Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439582 | 2k6q RC | 15877 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6q
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 3042
_Distance_constraint_stats_list.Viol_count 4751
_Distance_constraint_stats_list.Viol_total 20528.418
_Distance_constraint_stats_list.Viol_max 2.158
_Distance_constraint_stats_list.Viol_rms 0.0978
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.2160
_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 2 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 1.654 0.279 15 0 "[ . 1 . 2]"
1 6 LYS 32.623 1.038 4 15 "[* +*** **** *-****2]"
1 7 THR 10.008 0.701 9 6 "[ - * +1 . ***2]"
1 8 PHE 18.643 0.788 15 7 "[ * -* **1 +* 2]"
1 9 LYS 19.058 1.646 5 9 "[ -*+ * 1* * .** *]"
1 10 GLN 26.994 1.038 4 11 "[* +** *** *-* *2]"
1 11 ARG 8.646 0.663 8 4 "[ * - + 1 .* 2]"
1 12 ARG 11.023 0.526 2 2 "[ + . - . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.122 0.046 18 0 "[ . 1 . 2]"
1 15 GLU 7.613 0.733 9 9 "[ * * *+1* *-* *2]"
1 16 GLN 2.635 0.627 18 1 "[ . 1 . + 2]"
1 17 ARG 12.805 0.896 18 6 "[ ** . -* . +*2]"
1 18 VAL 20.602 0.797 19 13 "[ * * ***** *** -+*]"
1 19 GLU 7.177 0.582 8 2 "[ . + 1 - 2]"
1 20 ASP 2.003 0.420 20 0 "[ . 1 . 2]"
1 21 VAL 13.288 0.797 19 8 "[ . * *** .* -+*]"
1 22 ARG 1.477 0.384 10 0 "[ . 1 . 2]"
1 23 LEU 7.518 0.527 15 1 "[ . 1 + 2]"
1 24 ILE 67.672 2.158 12 20 [******-****+********]
1 25 ARG 10.184 0.634 20 1 "[ . 1 . +]"
1 26 GLU 8.229 0.560 6 3 "[- .+ 1 .* 2]"
1 27 GLN 11.251 0.304 9 0 "[ . 1 . 2]"
1 28 HIS 10.009 0.560 6 3 "[- .+ 1 .* 2]"
1 29 PRO 0.383 0.037 20 0 "[ . 1 . 2]"
1 30 THR 7.156 0.802 11 4 "[ . * *+ . -2]"
1 31 LYS 50.194 2.158 12 20 [***********+*******-]
1 32 ILE 15.579 0.578 16 5 "[ *- * 1 .+* 2]"
1 33 PRO 15.124 0.881 19 20 [******-***********+*]
1 34 VAL 48.530 0.853 18 20 [*****-***********+**]
1 35 ILE 15.742 0.788 15 4 "[ .* *- + 2]"
1 36 ILE 11.385 0.486 17 0 "[ . 1 . 2]"
1 37 GLU 3.843 0.519 5 1 "[ + 1 . 2]"
1 38 ARG 6.431 0.519 5 1 "[ + 1 . 2]"
1 39 TYR 14.914 0.584 19 4 "[ .* 1 **. +2]"
1 40 LYS 3.425 0.366 16 0 "[ . 1 . 2]"
1 41 GLY 2.677 0.366 16 0 "[ . 1 . 2]"
1 42 GLU 2.980 0.584 19 3 "[ .* 1 - . +2]"
1 43 LYS 2.364 0.273 11 0 "[ . 1 . 2]"
1 44 GLN 0.587 0.111 11 0 "[ . 1 . 2]"
1 45 LEU 7.191 0.706 8 3 "[ . + 1 - . *]"
1 46 PRO 0.180 0.105 11 0 "[ . 1 . 2]"
1 47 VAL 0.234 0.234 20 0 "[ . 1 . 2]"
1 48 LEU 3.521 0.248 20 0 "[ . 1 . 2]"
1 49 ASP 0.272 0.054 5 0 "[ . 1 . 2]"
1 50 LYS 4.981 0.309 12 0 "[ . 1 . 2]"
1 51 THR 3.451 0.673 5 3 "[ * + 1 . -2]"
1 52 LYS 50.031 1.424 19 19 "[***-** ***********+*]"
1 53 PHE 53.714 1.455 16 19 "[-***** ********+****]"
1 54 LEU 43.006 1.159 14 20 [*************+***-**]
1 55 VAL 69.421 1.463 1 20 [+*******************]
1 56 PRO 8.178 0.481 19 0 "[ . 1 . 2]"
1 57 ASP 26.142 0.802 11 11 "[* *. ** *+ *** -*]"
1 58 HIS 5.510 0.481 19 0 "[ . 1 . 2]"
1 59 VAL 6.078 0.524 19 1 "[ . 1 . +2]"
1 60 ASN 1.398 0.140 18 0 "[ . 1 . 2]"
1 61 MET 40.648 1.051 16 20 [************-**+****]
1 62 SER 22.889 1.029 10 16 "[****** **+*** *- * *]"
1 63 GLU 3.501 0.317 13 0 "[ . 1 . 2]"
1 64 LEU 21.085 1.190 19 17 "[****.** *****-** *+*]"
1 65 ILE 98.719 2.074 1 20 [+************-******]
1 66 LYS 9.945 0.457 13 0 "[ . 1 . 2]"
1 67 ILE 27.917 1.190 19 18 "[**-********** ** *+*]"
1 68 ILE 9.220 0.847 14 1 "[ . 1 +. 2]"
1 69 ARG 10.142 0.543 18 2 "[ - 1 . + 2]"
1 70 ARG 20.649 0.668 1 6 "[+ * . - 1 *.** 2]"
1 71 ARG 7.441 0.543 18 2 "[ - 1 . + 2]"
1 72 LEU 2.466 0.275 7 0 "[ . 1 . 2]"
1 73 GLN 0.287 0.129 5 0 "[ . 1 . 2]"
1 74 LEU 6.835 0.488 7 0 "[ . 1 . 2]"
1 75 ASN 0.729 0.123 16 0 "[ . 1 . 2]"
1 76 ALA 1.246 0.243 7 0 "[ . 1 . 2]"
1 77 ASN 0.565 0.166 1 0 "[ . 1 . 2]"
1 78 GLN 11.018 0.603 6 1 "[ .+ 1 . 2]"
1 79 ALA 7.235 0.603 6 1 "[ .+ 1 . 2]"
1 80 PHE 13.549 0.847 14 1 "[ . 1 +. 2]"
1 81 PHE 18.139 0.610 3 8 "[* +*- * *1 ** 2]"
1 82 LEU 57.122 2.074 1 20 [+*******************]
1 83 LEU 147.481 2.068 5 20 [****+***********-***]
1 84 VAL 15.632 0.554 7 2 "[ -. + 1 . 2]"
1 85 ASN 0.106 0.032 17 0 "[ . 1 . 2]"
1 86 GLY 0.002 0.002 6 0 "[ . 1 . 2]"
1 87 HIS 0.403 0.062 7 0 "[ . 1 . 2]"
1 88 SER 4.247 0.584 6 2 "[ - .+ 1 . 2]"
1 89 MET 38.484 1.264 12 16 "[****** ****+* ** *-2]"
1 90 VAL 1.992 0.112 20 0 "[ . 1 . 2]"
1 91 SER 0.332 0.144 7 0 "[ . 1 . 2]"
1 92 VAL 3.503 0.200 11 0 "[ . 1 . 2]"
1 93 SER 0.540 0.057 7 0 "[ . 1 . 2]"
1 94 THR 7.476 0.498 3 0 "[ . 1 . 2]"
1 95 PRO 2.244 0.140 18 0 "[ . 1 . 2]"
1 96 ILE 5.216 0.164 16 0 "[ . 1 . 2]"
1 97 SER 1.865 0.336 10 0 "[ . 1 . 2]"
1 98 GLU 2.977 0.239 1 0 "[ . 1 . 2]"
1 99 VAL 13.998 0.665 15 1 "[ . 1 + 2]"
1 100 TYR 5.805 0.314 10 0 "[ . 1 . 2]"
1 101 GLU 0.657 0.288 6 0 "[ . 1 . 2]"
1 102 SER 4.348 0.665 15 1 "[ . 1 + 2]"
1 103 GLU 5.916 0.466 15 0 "[ . 1 . 2]"
1 104 ARG 3.218 0.314 10 0 "[ . 1 . 2]"
1 105 ASP 2.793 0.247 1 0 "[ . 1 . 2]"
1 106 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 107 ASP 0.368 0.073 18 0 "[ . 1 . 2]"
1 108 GLY 5.910 0.454 3 0 "[ . 1 . 2]"
1 109 PHE 11.358 0.896 18 4 "[ * . 1* . +-2]"
1 110 LEU 4.115 0.342 10 0 "[ . 1 . 2]"
1 111 TYR 33.704 1.646 5 19 "[****+ *******-******]"
1 112 MET 119.237 2.068 5 20 [****+-**************]
1 113 VAL 61.950 0.583 5 13 "[ **+* *** ** - ***2]"
1 114 TYR 22.357 0.564 12 3 "[ * . - + . 2]"
1 115 ALA 16.093 0.706 8 3 "[ . + 1 - . *]"
1 116 SER 3.223 0.434 12 0 "[ . 1 . 2]"
1 117 GLN 16.159 0.849 10 7 "[* - . * + * . ** 2]"
1 118 GLU 7.388 0.384 14 0 "[ . 1 . 2]"
1 119 THR 37.008 0.849 10 18 "[* * **-**+**********]"
1 120 PHE 11.945 0.621 10 3 "[ . + * .* 2]"
1 121 GLY 17.334 0.674 16 17 "[* * **-**1*****+****]"
2 1 MET 0.059 0.037 15 0 "[ . 1 . 2]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLY 0.259 0.138 7 0 "[ . 1 . 2]"
2 5 ASP 13.089 1.424 19 9 "[** * *1 * * *-+2]"
2 6 ASP 1.055 0.215 12 0 "[ . 1 . 2]"
2 7 ASP 6.480 0.733 9 2 "[ . +1 . - 2]"
2 8 TRP 45.247 1.003 19 20 [********-*********+*]
2 9 THR 27.918 1.463 1 18 "[+**-************** 2]"
2 10 HIS 7.366 0.478 10 0 "[ . 1 . 2]"
2 11 LEU 18.177 0.758 3 3 "[ + - 1 . * 2]"
2 12 SER 0.524 0.094 3 0 "[ . 1 . 2]"
2 13 SER 1.487 0.283 17 0 "[ . 1 . 2]"
2 14 LYS 0.779 0.094 3 0 "[ . 1 . 2]"
2 15 GLU 3.117 0.327 19 0 "[ . 1 . 2]"
2 16 VAL 19.537 0.890 2 13 "[*+-** * * ** ** * *]"
