 98 MET ME 2.912 . 3.972 3.668 3.505 3.882 . 0 0 "[ . 1 . 2]" 1
146 2 62 LEU HG 2 63 PRO HD2 2.615 . 3.470 3.154 1.747 3.473 0.030 15 0 "[ . 1 . 2]" 1
147 2 98 MET QB 2 98 MET HG3 2.381 . 3.059 2.163 2.141 2.234 . 0 0 "[ . 1 . 2]" 1
148 2 94 ARG QB 2 94 ARG HD3 2.274 . 2.892 2.333 2.053 2.590 . 0 0 "[ . 1 . 2]" 1
149 1 5 VAL MG2 1 6 ILE H 2.854 . 3.872 3.543 2.731 3.694 . 0 0 "[ . 1 . 2]" 1
150 1 4 LEU H 1 4 LEU QB 2.408 . 3.133 2.379 2.313 2.430 . 0 0 "[ . 1 . 2]" 1
151 2 44 ARG H 2 44 ARG QB 2.347 . 3.028 2.848 2.772 2.952 . 0 0 "[ . 1 . 2]" 1
152 2 44 ARG H 2 44 ARG QG 2.963 . 4.050 3.774 3.209 4.187 0.137 17 0 "[ . 1 . 2]" 1
153 2 83 SER QB 2 85 ALA H 3.112 . 4.312 4.253 4.210 4.306 . 0 0 "[ . 1 . 2]" 1
154 2 122 LEU QD 2 124 LEU H 2.993 . 4.102 3.899 3.095 4.138 0.036 3 0 "[ . 1 . 2]" 1
155 2 67 ILE H 2 67 ILE MG 2.415 . 3.144 3.186 2.859 3.392 0.248 6 0 "[ . 1 . 2]" 1
156 2 56 GLU H 2 72 VAL QG 2.724 . 3.651 3.001 2.877 3.500 . 0 0 "[ . 1 . 2]" 1
157 2 57 VAL MG1 2 58 LEU H 2.394 . 3.110 2.812 2.780 2.848 . 0 0 "[ . 1 . 2]" 1
158 2 55 VAL QG 2 117 PHE H 2.495 . 3.273 2.641 2.346 2.747 . 0 0 "[ . 1 . 2]" 1
159 2 56 GLU HB3 2 57 VAL H 2.691 . 3.596 2.980 2.740 3.308 . 0 0 "[ . 1 . 2]" 1
160 2 43 TRP HE1 2 44 ARG H 3.409 . 4.862 3.240 3.200 3.291 . 0 0 "[ . 1 . 2]" 1
161 2 57 VAL MG2 2 73 SER H 2.654 . 3.534 2.693 2.666 2.724 . 0 0 "[ . 1 . 2]" 1
162 2 113 ARG QB 2 114 ARG H 2.715 . 3.636 3.371 2.932 3.520 . 0 0 "[ . 1 . 2]" 1
163 2 48 SER HA 2 49 ALA H 2.334 . 3.015 2.701 2.681 2.733 . 0 0 "[ . 1 . 2]" 1
164 2 46 PRO QB 2 49 ALA H 2.948 . 4.024 3.195 2.986 3.346 . 0 0 "[ . 1 . 2]" 1
165 2 49 ALA H 2 50 ARG HB2 3.734 . 5.477 5.097 4.769 5.297 . 0 0 "[ . 1 . 2]" 1
166 2 45 ARG QB 2 49 ALA H 3.396 . 4.823 4.889 4.735 4.945 0.122 5 0 "[ . 1 . 2]" 1
167 2 49 ALA H 2 122 LEU QD 3.327 . 4.696 4.206 3.837 4.468 . 0 0 "[ . 1 . 2]" 1
168 2 50 ARG H 2 50 ARG HB2 2.323 . 2.998 2.179 1.825 2.564 . 0 0 "[ . 1 . 2]" 1
169 2 42 GLN HB2 2 92 VAL H 3.237 . 4.547 2.552 2.427 2.763 . 0 0 "[ . 1 . 2]" 1
170 2 90 ARG QB 2 92 VAL H 3.263 . 4.581 4.601 4.574 4.627 0.046 1 0 "[ . 1 . 2]" 1
171 2 52 GLY QA 2 53 MET H 2.386 . 3.098 2.492 2.421 2.586 . 0 0 "[ . 1 . 2]" 1
172 2 53 MET H 2 53 MET QG 2.342 . 3.020 2.804 2.374 3.124 0.104 10 0 "[ . 1 . 2]" 1
173 2 53 MET H 2 118 LYS QG 4.065 . 6.113 4.071 3.488 4.366 . 0 0 "[ . 1 . 2]" 1
174 2 31 LEU QD 2 101 LEU H 3.137 . 4.355 3.640 3.291 4.186 . 0 0 "[ . 1 . 2]" 1
175 2 83 SER QB 2 86 VAL H 2.858 . 3.879 4.095 4.052 4.187 0.308 6 0 "[ . 1 . 2]" 1
176 2 57 VAL QG 2 86 VAL H 3.025 . 4.158 3.555 3.454 3.655 . 0 0 "[ . 1 . 2]" 1
177 2 102 PRO QG 2 105 THR H 3.096 . 4.282 3.804 3.680 3.914 . 0 0 "[ . 1 . 2]" 1
178 2 105 THR H 2 106 PHE QB 2.800 . 3.770 3.698 3.639 3.737 . 0 0 "[ . 1 . 2]" 1
179 2 65 GLY H 2 98 MET QB 2.804 . 3.787 3.001 2.861 3.162 . 0 0 "[ . 1 . 2]" 1
180 2 79 LYS QB 2 83 SER H 3.010 . 4.132 4.176 4.136 4.203 0.071 3 0 "[ . 1 . 2]" 1
181 2 24 GLY H 2 24 GLY QA 2.061 . 2.585 2.310 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
182 2 23 VAL QG 2 24 GLY H 2.459 . 3.207 1.783 1.651 2.763 0.052 3 0 "[ . 1 . 2]" 1
183 2 50 ARG HB2 2 51 ASN H 3.049 . 4.211 3.358 3.105 4.060 . 0 0 "[ . 1 . 2]" 1
184 2 114 ARG QB 2 115 ILE H 2.474 . 3.239 3.191 2.707 3.378 0.139 20 0 "[ . 1 . 2]" 1
185 2 57 VAL MG1 2 115 ILE H 2.826 . 3.825 3.293 3.209 3.372 . 0 0 "[ . 1 . 2]" 1
186 2 80 PRO HD3 2 81 PHE H 2.692 . 3.598 2.734 2.725 2.746 . 0 0 "[ . 1 . 2]" 1
187 2 72 VAL H 2 72 VAL QG 2.257 . 2.657 2.622 2.537 2.656 . 0 0 "[ . 1 . 2]" 1
188 2 58 LEU HB3 2 59 ILE H 2.749 . 3.694 3.483 3.162 3.670 . 0 0 "[ . 1 . 2]" 1
189 2 58 LEU MD1 2 59 ILE H 2.294 . 2.952 2.062 1.875 2.209 . 0 0 "[ . 1 . 2]" 1
190 2 74 ARG H 2 74 ARG QB 2.588 . 3.415 2.768 2.712 2.834 . 0 0 "[ . 1 . 2]" 1
191 2 61 MET HA 2 69 ASN H 3.030 . 4.178 3.299 2.915 3.566 . 0 0 "[ . 1 . 2]" 1
192 2 59 ILE HA 2 69 ASN H 3.228 . 4.530 4.366 4.326 4.438 . 0 0 "[ . 1 . 2]" 1
193 2 68 THR MG 2 69 ASN H 2.635 . 3.503 3.618 3.583 3.658 0.155 5 0 "[ . 1 . 2]" 1
194 2 34 LEU MD2 2 35 ILE H 2.514 . 3.304 3.440 3.403 3.485 0.181 20 0 "[ . 1 . 2]" 1
195 2 60 GLU HB3 2 68 THR H 3.138 . 4.369 3.670 3.548 3.769 . 0 0 "[ . 1 . 2]" 1
196 2 60 GLU HB2 2 68 THR H 2.828 . 3.828 3.830 3.712 3.916 0.088 14 0 "[ . 1 . 2]" 1
197 2 94 ARG QG 2 95 ILE H 2.867 . 3.884 3.977 3.836 4.093 0.209 20 0 "[ . 1 . 2]" 1
198 2 19 LEU HA 2 20 ALA H 1.972 . 2.458 2.221 2.058 2.748 0.290 12 0 "[ . 1 . 2]" 1
199 2 19 LEU QD 2 20 ALA H 3.033 . 4.171 2.955 2.303 4.086 . 0 0 "[ . 1 . 2]" 1
200 2 17 GLN QG 2 18 ALA H 4.104 . 6.191 4.144 3.363 4.720 . 0 0 "[ . 1 . 2]" 1
201 2 17 GLN QB 2 18 ALA H 2.948 . 4.035 3.619 1.867 4.012 0.038 9 0 "[ . 1 . 2]" 1
202 2 13 THR HA 2 14 GLU H 2.141 . 2.714 2.436 2.077 2.793 0.079 17 0 "[ . 1 . 2]" 1
203 2 14 GLU H 2 14 GLU QG 2.937 . 4.005 3.402 2.055 4.195 0.190 10 0 "[ . 1 . 2]" 1
204 2 24 GLY QA 2 26 GLU H 3.299 . 4.647 4.148 3.363 4.690 0.043 10 0 "[ . 1 . 2]" 1
205 2 25 SER QB 2 26 GLU H 2.932 . 3.996 3.521 2.052 4.039 0.043 14 0 "[ . 1 . 2]" 1
206 2 86 VAL QG 2 87 ALA H 2.298 . 2.950 3.003 2.995 3.013 0.063 3 0 "[ . 1 . 2]" 1
207 2 7 GLU H 2 7 GLU QB 2.352 . 3.044 2.365 1.775 3.179 0.135 5 0 "[ . 1 . 2]" 1
208 2 83 SER HA 2 84 SER H 2.545 . 3.355 3.212 3.200 3.223 . 0 0 "[ . 1 . 2]" 1
209 2 83 SER QB 2 84 SER H 2.412 . 3.139 2.536 2.454 2.596 . 0 0 "[ . 1 . 2]" 1
210 2 46 PRO HB3 2 84 SER H 3.687 . 5.386 5.001 4.787 5.183 . 0 0 "[ . 1 . 2]" 1
211 2 38 LEU HB2 2 39 VAL H 2.367 . 3.067 2.057 2.018 2.115 . 0 0 "[ . 1 . 2]" 1
212 2 38 LEU H 2 38 LEU QD 2.190 . 2.783 2.855 2.846 2.866 0.083 16 0 "[ . 1 . 2]" 1
213 2 103 ARG HA 2 104 ALA H 2.241 . 2.869 2.707 2.681 2.753 . 0 0 "[ . 1 . 2]" 1
214 2 102 PRO HB2 2 104 ALA H 2.547 . 3.358 2.714 2.317 3.110 . 0 0 "[ . 1 . 2]" 1
215 2 118 LYS H 2 118 LYS QD 3.708 . 5.411 4.867 4.668 5.094 . 0 0 "[ . 1 . 2]" 1
216 2 81 PHE HB3 2 82 ASP H 2.459 . 3.215 2.163 1.961 2.335 . 0 0 "[ . 1 . 2]" 1
217 2 22 GLU QG 2 23 VAL H 3.170 . 4.415 4.156 3.366 4.433 0.018 8 0 "[ . 1 . 2]" 1
218 2 22 GLU H 2 22 GLU QG 2.582 . 3.407 2.123 1.744 2.955 0.005 13 0 "[ . 1 . 2]" 1
219 2 112 GLN QG 2 113 ARG H 2.861 . 3.874 3.866 3.740 3.959 0.085 19 0 "[ . 1 . 2]" 1
220 2 10 SER QB 2 11 ASP H 3.181 . 4.435 3.279 1.910 4.010 0.006 16 0 "[ . 1 . 2]" 1
221 2 11 ASP H 2 11 ASP QB 2.708 . 3.615 2.563 2.237 2.999 . 0 0 "[ . 1 . 2]" 1
222 2 10 SER QB 2 12 THR H 3.180 . 4.432 3.946 2.655 4.483 0.051 12 0 "[ . 1 . 2]" 1
223 2 11 ASP QB 2 12 THR H 3.201 . 4.469 3.348 1.909 4.034 0.011 9 0 "[ . 1 . 2]" 1
224 2 70 ALA MB 2 90 ARG H 2.675 . 3.569 3.230 3.146 3.273 . 0 0 "[ . 1 . 2]" 1
225 2 42 GLN HB2 2 91 ASN H 3.150 . 4.390 3.650 3.550 3.783 . 0 0 "[ . 1 . 2]" 1
226 2 42 GLN HB3 2 91 ASN H 3.026 . 4.171 3.370 3.310 3.454 . 0 0 "[ . 1 . 2]" 1
227 2 90 ARG QB 2 91 ASN H 2.422 . 3.147 2.668 2.578 2.859 . 0 0 "[ . 1 . 2]" 1
228 2 25 SER H 2 25 SER QB 2.506 . 3.283 2.725 2.274 3.302 0.019 6 0 "[ . 1 . 2]" 1
229 2 29 GLY HA3 2 30 SER H 2.867 . 3.894 2.480 2.010 3.313 . 0 0 "[ . 1 . 2]" 1
230 2 14 GLU HA 2 15 ARG H 2.120 . 2.682 2.405 1.956 2.754 0.072 12 0 "[ . 1 . 2]" 1
231 2 15 ARG H 2 15 ARG QB 2.301 . 2.955 2.425 2.143 3.072 0.117 17 0 "[ . 1 . 2]" 1
232 2 15 ARG H 2 15 ARG QG 2.802 . 3.773 3.424 2.254 3.987 0.214 14 0 "[ . 1 . 2]" 1
233 2 15 ARG QB 2 16 GLN H 2.911 . 3.960 3.468 2.421 4.024 0.064 15 0 "[ . 1 . 2]" 1
234 2 15 ARG QG 2 16 GLN H 3.499 . 5.015 4.351 3.588 4.982 . 0 0 "[ . 1 . 2]" 1
235 2 16 GLN HB2 2 17 GLN H 2.316 . 2.986 2.620 2.047 3.328 0.342 6 0 "[ . 1 . 2]" 1
236 2 16 GLN HG3 2 17 GLN H 2.709 . 3.627 2.950 1.766 3.847 0.220 15 0 "[ . 1 . 2]" 1
237 2 32 ASP HA 2 33 ASP H 2.247 . 2.878 2.677 2.646 2.728 . 0 0 "[ . 1 . 2]" 1
238 2 40 SER HB2 2 43 TRP H 2.936 . 4.013 3.762 3.708 3.941 . 0 0 "[ . 1 . 2]" 1
239 2 48 SER H 2 48 SER HA 2.433 . 3.173 2.777 2.764 2.805 . 0 0 "[ . 1 . 2]" 1
240 2 47 PRO HD3 2 48 SER H 2.588 . 3.426 2.748 2.644 2.853 . 0 0 "[ . 1 . 2]" 1
241 2 46 PRO QB 2 48 SER H 2.479 . 3.247 2.111 1.986 2.193 . 0 0 "[ . 1 . 2]" 1
242 2 47 PRO QG 2 48 SER H 2.749 . 3.684 3.244 2.701 3.753 0.069 13 0 "[ . 1 . 2]" 1
243 2 47 PRO HB2 2 48 SER H 2.633 . 3.500 2.926 2.616 3.199 . 0 0 "[ . 1 . 2]" 1
244 2 60 GLU H 2 60 GLU HB3 2.632 . 3.498 3.485 3.442 3.530 0.032 9 0 "[ . 1 . 2]" 1
245 2 86 VAL QG 2 88 ALA H 2.845 . 3.846 4.127 4.114 4.145 0.299 6 0 "[ . 1 . 2]" 1
246 2 89 VAL H 2 90 ARG HB2 3.056 . 4.223 4.368 4.349 4.397 0.174 3 0 "[ . 1 . 2]" 1
247 2 66 THR HA 2 94 ARG H 2.909 . 3.967 3.565 3.506 3.642 . 0 0 "[ . 1 . 2]" 1
248 2 94 ARG H 2 94 ARG QG 2.656 . 3.528 3.369 2.657 3.649 0.121 7 0 "[ . 1 . 2]" 1
249 2 99 GLN H 2 99 GLN QG 2.450 . 3.200 1.959 1.731 2.234 . 0 0 "[ . 1 . 2]" 1
250 2 99 GLN HB2 2 100 GLN H 2.255 . 2.891 2.609 2.310 2.893 0.002 5 0 "[ . 1 . 2]" 1
251 2 100 GLN H 2 101 LEU HB2 2.742 . 3.682 3.570 3.444 3.682 . 0 0 "[ . 1 . 2]" 1
252 2 31 LEU QD 2 100 GLN H 3.434 . 4.895 3.942 3.732 4.262 . 0 0 "[ . 1 . 2]" 1
253 2 105 THR HA 2 106 PHE H 2.694 . 3.601 2.668 2.651 2.680 . 0 0 "[ . 1 . 2]" 1
254 2 106 PHE QB 2 108 SER H 3.196 . 4.460 4.491 4.415 4.548 0.088 15 0 "[ . 1 . 2]" 1
255 2 112 GLN H 2 112 GLN QG 2.595 . 3.427 3.422 3.253 3.519 0.092 15 0 "[ . 1 . 2]" 1
256 2 107 ASP H 2 108 SER QB 3.193 . 4.455 4.237 4.113 4.310 . 0 0 "[ . 1 . 2]" 1
257 2 106 PHE QD 2 107 ASP H 2.554 . 3.370 2.363 2.289 2.427 . 0 0 "[ . 1 . 2]" 1
258 2 58 LEU QD 2 112 GLN HE22 2.915 . 3.966 3.637 3.359 3.814 . 0 0 "[ . 1 . 2]" 1
259 2 58 LEU QD 2 112 GLN HE21 2.927 . 3.988 3.815 3.714 3.916 . 0 0 "[ . 1 . 2]" 1
260 2 4 ALA HA 2 5 LEU H 2.170 . 2.759 2.363 2.083 2.771 0.012 7 0 "[ . 1 . 2]" 1
261 2 8 LEU H 2 8 LEU QB 2.126 . 2.691 2.490 2.279 2.849 0.158 16 0 "[ . 1 . 2]" 1
262 2 8 LEU H 2 8 LEU QD 2.895 . 3.932 3.001 1.820 3.940 0.027 6 0 "[ . 1 . 2]" 1
263 2 10 SER H 2 10 SER QB 2.668 . 3.548 2.653 2.240 3.342 . 0 0 "[ . 1 . 2]" 1
264 2 40 SER H 2 41 GLN QB 3.145 . 4.369 4.384 4.359 4.410 0.041 18 0 "[ . 1 . 2]" 1
265 2 94 ARG H 2 94 ARG QB 2.300 . 2.953 2.957 2.267 3.132 0.179 14 0 "[ . 1 . 2]" 1
266 2 116 ILE H 2 116 ILE MD 2.476 . 3.242 3.346 3.322 3.384 0.142 7 0 "[ . 1 . 2]" 1
267 2 46 PRO HG3 2 82 ASP H 3.280 . 4.625 4.529 4.374 4.639 0.014 3 0 "[ . 1 . 2]" 1
268 2 60 GLU HG3 2 69 ASN H 3.247 . 4.565 4.660 4.630 4.722 0.157 15 0 "[ . 1 . 2]" 1
269 2 39 VAL MG2 2 117 PHE QD 2.388 . 3.101 2.815 2.002 2.977 . 0 0 "[ . 1 . 2]" 1
270 2 31 LEU MD1 2 110 TYR QE 2.174 . 2.765 1.988 1.854 2.178 . 0 0 "[ . 1 . 2]" 1
271 1 10 ASN H 2 41 GLN H 4.186 . 6.376 5.100 4.199 6.139 . 0 0 "[ . 1 . 2]" 1
272 1 10 ASN H 2 40 SER HB2 3.518 . 5.065 3.749 2.567 4.939 . 0 0 "[ . 1 . 2]" 1
273 2 114 ARG QB 2 115 ILE H 2.503 . 3.286 3.117 2.682 3.277 . 0 0 "[ . 1 . 2]" 1
274 2 115 ILE HG12 2 116 ILE H 2.505 . 3.289 3.269 3.250 3.305 0.016 7 0 "[ . 1 . 2]" 1
275 1 4 LEU HB2 2 116 ILE H 2.801 . 3.782 3.514 3.366 4.150 0.368 18 0 "[ . 1 . 2]" 1
276 1 5 VAL MG1 2 118 LYS H 2.690 . 3.594 2.936 2.753 3.348 . 0 0 "[ . 1 . 2]" 1
277 1 1 ALA HA 2 109 LEU QD 1.934 . 2.402 2.030 1.891 2.189 . 0 0 "[ . 1 . 2]" 1
278 1 3 PRO HB2 2 114 ARG HB2 2.787 . 3.758 2.227 1.923 3.759 0.001 13 0 "[ . 1 . 2]" 1
279 1 5 VAL MG1 2 118 LYS HB3 2.457 . 3.212 1.938 1.770 2.557 . 0 0 "[ . 1 . 2]" 1
280 1 1 ALA MB 2 109 LEU QD 1.819 . 2.233 1.775 1.648 1.841 . 0 0 "[ . 1 . 2]" 1
281 1 6 ILE MD 2 39 VAL HB 2.450 . 3.200 3.172 3.114 3.220 0.020 14 0 "[ . 1 . 2]" 1
282 1 6 ILE HB 2 115 ILE MG 2.236 . 2.861 2.628 2.577 2.770 . 0 0 "[ . 1 . 2]" 1
283 1 1 ALA MB 2 109 LEU HA 2.353 . 3.045 2.345 1.901 2.786 . 0 0 "[ . 1 . 2]" 1
284 1 3 PRO QG 2 114 ARG QD 2.634 . 3.488 3.046 2.133 3.428 . 0 0 "[ . 1 . 2]" 1
285 1 3 PRO HA 2 114 ARG QB 2.762 . 3.716 2.717 2.443 3.944 0.228 13 0 "[ . 1 . 2]" 1
286 2 55 VAL QG 2 117 PHE HB3 2.586 . 3.404 3.279 3.027 3.405 0.001 18 0 "[ . 1 . 2]" 1
287 2 54 SER HB3 2 116 ILE MG 2.504 . 3.270 3.274 3.034 3.349 0.079 12 0 "[ . 1 . 2]" 1
288 2 102 PRO HD2 2 105 THR HB 2.402 . 3.107 1.792 1.715 1.853 . 0 0 "[ . 1 . 2]" 1
289 2 101 LEU HA 2 102 PRO HD2 2.254 . 2.875 2.459 2.360 2.695 . 0 0 "[ . 1 . 2]" 1
290 2 101 LEU HA 2 101 LEU QD 2.038 . 2.544 2.090 1.851 2.913 0.369 11 0 "[ . 1 . 2]" 1
291 2 101 LEU HA 2 101 LEU HB3 2.631 . 3.478 2.456 2.431 2.488 . 0 0 "[ . 1 . 2]" 1
292 2 101 LEU HA 2 101 LEU HB2 2.562 . 3.366 2.871 2.242 2.994 . 0 0 "[ . 1 . 2]" 1
293 2 101 LEU HB2 2 101 LEU QD 2.346 . 3.018 2.146 1.929 2.230 . 0 0 "[ . 1 . 2]" 1
294 2 101 LEU HB3 2 101 LEU QD 2.491 . 3.194 2.012 1.960 2.225 . 0 0 "[ . 1 . 2]" 1
295 2 95 ILE QG 2 96 PRO QD 2.351 . 3.026 3.009 2.892 3.058 0.032 10 0 "[ . 1 . 2]" 1
296 2 101 LEU QD 2 102 PRO HD2 2.565 . 3.387 1.860 1.774 2.180 . 0 0 "[ . 1 . 2]" 1
297 2 101 LEU HB3 2 105 THR HB 2.867 . 3.874 2.498 2.172 4.255 0.381 5 0 "[ . 1 . 2]" 1
298 2 101 LEU HB2 2 105 THR HB 2.695 . 3.585 3.626 2.601 3.817 0.232 20 0 "[ . 1 . 2]" 1
299 2 101 LEU QD 2 106 PHE HB2 2.418 . 3.131 2.816 1.871 3.123 . 0 0 "[ . 1 . 2]" 1
300 2 110 TYR HA 2 110 TYR HB3 2.656 . 3.519 2.440 2.399 2.470 . 0 0 "[ . 1 . 2]" 1
301 2 106 PHE HA 2 106 PHE HB2 2.800 . 3.760 2.331 2.307 2.350 . 0 0 "[ . 1 . 2]" 1
302 2 106 PHE HA 2 106 PHE HB3 2.699 . 3.591 2.988 2.972 3.000 . 0 0 "[ . 1 . 2]" 1
303 2 109 LEU HB3 2 109 LEU HG 2.498 . 3.262 2.961 2.954 2.970 . 0 0 "[ . 1 . 2]" 1
304 2 109 LEU HB3 2 109 LEU QD 2.369 . 3.055 2.121 2.106 2.158 . 0 0 "[ . 1 . 2]" 1
305 2 109 LEU HB2 2 109 LEU HG 2.372 . 3.059 2.510 2.428 2.561 . 0 0 "[ . 1 . 2]" 1
306 2 109 LEU HB2 2 109 LEU QD . . 2.535 2.115 2.046 2.178 . 0 0 "[ . 1 . 2]" 1
307 2 105 THR MG 2 109 LEU QD 1.925 . 2.376 1.794 1.707 1.962 0.072 20 0 "[ . 1 . 2]" 1
308 2 109 LEU MD1 2 109 LEU MD2 1.713 . 2.070 2.044 1.993 2.071 0.001 17 0 "[ . 1 . 2]" 1
309 2 109 LEU QD 2 109 LEU HG 1.735 . 2.111 1.855 1.843 1.863 . 0 0 "[ . 1 . 2]" 1
310 2 101 LEU QD 2 105 THR HB 2.628 . 3.120 2.390 1.913 2.502 . 0 0 "[ . 1 . 2]" 1
311 2 109 LEU HA 2 109 LEU QD 1.899 . 2.350 2.223 1.981 2.396 0.046 6 0 "[ . 1 . 2]" 1
312 2 110 TYR HA 2 110 TYR HB2 2.817 . 3.789 3.005 2.991 3.016 . 0 0 "[ . 1 . 2]" 1
313 2 107 ASP HA 2 111 ARG HA 2.897 . 3.925 3.841 3.376 4.003 0.078 16 0 "[ . 1 . 2]" 1
314 2 111 ARG HA 2 111 ARG HB3 2.613 . 3.450 2.904 2.689 2.994 . 0 0 "[ . 1 . 2]" 1
315 2 111 ARG HA 2 111 ARG HB2 2.905 . 3.939 2.316 2.238 2.690 . 0 0 "[ . 1 . 2]" 1
316 2 111 ARG HA 2 111 ARG HG3 2.641 . 3.495 3.418 3.196 3.622 0.127 2 0 "[ . 1 . 2]" 1
317 2 111 ARG HA 2 111 ARG HG2 2.637 . 3.488 3.060 2.349 3.709 0.221 15 0 "[ . 1 . 2]" 1
318 2 111 ARG HB3 2 111 ARG HD3 2.696 . 3.586 2.528 2.348 2.907 . 0 0 "[ . 1 . 2]" 1
319 2 111 ARG HB3 2 111 ARG HD2 2.765 . 3.700 2.436 2.150 2.797 . 0 0 "[ . 1 . 2]" 1
320 2 111 ARG HB2 2 111 ARG HD2 2.968 . 4.048 2.949 2.226 3.462 . 0 0 "[ . 1 . 2]" 1
321 2 111 ARG HD3 2 111 ARG HG3 2.369 . 3.055 2.980 2.924 3.000 . 0 0 "[ . 1 . 2]" 1
322 2 111 ARG HD3 2 111 ARG HG2 2.415 . 3.128 2.368 2.289 2.437 . 0 0 "[ . 1 . 2]" 1
323 2 111 ARG HD2 2 111 ARG HG3 2.410 . 3.120 2.463 2.359 2.549 . 0 0 "[ . 1 . 2]" 1
324 2 107 ASP HA 2 111 ARG HB3 2.481 . 3.234 2.205 1.735 3.113 . 0 0 "[ . 1 . 2]" 1
325 2 107 ASP HA 2 111 ARG HB2 2.767 . 3.704 1.960 1.721 2.409 0.089 13 0 "[ . 1 . 2]" 1
326 2 107 ASP HA 2 111 ARG HG3 2.771 . 3.711 3.359 2.060 4.298 0.587 12 3 "[ . -1 + * 2]" 1
327 2 107 ASP HA 2 111 ARG HG2 3.083 . 4.248 3.836 1.952 4.317 0.069 1 0 "[ . 1 . 2]" 1
328 2 107 ASP HA 2 111 ARG HD3 2.832 . 3.814 3.800 2.925 4.066 0.252 17 0 "[ . 1 . 2]" 1
329 2 108 SER HB3 2 109 LEU HG 2.508 . 3.276 1.668 1.646 1.689 0.076 20 0 "[ . 1 . 2]" 1
330 2 112 GLN HA 2 112 GLN HB3 2.319 . 2.976 2.634 2.574 2.693 . 0 0 "[ . 1 . 2]" 1
331 2 112 GLN HA 2 112 GLN HB2 2.279 . 2.913 2.960 2.941 2.974 0.061 18 0 "[ . 1 . 2]" 1
332 2 58 LEU MD1 2 112 GLN HB2 2.291 . 2.933 3.045 2.977 3.126 0.193 10 0 "[ . 1 . 2]" 1
333 2 58 LEU MD1 2 112 GLN HB3 2.396 . 3.097 1.696 1.654 1.739 0.025 19 0 "[ . 1 . 2]" 1
334 2 113 ARG HA 2 113 ARG QB 2.961 . 3.993 2.401 2.180 2.534 . 0 0 "[ . 1 . 2]" 1
335 2 113 ARG HA 2 113 ARG QG 2.860 . 3.862 2.955 2.360 3.263 . 0 0 "[ . 1 . 2]" 1
336 2 113 ARG HA 2 113 ARG HD3 2.533 . 3.317 2.716 2.145 3.141 . 0 0 "[ . 1 . 2]" 1
337 2 113 ARG HA 2 113 ARG HD2 2.489 . 3.247 2.461 1.838 3.578 0.331 10 0 "[ . 1 . 2]" 1
338 2 28 THR HB 2 28 THR MG 1.921 . 2.371 2.118 2.099 2.138 . 0 0 "[ . 1 . 2]" 1
339 2 28 THR HA 2 31 LEU MD1 2.597 . 3.422 3.441 3.202 3.541 0.119 3 0 "[ . 1 . 2]" 1
340 2 28 THR HA 2 109 LEU QD . . 2.685 2.341 2.097 2.645 . 0 0 "[ . 1 . 2]" 1
341 2 28 THR HA 2 31 LEU HB2 2.501 . 3.266 3.481 3.315 3.573 0.307 14 0 "[ . 1 . 2]" 1
342 2 28 THR MG 2 109 LEU QD 2.320 . 2.993 2.039 1.652 2.993 0.013 8 0 "[ . 1 . 2]" 1
343 2 28 THR HB 2 109 LEU QD 2.923 . 3.970 3.362 2.035 3.701 . 0 0 "[ . 1 . 2]" 1
344 2 58 LEU HA 2 58 LEU HB2 2.489 . 3.246 2.489 2.413 2.613 . 0 0 "[ . 1 . 2]" 1
345 2 58 LEU HA 2 58 LEU HB3 2.484 . 3.238 2.957 2.928 2.978 . 0 0 "[ . 1 . 2]" 1
346 2 58 LEU HA 2 58 LEU MD2 2.439 . 3.166 3.510 3.426 3.590 0.424 15 0 "[ . 1 . 2]" 1
347 2 58 LEU HA 2 58 LEU HG 2.541 . 3.330 3.103 2.916 3.203 . 0 0 "[ . 1 . 2]" 1
348 2 58 LEU HB2 2 58 LEU HG 2.134 . 2.689 2.966 2.902 2.996 0.307 13 0 "[ . 1 . 2]" 1
349 2 58 LEU MD2 2 58 LEU HG 1.915 . 2.362 2.104 2.094 2.111 . 0 0 "[ . 1 . 2]" 1
350 2 58 LEU HB2 2 58 LEU MD2 2.048 . 2.559 2.153 2.100 2.239 . 0 0 "[ . 1 . 2]" 1
351 2 114 ARG HA 2 114 ARG HD2 2.670 . 3.543 3.807 3.664 4.460 0.917 13 2 "[ . 1 + . - 2]" 1
352 2 114 ARG HA 2 114 ARG HB3 2.644 . 3.500 2.367 2.222 2.411 . 0 0 "[ . 1 . 2]" 1
353 2 114 ARG HB3 2 114 ARG HD2 2.398 . 3.101 2.138 1.960 3.071 . 0 0 "[ . 1 . 2]" 1
354 2 115 ILE HB 2 115 ILE MG 2.390 . 3.088 2.110 2.102 2.116 . 0 0 "[ . 1 . 2]" 1
355 2 57 VAL HB 2 115 ILE HB 2.704 . 3.599 2.631 2.510 2.750 . 0 0 "[ . 1 . 2]" 1
356 2 115 ILE HA 2 115 ILE HG12 2.801 . 3.763 2.796 2.697 2.863 . 0 0 "[ . 1 . 2]" 1
357 2 115 ILE HA 2 115 ILE MG 2.214 . 2.813 2.509 2.478 2.575 . 0 0 "[ . 1 . 2]" 1
358 2 57 VAL HB 2 115 ILE MG 2.548 . 3.343 3.453 3.425 3.481 0.138 13 0 "[ . 1 . 2]" 1
359 2 39 VAL HB 2 115 ILE MD 2.794 . 3.770 3.055 2.679 3.335 . 0 0 "[ . 1 . 2]" 1
360 2 115 ILE MD 2 115 ILE HG13 2.121 . 2.670 2.115 2.105 2.124 . 0 0 "[ . 1 . 2]" 1
361 2 115 ILE HG13 2 115 ILE MG 2.281 . 2.916 3.075 3.031 3.105 0.189 14 0 "[ . 1 . 2]" 1
362 2 115 ILE HA 2 115 ILE MD 2.714 . 3.615 3.753 3.651 3.789 0.174 14 0 "[ . 1 . 2]" 1
363 2 115 ILE HB 2 115 ILE HG13 2.414 . 3.127 2.648 2.597 2.689 . 0 0 "[ . 1 . 2]" 1
364 2 115 ILE HA 2 115 ILE HB 2.217 . 2.831 2.979 2.968 2.984 0.153 19 0 "[ . 1 . 2]" 1
365 2 59 ILE HB 2 115 ILE MD 2.701 . 3.594 3.791 3.716 3.876 0.282 13 0 "[ . 1 . 2]" 1
366 2 115 ILE HB 2 117 PHE HZ 2.852 . 3.848 3.702 3.511 3.855 0.007 19 0 "[ . 1 . 2]" 1
367 2 115 ILE MG 2 117 PHE HZ 2.694 . 3.581 2.625 2.580 2.722 . 0 0 "[ . 1 . 2]" 1
368 2 115 ILE MD 2 117 PHE HZ 3.218 . 4.489 3.370 3.170 3.505 . 0 0 "[ . 1 . 2]" 1
369 2 115 ILE MG 2 117 PHE QE 3.073 . 4.231 2.598 2.467 2.685 . 0 0 "[ . 1 . 2]" 1
370 2 116 ILE HA 2 116 ILE MD 2.571 . 3.381 2.206 2.079 3.551 0.170 18 0 "[ . 1 . 2]" 1
371 2 56 GLU QG 2 116 ILE HG13 2.716 . 3.620 3.072 2.004 3.346 . 0 0 "[ . 1 . 2]" 1
372 2 117 PHE HA 2 117 PHE HB2 2.826 . 3.804 3.026 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
373 2 117 PHE HA 2 117 PHE HB3 2.885 . 3.905 2.482 2.457 2.496 . 0 0 "[ . 1 . 2]" 1
374 2 55 VAL QG 2 117 PHE HB2 2.547 . 3.340 2.120 1.742 2.275 . 0 0 "[ . 1 . 2]" 1
375 2 118 LYS HA 2 118 LYS HE2 3.190 . 4.439 4.493 3.902 5.131 0.692 1 3 "[+ * . - 1 . 2]" 1
376 2 54 SER HA 2 118 LYS HA 2.978 . 4.066 2.679 2.543 2.950 . 0 0 "[ . 1 . 2]" 1
377 2 118 LYS HA 2 118 LYS HB3 2.847 . 3.840 2.969 2.815 3.004 . 0 0 "[ . 1 . 2]" 1
378 2 118 LYS HA 2 118 LYS QG 2.876 . 3.884 2.335 2.108 2.442 . 0 0 "[ . 1 . 2]" 1
379 2 118 LYS HB3 2 118 LYS QG 2.604 . 3.433 2.297 2.213 2.425 . 0 0 "[ . 1 . 2]" 1
380 2 52 GLY QA 2 118 LYS HE2 2.781 . 3.704 3.287 2.456 4.619 0.915 7 3 "[ - + 1 . * 2]" 1
381 2 118 LYS HB2 2 118 LYS HE2 2.600 . 3.427 3.612 3.141 4.395 0.968 3 3 "[* + . 1 - 2]" 1
382 2 124 LEU QB 2 124 LEU QD 1.745 . 2.126 1.990 1.894 2.039 . 0 0 "[ . 1 . 2]" 1
383 2 123 SER QB 2 124 LEU QB 2.497 . 3.260 3.277 3.177 3.314 0.054 5 0 "[ . 1 . 2]" 1
384 2 123 SER QB 2 124 LEU QD 2.532 . 3.317 2.274 1.744 3.329 0.046 7 0 "[ . 1 . 2]" 1
385 2 122 LEU HA 2 122 LEU HB3 2.465 . 3.207 2.673 2.532 2.808 . 0 0 "[ . 1 . 2]" 1
386 2 122 LEU HA 2 122 LEU MD1 1.920 . 2.369 1.877 1.768 2.062 . 0 0 "[ . 1 . 2]" 1
387 2 122 LEU HB3 2 122 LEU MD1 1.843 . 2.256 2.409 2.357 2.496 0.240 4 0 "[ . 1 . 2]" 1
388 2 11 ASP HA 2 11 ASP HB3 2.266 . 2.894 2.821 2.458 3.031 0.137 11 0 "[ . 1 . 2]" 1
389 2 120 GLU HA 2 120 GLU HB2 2.363 . 3.045 2.858 2.401 3.012 . 0 0 "[ . 1 . 2]" 1