2 17 ASP 8.048 0.668 1 5 "[+ * . - 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 2 MET HA 1 3 PRO HD2 . . 3.260 2.615 2.183 2.901 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 3 PRO QD . . 2.800 1.982 1.900 2.079 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 PRO HD3 . . 3.260 2.083 1.956 2.229 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLU H 1 6 LYS H . . 4.630 4.508 4.340 4.632 0.002 1 0 "[ . 1 . 2]" 1
5 1 5 GLU HA 1 5 GLU HG2 . . 3.970 3.738 3.659 3.789 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU HA 1 5 GLU QG . . 3.410 3.171 2.651 3.322 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU HA 1 5 GLU HG3 . . 3.970 3.483 2.707 3.795 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU HA 1 6 LYS H . . 3.080 2.358 2.212 2.669 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU QB 1 5 GLU QG . . 2.330 2.078 1.994 2.108 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU HB2 1 6 LYS H . . 4.220 3.218 2.208 4.098 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU HB3 1 6 LYS H . . 4.220 4.199 3.742 4.499 0.279 15 0 "[ . 1 . 2]" 1
12 1 5 GLU QG 1 6 LYS QG . . 5.180 4.892 4.179 5.178 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HG2 1 6 LYS H . . 4.450 4.297 4.097 4.472 0.022 14 0 "[ . 1 . 2]" 1
14 1 5 GLU HG3 1 6 LYS H . . 4.450 3.218 2.623 3.611 . 0 0 "[ . 1 . 2]" 1
15 1 6 LYS H 1 6 LYS QB . . 3.350 2.259 2.109 2.505 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS H 1 6 LYS QD . . 3.880 3.906 3.657 4.016 0.136 15 0 "[ . 1 . 2]" 1
17 1 6 LYS H 1 6 LYS QE . . 4.840 4.554 2.737 5.134 0.294 7 0 "[ . 1 . 2]" 1
18 1 6 LYS H 1 6 LYS HG2 . . 4.060 2.982 1.941 3.889 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS H 1 6 LYS QG . . 3.540 2.359 1.908 2.732 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS H 1 6 LYS HG3 . . 4.060 2.909 1.944 3.804 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS HA 1 6 LYS QD . . 4.400 3.155 1.959 4.094 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS HA 1 6 LYS QE . . 4.330 4.072 2.411 4.568 0.238 19 0 "[ . 1 . 2]" 1
23 1 6 LYS HA 1 6 LYS HG2 . . 4.200 2.500 2.255 2.737 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HA 1 6 LYS QG . . 3.630 2.415 2.166 2.666 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS HA 1 6 LYS HG3 . . 4.200 3.264 2.728 3.779 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS HA 1 7 THR H . . 2.780 2.627 2.428 2.789 0.009 15 0 "[ . 1 . 2]" 1
27 1 6 LYS HA 1 7 THR MG . . 3.650 3.430 2.959 3.654 0.004 20 0 "[ . 1 . 2]" 1
28 1 6 LYS HA 1 10 GLN H . . 5.500 5.526 5.491 5.637 0.137 17 0 "[ . 1 . 2]" 1
29 1 6 LYS QB 1 7 THR H . . 3.350 2.209 1.985 2.570 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS QB 1 8 PHE H . . 5.500 5.510 5.438 5.585 0.085 19 0 "[ . 1 . 2]" 1
31 1 6 LYS QB 1 10 GLN HB2 . . 4.270 2.534 2.046 3.084 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS QD 1 7 THR H . . 3.700 3.708 2.775 4.401 0.701 9 6 "[ - * +1 . ***2]" 1
33 1 6 LYS QE 1 6 LYS HG2 . . 3.390 2.643 2.079 3.299 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS QE 1 6 LYS QG . . 2.960 2.176 2.014 2.444 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS QE 1 6 LYS HG3 . . 3.390 2.530 2.033 3.252 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS QE 1 7 THR H . . 5.500 4.926 3.784 5.498 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS QG 1 10 GLN H . . 5.340 5.772 5.362 6.077 0.737 1 9 "[+ *.* *** *-* 2]" 1
38 1 6 LYS QG 1 10 GLN HA . . 5.310 5.877 5.355 6.348 1.038 4 11 "[* +** *** *-* *2]" 1
39 1 6 LYS QG 1 10 GLN HB2 . . 4.590 3.941 3.337 4.433 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HG2 1 7 THR H . . 5.060 4.156 3.449 4.659 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HG3 1 7 THR H . . 5.060 4.661 4.321 4.844 . 0 0 "[ . 1 . 2]" 1
42 1 7 THR H 1 7 THR HB . . 4.110 3.522 3.207 3.740 . 0 0 "[ . 1 . 2]" 1
43 1 7 THR H 1 7 THR MG . . 3.090 2.600 1.818 3.091 0.001 8 0 "[ . 1 . 2]" 1
44 1 7 THR H 1 8 PHE H . . 4.830 4.530 4.471 4.601 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR H 1 10 GLN H . . 4.140 2.997 2.845 3.217 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR H 1 10 GLN HA . . 5.150 4.859 4.747 4.982 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR H 1 10 GLN HB2 . . 3.310 2.029 1.941 2.190 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR H 1 10 GLN HB3 . . 3.850 3.565 3.393 3.638 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR H 1 10 GLN QE . . 4.830 4.505 2.506 5.110 0.280 7 0 "[ . 1 . 2]" 1
50 1 7 THR H 1 10 GLN QG . . 4.060 3.546 3.057 3.834 . 0 0 "[ . 1 . 2]" 1
51 1 7 THR H 1 11 ARG H . . 4.850 2.554 2.255 3.038 . 0 0 "[ . 1 . 2]" 1
52 1 7 THR HA 1 7 THR MG . . 3.120 2.571 2.225 3.205 0.085 1 0 "[ . 1 . 2]" 1
53 1 7 THR HA 1 8 PHE H . . 3.310 2.318 2.261 2.369 . 0 0 "[ . 1 . 2]" 1
54 1 7 THR HA 1 8 PHE QB . . 4.700 4.309 4.035 4.603 . 0 0 "[ . 1 . 2]" 1
55 1 7 THR HA 1 9 LYS H . . 5.500 3.942 3.865 4.296 . 0 0 "[ . 1 . 2]" 1
56 1 7 THR HB 1 8 PHE H . . 3.370 3.101 2.738 3.806 0.436 12 0 "[ . 1 . 2]" 1
57 1 7 THR HB 1 9 LYS H . . 4.370 3.021 2.460 4.107 . 0 0 "[ . 1 . 2]" 1
58 1 7 THR MG 1 8 PHE H . . 4.170 3.859 3.604 4.159 . 0 0 "[ . 1 . 2]" 1
59 1 7 THR MG 1 10 GLN H . . 4.840 3.746 1.904 4.568 . 0 0 "[ . 1 . 2]" 1
60 1 7 THR MG 1 10 GLN HB2 . . 4.400 3.605 1.927 4.415 0.015 20 0 "[ . 1 . 2]" 1
61 1 8 PHE H 1 8 PHE QB . . 3.280 2.192 1.911 2.583 . 0 0 "[ . 1 . 2]" 1
62 1 8 PHE H 1 8 PHE QD . . 4.290 2.221 1.945 3.771 . 0 0 "[ . 1 . 2]" 1
63 1 8 PHE H 1 9 LYS H . . 4.120 2.890 2.825 3.011 . 0 0 "[ . 1 . 2]" 1
64 1 8 PHE H 1 10 GLN HB2 . . 5.500 5.732 5.582 5.878 0.378 16 0 "[ . 1 . 2]" 1
65 1 8 PHE H 1 11 ARG QB . . 4.870 4.116 3.890 4.251 . 0 0 "[ . 1 . 2]" 1
66 1 8 PHE H 1 35 ILE MG . . 5.500 5.331 4.968 5.516 0.016 15 0 "[ . 1 . 2]" 1
67 1 8 PHE H 1 37 GLU QG . . 5.500 4.300 3.108 5.314 . 0 0 "[ . 1 . 2]" 1
68 1 8 PHE HA 1 8 PHE QD . . 4.360 3.100 2.853 3.721 . 0 0 "[ . 1 . 2]" 1
69 1 8 PHE HA 1 11 ARG H . . 4.410 4.205 3.961 4.379 . 0 0 "[ . 1 . 2]" 1
70 1 8 PHE HA 1 11 ARG HB2 . . 4.060 4.353 3.229 4.723 0.663 8 4 "[ * - + 1 .* 2]" 1
71 1 8 PHE HA 1 11 ARG QB . . 3.540 2.771 2.482 3.023 . 0 0 "[ . 1 . 2]" 1
72 1 8 PHE HA 1 11 ARG HB3 . . 4.060 2.805 2.563 3.059 . 0 0 "[ . 1 . 2]" 1
73 1 8 PHE HA 1 11 ARG HG2 . . 4.760 4.623 4.200 5.043 0.283 20 0 "[ . 1 . 2]" 1
74 1 8 PHE HA 1 11 ARG QG . . 4.070 4.081 3.767 4.324 0.254 8 0 "[ . 1 . 2]" 1
75 1 8 PHE HA 1 11 ARG HG3 . . 4.760 4.566 4.155 4.817 0.057 7 0 "[ . 1 . 2]" 1
76 1 8 PHE HA 1 35 ILE MG . . 5.500 5.315 4.975 5.514 0.014 8 0 "[ . 1 . 2]" 1
77 1 8 PHE QB 1 9 LYS H . . 3.590 2.890 2.552 3.469 . 0 0 "[ . 1 . 2]" 1
78 1 8 PHE QB 1 35 ILE MD . . 4.830 4.363 3.863 4.571 . 0 0 "[ . 1 . 2]" 1
79 1 8 PHE QB 1 35 ILE MG . . 3.540 2.990 2.575 3.305 . 0 0 "[ . 1 . 2]" 1
80 1 8 PHE QB 1 51 THR MG . . 4.560 4.170 2.978 4.576 0.016 18 0 "[ . 1 . 2]" 1
81 1 8 PHE QD 1 35 ILE QG . . 5.500 5.305 4.311 6.288 0.788 15 3 "[ .- *1 + 2]" 1
82 1 8 PHE QD 1 35 ILE MG . . 5.280 3.340 2.493 3.990 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS H 1 9 LYS QB . . 3.110 2.572 2.463 2.725 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS H 1 9 LYS QD . . 4.110 3.737 3.275 4.031 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS H 1 9 LYS HG2 . . 4.230 2.127 1.917 3.001 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS H 1 9 LYS QG . . 3.710 1.952 1.851 2.154 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS H 1 9 LYS HG3 . . 4.230 2.882 1.913 3.571 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS H 1 10 GLN H . . 3.750 2.466 2.336 2.766 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS H 1 10 GLN HB2 . . 4.880 4.516 4.370 4.771 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS H 1 11 ARG H . . 5.090 4.286 4.155 4.629 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS HA 1 9 LYS QD . . 4.570 4.328 3.824 4.545 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS HA 1 9 LYS QE . . 5.240 4.612 4.010 5.232 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS QB 1 9 LYS QD . . 3.170 2.208 1.926 2.495 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS QB 1 9 LYS QE . . 4.260 2.445 1.906 3.358 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS QB 1 10 GLN H . . 3.800 3.453 3.290 3.592 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QB 1 10 GLN HA . . 5.020 4.374 4.170 4.522 . 0 0 "[ . 1 . 2]" 1
97 1 9 LYS QB 1 10 GLN QG . . 4.540 3.841 3.646 3.937 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS QB 1 111 TYR QE . . 4.740 3.637 2.453 4.821 0.081 13 0 "[ . 1 . 2]" 1
99 1 9 LYS HB2 1 10 GLN H . . 4.520 3.784 3.495 4.038 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS HB2 1 111 TYR QE . . 5.500 4.591 3.364 5.986 0.486 13 0 "[ . 1 . 2]" 1
101 1 9 LYS HB3 1 10 GLN H . . 4.520 4.001 3.815 4.152 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS HB3 1 111 TYR QE . . 5.500 3.850 2.491 5.085 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS QD 1 10 GLN H . . 5.500 3.786 2.911 4.204 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS QD 1 111 TYR QE . . 5.500 5.616 4.117 7.146 1.646 5 6 "[ -*+ 1* * . * 2]" 1
105 1 9 LYS QE 1 9 LYS QG . . 3.310 2.282 1.986 2.943 . 0 0 "[ . 1 . 2]" 1
106 1 9 LYS QE 1 10 GLN H . . 5.500 4.353 3.590 4.784 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS QE 1 111 TYR QE . . 5.500 5.680 3.549 6.976 1.476 13 7 "[ -. * 1* + .** *]" 1
108 1 9 LYS QG 1 10 GLN H . . 4.160 1.935 1.794 2.097 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS QG 1 10 GLN HA . . 5.340 3.605 3.279 4.304 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS HG2 1 10 GLN H . . 5.030 2.699 1.969 3.726 . 0 0 "[ . 1 . 2]" 1
111 1 9 LYS HG3 1 10 GLN H . . 5.030 2.166 1.891 2.970 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLN H 1 10 GLN HB2 . . 3.570 2.258 2.173 2.380 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLN H 1 10 GLN HB3 . . 4.110 3.539 3.487 3.607 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLN H 1 10 GLN QG . . 3.800 2.725 2.427 2.987 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLN H 1 11 ARG H . . 3.780 2.611 2.526 2.846 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLN H 1 11 ARG QB . . 5.340 4.128 4.003 4.371 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLN HA 1 10 GLN QG . . 3.150 2.367 2.076 2.925 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLN HB2 1 11 ARG H . . 4.530 2.330 2.196 2.495 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLN HB2 1 11 ARG HA . . 4.970 4.353 4.129 4.507 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLN HB3 1 11 ARG H . . 4.080 3.062 2.852 3.262 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLN QG 1 11 ARG H . . 4.990 4.069 3.901 4.222 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG H 1 11 ARG HB2 . . 3.830 2.457 2.185 2.561 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG H 1 11 ARG QB . . 3.240 2.232 2.130 2.253 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG H 1 11 ARG HB3 . . 3.830 2.581 2.485 2.946 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG H 1 11 ARG QD . . 4.320 4.042 3.947 4.130 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG H 1 11 ARG HG2 . . 4.750 4.575 4.074 4.617 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG H 1 11 ARG HG3 . . 4.750 4.467 4.413 4.633 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG H 1 12 ARG H . . 3.600 3.369 3.185 3.519 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG HA 1 11 ARG HD2 . . 4.260 2.382 2.027 3.186 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG HA 1 11 ARG QD . . 3.740 2.163 1.985 2.361 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HA 1 11 ARG HD3 . . 4.260 2.657 2.005 3.197 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG QB 1 11 ARG QD . . 3.240 2.307 2.188 2.576 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG QB 1 12 ARG H . . 3.410 1.949 1.886 2.060 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG HB2 1 11 ARG HD2 . . 4.170 3.269 2.919 3.789 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG HB2 1 11 ARG HD3 . . 4.170 2.460 2.258 3.574 . 0 0 "[ . 1 . 2]" 1
136 1 11 ARG HB2 1 12 ARG H . . 4.270 3.529 3.362 3.606 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG HB3 1 11 ARG HD2 . . 4.170 3.799 2.824 3.973 . 0 0 "[ . 1 . 2]" 1
138 1 11 ARG HB3 1 11 ARG HD3 . . 4.170 3.644 3.412 3.736 . 0 0 "[ . 1 . 2]" 1
139 1 11 ARG HB3 1 12 ARG H . . 4.270 1.958 1.896 2.073 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG QD 1 12 ARG H . . 4.320 4.061 3.173 4.269 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG HD2 1 12 ARG H . . 5.180 4.350 3.310 4.602 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HD3 1 12 ARG H . . 5.180 4.875 4.072 5.168 . 0 0 "[ . 1 . 2]" 1