390 2 120 GLU HA 2 120 GLU HB3 2.343 . 3.013 2.514 2.308 2.664 . 0 0 "[ . 1 . 2]" 1
391 2 61 MET HA 2 61 MET HB3 2.555 . 3.353 2.562 2.523 2.617 . 0 0 "[ . 1 . 2]" 1
392 2 61 MET HA 2 61 MET HB2 2.777 . 3.722 2.995 2.964 3.018 . 0 0 "[ . 1 . 2]" 1
393 2 61 MET HA 2 62 LEU QB 2.625 . 3.487 3.643 3.555 3.705 0.218 17 0 "[ . 1 . 2]" 1
394 2 61 MET HA 2 68 THR MG 2.654 . 3.516 2.235 2.093 2.472 . 0 0 "[ . 1 . 2]" 1
395 2 61 MET HB2 2 61 MET HG2 2.693 . 3.581 2.972 2.942 2.996 . 0 0 "[ . 1 . 2]" 1
396 2 61 MET HB2 2 61 MET HG3 2.542 . 3.332 2.604 2.497 2.675 . 0 0 "[ . 1 . 2]" 1
397 2 61 MET HB3 2 61 MET HG2 2.587 . 3.406 2.307 2.268 2.382 . 0 0 "[ . 1 . 2]" 1
398 2 61 MET HB3 2 61 MET HG3 2.531 . 3.314 2.940 2.900 2.983 . 0 0 "[ . 1 . 2]" 1
399 2 61 MET HG2 2 67 ILE HA 2.389 . 3.087 1.954 1.793 2.103 . 0 0 "[ . 1 . 2]" 1
400 2 61 MET HA 2 61 MET HG2 2.544 . 3.337 2.746 2.508 2.904 . 0 0 "[ . 1 . 2]" 1
401 2 61 MET HG3 2 67 ILE HA 2.578 . 3.391 2.028 1.916 2.305 . 0 0 "[ . 1 . 2]" 1
402 2 61 MET HB3 2 67 ILE HA 2.800 . 3.761 3.667 3.526 3.804 0.043 2 0 "[ . 1 . 2]" 1
403 2 61 MET HA 2 67 ILE HA 2.214 . 2.813 2.415 2.268 2.620 . 0 0 "[ . 1 . 2]" 1
404 2 61 MET HB2 2 67 ILE HA 2.997 . 4.099 4.159 4.108 4.218 0.119 16 0 "[ . 1 . 2]" 1
405 2 67 ILE HA 2 67 ILE HB 2.289 . 2.930 2.959 2.941 2.978 0.048 2 0 "[ . 1 . 2]" 1
406 2 67 ILE HA 2 68 THR MG 2.802 . 3.763 3.467 3.369 3.583 . 0 0 "[ . 1 . 2]" 1
407 2 61 MET ME 2 61 MET HG2 2.367 . 3.052 2.798 2.538 3.078 0.026 11 0 "[ . 1 . 2]" 1
408 2 61 MET ME 2 113 ARG QB 2.306 . 2.955 2.926 2.846 3.027 0.072 8 0 "[ . 1 . 2]" 1
409 2 60 GLU HA 2 60 GLU HG3 2.456 . 3.194 2.599 2.538 2.664 . 0 0 "[ . 1 . 2]" 1
410 2 60 GLU HA 2 60 GLU HG2 2.445 . 3.176 2.487 2.413 2.553 . 0 0 "[ . 1 . 2]" 1
411 2 60 GLU HA 2 112 GLN HA 2.161 . 2.731 2.360 2.216 2.510 . 0 0 "[ . 1 . 2]" 1
412 2 60 GLU HG2 2 112 GLN HA 2.748 . 3.672 3.720 3.675 3.766 0.094 18 0 "[ . 1 . 2]" 1
413 2 60 GLU HG3 2 112 GLN HA 2.697 . 3.588 3.615 3.508 3.686 0.098 19 0 "[ . 1 . 2]" 1
414 2 60 GLU HA 2 60 GLU HB3 2.424 . 3.142 2.635 2.583 2.669 . 0 0 "[ . 1 . 2]" 1
415 2 60 GLU HA 2 60 GLU HB2 2.534 . 3.319 2.960 2.939 2.974 . 0 0 "[ . 1 . 2]" 1
416 2 60 GLU HB2 2 60 GLU HG3 2.307 . 2.957 2.475 2.424 2.500 . 0 0 "[ . 1 . 2]" 1
417 2 76 SER HA 2 76 SER QB 2.540 . 3.047 2.202 2.189 2.225 . 0 0 "[ . 1 . 2]" 1
418 2 43 TRP HA 2 43 TRP HB2 2.785 . 3.734 2.523 2.499 2.547 . 0 0 "[ . 1 . 2]" 1
419 2 43 TRP HA 2 43 TRP HB3 2.743 . 3.664 3.038 3.030 3.043 . 0 0 "[ . 1 . 2]" 1
420 2 118 LYS HA 2 119 PRO HD3 2.611 . 3.445 2.920 1.722 3.126 0.037 17 0 "[ . 1 . 2]" 1
421 2 61 MET HB3 2 111 ARG HA 3.185 . 4.428 4.458 4.360 4.525 0.097 16 0 "[ . 1 . 2]" 1
422 2 61 MET HB2 2 111 ARG HA 2.944 . 4.006 3.349 3.187 3.642 . 0 0 "[ . 1 . 2]" 1
423 2 119 PRO HD3 2 119 PRO HG2 2.822 . 3.797 2.946 2.619 2.997 . 0 0 "[ . 1 . 2]" 1
424 2 119 PRO HB2 2 119 PRO HG3 2.865 . 3.870 2.837 2.641 2.982 . 0 0 "[ . 1 . 2]" 1
425 2 11 ASP HA 2 11 ASP HB2 2.425 . 3.144 2.576 2.393 3.024 . 0 0 "[ . 1 . 2]" 1
426 2 13 THR HB 2 13 THR MG 1.826 . 2.232 2.135 2.126 2.143 . 0 0 "[ . 1 . 2]" 1
427 2 13 THR HA 2 13 THR MG 2.125 . 2.676 2.304 2.225 2.436 . 0 0 "[ . 1 . 2]" 1
428 2 12 THR HB 2 12 THR MG 1.850 . 2.266 2.133 2.126 2.139 . 0 0 "[ . 1 . 2]" 1
429 2 15 ARG HB2 2 15 ARG HD3 2.554 . 3.352 3.065 2.203 4.152 0.800 3 1 "[ + . 1 . 2]" 1
430 2 26 GLU HA 2 27 VAL QG 2.530 . 3.314 3.233 2.700 3.519 0.205 18 0 "[ . 1 . 2]" 1
431 2 27 VAL HB 2 27 VAL QG 1.847 . 2.274 1.895 1.881 1.904 . 0 0 "[ . 1 . 2]" 1
432 2 27 VAL HA 2 27 VAL HB 2.065 . 2.584 2.540 2.451 2.620 0.036 15 0 "[ . 1 . 2]" 1
433 2 29 GLY HA2 2 31 LEU MD1 2.530 . 3.312 3.437 3.376 3.538 0.226 5 0 "[ . 1 . 2]" 1
434 2 29 GLY HA3 2 31 LEU MD1 2.379 . 3.071 1.987 1.876 2.177 . 0 0 "[ . 1 . 2]" 1
435 2 29 GLY HA3 2 31 LEU HB2 2.930 . 3.981 3.949 3.440 4.100 0.119 19 0 "[ . 1 . 2]" 1
436 2 32 ASP HA 2 32 ASP HB2 2.334 . 2.999 2.685 2.310 3.026 0.027 10 0 "[ . 1 . 2]" 1
437 2 32 ASP HA 2 32 ASP HB3 2.273 . 2.903 2.577 2.344 3.016 0.113 15 0 "[ . 1 . 2]" 1
438 2 50 ARG HD3 2 124 LEU QB 2.785 . 3.734 3.010 2.190 3.547 . 0 0 "[ . 1 . 2]" 1
439 2 122 LEU HA 2 122 LEU MD2 2.249 . 2.867 2.866 2.646 2.980 0.113 6 0 "[ . 1 . 2]" 1
440 2 103 ARG HA 2 106 PHE HB2 2.672 . 3.546 3.625 3.571 3.677 0.131 6 0 "[ . 1 . 2]" 1
441 2 103 ARG HA 2 106 PHE HB3 2.630 . 3.476 2.380 2.254 2.635 . 0 0 "[ . 1 . 2]" 1
442 2 105 THR HA 2 105 THR MG 1.872 . 2.298 2.337 2.304 2.357 0.059 5 0 "[ . 1 . 2]" 1
443 2 105 THR HB 2 105 THR MG 1.883 . 2.314 2.113 2.105 2.121 . 0 0 "[ . 1 . 2]" 1
444 2 80 PRO HA 2 83 SER QB 2.394 . 3.095 3.079 3.031 3.111 0.016 17 0 "[ . 1 . 2]" 1
445 2 79 LYS HA 2 79 LYS QG 2.549 . 3.107 2.410 2.164 2.892 . 0 0 "[ . 1 . 2]" 1
446 2 79 LYS HA 2 82 ASP HB3 2.593 . 3.415 3.448 2.510 3.872 0.457 6 0 "[ . 1 . 2]" 1
447 2 75 SER HA 2 75 SER HB3 2.216 . 2.816 2.389 2.312 2.973 0.157 14 0 "[ . 1 . 2]" 1
448 2 75 SER HA 2 75 SER HB2 2.179 . 2.759 2.565 2.474 2.630 . 0 0 "[ . 1 . 2]" 1
449 2 63 PRO HA 2 63 PRO HG3 2.757 . 3.687 2.796 2.755 2.861 . 0 0 "[ . 1 . 2]" 1
450 2 63 PRO HA 2 63 PRO HG2 2.731 . 3.644 3.824 3.798 3.860 0.216 15 0 "[ . 1 . 2]" 1
451 2 63 PRO HA 2 63 PRO HB3 2.318 . 2.975 2.291 2.281 2.304 . 0 0 "[ . 1 . 2]" 1
452 2 63 PRO HB2 2 63 PRO HG3 2.334 . 3.000 3.011 3.005 3.016 0.016 16 0 "[ . 1 . 2]" 1
453 2 63 PRO HD3 2 63 PRO HG3 2.192 . 2.778 2.337 2.317 2.376 . 0 0 "[ . 1 . 2]" 1
454 2 62 LEU HA 2 63 PRO HD2 2.326 . 2.987 2.996 2.890 3.294 0.307 17 0 "[ . 1 . 2]" 1
455 2 62 LEU HA 2 63 PRO HD3 2.389 . 3.087 2.013 1.961 2.124 . 0 0 "[ . 1 . 2]" 1
456 2 63 PRO HD3 2 63 PRO HG2 2.381 . 3.074 2.642 2.626 2.670 . 0 0 "[ . 1 . 2]" 1
457 2 62 LEU QD 2 63 PRO HD2 2.409 . 3.119 1.989 1.790 2.391 0.010 20 0 "[ . 1 . 2]" 1
458 2 62 LEU QD 2 63 PRO HD3 2.984 . 3.306 2.364 1.909 3.208 . 0 0 "[ . 1 . 2]" 1
459 2 15 ARG HA 2 15 ARG HB3 2.324 . 2.983 2.702 2.347 3.019 0.036 14 0 "[ . 1 . 2]" 1
460 2 15 ARG HA 2 15 ARG HB2 2.425 . 3.143 2.837 2.365 3.015 . 0 0 "[ . 1 . 2]" 1
461 2 15 ARG HB3 2 15 ARG HD3 2.484 . 3.238 3.084 2.206 3.741 0.503 13 1 "[ . 1 + . 2]" 1
462 2 23 VAL HA 2 23 VAL HB 2.114 . 2.659 2.465 2.355 2.609 . 0 0 "[ . 1 . 2]" 1
463 2 26 GLU HG3 2 27 VAL QG 2.760 . 3.692 2.772 1.660 3.696 0.154 9 0 "[ . 1 . 2]" 1
464 2 31 LEU HA 2 34 LEU HB3 2.692 . 3.573 3.710 3.659 3.752 0.179 9 0 "[ . 1 . 2]" 1
465 2 31 LEU HA 2 34 LEU HB2 2.801 . 3.763 2.452 2.398 2.517 . 0 0 "[ . 1 . 2]" 1
466 2 34 LEU HB3 2 34 LEU HG 2.268 . 2.897 2.914 2.900 2.931 0.034 10 0 "[ . 1 . 2]" 1
467 2 34 LEU HA 2 34 LEU MD1 2.540 . 3.329 3.500 3.475 3.526 0.197 10 0 "[ . 1 . 2]" 1
468 2 31 LEU MD2 2 98 MET HA 2.441 . 3.186 2.856 2.594 3.131 . 0 0 "[ . 1 . 2]" 1
469 2 34 LEU MD1 2 97 GLU HG3 2.566 . 3.371 2.348 2.022 3.435 0.064 12 0 "[ . 1 . 2]" 1
470 2 33 ASP HA 2 33 ASP HB3 2.199 . 2.790 2.925 2.722 2.968 0.178 13 0 "[ . 1 . 2]" 1
471 2 33 ASP HA 2 33 ASP HB2 1.988 . 2.470 2.588 2.520 2.835 0.365 14 0 "[ . 1 . 2]" 1
472 2 33 ASP HA 2 36 VAL HB 2.053 . 2.568 2.112 1.964 2.206 . 0 0 "[ . 1 . 2]" 1
473 2 35 ILE MG 2 113 ARG HD2 2.835 . 3.819 3.855 2.849 4.541 0.722 16 1 "[ . 1 .+ 2]" 1
474 2 35 ILE HA 2 35 ILE MG 2.142 . 2.702 2.721 2.692 2.764 0.062 14 0 "[ . 1 . 2]" 1
475 2 35 ILE MG 2 115 ILE MG 2.704 . 3.600 3.416 3.347 3.553 . 0 0 "[ . 1 . 2]" 1
476 2 119 PRO HG3 2 122 LEU MD2 2.735 . 3.651 2.641 2.255 2.900 . 0 0 "[ . 1 . 2]" 1
477 2 119 PRO HB3 2 122 LEU MD2 2.634 . 3.483 1.923 1.774 2.282 . 0 0 "[ . 1 . 2]" 1
478 2 116 ILE MG 2 118 LYS HB2 2.452 . 3.203 2.270 1.975 2.425 . 0 0 "[ . 1 . 2]" 1
479 2 115 ILE HA 2 115 ILE HG13 2.800 . 3.760 2.425 2.256 2.527 . 0 0 "[ . 1 . 2]" 1
480 2 58 LEU MD1 2 114 ARG HA 2.515 . 3.306 2.933 2.680 3.197 . 0 0 "[ . 1 . 2]" 1
481 2 58 LEU HA 2 58 LEU MD1 1.970 . 2.443 1.779 1.701 1.840 . 0 0 "[ . 1 . 2]" 1
482 2 114 ARG HA 2 114 ARG HG2 2.643 . 3.498 2.451 2.303 3.667 0.169 13 0 "[ . 1 . 2]" 1
483 2 110 TYR HA 2 110 TYR QD 2.328 . 2.990 2.431 2.276 2.700 . 0 0 "[ . 1 . 2]" 1
484 2 110 TYR HA 2 111 ARG H 2.610 . 3.443 3.394 3.331 3.425 . 0 0 "[ . 1 . 2]" 1
485 2 108 SER HB3 2 109 LEU QD 2.193 . 2.780 2.442 2.192 2.526 . 0 0 "[ . 1 . 2]" 1
486 2 106 PHE HA 2 106 PHE QD 2.598 . 3.425 2.779 2.693 2.884 . 0 0 "[ . 1 . 2]" 1
487 2 101 LEU QD 2 106 PHE HA 2.345 . 3.018 2.414 2.113 2.518 . 0 0 "[ . 1 . 2]" 1
488 2 106 PHE HB2 2 106 PHE QD 2.709 . 3.606 2.444 2.382 2.500 . 0 0 "[ . 1 . 2]" 1
489 2 101 LEU QD 2 106 PHE QD 2.620 . 3.460 3.444 3.141 3.554 0.094 9 0 "[ . 1 . 2]" 1
490 2 101 LEU QD 2 110 TYR QD 2.317 . 2.974 2.130 1.874 2.302 . 0 0 "[ . 1 . 2]" 1
491 2 101 LEU QD 2 110 TYR QE 2.476 . 3.225 2.157 1.754 2.844 . 0 0 "[ . 1 . 2]" 1
492 2 101 LEU QD 2 105 THR MG 1.985 . 2.442 1.663 1.580 1.933 . 0 0 "[ . 1 . 2]" 1
493 2 104 ALA HA 2 107 ASP HB2 2.379 . 3.071 2.989 2.709 3.119 0.048 12 0 "[ . 1 . 2]" 1
494 2 103 ARG HA 2 103 ARG HG2 2.590 . 3.410 3.383 2.896 3.665 0.255 20 0 "[ . 1 . 2]" 1
495 2 103 ARG QD 2 103 ARG HG2 2.442 . 2.906 2.352 2.276 2.484 . 0 0 "[ . 1 . 2]" 1
496 2 103 ARG HA 2 103 ARG QD 2.204 . 2.797 1.992 1.805 2.271 . 0 0 "[ . 1 . 2]" 1
497 2 102 PRO HA 2 102 PRO HB3 2.011 . 2.504 2.327 2.307 2.337 . 0 0 "[ . 1 . 2]" 1
498 2 102 PRO HG2 2 105 THR HB 2.566 . 3.371 3.009 2.971 3.048 . 0 0 "[ . 1 . 2]" 1
499 2 102 PRO HD3 2 102 PRO HG2 2.277 . 2.910 2.611 2.590 2.624 . 0 0 "[ . 1 . 2]" 1
500 2 102 PRO HB2 2 105 THR HB 2.673 . 3.548 2.215 2.161 2.270 . 0 0 "[ . 1 . 2]" 1
501 2 95 ILE HA 2 96 PRO QD 2.207 . 2.801 1.802 1.693 1.943 . 0 0 "[ . 1 . 2]" 1
502 2 96 PRO HA 2 96 PRO HB2 2.031 . 2.533 2.738 2.613 2.933 0.400 8 0 "[ . 1 . 2]" 1
503 2 96 PRO HB2 2 96 PRO QD 2.734 . 3.650 3.339 3.124 3.454 . 0 0 "[ . 1 . 2]" 1
504 2 96 PRO HB3 2 96 PRO QD 2.711 . 3.610 2.997 2.487 3.441 . 0 0 "[ . 1 . 2]" 1
505 2 96 PRO QD 2 96 PRO HG2 2.424 . 2.939 2.224 2.162 2.296 . 0 0 "[ . 1 . 2]" 1
506 2 96 PRO QD 2 96 PRO HG3 2.281 . 2.905 2.187 2.118 2.218 . 0 0 "[ . 1 . 2]" 1
507 2 96 PRO HB2 2 96 PRO HG3 2.155 . 2.722 2.727 2.576 2.906 0.184 18 0 "[ . 1 . 2]" 1
508 2 60 GLU HG3 2 69 ASN HB3 3.034 . 4.163 3.178 3.086 3.509 . 0 0 "[ . 1 . 2]" 1
509 2 60 GLU HG2 2 69 ASN HB2 3.201 . 4.457 4.463 4.057 4.613 0.156 20 0 "[ . 1 . 2]" 1
510 2 59 ILE HA 2 59 ILE HG12 2.845 . 3.836 3.405 2.264 3.586 . 0 0 "[ . 1 . 2]" 1
511 2 59 ILE HA 2 59 ILE HG13 2.994 . 4.093 3.800 3.344 4.102 0.009 2 0 "[ . 1 . 2]" 1
512 2 59 ILE HA 2 59 ILE MG 2.160 . 2.730 2.506 2.253 2.748 0.018 6 0 "[ . 1 . 2]" 1
513 2 59 ILE HA 2 59 ILE MD 2.693 . 3.581 2.958 2.016 3.637 0.056 3 0 "[ . 1 . 2]" 1
514 2 59 ILE HB 2 59 ILE MG 2.032 . 2.536 2.098 2.089 2.110 . 0 0 "[ . 1 . 2]" 1
515 2 57 VAL HA 2 57 VAL HB 2.659 . 3.525 3.004 2.998 3.013 . 0 0 "[ . 1 . 2]" 1
516 2 57 VAL HA 2 72 VAL HA 2.366 . 3.050 2.443 2.292 2.592 . 0 0 "[ . 1 . 2]" 1
517 2 57 VAL HA 2 57 VAL MG1 2.176 . 2.754 2.484 2.434 2.520 . 0 0 "[ . 1 . 2]" 1
518 2 57 VAL MG1 2 72 VAL HA 2.561 . 3.363 3.329 3.151 3.417 0.054 1 0 "[ . 1 . 2]" 1
519 2 57 VAL MG2 2 85 ALA MB 1.915 . 2.362 2.419 2.373 2.449 0.087 9 0 "[ . 1 . 2]" 1
520 2 57 VAL MG2 2 115 ILE MG 3.105 . 4.287 3.956 3.847 4.060 . 0 0 "[ . 1 . 2]" 1
521 2 56 GLU HA 2 56 GLU QG 2.605 . 3.435 2.285 2.239 2.521 . 0 0 "[ . 1 . 2]" 1
522 2 55 VAL HA 2 55 VAL QG 2.386 . 2.752 2.187 2.132 2.446 . 0 0 "[ . 1 . 2]" 1
523 2 55 VAL HA 2 55 VAL HB 2.643 . 3.498 2.896 2.368 2.996 . 0 0 "[ . 1 . 2]" 1
524 2 54 SER HB2 2 118 LYS HB3 3.190 . 4.437 4.237 3.416 4.645 0.208 5 0 "[ . 1 . 2]" 1
525 2 54 SER HB3 2 118 LYS HB3 2.974 . 4.057 3.632 3.367 4.556 0.499 4 0 "[ . 1 . 2]" 1
526 2 54 SER HB3 2 118 LYS QG 2.591 . 3.413 2.198 1.591 3.724 0.311 4 0 "[ . 1 . 2]" 1
527 2 53 MET HA 2 53 MET HB2 2.671 . 3.544 2.384 2.186 2.930 . 0 0 "[ . 1 . 2]" 1
528 2 53 MET HA 2 53 MET QG 2.439 . 3.166 2.873 2.154 3.159 . 0 0 "[ . 1 . 2]" 1
529 2 52 GLY QA 2 118 LYS QG 3.002 . 4.106 2.545 1.955 2.918 . 0 0 "[ . 1 . 2]" 1
530 2 51 ASN HA 2 51 ASN HB2 2.360 . 3.041 2.891 2.608 3.009 . 0 0 "[ . 1 . 2]" 1
531 2 50 ARG HA 2 50 ARG HD2 2.158 . 2.726 2.860 2.101 3.186 0.460 4 0 "[ . 1 . 2]" 1
532 2 50 ARG HA 2 122 LEU MD2 2.378 . 3.069 3.159 3.049 3.236 0.167 6 0 "[ . 1 . 2]" 1
533 2 50 ARG HA 2 50 ARG HB2 2.569 . 3.376 3.022 2.990 3.037 . 0 0 "[ . 1 . 2]" 1
534 2 49 ALA HA 2 53 MET HB3 2.800 . 3.760 3.764 3.179 3.958 0.198 9 0 "[ . 1 . 2]" 1
535 2 47 PRO HD3 2 47 PRO QG 2.154 . 2.720 2.224 2.149 2.303 . 0 0 "[ . 1 . 2]" 1
536 2 36 VAL HA 2 36 VAL MG1 2.127 . 2.679 2.635 2.589 2.663 . 0 0 "[ . 1 . 2]" 1
537 2 36 VAL HB 2 36 VAL MG1 1.880 . 2.310 2.123 2.113 2.137 . 0 0 "[ . 1 . 2]" 1
538 2 34 LEU HA 2 37 ASN HB3 2.253 . 2.872 2.361 2.300 2.423 . 0 0 "[ . 1 . 2]" 1
539 2 66 THR HA 2 94 ARG HA 2.131 . 2.685 1.647 1.598 1.698 0.060 8 0 "[ . 1 . 2]" 1
540 2 66 THR HB 2 94 ARG HA 3.059 . 4.206 4.448 4.380 4.506 0.300 1 0 "[ . 1 . 2]" 1
541 2 66 THR HB 2 66 THR MG 1.952 . 2.415 2.129 2.124 2.135 . 0 0 "[ . 1 . 2]" 1
542 2 66 THR HA 2 66 THR MG 1.984 . 2.464 2.224 2.115 2.403 . 0 0 "[ . 1 . 2]" 1
543 2 66 THR MG 2 94 ARG HA 2.559 . 3.361 3.249 2.750 3.446 0.085 9 0 "[ . 1 . 2]" 1
544 2 66 THR MG 2 94 ARG QD 2.967 . 4.047 3.631 2.815 3.993 . 0 0 "[ . 1 . 2]" 1
545 2 53 MET QG 2 76 SER QB 2.786 . 3.528 2.970 2.453 3.186 . 0 0 "[ . 1 . 2]" 1
546 2 70 ALA MB 2 86 VAL HA 2.447 . 3.179 3.322 3.267 3.393 0.214 1 0 "[ . 1 . 2]" 1
547 2 80 PRO HA 2 80 PRO HB3 2.180 . 2.760 2.280 2.270 2.292 . 0 0 "[ . 1 . 2]" 1
548 2 80 PRO HA 2 80 PRO HB2 2.320 . 2.977 2.822 2.815 2.830 . 0 0 "[ . 1 . 2]" 1
549 2 67 ILE HA 2 67 ILE MG 2.057 . 2.572 2.621 2.573 2.666 0.094 19 0 "[ . 1 . 2]" 1
550 2 98 MET HA 2 98 MET HG3 2.859 . 3.860 3.473 2.704 3.761 . 0 0 "[ . 1 . 2]" 1
551 2 98 MET ME 2 98 MET HG3 2.380 . 3.072 2.494 2.121 2.829 . 0 0 "[ . 1 . 2]" 1
552 2 98 MET ME 2 98 MET HG2 2.191 . 2.776 2.762 2.226 3.269 0.493 20 0 "[ . 1 . 2]" 1
553 2 98 MET HA 2 98 MET ME 2.489 . 3.246 2.725 1.756 3.317 0.071 19 0 "[ . 1 . 2]" 1
554 2 65 GLY HA2 2 98 MET HG2 2.972 . 4.054 2.794 1.748 3.200 0.120 17 0 "[ . 1 . 2]" 1
555 2 65 GLY HA2 2 98 MET ME 2.779 . 3.724 3.639 3.451 3.788 0.064 7 0 "[ . 1 . 2]" 1
556 2 70 ALA MB 2 89 VAL HB 2.267 . 2.895 2.925 2.804 2.982 0.087 9 0 "[ . 1 . 2]" 1
557 2 72 VAL HA 2 72 VAL HB 2.465 . 3.207 2.918 2.909 2.926 . 0 0 "[ . 1 . 2]" 1
558 2 72 VAL HA 2 72 VAL QG 1.935 . 2.391 2.008 1.981 2.031 . 0 0 "[ . 1 . 2]" 1
559 2 72 VAL QG 2 75 SER HA 1.974 . 2.448 2.437 2.374 2.508 0.060 9 0 "[ . 1 . 2]" 1
560 2 72 VAL QG 2 75 SER HB3 2.388 . 3.085 2.098 1.857 3.457 0.372 14 0 "[ . 1 . 2]" 1
561 2 72 VAL QG 2 82 ASP HB3 2.247 . 2.864 2.042 1.615 2.971 0.107 20 0 "[ . 1 . 2]" 1
562 2 55 VAL QG 2 75 SER HA 2.180 . 2.760 2.472 2.271 2.751 . 0 0 "[ . 1 . 2]" 1
563 2 73 SER HA 2 73 SER QB 1.976 . 2.451 2.128 2.101 2.165 . 0 0 "[ . 1 . 2]" 1
564 2 56 GLU HB3 2 73 SER QB 2.721 . 3.628 3.460 3.393 3.550 . 0 0 "[ . 1 . 2]" 1
565 2 58 LEU MD1 2 73 SER QB 3.001 . 3.925 3.619 3.480 3.662 . 0 0 "[ . 1 . 2]" 1
566 2 58 LEU MD1 2 113 ARG HA 2.910 . 3.946 3.916 3.602 4.019 0.073 18 0 "[ . 1 . 2]" 1
567 2 53 MET ME 2 76 SER QB 2.510 . 3.103 2.222 1.874 2.517 . 0 0 "[ . 1 . 2]" 1
568 2 53 MET ME 2 78 ASP HB3 2.277 . 2.911 2.460 2.046 2.959 0.048 13 0 "[ . 1 . 2]" 1
569 2 78 ASP HA 2 78 ASP HB2 2.517 . 3.291 2.728 2.513 2.982 . 0 0 "[ . 1 . 2]" 1
570 2 78 ASP HB2 2 81 PHE HB3 2.895 . 3.922 3.238 2.452 3.802 . 0 0 "[ . 1 . 2]" 1
571 2 78 ASP HB2 2 81 PHE HB2 2.657 . 3.521 3.423 2.831 3.769 0.248 19 0 "[ . 1 . 2]" 1
572 2 22 GLU HA 2 22 GLU QB 2.264 . 2.842 2.213 2.147 2.392 . 0 0 "[ . 1 . 2]" 1
573 2 83 SER HA 2 86 VAL HB 2.386 . 3.082 2.430 2.221 2.558 . 0 0 "[ . 1 . 2]" 1
574 2 86 VAL HA 2 86 VAL HB 2.599 . 3.425 3.032 3.024 3.040 . 0 0 "[ . 1 . 2]" 1
575 2 39 VAL MG2 2 89 VAL HA 2.413 . 3.125 1.914 1.818 1.998 . 0 0 "[ . 1 . 2]" 1
576 2 55 VAL QG 2 82 ASP HA 2.342 . 3.012 1.726 1.674 1.794 . 0 0 "[ . 1 . 2]" 1
577 2 85 ALA HA 2 85 ALA MB 2.100 . 2.638 2.081 2.067 2.096 . 0 0 "[ . 1 . 2]" 1
578 2 85 ALA MB 2 88 ALA MB 3.060 . 4.208 3.028 2.946 3.084 . 0 0 "[ . 1 . 2]" 1
579 2 88 ALA HA 2 91 ASN HB2 2.695 . 3.584 3.570 3.269 3.663 0.079 9 0 "[ . 1 . 2]" 1
580 2 85 ALA MB 2 89 VAL MG1 3.203 . 4.460 3.707 3.554 3.782 . 0 0 "[ . 1 . 2]" 1
581 2 43 TRP HA 2 88 ALA MB 2.061 . 2.578 1.947 1.877 2.077 . 0 0 "[ . 1 . 2]" 1
582 2 43 TRP HB3 2 88 ALA MB 2.426 . 3.146 3.156 3.125 3.174 0.028 17 0 "[ . 1 . 2]" 1
583 2 62 LEU HA 2 62 LEU QD 2.222 . 2.839 2.189 1.742 3.243 0.404 17 0 "[ . 1 . 2]" 1
584 2 62 LEU QB 2 62 LEU QD 2.748 . 3.210 1.933 1.815 1.968 . 0 0 "[ . 1 . 2]" 1
585 2 91 ASN HA 2 91 ASN HB2 2.261 . 2.886 2.597 2.518 2.736 . 0 0 "[ . 1 . 2]" 1
586 2 42 GLN HA 2 42 GLN QG 2.609 . 3.442 2.393 2.192 3.024 . 0 0 "[ . 1 . 2]" 1
587 2 39 VAL MG1 2 40 SER HA 2.547 . 3.341 2.992 2.943 3.065 . 0 0 "[ . 1 . 2]" 1
588 2 95 ILE HA 2 95 ILE QG 2.801 . 3.620 2.299 2.163 2.414 . 0 0 "[ . 1 . 2]" 1
589 2 20 ALA HA 2 20 ALA MB 1.719 . 2.077 2.118 2.096 2.126 0.049 18 0 "[ . 1 . 2]" 1
590 2 18 ALA HA 2 18 ALA MB 1.613 . 1.930 2.099 2.089 2.106 0.176 17 0 "[ . 1 . 2]" 1
591 2 19 LEU HA 2 19 LEU QB 2.075 . 2.601 2.356 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
592 2 21 ASP HA 2 21 ASP HB2 2.177 . 2.755 2.485 2.372 2.975 0.220 2 0 "[ . 1 . 2]" 1
593 2 26 GLU HA 2 26 GLU HB2 1.972 . 2.446 2.577 2.267 2.916 0.470 16 0 "[ . 1 . 2]" 1
594 2 27 VAL HB 2 28 THR MG 2.603 . 3.432 3.419 3.103 3.643 0.211 9 0 "[ . 1 . 2]" 1
595 2 31 LEU MD2 2 101 LEU QD 2.292 . 2.934 2.264 1.843 2.592 . 0 0 "[ . 1 . 2]" 1
596 2 33 ASP HA 2 36 VAL MG2 2.207 . 2.802 2.878 2.835 2.923 0.121 20 0 "[ . 1 . 2]" 1
597 2 95 ILE HB 2 98 MET ME 2.945 . 4.007 3.313 2.677 4.023 0.016 14 0 "[ . 1 . 2]" 1
598 2 35 ILE MD 2 98 MET ME 2.131 . 2.685 2.191 1.724 2.749 0.064 3 0 "[ . 1 . 2]" 1
599 2 87 ALA HA 2 90 ARG HB2 2.302 . 2.950 2.407 2.336 2.462 . 0 0 "[ . 1 . 2]" 1
600 2 90 ARG HB3 2 90 ARG HD2 2.661 . 3.528 2.288 2.257 2.320 . 0 0 "[ . 1 . 2]" 1
601 2 35 ILE MD 2 110 TYR QD 2.561 . 3.363 2.260 2.073 2.470 . 0 0 "[ . 1 . 2]" 1
602 2 35 ILE MD 2 110 TYR QE 2.469 . 3.215 2.408 2.070 2.751 . 0 0 "[ . 1 . 2]" 1
603 2 36 VAL MG2 2 115 ILE MG 2.042 . 2.563 2.613 2.577 2.645 0.082 7 0 "[ . 1 . 2]" 1
604 2 38 LEU HA 2 38 LEU HB2 2.376 . 3.066 3.007 3.004 3.010 . 0 0 "[ . 1 . 2]" 1
605 2 38 LEU HB3 2 38 LEU MD1 2.094 . 2.628 2.412 2.383 2.445 . 0 0 "[ . 1 . 2]" 1
606 2 39 VAL HA 2 39 VAL MG2 2.250 . 2.869 2.154 2.125 2.190 . 0 0 "[ . 1 . 2]" 1
607 2 39 VAL HA 2 92 VAL MG1 2.103 . 2.642 2.129 1.959 2.286 . 0 0 "[ . 1 . 2]" 1
608 2 70 ALA MB 2 90 ARG HD2 2.552 . 3.343 3.266 3.184 3.367 0.024 3 0 "[ . 1 . 2]" 1
609 2 67 ILE MG 2 90 ARG HD3 2.284 . 2.922 2.459 2.106 2.726 . 0 0 "[ . 1 . 2]" 1
610 2 70 ALA MB 2 90 ARG HD3 2.450 . 3.178 1.924 1.830 2.041 . 0 0 "[ . 1 . 2]" 1
611 2 90 ARG HA 2 90 ARG HD2 2.254 . 2.875 2.399 2.208 2.617 . 0 0 "[ . 1 . 2]" 1
612 2 90 ARG HA 2 90 ARG HD3 2.424 . 3.143 2.428 2.314 2.516 . 0 0 "[ . 1 . 2]" 1
613 2 90 ARG HD3 2 90 ARG HG3 2.376 . 3.066 2.938 2.920 2.966 . 0 0 "[ . 1 . 2]" 1
614 2 67 ILE MG 2 90 ARG HD2 2.920 . 3.965 2.814 2.453 3.110 . 0 0 "[ . 1 . 2]" 1
615 2 70 ALA MB 2 90 ARG HG3 2.378 . 3.085 3.174 3.115 3.246 0.161 16 0 "[ . 1 . 2]" 1
616 2 80 PRO HD3 2 80 PRO HG3 2.163 . 2.748 2.303 2.282 2.319 . 0 0 "[ . 1 . 2]" 1
617 2 65 GLY HA3 2 98 MET HB2 2.551 . 3.346 2.719 2.354 3.119 . 0 0 "[ . 1 . 2]" 1
618 2 94 ARG HA 2 94 ARG QD 2.943 . 4.005 3.638 3.402 3.970 . 0 0 "[ . 1 . 2]" 1
619 2 27 VAL HB 2 28 THR HA 3.078 . 4.239 4.025 3.732 4.380 0.141 6 0 "[ . 1 . 2]" 1
620 2 99 GLN HA 2 99 GLN HG3 2.463 . 3.205 3.030 2.896 3.228 0.023 7 0 "[ . 1 . 2]" 1
621 2 99 GLN HA 2 99 GLN HB2 2.202 . 2.794 2.950 2.940 2.956 0.162 2 0 "[ . 1 . 2]" 1
622 2 64 ASP HA 2 99 GLN HG3 2.357 . 3.036 2.855 2.763 3.109 0.073 16 0 "[ . 1 . 2]" 1
623 2 35 ILE HA 2 35 ILE HG13 2.127 . 2.692 2.074 2.010 2.133 . 0 0 "[ . 1 . 2]" 1
624 2 71 SER HB2 2 73 SER HA 2.844 . 3.834 3.928 3.889 3.951 0.117 8 0 "[ . 1 . 2]" 1
625 2 61 MET HA 2 61 MET ME 3.129 . 4.330 4.176 4.115 4.237 . 0 0 "[ . 1 . 2]" 1
626 2 80 PRO HB2 2 81 PHE HA 2.572 . 3.381 3.566 3.549 3.581 0.200 18 0 "[ . 1 . 2]" 1
627 2 46 PRO HG3 2 81 PHE HA 2.670 . 3.543 2.269 1.855 2.709 . 0 0 "[ . 1 . 2]" 1
628 2 49 ALA MB 2 81 PHE HA 3.235 . 4.518 4.324 3.969 4.546 0.028 18 0 "[ . 1 . 2]" 1
629 2 56 GLU HA 2 116 ILE MG 3.513 . 5.029 4.419 4.344 4.532 . 0 0 "[ . 1 . 2]" 1
630 2 44 ARG HA 2 44 ARG HG2 2.438 . 3.164 2.846 2.401 3.240 0.076 4 0 "[ . 1 . 2]" 1
631 2 26 GLU HB2 2 109 LEU QD 3.394 . 4.808 4.242 3.271 5.506 0.698 15 1 "[ . 1 + 2]" 1
632 2 97 GLU HA 2 100 GLN HG2 3.026 . 4.149 2.752 2.220 3.048 . 0 0 "[ . 1 . 2]" 1
633 2 74 ARG HA 2 74 ARG QD 2.831 . 3.812 2.093 1.899 2.850 . 0 0 "[ . 1 . 2]" 1