143 1 11 ARG QG 1 12 ARG H . . 4.010 2.690 2.333 3.769 . 0 0 "[ . 1 . 2]" 1
144 1 11 ARG HG2 1 12 ARG H . . 4.800 3.707 3.267 4.624 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG HG3 1 12 ARG H . . 4.800 2.766 2.389 3.994 . 0 0 "[ . 1 . 2]" 1
146 1 12 ARG H 1 12 ARG HB2 . . 3.610 2.101 2.022 2.322 . 0 0 "[ . 1 . 2]" 1
147 1 12 ARG H 1 12 ARG HB3 . . 3.610 3.425 3.319 3.556 . 0 0 "[ . 1 . 2]" 1
148 1 12 ARG H 1 12 ARG HD2 . . 4.390 2.568 2.050 3.482 . 0 0 "[ . 1 . 2]" 1
149 1 12 ARG H 1 12 ARG QD . . 3.690 2.265 1.798 2.698 . 0 0 "[ . 1 . 2]" 1
150 1 12 ARG H 1 12 ARG HD3 . . 4.390 2.914 1.951 4.090 . 0 0 "[ . 1 . 2]" 1
151 1 12 ARG H 1 12 ARG QG . . 3.320 3.537 3.263 3.759 0.439 19 0 "[ . 1 . 2]" 1
152 1 12 ARG HA 1 12 ARG HD2 . . 5.230 2.616 2.001 3.783 . 0 0 "[ . 1 . 2]" 1
153 1 12 ARG HA 1 12 ARG QD . . 4.400 2.555 1.968 3.541 . 0 0 "[ . 1 . 2]" 1
154 1 12 ARG HA 1 12 ARG HD3 . . 5.230 3.691 2.905 4.266 . 0 0 "[ . 1 . 2]" 1
155 1 12 ARG QB 1 17 ARG H . . 4.380 4.125 3.712 4.326 . 0 0 "[ . 1 . 2]" 1
156 1 12 ARG QG 1 17 ARG H . . 4.830 5.156 4.730 5.356 0.526 2 2 "[ + . - . 2]" 1
157 1 13 SER HA 1 14 PHE H . . 2.860 2.233 2.215 2.260 . 0 0 "[ . 1 . 2]" 1
158 1 13 SER HA 1 14 PHE QB . . 5.060 3.961 3.933 3.989 . 0 0 "[ . 1 . 2]" 1
159 1 13 SER QB 1 15 GLU H . . 3.550 3.248 2.810 3.517 . 0 0 "[ . 1 . 2]" 1
160 1 13 SER HB2 1 14 PHE H . . 4.920 4.148 3.374 4.570 . 0 0 "[ . 1 . 2]" 1
161 1 13 SER HB3 1 14 PHE H . . 4.920 3.598 3.284 4.327 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE H 1 14 PHE HB2 . . 3.260 1.984 1.957 2.031 . 0 0 "[ . 1 . 2]" 1
163 1 14 PHE H 1 14 PHE HB3 . . 3.260 2.872 2.750 2.937 . 0 0 "[ . 1 . 2]" 1
164 1 14 PHE H 1 14 PHE QD . . 4.230 3.725 3.642 3.824 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE H 1 15 GLU H . . 3.890 3.052 2.725 3.237 . 0 0 "[ . 1 . 2]" 1
166 1 14 PHE H 1 15 GLU QB . . 5.340 4.851 4.574 5.353 0.013 9 0 "[ . 1 . 2]" 1
167 1 14 PHE H 1 17 ARG QB . . 5.500 4.842 4.286 5.433 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE HA 1 14 PHE QD . . 3.980 2.030 1.988 2.204 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE HA 1 17 ARG H . . 4.070 3.227 3.047 3.608 . 0 0 "[ . 1 . 2]" 1
170 1 14 PHE HA 1 17 ARG QB . . 4.080 2.693 2.273 3.798 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE QB 1 15 GLU H . . 3.070 2.194 1.914 2.530 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE HB2 1 15 GLU H . . 3.580 3.411 3.251 3.626 0.046 18 0 "[ . 1 . 2]" 1
173 1 14 PHE HB3 1 15 GLU H . . 3.580 2.224 1.928 2.586 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE QD 1 15 GLU H . . 4.630 4.066 3.811 4.378 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE QD 1 15 GLU HA . . 5.180 4.544 4.330 4.784 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE HZ 1 106 GLU QB . . 3.880 2.879 1.920 3.846 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HZ 1 106 GLU QG . . 4.700 4.054 1.962 4.470 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU H 1 15 GLU HB2 . . 3.710 2.430 2.051 3.536 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLU H 1 15 GLU QB . . 3.030 2.254 2.023 2.761 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU H 1 15 GLU HB3 . . 3.710 3.324 2.183 3.559 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLU H 1 15 GLU HG2 . . 3.980 3.261 1.990 4.213 0.233 2 0 "[ . 1 . 2]" 1
182 1 15 GLU H 1 15 GLU QG . . 3.440 2.558 1.918 3.631 0.191 2 0 "[ . 1 . 2]" 1
183 1 15 GLU H 1 15 GLU HG3 . . 3.980 2.959 2.066 3.964 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLU H 1 16 GLN H . . 3.600 2.749 2.358 2.948 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLU H 1 17 ARG H . . 4.890 4.198 3.656 4.671 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU H 1 18 VAL QG . . 4.750 3.776 3.237 4.370 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLU HA 1 15 GLU HG2 . . 3.880 2.721 2.188 3.865 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLU HA 1 15 GLU QG . . 3.350 2.469 2.124 3.310 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU HA 1 15 GLU HG3 . . 3.880 3.069 2.314 3.748 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLU HA 1 17 ARG H . . 5.100 4.335 3.764 4.985 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLU HA 1 18 VAL H . . 3.910 3.428 3.197 3.730 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HA 1 18 VAL HB . . 3.430 3.332 2.512 4.163 0.733 9 9 "[ * * *+1* *-* *2]" 1
193 1 15 GLU HA 1 18 VAL MG1 . . 4.070 3.067 1.773 4.106 0.036 18 0 "[ . 1 . 2]" 1
194 1 15 GLU HA 1 18 VAL QG . . 3.430 2.284 1.709 3.126 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLU HA 1 18 VAL MG2 . . 4.070 2.822 1.768 4.204 0.134 15 0 "[ . 1 . 2]" 1
196 1 15 GLU HA 1 19 GLU H . . 4.850 4.030 3.574 4.564 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLU QB 1 16 GLN H . . 3.750 2.991 2.339 3.686 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLU QB 1 18 VAL QG . . 5.280 3.813 2.945 4.551 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLU HB2 1 16 GLN H . . 4.280 3.218 2.422 4.030 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLU HB3 1 16 GLN H . . 4.280 3.718 2.870 4.344 0.064 15 0 "[ . 1 . 2]" 1
201 1 16 GLN H 1 16 GLN HB2 . . 4.020 2.332 2.080 3.437 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLN H 1 16 GLN QB . . 3.520 2.183 2.059 2.299 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLN H 1 16 GLN HB3 . . 4.020 3.101 2.123 3.540 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLN H 1 16 GLN QG . . 4.560 3.243 2.243 4.027 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLN H 1 17 ARG H . . 3.430 2.479 2.273 2.771 . 0 0 "[ . 1 . 2]" 1
206 1 16 GLN HA 1 16 GLN QE . . 4.990 3.678 2.191 4.699 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLN HA 1 16 GLN QG . . 3.160 2.510 2.049 3.252 0.092 18 0 "[ . 1 . 2]" 1
208 1 16 GLN HA 1 19 GLU H . . 3.940 3.508 3.072 3.947 0.007 5 0 "[ . 1 . 2]" 1
209 1 16 GLN HA 1 19 GLU QB . . 3.370 2.897 2.337 3.579 0.209 10 0 "[ . 1 . 2]" 1
210 1 16 GLN HA 1 20 ASP H . . 5.250 4.400 3.767 5.201 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLN QB 1 16 GLN QG . . 2.260 2.052 2.006 2.109 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLN QB 1 17 ARG H . . 3.240 2.806 2.253 3.669 0.429 18 0 "[ . 1 . 2]" 1
213 1 16 GLN HB2 1 17 ARG H . . 3.760 3.353 2.594 4.387 0.627 18 1 "[ . 1 . + 2]" 1
214 1 16 GLN HB3 1 17 ARG H . . 3.760 3.292 2.279 3.992 0.232 15 0 "[ . 1 . 2]" 1
215 1 16 GLN QE 1 16 GLN QG . . 2.990 2.289 2.032 2.601 . 0 0 "[ . 1 . 2]" 1
216 1 17 ARG H 1 17 ARG QB . . 3.700 2.292 1.995 2.769 . 0 0 "[ . 1 . 2]" 1
217 1 17 ARG H 1 17 ARG QG . . 4.060 3.008 1.846 4.014 . 0 0 "[ . 1 . 2]" 1
218 1 17 ARG H 1 18 VAL H . . 3.660 2.497 2.230 2.850 . 0 0 "[ . 1 . 2]" 1
219 1 17 ARG H 1 18 VAL QG . . 4.520 3.625 3.092 4.216 . 0 0 "[ . 1 . 2]" 1
220 1 17 ARG H 1 19 GLU H . . 4.470 4.021 3.583 4.622 0.152 10 0 "[ . 1 . 2]" 1
221 1 17 ARG H 1 107 ASP QB . . 5.340 5.183 4.632 5.413 0.073 18 0 "[ . 1 . 2]" 1
222 1 17 ARG HA 1 20 ASP H . . 4.110 3.460 2.913 3.802 . 0 0 "[ . 1 . 2]" 1
223 1 17 ARG HA 1 20 ASP QB . . 4.110 2.825 2.401 3.612 . 0 0 "[ . 1 . 2]" 1
224 1 17 ARG HA 1 109 PHE QE . . 3.970 3.839 2.904 4.866 0.896 18 4 "[ * . 1* . +-2]" 1
225 1 17 ARG QB 1 18 VAL H . . 4.220 2.824 2.204 3.421 . 0 0 "[ . 1 . 2]" 1
226 1 17 ARG QB 1 18 VAL QG . . 4.330 3.217 2.860 4.364 0.034 15 0 "[ . 1 . 2]" 1
227 1 18 VAL H 1 18 VAL HB . . 3.630 2.685 2.259 3.565 . 0 0 "[ . 1 . 2]" 1
228 1 18 VAL H 1 18 VAL MG1 . . 3.900 2.920 1.850 3.726 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL H 1 18 VAL QG . . 3.040 2.138 1.805 2.509 . 0 0 "[ . 1 . 2]" 1
230 1 18 VAL H 1 18 VAL MG2 . . 3.900 2.627 1.989 3.712 . 0 0 "[ . 1 . 2]" 1
231 1 18 VAL H 1 19 GLU H . . 3.510 2.538 2.288 2.993 . 0 0 "[ . 1 . 2]" 1
232 1 18 VAL H 1 20 ASP H . . 4.840 4.050 3.702 4.623 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL H 1 21 VAL QG . . 4.920 4.872 4.013 5.362 0.442 18 0 "[ . 1 . 2]" 1
234 1 18 VAL HA 1 18 VAL MG1 . . 3.230 2.630 2.280 3.211 . 0 0 "[ . 1 . 2]" 1
235 1 18 VAL HA 1 18 VAL QG . . 2.790 2.225 2.074 2.426 . 0 0 "[ . 1 . 2]" 1
236 1 18 VAL HA 1 18 VAL MG2 . . 3.230 2.532 2.224 3.202 . 0 0 "[ . 1 . 2]" 1
237 1 18 VAL HA 1 20 ASP QB . . 5.340 4.764 4.250 5.127 . 0 0 "[ . 1 . 2]" 1
238 1 18 VAL HA 1 21 VAL H . . 4.900 3.488 3.014 3.756 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL HA 1 21 VAL HB . . 4.570 3.134 2.184 4.811 0.241 8 0 "[ . 1 . 2]" 1
240 1 18 VAL HA 1 21 VAL MG1 . . 4.120 3.471 2.530 4.123 0.003 1 0 "[ . 1 . 2]" 1
241 1 18 VAL HA 1 21 VAL MG2 . . 4.120 3.783 2.123 4.917 0.797 19 7 "[ . *** .* -+*]" 1
242 1 18 VAL HA 1 107 ASP HA . . 5.030 3.531 2.826 4.009 . 0 0 "[ . 1 . 2]" 1
243 1 18 VAL HA 1 107 ASP QB . . 5.340 3.025 2.289 3.853 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL HA 1 109 PHE H . . 5.500 5.369 4.469 5.575 0.075 18 0 "[ . 1 . 2]" 1
245 1 18 VAL HB 1 19 GLU H . . 3.600 3.313 2.251 4.182 0.582 8 1 "[ . + 1 . 2]" 1
246 1 18 VAL QG 1 19 GLU H . . 3.560 2.695 1.798 3.440 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL QG 1 19 GLU HA . . 4.010 3.290 2.926 3.606 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL QG 1 19 GLU QB . . 4.630 3.615 2.907 4.224 . 0 0 "[ . 1 . 2]" 1
249 1 18 VAL QG 1 19 GLU QG . . 5.300 4.611 4.214 4.760 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL QG 1 20 ASP H . . 5.310 4.385 3.738 4.743 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL QG 1 21 VAL HB . . 4.520 4.065 2.696 5.118 0.598 8 1 "[ . + 1 . 2]" 1
252 1 18 VAL QG 1 22 ARG H . . 4.590 4.143 3.440 4.604 0.014 19 0 "[ . 1 . 2]" 1
253 1 18 VAL QG 1 107 ASP H . . 4.260 3.706 3.184 4.163 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL QG 1 107 ASP HA . . 2.960 1.898 1.750 2.027 . 0 0 "[ . 1 . 2]" 1
255 1 18 VAL QG 1 107 ASP QB . . 3.350 2.284 1.669 2.976 . 0 0 "[ . 1 . 2]" 1
256 1 18 VAL QG 1 108 GLY H . . 5.030 4.446 4.185 4.694 . 0 0 "[ . 1 . 2]" 1
257 1 18 VAL MG1 1 19 GLU H . . 4.060 3.263 1.807 3.749 . 0 0 "[ . 1 . 2]" 1
258 1 18 VAL MG1 1 19 GLU QB . . 5.500 4.232 3.119 4.941 . 0 0 "[ . 1 . 2]" 1
259 1 18 VAL MG1 1 107 ASP H . . 5.500 4.693 3.204 5.507 0.007 6 0 "[ . 1 . 2]" 1
260 1 18 VAL MG1 1 107 ASP HA . . 4.000 2.752 1.962 3.514 . 0 0 "[ . 1 . 2]" 1
261 1 18 VAL MG2 1 19 GLU H . . 4.060 3.384 1.905 4.030 . 0 0 "[ . 1 . 2]" 1
262 1 18 VAL MG2 1 19 GLU QB . . 5.500 4.477 2.929 5.273 . 0 0 "[ . 1 . 2]" 1
263 1 18 VAL MG2 1 107 ASP H . . 5.500 4.369 3.569 5.533 0.033 19 0 "[ . 1 . 2]" 1
264 1 18 VAL MG2 1 107 ASP HA . . 4.000 2.337 1.771 3.714 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLU H 1 19 GLU QB . . 2.840 2.184 2.079 2.324 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLU H 1 19 GLU QG . . 3.970 3.757 2.372 3.987 0.017 16 0 "[ . 1 . 2]" 1
267 1 19 GLU H 1 20 ASP H . . 3.480 2.685 2.315 2.927 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU H 1 20 ASP HB2 . . 5.500 4.679 4.261 5.199 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLU H 1 20 ASP HB3 . . 5.500 5.165 4.679 5.508 0.008 10 0 "[ . 1 . 2]" 1
270 1 19 GLU H 1 21 VAL QG . . 5.440 4.846 3.878 5.174 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLU H 1 22 ARG H . . 5.170 4.774 4.465 5.040 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLU HA 1 19 GLU QG . . 3.410 2.527 2.261 3.299 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLU HA 1 22 ARG H . . 4.060 3.260 2.866 3.597 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLU HA 1 22 ARG QD . . 4.550 3.678 2.970 4.368 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLU QB 1 20 ASP H . . 3.580 2.782 2.372 3.572 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLU QG 1 20 ASP H . . 4.310 3.674 2.007 4.142 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLU QG 1 23 LEU H . . 5.260 4.735 4.285 4.990 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLU QG 1 23 LEU HG . . 4.100 4.162 3.576 4.627 0.527 15 1 "[ . 1 + 2]" 1
279 1 20 ASP H 1 20 ASP HB2 . . 3.820 2.209 2.011 2.554 . 0 0 "[ . 1 . 2]" 1
280 1 20 ASP H 1 20 ASP QB . . 3.290 2.112 1.985 2.223 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASP H 1 20 ASP HB3 . . 3.820 2.792 2.444 3.053 . 0 0 "[ . 1 . 2]" 1
282 1 20 ASP H 1 21 VAL H . . 4.030 2.767 2.404 3.007 . 0 0 "[ . 1 . 2]" 1
283 1 20 ASP H 1 21 VAL QG . . 4.770 4.334 3.197 4.727 . 0 0 "[ . 1 . 2]" 1
284 1 20 ASP H 1 22 ARG H . . 5.240 4.083 3.851 4.324 . 0 0 "[ . 1 . 2]" 1
285 1 20 ASP HA 1 22 ARG H . . 4.940 4.385 3.718 4.821 . 0 0 "[ . 1 . 2]" 1
286 1 20 ASP HA 1 23 LEU H . . 4.500 3.692 3.277 3.949 . 0 0 "[ . 1 . 2]" 1
287 1 20 ASP HA 1 23 LEU HB2 . . 4.920 3.628 3.197 3.998 . 0 0 "[ . 1 . 2]" 1