634 2 74 ARG HB3 2 74 ARG QD 2.250 . 2.869 2.911 2.287 3.297 0.428 18 0 "[ . 1 . 2]" 1
635 2 74 ARG HB2 2 74 ARG QD 2.799 . 3.758 2.710 2.294 3.319 . 0 0 "[ . 1 . 2]" 1
636 2 74 ARG HA 2 74 ARG HB3 2.563 . 3.366 2.883 2.541 3.022 . 0 0 "[ . 1 . 2]" 1
637 2 74 ARG HA 2 74 ARG HB2 2.458 . 3.196 2.684 2.411 3.020 . 0 0 "[ . 1 . 2]" 1
638 2 72 VAL QG 2 74 ARG HA 2.766 . 3.702 3.316 3.206 3.432 . 0 0 "[ . 1 . 2]" 1
639 2 72 VAL HB 2 72 VAL QG 1.861 . 2.282 1.905 1.899 1.911 . 0 0 "[ . 1 . 2]" 1
640 2 55 VAL QG 2 72 VAL QG 2.038 . 2.544 1.926 1.850 2.013 . 0 0 "[ . 1 . 2]" 1
641 2 62 LEU QD 2 66 THR HB 2.066 . 2.587 2.380 1.726 2.662 0.075 13 0 "[ . 1 . 2]" 1
642 2 119 PRO HB2 2 122 LEU MD2 2.606 . 3.437 2.495 1.967 3.139 . 0 0 "[ . 1 . 2]" 1
643 2 50 ARG HA 2 50 ARG HB3 2.416 . 3.130 2.502 2.418 2.630 . 0 0 "[ . 1 . 2]" 1
644 2 62 LEU HA 2 62 LEU HG 3.031 . 4.157 3.262 2.111 4.220 0.063 20 0 "[ . 1 . 2]" 1
645 2 34 LEU HB2 2 34 LEU MD2 2.271 . 2.901 3.083 3.077 3.091 0.190 10 0 "[ . 1 . 2]" 1
646 2 85 ALA MB 2 117 PHE HB3 3.192 . 4.442 3.219 3.119 3.343 . 0 0 "[ . 1 . 2]" 1
647 2 35 ILE MD 2 110 TYR HA 2.998 . 4.099 4.295 4.221 4.350 0.251 12 0 "[ . 1 . 2]" 1
648 2 110 TYR HB3 2 110 TYR QD 2.573 . 3.382 2.535 2.446 2.604 . 0 0 "[ . 1 . 2]" 1
649 2 101 LEU HB2 2 105 THR MG 2.848 . 3.843 3.693 2.500 3.939 0.096 12 0 "[ . 1 . 2]" 1
650 2 102 PRO HB3 2 104 ALA MB 2.853 . 3.850 3.360 3.138 3.520 . 0 0 "[ . 1 . 2]" 1
651 2 102 PRO HG2 2 105 THR MG 2.823 . 3.799 3.309 3.207 3.501 . 0 0 "[ . 1 . 2]" 1
652 2 101 LEU HA 2 102 PRO HD3 2.123 . 2.673 1.850 1.735 1.904 . 0 0 "[ . 1 . 2]" 1
653 2 99 GLN HB3 2 99 GLN HG3 2.235 . 2.844 2.988 2.950 3.016 0.172 10 0 "[ . 1 . 2]" 1
654 2 115 ILE HG12 2 115 ILE MG 1.959 . 2.439 2.149 2.109 2.181 . 0 0 "[ . 1 . 2]" 1
655 2 42 GLN HB2 2 88 ALA HA 2.349 . 3.024 3.109 3.017 3.154 0.130 12 0 "[ . 1 . 2]" 1
656 2 42 GLN HB3 2 88 ALA HA 2.354 . 3.031 2.012 1.899 2.371 . 0 0 "[ . 1 . 2]" 1
657 2 32 ASP HA 2 35 ILE MD 2.276 . 2.924 2.615 2.199 2.983 0.059 14 0 "[ . 1 . 2]" 1
658 2 34 LEU HA 2 34 LEU HB2 2.154 . 2.720 2.882 2.876 2.892 0.172 14 0 "[ . 1 . 2]" 1
659 2 34 LEU HA 2 34 LEU HG 2.404 . 3.110 3.167 3.108 3.198 0.088 8 0 "[ . 1 . 2]" 1
660 2 38 LEU HA 2 38 LEU HB3 2.379 . 3.071 2.446 2.436 2.458 . 0 0 "[ . 1 . 2]" 1
661 2 90 ARG HA 2 90 ARG HG2 2.294 . 2.936 2.931 2.894 2.955 0.019 6 0 "[ . 1 . 2]" 1
662 2 89 VAL MG2 2 90 ARG HA 2.622 . 3.463 3.380 3.308 3.468 0.005 2 0 "[ . 1 . 2]" 1
663 2 67 ILE MG 2 90 ARG HA 2.294 . 2.952 2.199 1.880 2.401 . 0 0 "[ . 1 . 2]" 1
664 2 34 LEU HA 2 34 LEU MD2 1.982 . 2.473 1.799 1.766 1.824 . 0 0 "[ . 1 . 2]" 1
665 2 34 LEU HA 2 34 LEU HB3 2.261 . 2.900 2.413 2.367 2.472 . 0 0 "[ . 1 . 2]" 1
666 2 109 LEU HA 2 109 LEU HB3 2.319 . 2.976 2.360 2.338 2.380 . 0 0 "[ . 1 . 2]" 1
667 2 109 LEU HA 2 109 LEU HB2 2.385 . 3.080 2.975 2.964 2.984 . 0 0 "[ . 1 . 2]" 1
668 2 119 PRO HA 2 119 PRO HB3 2.301 . 2.948 2.256 2.239 2.309 . 0 0 "[ . 1 . 2]" 1
669 2 43 TRP HB2 2 85 ALA HA 2.512 . 3.267 3.530 3.511 3.554 0.287 17 0 "[ . 1 . 2]" 1
670 2 118 LYS H 2 118 LYS HB2 2.968 . 4.027 3.247 2.664 3.410 . 0 0 "[ . 1 . 2]" 1
671 2 48 SER H 2 48 SER HB3 2.694 . 3.564 2.859 2.803 2.902 . 0 0 "[ . 1 . 2]" 1
672 2 58 LEU H 2 58 LEU HB2 2.373 . 3.047 2.463 2.358 2.581 . 0 0 "[ . 1 . 2]" 1
673 2 58 LEU HB3 2 59 ILE H 2.816 . 3.807 4.171 4.093 4.275 0.468 14 0 "[ . 1 . 2]" 1
674 2 78 ASP H 2 78 ASP HB2 2.684 . 3.548 2.649 2.236 3.260 . 0 0 "[ . 1 . 2]" 1
675 2 115 ILE H 2 115 ILE HB 2.561 . 3.346 2.380 2.300 2.527 . 0 0 "[ . 1 . 2]" 1
676 2 116 ILE H 2 116 ILE HB 2.435 . 3.144 2.351 2.301 2.407 . 0 0 "[ . 1 . 2]" 1
677 2 59 ILE MD 2 115 ILE H 2.706 . 3.621 3.861 3.727 4.010 0.389 13 0 "[ . 1 . 2]" 1
678 2 117 PHE H 2 117 PHE HB2 2.800 . 3.742 2.451 2.405 2.490 . 0 0 "[ . 1 . 2]" 1
679 2 114 ARG HD3 2 115 ILE H 3.287 . 4.588 4.597 4.353 4.979 0.391 13 0 "[ . 1 . 2]" 1
680 2 114 ARG HG2 2 115 ILE H 3.079 . 4.220 4.438 4.327 4.991 0.771 13 1 "[ . 1 + . 2]" 1
681 2 124 LEU H 2 124 LEU QB 2.577 . 3.373 2.672 2.135 2.990 . 0 0 "[ . 1 . 2]" 1
682 2 122 LEU HB2 2 123 SER H 3.036 . 4.146 3.082 1.807 3.765 0.093 12 0 "[ . 1 . 2]" 1
683 2 122 LEU H 2 122 LEU HB2 2.662 . 3.511 2.263 2.117 2.432 . 0 0 "[ . 1 . 2]" 1
684 2 122 LEU H 2 122 LEU HB3 2.796 . 3.736 3.488 3.241 3.645 . 0 0 "[ . 1 . 2]" 1
685 2 122 LEU HA 2 122 LEU HB2 2.492 . 3.236 2.967 2.861 3.026 . 0 0 "[ . 1 . 2]" 1
686 2 121 ASP H 2 121 ASP HB2 3.000 . 4.081 3.278 2.986 3.908 . 0 0 "[ . 1 . 2]" 1
687 2 121 ASP H 2 121 ASP HB3 2.840 . 3.809 3.720 2.906 4.093 0.284 20 0 "[ . 1 . 2]" 1
688 2 123 SER QB 2 124 LEU H 2.498 . 3.246 2.559 2.253 2.916 . 0 0 "[ . 1 . 2]" 1
689 2 121 ASP HA 2 121 ASP HB3 2.300 . 2.932 2.765 2.367 3.001 0.069 2 0 "[ . 1 . 2]" 1
690 2 118 LYS HA 2 118 LYS HB2 2.689 . 3.556 2.456 2.345 2.840 . 0 0 "[ . 1 . 2]" 1
691 2 61 MET HB3 2 62 LEU H 2.571 . 3.363 2.342 2.169 2.423 . 0 0 "[ . 1 . 2]" 1
692 2 61 MET HB2 2 62 LEU H 2.788 . 3.721 3.657 3.516 3.723 0.002 2 0 "[ . 1 . 2]" 1
693 2 61 MET HA 2 62 LEU H 2.226 . 2.817 2.114 2.074 2.160 . 0 0 "[ . 1 . 2]" 1
694 2 61 MET HG2 2 62 LEU H 2.884 . 3.884 3.481 3.183 3.694 . 0 0 "[ . 1 . 2]" 1
695 2 61 MET HG3 2 62 LEU H 2.952 . 4.000 4.102 4.054 4.178 0.178 10 0 "[ . 1 . 2]" 1
696 2 61 MET H 2 61 MET HB3 2.774 . 3.697 3.783 3.731 3.817 0.120 17 0 "[ . 1 . 2]" 1
697 2 61 MET H 2 61 MET HB2 2.739 . 3.640 2.717 2.664 2.769 . 0 0 "[ . 1 . 2]" 1
698 2 61 MET H 2 61 MET HA 2.827 . 3.787 2.917 2.905 2.933 . 0 0 "[ . 1 . 2]" 1
699 2 61 MET HA 2 68 THR H 2.522 . 3.283 2.060 1.917 2.259 . 0 0 "[ . 1 . 2]" 1
700 2 61 MET HB3 2 68 THR H 3.238 . 4.502 4.456 4.305 4.552 0.050 20 0 "[ . 1 . 2]" 1
701 2 61 MET HG3 2 68 THR H 3.388 . 4.771 3.059 2.896 3.343 . 0 0 "[ . 1 . 2]" 1
702 2 61 MET H 2 61 MET HG3 2.913 . 3.932 3.469 3.371 3.577 . 0 0 "[ . 1 . 2]" 1
703 2 61 MET HG2 2 68 THR H 3.079 . 4.220 3.657 3.382 3.821 . 0 0 "[ . 1 . 2]" 1
704 2 60 GLU H 2 60 GLU HB3 2.663 . 3.513 3.629 3.573 3.692 0.179 1 0 "[ . 1 . 2]" 1
705 2 118 LYS H 2 118 LYS HB3 2.792 . 3.729 2.920 2.761 3.388 . 0 0 "[ . 1 . 2]" 1
706 2 60 GLU HB3 2 61 MET H 2.894 . 3.900 2.981 2.810 3.157 . 0 0 "[ . 1 . 2]" 1
707 2 122 LEU H 2 122 LEU MD1 2.800 . 3.741 3.761 3.545 3.886 0.145 2 0 "[ . 1 . 2]" 1
708 2 122 LEU MD1 2 123 SER H 2.813 . 3.764 2.818 1.868 3.919 0.155 7 0 "[ . 1 . 2]" 1
709 2 122 LEU MD1 2 124 LEU H 3.214 . 4.459 4.197 3.148 4.519 0.060 7 0 "[ . 1 . 2]" 1
710 2 14 GLU HA 2 14 GLU HB3 2.186 . 2.784 2.696 2.422 3.027 0.243 3 0 "[ . 1 . 2]" 1
711 2 22 GLU H 2 22 GLU HG2 2.528 . 3.327 2.339 1.759 3.667 0.340 6 0 "[ . 1 . 2]" 1
712 2 22 GLU H 2 22 GLU HG3 2.703 . 3.616 3.063 1.858 3.649 0.033 7 0 "[ . 1 . 2]" 1
713 2 14 GLU H 2 14 GLU HA 2.790 . 3.763 2.797 2.206 2.930 . 0 0 "[ . 1 . 2]" 1
714 2 14 GLU HA 2 15 ARG H 2.403 . 3.125 2.788 1.987 3.434 0.309 12 0 "[ . 1 . 2]" 1
715 2 29 GLY H 2 29 GLY HA3 2.209 . 2.791 2.480 2.267 2.793 0.002 20 0 "[ . 1 . 2]" 1
716 2 31 LEU HA 2 31 LEU HB2 2.451 . 3.170 3.044 2.986 3.070 . 0 0 "[ . 1 . 2]" 1
717 2 31 LEU HB2 2 31 LEU MD1 2.030 . 2.545 2.149 2.060 2.237 . 0 0 "[ . 1 . 2]" 1
718 2 107 ASP HA 2 107 ASP HB3 2.755 . 3.666 3.026 3.016 3.041 . 0 0 "[ . 1 . 2]" 1
719 2 107 ASP HA 2 107 ASP HB2 2.655 . 3.500 2.537 2.468 2.681 . 0 0 "[ . 1 . 2]" 1
720 2 33 ASP H 2 33 ASP HB2 2.358 . 3.023 2.174 2.015 2.282 . 0 0 "[ . 1 . 2]" 1
721 2 33 ASP HB2 2 34 LEU H 2.578 . 3.374 3.574 3.404 3.664 0.290 20 0 "[ . 1 . 2]" 1
722 2 33 ASP HB3 2 34 LEU H 2.606 . 3.419 2.682 2.454 3.421 0.002 14 0 "[ . 1 . 2]" 1
723 2 122 LEU HB2 2 122 LEU MD2 2.390 . 3.074 2.249 2.147 2.315 . 0 0 "[ . 1 . 2]" 1
724 2 122 LEU MD2 2 122 LEU HG 2.042 . 2.563 2.109 2.094 2.123 . 0 0 "[ . 1 . 2]" 1
725 2 106 PHE HB2 2 107 ASP H 3.060 . 4.187 3.889 3.809 3.942 . 0 0 "[ . 1 . 2]" 1
726 2 106 PHE H 2 106 PHE HB2 2.713 . 3.596 2.750 2.674 2.822 . 0 0 "[ . 1 . 2]" 1
727 2 105 THR H 2 105 THR MG 2.606 . 3.420 3.653 3.637 3.691 0.271 11 0 "[ . 1 . 2]" 1
728 2 30 SER HA 2 30 SER HB2 2.078 . 2.618 2.787 2.498 2.923 0.305 19 0 "[ . 1 . 2]" 1
729 2 30 SER HA 2 30 SER HB3 2.100 . 2.626 2.566 2.276 2.839 0.213 2 0 "[ . 1 . 2]" 1
730 2 30 SER H 2 30 SER HB2 2.753 . 3.662 2.728 2.059 3.593 . 0 0 "[ . 1 . 2]" 1
731 2 30 SER H 2 30 SER HB3 2.651 . 3.493 3.445 2.578 3.904 0.411 19 0 "[ . 1 . 2]" 1
732 2 30 SER HB2 2 31 LEU H 2.840 . 3.809 3.824 2.721 4.069 0.260 1 0 "[ . 1 . 2]" 1
733 2 30 SER HB3 2 31 LEU H 2.884 . 3.883 4.021 3.525 4.224 0.341 1 0 "[ . 1 . 2]" 1
734 2 40 SER HA 2 40 SER HB2 2.222 . 2.811 2.613 2.429 2.973 0.162 5 0 "[ . 1 . 2]" 1
735 2 27 VAL H 2 27 VAL HA 2.521 . 3.281 2.706 2.217 2.921 . 0 0 "[ . 1 . 2]" 1
736 2 83 SER H 2 83 SER QB 2.360 . 2.861 2.152 2.084 2.257 . 0 0 "[ . 1 . 2]" 1
737 2 79 LYS H 2 79 LYS QG 2.658 . 3.506 2.272 1.998 2.980 . 0 0 "[ . 1 . 2]" 1
738 2 79 LYS H 2 79 LYS HA 2.678 . 3.538 2.782 2.760 2.817 . 0 0 "[ . 1 . 2]" 1
739 2 79 LYS H 2 79 LYS HE3 3.595 . 5.155 4.634 3.652 5.578 0.423 17 0 "[ . 1 . 2]" 1
740 2 15 ARG H 2 15 ARG HB3 2.672 . 3.565 3.355 2.510 3.881 0.316 17 0 "[ . 1 . 2]" 1
741 2 15 ARG H 2 15 ARG HB2 2.615 . 3.470 2.592 2.200 3.404 . 0 0 "[ . 1 . 2]" 1
742 2 26 GLU HA 2 26 GLU HG2 2.475 . 3.208 3.411 2.457 3.865 0.657 9 2 "[ - . +1 . 2]" 1
743 2 26 GLU HA 2 26 GLU HB3 2.144 . 2.692 2.326 2.185 2.891 0.199 9 0 "[ . 1 . 2]" 1
744 2 26 GLU HA 2 27 VAL H 2.458 . 3.181 3.211 1.939 3.426 0.245 9 0 "[ . 1 . 2]" 1
745 2 26 GLU HB2 2 27 VAL H 2.724 . 3.615 2.298 1.727 3.553 0.069 3 0 "[ . 1 . 2]" 1
746 2 26 GLU H 2 26 GLU HG3 2.972 . 4.033 2.977 1.942 4.087 0.054 15 0 "[ . 1 . 2]" 1
747 2 26 GLU H 2 26 GLU HB2 2.648 . 3.489 3.390 2.142 3.657 0.168 4 0 "[ . 1 . 2]" 1
748 2 26 GLU H 2 26 GLU HB3 2.539 . 3.312 3.138 2.122 3.570 0.258 16 0 "[ . 1 . 2]" 1
749 2 26 GLU HG2 2 27 VAL H 3.294 . 4.601 3.169 1.922 4.463 0.016 14 0 "[ . 1 . 2]" 1
750 2 27 VAL HA 2 28 THR H 2.379 . 3.055 2.780 2.371 3.144 0.089 10 0 "[ . 1 . 2]" 1
751 2 27 VAL QG 2 28 THR H 2.566 . 3.106 2.643 2.109 2.917 . 0 0 "[ . 1 . 2]" 1
752 2 27 VAL H 2 27 VAL QG 2.536 . 2.665 2.188 1.918 2.466 . 0 0 "[ . 1 . 2]" 1
753 2 26 GLU HB2 2 27 VAL QG 2.952 . 3.998 2.467 1.817 3.733 0.046 5 0 "[ . 1 . 2]" 1
754 2 26 GLU HG2 2 27 VAL QG 2.940 . 3.979 3.539 2.229 3.972 . 0 0 "[ . 1 . 2]" 1
755 2 26 GLU H 2 27 VAL QG 3.224 . 4.475 3.820 2.422 4.363 . 0 0 "[ . 1 . 2]" 1
756 2 31 LEU H 2 31 LEU HB2 2.519 . 3.279 2.356 2.099 3.262 . 0 0 "[ . 1 . 2]" 1
757 2 31 LEU HA 2 31 LEU MD2 2.671 . 3.526 3.163 2.308 3.502 . 0 0 "[ . 1 . 2]" 1
758 2 32 ASP H 2 32 ASP HB2 2.685 . 3.549 2.908 1.979 3.535 . 0 0 "[ . 1 . 2]" 1
759 2 32 ASP HB3 2 33 ASP H 2.724 . 3.614 3.321 2.281 3.748 0.134 11 0 "[ . 1 . 2]" 1
760 2 32 ASP H 2 32 ASP HB3 2.703 . 3.580 2.923 2.214 3.628 0.048 6 0 "[ . 1 . 2]" 1
761 2 34 LEU HB3 2 34 LEU MD2 2.529 . 3.328 2.544 2.497 2.582 . 0 0 "[ . 1 . 2]" 1
762 2 31 LEU HA 2 34 LEU MD1 2.723 . 3.611 2.181 2.058 2.324 . 0 0 "[ . 1 . 2]" 1
763 2 34 LEU MD1 2 97 GLU HG2 2.532 . 3.299 3.162 2.044 3.477 0.178 19 0 "[ . 1 . 2]" 1
764 2 31 LEU MD2 2 97 GLU HG3 2.941 . 3.981 3.893 3.665 4.044 0.063 1 0 "[ . 1 . 2]" 1
765 2 34 LEU HB3 2 34 LEU MD1 2.137 . 2.682 2.140 2.109 2.179 . 0 0 "[ . 1 . 2]" 1
766 2 34 LEU HB2 2 34 LEU MD1 2.091 . 2.612 2.463 2.422 2.491 . 0 0 "[ . 1 . 2]" 1
767 2 34 LEU MD1 2 34 LEU HG 1.963 . 2.421 2.109 2.098 2.115 . 0 0 "[ . 1 . 2]" 1
768 2 28 THR H 2 28 THR MG 2.322 . 2.966 2.379 1.843 2.954 . 0 0 "[ . 1 . 2]" 1
769 2 28 THR HB 2 29 GLY H 3.150 . 4.345 4.233 3.605 4.461 0.116 6 0 "[ . 1 . 2]" 1
770 2 28 THR H 2 28 THR HB 3.301 . 4.614 3.715 3.055 4.002 . 0 0 "[ . 1 . 2]" 1
771 2 28 THR HA 2 29 GLY H 2.915 . 3.936 2.645 2.083 3.477 . 0 0 "[ . 1 . 2]" 1
772 2 35 ILE H 2 35 ILE HA 2.533 . 3.301 2.734 2.723 2.749 . 0 0 "[ . 1 . 2]" 1
773 2 35 ILE HA 2 39 VAL H 3.141 . 4.329 4.272 4.180 4.336 0.007 6 0 "[ . 1 . 2]" 1
774 2 35 ILE HA 2 38 LEU H 2.811 . 3.760 3.816 3.772 3.850 0.090 20 0 "[ . 1 . 2]" 1
775 2 35 ILE HA 2 35 ILE HB 2.635 . 3.467 2.958 2.946 2.969 . 0 0 "[ . 1 . 2]" 1
776 2 35 ILE HA 2 35 ILE HG12 2.728 . 3.620 3.372 3.300 3.428 . 0 0 "[ . 1 . 2]" 1
777 2 35 ILE H 2 35 ILE HG13 2.518 . 3.276 3.295 3.173 3.351 0.075 16 0 "[ . 1 . 2]" 1
778 2 35 ILE HB 2 36 VAL H 2.516 . 3.273 2.456 2.349 2.517 . 0 0 "[ . 1 . 2]" 1
779 2 35 ILE H 2 35 ILE MG 2.581 . 3.413 3.513 3.461 3.542 0.129 18 0 "[ . 1 . 2]" 1
780 2 35 ILE MG 2 36 VAL H 2.648 . 3.489 2.478 2.383 2.536 . 0 0 "[ . 1 . 2]" 1
781 2 50 ARG HD2 2 124 LEU QB 2.896 . 3.905 2.790 2.065 3.345 . 0 0 "[ . 1 . 2]" 1
782 2 51 ASN H 2 122 LEU MD2 3.202 . 4.437 3.593 2.101 3.976 . 0 0 "[ . 1 . 2]" 1
783 2 116 ILE MG 2 118 LYS HB3 2.414 . 3.142 2.731 2.439 3.385 0.243 5 0 "[ . 1 . 2]" 1
784 2 117 PHE H 2 117 PHE HB3 2.870 . 3.859 3.627 3.602 3.646 . 0 0 "[ . 1 . 2]" 1
785 2 116 ILE HA 2 116 ILE HG12 2.639 . 3.473 2.382 2.051 2.423 . 0 0 "[ . 1 . 2]" 1
786 2 115 ILE H 2 115 ILE MD 2.720 . 3.608 3.278 3.080 3.477 . 0 0 "[ . 1 . 2]" 1
787 2 115 ILE H 2 115 ILE HG13 2.800 . 3.741 2.948 2.859 3.049 . 0 0 "[ . 1 . 2]" 1
788 2 58 LEU MD1 2 114 ARG HB3 2.718 . 3.604 3.627 1.841 3.790 0.186 15 0 "[ . 1 . 2]" 1
789 2 113 ARG HD3 2 114 ARG H 3.043 . 4.158 3.411 1.922 4.224 0.066 17 0 "[ . 1 . 2]" 1
790 2 113 ARG HD2 2 114 ARG H 2.841 . 3.810 2.613 1.828 3.640 0.036 8 0 "[ . 1 . 2]" 1
791 2 113 ARG HD3 2 113 ARG HE 2.810 . 3.758 2.677 2.264 2.930 . 0 0 "[ . 1 . 2]" 1
792 2 113 ARG HD2 2 113 ARG HE 2.705 . 3.583 2.804 2.243 2.942 . 0 0 "[ . 1 . 2]" 1
793 2 113 ARG H 2 113 ARG QB 3.062 . 4.190 2.458 2.355 2.624 . 0 0 "[ . 1 . 2]" 1
794 2 113 ARG QB 2 113 ARG QG 2.299 . 2.930 1.969 1.939 2.013 . 0 0 "[ . 1 . 2]" 1
795 2 112 GLN HB3 2 113 ARG H 2.735 . 3.632 3.547 3.449 3.642 0.010 2 0 "[ . 1 . 2]" 1
796 2 112 GLN HE21 2 112 GLN HG3 2.236 . 2.833 2.478 2.184 2.694 . 0 0 "[ . 1 . 2]" 1
797 2 112 GLN HB3 2 112 GLN HE21 3.698 . 5.350 3.382 3.152 3.612 . 0 0 "[ . 1 . 2]" 1
798 2 58 LEU MD1 2 112 GLN HG2 2.460 . 3.184 2.936 2.644 3.219 0.035 17 0 "[ . 1 . 2]" 1
799 2 58 LEU MD1 2 112 GLN HA 2.671 . 3.526 3.322 3.138 3.578 0.052 15 0 "[ . 1 . 2]" 1
800 2 58 LEU MD1 2 113 ARG H 2.508 . 3.260 3.066 2.807 3.298 0.038 13 0 "[ . 1 . 2]" 1
801 2 111 ARG H 2 111 ARG HA 2.545 . 3.322 2.705 2.652 2.725 . 0 0 "[ . 1 . 2]" 1
802 2 111 ARG H 2 111 ARG HD3 3.089 . 4.237 4.139 3.781 4.405 0.168 2 0 "[ . 1 . 2]" 1
803 2 111 ARG H 2 111 ARG HD2 3.170 . 4.380 4.480 4.267 4.676 0.296 8 0 "[ . 1 . 2]" 1
804 2 111 ARG H 2 111 ARG HG3 3.026 . 4.170 4.386 4.076 4.526 0.356 17 0 "[ . 1 . 2]" 1
805 2 111 ARG H 2 111 ARG HB2 2.792 . 3.728 2.784 1.871 3.262 . 0 0 "[ . 1 . 2]" 1
806 2 111 ARG HB2 2 112 GLN H 3.050 . 4.169 3.729 2.964 3.960 . 0 0 "[ . 1 . 2]" 1
807 2 61 MET H 2 111 ARG HA 2.567 . 3.358 3.323 3.170 3.449 0.091 2 0 "[ . 1 . 2]" 1
808 2 111 ARG HG2 2 112 GLN H 3.055 . 4.179 2.738 1.667 4.418 0.239 13 0 "[ . 1 . 2]" 1
809 2 110 TYR HA 2 113 ARG QB 3.110 . 4.274 2.188 1.843 3.064 0.067 13 0 "[ . 1 . 2]" 1
810 2 109 LEU H 2 109 LEU HA 2.534 . 3.303 2.890 2.884 2.901 . 0 0 "[ . 1 . 2]" 1
811 2 109 LEU H 2 109 LEU HB3 2.682 . 3.546 3.569 3.537 3.589 0.043 17 0 "[ . 1 . 2]" 1
812 2 109 LEU H 2 109 LEU QD 2.523 . 3.285 2.958 2.903 3.009 . 0 0 "[ . 1 . 2]" 1
813 2 109 LEU H 2 109 LEU HB2 2.487 . 3.226 2.521 2.464 2.566 . 0 0 "[ . 1 . 2]" 1
814 2 109 LEU H 2 109 LEU HG 2.484 . 3.223 2.042 1.959 2.148 . 0 0 "[ . 1 . 2]" 1
815 2 108 SER HB3 2 109 LEU H 2.423 . 3.125 2.468 2.348 2.563 . 0 0 "[ . 1 . 2]" 1
816 2 108 SER H 2 108 SER HB3 2.266 . 2.878 2.961 2.930 3.002 0.124 12 0 "[ . 1 . 2]" 1
817 2 108 SER HB2 2 109 LEU H 2.382 . 3.061 3.155 3.117 3.191 0.130 1 0 "[ . 1 . 2]" 1
818 2 106 PHE H 2 106 PHE HA 2.700 . 3.574 2.774 2.753 2.793 . 0 0 "[ . 1 . 2]" 1
819 2 106 PHE HA 2 109 LEU H 2.827 . 3.787 3.503 3.329 3.613 . 0 0 "[ . 1 . 2]" 1
820 2 106 PHE HB3 2 106 PHE QD 2.652 . 3.496 2.241 2.181 2.286 . 0 0 "[ . 1 . 2]" 1
821 2 101 LEU QD 2 106 PHE H 3.221 . 4.471 3.036 1.975 3.320 . 0 0 "[ . 1 . 2]" 1
822 2 105 THR HB 2 106 PHE H 2.943 . 3.984 2.519 2.424 2.727 . 0 0 "[ . 1 . 2]" 1
823 2 105 THR MG 2 106 PHE H 2.960 . 4.013 3.343 3.254 3.543 . 0 0 "[ . 1 . 2]" 1
824 2 105 THR HA 2 106 PHE H 3.043 . 4.157 3.466 3.417 3.484 . 0 0 "[ . 1 . 2]" 1
825 2 105 THR HA 2 109 LEU H 3.087 . 4.234 4.211 4.079 4.294 0.060 3 0 "[ . 1 . 2]" 1
826 2 105 THR MG 2 109 LEU H 2.998 . 4.079 4.134 4.096 4.167 0.088 17 0 "[ . 1 . 2]" 1
827 2 104 ALA H 2 104 ALA HA 2.689 . 3.556 2.822 2.786 2.887 . 0 0 "[ . 1 . 2]" 1
828 2 104 ALA HA 2 105 THR H 3.254 . 4.529 3.509 3.487 3.538 . 0 0 "[ . 1 . 2]" 1
829 2 104 ALA HA 2 107 ASP HB3 2.745 . 3.650 2.684 2.584 2.930 . 0 0 "[ . 1 . 2]" 1
830 2 104 ALA MB 2 107 ASP HB3 2.896 . 3.905 3.980 3.929 4.023 0.118 11 0 "[ . 1 . 2]" 1
831 2 104 ALA H 2 104 ALA MB 1.869 . 2.284 2.210 2.190 2.231 . 0 0 "[ . 1 . 2]" 1
832 2 104 ALA MB 2 105 THR H 2.172 . 2.734 2.780 2.751 2.805 0.071 20 0 "[ . 1 . 2]" 1
833 2 104 ALA MB 2 107 ASP H 3.261 . 4.542 4.561 4.473 4.599 0.057 1 0 "[ . 1 . 2]" 1
834 2 104 ALA HA 2 104 ALA MB 1.699 . 2.040 2.108 2.103 2.113 0.073 8 0 "[ . 1 . 2]" 1
835 2 103 ARG HB2 2 104 ALA H 2.811 . 3.761 3.091 2.365 3.814 0.053 8 0 "[ . 1 . 2]" 1
836 2 103 ARG H 2 103 ARG HB2 2.573 . 3.366 2.386 2.020 2.547 . 0 0 "[ . 1 . 2]" 1
837 2 103 ARG H 2 103 ARG HB3 2.628 . 3.455 3.071 2.489 3.523 0.068 13 0 "[ . 1 . 2]" 1
838 2 103 ARG H 2 103 ARG HG3 3.277 . 4.572 4.003 3.370 4.492 . 0 0 "[ . 1 . 2]" 1
839 2 103 ARG HG3 2 104 ALA H 3.313 . 4.636 4.311 3.619 4.791 0.155 9 0 "[ . 1 . 2]" 1
840 2 103 ARG HG2 2 104 ALA H 3.259 . 4.539 4.430 4.015 4.757 0.218 12 0 "[ . 1 . 2]" 1
841 2 103 ARG HA 2 103 ARG HG3 2.597 . 3.405 3.274 2.487 3.636 0.231 15 0 "[ . 1 . 2]" 1
842 2 103 ARG QD 2 103 ARG HG3 2.405 . 2.898 2.305 2.134 2.382 . 0 0 "[ . 1 . 2]" 1
843 2 103 ARG HB3 2 103 ARG QD 2.769 . 3.689 2.902 2.339 3.319 . 0 0 "[ . 1 . 2]" 1
844 2 102 PRO HB3 2 102 PRO HD2 2.781 . 3.709 3.789 3.767 3.797 0.088 8 0 "[ . 1 . 2]" 1
845 2 102 PRO HB3 2 105 THR HB 2.761 . 3.714 3.860 3.822 3.902 0.188 5 0 "[ . 1 . 2]" 1
846 2 102 PRO HD2 2 102 PRO HG2 2.290 . 2.916 2.309 2.297 2.327 . 0 0 "[ . 1 . 2]" 1
847 2 102 PRO HG3 2 105 THR HB 2.935 . 3.970 4.061 4.044 4.075 0.105 3 0 "[ . 1 . 2]" 1
848 2 102 PRO HD3 2 102 PRO HG3 2.310 . 2.947 2.250 2.239 2.263 . 0 0 "[ . 1 . 2]" 1
849 2 102 PRO HB3 2 102 PRO HG2 2.350 . 3.010 2.607 2.562 2.620 . 0 0 "[ . 1 . 2]" 1
850 2 102 PRO HB3 2 102 PRO HG3 2.337 . 2.989 2.340 2.320 2.350 . 0 0 "[ . 1 . 2]" 1
851 2 102 PRO HB2 2 102 PRO HD2 2.709 . 3.589 2.738 2.683 2.759 . 0 0 "[ . 1 . 2]" 1
852 2 102 PRO HB2 2 102 PRO HD3 2.615 . 3.435 3.699 3.668 3.710 0.275 13 0 "[ . 1 . 2]" 1
853 2 102 PRO HG2 2 105 THR H 2.998 . 4.078 3.986 3.848 4.110 0.032 12 0 "[ . 1 . 2]" 1
854 2 102 PRO HB3 2 105 THR H 2.811 . 3.760 3.340 3.169 3.433 . 0 0 "[ . 1 . 2]" 1
855 2 102 PRO HB2 2 105 THR H 2.615 . 3.435 1.887 1.752 1.993 0.016 11 0 "[ . 1 . 2]" 1
856 2 102 PRO HB3 2 102 PRO HD3 2.974 . 4.038 4.006 3.999 4.016 . 0 0 "[ . 1 . 2]" 1
857 2 102 PRO HD3 2 105 THR HB 2.788 . 3.721 3.495 3.430 3.550 . 0 0 "[ . 1 . 2]" 1
858 2 102 PRO HB3 2 104 ALA H 3.055 . 4.178 3.450 3.033 3.691 . 0 0 "[ . 1 . 2]" 1
859 2 102 PRO HB3 2 103 ARG H 2.769 . 3.690 3.599 3.462 3.713 0.023 12 0 "[ . 1 . 2]" 1
860 2 102 PRO HB2 2 103 ARG H 3.110 . 4.273 3.881 3.841 3.933 . 0 0 "[ . 1 . 2]" 1
861 2 102 PRO HB2 2 104 ALA MB 2.787 . 3.720 3.164 3.030 3.282 . 0 0 "[ . 1 . 2]" 1
862 2 101 LEU QD 2 102 PRO HG2 2.820 . 3.775 3.568 3.480 3.859 0.084 16 0 "[ . 1 . 2]" 1
863 2 101 LEU QD 2 102 PRO HG3 2.919 . 3.943 4.109 4.068 4.145 0.202 4 0 "[ . 1 . 2]" 1
864 2 60 GLU HG3 2 69 ASN HB2 3.352 . 4.707 4.210 3.824 4.387 . 0 0 "[ . 1 . 2]" 1
865 2 60 GLU HG2 2 69 ASN HB3 2.934 . 3.968 4.068 3.958 4.383 0.415 15 0 "[ . 1 . 2]" 1
866 2 60 GLU HG3 2 61 MET H 3.139 . 4.324 4.476 4.438 4.531 0.207 17 0 "[ . 1 . 2]" 1
867 2 60 GLU HG2 2 61 MET H 2.836 . 3.802 3.640 3.513 3.810 0.008 1 0 "[ . 1 . 2]" 1
868 2 60 GLU HG2 2 112 GLN HE21 2.869 . 3.858 4.036 3.966 4.110 0.252 4 0 "[ . 1 . 2]" 1
869 2 56 GLU QG 2 57 VAL H 3.034 . 4.141 3.096 2.799 3.654 . 0 0 "[ . 1 . 2]" 1
870 2 60 GLU H 2 60 GLU HG3 2.892 . 3.897 3.544 3.418 3.692 . 0 0 "[ . 1 . 2]" 1
871 2 69 ASN HB2 2 70 ALA H 2.696 . 3.568 3.805 3.782 3.851 0.283 15 0 "[ . 1 . 2]" 1
872 2 69 ASN HB2 2 69 ASN HD21 2.607 . 3.422 2.693 2.230 2.898 . 0 0 "[ . 1 . 2]" 1
873 2 69 ASN H 2 69 ASN HB2 2.713 . 3.595 3.046 2.789 3.128 . 0 0 "[ . 1 . 2]" 1
874 2 69 ASN HB3 2 70 ALA H 2.708 . 3.588 2.860 2.517 2.970 . 0 0 "[ . 1 . 2]" 1
875 2 69 ASN H 2 69 ASN HB3 2.669 . 3.524 3.295 3.195 3.527 0.003 14 0 "[ . 1 . 2]" 1
876 2 69 ASN HB3 2 69 ASN HD21 2.624 . 3.450 2.350 2.146 2.863 . 0 0 "[ . 1 . 2]" 1