288 1 20 ASP HA 1 23 LEU MD2 . . 4.730 4.250 3.753 4.733 0.003 3 0 "[ . 1 . 2]" 1
289 1 20 ASP HA 1 24 ILE H . . 5.070 5.016 4.404 5.490 0.420 20 0 "[ . 1 . 2]" 1
290 1 20 ASP QB 1 21 VAL H . . 3.740 2.411 1.948 2.778 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASP QB 1 21 VAL QG . . 4.060 3.512 2.791 3.973 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASP QB 1 22 ARG H . . 5.330 4.561 4.291 4.822 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASP QB 1 109 PHE QE . . 3.900 2.214 1.979 3.254 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASP HB2 1 21 VAL H . . 4.270 3.586 3.320 4.050 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASP HB2 1 109 PHE QE . . 4.560 3.568 3.141 4.554 . 0 0 "[ . 1 . 2]" 1
296 1 20 ASP HB3 1 21 VAL H . . 4.270 2.457 1.962 2.908 . 0 0 "[ . 1 . 2]" 1
297 1 20 ASP HB3 1 109 PHE QE . . 4.560 2.239 1.993 3.339 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL H 1 21 VAL HB . . 3.540 2.181 2.014 3.523 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL H 1 21 VAL MG1 . . 4.180 3.161 2.148 3.689 . 0 0 "[ . 1 . 2]" 1
300 1 21 VAL H 1 21 VAL QG . . 3.270 2.538 1.816 2.729 . 0 0 "[ . 1 . 2]" 1
301 1 21 VAL H 1 21 VAL MG2 . . 4.180 2.942 1.958 3.604 . 0 0 "[ . 1 . 2]" 1
302 1 21 VAL H 1 22 ARG H . . 3.580 2.690 2.378 2.906 . 0 0 "[ . 1 . 2]" 1
303 1 21 VAL HA 1 21 VAL MG1 . . 3.330 2.827 2.365 3.159 . 0 0 "[ . 1 . 2]" 1
304 1 21 VAL HA 1 21 VAL QG . . 2.860 2.078 1.943 2.308 . 0 0 "[ . 1 . 2]" 1
305 1 21 VAL HA 1 21 VAL MG2 . . 3.330 2.196 1.961 3.220 . 0 0 "[ . 1 . 2]" 1
306 1 21 VAL HA 1 23 LEU H . . 4.670 3.951 3.523 4.563 . 0 0 "[ . 1 . 2]" 1
307 1 21 VAL HA 1 24 ILE H . . 4.090 3.229 2.981 3.539 . 0 0 "[ . 1 . 2]" 1
308 1 21 VAL HA 1 24 ILE HB . . 5.010 2.930 2.660 3.263 . 0 0 "[ . 1 . 2]" 1
309 1 21 VAL HA 1 24 ILE MD . . 5.500 4.499 4.050 5.105 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL HA 1 24 ILE MG . . 3.560 2.913 2.334 3.584 0.024 19 0 "[ . 1 . 2]" 1
311 1 21 VAL HA 1 25 ARG H . . 4.330 4.077 3.670 4.281 . 0 0 "[ . 1 . 2]" 1
312 1 21 VAL HA 1 25 ARG QG . . 4.430 4.264 3.661 5.064 0.634 20 1 "[ . 1 . +]" 1
313 1 21 VAL HA 1 33 PRO HB2 . . 5.090 4.339 3.531 4.923 . 0 0 "[ . 1 . 2]" 1
314 1 21 VAL HA 1 33 PRO QG . . 4.730 4.096 3.632 4.811 0.081 20 0 "[ . 1 . 2]" 1
315 1 21 VAL HB 1 22 ARG H . . 3.520 3.217 2.783 3.608 0.088 8 0 "[ . 1 . 2]" 1
316 1 21 VAL QG 1 22 ARG H . . 3.520 2.514 1.871 3.441 . 0 0 "[ . 1 . 2]" 1
317 1 21 VAL QG 1 22 ARG HA . . 3.960 2.966 2.675 3.527 . 0 0 "[ . 1 . 2]" 1
318 1 21 VAL QG 1 24 ILE H . . 5.300 4.126 3.693 4.454 . 0 0 "[ . 1 . 2]" 1
319 1 21 VAL QG 1 25 ARG H . . 4.570 3.664 3.431 4.372 . 0 0 "[ . 1 . 2]" 1
320 1 21 VAL QG 1 25 ARG QD . . 4.010 3.514 2.950 4.132 0.122 20 0 "[ . 1 . 2]" 1
321 1 21 VAL QG 1 25 ARG HE . . 5.130 4.627 2.538 5.469 0.339 8 0 "[ . 1 . 2]" 1
322 1 21 VAL QG 1 25 ARG QG . . 2.970 2.190 1.750 2.801 . 0 0 "[ . 1 . 2]" 1
323 1 21 VAL QG 1 33 PRO HB2 . . 4.070 2.530 1.891 3.069 . 0 0 "[ . 1 . 2]" 1
324 1 21 VAL QG 1 33 PRO QG . . 3.730 2.318 1.799 2.816 . 0 0 "[ . 1 . 2]" 1
325 1 21 VAL QG 1 100 TYR QE . . 5.000 3.760 3.151 4.208 . 0 0 "[ . 1 . 2]" 1
326 1 21 VAL QG 1 107 ASP HA . . 5.440 4.478 4.188 4.875 . 0 0 "[ . 1 . 2]" 1
327 1 21 VAL QG 1 107 ASP QB . . 4.830 3.715 3.258 4.052 . 0 0 "[ . 1 . 2]" 1
328 1 21 VAL QG 1 108 GLY H . . 4.290 4.207 3.979 4.342 0.052 18 0 "[ . 1 . 2]" 1
329 1 21 VAL QG 1 108 GLY QA . . 2.960 2.498 2.103 2.771 . 0 0 "[ . 1 . 2]" 1
330 1 21 VAL QG 1 109 PHE H . . 4.350 3.626 3.206 3.990 . 0 0 "[ . 1 . 2]" 1
331 1 21 VAL QG 1 109 PHE HA . . 3.640 2.819 2.173 3.229 . 0 0 "[ . 1 . 2]" 1
332 1 21 VAL QG 1 109 PHE QE . . 3.750 3.017 2.307 3.716 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL MG1 1 22 ARG H . . 4.370 2.671 1.874 3.889 . 0 0 "[ . 1 . 2]" 1
334 1 21 VAL MG1 1 33 PRO HG2 . . 6.120 3.720 2.850 4.485 . 0 0 "[ . 1 . 2]" 1
335 1 21 VAL MG1 1 33 PRO HG3 . . 6.120 3.608 2.759 4.400 . 0 0 "[ . 1 . 2]" 1
336 1 21 VAL MG1 1 108 GLY H . . 5.010 4.754 4.198 5.020 0.010 17 0 "[ . 1 . 2]" 1
337 1 21 VAL MG1 1 108 GLY HA2 . . 5.160 4.123 3.713 4.457 . 0 0 "[ . 1 . 2]" 1
338 1 21 VAL MG1 1 108 GLY HA3 . . 5.160 2.683 2.168 3.556 . 0 0 "[ . 1 . 2]" 1
339 1 21 VAL MG2 1 22 ARG H . . 4.370 4.013 1.876 4.200 . 0 0 "[ . 1 . 2]" 1
340 1 21 VAL MG2 1 33 PRO HG2 . . 6.120 2.822 1.971 4.413 . 0 0 "[ . 1 . 2]" 1
341 1 21 VAL MG2 1 33 PRO HG3 . . 6.120 2.983 2.031 4.549 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL MG2 1 108 GLY H . . 5.010 4.756 4.471 5.022 0.012 19 0 "[ . 1 . 2]" 1
343 1 21 VAL MG2 1 108 GLY HA2 . . 5.160 4.346 3.901 4.722 . 0 0 "[ . 1 . 2]" 1
344 1 21 VAL MG2 1 108 GLY HA3 . . 5.160 3.321 2.551 3.679 . 0 0 "[ . 1 . 2]" 1
345 1 22 ARG H 1 22 ARG HB2 . . 2.810 2.289 2.218 2.460 . 0 0 "[ . 1 . 2]" 1
346 1 22 ARG H 1 22 ARG HB3 . . 2.810 2.743 2.548 2.830 0.020 20 0 "[ . 1 . 2]" 1
347 1 22 ARG H 1 22 ARG QD . . 4.750 4.418 3.681 4.829 0.079 4 0 "[ . 1 . 2]" 1
348 1 22 ARG H 1 22 ARG HG2 . . 4.530 4.451 4.190 4.534 0.004 8 0 "[ . 1 . 2]" 1
349 1 22 ARG H 1 22 ARG HG3 . . 4.530 4.279 4.173 4.556 0.026 20 0 "[ . 1 . 2]" 1
350 1 22 ARG HA 1 22 ARG HD2 . . 5.040 4.380 2.110 4.772 . 0 0 "[ . 1 . 2]" 1
351 1 22 ARG HA 1 22 ARG QD . . 4.350 3.903 1.956 4.189 . 0 0 "[ . 1 . 2]" 1
352 1 22 ARG HA 1 22 ARG HD3 . . 5.040 4.433 2.315 4.838 . 0 0 "[ . 1 . 2]" 1
353 1 22 ARG HA 1 22 ARG HG2 . . 3.910 2.921 2.234 3.646 . 0 0 "[ . 1 . 2]" 1
354 1 22 ARG HA 1 22 ARG QG . . 3.240 2.403 2.209 2.924 . 0 0 "[ . 1 . 2]" 1
355 1 22 ARG HA 1 22 ARG HG3 . . 3.910 2.641 2.311 3.481 . 0 0 "[ . 1 . 2]" 1
356 1 22 ARG HA 1 25 ARG H . . 4.410 3.466 3.263 3.897 . 0 0 "[ . 1 . 2]" 1
357 1 22 ARG HA 1 25 ARG HB2 . . 3.010 2.204 2.006 2.683 . 0 0 "[ . 1 . 2]" 1
358 1 22 ARG HA 1 25 ARG QD . . 5.340 4.852 4.064 5.341 0.001 2 0 "[ . 1 . 2]" 1
359 1 22 ARG HA 1 26 GLU H . . 4.810 4.454 4.205 4.852 0.042 12 0 "[ . 1 . 2]" 1
360 1 22 ARG QB 1 22 ARG QD . . 2.940 2.195 2.082 2.363 . 0 0 "[ . 1 . 2]" 1
361 1 22 ARG QB 1 23 LEU H . . 2.970 2.655 2.305 3.027 0.057 13 0 "[ . 1 . 2]" 1
362 1 22 ARG HB2 1 22 ARG HD2 . . 3.870 2.931 2.224 3.762 . 0 0 "[ . 1 . 2]" 1
363 1 22 ARG HB2 1 22 ARG HD3 . . 3.870 3.154 2.458 3.854 . 0 0 "[ . 1 . 2]" 1
364 1 22 ARG HB3 1 22 ARG HD2 . . 3.870 3.046 2.361 3.842 . 0 0 "[ . 1 . 2]" 1
365 1 22 ARG HB3 1 22 ARG HD3 . . 3.870 2.776 2.232 3.677 . 0 0 "[ . 1 . 2]" 1
366 1 22 ARG QD 1 23 LEU H . . 5.340 4.662 3.644 5.307 . 0 0 "[ . 1 . 2]" 1
367 1 22 ARG QG 1 23 LEU H . . 4.010 3.966 3.707 4.394 0.384 10 0 "[ . 1 . 2]" 1
368 1 23 LEU H 1 23 LEU HB2 . . 2.810 2.233 2.021 2.314 . 0 0 "[ . 1 . 2]" 1
369 1 23 LEU H 1 23 LEU HB3 . . 3.690 3.521 3.412 3.600 . 0 0 "[ . 1 . 2]" 1
370 1 23 LEU H 1 23 LEU MD1 . . 4.140 4.052 3.946 4.323 0.183 12 0 "[ . 1 . 2]" 1
371 1 23 LEU H 1 23 LEU MD2 . . 3.710 2.421 1.955 2.748 . 0 0 "[ . 1 . 2]" 1
372 1 23 LEU H 1 23 LEU HG . . 3.200 2.801 2.523 3.614 0.414 12 0 "[ . 1 . 2]" 1
373 1 23 LEU H 1 24 ILE H . . 3.020 2.778 2.503 2.983 . 0 0 "[ . 1 . 2]" 1
374 1 23 LEU H 1 26 GLU QG . . 4.910 4.333 3.874 5.228 0.318 12 0 "[ . 1 . 2]" 1
375 1 23 LEU HA 1 23 LEU MD1 . . 3.510 3.334 2.690 3.500 . 0 0 "[ . 1 . 2]" 1
376 1 23 LEU HA 1 23 LEU MD2 . . 3.110 1.911 1.878 1.953 . 0 0 "[ . 1 . 2]" 1
377 1 23 LEU HA 1 23 LEU HG . . 3.750 3.517 3.451 3.671 . 0 0 "[ . 1 . 2]" 1
378 1 23 LEU HA 1 25 ARG H . . 4.230 3.868 3.739 4.113 . 0 0 "[ . 1 . 2]" 1
379 1 23 LEU HA 1 26 GLU H . . 3.390 3.205 2.955 3.418 0.028 8 0 "[ . 1 . 2]" 1
380 1 23 LEU HA 1 26 GLU HG2 . . 3.710 2.141 1.966 3.450 . 0 0 "[ . 1 . 2]" 1
381 1 23 LEU HA 1 26 GLU QG . . 3.200 2.072 1.935 2.859 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU HA 1 26 GLU HG3 . . 3.710 3.033 2.428 3.621 . 0 0 "[ . 1 . 2]" 1
383 1 23 LEU HA 1 27 GLN HE21 . . 4.590 3.688 3.351 4.308 . 0 0 "[ . 1 . 2]" 1
384 1 23 LEU HB2 1 23 LEU MD1 . . 3.180 2.805 2.718 3.092 . 0 0 "[ . 1 . 2]" 1
385 1 23 LEU HB2 1 23 LEU MD2 . . 3.280 2.982 2.640 3.076 . 0 0 "[ . 1 . 2]" 1
386 1 23 LEU HB2 1 24 ILE H . . 3.360 2.410 2.229 2.612 . 0 0 "[ . 1 . 2]" 1
387 1 23 LEU HB2 1 27 GLN HE22 . . 5.500 4.944 3.838 5.465 . 0 0 "[ . 1 . 2]" 1
388 1 23 LEU HB2 2 8 TRP HE1 . . 5.500 3.786 3.149 4.191 . 0 0 "[ . 1 . 2]" 1
389 1 23 LEU HB3 1 23 LEU MD1 . . 3.430 2.145 2.069 2.184 . 0 0 "[ . 1 . 2]" 1
390 1 23 LEU HB3 1 23 LEU MD2 . . 3.130 2.851 2.756 3.141 0.011 7 0 "[ . 1 . 2]" 1
391 1 23 LEU HB3 1 24 ILE H . . 3.510 3.291 2.861 3.535 0.025 4 0 "[ . 1 . 2]" 1
392 1 23 LEU MD1 1 24 ILE H . . 5.120 4.645 4.518 4.813 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU MD1 1 26 GLU HG2 . . 5.310 4.667 3.344 5.070 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU MD1 1 26 GLU HG3 . . 5.310 4.858 3.755 5.227 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU MD1 1 27 GLN HE21 . . 4.500 2.643 1.859 3.439 . 0 0 "[ . 1 . 2]" 1
396 1 23 LEU MD1 1 27 GLN HE22 . . 4.450 2.983 2.256 3.312 . 0 0 "[ . 1 . 2]" 1
397 1 23 LEU MD2 1 24 ILE H . . 4.510 4.315 4.184 4.372 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU MD2 1 26 GLU QG . . 3.530 2.963 2.557 3.371 . 0 0 "[ . 1 . 2]" 1
399 1 23 LEU MD2 1 27 GLN HE21 . . 4.280 3.722 3.150 4.270 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU MD2 1 27 GLN HE22 . . 5.180 4.796 4.383 4.916 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU MD2 1 27 GLN HG3 . . 4.160 4.128 3.825 4.405 0.245 12 0 "[ . 1 . 2]" 1
402 1 23 LEU HG 1 24 ILE H . . 4.600 4.429 4.245 4.789 0.189 18 0 "[ . 1 . 2]" 1
403 1 24 ILE H 1 24 ILE HB . . 3.710 2.004 1.979 2.036 . 0 0 "[ . 1 . 2]" 1
404 1 24 ILE H 1 24 ILE MD . . 4.020 2.792 2.236 3.138 . 0 0 "[ . 1 . 2]" 1
405 1 24 ILE H 1 24 ILE HG12 . . 4.540 4.263 3.985 4.438 . 0 0 "[ . 1 . 2]" 1
406 1 24 ILE H 1 24 ILE MG . . 3.460 3.110 2.903 3.437 . 0 0 "[ . 1 . 2]" 1
407 1 24 ILE H 1 25 ARG H . . 3.020 2.687 2.558 2.802 . 0 0 "[ . 1 . 2]" 1
408 1 24 ILE H 1 25 ARG HA . . 5.290 5.160 5.044 5.274 . 0 0 "[ . 1 . 2]" 1
409 1 24 ILE H 1 26 GLU H . . 4.400 4.235 4.126 4.434 0.034 12 0 "[ . 1 . 2]" 1
410 1 24 ILE H 2 8 TRP HE1 . . 5.240 3.954 3.749 4.221 . 0 0 "[ . 1 . 2]" 1
411 1 24 ILE HA 1 24 ILE MD . . 2.990 2.158 1.928 2.344 . 0 0 "[ . 1 . 2]" 1
412 1 24 ILE HA 1 24 ILE HG12 . . 3.970 3.511 3.495 3.529 . 0 0 "[ . 1 . 2]" 1
413 1 24 ILE HA 1 24 ILE HG13 . . 3.750 2.430 2.278 2.604 . 0 0 "[ . 1 . 2]" 1
414 1 24 ILE HA 1 24 ILE MG . . 3.490 3.015 2.805 3.103 . 0 0 "[ . 1 . 2]" 1
415 1 24 ILE HA 1 27 GLN H . . 4.060 3.053 2.884 3.288 . 0 0 "[ . 1 . 2]" 1
416 1 24 ILE HA 1 27 GLN HB2 . . 3.840 2.184 1.993 2.433 . 0 0 "[ . 1 . 2]" 1
417 1 24 ILE HA 1 27 GLN HB3 . . 3.850 3.752 3.492 4.045 0.195 9 0 "[ . 1 . 2]" 1
418 1 24 ILE HA 1 27 GLN HG3 . . 4.590 3.950 3.604 4.292 . 0 0 "[ . 1 . 2]" 1
419 1 24 ILE HA 1 28 HIS HD2 . . 4.430 2.737 2.044 3.436 . 0 0 "[ . 1 . 2]" 1
420 1 24 ILE HA 1 54 LEU MD1 . . 5.260 3.933 3.764 4.317 . 0 0 "[ . 1 . 2]" 1
421 1 24 ILE HA 1 54 LEU QD . . 4.530 3.590 3.355 3.773 . 0 0 "[ . 1 . 2]" 1
422 1 24 ILE HA 1 54 LEU MD2 . . 5.260 4.209 3.690 4.629 . 0 0 "[ . 1 . 2]" 1
423 1 24 ILE HA 2 8 TRP HE1 . . 5.500 5.072 4.703 5.438 . 0 0 "[ . 1 . 2]" 1
424 1 24 ILE HB 1 24 ILE MD . . 3.300 2.224 2.119 2.334 . 0 0 "[ . 1 . 2]" 1
425 1 24 ILE HB 1 25 ARG H . . 4.790 3.632 3.434 3.763 . 0 0 "[ . 1 . 2]" 1
426 1 24 ILE HB 1 25 ARG HB2 . . 5.500 5.511 5.463 5.592 0.092 13 0 "[ . 1 . 2]" 1
427 1 24 ILE HB 1 54 LEU QD . . 4.700 3.622 3.224 3.896 . 0 0 "[ . 1 . 2]" 1
428 1 24 ILE HB 2 8 TRP HE1 . . 4.490 3.644 3.184 4.182 . 0 0 "[ . 1 . 2]" 1
429 1 24 ILE HB 2 8 TRP HZ2 . . 4.550 2.472 2.156 2.787 . 0 0 "[ . 1 . 2]" 1
430 1 24 ILE MD 1 24 ILE MG . . 3.100 3.257 3.230 3.270 0.170 9 0 "[ . 1 . 2]" 1
431 1 24 ILE MD 1 25 ARG H . . 4.960 4.623 4.345 4.781 . 0 0 "[ . 1 . 2]" 1
432 1 24 ILE MD 1 27 GLN H . . 4.440 4.581 4.335 4.733 0.293 16 0 "[ . 1 . 2]" 1
433 1 24 ILE MD 1 27 GLN HB2 . . 3.820 3.037 2.717 3.152 . 0 0 "[ . 1 . 2]" 1
434 1 24 ILE MD 1 27 GLN HB3 . . 3.750 3.799 3.393 3.991 0.241 12 0 "[ . 1 . 2]" 1
435 1 24 ILE MD 1 27 GLN HG2 . . 5.500 5.333 5.104 5.499 . 0 0 "[ . 1 . 2]" 1
436 1 24 ILE MD 1 28 HIS H . . 4.470 3.906 3.341 4.754 0.284 12 0 "[ . 1 . 2]" 1
437 1 24 ILE MD 1 28 HIS HD2 . . 3.400 2.411 1.971 3.402 0.002 5 0 "[ . 1 . 2]" 1
438 1 24 ILE MD 1 31 LYS H . . 5.500 7.186 6.735 7.658 2.158 12 20 [*****-*****+********] 1
439 1 24 ILE MD 1 33 PRO HA . . 5.500 5.509 5.396 5.591 0.091 12 0 "[ . 1 . 2]" 1
440 1 24 ILE MD 1 33 PRO QD . . 5.500 6.220 6.077 6.381 0.881 19 20 [******-***********+*] 1
441 1 24 ILE MD 1 54 LEU MD1 . . 4.260 2.280 1.988 2.648 . 0 0 "[ . 1 . 2]" 1
442 1 24 ILE MD 1 54 LEU QD . . 3.370 2.106 1.852 2.532 . 0 0 "[ . 1 . 2]" 1
443 1 24 ILE MD 1 54 LEU MD2 . . 4.260 2.543 2.055 3.223 . 0 0 "[ . 1 . 2]" 1