877 2 69 ASN HB2 2 69 ASN HD22 2.749 . 3.657 3.660 3.454 3.745 0.088 18 0 "[ . 1 . 2]" 1
878 2 69 ASN HB3 2 69 ASN HD22 2.699 . 3.573 3.507 3.411 3.728 0.155 12 0 "[ . 1 . 2]" 1
879 2 60 GLU H 2 69 ASN HB2 3.263 . 4.547 4.473 4.222 4.653 0.106 18 0 "[ . 1 . 2]" 1
880 2 60 GLU H 2 69 ASN HB3 3.068 . 4.201 3.532 3.364 3.834 . 0 0 "[ . 1 . 2]" 1
881 2 59 ILE HB 2 59 ILE HG12 2.381 . 3.058 2.432 2.234 2.909 . 0 0 "[ . 1 . 2]" 1
882 2 59 ILE HG13 2 59 ILE MG 2.013 . 2.495 2.237 1.918 3.108 0.613 1 1 "[+ . 1 . 2]" 1
883 2 57 VAL MG1 2 115 ILE MG 2.956 . 4.006 4.079 4.032 4.147 0.141 6 0 "[ . 1 . 2]" 1
884 2 57 VAL HB 2 57 VAL MG1 2.031 . 2.522 2.133 2.124 2.139 . 0 0 "[ . 1 . 2]" 1
885 2 57 VAL HA 2 57 VAL MG2 2.275 . 2.892 2.304 2.284 2.337 . 0 0 "[ . 1 . 2]" 1
886 2 57 VAL H 2 57 VAL HB 2.509 . 3.262 2.486 2.423 2.644 . 0 0 "[ . 1 . 2]" 1
887 2 57 VAL HB 2 115 ILE H 3.127 . 4.303 3.211 2.910 3.440 . 0 0 "[ . 1 . 2]" 1
888 2 57 VAL H 2 57 VAL MG1 2.785 . 3.716 3.746 3.710 3.814 0.098 15 0 "[ . 1 . 2]" 1
889 2 57 VAL H 2 57 VAL MG2 2.550 . 3.329 2.855 2.737 2.943 . 0 0 "[ . 1 . 2]" 1
890 2 56 GLU HA 2 57 VAL H 2.357 . 3.021 2.075 2.018 2.105 . 0 0 "[ . 1 . 2]" 1
891 2 56 GLU HA 2 57 VAL MG2 3.204 . 4.441 3.670 3.504 3.775 . 0 0 "[ . 1 . 2]" 1
892 2 56 GLU HA 2 57 VAL HB 3.073 . 4.209 4.328 4.274 4.353 0.144 18 0 "[ . 1 . 2]" 1
893 2 56 GLU H 2 56 GLU HB2 2.947 . 3.991 2.435 2.336 2.513 . 0 0 "[ . 1 . 2]" 1
894 2 56 GLU HB3 2 57 VAL H 3.330 . 4.667 3.936 3.722 4.065 . 0 0 "[ . 1 . 2]" 1
895 2 56 GLU HB2 2 57 VAL H 3.431 . 4.850 4.442 4.286 4.502 . 0 0 "[ . 1 . 2]" 1
896 2 56 GLU HA 2 56 GLU HB3 2.967 . 4.026 2.973 2.939 3.005 . 0 0 "[ . 1 . 2]" 1
897 2 56 GLU HA 2 56 GLU HB2 2.872 . 3.864 2.699 2.658 2.753 . 0 0 "[ . 1 . 2]" 1
898 2 54 SER HA 2 55 VAL H 2.211 . 2.794 2.180 2.120 2.234 . 0 0 "[ . 1 . 2]" 1
899 2 54 SER HB3 2 55 VAL H 2.594 . 3.399 3.568 3.415 3.641 0.242 5 0 "[ . 1 . 2]" 1
900 2 54 SER HB2 2 55 VAL H 2.522 . 3.284 2.593 2.334 3.515 0.231 4 0 "[ . 1 . 2]" 1
901 2 54 SER H 2 54 SER HA 2.874 . 3.867 2.872 2.795 2.904 . 0 0 "[ . 1 . 2]" 1
902 2 54 SER HA 2 54 SER HB3 2.324 . 2.969 2.373 2.286 3.005 0.036 4 0 "[ . 1 . 2]" 1
903 2 54 SER HA 2 54 SER HB2 2.313 . 2.952 2.523 2.394 2.597 . 0 0 "[ . 1 . 2]" 1
904 2 54 SER HB3 2 118 LYS HA 2.893 . 3.898 2.706 2.320 3.917 0.019 4 0 "[ . 1 . 2]" 1
905 2 54 SER HB2 2 118 LYS HA 3.027 . 4.129 3.639 2.219 4.068 . 0 0 "[ . 1 . 2]" 1
906 2 54 SER HA 2 119 PRO HD3 3.288 . 4.591 4.334 3.507 4.621 0.030 14 0 "[ . 1 . 2]" 1
907 2 54 SER HB2 2 118 LYS HB2 2.856 . 3.836 2.602 1.796 3.574 0.040 4 0 "[ . 1 . 2]" 1
908 2 54 SER HB2 2 118 LYS QG 2.843 . 3.814 3.489 1.991 3.873 0.059 17 0 "[ . 1 . 2]" 1
909 2 54 SER HB3 2 118 LYS HB2 2.728 . 3.621 2.155 1.826 3.678 0.057 8 0 "[ . 1 . 2]" 1
910 2 53 MET HA 2 53 MET HB3 2.770 . 3.691 2.708 2.622 2.809 . 0 0 "[ . 1 . 2]" 1
911 2 53 MET HB3 2 54 SER H 3.073 . 4.209 4.015 3.017 4.365 0.156 15 0 "[ . 1 . 2]" 1
912 2 53 MET HB3 2 53 MET QG 2.393 . 3.077 2.292 2.254 2.367 . 0 0 "[ . 1 . 2]" 1
913 2 52 GLY H 2 52 GLY QA 2.483 . 3.221 2.408 2.091 2.486 . 0 0 "[ . 1 . 2]" 1
914 2 51 ASN HB3 2 51 ASN HD21 2.656 . 3.501 3.041 2.153 3.431 . 0 0 "[ . 1 . 2]" 1
915 2 51 ASN HB2 2 51 ASN HD21 2.557 . 3.340 2.408 2.178 3.423 0.083 4 0 "[ . 1 . 2]" 1
916 2 51 ASN HB3 2 51 ASN HD22 2.821 . 3.776 3.825 3.426 4.000 0.224 16 0 "[ . 1 . 2]" 1
917 2 51 ASN HB2 2 51 ASN HD22 2.848 . 3.823 3.552 3.426 3.974 0.151 4 0 "[ . 1 . 2]" 1
918 2 51 ASN HB2 2 52 GLY H 3.012 . 4.104 4.153 3.232 4.288 0.184 6 0 "[ . 1 . 2]" 1
919 2 51 ASN HB3 2 52 GLY H 2.939 . 3.977 4.070 3.043 4.252 0.275 12 0 "[ . 1 . 2]" 1
920 2 51 ASN H 2 51 ASN HB3 2.647 . 3.487 3.360 2.739 3.680 0.193 18 0 "[ . 1 . 2]" 1
921 2 51 ASN H 2 51 ASN HB2 2.619 . 3.442 2.251 1.992 3.517 0.075 15 0 "[ . 1 . 2]" 1
922 2 51 ASN HA 2 51 ASN HB3 2.371 . 3.043 2.643 2.332 2.914 . 0 0 "[ . 1 . 2]" 1
923 2 50 ARG HB2 2 50 ARG HD2 2.861 . 3.843 3.677 3.570 3.741 . 0 0 "[ . 1 . 2]" 1
924 2 50 ARG HB2 2 50 ARG HD3 3.115 . 4.282 3.826 3.700 4.208 . 0 0 "[ . 1 . 2]" 1
925 2 50 ARG HB3 2 50 ARG HD2 2.792 . 3.728 2.492 2.327 2.568 . 0 0 "[ . 1 . 2]" 1
926 2 50 ARG HB3 2 50 ARG HD3 2.701 . 3.576 3.173 2.947 3.623 0.047 10 0 "[ . 1 . 2]" 1
927 2 49 ALA HA 2 122 LEU MD2 3.203 . 4.438 4.444 3.999 4.540 0.102 7 0 "[ . 1 . 2]" 1
928 2 49 ALA MB 2 122 LEU MD2 2.189 . 2.760 2.518 2.147 2.698 . 0 0 "[ . 1 . 2]" 1
929 2 49 ALA MB 2 53 MET ME 2.766 . 3.684 3.763 3.413 3.875 0.191 18 0 "[ . 1 . 2]" 1
930 2 46 PRO HD3 2 49 ALA MB 2.649 . 3.490 3.024 2.696 3.324 . 0 0 "[ . 1 . 2]" 1
931 2 48 SER HA 2 48 SER HB3 1.932 . 2.375 2.379 2.348 2.402 0.027 16 0 "[ . 1 . 2]" 1
932 2 48 SER H 2 48 SER HA 2.686 . 3.551 2.893 2.882 2.918 . 0 0 "[ . 1 . 2]" 1
933 2 48 SER H 2 48 SER HB2 2.812 . 3.761 3.576 3.524 3.638 . 0 0 "[ . 1 . 2]" 1
934 2 47 PRO HA 2 47 PRO HB3 1.958 . 2.414 2.250 2.199 2.273 . 0 0 "[ . 1 . 2]" 1
935 2 47 PRO HA 2 47 PRO QG 2.653 . 3.496 3.296 3.066 3.413 . 0 0 "[ . 1 . 2]" 1
936 2 46 PRO HA 2 47 PRO QG 2.761 . 3.677 3.588 3.551 3.614 . 0 0 "[ . 1 . 2]" 1
937 2 36 VAL H 2 36 VAL HA 2.495 . 3.241 2.796 2.777 2.807 . 0 0 "[ . 1 . 2]" 1
938 2 36 VAL H 2 36 VAL MG1 2.438 . 3.150 3.441 3.414 3.469 0.319 15 0 "[ . 1 . 2]" 1
939 2 36 VAL H 2 36 VAL HB 2.296 . 2.925 1.868 1.828 1.907 . 0 0 "[ . 1 . 2]" 1
940 2 36 VAL H 2 36 VAL MG2 2.037 . 2.530 2.376 2.312 2.432 . 0 0 "[ . 1 . 2]" 1
941 2 36 VAL HB 2 37 ASN H 2.439 . 3.151 2.568 2.530 2.610 . 0 0 "[ . 1 . 2]" 1
942 2 36 VAL HA 2 37 ASN H 2.869 . 3.857 3.506 3.473 3.523 . 0 0 "[ . 1 . 2]" 1
943 2 36 VAL HA 2 39 VAL H 2.972 . 4.034 3.246 3.204 3.361 . 0 0 "[ . 1 . 2]" 1
944 2 36 VAL HA 2 40 SER H 3.308 . 4.626 4.173 4.060 4.259 . 0 0 "[ . 1 . 2]" 1
945 2 36 VAL HB 2 36 VAL MG2 1.941 . 2.388 2.076 2.067 2.085 . 0 0 "[ . 1 . 2]" 1
946 2 36 VAL HA 2 36 VAL MG2 2.069 . 2.579 2.097 2.069 2.126 . 0 0 "[ . 1 . 2]" 1
947 2 36 VAL MG1 2 37 ASN HA 2.435 . 3.144 3.166 3.115 3.208 0.064 4 0 "[ . 1 . 2]" 1
948 2 37 ASN HA 2 37 ASN HB2 2.156 . 2.711 2.466 2.437 2.499 . 0 0 "[ . 1 . 2]" 1
949 2 34 LEU HA 2 37 ASN HB2 2.349 . 3.009 2.469 2.363 2.537 . 0 0 "[ . 1 . 2]" 1
950 2 37 ASN HA 2 37 ASN HB3 2.163 . 2.720 3.002 2.995 3.011 0.291 13 0 "[ . 1 . 2]" 1
951 2 37 ASN HB2 2 37 ASN HD22 2.900 . 3.910 4.024 4.010 4.036 0.126 16 0 "[ . 1 . 2]" 1
952 2 37 ASN HB2 2 37 ASN HD21 2.758 . 3.670 3.448 3.411 3.500 . 0 0 "[ . 1 . 2]" 1
953 2 37 ASN HB3 2 37 ASN HD21 2.732 . 3.628 2.381 2.206 2.997 . 0 0 "[ . 1 . 2]" 1
954 2 37 ASN H 2 37 ASN HB2 2.106 . 2.634 2.379 2.310 2.422 . 0 0 "[ . 1 . 2]" 1
955 2 37 ASN H 2 37 ASN HB3 2.141 . 2.688 2.438 2.373 2.502 . 0 0 "[ . 1 . 2]" 1
956 2 37 ASN HB2 2 38 LEU H 2.444 . 3.158 3.314 3.289 3.336 0.178 14 0 "[ . 1 . 2]" 1
957 2 37 ASN HB3 2 38 LEU H 2.400 . 3.088 1.991 1.936 2.068 . 0 0 "[ . 1 . 2]" 1
958 2 36 VAL HB 2 37 ASN HB2 3.086 . 4.231 4.293 4.219 4.336 0.105 1 0 "[ . 1 . 2]" 1
959 2 34 LEU HB3 2 37 ASN HB3 2.777 . 3.704 4.001 3.952 4.047 0.343 13 0 "[ . 1 . 2]" 1
960 2 34 LEU MD2 2 37 ASN HB2 2.469 . 3.199 3.173 3.069 3.242 0.043 20 0 "[ . 1 . 2]" 1
961 2 38 LEU MD1 2 96 PRO QD 2.604 . 3.451 1.907 1.775 2.201 . 0 0 "[ . 1 . 2]" 1
962 2 38 LEU MD2 2 38 LEU HG 1.880 . 2.299 2.115 2.110 2.120 . 0 0 "[ . 1 . 2]" 1
963 2 38 LEU HB3 2 38 LEU HG 2.491 . 3.234 2.998 2.995 3.002 . 0 0 "[ . 1 . 2]" 1
964 2 38 LEU HB2 2 38 LEU MD1 2.067 . 2.601 2.329 2.310 2.350 . 0 0 "[ . 1 . 2]" 1
965 2 38 LEU HB3 2 38 LEU MD2 2.108 . 2.638 2.321 2.284 2.344 . 0 0 "[ . 1 . 2]" 1
966 2 35 ILE HA 2 38 LEU MD1 2.637 . 3.470 2.057 1.921 2.220 . 0 0 "[ . 1 . 2]" 1
967 2 35 ILE HA 2 38 LEU HB2 2.882 . 3.920 2.830 2.730 2.905 . 0 0 "[ . 1 . 2]" 1
968 2 35 ILE HA 2 38 LEU HB3 3.118 . 4.287 4.265 4.159 4.324 0.037 14 0 "[ . 1 . 2]" 1
969 2 38 LEU H 2 38 LEU MD1 2.490 . 3.233 3.270 3.242 3.295 0.062 9 0 "[ . 1 . 2]" 1
970 2 38 LEU H 2 38 LEU MD2 2.395 . 3.080 3.147 3.117 3.167 0.087 20 0 "[ . 1 . 2]" 1
971 2 38 LEU H 2 38 LEU HB2 2.515 . 3.273 2.385 2.338 2.432 . 0 0 "[ . 1 . 2]" 1
972 2 38 LEU H 2 38 LEU HA 2.366 . 3.036 2.793 2.780 2.804 . 0 0 "[ . 1 . 2]" 1
973 2 38 LEU HB2 2 39 VAL H 2.781 . 3.709 2.467 2.389 2.531 . 0 0 "[ . 1 . 2]" 1
974 2 38 LEU HB3 2 39 VAL H 2.929 . 3.961 3.541 3.479 3.603 . 0 0 "[ . 1 . 2]" 1
975 2 66 THR HA 2 67 ILE H 2.014 . 2.496 2.014 1.983 2.059 . 0 0 "[ . 1 . 2]" 1
976 2 66 THR HA 2 66 THR HB 2.661 . 3.511 2.933 2.835 3.010 . 0 0 "[ . 1 . 2]" 1
977 2 68 THR HA 2 68 THR HB 2.153 . 2.705 2.433 2.401 2.461 . 0 0 "[ . 1 . 2]" 1
978 2 68 THR HA 2 68 THR MG 1.948 . 2.399 2.409 2.386 2.430 0.031 10 0 "[ . 1 . 2]" 1
979 2 68 THR HB 2 68 THR MG 1.907 . 2.338 2.147 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
980 2 62 LEU HA 2 68 THR MG 3.345 . 4.743 3.218 2.640 3.871 . 0 0 "[ . 1 . 2]" 1
981 2 66 THR HB 2 68 THR MG 2.508 . 3.262 3.315 3.251 3.377 0.115 15 0 "[ . 1 . 2]" 1
982 2 38 LEU HA 2 41 GLN H 2.878 . 3.874 3.607 3.517 3.743 . 0 0 "[ . 1 . 2]" 1
983 2 38 LEU HA 2 39 VAL H 3.069 . 4.202 3.534 3.512 3.557 . 0 0 "[ . 1 . 2]" 1
984 2 76 SER QB 2 76 SER HG 2.890 . 3.767 2.110 2.015 2.191 . 0 0 "[ . 1 . 2]" 1
985 2 86 VAL HA 2 90 ARG H 3.120 . 4.292 3.793 3.739 3.830 . 0 0 "[ . 1 . 2]" 1
986 2 73 SER H 2 73 SER QB 2.432 . 3.080 2.217 2.066 2.757 . 0 0 "[ . 1 . 2]" 1
987 2 91 ASN HB2 2 92 VAL H 2.777 . 3.702 3.892 3.777 3.942 0.240 9 0 "[ . 1 . 2]" 1
988 2 91 ASN HB3 2 92 VAL H 2.848 . 3.821 3.067 2.915 3.435 . 0 0 "[ . 1 . 2]" 1
989 2 91 ASN HB3 2 91 ASN HD21 2.713 . 3.596 2.398 2.254 2.869 . 0 0 "[ . 1 . 2]" 1
990 2 91 ASN HB2 2 91 ASN HD21 2.557 . 3.340 2.721 2.248 2.880 . 0 0 "[ . 1 . 2]" 1
991 2 91 ASN HB3 2 91 ASN HD22 2.773 . 3.697 3.545 3.481 3.749 0.052 17 0 "[ . 1 . 2]" 1
992 2 91 ASN HB2 2 91 ASN HD22 2.721 . 3.609 3.689 3.483 3.758 0.149 1 0 "[ . 1 . 2]" 1
993 2 66 THR HA 2 67 ILE HB 2.852 . 3.828 3.968 3.920 3.992 0.164 20 0 "[ . 1 . 2]" 1
994 2 67 ILE HB 2 93 GLY HA3 3.196 . 4.426 3.583 3.497 3.749 . 0 0 "[ . 1 . 2]" 1
995 2 67 ILE HB 2 93 GLY HA2 3.183 . 4.403 1.954 1.871 2.102 0.046 20 0 "[ . 1 . 2]" 1
996 2 67 ILE H 2 67 ILE HB 2.255 . 2.861 2.013 1.955 2.057 . 0 0 "[ . 1 . 2]" 1
997 2 67 ILE HB 2 68 THR H 3.422 . 4.834 4.438 4.399 4.466 . 0 0 "[ . 1 . 2]" 1
998 2 67 ILE MG 2 93 GLY HA2 2.772 . 3.694 3.048 2.972 3.135 . 0 0 "[ . 1 . 2]" 1
999 2 93 GLY H 2 93 GLY HA2 2.141 . 2.688 2.248 2.229 2.290 . 0 0 "[ . 1 . 2]" 1
1000 2 67 ILE H 2 93 GLY HA2 3.268 . 4.556 3.001 2.684 3.323 . 0 0 "[ . 1 . 2]" 1
1001 2 67 ILE MG 2 68 THR H 2.378 . 3.054 3.054 2.924 3.107 0.053 11 0 "[ . 1 . 2]" 1
1002 2 67 ILE MG 2 93 GLY HA3 3.103 . 4.262 4.429 4.391 4.507 0.245 19 0 "[ . 1 . 2]" 1
1003 2 67 ILE MG 2 69 ASN H 2.263 . 2.874 2.780 2.608 2.893 0.019 11 0 "[ . 1 . 2]" 1
1004 2 98 MET H 2 98 MET HA 2.580 . 3.377 2.809 2.773 2.848 . 0 0 "[ . 1 . 2]" 1
1005 2 98 MET H 2 98 MET HG3 2.724 . 3.613 3.539 3.280 3.723 0.110 18 0 "[ . 1 . 2]" 1
1006 2 98 MET H 2 98 MET HG2 2.435 . 3.144 2.309 1.802 3.347 0.203 11 0 "[ . 1 . 2]" 1
1007 2 98 MET H 2 98 MET HB2 2.335 . 2.986 2.549 2.351 2.887 . 0 0 "[ . 1 . 2]" 1
1008 2 65 GLY H 2 98 MET HG3 3.499 . 4.975 3.677 2.708 4.463 . 0 0 "[ . 1 . 2]" 1
1009 2 98 MET HA 2 98 MET HG2 2.796 . 3.734 3.344 2.978 3.701 . 0 0 "[ . 1 . 2]" 1
1010 2 98 MET H 2 98 MET ME 2.637 . 3.471 3.544 3.331 3.689 0.218 17 0 "[ . 1 . 2]" 1
1011 2 65 GLY H 2 65 GLY HA2 2.406 . 3.098 2.291 2.259 2.331 . 0 0 "[ . 1 . 2]" 1
1012 2 65 GLY HA2 2 95 ILE H 2.880 . 3.877 3.483 3.104 3.796 . 0 0 "[ . 1 . 2]" 1
1013 2 65 GLY HA2 2 66 THR H 3.090 . 4.239 3.341 3.267 3.410 . 0 0 "[ . 1 . 2]" 1
1014 2 65 GLY HA2 2 98 MET H 3.315 . 4.640 4.753 4.697 4.794 0.154 7 0 "[ . 1 . 2]" 1
1015 2 65 GLY HA2 2 98 MET HG3 2.739 . 3.640 2.126 1.753 3.285 0.048 18 0 "[ . 1 . 2]" 1
1016 2 98 MET ME 2 110 TYR H 3.090 . 4.239 4.318 3.900 4.458 0.219 18 0 "[ . 1 . 2]" 1
1017 2 97 GLU HA 2 100 GLN HG3 2.230 . 2.852 2.465 1.956 2.908 0.056 2 0 "[ . 1 . 2]" 1
1018 2 97 GLU HA 2 97 GLU HG2 2.082 . 2.598 2.565 2.159 3.438 0.840 12 3 "[ . - + *. 2]" 1
1019 2 97 GLU HA 2 97 GLU QB 2.165 . 2.725 2.340 2.272 2.422 . 0 0 "[ . 1 . 2]" 1
1020 2 97 GLU HA 2 97 GLU HG3 2.394 . 3.079 3.092 2.144 3.423 0.344 6 0 "[ . 1 . 2]" 1
1021 2 97 GLU QB 2 97 GLU HG3 2.500 . 3.249 2.248 2.139 2.393 . 0 0 "[ . 1 . 2]" 1
1022 2 97 GLU QB 2 97 GLU HG2 2.617 . 3.422 2.358 2.126 2.496 . 0 0 "[ . 1 . 2]" 1
1023 2 68 THR H 2 68 THR MG 2.355 . 3.018 2.323 2.254 2.396 . 0 0 "[ . 1 . 2]" 1
1024 2 68 THR H 2 68 THR HB 3.124 . 4.298 3.649 3.624 3.672 . 0 0 "[ . 1 . 2]" 1
1025 2 68 THR HG1 2 68 THR MG 2.712 . 3.594 2.528 2.134 3.027 . 0 0 "[ . 1 . 2]" 1
1026 2 69 ASN HA 2 69 ASN HB2 2.218 . 2.805 2.703 2.661 2.851 0.046 15 0 "[ . 1 . 2]" 1
1027 2 69 ASN HA 2 69 ASN HB3 2.262 . 2.872 2.923 2.814 2.952 0.080 4 0 "[ . 1 . 2]" 1
1028 2 70 ALA HA 2 70 ALA MB 1.990 . 2.461 2.141 2.134 2.147 . 0 0 "[ . 1 . 2]" 1
1029 2 70 ALA MB 2 71 SER H 2.396 . 3.082 3.050 2.909 3.131 0.049 18 0 "[ . 1 . 2]" 1
1030 2 70 ALA H 2 70 ALA MB 2.396 . 3.083 2.833 2.798 2.899 . 0 0 "[ . 1 . 2]" 1
1031 2 71 SER HB3 2 72 VAL HB 3.127 . 4.305 4.485 4.443 4.532 0.227 14 0 "[ . 1 . 2]" 1
1032 2 71 SER HB3 2 72 VAL H 2.426 . 3.130 2.682 2.623 2.751 . 0 0 "[ . 1 . 2]" 1
1033 2 71 SER HB2 2 72 VAL H 2.301 . 2.933 2.538 2.467 2.652 . 0 0 "[ . 1 . 2]" 1
1034 2 71 SER H 2 71 SER HB3 2.626 . 3.452 3.741 3.720 3.765 0.313 16 0 "[ . 1 . 2]" 1
1035 2 71 SER H 2 71 SER HB2 2.525 . 3.289 3.319 3.279 3.353 0.064 14 0 "[ . 1 . 2]" 1
1036 2 72 VAL QG 2 73 SER H 2.267 . 2.880 2.804 2.779 2.823 . 0 0 "[ . 1 . 2]" 1
1037 2 72 VAL QG 2 82 ASP HB2 . . 2.742 2.473 1.654 2.922 0.180 9 0 "[ . 1 . 2]" 1
1038 2 72 VAL H 2 72 VAL HB 2.176 . 2.742 2.085 2.053 2.105 . 0 0 "[ . 1 . 2]" 1
1039 2 72 VAL HB 2 73 SER H 2.977 . 4.042 4.289 4.276 4.300 0.258 6 0 "[ . 1 . 2]" 1
1040 2 72 VAL H 2 72 VAL HA 2.694 . 3.566 2.878 2.860 2.888 . 0 0 "[ . 1 . 2]" 1
1041 2 72 VAL HA 2 73 SER H 2.060 . 2.565 2.017 1.998 2.039 . 0 0 "[ . 1 . 2]" 1
1042 2 58 LEU HB3 2 73 SER QB 2.684 . 3.420 3.032 2.600 3.175 . 0 0 "[ . 1 . 2]" 1
1043 2 58 LEU MD2 2 73 SER QB 2.543 . 3.318 2.917 2.692 3.150 . 0 0 "[ . 1 . 2]" 1
1044 2 58 LEU H 2 58 LEU MD1 2.759 . 3.673 3.852 3.790 3.908 0.235 18 0 "[ . 1 . 2]" 1
1045 2 58 LEU MD1 2 59 ILE H 2.303 . 2.936 2.467 1.899 2.783 . 0 0 "[ . 1 . 2]" 1
1046 2 58 LEU MD1 2 112 GLN HE21 3.082 . 4.225 4.325 4.167 4.441 0.216 12 0 "[ . 1 . 2]" 1
1047 2 58 LEU MD1 2 112 GLN HE22 3.454 . 4.893 4.666 4.353 4.871 . 0 0 "[ . 1 . 2]" 1
1048 2 58 LEU MD1 2 114 ARG HD2 3.017 . 4.111 3.365 3.253 4.130 0.019 13 0 "[ . 1 . 2]" 1
1049 2 50 ARG HD3 2 50 ARG HG2 2.495 . 3.239 2.405 2.268 2.501 . 0 0 "[ . 1 . 2]" 1
1050 2 53 MET ME 2 81 PHE HB2 2.377 . 3.053 2.842 2.514 3.072 0.019 18 0 "[ . 1 . 2]" 1
1051 2 53 MET ME 2 81 PHE HB3 2.502 . 3.252 2.923 2.680 3.133 . 0 0 "[ . 1 . 2]" 1
1052 2 53 MET ME 2 54 SER H 3.012 . 4.103 3.669 3.364 4.016 . 0 0 "[ . 1 . 2]" 1
1053 2 53 MET ME 2 78 ASP H 2.884 . 3.884 3.453 3.116 3.944 0.060 19 0 "[ . 1 . 2]" 1
1054 2 53 MET ME 2 76 SER HG 2.987 . 4.060 3.100 2.354 3.955 . 0 0 "[ . 1 . 2]" 1
1055 2 77 GLY H 2 77 GLY HA2 2.366 . 3.035 2.362 2.307 2.409 . 0 0 "[ . 1 . 2]" 1
1056 2 78 ASP HA 2 78 ASP HB3 2.722 . 3.611 2.843 2.556 3.017 . 0 0 "[ . 1 . 2]" 1
1057 2 78 ASP HB3 2 81 PHE HB2 2.783 . 3.712 2.425 2.149 2.969 . 0 0 "[ . 1 . 2]" 1
1058 2 76 SER HG 2 78 ASP HB3 3.195 . 4.424 3.878 3.224 4.577 0.153 16 0 "[ . 1 . 2]" 1
1059 2 76 SER HG 2 78 ASP HB2 3.279 . 4.574 3.923 2.912 4.665 0.091 3 0 "[ . 1 . 2]" 1
1060 2 78 ASP HB3 2 81 PHE H 3.135 . 4.319 2.774 2.444 2.978 . 0 0 "[ . 1 . 2]" 1
1061 2 78 ASP HB3 2 82 ASP H 3.276 . 4.568 3.754 3.163 4.334 . 0 0 "[ . 1 . 2]" 1
1062 2 78 ASP H 2 78 ASP HB3 2.778 . 3.704 3.137 2.680 3.651 . 0 0 "[ . 1 . 2]" 1
1063 2 81 PHE HB2 2 82 ASP H 2.756 . 3.667 3.643 3.480 3.731 0.064 15 0 "[ . 1 . 2]" 1
1064 2 78 ASP HB2 2 79 LYS H 3.048 . 4.166 4.449 4.380 4.625 0.459 19 0 "[ . 1 . 2]" 1
1065 2 80 PRO HB2 2 80 PRO HD3 2.741 . 3.643 3.822 3.801 3.841 0.198 20 0 "[ . 1 . 2]" 1
1066 2 42 GLN HA 2 42 GLN HB2 2.559 . 3.343 2.955 2.939 2.985 . 0 0 "[ . 1 . 2]" 1
1067 2 42 GLN HA 2 42 GLN HB3 2.676 . 3.534 2.611 2.531 2.636 . 0 0 "[ . 1 . 2]" 1
1068 2 41 GLN H 2 42 GLN HB2 2.726 . 3.618 3.787 3.762 3.816 0.198 8 0 "[ . 1 . 2]" 1
1069 2 42 GLN HA 2 88 ALA HA 2.988 . 4.104 4.108 4.030 4.227 0.123 15 0 "[ . 1 . 2]" 1
1070 2 64 ASP HA 2 64 ASP HB2 2.093 . 2.615 2.440 2.349 2.645 0.030 16 0 "[ . 1 . 2]" 1
1071 2 64 ASP HA 2 64 ASP HB3 2.194 . 2.768 2.974 2.945 2.988 0.220 18 0 "[ . 1 . 2]" 1
1072 2 64 ASP HB2 2 99 GLN HE22 3.739 . 5.427 4.959 3.812 5.911 0.484 19 0 "[ . 1 . 2]" 1
1073 2 64 ASP HB3 2 99 GLN HE22 3.571 . 5.110 5.402 5.040 6.058 0.948 19 7 "[ . - 1* * * *+*]" 1
1074 2 83 SER QB 2 86 VAL MG2 2.915 . 3.937 3.379 3.300 3.438 . 0 0 "[ . 1 . 2]" 1
1075 2 83 SER HA 2 84 SER H 3.035 . 4.144 3.584 3.554 3.609 . 0 0 "[ . 1 . 2]" 1
1076 2 83 SER HA 2 87 ALA H 3.096 . 4.250 3.753 3.572 3.923 . 0 0 "[ . 1 . 2]" 1
1077 2 83 SER HA 2 86 VAL H 2.670 . 3.525 2.737 2.654 2.816 . 0 0 "[ . 1 . 2]" 1
1078 2 83 SER HA 2 86 VAL MG2 2.354 . 3.015 1.693 1.666 1.714 . 0 0 "[ . 1 . 2]" 1
1079 2 86 VAL HA 2 86 VAL MG2 2.058 . 2.562 2.493 2.452 2.518 . 0 0 "[ . 1 . 2]" 1
1080 2 86 VAL H 2 86 VAL HB 2.204 . 2.784 2.579 2.558 2.603 . 0 0 "[ . 1 . 2]" 1
1081 2 86 VAL MG1 2 90 ARG H 2.736 . 3.635 3.601 3.537 3.671 0.036 15 0 "[ . 1 . 2]" 1
1082 2 86 VAL MG1 2 87 ALA H 2.459 . 3.183 3.346 3.313 3.372 0.189 18 0 "[ . 1 . 2]" 1
1083 2 86 VAL MG2 2 87 ALA H 2.496 . 3.242 3.397 3.373 3.417 0.175 14 0 "[ . 1 . 2]" 1
1084 2 89 VAL HB 2 90 ARG H 2.398 . 3.086 3.332 3.309 3.360 0.274 6 0 "[ . 1 . 2]" 1
1085 2 89 VAL HA 2 89 VAL HB 2.621 . 3.444 2.481 2.469 2.493 . 0 0 "[ . 1 . 2]" 1
1086 2 86 VAL HA 2 89 VAL HA 3.582 . 5.131 5.280 5.249 5.323 0.192 6 0 "[ . 1 . 2]" 1
1087 2 89 VAL HA 2 90 ARG H 2.877 . 3.871 3.489 3.471 3.507 . 0 0 "[ . 1 . 2]" 1
1088 2 89 VAL H 2 89 VAL HA 2.413 . 3.110 2.804 2.794 2.815 . 0 0 "[ . 1 . 2]" 1
1089 2 88 ALA MB 2 89 VAL HA 2.940 . 3.979 3.737 3.691 3.803 . 0 0 "[ . 1 . 2]" 1
1090 2 39 VAL HA 2 88 ALA MB 2.885 . 3.886 3.074 2.979 3.192 . 0 0 "[ . 1 . 2]" 1
1091 2 88 ALA MB 2 115 ILE MG 3.033 . 4.139 4.322 4.294 4.369 0.230 17 0 "[ . 1 . 2]" 1
1092 2 88 ALA HA 2 88 ALA MB 2.013 . 2.494 2.149 2.142 2.158 . 0 0 "[ . 1 . 2]" 1
1093 2 55 VAL MG1 2 55 VAL MG2 2.142 . 2.689 2.083 2.044 2.102 . 0 0 "[ . 1 . 2]" 1
1094 2 82 ASP HA 2 85 ALA MB 2.561 . 3.347 3.335 3.257 3.376 0.029 7 0 "[ . 1 . 2]" 1
1095 2 55 VAL QG 2 85 ALA MB 2.529 . 3.295 2.615 2.403 2.775 . 0 0 "[ . 1 . 2]" 1
1096 2 39 VAL MG2 2 88 ALA MB 2.145 . 2.693 1.803 1.771 1.868 . 0 0 "[ . 1 . 2]" 1
1097 2 42 GLN HB3 2 88 ALA MB 2.690 . 3.558 3.296 3.189 3.582 0.024 15 0 "[ . 1 . 2]" 1
1098 2 42 GLN HB3 2 92 VAL MG1 2.898 . 3.906 3.097 2.981 3.177 . 0 0 "[ . 1 . 2]" 1
1099 2 85 ALA HA 2 88 ALA H 2.776 . 3.701 2.809 2.740 2.877 . 0 0 "[ . 1 . 2]" 1
1100 2 85 ALA HA 2 117 PHE HZ 3.039 . 4.150 3.884 3.764 4.041 . 0 0 "[ . 1 . 2]" 1
1101 2 84 SER HG 2 85 ALA HA 2.972 . 4.035 4.113 4.094 4.126 0.091 7 0 "[ . 1 . 2]" 1
1102 2 89 VAL HA 2 89 VAL MG1 2.109 . 2.638 2.275 2.259 2.291 . 0 0 "[ . 1 . 2]" 1
1103 2 86 VAL HA 2 89 VAL MG1 2.607 . 3.422 3.123 3.060 3.226 . 0 0 "[ . 1 . 2]" 1
1104 2 43 TRP H 2 43 TRP HB2 2.502 . 3.251 2.768 2.706 2.848 . 0 0 "[ . 1 . 2]" 1
1105 2 43 TRP HB2 2 88 ALA MB 2.734 . 3.632 1.779 1.732 1.807 0.091 18 0 "[ . 1 . 2]" 1
1106 2 43 TRP H 2 88 ALA MB 2.723 . 3.612 3.148 3.071 3.230 . 0 0 "[ . 1 . 2]" 1
1107 2 40 SER HA 2 88 ALA MB 3.050 . 4.169 3.547 3.356 3.672 . 0 0 "[ . 1 . 2]" 1
1108 2 88 ALA MB 2 89 VAL MG1 2.513 . 3.269 2.928 2.872 3.006 . 0 0 "[ . 1 . 2]" 1
1109 2 108 SER HB2 2 109 LEU HB3 3.950 . 5.837 5.963 5.934 5.994 0.157 2 0 "[ . 1 . 2]" 1
1110 2 108 SER HB3 2 109 LEU HB3 3.695 . 5.344 4.451 4.383 4.507 . 0 0 "[ . 1 . 2]" 1
1111 2 91 ASN HA 2 91 ASN HB3 2.417 . 3.147 2.969 2.924 2.988 . 0 0 "[ . 1 . 2]" 1
1112 2 79 LYS H 2 80 PRO HD3 2.692 . 3.561 3.592 3.568 3.620 0.059 3 0 "[ . 1 . 2]" 1
1113 2 79 LYS H 2 80 PRO HD2 2.582 . 3.380 2.059 2.002 2.117 . 0 0 "[ . 1 . 2]" 1
1114 2 111 ARG HD3 2 112 GLN HE21 2.847 . 3.821 3.173 2.565 3.938 0.117 13 0 "[ . 1 . 2]" 1
1115 2 111 ARG HD2 2 112 GLN HE21 2.847 . 3.821 3.764 2.411 4.039 0.218 1 0 "[ . 1 . 2]" 1
1116 2 107 ASP HA 2 111 ARG HD2 2.904 . 3.918 3.084 2.731 4.098 0.180 13 0 "[ . 1 . 2]" 1
1117 2 95 ILE H 2 95 ILE QG 2.885 . 3.722 3.237 2.497 3.541 . 0 0 "[ . 1 . 2]" 1
1118 2 46 PRO HD3 2 46 PRO HG2 2.993 . 4.071 2.904 2.831 2.957 . 0 0 "[ . 1 . 2]" 1
1119 2 46 PRO HD3 2 46 PRO HG3 2.945 . 3.987 2.281 2.269 2.294 . 0 0 "[ . 1 . 2]" 1
1120 2 46 PRO HD2 2 46 PRO HG3 2.567 . 3.356 2.844 2.775 2.922 . 0 0 "[ . 1 . 2]" 1
1121 2 46 PRO HD2 2 46 PRO HG2 2.484 . 3.223 2.265 2.259 2.275 . 0 0 "[ . 1 . 2]" 1
1122 2 45 ARG HB3 2 46 PRO HD3 3.019 . 4.116 3.850 3.553 4.352 0.236 1 0 "[ . 1 . 2]" 1
1123 2 46 PRO HG3 2 49 ALA MB 2.928 . 3.958 3.185 3.003 3.404 . 0 0 "[ . 1 . 2]" 1
1124 2 46 PRO HD2 2 49 ALA MB 2.532 . 3.299 1.837 1.731 1.961 0.000 9 0 "[ . 1 . 2]" 1
1125 2 49 ALA HA 2 49 ALA MB 2.173 . 2.736 2.107 2.095 2.118 . 0 0 "[ . 1 . 2]" 1
1126 2 49 ALA MB 2 50 ARG HA 3.132 . 4.314 4.096 3.988 4.213 . 0 0 "[ . 1 . 2]" 1
1127 2 46 PRO HG2 2 49 ALA MB 3.242 . 4.509 2.215 2.073 2.404 . 0 0 "[ . 1 . 2]" 1
1128 2 46 PRO HD2 2 122 LEU MD2 3.276 . 4.570 4.570 4.398 4.648 0.078 10 0 "[ . 1 . 2]" 1
1129 2 80 PRO HB3 2 80 PRO HD3 2.421 . 3.154 3.003 2.933 3.088 . 0 0 "[ . 1 . 2]" 1
1130 2 80 PRO HD3 2 80 PRO HG2 2.424 . 3.128 2.976 2.962 2.988 . 0 0 "[ . 1 . 2]" 1
1131 2 80 PRO HD2 2 80 PRO HG2 2.451 . 3.170 2.325 2.307 2.341 . 0 0 "[ . 1 . 2]" 1
1132 2 54 SER HB2 2 116 ILE MG 2.433 . 3.142 2.474 2.074 3.279 0.137 4 0 "[ . 1 . 2]" 1
1133 2 54 SER HB3 2 116 ILE MD 2.787 . 3.719 3.769 3.020 3.857 0.138 5 0 "[ . 1 . 2]" 1
1134 2 40 SER HB3 2 41 GLN H 3.073 . 4.209 4.222 3.914 4.299 0.090 8 0 "[ . 1 . 2]" 1
1135 2 40 SER HB2 2 41 GLN H 2.902 . 3.915 3.747 3.417 4.121 0.206 12 0 "[ . 1 . 2]" 1
1136 2 79 LYS HA 2 82 ASP HB2 2.790 . 3.724 2.786 2.268 3.939 0.215 18 0 "[ . 1 . 2]" 1
1137 2 35 ILE MG 2 36 VAL HA 2.648 . 3.489 2.893 2.792 2.972 . 0 0 "[ . 1 . 2]" 1
1138 2 36 VAL HA 2 39 VAL HB 2.602 . 3.414 2.799 2.682 3.055 . 0 0 "[ . 1 . 2]" 1
1139 2 100 GLN HB3 2 100 GLN HG2 2.080 . 2.595 2.768 2.455 2.956 0.361 3 0 "[ . 1 . 2]" 1
1140 2 66 THR H 2 66 THR HB 2.568 . 3.358 2.866 2.545 3.184 . 0 0 "[ . 1 . 2]" 1
1141 2 62 LEU H 2 66 THR HB 2.951 . 3.998 3.669 3.326 4.045 0.047 19 0 "[ . 1 . 2]" 1
1142 2 11 ASP H 2 11 ASP HB2 2.850 . 3.865 2.956 2.362 3.660 . 0 0 "[ . 1 . 2]" 1
1143 2 11 ASP H 2 11 ASP HB3 3.208 . 4.494 3.081 2.425 3.735 . 0 0 "[ . 1 . 2]" 1
1144 2 14 GLU H 2 14 GLU HB3 2.685 . 3.586 3.400 2.421 3.701 0.115 20 0 "[ . 1 . 2]" 1
1145 2 90 ARG H 2 90 ARG HG2 2.294 . 2.923 1.895 1.844 1.950 . 0 0 "[ . 1 . 2]" 1
1146 2 86 VAL H 2 86 VAL MG2 1.988 . 2.458 1.747 1.716 1.790 . 0 0 "[ . 1 . 2]" 1
1147 2 21 ASP HB2 2 22 GLU H 2.278 . 2.926 2.201 1.792 3.685 0.759 9 2 "[ - . +1 . 2]" 1
1148 2 23 VAL HB 2 24 GLY H 2.603 . 3.450 3.679 3.643 3.723 0.273 18 0 "[ . 1 . 2]" 1
1149 2 31 LEU MD2 2 98 MET ME 2.220 . 2.808 2.143 1.842 2.652 . 0 0 "[ . 1 . 2]" 1
1150 2 34 LEU HB3 2 35 ILE H 2.701 . 3.576 3.043 2.916 3.174 . 0 0 "[ . 1 . 2]" 1
1151 2 34 LEU H 2 34 LEU HB3 2.407 . 3.099 3.345 3.329 3.362 0.263 20 0 "[ . 1 . 2]" 1
1152 2 34 LEU HB2 2 35 ILE H 2.818 . 3.771 2.112 2.066 2.157 . 0 0 "[ . 1 . 2]" 1
1153 2 29 GLY H 2 109 LEU QD 3.185 . 4.406 3.777 3.205 4.270 . 0 0 "[ . 1 . 2]" 1
1154 2 95 ILE HB 2 95 ILE QG 2.477 . 3.211 2.360 2.315 2.413 . 0 0 "[ . 1 . 2]" 1
1155 2 95 ILE HB 2 98 MET HG2 2.827 . 3.787 2.788 2.390 3.462 . 0 0 "[ . 1 . 2]" 1
1156 2 32 ASP HA 2 35 ILE HB 2.774 . 3.698 2.839 2.513 3.211 . 0 0 "[ . 1 . 2]" 1
1157 2 35 ILE HA 2 35 ILE MD 2.395 . 3.082 3.101 3.025 3.166 0.084 17 0 "[ . 1 . 2]" 1
1158 2 32 ASP HA 2 35 ILE MG 2.902 . 3.913 3.808 3.514 4.022 0.109 14 0 "[ . 1 . 2]" 1
1159 2 35 ILE MG 2 36 VAL HB 2.720 . 3.608 3.765 3.742 3.797 0.189 3 0 "[ . 1 . 2]" 1
1160 2 36 VAL HA 2 36 VAL HB 2.701 . 3.576 2.962 2.953 2.971 . 0 0 "[ . 1 . 2]" 1
1161 2 38 LEU HA 2 38 LEU HG 2.426 . 3.131 2.998 2.969 3.025 . 0 0 "[ . 1 . 2]" 1
1162 2 38 LEU HA 2 41 GLN HB2 2.564 . 3.386 2.840 2.711 2.993 . 0 0 "[ . 1 . 2]" 1
1163 2 37 ASN HD21 2 38 LEU MD2 2.709 . 3.590 2.504 2.041 3.626 0.036 13 0 "[ . 1 . 2]" 1
1164 2 101 LEU H 2 101 LEU HB2 2.312 . 2.950 2.628 2.363 3.390 0.440 5 0 "[ . 1 . 2]" 1
1165 2 39 VAL H 2 39 VAL HA 2.493 . 3.236 2.776 2.766 2.787 . 0 0 "[ . 1 . 2]" 1
1166 2 39 VAL HB 2 39 VAL MG2 2.114 . 2.647 2.108 2.099 2.114 . 0 0 "[ . 1 . 2]" 1
1167 2 39 VAL MG2 2 115 ILE MG 1.873 . 2.312 2.206 2.119 2.302 . 0 0 "[ . 1 . 2]" 1
1168 2 39 VAL MG2 2 117 PHE QE 2.384 . 3.064 2.213 2.079 2.340 . 0 0 "[ . 1 . 2]" 1
1169 2 39 VAL MG2 2 117 PHE HZ 2.551 . 3.330 1.848 1.742 1.944 . 0 0 "[ . 1 . 2]" 1
1170 2 39 VAL HA 2 39 VAL HB 2.596 . 3.402 2.638 2.570 2.660 . 0 0 "[ . 1 . 2]" 1
1171 2 39 VAL MG2 2 89 VAL MG1 2.147 . 2.723 1.818 1.769 1.865 . 0 0 "[ . 1 . 2]" 1
1172 2 39 VAL MG1 2 39 VAL MG2 2.010 . 2.515 2.082 2.053 2.094 . 0 0 "[ . 1 . 2]" 1
1173 2 39 VAL HA 2 42 GLN HB2 2.906 . 3.962 2.595 2.505 2.669 . 0 0 "[ . 1 . 2]" 1
1174 2 92 VAL H 2 92 VAL HA 2.387 . 3.069 2.860 2.829 2.898 . 0 0 "[ . 1 . 2]" 1
1175 2 92 VAL HA 2 93 GLY H 2.684 . 3.548 3.401 3.378 3.417 . 0 0 "[ . 1 . 2]" 1
1176 2 90 ARG H 2 90 ARG HD3 2.926 . 3.955 3.389 3.304 3.466 . 0 0 "[ . 1 . 2]" 1
1177 2 90 ARG H 2 90 ARG HD2 3.006 . 4.093 4.078 3.975 4.162 0.069 2 0 "[ . 1 . 2]" 1
1178 2 90 ARG H 2 90 ARG HA 2.356 . 3.018 2.760 2.749 2.771 . 0 0 "[ . 1 . 2]" 1
1179 2 90 ARG HA 2 91 ASN H 2.886 . 3.888 3.563 3.541 3.595 . 0 0 "[ . 1 . 2]" 1
1180 2 90 ARG HD2 2 90 ARG HG3 2.456 . 3.178 2.682 2.610 2.727 . 0 0 "[ . 1 . 2]" 1
1181 2 70 ALA MB 2 90 ARG HA 2.833 . 3.797 3.720 3.546 3.832 0.035 5 0 "[ . 1 . 2]" 1
1182 2 61 MET HG2 2 67 ILE MG 2.823 . 3.780 3.955 3.897 4.029 0.249 19 0 "[ . 1 . 2]" 1
1183 2 90 ARG H 2 90 ARG HG3 2.451 . 3.170 3.318 3.286 3.357 0.187 6 0 "[ . 1 . 2]" 1
1184 2 90 ARG H 2 90 ARG HB2 2.292 . 2.920 2.374 2.318 2.425 . 0 0 "[ . 1 . 2]" 1
1185 2 49 ALA HA 2 50 ARG H 2.148 . 2.697 2.155 2.073 2.238 . 0 0 "[ . 1 . 2]" 1
1186 2 49 ALA H 2 49 ALA HA 2.625 . 3.452 2.814 2.781 2.864 . 0 0 "[ . 1 . 2]" 1
1187 2 49 ALA HA 2 81 PHE QD 2.817 . 3.770 3.864 3.703 3.950 0.180 18 0 "[ . 1 . 2]" 1
1188 2 49 ALA HA 2 53 MET ME 2.339 . 3.023 2.945 2.413 3.089 0.066 18 0 "[ . 1 . 2]" 1
1189 2 48 SER HG 2 49 ALA MB 2.962 . 4.017 4.065 3.998 4.112 0.095 10 0 "[ . 1 . 2]" 1
1190 2 80 PRO HA 2 80 PRO HD2 2.939 . 3.977 4.005 3.996 4.011 0.034 19 0 "[ . 1 . 2]" 1
1191 2 79 LYS HA 2 80 PRO HD2 2.843 . 3.814 3.714 3.693 3.748 . 0 0 "[ . 1 . 2]" 1
1192 2 50 ARG HA 2 50 ARG HD3 2.440 . 3.152 2.333 1.975 3.342 0.190 12 0 "[ . 1 . 2]" 1
1193 2 94 ARG H 2 94 ARG QD 3.209 . 4.449 2.432 1.871 3.740 0.062 19 0 "[ . 1 . 2]" 1
1194 2 50 ARG HD3 2 51 ASN H 3.217 . 4.464 4.189 3.828 4.532 0.068 10 0 "[ . 1 . 2]" 1
1195 2 50 ARG HD2 2 51 ASN H 3.356 . 4.714 3.718 2.674 4.497 . 0 0 "[ . 1 . 2]" 1
1196 2 101 LEU HB3 2 102 PRO HD2 2.756 . 3.668 2.266 1.941 3.456 . 0 0 "[ . 1 . 2]" 1
1197 2 101 LEU HB2 2 102 PRO HD2 2.814 . 3.765 3.392 1.853 3.718 0.016 11 0 "[ . 1 . 2]" 1
1198 2 106 PHE HA 2 110 TYR HB2 3.136 . 4.319 3.040 2.721 3.371 . 0 0 "[ . 1 . 2]" 1
1199 2 110 TYR H 2 110 TYR HB2 2.960 . 4.012 2.470 2.363 2.576 . 0 0 "[ . 1 . 2]" 1
1200 2 87 ALA HA 2 88 ALA H 2.742 . 3.643 3.329 3.309 3.361 . 0 0 "[ . 1 . 2]" 1
1201 2 87 ALA H 2 87 ALA HA 2.302 . 2.936 2.831 2.813 2.848 . 0 0 "[ . 1 . 2]" 1
1202 2 87 ALA HA 2 90 ARG H 2.478 . 3.213 3.293 3.276 3.308 0.095 9 0 "[ . 1 . 2]" 1
1203 2 87 ALA HA 2 89 VAL H 2.866 . 3.853 4.059 4.037 4.075 0.222 14 0 "[ . 1 . 2]" 1
1204 2 87 ALA HA 2 87 ALA MB 1.847 . 2.251 2.126 2.121 2.131 . 0 0 "[ . 1 . 2]" 1
1205 2 58 LEU H 2 58 LEU HB3 2.508 . 3.262 2.564 2.453 2.715 . 0 0 "[ . 1 . 2]" 1
1206 2 52 GLY QA 2 119 PRO HB2 2.740 . 3.641 3.636 3.586 3.675 0.034 13 0 "[ . 1 . 2]" 1
1207 2 99 GLN HA 2 99 GLN HG2 2.333 . 2.983 2.672 2.416 2.872 . 0 0 "[ . 1 . 2]" 1
1208 2 99 GLN HA 2 99 GLN HB3 2.173 . 2.737 2.365 2.319 2.408 . 0 0 "[ . 1 . 2]" 1
1209 2 64 ASP HA 2 99 GLN HG2 2.168 . 2.728 2.269 1.863 2.680 . 0 0 "[ . 1 . 2]" 1
1210 2 109 LEU QD 2 110 TYR QE 2.932 . 3.965 2.407 2.092 2.723 . 0 0 "[ . 1 . 2]" 1
1211 2 59 ILE MG 2 113 ARG H 2.618 . 3.440 3.522 3.303 3.681 0.241 16 0 "[ . 1 . 2]" 1
1212 2 30 SER HA 2 32 ASP H 3.389 . 4.773 4.085 3.532 4.586 . 0 0 "[ . 1 . 2]" 1
1213 2 124 LEU HA 2 124 LEU QD 2.707 . 3.586 2.870 1.842 3.120 . 0 0 "[ . 1 . 2]" 1
1214 2 121 ASP H 2 122 LEU MD1 3.923 . 5.784 5.700 5.373 5.871 0.087 15 0 "[ . 1 . 2]" 1
1215 2 49 ALA MB 2 122 LEU MD1 2.450 . 3.168 2.788 2.372 3.175 0.007 15 0 "[ . 1 . 2]" 1
1216 2 45 ARG HA 2 45 ARG QG 2.965 . 4.021 2.955 2.327 3.374 . 0 0 "[ . 1 . 2]" 1
1217 2 45 ARG QG 2 46 PRO HD3 3.386 . 4.768 4.098 3.634 4.379 . 0 0 "[ . 1 . 2]" 1
1218 2 45 ARG HB3 2 45 ARG QG 2.664 . 3.515 2.369 2.202 2.507 . 0 0 "[ . 1 . 2]" 1
1219 2 45 ARG HB2 2 45 ARG QG 2.583 . 3.414 2.273 2.129 2.488 . 0 0 "[ . 1 . 2]" 1
1220 2 42 GLN QE 2 42 GLN QG 2.724 . 3.343 2.121 2.098 2.146 . 0 0 "[ . 1 . 2]" 1
1221 2 42 GLN H 2 42 GLN QG 2.674 . 3.531 3.321 2.863 3.472 . 0 0 "[ . 1 . 2]" 1
1222 2 68 THR HB 2 69 ASN H 3.124 . 4.299 4.017 3.935 4.126 . 0 0 "[ . 1 . 2]" 1
1223 2 101 LEU HB2 2 106 PHE H 3.346 . 4.694 3.823 3.586 4.577 . 0 0 "[ . 1 . 2]" 1
1224 2 35 ILE H 2 35 ILE HG12 2.823 . 3.780 3.960 3.938 3.984 0.204 1 0 "[ . 1 . 2]" 1
1225 2 35 ILE MD 2 36 VAL H 2.889 . 3.891 3.969 3.928 3.999 0.108 14 0 "[ . 1 . 2]" 1
1226 2 35 ILE MG 2 39 VAL H 3.049 . 4.167 4.135 3.991 4.276 0.109 14 0 "[ . 1 . 2]" 1
1227 2 71 SER HB2 2 72 VAL HB 2.948 . 3.992 4.158 4.134 4.193 0.201 16 0 "[ . 1 . 2]" 1
1228 2 99 GLN H 2 99 GLN HB2 2.240 . 2.839 2.513 2.429 2.616 . 0 0 "[ . 1 . 2]" 1
1229 2 101 LEU H 2 101 LEU HG 2.368 . 3.038 2.466 2.205 2.877 . 0 0 "[ . 1 . 2]" 1
1230 2 55 VAL QG 2 56 GLU H 2.200 . 2.777 2.719 2.580 2.796 0.019 19 0 "[ . 1 . 2]" 1
1231 2 55 VAL QG 2 76 SER HG 2.992 . 4.069 2.612 1.944 3.533 . 0 0 "[ . 1 . 2]" 1
1232 2 61 MET ME 2 65 GLY H 2.989 . 4.064 4.187 4.144 4.234 0.170 2 0 "[ . 1 . 2]" 1
1233 2 61 MET ME 2 95 ILE H 2.872 . 3.862 3.729 3.324 3.952 0.090 20 0 "[ . 1 . 2]" 1
1234 2 61 MET ME 2 98 MET HG3 2.695 . 3.566 2.595 2.228 3.219 . 0 0 "[ . 1 . 2]" 1
1235 2 61 MET ME 2 61 MET HG3 2.489 . 3.231 3.316 3.235 3.354 0.123 8 0 "[ . 1 . 2]" 1
1236 2 61 MET ME 2 95 ILE QG 2.526 . 3.291 2.943 2.356 3.261 . 0 0 "[ . 1 . 2]" 1
1237 2 61 MET ME 2 98 MET ME 2.062 . 2.568 2.139 1.903 2.492 . 0 0 "[ . 1 . 2]" 1
1238 2 61 MET ME 2 65 GLY HA2 2.598 . 3.407 2.382 2.216 2.460 . 0 0 "[ . 1 . 2]" 1
1239 2 61 MET ME 2 110 TYR HB3 2.423 . 3.126 2.090 1.927 2.344 . 0 0 "[ . 1 . 2]" 1
1240 2 61 MET ME 2 98 MET H 3.630 . 5.222 5.100 4.951 5.272 0.050 16 0 "[ . 1 . 2]" 1
1241 2 60 GLU HA 2 111 ARG HA 3.324 . 4.656 4.635 4.465 4.753 0.097 3 0 "[ . 1 . 2]" 1
1242 2 54 SER H 2 76 SER QB 3.382 . 4.760 2.374 2.135 2.548 . 0 0 "[ . 1 . 2]" 1
1243 2 76 SER QB 2 78 ASP H 3.219 . 4.305 3.237 2.828 3.847 . 0 0 "[ . 1 . 2]" 1
1244 2 81 PHE HA 2 84 SER HG 2.736 . 3.635 2.796 2.720 2.916 . 0 0 "[ . 1 . 2]" 1
1245 2 81 PHE H 2 81 PHE HA 2.955 . 4.005 2.773 2.762 2.786 . 0 0 "[ . 1 . 2]" 1
1246 2 81 PHE HA 2 84 SER H 3.225 . 4.478 3.921 3.778 4.022 . 0 0 "[ . 1 . 2]" 1
1247 2 56 GLU HA 2 116 ILE MD 3.326 . 4.659 2.377 2.201 3.507 . 0 0 "[ . 1 . 2]" 1
1248 2 44 ARG HA 2 44 ARG HG3 2.361 . 3.027 2.780 2.482 3.176 0.149 12 0 "[ . 1 . 2]" 1
1249 2 113 ARG QG 2 114 ARG H 3.149 . 4.344 3.744 3.057 3.859 . 0 0 "[ . 1 . 2]" 1
1250 2 59 ILE H 2 59 ILE HG13 2.779 . 3.707 3.871 2.318 4.073 0.366 13 0 "[ . 1 . 2]" 1
1251 2 59 ILE MD 2 59 ILE HG13 2.187 . 2.758 2.075 2.026 2.089 . 0 0 "[ . 1 . 2]" 1
1252 2 59 ILE HG13 2 115 ILE MD 2.879 . 3.875 2.762 2.277 3.122 . 0 0 "[ . 1 . 2]" 1
1253 2 59 ILE HB 2 59 ILE HG13 2.667 . 3.519 2.402 2.274 2.572 . 0 0 "[ . 1 . 2]" 1
1254 2 101 LEU H 2 102 PRO HD2 3.315 . 4.639 4.756 4.714 4.820 0.181 12 0 "[ . 1 . 2]" 1
1255 2 97 GLU HA 2 98 MET H 2.751 . 3.660 3.271 3.195 3.384 . 0 0 "[ . 1 . 2]" 1
1256 2 97 GLU HA 2 99 GLN H 2.901 . 3.912 3.476 3.166 3.790 . 0 0 "[ . 1 . 2]" 1
1257 2 97 GLU HA 2 100 GLN H 2.884 . 3.883 3.698 3.459 3.922 0.039 2 0 "[ . 1 . 2]" 1
1258 2 95 ILE MG 2 98 MET H 2.454 . 3.175 2.921 2.528 3.276 0.101 4 0 "[ . 1 . 2]" 1
1259 2 31 LEU MD1 2 100 GLN H 3.562 . 5.093 5.257 5.184 5.367 0.274 15 0 "[ . 1 . 2]" 1
1260 2 42 GLN HB2 2 88 ALA MB 2.939 . 3.977 3.230 3.122 3.346 . 0 0 "[ . 1 . 2]" 1
1261 2 91 ASN H 2 92 VAL MG1 2.535 . 3.338 3.550 3.508 3.580 0.242 6 0 "[ . 1 . 2]" 1
1262 2 92 VAL H 2 92 VAL MG1 2.070 . 2.580 1.758 1.672 1.875 . 0 0 "[ . 1 . 2]" 1
1263 2 92 VAL HB 2 92 VAL MG1 2.083 . 2.599 2.117 2.105 2.127 . 0 0 "[ . 1 . 2]" 1
1264 2 92 VAL HB 2 92 VAL MG2 2.041 . 2.537 2.107 2.100 2.115 . 0 0 "[ . 1 . 2]" 1
1265 2 92 VAL HA 2 92 VAL MG1 2.060 . 2.565 2.551 2.475 2.627 0.062 18 0 "[ . 1 . 2]" 1
1266 2 92 VAL HB 2 93 GLY H 2.520 . 3.314 3.680 3.639 3.724 0.410 12 0 "[ . 1 . 2]" 1
1267 2 92 VAL MG1 2 93 GLY H 2.680 . 3.541 3.323 3.207 3.479 . 0 0 "[ . 1 . 2]" 1
1268 2 43 TRP HE3 2 85 ALA MB 3.345 . 4.693 4.783 4.739 4.817 0.124 11 0 "[ . 1 . 2]" 1
1269 2 85 ALA H 2 85 ALA MB 1.947 . 2.421 2.086 1.988 2.130 . 0 0 "[ . 1 . 2]" 1
1270 2 85 ALA MB 2 117 PHE HZ 3.039 . 4.150 3.080 3.000 3.182 . 0 0 "[ . 1 . 2]" 1
1271 2 43 TRP HB2 2 85 ALA MB 3.034 . 4.142 4.280 4.261 4.307 0.165 6 0 "[ . 1 . 2]" 1
1272 2 38 LEU HG 2 39 VAL H 3.468 . 4.919 4.184 4.112 4.219 . 0 0 "[ . 1 . 2]" 1
1273 2 100 GLN H 2 100 GLN HB2 2.429 . 3.134 2.761 2.379 3.209 0.075 5 0 "[ . 1 . 2]" 1
1274 2 100 GLN HA 2 100 GLN HB2 2.261 . 2.870 2.958 2.855 2.997 0.127 3 0 "[ . 1 . 2]" 1
1275 2 100 GLN HA 2 100 GLN HG2 2.395 . 3.080 2.787 2.587 3.097 0.017 5 0 "[ . 1 . 2]" 1
1276 2 100 GLN HA 2 100 GLN HB3 2.555 . 3.337 2.301 2.230 2.362 . 0 0 "[ . 1 . 2]" 1
1277 2 100 GLN HA 2 100 GLN HG3 2.743 . 3.645 3.763 3.279 3.829 0.184 19 0 "[ . 1 . 2]" 1
1278 2 29 GLY HA3 2 31 LEU H 3.172 . 4.429 3.471 3.144 4.232 . 0 0 "[ . 1 . 2]" 1
1279 2 119 PRO HG2 2 122 LEU MD2 2.613 . 3.432 3.158 2.350 3.532 0.100 6 0 "[ . 1 . 2]" 1
1280 2 118 LYS HA 2 119 PRO HD2 2.671 . 3.526 1.781 1.696 2.954 0.083 20 0 "[ . 1 . 2]" 1
1281 2 57 VAL MG1 2 58 LEU H 2.229 . 2.822 2.890 2.850 2.929 0.107 1 0 "[ . 1 . 2]" 1
1282 2 62 LEU HG 2 68 THR MG 2.195 . 2.769 2.094 1.683 3.143 0.374 16 0 "[ . 1 . 2]" 1
1283 2 62 LEU HA 2 63 PRO HG3 2.947 . 3.991 4.068 3.977 4.098 0.107 6 0 "[ . 1 . 2]" 1
1284 2 120 GLU H 2 120 GLU HB3 2.676 . 3.534 3.702 3.347 3.864 0.330 7 0 "[ . 1 . 2]" 1
1285 2 120 GLU H 2 120 GLU HB2 2.762 . 3.677 3.083 2.707 3.867 0.190 11 0 "[ . 1 . 2]" 1
1286 2 120 GLU HB3 2 121 ASP H 3.049 . 4.168 3.683 3.285 4.244 0.076 11 0 "[ . 1 . 2]" 1
1287 2 118 LYS HB2 2 118 LYS QG 2.383 . 3.061 2.306 2.188 2.397 . 0 0 "[ . 1 . 2]" 1
1288 2 116 ILE MD 2 116 ILE HG12 1.925 . 2.388 2.118 2.098 2.122 . 0 0 "[ . 1 . 2]" 1
1289 2 56 GLU QG 2 116 ILE HG12 2.761 . 3.675 2.121 1.836 3.021 . 0 0 "[ . 1 . 2]" 1
1290 2 116 ILE HG12 2 117 PHE H 3.190 . 4.416 4.419 3.336 4.498 0.082 5 0 "[ . 1 . 2]" 1
1291 2 116 ILE H 2 116 ILE MG 2.857 . 3.836 3.479 3.423 3.537 . 0 0 "[ . 1 . 2]" 1
1292 2 54 SER HB2 2 116 ILE MD 2.688 . 3.555 2.581 2.431 3.845 0.290 4 0 "[ . 1 . 2]" 1
1293 2 115 ILE MD 2 115 ILE MG 1.881 . 2.323 2.293 2.121 2.385 0.062 1 0 "[ . 1 . 2]" 1
1294 2 85 ALA MB 2 115 ILE MD 4.256 . 6.448 5.401 5.295 5.498 . 0 0 "[ . 1 . 2]" 1
1295 2 113 ARG QB 2 113 ARG HD3 3.243 . 4.509 2.699 2.330 3.416 . 0 0 "[ . 1 . 2]" 1
1296 2 111 ARG HG3 2 112 GLN HE21 3.044 . 4.158 3.854 2.258 4.315 0.157 8 0 "[ . 1 . 2]" 1
1297 2 35 ILE MD 2 110 TYR HB2 3.381 . 4.760 4.417 4.014 4.656 . 0 0 "[ . 1 . 2]" 1
1298 2 98 MET ME 2 110 TYR HB2 3.143 . 4.333 2.389 1.919 2.631 . 0 0 "[ . 1 . 2]" 1
1299 2 35 ILE MD 2 110 TYR HB3 3.029 . 4.132 3.323 3.065 3.521 . 0 0 "[ . 1 . 2]" 1
1300 2 110 TYR HB2 2 110 TYR QD 2.563 . 3.384 2.299 2.238 2.356 . 0 0 "[ . 1 . 2]" 1
1301 2 101 LEU HG 2 105 THR MG 3.233 . 4.493 3.985 3.861 4.350 . 0 0 "[ . 1 . 2]" 1
1302 2 101 LEU HB3 2 102 PRO HD3 2.718 . 3.605 3.258 3.091 3.670 0.065 11 0 "[ . 1 . 2]" 1
1303 2 99 GLN HB2 2 99 GLN HG3 2.327 . 2.974 2.498 2.351 2.609 . 0 0 "[ . 1 . 2]" 1
1304 2 99 GLN HB2 2 99 GLN HG2 2.301 . 2.933 2.973 2.951 2.989 0.056 2 0 "[ . 1 . 2]" 1
1305 2 99 GLN H 2 99 GLN HG2 2.427 . 3.133 3.298 3.165 3.370 0.237 9 0 "[ . 1 . 2]" 1
1306 2 99 GLN H 2 99 GLN HG3 2.475 . 3.209 1.975 1.738 2.270 . 0 0 "[ . 1 . 2]" 1
1307 2 99 GLN HE22 2 99 GLN HG2 2.643 . 3.480 3.718 3.653 3.799 0.319 11 0 "[ . 1 . 2]" 1
1308 2 99 GLN HE22 2 99 GLN HG3 2.630 . 3.460 3.438 3.418 3.463 0.003 19 0 "[ . 1 . 2]" 1
1309 2 99 GLN H 2 99 GLN HA 2.369 . 3.040 2.845 2.823 2.869 . 0 0 "[ . 1 . 2]" 1
1310 2 80 PRO HD2 2 80 PRO HG3 2.473 . 3.204 2.665 2.650 2.684 . 0 0 "[ . 1 . 2]" 1
1311 2 86 VAL MG1 2 87 ALA HA 2.674 . 3.531 3.433 3.397 3.493 . 0 0 "[ . 1 . 2]" 1
1312 2 78 ASP HB3 2 81 PHE HB3 3.194 . 4.422 2.326 1.809 3.088 0.110 1 0 "[ . 1 . 2]" 1
1313 2 89 VAL MG1 2 115 ILE MG 2.196 . 2.799 2.994 2.922 3.069 0.270 6 0 "[ . 1 . 2]" 1
1314 2 115 ILE HB 2 115 ILE MD 2.117 . 2.677 2.192 2.159 2.261 . 0 0 "[ . 1 . 2]" 1
1315 2 50 ARG H 2 50 ARG HG2 2.693 . 3.563 2.979 2.577 3.314 . 0 0 "[ . 1 . 2]" 1
1316 2 50 ARG HA 2 50 ARG HG2 2.453 . 3.173 3.004 2.525 3.218 0.045 13 0 "[ . 1 . 2]" 1
1317 2 115 ILE H 2 115 ILE HG12 3.038 . 4.148 4.241 4.179 4.329 0.181 18 0 "[ . 1 . 2]" 1
1318 2 58 LEU MD2 2 112 GLN HE22 2.872 . 3.863 3.795 3.495 3.984 0.121 8 0 "[ . 1 . 2]" 1
1319 2 58 LEU MD2 2 112 GLN HE21 2.993 . 4.069 4.243 4.169 4.354 0.285 12 0 "[ . 1 . 2]" 1
1320 2 75 SER H 2 75 SER HB3 2.902 . 3.914 2.854 2.536 3.076 . 0 0 "[ . 1 . 2]" 1
1321 2 75 SER H 2 75 SER HB2 2.946 . 3.990 3.497 2.594 3.614 . 0 0 "[ . 1 . 2]" 1
1322 2 75 SER HB2 2 77 GLY H 3.262 . 4.545 2.200 1.972 3.926 . 0 0 "[ . 1 . 2]" 1
1323 2 35 ILE MG 2 36 VAL MG2 2.287 . 2.941 2.294 2.208 2.384 . 0 0 "[ . 1 . 2]" 1
1324 2 39 VAL HB 2 115 ILE MG 2.406 . 3.130 3.271 3.212 3.333 0.203 18 0 "[ . 1 . 2]" 1
1325 2 36 VAL HA 2 39 VAL MG1 2.507 . 3.293 2.229 2.014 2.353 . 0 0 "[ . 1 . 2]" 1
1326 2 36 VAL MG2 2 115 ILE HG12 1.732 . 2.107 2.330 2.282 2.386 0.279 7 0 "[ . 1 . 2]" 1
1327 2 56 GLU QG 2 116 ILE MD 1.989 . 2.483 2.429 2.084 2.528 0.045 5 0 "[ . 1 . 2]" 1
1328 2 85 ALA HA 2 88 ALA MB 2.436 . 3.146 1.974 1.907 2.026 . 0 0 "[ . 1 . 2]" 1
1329 2 88 ALA HA 2 91 ASN HB3 2.710 . 3.591 3.441 3.259 3.647 0.056 5 0 "[ . 1 . 2]" 1
1330 2 109 LEU HA 2 109 LEU HG 2.311 . 2.979 3.012 2.963 3.091 0.112 9 0 "[ . 1 . 2]" 1
1331 2 40 SER HA 2 43 TRP HB3 2.920 . 3.944 1.824 1.785 1.885 0.070 14 0 "[ . 1 . 2]" 1
1332 2 40 SER HA 2 43 TRP HB2 2.918 . 3.942 2.483 2.252 2.684 . 0 0 "[ . 1 . 2]" 1
1333 2 119 PRO HD2 2 119 PRO HG3 2.784 . 3.714 2.722 2.571 3.001 . 0 0 "[ . 1 . 2]" 1
1334 2 119 PRO HD3 2 119 PRO HG3 2.780 . 3.707 2.294 2.257 2.384 . 0 0 "[ . 1 . 2]" 1
1335 2 118 LYS HA 2 119 PRO HG3 3.282 . 4.579 4.332 3.678 4.446 . 0 0 "[ . 1 . 2]" 1
1336 2 61 MET HA 2 61 MET HG3 2.621 . 3.445 2.491 2.424 2.571 . 0 0 "[ . 1 . 2]" 1
1337 2 112 GLN HA 2 112 GLN HG2 2.424 . 3.127 2.589 2.342 2.847 . 0 0 "[ . 1 . 2]" 1
1338 2 103 ARG QD 2 106 PHE QD 2.866 . 3.853 2.990 1.913 3.788 . 0 0 "[ . 1 . 2]" 1
1339 2 103 ARG HB2 2 103 ARG QD 2.659 . 3.508 2.802 2.179 3.298 . 0 0 "[ . 1 . 2]" 1
1340 2 60 GLU HB3 2 69 ASN HB2 2.431 . 3.170 2.971 2.299 3.197 0.027 7 0 "[ . 1 . 2]" 1
1341 2 60 GLU HB3 2 69 ASN HB3 2.372 . 3.075 3.219 3.170 3.347 0.272 14 0 "[ . 1 . 2]" 1
1342 2 60 GLU HB2 2 69 ASN HB3 2.479 . 3.215 1.753 1.693 1.960 0.080 4 0 "[ . 1 . 2]" 1
1343 2 60 GLU HB2 2 69 ASN HB2 2.475 . 3.208 2.292 1.926 2.457 . 0 0 "[ . 1 . 2]" 1
1344 2 21 ASP HA 2 21 ASP HB3 2.198 . 2.802 2.459 2.348 2.921 0.119 9 0 "[ . 1 . 2]" 1
1345 2 59 ILE HA 2 59 ILE HB 2.264 . 2.905 2.588 2.262 2.977 0.072 9 0 "[ . 1 . 2]" 1
1346 2 59 ILE HB 2 60 GLU H 2.428 . 3.133 3.094 2.833 3.300 0.167 1 0 "[ . 1 . 2]" 1
1347 2 121 ASP HA 2 121 ASP HB2 2.307 . 2.943 2.673 2.412 3.003 0.060 20 0 "[ . 1 . 2]" 1
1348 2 102 PRO HD2 2 102 PRO HG3 2.391 . 3.074 2.952 2.945 2.959 . 0 0 "[ . 1 . 2]" 1
1349 2 118 LYS HE2 2 118 LYS QG 2.804 . 3.748 2.274 1.806 3.216 0.019 15 0 "[ . 1 . 2]" 1
1350 2 102 PRO HD2 2 105 THR MG 2.678 . 3.539 2.448 2.398 2.524 . 0 0 "[ . 1 . 2]" 1
1351 2 65 GLY HA3 2 98 MET ME 2.972 . 4.034 4.062 3.781 4.151 0.117 12 0 "[ . 1 . 2]" 1
1352 2 53 MET HA 2 53 MET ME 2.652 . 3.496 3.641 3.580 3.684 0.188 17 0 "[ . 1 . 2]" 1
1353 2 50 ARG H 2 53 MET ME 2.597 . 3.405 3.372 3.000 3.466 0.061 2 0 "[ . 1 . 2]" 1
1354 2 53 MET ME 2 81 PHE QD 2.447 . 3.163 2.761 2.357 3.193 0.030 19 0 "[ . 1 . 2]" 1
1355 2 53 MET ME 2 81 PHE H 3.152 . 4.347 4.396 4.125 4.512 0.165 18 0 "[ . 1 . 2]" 1
1356 2 53 MET ME 2 53 MET QG 2.114 . 2.647 2.340 2.234 2.437 . 0 0 "[ . 1 . 2]" 1
1357 2 53 MET ME 2 78 ASP HB2 1.647 . 1.967 1.983 1.774 2.049 0.082 14 0 "[ . 1 . 2]" 1
1358 2 61 MET ME 2 65 GLY HA3 2.446 . 3.194 3.328 3.265 3.440 0.246 10 0 "[ . 1 . 2]" 1
1359 2 99 GLN HA 2 100 GLN H 2.650 . 3.493 3.270 3.225 3.374 . 0 0 "[ . 1 . 2]" 1
1360 2 96 PRO HA 2 96 PRO HB3 2.253 . 2.859 2.207 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
1361 2 111 ARG HD2 2 111 ARG HG2 2.422 . 3.125 2.968 2.917 2.995 . 0 0 "[ . 1 . 2]" 1
1362 2 72 VAL QG 2 74 ARG H 2.296 . 2.925 2.396 2.281 2.501 . 0 0 "[ . 1 . 2]" 1
1363 2 38 LEU HB3 2 92 VAL MG1 2.519 . 3.312 2.639 2.450 2.899 . 0 0 "[ . 1 . 2]" 1
1364 2 81 PHE HA 2 81 PHE HB3 2.664 . 3.514 3.030 3.019 3.035 . 0 0 "[ . 1 . 2]" 1
1365 2 81 PHE HA 2 81 PHE HB2 2.774 . 3.698 2.511 2.449 2.552 . 0 0 "[ . 1 . 2]" 1
1366 2 81 PHE HB3 2 82 ASP H 2.863 . 3.848 2.296 2.128 2.413 . 0 0 "[ . 1 . 2]" 1
1367 2 65 GLY HA3 2 98 MET HG3 2.771 . 3.692 2.614 2.004 3.799 0.107 11 0 "[ . 1 . 2]" 1
1368 2 54 SER HA 2 55 VAL QG 2.940 . 3.980 3.042 2.914 3.193 . 0 0 "[ . 1 . 2]" 1
1369 2 95 ILE H 2 95 ILE MG 2.719 . 3.605 3.687 3.564 3.744 0.139 7 0 "[ . 1 . 2]" 1
1370 2 44 ARG H 2 88 ALA MB 2.435 . 3.144 3.381 3.327 3.481 0.337 17 0 "[ . 1 . 2]" 1
1371 2 88 ALA H 2 88 ALA MB 2.040 . 2.536 2.257 2.242 2.272 . 0 0 "[ . 1 . 2]" 1
1372 1 6 ILE H 1 6 ILE MD 3.353 . 4.731 4.294 4.172 4.618 . 0 0 "[ . 1 . 2]" 1
1373 1 6 ILE MD 1 7 SER H 3.235 . 4.516 2.970 2.634 4.182 . 0 0 "[ . 1 . 2]" 1
1374 1 6 ILE H 1 6 ILE HB 3.089 . 4.257 2.922 2.785 3.086 . 0 0 "[ . 1 . 2]" 1
1375 1 5 VAL MG1 1 6 ILE H 2.500 . 3.264 3.382 3.084 4.249 0.985 12 3 "[ * .- 1 + . 2]" 1
1376 1 6 ILE H 1 6 ILE QG 3.357 . 4.738 4.045 3.985 4.083 . 0 0 "[ . 1 . 2]" 1
1377 1 6 ILE HB 1 7 SER H 3.609 . 5.206 4.303 4.108 4.406 . 0 0 "[ . 1 . 2]" 1
1378 1 6 ILE QG 1 7 SER H 2.630 . 3.495 3.079 2.290 3.428 . 0 0 "[ . 1 . 2]" 1
1379 1 5 VAL MG1 1 7 SER H 3.169 . 4.399 3.812 3.217 5.021 0.622 2 2 "[ + .- 1 . 2]" 1
1380 1 1 ALA MB 1 2 ASP H 3.118 . 4.309 2.757 1.849 3.516 0.054 15 0 "[ . 1 . 2]" 1
1381 1 6 ILE QG 1 8 SER H 2.465 . 3.207 2.786 2.181 3.190 . 0 0 "[ . 1 . 2]" 1
1382 1 5 VAL H 1 5 VAL MG2 2.321 . 2.979 2.452 2.062 3.759 0.780 12 3 "[ * .- 1 + . 2]" 1
1383 1 13 ALA H 1 13 ALA MB 2.148 . 2.709 2.487 2.244 2.817 0.108 13 0 "[ . 1 . 2]" 1
1384 1 12 ARG H 1 12 ARG HB3 2.620 . 3.460 3.342 2.427 3.951 0.491 20 0 "[ . 1 . 2]" 1
1385 1 12 ARG H 1 12 ARG HG2 2.451 . 3.184 2.873 2.009 3.416 0.232 18 0 "[ . 1 . 2]" 1
1386 1 12 ARG H 1 12 ARG HG3 2.545 . 3.337 2.655 1.725 3.352 0.015 12 0 "[ . 1 . 2]" 1
1387 1 12 ARG HG3 1 13 ALA H 3.066 . 4.218 4.390 3.125 5.045 0.827 17 6 "[ .** * *.-+ 2]" 1
1388 1 5 VAL H 1 5 VAL HB 2.580 . 3.392 2.507 2.400 2.829 . 0 0 "[ . 1 . 2]" 1
1389 1 4 LEU HB2 1 5 VAL H 2.967 . 4.043 4.099 3.957 4.406 0.363 2 0 "[ . 1 . 2]" 1
1390 1 5 VAL HB 1 6 ILE H 3.255 . 4.552 4.403 4.190 4.491 . 0 0 "[ . 1 . 2]" 1
1391 1 10 ASN HB2 1 10 ASN HD21 2.773 . 3.712 2.745 2.171 3.439 . 0 0 "[ . 1 . 2]" 1
1392 1 10 ASN HB3 1 10 ASN HD21 2.791 . 3.743 2.709 2.186 3.531 . 0 0 "[ . 1 . 2]" 1
1393 1 10 ASN HB2 1 10 ASN HD22 2.926 . 3.974 3.704 3.454 4.030 0.056 7 0 "[ . 1 . 2]" 1
1394 1 11 ASP HB2 1 12 ARG H 3.002 . 4.104 4.132 3.590 4.378 0.274 8 0 "[ . 1 . 2]" 1
1395 1 10 ASN HB3 1 12 ARG H 3.277 . 4.594 3.775 2.563 5.196 0.602 9 1 "[ . +1 . 2]" 1
1396 1 11 ASP HB3 1 12 ARG H 2.942 . 4.001 3.357 2.121 4.151 0.150 1 0 "[ . 1 . 2]" 1
1397 1 11 ASP H 1 11 ASP HB2 2.499 . 3.262 2.573 2.261 3.298 0.036 3 0 "[ . 1 . 2]" 1
1398 1 10 ASN H 1 10 ASN HB2 2.771 . 3.710 3.134 2.324 3.891 0.181 14 0 "[ . 1 . 2]" 1
1399 1 10 ASN HB3 1 11 ASP H 2.730 . 3.642 3.603 3.327 3.905 0.263 1 0 "[ . 1 . 2]" 1
1400 1 10 ASN H 1 10 ASN HB3 2.745 . 3.667 2.905 2.480 3.604 . 0 0 "[ . 1 . 2]" 1
1401 1 11 ASP H 1 11 ASP HB3 2.439 . 3.165 2.679 2.362 3.463 0.298 17 0 "[ . 1 . 2]" 1
1402 1 2 ASP H 1 2 ASP HB2 3.343 . 4.713 2.966 2.392 3.543 . 0 0 "[ . 1 . 2]" 1
1403 1 2 ASP H 1 2 ASP HB3 3.160 . 4.383 2.894 2.305 3.716 . 0 0 "[ . 1 . 2]" 1
1404 1 9 GLY HA3 1 10 ASN H 2.677 . 3.553 2.965 2.061 3.498 . 0 0 "[ . 1 . 2]" 1
1405 1 12 ARG H 1 12 ARG HD2 3.244 . 4.532 4.593 2.834 5.161 0.629 16 2 "[ . 1 .+ -2]" 1
1406 1 6 ILE HA 1 7 SER H 2.376 . 3.066 2.114 2.060 2.160 . 0 0 "[ . 1 . 2]" 1
1407 1 7 SER H 1 7 SER QB 3.044 . 4.178 2.837 2.651 2.972 . 0 0 "[ . 1 . 2]" 1
1408 1 1 ALA HA 1 2 ASP H 2.948 . 4.012 2.704 2.107 3.499 . 0 0 "[ . 1 . 2]" 1
1409 1 3 PRO HA 1 4 LEU H 2.353 . 3.028 2.184 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
1410 1 4 LEU H 1 4 LEU HA 2.800 . 3.760 2.936 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
1411 1 5 VAL H 1 5 VAL HA 2.409 . 3.117 2.853 2.828 2.876 . 0 0 "[ . 1 . 2]" 1
1412 1 8 SER H 1 8 SER QB 2.897 . 3.924 2.559 2.196 3.242 . 0 0 "[ . 1 . 2]" 1
1413 1 7 SER QB 1 8 SER H 3.116 . 4.305 3.277 1.954 3.843 . 0 0 "[ . 1 . 2]" 1
1414 1 12 ARG HA 1 13 ALA H 2.159 . 2.728 2.448 2.040 2.789 0.061 19 0 "[ . 1 . 2]" 1
1415 1 13 ALA H 1 13 ALA HA 2.485 . 3.239 2.890 2.251 2.951 . 0 0 "[ . 1 . 2]" 1
1416 1 12 ARG H 1 12 ARG HA 2.342 . 3.012 2.605 2.246 2.945 . 0 0 "[ . 1 . 2]" 1
1417 1 11 ASP HA 1 12 ARG H 2.763 . 3.697 3.130 2.343 3.585 . 0 0 "[ . 1 . 2]" 1
1418 1 9 GLY HA2 1 10 ASN H 2.721 . 3.626 2.497 2.092 3.234 . 0 0 "[ . 1 . 2]" 1
1419 1 7 SER HA 1 8 SER H 3.022 . 4.141 3.416 3.160 3.592 . 0 0 "[ . 1 . 2]" 1
1420 1 9 GLY H 1 12 ARG HE 3.256 . 4.581 4.395 3.158 4.746 0.165 9 0 "[ . 1 . 2]" 1
1421 1 10 ASN HD22 1 12 ARG H 3.319 . 4.669 3.959 2.689 5.159 0.490 2 0 "[ . 1 . 2]" 1
1422 1 5 VAL H 1 6 ILE H 3.339 . 4.705 4.282 4.211 4.450 . 0 0 "[ . 1 . 2]" 1
1423 1 6 ILE H 1 7 SER H 3.351 . 4.727 4.303 4.181 4.475 . 0 0 "[ . 1 . 2]" 1
1424 1 7 SER H 1 8 SER H 2.355 . 3.032 2.338 1.955 3.034 0.002 12 0 "[ . 1 . 2]" 1
1425 1 11 ASP H 1 12 ARG H 2.466 . 3.209 2.690 1.666 3.271 0.062 1 0 "[ . 1 . 2]" 1
1426 1 9 GLY H 1 10 ASN H 3.214 . 4.480 3.580 2.807 4.548 0.068 7 0 "[ . 1 . 2]" 1
1427 1 6 ILE MG 1 7 SER H 3.617 . 5.222 4.128 3.968 4.215 . 0 0 "[ . 1 . 2]" 1
1428 1 3 PRO HB2 1 4 LEU H 2.868 . 3.897 4.015 3.906 4.096 0.199 14 0 "[ . 1 . 2]" 1
1429 2 105 THR H 2 106 PHE H 2.617 . 3.463 2.192 2.123 2.271 . 0 0 "[ . 1 . 2]" 1
1430 2 112 GLN H 2 113 ARG H 3.305 . 4.657 4.188 4.038 4.307 . 0 0 "[ . 1 . 2]" 1
1431 2 104 ALA H 2 106 PHE H 3.443 . 4.912 4.081 3.716 4.187 . 0 0 "[ . 1 . 2]" 1
1432 2 104 ALA H 2 105 THR H 2.629 . 3.483 2.658 2.405 2.782 . 0 0 "[ . 1 . 2]" 1
1433 2 43 TRP H 2 44 ARG H 3.505 . 5.027 4.318 4.303 4.346 . 0 0 "[ . 1 . 2]" 1
1434 2 43 TRP HD1 2 44 ARG H 2.750 . 3.685 1.979 1.824 2.183 . 0 0 "[ . 1 . 2]" 1
1435 2 43 TRP HA 2 44 ARG H 2.547 . 3.348 2.353 2.308 2.410 . 0 0 "[ . 1 . 2]" 1
1436 2 40 SER HA 2 44 ARG H 3.235 . 4.531 4.788 4.749 4.860 0.329 1 0 "[ . 1 . 2]" 1
1437 2 43 TRP HB3 2 44 ARG H 3.169 . 4.412 3.032 2.957 3.105 . 0 0 "[ . 1 . 2]" 1
1438 2 43 TRP HB2 2 44 ARG H 3.492 . 5.003 3.457 3.419 3.497 . 0 0 "[ . 1 . 2]" 1
1439 2 84 SER HG 2 85 ALA H 3.201 . 4.469 2.142 2.057 2.182 . 0 0 "[ . 1 . 2]" 1
1440 2 83 SER HA 2 85 ALA H 2.945 . 4.018 3.719 3.652 3.813 . 0 0 "[ . 1 . 2]" 1
1441 2 85 ALA H 2 86 VAL HA 4.009 . 6.000 5.018 4.982 5.063 . 0 0 "[ . 1 . 2]" 1
1442 2 85 ALA H 2 85 ALA HA 2.866 . 3.882 2.921 2.908 2.935 . 0 0 "[ . 1 . 2]" 1
1443 2 85 ALA H 2 86 VAL HB 3.525 . 5.065 4.436 4.389 4.483 . 0 0 "[ . 1 . 2]" 1
1444 2 85 ALA H 2 86 VAL MG2 3.007 . 4.127 3.412 3.349 3.474 . 0 0 "[ . 1 . 2]" 1
1445 2 123 SER HA 2 124 LEU H 2.473 . 3.228 3.393 3.369 3.451 0.223 14 0 "[ . 1 . 2]" 1
1446 2 124 LEU H 2 124 LEU HA 2.401 . 3.113 2.872 2.572 2.925 . 0 0 "[ . 1 . 2]" 1
1447 2 51 ASN HD22 2 124 LEU H 3.613 . 5.230 4.201 3.655 5.227 . 0 0 "[ . 1 . 2]" 1
1448 2 51 ASN HD21 2 124 LEU H 3.323 . 4.690 4.421 3.464 4.775 0.085 4 0 "[ . 1 . 2]" 1
1449 2 122 LEU HB2 2 124 LEU H 2.719 . 3.633 3.099 2.745 3.534 . 0 0 "[ . 1 . 2]" 1
1450 2 122 LEU HB3 2 124 LEU H 2.063 . 2.589 2.293 1.775 2.562 0.080 16 0 "[ . 1 . 2]" 1
1451 2 124 LEU H 2 124 LEU QD 2.657 . 3.531 2.080 1.479 3.411 0.295 5 0 "[ . 1 . 2]" 1
1452 2 67 ILE H 2 94 ARG HA 2.891 . 3.924 2.682 2.229 3.050 . 0 0 "[ . 1 . 2]" 1
1453 2 66 THR MG 2 67 ILE H 2.532 . 3.324 2.875 2.637 3.019 . 0 0 "[ . 1 . 2]" 1
1454 2 55 VAL HA 2 56 GLU H 2.409 . 3.126 2.176 2.111 2.226 . 0 0 "[ . 1 . 2]" 1
1455 2 55 VAL HB 2 56 GLU H 3.339 . 4.720 3.975 3.841 4.113 . 0 0 "[ . 1 . 2]" 1
1456 2 56 GLU H 2 56 GLU HB3 2.794 . 3.768 2.909 2.824 3.014 . 0 0 "[ . 1 . 2]" 1
1457 2 56 GLU H 2 74 ARG HB2 2.917 . 3.970 3.713 2.358 4.385 0.415 14 0 "[ . 1 . 2]" 1
1458 2 56 GLU H 2 116 ILE MD 3.443 . 4.912 3.148 2.996 4.072 . 0 0 "[ . 1 . 2]" 1
1459 2 44 ARG HA 2 45 ARG H 2.786 . 3.746 2.223 2.141 2.490 . 0 0 "[ . 1 . 2]" 1
1460 2 45 ARG H 2 45 ARG HB2 3.065 . 4.228 3.166 2.390 3.805 . 0 0 "[ . 1 . 2]" 1
1461 2 58 LEU H 2 71 SER H 2.978 . 4.075 3.363 3.295 3.438 . 0 0 "[ . 1 . 2]" 1
1462 2 56 GLU HA 2 58 LEU H 3.988 . 5.960 5.713 5.609 5.782 . 0 0 "[ . 1 . 2]" 1
1463 2 58 LEU H 2 70 ALA HA 3.423 . 4.873 4.948 4.895 4.982 0.109 13 0 "[ . 1 . 2]" 1
1464 2 57 VAL HA 2 58 LEU H 2.376 . 3.074 2.109 2.072 2.153 . 0 0 "[ . 1 . 2]" 1
1465 2 58 LEU H 2 72 VAL HA 3.113 . 4.314 3.580 3.398 3.699 . 0 0 "[ . 1 . 2]" 1
1466 2 58 LEU H 2 73 SER QB 3.521 . 5.056 2.191 1.931 2.574 0.041 1 0 "[ . 1 . 2]" 1
1467 2 57 VAL HB 2 58 LEU H 3.350 . 4.740 4.335 4.301 4.408 . 0 0 "[ . 1 . 2]" 1
1468 2 55 VAL H 2 117 PHE H 3.357 . 4.752 2.445 2.295 2.705 . 0 0 "[ . 1 . 2]" 1
1469 2 117 PHE H 2 117 PHE QD 3.390 . 4.814 2.271 2.112 2.408 . 0 0 "[ . 1 . 2]" 1
1470 2 54 SER HA 2 117 PHE H 3.618 . 5.240 4.213 3.999 4.453 . 0 0 "[ . 1 . 2]" 1
1471 2 56 GLU HA 2 117 PHE H 3.109 . 4.305 3.853 3.642 4.045 . 0 0 "[ . 1 . 2]" 1
1472 2 117 PHE H 2 117 PHE HA 2.510 . 3.289 2.906 2.893 2.919 . 0 0 "[ . 1 . 2]" 1
1473 2 116 ILE HB 2 117 PHE H 3.292 . 4.634 4.554 4.465 4.585 . 0 0 "[ . 1 . 2]" 1
1474 2 115 ILE HA 2 116 ILE H 2.533 . 3.327 2.234 2.188 2.268 . 0 0 "[ . 1 . 2]" 1
1475 2 57 VAL H 2 115 ILE H 3.355 . 4.749 2.899 2.553 3.197 . 0 0 "[ . 1 . 2]" 1
1476 2 57 VAL H 2 116 ILE HG12 3.401 . 4.847 4.034 3.922 4.202 . 0 0 "[ . 1 . 2]" 1
1477 2 55 VAL QG 2 57 VAL H 3.610 . 5.225 3.972 3.593 4.222 . 0 0 "[ . 1 . 2]" 1
1478 2 43 TRP HE1 2 84 SER HG 3.082 . 4.257 2.124 2.051 2.223 . 0 0 "[ . 1 . 2]" 1
1479 2 43 TRP HA 2 43 TRP HE1 3.323 . 4.690 4.627 4.549 4.683 . 0 0 "[ . 1 . 2]" 1
1480 2 43 TRP HE1 2 84 SER HA 2.963 . 4.050 4.163 4.130 4.192 0.142 15 0 "[ . 1 . 2]" 1
1481 2 43 TRP HE1 2 84 SER HB2 3.015 . 4.139 2.772 2.670 2.874 . 0 0 "[ . 1 . 2]" 1
1482 2 43 TRP HE1 2 81 PHE HA 3.066 . 4.230 4.138 4.040 4.275 0.045 18 0 "[ . 1 . 2]" 1
1483 2 43 TRP HE1 2 85 ALA HA 3.289 . 4.629 2.940 2.833 3.044 . 0 0 "[ . 1 . 2]" 1
1484 2 43 TRP HE1 2 88 ALA MB 3.415 . 4.860 3.978 3.917 4.022 . 0 0 "[ . 1 . 2]" 1
1485 2 43 TRP HE1 2 85 ALA MB 3.324 . 4.692 2.632 2.540 2.823 . 0 0 "[ . 1 . 2]" 1
1486 2 78 ASP HB3 2 79 LYS H 3.472 . 4.966 4.065 3.700 4.290 . 0 0 "[ . 1 . 2]" 1
1487 2 73 SER H 2 74 ARG H 2.720 . 3.635 2.200 2.125 2.256 . 0 0 "[ . 1 . 2]" 1
1488 2 103 ARG H 2 104 ALA H 3.405 . 4.841 2.771 2.691 2.865 . 0 0 "[ . 1 . 2]" 1
1489 2 102 PRO HA 2 103 ARG H 2.646 . 3.513 2.246 2.183 2.288 . 0 0 "[ . 1 . 2]" 1
1490 2 102 PRO HG3 2 103 ARG H 3.545 . 5.101 5.073 4.897 5.132 0.031 13 0 "[ . 1 . 2]" 1
1491 2 103 ARG H 2 104 ALA MB 3.123 . 4.330 4.390 4.299 4.493 0.163 11 0 "[ . 1 . 2]" 1
1492 2 113 ARG HE 2 114 ARG H 3.600 . 5.205 4.658 2.814 5.257 0.052 4 0 "[ . 1 . 2]" 1
1493 2 113 ARG HA 2 114 ARG H 2.584 . 3.409 2.281 2.113 2.374 . 0 0 "[ . 1 . 2]" 1
1494 2 114 ARG H 2 114 ARG HG3 2.289 . 2.944 2.791 2.462 3.086 0.142 15 0 "[ . 1 . 2]" 1
1495 2 58 LEU MD1 2 114 ARG H 3.076 . 4.248 3.548 3.183 4.224 . 0 0 "[ . 1 . 2]" 1
1496 2 46 PRO HA 2 49 ALA H 4.257 . 6.503 4.635 4.513 4.786 . 0 0 "[ . 1 . 2]" 1
1497 2 49 ALA H 2 50 ARG HA 3.964 . 5.912 5.519 5.319 5.627 . 0 0 "[ . 1 . 2]" 1
1498 2 47 PRO HA 2 49 ALA H 3.148 . 4.375 4.040 3.814 4.209 . 0 0 "[ . 1 . 2]" 1
1499 2 46 PRO HD2 2 49 ALA H 3.082 . 4.259 3.091 2.761 3.381 . 0 0 "[ . 1 . 2]" 1
1500 2 46 PRO HD3 2 49 ALA H 3.379 . 4.793 4.495 4.209 4.706 . 0 0 "[ . 1 . 2]" 1
1501 2 46 PRO HG3 2 49 ALA H 2.814 . 3.793 3.863 3.823 4.115 0.322 20 0 "[ . 1 . 2]" 1
1502 2 46 PRO HG2 2 49 ALA H 3.020 . 4.160 2.100 2.053 2.358 . 0 0 "[ . 1 . 2]" 1
1503 2 49 ALA H 2 49 ALA MB 2.141 . 2.706 2.229 2.211 2.261 . 0 0 "[ . 1 . 2]" 1
1504 2 45 ARG QG 2 49 ALA H 4.249 . 6.488 5.760 4.766 6.217 . 0 0 "[ . 1 . 2]" 1
1505 2 50 ARG H 2 50 ARG HA 2.808 . 3.784 2.940 2.929 2.950 . 0 0 "[ . 1 . 2]" 1
1506 2 50 ARG H 2 53 MET HA 3.629 . 5.260 4.891 4.516 5.112 . 0 0 "[ . 1 . 2]" 1
1507 2 46 PRO HD2 2 50 ARG H 8.033 . 16.048 5.816 5.650 6.015 . 0 0 "[ . 1 . 2]" 1
1508 2 50 ARG H 2 50 ARG HD2 3.894 . 5.772 4.954 4.596 5.221 . 0 0 "[ . 1 . 2]" 1
1509 2 50 ARG H 2 50 ARG HB3 2.845 . 3.846 3.723 3.573 3.845 . 0 0 "[ . 1 . 2]" 1
1510 2 49 ALA MB 2 50 ARG H 2.576 . 3.397 2.838 2.678 3.099 . 0 0 "[ . 1 . 2]" 1
1511 2 50 ARG H 2 53 MET QG 2.912 . 3.962 2.973 2.760 3.296 . 0 0 "[ . 1 . 2]" 1
1512 2 50 ARG H 2 122 LEU MD2 3.066 . 4.229 3.777 3.573 3.914 . 0 0 "[ . 1 . 2]" 1
1513 2 92 VAL H 2 93 GLY H 2.502 . 3.276 2.364 2.234 2.460 . 0 0 "[ . 1 . 2]" 1
1514 2 91 ASN HA 2 92 VAL H 2.853 . 3.860 3.470 3.424 3.501 . 0 0 "[ . 1 . 2]" 1
1515 2 88 ALA HA 2 92 VAL H 3.643 . 5.287 4.805 4.706 4.968 . 0 0 "[ . 1 . 2]" 1
1516 2 89 VAL HA 2 92 VAL H 2.723 . 3.641 3.713 3.685 3.764 0.123 6 0 "[ . 1 . 2]" 1
1517 2 42 GLN QG 2 92 VAL H 2.244 . 2.873 2.574 2.443 2.797 . 0 0 "[ . 1 . 2]" 1
1518 2 53 MET H 2 119 PRO HD3 3.573 . 5.154 4.822 3.012 5.168 0.014 19 0 "[ . 1 . 2]" 1
1519 2 53 MET H 2 119 PRO HD2 3.571 . 5.152 3.606 2.822 4.037 . 0 0 "[ . 1 . 2]" 1
1520 2 52 GLY QA 2 53 MET H 2.867 . 3.883 2.746 2.610 2.943 . 0 0 "[ . 1 . 2]" 1
1521 2 53 MET H 2 119 PRO HG3 3.946 . 5.877 3.753 2.481 4.214 . 0 0 "[ . 1 . 2]" 1
1522 2 53 MET H 2 53 MET ME 3.157 . 4.390 4.503 4.424 4.597 0.207 15 0 "[ . 1 . 2]" 1
1523 2 53 MET H 2 53 MET HB2 2.333 . 3.006 2.974 1.969 3.370 0.364 7 0 "[ . 1 . 2]" 1
1524 2 53 MET H 2 53 MET HB3 2.397 . 3.107 2.332 1.909 3.249 0.142 3 0 "[ . 1 . 2]" 1
1525 2 101 LEU H 2 101 LEU HA 2.576 . 3.397 2.714 2.620 2.874 . 0 0 "[ . 1 . 2]" 1
1526 2 100 GLN HA 2 101 LEU H 2.613 . 3.467 3.438 3.235 3.532 0.065 5 0 "[ . 1 . 2]" 1
1527 2 100 GLN HB2 2 101 LEU H 2.696 . 3.595 2.518 1.947 3.388 . 0 0 "[ . 1 . 2]" 1
1528 2 97 GLU QB 2 101 LEU H 3.603 . 5.211 4.557 4.038 5.116 . 0 0 "[ . 1 . 2]" 1
1529 2 101 LEU H 2 101 LEU HB3 2.540 . 3.337 3.343 2.207 3.565 0.228 20 0 "[ . 1 . 2]" 1
1530 2 101 LEU H 2 101 LEU QD 2.654 . 3.525 3.115 2.967 3.335 . 0 0 "[ . 1 . 2]" 1
1531 2 100 GLN HG3 2 101 LEU H 3.073 . 4.241 3.854 2.636 4.305 0.064 13 0 "[ . 1 . 2]" 1
1532 2 100 GLN HG2 2 101 LEU H 2.717 . 3.630 3.798 3.691 4.433 0.803 1 1 "[+ . 1 . 2]" 1
1533 2 111 ARG H 2 112 GLN HA 3.856 . 5.699 5.129 5.077 5.203 . 0 0 "[ . 1 . 2]" 1
1534 2 107 ASP HA 2 111 ARG H 2.695 . 3.594 3.248 3.105 3.426 . 0 0 "[ . 1 . 2]" 1
1535 2 109 LEU HA 2 111 ARG H 3.226 . 4.515 4.717 4.647 4.754 0.239 14 0 "[ . 1 . 2]" 1
1536 2 110 TYR HB3 2 111 ARG H 3.247 . 4.553 4.216 4.130 4.344 . 0 0 "[ . 1 . 2]" 1
1537 2 110 TYR HB2 2 111 ARG H 3.058 . 4.215 3.370 3.298 3.502 . 0 0 "[ . 1 . 2]" 1
1538 2 111 ARG H 2 111 ARG HG2 2.906 . 3.951 3.848 3.093 4.094 0.143 17 0 "[ . 1 . 2]" 1
1539 2 111 ARG H 2 111 ARG HB3 2.250 . 2.875 2.129 1.891 2.881 0.006 13 0 "[ . 1 . 2]" 1
1540 2 107 ASP HB3 2 111 ARG H 4.140 . 6.265 5.753 5.641 5.845 . 0 0 "[ . 1 . 2]" 1
1541 2 107 ASP HB2 2 111 ARG H 4.096 . 6.175 5.580 5.482 5.704 . 0 0 "[ . 1 . 2]" 1
1542 2 84 SER HG 2 86 VAL H 3.622 . 5.247 4.410 4.307 4.462 . 0 0 "[ . 1 . 2]" 1
1543 2 86 VAL H 2 86 VAL HA 2.513 . 3.294 2.846 2.832 2.857 . 0 0 "[ . 1 . 2]" 1
1544 2 85 ALA HA 2 86 VAL H 3.130 . 4.344 3.537 3.510 3.555 . 0 0 "[ . 1 . 2]" 1
1545 2 86 VAL H 2 88 ALA MB 3.761 . 5.514 4.267 4.235 4.304 . 0 0 "[ . 1 . 2]" 1
1546 2 86 VAL H 2 87 ALA MB 3.049 . 4.200 4.235 4.218 4.251 0.051 5 0 "[ . 1 . 2]" 1
1547 2 86 VAL H 2 89 VAL MG1 3.352 . 4.742 4.655 4.607 4.695 . 0 0 "[ . 1 . 2]" 1
1548 2 85 ALA MB 2 86 VAL H 2.445 . 3.184 2.640 2.605 2.716 . 0 0 "[ . 1 . 2]" 1
1549 2 103 ARG HB3 2 105 THR H 3.396 . 4.824 5.072 4.816 5.427 0.603 15 6 "[* . - 1 * +* *2]" 1
1550 2 101 LEU QD 2 105 THR H 3.822 . 4.518 4.013 3.032 4.228 . 0 0 "[ . 1 . 2]" 1
1551 2 105 THR H 2 109 LEU QD 4.783 . 7.621 5.084 4.986 5.228 . 0 0 "[ . 1 . 2]" 1
1552 2 102 PRO HA 2 105 THR H 3.308 . 4.663 4.118 4.091 4.150 . 0 0 "[ . 1 . 2]" 1
1553 2 105 THR H 2 105 THR HB 2.222 . 2.831 2.345 2.306 2.449 . 0 0 "[ . 1 . 2]" 1
1554 2 105 THR H 2 105 THR HA 2.432 . 3.143 2.873 2.862 2.882 . 0 0 "[ . 1 . 2]" 1
1555 2 102 PRO HD2 2 105 THR H 3.322 . 4.689 3.787 3.726 3.863 . 0 0 "[ . 1 . 2]" 1
1556 2 105 THR H 2 106 PHE QD 3.531 . 5.076 5.257 5.218 5.332 0.256 5 0 "[ . 1 . 2]" 1
1557 2 108 SER H 2 110 TYR H 3.041 . 4.186 4.242 4.152 4.294 0.108 17 0 "[ . 1 . 2]" 1
1558 2 110 TYR H 2 112 GLN H 3.452 . 4.927 4.457 4.125 4.707 . 0 0 "[ . 1 . 2]" 1
1559 2 110 TYR H 2 110 TYR HA 2.969 . 4.061 2.938 2.925 2.961 . 0 0 "[ . 1 . 2]" 1
1560 2 109 LEU HA 2 110 TYR H 2.867 . 3.884 3.542 3.520 3.576 . 0 0 "[ . 1 . 2]" 1
1561 2 110 TYR H 2 110 TYR HB3 2.994 . 4.104 3.654 3.597 3.708 . 0 0 "[ . 1 . 2]" 1
1562 2 110 TYR H 2 111 ARG HA 3.604 . 5.213 4.603 4.494 4.661 . 0 0 "[ . 1 . 2]" 1
1563 2 110 TYR H 2 111 ARG HB3 2.871 . 3.891 3.971 3.705 4.686 0.795 2 3 "[ + . - 1 * . 2]" 1
1564 2 109 LEU HG 2 110 TYR H 3.317 . 4.679 3.888 3.765 4.012 . 0 0 "[ . 1 . 2]" 1
1565 2 109 LEU HB2 2 110 TYR H 3.140 . 4.361 2.265 2.137 2.454 . 0 0 "[ . 1 . 2]" 1
1566 2 109 LEU QD 2 110 TYR H 3.413 . 4.855 3.693 3.553 3.875 . 0 0 "[ . 1 . 2]" 1
1567 2 109 LEU HB3 2 110 TYR H 3.681 . 5.360 3.551 3.457 3.650 . 0 0 "[ . 1 . 2]" 1
1568 2 28 THR H 2 28 THR HA 2.353 . 3.045 2.542 2.215 2.952 . 0 0 "[ . 1 . 2]" 1
1569 2 27 VAL HB 2 28 THR H 2.446 . 3.184 1.709 1.625 2.007 0.091 5 0 "[ . 1 . 2]" 1
1570 2 54 SER H 2 81 PHE QD 2.936 . 4.002 4.149 4.086 4.208 0.206 19 0 "[ . 1 . 2]" 1
1571 2 53 MET HA 2 54 SER H 2.197 . 2.793 2.419 2.328 2.506 . 0 0 "[ . 1 . 2]" 1
1572 2 54 SER H 2 54 SER HB3 2.774 . 3.699 3.499 3.244 3.608 . 0 0 "[ . 1 . 2]" 1
1573 2 54 SER H 2 54 SER HB2 2.921 . 3.977 3.907 3.562 4.025 0.048 8 0 "[ . 1 . 2]" 1
1574 2 53 MET QG 2 54 SER H 2.657 . 3.531 2.948 2.586 3.461 . 0 0 "[ . 1 . 2]" 1
1575 2 53 MET HB2 2 54 SER H 2.685 . 3.576 3.556 3.194 4.261 0.685 16 5 "[ * . -* .+* 2]" 1
1576 2 28 THR H 2 29 GLY H 3.082 . 4.259 3.062 2.226 4.321 0.062 7 0 "[ . 1 . 2]" 1
1577 2 29 GLY H 2 29 GLY HA2 2.260 . 2.891 2.608 2.292 2.908 0.017 2 0 "[ . 1 . 2]" 1
1578 2 28 THR MG 2 29 GLY H 3.034 . 4.173 4.081 3.749 4.289 0.116 18 0 "[ . 1 . 2]" 1
1579 2 27 VAL QG 2 29 GLY H 3.365 . 4.768 3.777 2.154 4.651 . 0 0 "[ . 1 . 2]" 1
1580 2 65 GLY H 2 66 THR H 2.674 . 3.559 2.535 2.349 2.806 . 0 0 "[ . 1 . 2]" 1
1581 2 64 ASP H 2 65 GLY H 2.607 . 3.447 2.025 1.953 2.088 . 0 0 "[ . 1 . 2]" 1
1582 2 65 GLY H 2 65 GLY HA3 2.608 . 3.449 2.908 2.884 2.928 . 0 0 "[ . 1 . 2]" 1
1583 2 64 ASP HA 2 65 GLY H 3.023 . 4.153 3.319 3.282 3.363 . 0 0 "[ . 1 . 2]" 1
1584 2 65 GLY H 2 66 THR HB 3.494 . 5.005 4.714 4.322 5.051 0.046 12 0 "[ . 1 . 2]" 1
1585 2 63 PRO HA 2 65 GLY H 3.176 . 4.426 3.758 3.622 4.027 . 0 0 "[ . 1 . 2]" 1
1586 2 62 LEU QD 2 65 GLY H 3.486 . 4.990 3.744 1.903 4.532 0.064 10 0 "[ . 1 . 2]" 1
1587 2 77 GLY H 2 78 ASP H 2.883 . 3.910 2.428 2.225 2.634 . 0 0 "[ . 1 . 2]" 1
1588 2 76 SER HG 2 77 GLY H 3.352 . 4.743 3.609 3.174 4.160 . 0 0 "[ . 1 . 2]" 1
1589 2 77 GLY H 2 77 GLY HA3 2.532 . 3.325 2.923 2.875 2.948 . 0 0 "[ . 1 . 2]" 1
1590 2 76 SER QB 2 77 GLY H 3.051 . 4.204 3.669 3.383 3.774 . 0 0 "[ . 1 . 2]" 1
1591 2 82 ASP H 2 83 SER H 2.687 . 3.581 2.926 2.818 3.089 . 0 0 "[ . 1 . 2]" 1
1592 2 83 SER H 2 84 SER H 2.737 . 3.663 2.760 2.674 2.821 . 0 0 "[ . 1 . 2]" 1
1593 2 83 SER H 2 85 ALA H 3.211 . 4.487 4.015 3.936 4.100 . 0 0 "[ . 1 . 2]" 1
1594 2 83 SER H 2 84 SER HG 3.531 . 5.075 4.280 4.188 4.391 . 0 0 "[ . 1 . 2]" 1
1595 2 80 PRO HA 2 83 SER H 2.932 . 3.996 3.942 3.740 4.014 0.018 19 0 "[ . 1 . 2]" 1
1596 2 79 LYS HA 2 83 SER H 2.821 . 3.806 3.471 3.361 3.575 . 0 0 "[ . 1 . 2]" 1
1597 2 83 SER H 2 83 SER HA 2.352 . 3.043 2.779 2.751 2.830 . 0 0 "[ . 1 . 2]" 1
1598 2 82 ASP HB3 2 83 SER H 2.552 . 3.356 3.278 3.096 3.399 0.043 15 0 "[ . 1 . 2]" 1
1599 2 82 ASP HB2 2 83 SER H 2.635 . 3.493 2.625 2.101 3.707 0.214 16 0 "[ . 1 . 2]" 1
1600 2 72 VAL QG 2 83 SER H 2.807 . 3.782 3.813 3.734 3.924 0.142 20 0 "[ . 1 . 2]" 1
1601 2 52 GLY H 2 53 MET H 2.862 . 3.876 1.923 1.711 3.122 0.127 2 0 "[ . 1 . 2]" 1
1602 2 51 ASN HA 2 52 GLY H 2.372 . 3.067 2.637 2.235 2.894 . 0 0 "[ . 1 . 2]" 1
1603 2 52 GLY H 2 119 PRO HG3 3.324 . 4.692 4.279 2.951 4.567 . 0 0 "[ . 1 . 2]" 1
1604 2 52 GLY H 2 119 PRO HB3 3.505 . 5.026 4.601 3.674 5.053 0.027 18 0 "[ . 1 . 2]" 1
1605 2 52 GLY H 2 53 MET HB3 3.456 . 4.949 3.830 3.147 4.937 . 0 0 "[ . 1 . 2]" 1
1606 2 24 GLY H 2 25 SER H 3.130 . 4.342 3.425 2.108 4.469 0.127 8 0 "[ . 1 . 2]" 1
1607 2 23 VAL HA 2 24 GLY H 2.020 . 2.524 2.425 2.225 2.935 0.411 18 0 "[ . 1 . 2]" 1
1608 2 96 PRO HG3 2 97 GLU H 3.008 . 4.127 3.923 3.513 4.238 0.111 8 0 "[ . 1 . 2]" 1
1609 2 97 GLU H 2 97 GLU QB 3.132 . 4.347 2.388 2.062 2.619 . 0 0 "[ . 1 . 2]" 1
1610 2 95 ILE MG 2 97 GLU H 3.147 . 4.373 2.579 2.253 2.901 . 0 0 "[ . 1 . 2]" 1
1611 2 97 GLU H 2 97 GLU HA 2.979 . 4.078 2.843 2.738 2.893 . 0 0 "[ . 1 . 2]" 1
1612 2 97 GLU H 2 98 MET H 3.492 . 5.002 2.785 2.613 2.998 . 0 0 "[ . 1 . 2]" 1
1613 2 50 ARG HA 2 51 ASN H 2.789 . 3.751 2.573 2.051 2.730 . 0 0 "[ . 1 . 2]" 1
1614 2 50 ARG HB3 2 51 ASN H 3.076 . 4.248 2.266 2.013 3.529 . 0 0 "[ . 1 . 2]" 1
1615 2 114 ARG HA 2 115 ILE H 2.361 . 3.050 2.055 1.947 2.152 . 0 0 "[ . 1 . 2]" 1
1616 2 115 ILE H 2 115 ILE HA 2.976 . 4.072 2.922 2.914 2.930 . 0 0 "[ . 1 . 2]" 1
1617 2 115 ILE H 2 115 ILE MG 3.340 . 4.721 3.708 3.659 3.779 . 0 0 "[ . 1 . 2]" 1
1618 2 56 GLU HA 2 115 ILE H 3.403 . 4.837 4.521 4.201 4.763 . 0 0 "[ . 1 . 2]" 1
1619 2 114 ARG H 2 115 ILE H 3.464 . 4.951 4.332 4.105 4.458 . 0 0 "[ . 1 . 2]" 1
1620 2 59 ILE H 2 115 ILE H 3.379 . 4.793 4.225 4.014 4.528 . 0 0 "[ . 1 . 2]" 1
1621 2 81 PHE H 2 82 ASP H 2.757 . 3.697 2.671 2.608 2.723 . 0 0 "[ . 1 . 2]" 1
1622 2 81 PHE H 2 81 PHE QD 2.956 . 4.038 4.109 4.069 4.138 0.100 11 0 "[ . 1 . 2]" 1
1623 2 80 PRO HA 2 81 PHE H 3.236 . 4.532 3.569 3.510 3.610 . 0 0 "[ . 1 . 2]" 1
1624 2 81 PHE H 2 81 PHE HB2 2.540 . 3.346 2.439 2.356 2.533 . 0 0 "[ . 1 . 2]" 1
1625 2 81 PHE H 2 81 PHE HB3 2.641 . 3.503 2.574 2.461 2.671 . 0 0 "[ . 1 . 2]" 1
1626 2 80 PRO HB3 2 81 PHE H 2.858 . 3.869 3.860 3.805 3.895 0.026 4 0 "[ . 1 . 2]" 1
1627 2 78 ASP HB2 2 81 PHE H 3.110 . 4.308 4.072 3.577 4.383 0.075 19 0 "[ . 1 . 2]" 1
1628 2 80 PRO HG3 2 81 PHE H 2.878 . 3.903 3.894 3.816 3.962 0.059 4 0 "[ . 1 . 2]" 1
1629 2 80 PRO HB2 2 81 PHE H 2.676 . 3.561 2.567 2.500 2.625 . 0 0 "[ . 1 . 2]" 1
1630 2 71 SER H 2 72 VAL H 3.328 . 4.700 4.248 4.210 4.292 . 0 0 "[ . 1 . 2]" 1
1631 2 59 ILE H 2 113 ARG H 2.993 . 4.102 2.830 2.483 3.178 . 0 0 "[ . 1 . 2]" 1
1632 2 59 ILE H 2 59 ILE HA 2.783 . 3.751 2.879 2.861 2.897 . 0 0 "[ . 1 . 2]" 1
1633 2 58 LEU HA 2 59 ILE H 2.308 . 2.974 2.160 2.010 2.257 . 0 0 "[ . 1 . 2]" 1
1634 2 59 ILE H 2 59 ILE HB 2.794 . 3.762 3.125 2.536 3.615 . 0 0 "[ . 1 . 2]" 1
1635 2 59 ILE H 2 59 ILE HG12 2.778 . 3.733 3.219 2.526 3.753 0.020 6 0 "[ . 1 . 2]" 1
1636 2 59 ILE H 2 59 ILE MG 2.611 . 3.455 2.681 1.756 3.751 0.296 18 0 "[ . 1 . 2]" 1
1637 2 56 GLU H 2 74 ARG H 2.831 . 3.823 3.199 3.057 3.316 . 0 0 "[ . 1 . 2]" 1
1638 2 73 SER HA 2 74 ARG H 2.807 . 3.782 3.452 3.414 3.477 . 0 0 "[ . 1 . 2]" 1
1639 2 72 VAL HA 2 74 ARG H 2.662 . 3.538 3.421 3.303 3.497 . 0 0 "[ . 1 . 2]" 1
1640 2 73 SER QB 2 74 ARG H 3.027 . 4.071 3.361 3.264 3.573 . 0 0 "[ . 1 . 2]" 1
1641 2 56 GLU HB3 2 74 ARG H 2.531 . 3.324 2.711 2.494 2.791 . 0 0 "[ . 1 . 2]" 1
1642 2 56 GLU HB2 2 74 ARG H 2.899 . 3.939 3.914 3.787 3.972 0.033 19 0 "[ . 1 . 2]" 1
1643 2 55 VAL QG 2 74 ARG H 3.111 . 4.308 3.421 3.319 3.589 . 0 0 "[ . 1 . 2]" 1
1644 2 67 ILE HA 2 69 ASN H 2.631 . 3.488 3.543 3.514 3.581 0.093 6 0 "[ . 1 . 2]" 1
1645 2 68 THR HA 2 69 ASN H 2.760 . 3.702 3.488 3.466 3.504 . 0 0 "[ . 1 . 2]" 1
1646 2 60 GLU HB3 2 69 ASN H 2.618 . 3.475 3.043 2.863 3.209 . 0 0 "[ . 1 . 2]" 1
1647 2 60 GLU HB2 2 69 ASN H 2.518 . 3.302 2.466 2.393 2.641 . 0 0 "[ . 1 . 2]" 1
1648 2 65 GLY HA3 2 98 MET H 3.323 . 4.691 3.785 3.645 3.960 . 0 0 "[ . 1 . 2]" 1
1649 2 96 PRO HB2 2 98 MET H 3.392 . 4.817 4.682 3.997 4.933 0.116 19 0 "[ . 1 . 2]" 1
1650 2 31 LEU MD2 2 98 MET H 3.166 . 4.408 3.490 3.257 3.818 . 0 0 "[ . 1 . 2]" 1
1651 2 35 ILE H 2 36 VAL H 2.727 . 3.646 2.691 2.619 2.733 . 0 0 "[ . 1 . 2]" 1
1652 2 34 LEU H 2 36 VAL H 3.432 . 4.891 3.965 3.866 4.041 . 0 0 "[ . 1 . 2]" 1
1653 2 33 ASP HA 2 36 VAL H 2.690 . 3.585 3.411 3.284 3.517 . 0 0 "[ . 1 . 2]" 1
1654 2 108 SER H 2 109 LEU H 2.533 . 3.325 2.429 2.378 2.477 . 0 0 "[ . 1 . 2]" 1
1655 2 109 LEU H 2 111 ARG H 2.900 . 3.941 3.576 3.505 3.645 . 0 0 "[ . 1 . 2]" 1
1656 2 108 SER HA 2 109 LEU H 2.794 . 3.760 3.460 3.440 3.477 . 0 0 "[ . 1 . 2]" 1
1657 2 109 LEU H 2 111 ARG HB3 3.073 . 4.241 4.442 4.266 5.223 0.982 13 3 "[ * . - 1 + . 2]" 1
1658 2 34 LEU HA 2 35 ILE H 3.167 . 4.409 3.520 3.498 3.547 . 0 0 "[ . 1 . 2]" 1
1659 2 35 ILE H 2 35 ILE HB 2.344 . 3.023 2.053 1.977 2.098 . 0 0 "[ . 1 . 2]" 1
1660 2 34 LEU HG 2 35 ILE H 2.929 . 3.987 4.091 4.049 4.142 0.155 1 0 "[ . 1 . 2]" 1
1661 2 35 ILE H 2 35 ILE MD 2.269 . 2.905 1.959 1.836 2.175 . 0 0 "[ . 1 . 2]" 1
1662 2 31 LEU H 2 31 LEU HA 2.805 . 3.780 2.856 2.311 2.936 . 0 0 "[ . 1 . 2]" 1
1663 2 30 SER HA 2 31 LEU H 2.552 . 3.358 2.958 2.774 3.495 0.137 14 0 "[ . 1 . 2]" 1
1664 2 31 LEU H 2 32 ASP HB2 3.771 . 5.533 5.138 4.285 5.863 0.330 5 0 "[ . 1 . 2]" 1
1665 2 31 LEU H 2 31 LEU MD1 2.607 . 3.447 2.718 2.299 3.520 0.073 14 0 "[ . 1 . 2]" 1
1666 2 62 LEU H 2 68 THR H 3.407 . 4.845 3.805 3.603 4.035 . 0 0 "[ . 1 . 2]" 1
1667 2 60 GLU H 2 68 THR H 3.703 . 5.402 4.007 3.847 4.170 . 0 0 "[ . 1 . 2]" 1
1668 2 68 THR H 2 69 ASN H 2.543 . 3.343 2.126 2.074 2.196 . 0 0 "[ . 1 . 2]" 1
1669 2 67 ILE HA 2 68 THR H 2.444 . 3.183 2.083 2.029 2.127 . 0 0 "[ . 1 . 2]" 1
1670 2 68 THR H 2 68 THR HA 2.915 . 3.967 2.914 2.902 2.921 . 0 0 "[ . 1 . 2]" 1
1671 2 94 ARG HA 2 95 ILE H 2.437 . 3.172 2.168 2.061 2.217 . 0 0 "[ . 1 . 2]" 1
1672 2 95 ILE H 2 95 ILE HA 2.677 . 3.564 2.891 2.815 2.913 . 0 0 "[ . 1 . 2]" 1
1673 2 66 THR HA 2 95 ILE H 3.041 . 4.186 3.297 3.008 3.555 . 0 0 "[ . 1 . 2]" 1
1674 2 95 ILE H 2 95 ILE HB 2.857 . 3.867 2.353 2.176 2.467 . 0 0 "[ . 1 . 2]" 1
1675 2 95 ILE H 2 95 ILE MD 2.665 . 3.553 2.579 1.983 3.699 0.146 7 0 "[ . 1 . 2]" 1
1676 2 20 ALA H 2 20 ALA MB 2.090 . 2.630 2.395 2.215 2.808 0.178 10 0 "[ . 1 . 2]" 1
1677 2 17 GLN HA 2 18 ALA H 2.177 . 2.762 2.434 2.130 2.853 0.091 11 0 "[ . 1 . 2]" 1
1678 2 18 ALA H 2 18 ALA MB 2.287 . 2.933 2.492 2.212 2.934 0.001 12 0 "[ . 1 . 2]" 1
1679 2 13 THR H 2 14 GLU H 2.920 . 3.976 3.195 2.110 4.108 0.132 1 0 "[ . 1 . 2]" 1
1680 2 14 GLU H 2 14 GLU HB2 2.436 . 3.170 2.654 2.258 3.606 0.436 9 0 "[ . 1 . 2]" 1
1681 2 14 GLU H 2 15 ARG HB2 3.643 . 5.288 4.583 3.676 5.400 0.112 9 0 "[ . 1 . 2]" 1
1682 2 13 THR MG 2 14 GLU H 2.936 . 4.003 3.597 2.791 4.057 0.054 19 0 "[ . 1 . 2]" 1
1683 2 25 SER H 2 26 GLU H 3.718 . 5.431 3.280 1.924 4.118 0.066 4 0 "[ . 1 . 2]" 1
1684 2 26 GLU H 2 27 VAL H 3.124 . 4.333 3.176 2.540 4.397 0.064 10 0 "[ . 1 . 2]" 1
1685 2 25 SER HA 2 26 GLU H 2.619 . 3.467 2.785 2.177 3.543 0.076 7 0 "[ . 1 . 2]" 1
1686 2 26 GLU H 2 26 GLU HA 2.686 . 3.578 2.847 2.728 2.895 . 0 0 "[ . 1 . 2]" 1
1687 2 26 GLU H 2 26 GLU HG2 2.799 . 3.768 2.211 1.769 4.262 0.494 9 0 "[ . 1 . 2]" 1
1688 2 87 ALA H 2 88 ALA H 2.461 . 3.210 2.447 2.410 2.477 . 0 0 "[ . 1 . 2]" 1
1689 2 86 VAL H 2 87 ALA H 2.343 . 3.021 2.522 2.498 2.542 . 0 0 "[ . 1 . 2]" 1
1690 2 86 VAL HA 2 87 ALA H 2.824 . 3.811 3.473 3.457 3.493 . 0 0 "[ . 1 . 2]" 1
1691 2 85 ALA HA 2 87 ALA H 3.401 . 4.834 4.175 4.123 4.204 . 0 0 "[ . 1 . 2]" 1
1692 2 86 VAL HB 2 87 ALA H 2.390 . 3.085 2.236 2.213 2.262 . 0 0 "[ . 1 . 2]" 1
1693 2 87 ALA H 2 88 ALA MB 3.025 . 4.158 4.180 4.155 4.197 0.039 19 0 "[ . 1 . 2]" 1
1694 2 87 ALA H 2 87 ALA MB 2.058 . 2.580 2.240 2.225 2.254 . 0 0 "[ . 1 . 2]" 1
1695 2 85 ALA MB 2 87 ALA H 3.039 . 4.181 4.384 4.352 4.408 0.227 19 0 "[ . 1 . 2]" 1
1696 2 87 ALA H 2 89 VAL MG1 3.578 . 5.165 5.221 5.181 5.258 0.093 6 0 "[ . 1 . 2]" 1
1697 2 7 GLU H 2 7 GLU HA 2.196 . 2.792 2.756 2.234 2.892 0.100 20 0 "[ . 1 . 2]" 1
1698 2 7 GLU H 2 7 GLU HG3 2.789 . 3.751 3.064 1.960 3.684 . 0 0 "[ . 1 . 2]" 1
1699 2 6 ALA MB 2 7 GLU H 2.750 . 3.685 2.701 1.774 3.694 0.031 17 0 "[ . 1 . 2]" 1
1700 2 84 SER H 2 85 ALA H 2.543 . 3.343 2.565 2.523 2.599 . 0 0 "[ . 1 . 2]" 1
1701 2 84 SER H 2 84 SER HG 2.788 . 3.750 2.261 2.223 2.311 . 0 0 "[ . 1 . 2]" 1
1702 2 84 SER H 2 84 SER HA 2.724 . 3.643 2.783 2.773 2.795 . 0 0 "[ . 1 . 2]" 1
1703 2 80 PRO HA 2 84 SER H 2.595 . 3.427 3.503 3.442 3.558 0.131 18 0 "[ . 1 . 2]" 1
1704 2 37 ASN H 2 39 VAL H 3.257 . 4.570 3.827 3.748 3.899 . 0 0 "[ . 1 . 2]" 1
1705 2 35 ILE H 2 37 ASN H 3.108 . 4.305 3.855 3.794 3.911 . 0 0 "[ . 1 . 2]" 1
1706 2 36 VAL H 2 37 ASN H 2.637 . 3.497 2.512 2.402 2.603 . 0 0 "[ . 1 . 2]" 1
1707 2 37 ASN H 2 37 ASN HD21 3.434 . 4.895 4.444 4.391 4.500 . 0 0 "[ . 1 . 2]" 1
1708 2 37 ASN H 2 37 ASN HA 2.455 . 3.200 2.781 2.762 2.796 . 0 0 "[ . 1 . 2]" 1
1709 2 33 ASP HA 2 37 ASN H 2.860 . 3.872 3.918 3.869 3.946 0.074 3 0 "[ . 1 . 2]" 1
1710 2 34 LEU HA 2 37 ASN H 2.795 . 3.761 3.113 3.019 3.158 . 0 0 "[ . 1 . 2]" 1
1711 2 37 ASN H 2 38 LEU HG 3.186 . 4.443 3.752 3.665 3.801 . 0 0 "[ . 1 . 2]" 1
1712 2 37 ASN H 2 38 LEU HB2 3.352 . 4.744 4.227 4.187 4.249 . 0 0 "[ . 1 . 2]" 1
1713 2 37 ASN H 2 38 LEU HB3 3.712 . 5.421 5.658 5.616 5.693 0.272 3 0 "[ . 1 . 2]" 1
1714 2 36 VAL MG1 2 37 ASN H 2.411 . 3.125 3.038 2.973 3.134 0.009 18 0 "[ . 1 . 2]" 1
1715 2 120 GLU H 2 121 ASP HA 3.786 . 5.562 5.346 5.145 5.534 . 0 0 "[ . 1 . 2]" 1
1716 2 119 PRO HA 2 120 GLU H 2.323 . 2.990 2.236 2.058 2.435 . 0 0 "[ . 1 . 2]" 1
1717 2 119 PRO HB3 2 120 GLU H 2.553 . 3.360 2.680 2.453 3.024 . 0 0 "[ . 1 . 2]" 1
1718 2 119 PRO HB2 2 120 GLU H 2.871 . 3.891 3.012 2.536 3.620 . 0 0 "[ . 1 . 2]" 1
1719 2 39 VAL H 2 92 VAL MG1 2.648 . 3.515 3.319 3.083 3.530 0.015 12 0 "[ . 1 . 2]" 1
1720 2 39 VAL H 2 39 VAL MG1 2.199 . 2.803 2.702 2.483 2.768 . 0 0 "[ . 1 . 2]" 1
1721 2 39 VAL H 2 39 VAL MG2 2.644 . 3.509 3.581 3.557 3.639 0.130 14 0 "[ . 1 . 2]" 1
1722 2 39 VAL H 2 42 GLN H 3.312 . 4.670 4.824 4.782 4.852 0.182 20 0 "[ . 1 . 2]" 1
1723 2 39 VAL H 2 40 SER H 2.706 . 3.613 2.710 2.669 2.755 . 0 0 "[ . 1 . 2]" 1
1724 2 37 ASN HD21 2 38 LEU H 3.552 . 5.129 3.098 2.884 3.498 . 0 0 "[ . 1 . 2]" 1
1725 2 37 ASN H 2 38 LEU H 2.713 . 3.623 2.359 2.303 2.407 . 0 0 "[ . 1 . 2]" 1
1726 2 38 LEU H 2 39 VAL H 2.689 . 3.584 2.780 2.698 2.827 . 0 0 "[ . 1 . 2]" 1
1727 2 37 ASN HA 2 38 LEU H 3.334 . 4.710 3.348 3.338 3.357 . 0 0 "[ . 1 . 2]" 1
1728 2 34 LEU HA 2 38 LEU H 3.213 . 4.491 3.741 3.683 3.799 . 0 0 "[ . 1 . 2]" 1
1729 2 36 VAL HB 2 38 LEU H 3.230 . 4.521 4.768 4.742 4.802 0.281 18 0 "[ . 1 . 2]" 1
1730 2 34 LEU HB2 2 38 LEU H 3.690 . 5.377 5.435 5.401 5.473 0.096 12 0 "[ . 1 . 2]" 1
1731 2 38 LEU H 2 38 LEU HB3 2.605 . 3.444 3.445 3.431 3.460 0.016 18 0 "[ . 1 . 2]" 1
1732 2 122 LEU H 2 124 LEU H 3.385 . 4.804 4.523 4.086 4.897 0.093 12 0 "[ . 1 . 2]" 1
1733 2 51 ASN HD21 2 122 LEU H 2.887 . 3.918 3.514 2.394 3.987 0.069 3 0 "[ . 1 . 2]" 1
1734 2 51 ASN HD22 2 122 LEU H 3.095 . 4.281 2.720 2.319 4.219 . 0 0 "[ . 1 . 2]" 1
1735 2 121 ASP HA 2 122 LEU H 2.866 . 3.882 2.415 2.263 2.654 . 0 0 "[ . 1 . 2]" 1
1736 2 122 LEU H 2 122 LEU HA 2.566 . 3.381 2.887 2.834 2.913 . 0 0 "[ . 1 . 2]" 1
1737 2 121 ASP HB3 2 122 LEU H 3.135 . 4.351 4.360 4.065 4.585 0.234 13 0 "[ . 1 . 2]" 1
1738 2 119 PRO HB3 2 122 LEU H 3.527 . 5.069 4.857 4.135 5.134 0.065 18 0 "[ . 1 . 2]" 1
1739 2 122 LEU H 2 122 LEU MD2 2.665 . 3.544 2.661 2.083 3.139 . 0 0 "[ . 1 . 2]" 1
1740 2 76 SER H 2 77 GLY H 3.444 . 4.912 2.343 2.270 2.432 . 0 0 "[ . 1 . 2]" 1
1741 2 76 SER H 2 76 SER HG 3.146 . 4.371 2.174 1.889 2.843 0.020 19 0 "[ . 1 . 2]" 1
1742 2 75 SER HA 2 76 SER H 2.918 . 3.982 2.234 2.189 2.273 . 0 0 "[ . 1 . 2]" 1
1743 2 76 SER H 2 76 SER QB 3.173 . 4.419 2.684 2.584 2.854 . 0 0 "[ . 1 . 2]" 1
1744 2 76 SER H 2 77 GLY HA2 3.297 . 4.643 4.685 4.657 4.720 0.077 15 0 "[ . 1 . 2]" 1
1745 2 55 VAL QG 2 76 SER H 3.253 . 4.444 2.889 2.727 3.306 . 0 0 "[ . 1 . 2]" 1
1746 2 104 ALA H 2 105 THR HA 3.649 . 5.298 5.251 5.066 5.329 0.031 10 0 "[ . 1 . 2]" 1
1747 2 103 ARG HB3 2 104 ALA H 2.598 . 3.432 2.970 2.435 3.617 0.185 15 0 "[ . 1 . 2]" 1
1748 2 117 PHE H 2 118 LYS H 3.619 . 5.241 4.238 4.166 4.275 . 0 0 "[ . 1 . 2]" 1
1749 2 118 LYS H 2 118 LYS HA 2.971 . 4.064 2.891 2.866 2.929 . 0 0 "[ . 1 . 2]" 1
1750 2 117 PHE HA 2 118 LYS H 2.282 . 2.925 2.158 2.136 2.184 . 0 0 "[ . 1 . 2]" 1
1751 2 118 LYS H 2 119 PRO HA 3.401 . 4.834 4.646 4.484 4.828 . 0 0 "[ . 1 . 2]" 1
1752 2 117 PHE HB2 2 118 LYS H 3.307 . 4.661 4.398 4.341 4.423 . 0 0 "[ . 1 . 2]" 1
1753 2 117 PHE HB3 2 118 LYS H 2.990 . 4.097 3.735 3.641 3.799 . 0 0 "[ . 1 . 2]" 1
1754 2 118 LYS H 2 118 LYS QG 3.257 . 4.570 4.036 3.926 4.168 . 0 0 "[ . 1 . 2]" 1
1755 2 116 ILE MG 2 118 LYS H 2.658 . 3.541 3.342 3.208 3.421 . 0 0 "[ . 1 . 2]" 1
1756 2 79 LYS H 2 82 ASP H 3.302 . 4.652 4.615 4.499 4.687 0.035 17 0 "[ . 1 . 2]" 1
1757 2 78 ASP H 2 82 ASP H 3.562 . 5.135 4.392 3.902 4.810 . 0 0 "[ . 1 . 2]" 1
1758 2 81 PHE QD 2 82 ASP H 2.873 . 3.894 3.588 3.279 3.866 . 0 0 "[ . 1 . 2]" 1
1759 2 79 LYS HA 2 82 ASP H 2.873 . 3.894 3.270 3.017 3.506 . 0 0 "[ . 1 . 2]" 1
1760 2 82 ASP H 2 82 ASP HA 2.546 . 3.347 2.752 2.732 2.774 . 0 0 "[ . 1 . 2]" 1
1761 2 81 PHE HA 2 82 ASP H 2.693 . 3.591 3.537 3.508 3.558 . 0 0 "[ . 1 . 2]" 1
1762 2 82 ASP H 2 82 ASP HB2 2.716 . 3.629 2.779 2.408 3.444 . 0 0 "[ . 1 . 2]" 1
1763 2 78 ASP HB2 2 82 ASP H 3.654 . 5.309 4.747 4.000 5.330 0.021 14 0 "[ . 1 . 2]" 1
1764 2 53 MET ME 2 82 ASP H 3.484 . 4.986 4.746 4.415 4.962 . 0 0 "[ . 1 . 2]" 1
1765 2 72 VAL QG 2 82 ASP H 3.202 . 4.471 4.431 4.343 4.502 0.031 19 0 "[ . 1 . 2]" 1
1766 2 23 VAL H 2 23 VAL HA 2.367 . 3.059 2.902 2.803 2.946 . 0 0 "[ . 1 . 2]" 1
1767 2 22 GLU HA 2 23 VAL H 1.918 . 2.372 2.210 2.081 2.509 0.137 18 0 "[ . 1 . 2]" 1
1768 2 23 VAL H 2 23 VAL HB 2.166 . 2.746 2.723 2.532 2.836 0.090 8 0 "[ . 1 . 2]" 1
1769 2 22 GLU QB 2 23 VAL H 2.893 . 3.929 2.931 2.461 3.748 . 0 0 "[ . 1 . 2]" 1
1770 2 23 VAL H 2 23 VAL MG1 2.065 . 2.591 2.092 1.876 2.554 . 0 0 "[ . 1 . 2]" 1
1771 2 21 ASP HA 2 22 GLU H 2.099 . 2.642 2.625 2.340 3.063 0.421 9 0 "[ . 1 . 2]" 1
1772 2 21 ASP HB3 2 22 GLU H 2.655 . 3.526 3.438 2.425 3.650 0.124 20 0 "[ . 1 . 2]" 1
1773 2 22 GLU H 2 22 GLU QB 2.545 . 2.916 2.511 2.248 2.744 . 0 0 "[ . 1 . 2]" 1
1774 2 60 GLU HA 2 113 ARG H 2.992 . 4.101 3.865 3.727 4.044 . 0 0 "[ . 1 . 2]" 1
1775 2 112 GLN HA 2 113 ARG H 2.251 . 2.877 2.224 2.186 2.275 . 0 0 "[ . 1 . 2]" 1
1776 2 113 ARG H 2 113 ARG HD2 3.469 . 4.960 4.808 4.412 5.936 0.976 16 4 "[* . - *+ 2]" 1
1777 2 59 ILE HG13 2 113 ARG H 3.096 . 4.283 4.267 3.509 4.362 0.079 3 0 "[ . 1 . 2]" 1
1778 2 11 ASP H 2 12 THR H 3.918 . 5.821 3.086 2.407 4.179 . 0 0 "[ . 1 . 2]" 1
1779 2 12 THR H 2 12 THR HA 2.639 . 3.501 2.693 2.240 2.945 . 0 0 "[ . 1 . 2]" 1
1780 2 12 THR H 2 12 THR MG 2.831 . 3.823 3.318 1.941 3.945 0.122 6 0 "[ . 1 . 2]" 1
1781 2 13 THR H 2 13 THR HA 2.555 . 3.361 2.671 2.238 2.937 . 0 0 "[ . 1 . 2]" 1
1782 2 12 THR HB 2 13 THR H 2.474 . 3.231 2.786 1.696 3.376 0.145 13 0 "[ . 1 . 2]" 1
1783 2 13 THR H 2 13 THR MG 2.857 . 3.867 3.677 2.794 3.958 0.091 10 0 "[ . 1 . 2]" 1
1784 2 87 ALA MB 2 90 ARG H 3.309 . 4.665 4.722 4.704 4.737 0.072 1 0 "[ . 1 . 2]" 1
1785 2 89 VAL MG2 2 90 ARG H 2.580 . 3.403 1.899 1.873 1.930 . 0 0 "[ . 1 . 2]" 1
1786 2 88 ALA H 2 90 ARG H 3.180 . 4.433 4.143 4.095 4.173 . 0 0 "[ . 1 . 2]" 1
1787 2 89 VAL H 2 90 ARG H 2.632 . 3.488 2.665 2.623 2.708 . 0 0 "[ . 1 . 2]" 1
1788 2 90 ARG H 2 91 ASN H 2.554 . 3.360 2.823 2.777 2.858 . 0 0 "[ . 1 . 2]" 1
1789 2 91 ASN H 2 92 VAL H 2.504 . 3.278 2.619 2.538 2.656 . 0 0 "[ . 1 . 2]" 1
1790 2 89 VAL H 2 91 ASN H 3.148 . 4.376 3.985 3.932 4.023 . 0 0 "[ . 1 . 2]" 1
1791 2 88 ALA HA 2 91 ASN H 2.812 . 3.790 3.806 3.696 3.856 0.066 17 0 "[ . 1 . 2]" 1
1792 2 87 ALA HA 2 91 ASN H 2.999 . 4.112 3.528 3.425 3.688 . 0 0 "[ . 1 . 2]" 1
1793 2 91 ASN H 2 92 VAL HA 3.577 . 5.162 5.190 5.132 5.225 0.063 12 0 "[ . 1 . 2]" 1
1794 2 89 VAL HA 2 91 ASN H 3.608 . 5.220 4.225 4.121 4.283 . 0 0 "[ . 1 . 2]" 1
1795 2 91 ASN H 2 91 ASN HA 2.388 . 3.092 2.809 2.792 2.840 . 0 0 "[ . 1 . 2]" 1
1796 2 91 ASN H 2 91 ASN HB3 2.341 . 3.018 2.779 2.609 3.021 0.003 5 0 "[ . 1 . 2]" 1
1797 2 91 ASN H 2 91 ASN HB2 2.365 . 3.056 2.242 2.093 2.349 . 0 0 "[ . 1 . 2]" 1
1798 2 90 ARG HG2 2 91 ASN H 3.303 . 4.654 4.302 4.218 4.453 . 0 0 "[ . 1 . 2]" 1
1799 2 87 ALA MB 2 91 ASN H 4.547 . 7.112 4.375 4.297 4.493 . 0 0 "[ . 1 . 2]" 1
1800 2 25 SER H 2 25 SER HA 2.717 . 3.630 2.777 2.251 2.937 . 0 0 "[ . 1 . 2]" 1
1801 2 40 SER H 2 41 GLN H 2.632 . 3.488 2.398 2.347 2.438 . 0 0 "[ . 1 . 2]" 1
1802 2 40 SER H 2 40 SER HA 2.520 . 3.305 2.889 2.875 2.915 . 0 0 "[ . 1 . 2]" 1
1803 2 40 SER H 2 40 SER HB2 2.511 . 3.291 3.404 2.174 3.610 0.319 12 0 "[ . 1 . 2]" 1
1804 2 39 VAL HA 2 40 SER H 3.334 . 4.711 3.512 3.488 3.547 . 0 0 "[ . 1 . 2]" 1
1805 2 39 VAL HB 2 40 SER H 2.684 . 3.575 3.677 3.657 3.724 0.149 6 0 "[ . 1 . 2]" 1
1806 2 39 VAL MG1 2 40 SER H 2.508 . 3.286 2.193 2.099 2.279 . 0 0 "[ . 1 . 2]" 1
1807 2 70 ALA HA 2 71 SER H 2.209 . 2.811 2.156 2.123 2.181 . 0 0 "[ . 1 . 2]" 1
1808 2 58 LEU HB2 2 71 SER H 3.254 . 4.565 4.738 4.609 4.945 0.380 1 0 "[ . 1 . 2]" 1
1809 2 57 VAL MG1 2 71 SER H 2.391 . 3.098 3.134 3.041 3.173 0.075 7 0 "[ . 1 . 2]" 1
1810 2 29 GLY HA2 2 30 SER H 2.940 . 4.010 2.946 2.539 3.236 . 0 0 "[ . 1 . 2]" 1
1811 2 14 GLU HB3 2 15 ARG H 2.874 . 3.896 3.869 1.874 4.413 0.517 14 1 "[ . 1 +. 2]" 1
1812 2 17 GLN H 2 17 GLN HA 2.088 . 2.626 2.535 2.245 2.860 0.234 19 0 "[ . 1 . 2]" 1
1813 2 19 LEU H 2 19 LEU QB 1.925 . 2.382 2.259 2.192 2.370 . 0 0 "[ . 1 . 2]" 1
1814 2 18 ALA MB 2 19 LEU H 2.389 . 3.094 2.644 1.752 3.142 0.048 7 0 "[ . 1 . 2]" 1
1815 2 20 ALA HA 2 21 ASP H 2.037 . 2.548 2.296 2.097 2.652 0.104 17 0 "[ . 1 . 2]" 1
1816 2 21 ASP H 2 21 ASP HA 2.308 . 2.966 2.759 2.252 2.937 . 0 0 "[ . 1 . 2]" 1
1817 2 21 ASP H 2 21 ASP HB3 2.218 . 2.825 2.832 2.564 3.606 0.781 2 1 "[ + . 1 . 2]" 1
1818 2 20 ALA MB 2 21 ASP H 2.347 . 3.028 2.624 1.922 3.083 0.055 5 0 "[ . 1 . 2]" 1
1819 2 32 ASP H 2 110 TYR QE 3.306 . 4.660 3.240 2.405 3.740 . 0 0 "[ . 1 . 2]" 1
1820 2 31 LEU HA 2 32 ASP H 3.054 . 4.209 3.539 3.447 3.616 . 0 0 "[ . 1 . 2]" 1
1821 2 32 ASP H 2 32 ASP HA 2.522 . 3.317 2.769 2.733 2.805 . 0 0 "[ . 1 . 2]" 1
1822 2 31 LEU HA 2 34 LEU H 2.803 . 3.775 3.270 3.044 3.620 . 0 0 "[ . 1 . 2]" 1
1823 2 33 ASP HA 2 34 LEU H 2.698 . 3.598 3.492 3.474 3.537 . 0 0 "[ . 1 . 2]" 1
1824 2 34 LEU H 2 34 LEU HA 2.472 . 3.228 2.739 2.721 2.757 . 0 0 "[ . 1 . 2]" 1
1825 2 34 LEU H 2 36 VAL HB 3.254 . 4.565 4.235 4.135 4.341 . 0 0 "[ . 1 . 2]" 1
1826 2 34 LEU H 2 34 LEU HB2 2.386 . 3.088 2.153 2.071 2.220 . 0 0 "[ . 1 . 2]" 1
1827 2 34 LEU H 2 34 LEU HG 2.799 . 3.768 2.228 2.076 2.394 . 0 0 "[ . 1 . 2]" 1
1828 2 34 LEU H 2 34 LEU MD1 2.648 . 3.516 3.665 3.592 3.713 0.197 1 0 "[ . 1 . 2]" 1
1829 2 34 LEU H 2 35 ILE MD 2.718 . 3.642 3.792 3.745 3.828 0.186 12 0 "[ . 1 . 2]" 1
1830 2 33 ASP H 2 34 LEU H 2.471 . 3.225 2.546 2.344 2.655 . 0 0 "[ . 1 . 2]" 1
1831 2 32 ASP HB2 2 33 ASP H 2.531 . 3.323 3.074 2.198 3.723 0.400 5 0 "[ . 1 . 2]" 1
1832 2 33 ASP H 2 33 ASP HB3 2.205 . 2.805 2.763 2.624 3.174 0.369 14 0 "[ . 1 . 2]" 1
1833 2 33 ASP H 2 36 VAL HB 3.046 . 4.195 4.377 4.331 4.433 0.238 18 0 "[ . 1 . 2]" 1
1834 2 33 ASP H 2 34 LEU HB2 3.099 . 4.289 4.356 4.295 4.401 0.112 3 0 "[ . 1 . 2]" 1
1835 2 33 ASP H 2 36 VAL MG2 3.264 . 4.583 4.290 4.211 4.479 . 0 0 "[ . 1 . 2]" 1
1836 2 42 GLN HB3 2 43 TRP H 2.696 . 3.604 3.772 3.735 3.848 0.244 5 0 "[ . 1 . 2]" 1
1837 2 42 GLN HB2 2 43 TRP H 2.761 . 3.714 3.221 3.031 3.331 . 0 0 "[ . 1 . 2]" 1
1838 2 43 TRP H 2 43 TRP HB3 2.487 . 3.252 2.666 2.613 2.730 . 0 0 "[ . 1 . 2]" 1
1839 2 39 VAL HA 2 43 TRP H 3.634 . 5.271 4.524 4.331 4.658 . 0 0 "[ . 1 . 2]" 1
1840 2 42 GLN HA 2 43 TRP H 2.757 . 3.697 3.428 3.333 3.477 . 0 0 "[ . 1 . 2]" 1
1841 2 40 SER HA 2 43 TRP H 2.918 . 3.972 2.446 2.203 2.520 . 0 0 "[ . 1 . 2]" 1
1842 2 43 TRP H 2 43 TRP HA 2.923 . 3.981 2.880 2.863 2.895 . 0 0 "[ . 1 . 2]" 1
1843 2 43 TRP H 2 43 TRP HD1 3.277 . 4.607 4.755 4.728 4.774 0.167 3 0 "[ . 1 . 2]" 1
1844 2 42 GLN H 2 43 TRP H 2.260 . 2.899 2.432 2.030 2.553 . 0 0 "[ . 1 . 2]" 1
1845 2 48 SER H 2 49 ALA H 2.568 . 3.384 2.363 2.234 2.460 . 0 0 "[ . 1 . 2]" 1
1846 2 46 PRO HA 2 48 SER H 3.609 . 5.224 3.746 3.609 3.930 . 0 0 "[ . 1 . 2]" 1
1847 2 47 PRO HA 2 48 SER H 2.997 . 4.109 3.366 3.291 3.452 . 0 0 "[ . 1 . 2]" 1
1848 2 46 PRO HD2 2 48 SER H 3.220 . 4.503 4.482 4.174 4.582 0.079 6 0 "[ . 1 . 2]" 1
1849 2 46 PRO HG2 2 48 SER H 2.923 . 3.991 2.996 2.836 3.171 . 0 0 "[ . 1 . 2]" 1
1850 2 48 SER H 2 49 ALA MB 3.233 . 4.527 4.062 3.948 4.175 . 0 0 "[ . 1 . 2]" 1
1851 2 51 ASN HD22 2 122 LEU HB3 3.360 . 4.758 4.482 3.056 4.790 0.032 6 0 "[ . 1 . 2]" 1
1852 2 55 VAL H 2 117 PHE QD 3.032 . 4.169 3.836 3.677 4.176 0.007 6 0 "[ . 1 . 2]" 1
1853 2 55 VAL H 2 55 VAL QG 2.491 . 3.258 2.359 2.190 2.470 . 0 0 "[ . 1 . 2]" 1
1854 2 60 GLU H 2 60 GLU HA 2.657 . 3.530 2.932 2.920 2.943 . 0 0 "[ . 1 . 2]" 1
1855 2 59 ILE HA 2 60 GLU H 2.276 . 2.916 2.308 2.183 2.424 . 0 0 "[ . 1 . 2]" 1
1856 2 60 GLU H 2 60 GLU HB2 2.435 . 3.168 2.531 2.431 2.619 . 0 0 "[ . 1 . 2]" 1
1857 2 59 ILE HG13 2 60 GLU H 2.874 . 3.896 4.161 3.935 4.772 0.876 1 1 "[+ . 1 . 2]" 1
1858 2 59 ILE MD 2 60 GLU H 2.790 . 3.754 3.818 3.705 4.059 0.305 1 0 "[ . 1 . 2]" 1
1859 2 60 GLU H 2 67 ILE HA 3.166 . 4.406 4.290 4.149 4.426 0.020 16 0 "[ . 1 . 2]" 1
1860 2 60 GLU H 2 69 ASN H 2.870 . 3.888 2.823 2.677 3.048 . 0 0 "[ . 1 . 2]" 1
1861 2 64 ASP H 2 68 THR MG 3.477 . 4.974 5.166 4.871 5.250 0.276 18 0 "[ . 1 . 2]" 1
1862 2 62 LEU QD 2 64 ASP H 2.941 . 3.760 2.813 1.593 3.447 0.267 19 0 "[ . 1 . 2]" 1
1863 2 62 LEU QB 2 64 ASP H 2.487 . 3.200 2.381 1.851 3.427 0.227 20 0 "[ . 1 . 2]" 1
1864 2 64 ASP H 2 64 ASP HB3 2.363 . 3.053 2.493 2.283 2.822 . 0 0 "[ . 1 . 2]" 1
1865 2 64 ASP H 2 64 ASP HB2 2.511 . 3.291 2.899 2.533 3.119 . 0 0 "[ . 1 . 2]" 1
1866 2 63 PRO HD2 2 64 ASP H 2.715 . 3.627 3.118 2.817 3.261 . 0 0 "[ . 1 . 2]" 1
1867 2 64 ASP H 2 65 GLY HA2 3.033 . 4.172 4.298 4.260 4.340 0.168 19 0 "[ . 1 . 2]" 1
1868 2 64 ASP H 2 65 GLY HA3 3.409 . 4.847 4.781 4.728 4.847 . 0 0 "[ . 1 . 2]" 1
1869 2 64 ASP H 2 64 ASP HA 2.468 . 3.221 2.959 2.927 3.003 . 0 0 "[ . 1 . 2]" 1
1870 2 64 ASP H 2 66 THR HB 3.586 . 5.180 4.605 3.998 5.057 . 0 0 "[ . 1 . 2]" 1
1871 2 62 LEU HA 2 64 ASP H 3.404 . 4.840 3.811 3.645 4.062 . 0 0 "[ . 1 . 2]" 1
1872 2 62 LEU H 2 64 ASP H 3.291 . 4.632 3.955 3.793 4.093 . 0 0 "[ . 1 . 2]" 1
1873 2 64 ASP H 2 66 THR H 2.863 . 3.877 3.326 3.067 3.656 . 0 0 "[ . 1 . 2]" 1
1874 2 70 ALA H 2 70 ALA HA 2.640 . 3.503 2.841 2.817 2.853 . 0 0 "[ . 1 . 2]" 1
1875 2 69 ASN HD21 2 70 ALA H 3.206 . 4.478 3.947 3.606 4.554 0.076 14 0 "[ . 1 . 2]" 1
1876 2 70 ALA H 2 71 SER H 3.042 . 4.186 4.023 3.912 4.136 . 0 0 "[ . 1 . 2]" 1
1877 2 69 ASN HD22 2 70 ALA H 3.561 . 5.133 3.928 3.603 4.655 . 0 0 "[ . 1 . 2]" 1
1878 2 70 ALA H 2 90 ARG HD3 3.352 . 4.743 4.058 3.881 4.221 . 0 0 "[ . 1 . 2]" 1
1879 2 60 GLU HB3 2 70 ALA H 4.211 . 6.409 5.796 5.519 5.900 . 0 0 "[ . 1 . 2]" 1
1880 2 60 GLU HB2 2 70 ALA H 3.030 . 4.167 4.155 3.931 4.236 0.069 1 0 "[ . 1 . 2]" 1
1881 2 77 GLY HA2 2 78 ASP H 2.811 . 3.789 3.296 2.966 3.423 . 0 0 "[ . 1 . 2]" 1
1882 2 77 GLY HA3 2 78 ASP H 3.088 . 4.269 3.191 3.061 3.486 . 0 0 "[ . 1 . 2]" 1
1883 2 76 SER HG 2 78 ASP H 2.743 . 3.673 2.929 2.572 3.606 . 0 0 "[ . 1 . 2]" 1
1884 2 78 ASP H 2 81 PHE HB3 3.149 . 4.376 3.879 3.664 4.175 . 0 0 "[ . 1 . 2]" 1
1885 2 78 ASP H 2 79 LYS QG 3.694 . 5.385 4.777 3.769 5.244 . 0 0 "[ . 1 . 2]" 1
1886 2 78 ASP H 2 81 PHE QD 3.149 . 4.376 4.426 4.252 4.509 0.133 18 0 "[ . 1 . 2]" 1
1887 2 78 ASP H 2 79 LYS H 3.607 . 5.220 3.923 3.463 4.072 . 0 0 "[ . 1 . 2]" 1
1888 2 88 ALA H 2 89 VAL H 2.304 . 2.967 2.422 2.410 2.432 . 0 0 "[ . 1 . 2]" 1
1889 2 88 ALA H 2 91 ASN H 3.733 . 5.459 4.608 4.532 4.662 . 0 0 "[ . 1 . 2]" 1
1890 2 88 ALA H 2 117 PHE QE 3.857 . 5.699 4.810 4.718 4.890 . 0 0 "[ . 1 . 2]" 1
1891 2 88 ALA H 2 88 ALA HA 2.401 . 3.114 2.888 2.873 2.902 . 0 0 "[ . 1 . 2]" 1
1892 2 86 VAL HA 2 88 ALA H 3.573 . 5.154 3.821 3.792 3.861 . 0 0 "[ . 1 . 2]" 1
1893 2 42 GLN HB3 2 88 ALA H 3.675 . 5.348 4.831 4.729 5.151 . 0 0 "[ . 1 . 2]" 1
1894 2 86 VAL HB 2 88 ALA H 3.298 . 4.645 4.370 4.340 4.399 . 0 0 "[ . 1 . 2]" 1
1895 2 87 ALA MB 2 88 ALA H 2.275 . 2.914 2.960 2.939 2.980 0.066 19 0 "[ . 1 . 2]" 1
1896 2 88 ALA H 2 89 VAL MG1 2.866 . 3.883 4.018 4.002 4.031 0.148 9 0 "[ . 1 . 2]" 1
1897 2 39 VAL MG2 2 88 ALA H 2.925 . 3.984 4.106 4.084 4.142 0.158 6 0 "[ . 1 . 2]" 1
1898 2 85 ALA MB 2 88 ALA H 3.258 . 4.572 3.979 3.932 4.022 . 0 0 "[ . 1 . 2]" 1
1899 2 89 VAL H 2 117 PHE QE 3.064 . 4.225 4.411 4.355 4.456 0.231 6 0 "[ . 1 . 2]" 1
1900 2 88 ALA HA 2 89 VAL H 2.955 . 4.036 3.561 3.547 3.577 . 0 0 "[ . 1 . 2]" 1
1901 2 86 VAL HA 2 89 VAL H 3.139 . 4.358 3.102 3.058 3.145 . 0 0 "[ . 1 . 2]" 1
1902 2 85 ALA HA 2 89 VAL H 3.682 . 5.363 4.081 4.019 4.145 . 0 0 "[ . 1 . 2]" 1
1903 2 88 ALA MB 2 89 VAL H 2.455 . 3.200 2.494 2.458 2.568 . 0 0 "[ . 1 . 2]" 1
1904 2 87 ALA MB 2 89 VAL H 3.231 . 4.523 4.632 4.611 4.652 0.129 5 0 "[ . 1 . 2]" 1
1905 2 89 VAL H 2 89 VAL MG1 2.259 . 2.889 2.231 2.210 2.249 . 0 0 "[ . 1 . 2]" 1
1906 2 89 VAL H 2 89 VAL MG2 2.369 . 3.062 1.866 1.805 1.896 . 0 0 "[ . 1 . 2]" 1
1907 2 39 VAL MG2 2 89 VAL H 2.695 . 3.593 2.969 2.908 3.019 . 0 0 "[ . 1 . 2]" 1
1908 2 85 ALA MB 2 89 VAL H 3.758 . 5.508 4.436 4.363 4.495 . 0 0 "[ . 1 . 2]" 1
1909 2 93 GLY H 2 93 GLY HA3 2.351 . 3.034 2.777 2.732 2.848 . 0 0 "[ . 1 . 2]" 1
1910 2 90 ARG HA 2 93 GLY H 3.321 . 4.687 3.676 3.380 3.857 . 0 0 "[ . 1 . 2]" 1
1911 2 67 ILE HB 2 93 GLY H 3.209 . 4.484 3.290 3.105 3.496 . 0 0 "[ . 1 . 2]" 1
1912 2 92 VAL MG2 2 93 GLY H 2.520 . 3.306 1.902 1.829 1.959 . 0 0 "[ . 1 . 2]" 1
1913 2 67 ILE H 2 94 ARG H 3.042 . 4.187 3.904 3.738 4.175 . 0 0 "[ . 1 . 2]" 1
1914 2 93 GLY H 2 94 ARG H 2.772 . 3.724 3.268 3.131 3.887 0.163 18 0 "[ . 1 . 2]" 1
1915 2 94 ARG H 2 94 ARG HA 2.722 . 3.638 2.874 2.846 2.931 . 0 0 "[ . 1 . 2]" 1
1916 2 92 VAL HB 2 94 ARG H 3.497 . 5.012 3.793 3.552 4.778 . 0 0 "[ . 1 . 2]" 1
1917 2 92 VAL MG2 2 94 ARG H 2.361 . 3.050 2.547 2.225 3.213 0.163 18 0 "[ . 1 . 2]" 1
1918 2 99 GLN H 2 101 LEU H 3.265 . 4.585 4.524 4.232 4.664 0.079 9 0 "[ . 1 . 2]" 1
1919 2 99 GLN H 2 100 GLN H 2.612 . 3.456 2.703 2.587 2.819 . 0 0 "[ . 1 . 2]" 1
1920 2 99 GLN H 2 99 GLN HE21 3.304 . 4.655 3.893 3.510 4.423 . 0 0 "[ . 1 . 2]" 1
1921 2 98 MET HA 2 99 GLN H 2.924 . 3.982 3.437 3.381 3.474 . 0 0 "[ . 1 . 2]" 1
1922 2 98 MET HB2 2 99 GLN H 2.709 . 3.618 2.963 2.851 3.093 . 0 0 "[ . 1 . 2]" 1
1923 2 100 GLN H 2 101 LEU HA 3.241 . 4.542 4.650 4.554 4.715 0.173 15 0 "[ . 1 . 2]" 1
1924 2 100 GLN H 2 100 GLN HA 2.318 . 2.982 2.920 2.863 2.942 . 0 0 "[ . 1 . 2]" 1
1925 2 100 GLN H 2 100 GLN HG3 2.435 . 3.168 2.902 1.971 3.301 0.133 3 0 "[ . 1 . 2]" 1
1926 2 100 GLN H 2 100 GLN HG2 2.226 . 2.838 2.230 2.020 2.841 0.003 1 0 "[ . 1 . 2]" 1
1927 2 100 GLN H 2 101 LEU QD 3.478 . 4.918 4.304 4.138 4.432 . 0 0 "[ . 1 . 2]" 1
1928 2 100 GLN H 2 101 LEU HB3 3.899 . 5.782 5.253 4.315 5.517 . 0 0 "[ . 1 . 2]" 1
1929 2 106 PHE H 2 106 PHE QD 2.799 . 3.768 3.874 3.829 3.913 0.145 8 0 "[ . 1 . 2]" 1
1930 2 106 PHE H 2 106 PHE HB3 2.480 . 3.239 2.107 2.068 2.137 . 0 0 "[ . 1 . 2]" 1
1931 2 108 SER H 2 111 ARG H 3.350 . 4.740 4.508 4.408 4.564 . 0 0 "[ . 1 . 2]" 1
1932 2 108 SER H 2 108 SER HA 2.276 . 2.917 2.837 2.818 2.849 . 0 0 "[ . 1 . 2]" 1
1933 2 105 THR HA 2 108 SER H 2.648 . 3.515 3.262 3.138 3.376 . 0 0 "[ . 1 . 2]" 1
1934 2 108 SER H 2 108 SER HB2 2.152 . 2.725 2.083 2.034 2.124 . 0 0 "[ . 1 . 2]" 1
1935 2 107 ASP HB3 2 108 SER H 2.655 . 3.526 2.685 2.539 2.921 . 0 0 "[ . 1 . 2]" 1
1936 2 107 ASP HB2 2 108 SER H 2.699 . 3.600 3.748 3.673 3.784 0.184 19 0 "[ . 1 . 2]" 1
1937 2 108 SER H 2 109 LEU HG 2.789 . 3.753 3.631 3.502 3.771 0.018 13 0 "[ . 1 . 2]" 1
1938 2 108 SER H 2 109 LEU HB2 3.305 . 4.658 4.745 4.704 4.777 0.119 3 0 "[ . 1 . 2]" 1
1939 2 108 SER H 2 109 LEU QD 3.606 . 4.893 4.124 4.033 4.244 . 0 0 "[ . 1 . 2]" 1
1940 2 108 SER H 2 109 LEU HB3 4.098 . 6.179 5.937 5.898 5.983 . 0 0 "[ . 1 . 2]" 1
1941 2 111 ARG H 2 112 GLN H 2.454 . 3.199 2.924 2.729 3.116 . 0 0 "[ . 1 . 2]" 1
1942 2 60 GLU HA 2 112 GLN H 3.421 . 4.871 4.656 4.567 4.812 . 0 0 "[ . 1 . 2]" 1
1943 2 112 GLN H 2 112 GLN HA 2.481 . 3.242 2.907 2.897 2.917 . 0 0 "[ . 1 . 2]" 1
1944 2 111 ARG HA 2 112 GLN H 2.885 . 3.915 3.520 3.456 3.584 . 0 0 "[ . 1 . 2]" 1
1945 2 112 GLN H 2 112 GLN HB2 2.503 . 3.277 2.390 2.287 2.444 . 0 0 "[ . 1 . 2]" 1
1946 2 112 GLN H 2 112 GLN HB3 2.522 . 3.307 3.478 3.400 3.534 0.227 17 0 "[ . 1 . 2]" 1
1947 2 111 ARG HB3 2 112 GLN H 2.286 . 2.931 2.576 1.702 3.095 0.164 15 0 "[ . 1 . 2]" 1
1948 2 58 LEU MD1 2 112 GLN H 3.679 . 5.356 4.498 4.395 4.635 . 0 0 "[ . 1 . 2]" 1
1949 2 122 LEU H 2 123 SER H 3.508 . 5.033 4.098 2.720 4.560 . 0 0 "[ . 1 . 2]" 1
1950 2 123 SER H 2 124 LEU H 2.788 . 3.749 2.301 1.760 2.698 0.056 12 0 "[ . 1 . 2]" 1
1951 2 122 LEU HA 2 123 SER H 2.543 . 3.343 2.862 2.452 3.468 0.125 2 0 "[ . 1 . 2]" 1
1952 2 123 SER H 2 123 SER HA 2.790 . 3.753 2.808 2.754 2.853 . 0 0 "[ . 1 . 2]" 1
1953 2 122 LEU HB3 2 123 SER H 2.622 . 3.473 1.920 1.774 2.332 0.123 8 0 "[ . 1 . 2]" 1
1954 2 116 ILE H 2 116 ILE HG12 2.769 . 3.727 3.576 3.407 4.315 0.588 18 1 "[ . 1 . + 2]" 1
1955 2 115 ILE MG 2 116 ILE H 2.880 . 3.907 2.940 2.859 3.093 . 0 0 "[ . 1 . 2]" 1
1956 2 121 ASP H 2 122 LEU H 2.901 . 3.943 3.194 2.823 3.486 . 0 0 "[ . 1 . 2]" 1
1957 2 34 LEU H 2 37 ASN H 3.745 . 5.482 4.227 4.154 4.251 . 0 0 "[ . 1 . 2]" 1
1958 2 37 ASN H 2 37 ASN HD22 4.267 . 6.524 5.630 5.602 5.666 . 0 0 "[ . 1 . 2]" 1
1959 2 121 ASP H 2 121 ASP HA 2.929 . 3.991 2.262 2.232 2.276 . 0 0 "[ . 1 . 2]" 1
1960 2 105 THR H 2 107 ASP H 3.079 . 4.253 3.717 3.607 3.897 . 0 0 "[ . 1 . 2]" 1
1961 2 106 PHE H 2 107 ASP H 2.927 . 3.988 2.705 2.610 2.758 . 0 0 "[ . 1 . 2]" 1
1962 2 61 MET H 2 67 ILE HA 3.562 . 5.135 4.693 4.567 4.846 . 0 0 "[ . 1 . 2]" 1
1963 2 61 MET H 2 62 LEU H 3.360 . 4.758 4.284 4.255 4.343 . 0 0 "[ . 1 . 2]" 1
1964 2 60 GLU H 2 61 MET H 3.226 . 4.527 4.308 4.207 4.388 . 0 0 "[ . 1 . 2]" 1
1965 2 107 ASP H 2 107 ASP HB3 2.491 . 3.267 2.659 2.533 2.898 . 0 0 "[ . 1 . 2]" 1
1966 2 107 ASP H 2 107 ASP HB2 2.452 . 3.203 2.298 2.094 2.413 . 0 0 "[ . 1 . 2]" 1
1967 2 107 ASP H 2 107 ASP HA 2.416 . 3.137 2.802 2.779 2.826 . 0 0 "[ . 1 . 2]" 1
1968 2 84 SER H 2 85 ALA MB 2.948 . 4.022 4.093 4.063 4.122 0.100 14 0 "[ . 1 . 2]" 1
1969 2 120 GLU H 2 122 LEU H 3.420 . 4.868 4.784 4.323 4.926 0.058 12 0 "[ . 1 . 2]" 1
1970 2 26 GLU HB3 2 27 VAL H 2.830 . 3.821 3.300 1.767 3.924 0.103 20 0 "[ . 1 . 2]" 1
1971 2 34 LEU H 2 34 LEU MD2 2.652 . 3.521 2.757 2.643 2.967 . 0 0 "[ . 1 . 2]" 1
1972 2 4 ALA H 2 4 ALA HA 2.442 . 3.179 2.741 2.262 2.947 . 0 0 "[ . 1 . 2]" 1
1973 2 4 ALA H 2 4 ALA MB 2.718 . 3.631 2.516 2.225 2.945 . 0 0 "[ . 1 . 2]" 1
1974 2 5 LEU H 2 5 LEU HB2 2.273 . 2.911 2.682 2.195 3.595 0.684 6 2 "[ - .+ 1 . 2]" 1
1975 2 5 LEU H 2 5 LEU HB3 2.643 . 3.508 2.991 2.453 3.608 0.100 3 0 "[ . 1 . 2]" 1
1976 2 6 ALA H 2 6 ALA MB 2.226 . 2.838 2.590 2.234 2.901 0.063 10 0 "[ . 1 . 2]" 1
1977 2 8 LEU H 2 8 LEU HA 2.752 . 3.689 2.762 2.242 2.949 . 0 0 "[ . 1 . 2]" 1
1978 2 7 GLU HA 2 8 LEU H 2.186 . 2.777 2.225 2.071 2.851 0.074 1 0 "[ . 1 . 2]" 1
1979 2 7 GLU HB3 2 8 LEU H 2.708 . 3.615 3.711 1.687 4.314 0.699 6 9 "[ * .+ *** ** .* -2]" 1
1980 2 6 ALA MB 2 8 LEU H 3.434 . 4.895 4.800 4.378 5.057 0.162 1 0 "[ . 1 . 2]" 1
1981 2 10 SER H 2 10 SER HA 2.441 . 3.178 2.858 2.261 2.944 . 0 0 "[ . 1 . 2]" 1
1982 2 31 LEU HA 2 35 ILE H 3.248 . 4.554 4.038 3.763 4.192 . 0 0 "[ . 1 . 2]" 1
1983 2 38 LEU H 2 38 LEU HG 2.339 . 3.023 1.897 1.867 1.926 . 0 0 "[ . 1 . 2]" 1
1984 2 52 GLY H 2 122 LEU MD2 3.587 . 5.180 3.613 2.745 4.568 . 0 0 "[ . 1 . 2]" 1
1985 2 69 ASN HB2 2 71 SER H 5.101 . 8.330 6.699 6.467 6.871 . 0 0 "[ . 1 . 2]" 1
1986 2 60 GLU HA 2 61 MET H 2.237 . 2.855 2.165 2.068 2.254 . 0 0 "[ . 1 . 2]" 1
1987 2 62 LEU H 2 67 ILE HA 2.884 . 3.913 3.786 3.562 4.012 0.099 3 0 "[ . 1 . 2]" 1
1988 2 62 LEU H 2 62 LEU HA 2.713 . 3.623 2.911 2.884 2.929 . 0 0 "[ . 1 . 2]" 1
1989 2 62 LEU H 2 68 THR MG 2.589 . 3.417 2.496 2.316 2.659 . 0 0 "[ . 1 . 2]" 1
1990 2 62 LEU H 2 62 LEU QD 2.798 . 3.768 3.084 1.807 3.561 0.012 19 0 "[ . 1 . 2]" 1
1991 2 106 PHE HB3 2 107 ASP H 2.568 . 3.383 2.513 2.394 2.589 . 0 0 "[ . 1 . 2]" 1
1992 2 106 PHE HA 2 107 ASP H 2.965 . 4.064 3.551 3.537 3.579 . 0 0 "[ . 1 . 2]" 1
1993 2 93 GLY HA2 2 94 ARG H 2.403 . 3.117 3.361 3.324 3.432 0.315 19 0 "[ . 1 . 2]" 1
1994 2 93 GLY HA3 2 94 ARG H 2.320 . 2.985 2.960 2.237 3.097 0.112 20 0 "[ . 1 . 2]" 1
1995 2 43 TRP HH2 2 43 TRP HZ3 2.413 . 3.141 2.445 2.439 2.450 . 0 0 "[ . 1 . 2]" 1
1996 1 6 ILE H 2 116 ILE H 3.452 . 4.942 3.593 3.392 3.848 . 0 0 "[ . 1 . 2]" 1
1997 1 4 LEU H 2 116 ILE H 3.461 . 4.136 3.069 2.828 3.340 . 0 0 "[ . 1 . 2]" 1
1998 1 3 PRO HA 2 114 ARG H 3.294 . 4.650 4.199 3.656 4.564 . 0 0 "[ . 1 . 2]" 1
1999 1 1 ALA MB 2 28 THR H 3.917 . 5.835 4.693 4.069 5.451 . 0 0 "[ . 1 . 2]" 1
2000 1 6 ILE MD 2 36 VAL H 4.056 . 6.113 4.772 4.716 4.894 . 0 0 "[ . 1 . 2]" 1
2001 1 7 SER HA 2 120 GLU H 2.945 . 4.029 4.105 3.911 4.214 0.185 11 0 "[ . 1 . 2]" 1
2002 1 7 SER QB 2 120 GLU H 3.111 . 4.321 3.098 2.428 3.533 . 0 0 "[ . 1 . 2]" 1
2003 1 6 ILE MD 2 39 VAL H 2.995 . 4.116 4.176 3.936 4.234 0.118 14 0 "[ . 1 . 2]" 1
2004 1 6 ILE H 2 118 LYS H 3.038 . 4.192 3.169 2.870 3.488 . 0 0 "[ . 1 . 2]" 1
2005 1 7 SER HA 2 118 LYS H 2.953 . 4.043 3.275 2.862 3.558 . 0 0 "[ . 1 . 2]" 1
2006 1 6 ILE MD 2 40 SER H 2.997 . 4.119 2.979 2.575 3.114 . 0 0 "[ . 1 . 2]" 1
2007 1 9 GLY HA3 2 43 TRP H 3.708 . 5.427 4.204 3.214 4.945 . 0 0 "[ . 1 . 2]" 1
2008 1 9 GLY HA2 2 43 TRP H 3.838 . 5.679 3.474 3.333 3.666 . 0 0 "[ . 1 . 2]" 1
2009 1 1 ALA MB 2 29 GLY H 3.821 . 5.646 5.769 5.216 5.910 0.264 16 0 "[ . 1 . 2]" 1
2010 1 1 ALA HA 2 28 THR H 3.422 . 4.886 4.984 4.637 5.104 0.218 5 0 "[ . 1 . 2]" 1
2011 1 10 ASN H 2 43 TRP H 3.220 . 4.516 4.194 3.592 4.611 0.095 1 0 "[ . 1 . 2]" 1
2012 1 6 ILE MD 2 118 LYS H 3.812 . 5.628 5.543 5.473 5.627 . 0 0 "[ . 1 . 2]" 1
2013 1 7 SER HA 2 119 PRO HA 2.196 . 2.799 2.736 2.446 3.070 0.271 4 0 "[ . 1 . 2]" 1
2014 1 6 ILE MD 2 36 VAL MG1 2.065 . 2.598 1.764 1.710 1.887 . 0 0 "[ . 1 . 2]" 1
2015 1 6 ILE MD 2 39 VAL MG1 2.365 . 3.064 2.203 1.704 2.367 . 0 0 "[ . 1 . 2]" 1
2016 1 6 ILE MD 2 36 VAL HA 2.144 . 2.719 2.853 2.665 2.903 0.184 12 0 "[ . 1 . 2]" 1
2017 1 6 ILE QG 2 40 SER HB3 2.685 . 3.586 2.567 2.030 3.798 0.212 5 0 "[ . 1 . 2]" 1
2018 1 2 ASP HB3 2 28 THR MG 2.732 . 3.665 3.715 3.299 4.165 0.500 15 1 "[ . 1 + 2]" 1
2019 1 6 ILE MG 2 36 VAL MG1 3.007 . 4.137 3.562 3.315 3.665 . 0 0 "[ . 1 . 2]" 1
2020 1 3 PRO QG 2 114 ARG HB3 2.876 . 3.910 2.883 2.391 4.513 0.603 13 1 "[ . 1 + . 2]" 1
2021 1 2 ASP HB2 2 28 THR MG 2.995 . 4.116 4.025 3.488 4.235 0.119 3 0 "[ . 1 . 2]" 1
2022 1 7 SER QB 2 119 PRO HA 2.749 . 3.693 3.162 2.753 3.420 . 0 0 "[ . 1 . 2]" 1
2023 1 9 GLY HA3 2 43 TRP HB2 2.808 . 3.793 4.084 3.613 4.300 0.507 3 1 "[ + . 1 . 2]" 1
2024 1 9 GLY HA2 2 40 SER HB3 2.973 . 4.078 3.078 2.349 3.955 . 0 0 "[ . 1 . 2]" 1
2025 1 9 GLY HA2 2 40 SER HB2 2.937 . 4.015 2.596 2.026 3.950 . 0 0 "[ . 1 . 2]" 1
2026 1 1 ALA HA 2 28 THR MG 3.089 . 4.281 2.084 1.849 2.610 0.048 14 0 "[ . 1 . 2]" 1
2027 1 6 ILE MG 2 115 ILE MG 2.397 . 3.115 2.034 1.866 2.303 . 0 0 "[ . 1 . 2]" 1
2028 1 1 ALA MB 2 113 ARG HD3 2.632 . 3.498 2.927 1.894 3.735 0.237 10 0 "[ . 1 . 2]" 1
2029 1 1 ALA MB 2 113 ARG HD2 2.541 . 3.348 3.142 2.148 3.608 0.260 10 0 "[ . 1 . 2]" 1
2030 1 6 ILE HB 2 115 ILE MG 2.157 . 2.739 2.913 2.808 3.154 0.415 6 0 "[ . 1 . 2]" 1
2031 1 7 SER QB 2 120 GLU QG 2.660 . 3.544 2.040 1.819 2.576 0.026 11 0 "[ . 1 . 2]" 1
2032 1 6 ILE H 2 115 ILE MG 2.970 . 4.073 3.841 3.583 4.083 0.010 6 0 "[ . 1 . 2]" 1
2033 1 4 LEU HB2 2 36 VAL MG2 2.479 . 3.247 3.172 1.901 3.567 0.320 17 0 "[ . 1 . 2]" 1
2034 1 6 ILE HA 2 36 VAL MG1 2.307 . 2.972 2.736 2.588 3.065 0.093 18 0 "[ . 1 . 2]" 1
2035 1 6 ILE MD 2 36 VAL HB 3.476 . 4.987 3.945 3.864 4.193 . 0 0 "[ . 1 . 2]" 1
2036 1 6 ILE MG 2 39 VAL MG2 2.744 . 3.685 3.677 3.555 3.924 0.239 6 0 "[ . 1 . 2]" 1
2037 1 6 ILE MD 2 40 SER HB3 3.222 . 4.520 1.899 1.718 3.049 0.206 12 0 "[ . 1 . 2]" 1
2038 1 6 ILE MG 2 36 VAL MG2 3.038 . 4.192 3.614 3.468 3.795 . 0 0 "[ . 1 . 2]" 1
2039 1 4 LEU H 2 115 ILE MG 3.162 . 4.412 4.559 4.476 4.653 0.241 6 0 "[ . 1 . 2]" 1
2040 1 7 SER H 2 36 VAL MG1 2.946 . 4.031 4.240 4.120 4.356 0.325 18 0 "[ . 1 . 2]" 1
2041 1 9 GLY HA2 2 43 TRP HB2 3.015 . 4.151 3.933 3.688 4.200 0.049 20 0 "[ . 1 . 2]" 1
2042 1 10 ASN H 2 43 TRP HB3 3.371 . 4.791 4.119 3.821 4.539 . 0 0 "[ . 1 . 2]" 1
2043 1 7 SER HA 2 120 GLU QG 3.186 . 4.455 3.685 2.629 4.246 . 0 0 "[ . 1 . 2]" 1
2044 1 6 ILE MG 2 115 ILE MD 3.191 . 4.464 4.484 4.365 4.622 0.158 18 0 "[ . 1 . 2]" 1
2045 1 6 ILE QG 2 43 TRP HE3 2.234 . 2.858 2.798 2.734 2.944 0.086 18 0 "[ . 1 . 2]" 1
2046 1 9 GLY HA3 2 43 TRP HE3 2.787 . 3.758 2.945 2.024 4.060 0.302 9 0 "[ . 1 . 2]" 1
2047 1 8 SER QB 2 43 TRP HE3 2.995 . 4.116 4.224 3.999 4.683 0.567 8 1 "[ . + 1 . 2]" 1
2048 1 6 ILE QG 2 43 TRP HZ3 2.446 . 3.194 3.208 3.170 3.266 0.072 7 0 "[ . 1 . 2]" 1
2049 1 8 SER H 2 43 TRP HZ3 3.339 . 4.733 3.982 3.206 4.690 . 0 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 27
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 83.150
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_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
2 30 SER 0.532 0.133 6 0 "[ . 1 . 2]"
2 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LEU 1.343 0.133 6 0 "[ . 1 . 2]"
2 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ASN 0.360 0.088 10 0 "[ . 1 . 2]"
2 38 LEU 0.812 0.073 5 0 "[ . 1 . 2]"
2 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 GLN 0.360 0.088 10 0 "[ . 1 . 2]"
2 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ASP 0.011 0.011 1 0 "[ . 1 . 2]"
2 79 LYS 0.407 0.079 15 0 "[ . 1 . 2]"
2 80 PRO 0.057 0.026 15 0 "[ . 1 . 2]"
2 81 PHE 0.499 0.072 9 0 "[ . 1 . 2]"
2 82 ASP 0.011 0.011 1 0 "[ . 1 . 2]"
2 83 SER 0.717 0.084 14 0 "[ . 1 . 2]"
2 84 SER 0.057 0.026 15 0 "[ . 1 . 2]"
2 85 ALA 0.499 0.072 9 0 "[ . 1 . 2]"
2 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 ALA 0.310 0.084 14 0 "[ . 1 . 2]"
2 88 ALA 1.170 0.102 7 0 "[ . 1 . 2]"
2 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 VAL 1.170 0.102 7 0 "[ . 1 . 2]"
2 115 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 117 PHE 0.000 0.000 . 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 2 30 SER O 2 34 LEU H 2.200 . 2.700 2.620 2.244 2.833 0.133 6 0 "[ . 1 . 2]" 2
2 2 31 LEU O 2 35 ILE H 2.200 . 2.700 1.922 1.821 2.037 . 0 0 "[ . 1 . 2]" 2
3 2 32 ASP O 2 36 VAL H 2.200 . 2.700 2.138 1.930 2.521 . 0 0 "[ . 1 . 2]" 2
4 2 33 ASP O 2 37 ASN H 2.200 . 2.700 1.819 1.757 1.960 . 0 0 "[ . 1 . 2]" 2
5 2 34 LEU O 2 38 LEU H 2.200 . 2.700 1.689 1.657 1.728 0.073 5 0 "[ . 1 . 2]" 2
6 2 35 ILE O 2 39 VAL H 2.200 . 2.700 1.965 1.872 2.060 . 0 0 "[ . 1 . 2]" 2
7 2 36 VAL O 2 40 SER H 2.200 . 2.700 2.296 2.121 2.449 . 0 0 "[ . 1 . 2]" 2
8 2 37 ASN O 2 41 GLN H 2.200 . 2.700 2.698 2.586 2.788 0.088 10 0 "[ . 1 . 2]" 2
9 2 58 LEU O 2 71 SER H 2.200 . 2.700 1.873 1.800 2.027 . 0 0 "[ . 1 . 2]" 2
10 2 58 LEU H 2 71 SER O 2.200 . 2.700 2.136 2.013 2.268 . 0 0 "[ . 1 . 2]" 2
11 2 56 GLU O 2 73 SER H 2.200 . 2.700 1.856 1.771 1.965 . 0 0 "[ . 1 . 2]" 2
12 2 55 VAL O 2 117 PHE H 2.200 . 2.700 1.880 1.778 1.998 . 0 0 "[ . 1 . 2]" 2
13 2 57 VAL H 2 115 ILE O 2.200 . 2.700 1.983 1.870 2.295 . 0 0 "[ . 1 . 2]" 2
14 2 57 VAL O 2 115 ILE H 2.200 . 2.700 1.930 1.840 2.054 . 0 0 "[ . 1 . 2]" 2
15 2 38 LEU O 2 42 GLN H 2.200 . 2.700 2.255 2.105 2.501 . 0 0 "[ . 1 . 2]" 2
16 2 39 VAL O 2 43 TRP H 2.200 . 2.700 2.223 2.071 2.341 . 0 0 "[ . 1 . 2]" 2
17 2 78 ASP O 2 82 ASP H 2.200 . 2.700 1.818 1.719 1.980 0.011 1 0 "[ . 1 . 2]" 2
18 2 79 LYS O 2 83 SER H 2.200 . 2.700 1.720 1.651 1.794 0.079 15 0 "[ . 1 . 2]" 2
19 2 80 PRO O 2 84 SER H 2.200 . 2.700 1.759 1.704 1.850 0.026 15 0 "[ . 1 . 2]" 2
20 2 81 PHE O 2 85 ALA H 2.200 . 2.700 2.720 2.645 2.772 0.072 9 0 "[ . 1 . 2]" 2
21 2 82 ASP O 2 86 VAL H 2.200 . 2.700 2.244 2.089 2.360 . 0 0 "[ . 1 . 2]" 2
22 2 83 SER O 2 87 ALA H 2.200 . 2.700 1.727 1.646 1.846 0.084 14 0 "[ . 1 . 2]" 2
23 2 84 SER O 2 88 ALA H 2.200 . 2.700 2.469 2.379 2.548 . 0 0 "[ . 1 . 2]" 2
24 2 85 ALA O 2 89 VAL H 2.200 . 2.700 1.921 1.878 1.977 . 0 0 "[ . 1 . 2]" 2
25 2 86 VAL O 2 90 ARG H 2.200 . 2.700 1.833 1.770 1.904 . 0 0 "[ . 1 . 2]" 2
26 2 87 ALA O 2 91 ASN H 2.200 . 2.700 2.487 2.370 2.630 . 0 0 "[ . 1 . 2]" 2
27 2 88 ALA O 2 92 VAL H 2.200 . 2.700 2.758 2.698 2.802 0.102 7 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 32.647
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0204
_Distance_constraint_stats_list.Viol_average_violations_only 0.0495
_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 4 LEU 0.914 0.130 3 0 "[ . 1 . 2]"
1 6 ILE 0.719 0.089 4 0 "[ . 1 . 2]"
2 114 ARG 0.914 0.130 3 0 "[ . 1 . 2]"
2 116 ILE 0.700 0.089 4 0 "[ . 1 . 2]"
2 118 LYS 0.019 0.019 18 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 6 ILE O 2 118 LYS H 2.200 . 2.700 1.911 1.711 2.158 0.019 18 0 "[ . 1 . 2]" 3
2 1 6 ILE H 2 116 ILE O 2.200 . 2.700 1.696 1.641 1.743 0.089 4 0 "[ . 1 . 2]" 3
3 1 4 LEU O 2 116 ILE H 2.200 . 2.700 2.031 1.848 2.156 . 0 0 "[ . 1 . 2]" 3
4 1 4 LEU H 2 114 ARG O 2.200 . 2.700 2.708 2.257 2.830 0.130 3 0 "[ . 1 . 2]" 3
stop_
save_
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