444 1 24 ILE MD 1 54 LEU HG . . 4.850 3.504 3.162 3.794 . 0 0 "[ . 1 . 2]" 1
445 1 24 ILE MD 2 8 TRP H . . 5.460 2.105 2.018 2.236 . 0 0 "[ . 1 . 2]" 1
446 1 24 ILE MD 2 8 TRP HB2 . . 5.130 3.133 2.866 3.563 . 0 0 "[ . 1 . 2]" 1
447 1 24 ILE MD 2 8 TRP QB . . 4.400 3.037 2.803 3.413 . 0 0 "[ . 1 . 2]" 1
448 1 24 ILE MD 2 8 TRP HB3 . . 5.130 4.098 3.968 4.366 . 0 0 "[ . 1 . 2]" 1
449 1 24 ILE MD 2 8 TRP HD1 . . 4.360 2.754 2.666 2.928 . 0 0 "[ . 1 . 2]" 1
450 1 24 ILE MD 2 8 TRP HE1 . . 4.450 2.425 2.239 2.772 . 0 0 "[ . 1 . 2]" 1
451 1 24 ILE HG12 1 24 ILE MG . . 3.630 2.358 2.229 2.472 . 0 0 "[ . 1 . 2]" 1
452 1 24 ILE HG12 1 25 ARG H . . 5.390 5.580 5.482 5.661 0.271 18 0 "[ . 1 . 2]" 1
453 1 24 ILE HG12 1 54 LEU QD . . 4.250 1.870 1.743 2.028 . 0 0 "[ . 1 . 2]" 1
454 1 24 ILE HG12 2 8 TRP HE1 . . 4.780 4.346 3.951 4.806 0.026 16 0 "[ . 1 . 2]" 1
455 1 24 ILE HG13 1 24 ILE MG . . 2.440 2.468 2.341 2.606 0.166 16 0 "[ . 1 . 2]" 1
456 1 24 ILE HG13 1 54 LEU MD1 . . 3.990 2.276 1.960 2.748 . 0 0 "[ . 1 . 2]" 1
457 1 24 ILE HG13 1 54 LEU QD . . 3.050 1.969 1.751 2.238 . 0 0 "[ . 1 . 2]" 1
458 1 24 ILE HG13 1 54 LEU MD2 . . 3.990 2.275 1.959 2.871 . 0 0 "[ . 1 . 2]" 1
459 1 24 ILE MG 1 25 ARG H . . 3.300 2.713 2.332 3.293 . 0 0 "[ . 1 . 2]" 1
460 1 24 ILE MG 1 25 ARG HA . . 3.750 3.042 2.941 3.204 . 0 0 "[ . 1 . 2]" 1
461 1 24 ILE MG 1 25 ARG QD . . 4.710 3.807 3.234 4.648 . 0 0 "[ . 1 . 2]" 1
462 1 24 ILE MG 1 26 GLU H . . 5.150 4.565 4.378 4.836 . 0 0 "[ . 1 . 2]" 1
463 1 24 ILE MG 1 27 GLN H . . 5.140 4.501 4.332 4.788 . 0 0 "[ . 1 . 2]" 1
464 1 24 ILE MG 1 27 GLN HB2 . . 4.680 4.702 4.361 4.969 0.289 4 0 "[ . 1 . 2]" 1
465 1 24 ILE MG 1 28 HIS H . . 4.530 3.671 3.125 4.193 . 0 0 "[ . 1 . 2]" 1
466 1 24 ILE MG 1 28 HIS HB2 . . 4.830 3.125 2.166 3.630 . 0 0 "[ . 1 . 2]" 1
467 1 24 ILE MG 1 28 HIS HB3 . . 4.890 4.445 3.409 4.997 0.107 15 0 "[ . 1 . 2]" 1
468 1 24 ILE MG 1 28 HIS HD2 . . 5.060 4.605 4.139 5.041 . 0 0 "[ . 1 . 2]" 1
469 1 24 ILE MG 1 33 PRO HA . . 5.310 3.552 2.909 3.912 . 0 0 "[ . 1 . 2]" 1
470 1 24 ILE MG 1 33 PRO HB2 . . 4.290 3.206 2.813 3.488 . 0 0 "[ . 1 . 2]" 1
471 1 24 ILE MG 1 33 PRO HB3 . . 3.620 1.941 1.876 2.022 . 0 0 "[ . 1 . 2]" 1
472 1 24 ILE MG 1 33 PRO QD . . 3.960 3.191 2.911 3.504 . 0 0 "[ . 1 . 2]" 1
473 1 24 ILE MG 1 34 VAL H . . 5.500 5.082 4.590 5.367 . 0 0 "[ . 1 . 2]" 1
474 1 24 ILE MG 1 54 LEU QD . . 3.170 2.673 1.721 3.158 . 0 0 "[ . 1 . 2]" 1
475 1 24 ILE MG 1 109 PHE QD . . 5.500 5.247 4.905 5.617 0.117 10 0 "[ . 1 . 2]" 1
476 1 24 ILE MG 2 8 TRP HE3 . . 4.870 4.487 4.085 4.641 . 0 0 "[ . 1 . 2]" 1
477 1 24 ILE MG 2 8 TRP HZ2 . . 4.250 3.383 2.793 4.059 . 0 0 "[ . 1 . 2]" 1
478 1 25 ARG H 1 25 ARG HB2 . . 3.260 2.095 2.024 2.194 . 0 0 "[ . 1 . 2]" 1
479 1 25 ARG H 1 25 ARG HB3 . . 3.860 3.415 3.312 3.507 . 0 0 "[ . 1 . 2]" 1
480 1 25 ARG H 1 25 ARG QD . . 4.560 4.246 4.042 4.551 . 0 0 "[ . 1 . 2]" 1
481 1 25 ARG H 1 25 ARG HG2 . . 4.040 3.049 2.764 3.362 . 0 0 "[ . 1 . 2]" 1
482 1 25 ARG H 1 25 ARG QG . . 3.300 2.946 2.667 3.248 . 0 0 "[ . 1 . 2]" 1
483 1 25 ARG H 1 25 ARG HG3 . . 4.040 3.930 3.394 4.299 0.259 4 0 "[ . 1 . 2]" 1
484 1 25 ARG H 1 26 GLU H . . 3.310 2.473 2.368 2.590 . 0 0 "[ . 1 . 2]" 1
485 1 25 ARG H 1 26 GLU QB . . 4.900 4.719 4.438 4.871 . 0 0 "[ . 1 . 2]" 1
486 1 25 ARG H 1 26 GLU QG . . 5.160 3.938 3.691 4.359 . 0 0 "[ . 1 . 2]" 1
487 1 25 ARG H 1 27 GLN H . . 4.440 3.577 3.476 3.837 . 0 0 "[ . 1 . 2]" 1
488 1 25 ARG HA 1 25 ARG HD2 . . 4.150 2.595 1.929 3.909 . 0 0 "[ . 1 . 2]" 1
489 1 25 ARG HA 1 25 ARG QD . . 3.330 2.341 1.918 3.369 0.039 5 0 "[ . 1 . 2]" 1
490 1 25 ARG HA 1 25 ARG HD3 . . 4.150 3.323 2.056 4.127 . 0 0 "[ . 1 . 2]" 1
491 1 25 ARG HA 1 25 ARG HE . . 4.530 3.076 1.930 4.531 0.001 13 0 "[ . 1 . 2]" 1
492 1 25 ARG HA 1 25 ARG QG . . 3.470 2.480 2.177 2.653 . 0 0 "[ . 1 . 2]" 1
493 1 25 ARG HA 1 28 HIS H . . 4.110 4.059 3.374 4.327 0.217 6 0 "[ . 1 . 2]" 1
494 1 25 ARG HB2 1 25 ARG QD . . 3.740 3.475 3.204 3.573 . 0 0 "[ . 1 . 2]" 1
495 1 25 ARG HB2 1 26 GLU H . . 3.820 3.021 2.883 3.193 . 0 0 "[ . 1 . 2]" 1
496 1 25 ARG HB3 1 25 ARG QD . . 3.620 2.772 2.167 3.190 . 0 0 "[ . 1 . 2]" 1
497 1 25 ARG HB3 1 25 ARG HE . . 4.150 2.736 1.892 4.410 0.260 13 0 "[ . 1 . 2]" 1
498 1 25 ARG HB3 1 26 GLU H . . 3.860 3.462 3.256 3.729 . 0 0 "[ . 1 . 2]" 1
499 1 25 ARG QG 1 26 GLU H . . 4.630 4.484 4.316 4.592 . 0 0 "[ . 1 . 2]" 1
500 1 25 ARG HG2 1 26 GLU H . . 5.360 4.859 4.654 4.992 . 0 0 "[ . 1 . 2]" 1
501 1 25 ARG HG3 1 26 GLU H . . 5.360 5.266 5.089 5.374 0.014 6 0 "[ . 1 . 2]" 1
502 1 26 GLU H 1 26 GLU QB . . 2.940 2.669 2.435 2.828 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLU H 1 26 GLU HG2 . . 4.070 2.363 1.961 3.545 . 0 0 "[ . 1 . 2]" 1
504 1 26 GLU H 1 26 GLU QG . . 3.510 2.177 1.946 2.406 . 0 0 "[ . 1 . 2]" 1
505 1 26 GLU H 1 26 GLU HG3 . . 4.070 2.827 2.390 3.780 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLU H 1 27 GLN H . . 3.290 2.207 2.064 2.376 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLU HA 1 26 GLU QB . . 2.720 2.194 2.181 2.199 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLU HA 1 27 GLN H . . 3.590 3.399 3.347 3.582 . 0 0 "[ . 1 . 2]" 1
509 1 26 GLU HA 1 28 HIS H . . 4.720 4.969 4.031 5.280 0.560 6 3 "[- .+ 1 .* 2]" 1
510 1 26 GLU QB 1 26 GLU QG . . 2.430 2.089 2.046 2.108 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLU QB 1 27 GLN H . . 4.150 3.824 3.492 3.898 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLU QG 1 27 GLN H . . 3.220 2.700 1.928 3.004 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU QG 1 28 HIS H . . 5.310 4.689 4.184 4.933 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLU HG2 1 27 GLN H . . 3.770 3.531 2.828 4.074 0.304 9 0 "[ . 1 . 2]" 1
515 1 26 GLU HG3 1 27 GLN H . . 3.770 2.947 1.934 3.974 0.204 2 0 "[ . 1 . 2]" 1
516 1 27 GLN H 1 27 GLN HB2 . . 3.240 2.385 2.283 2.481 . 0 0 "[ . 1 . 2]" 1
517 1 27 GLN H 1 27 GLN HB3 . . 3.690 3.624 3.560 3.690 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLN H 1 27 GLN HG2 . . 3.680 3.721 3.449 3.826 0.146 10 0 "[ . 1 . 2]" 1
519 1 27 GLN H 1 27 GLN HG3 . . 3.330 2.941 2.444 3.239 . 0 0 "[ . 1 . 2]" 1
520 1 27 GLN H 1 28 HIS H . . 3.140 2.258 1.921 2.472 . 0 0 "[ . 1 . 2]" 1
521 1 27 GLN H 1 28 HIS HB2 . . 4.860 4.786 4.361 5.002 0.142 20 0 "[ . 1 . 2]" 1
522 1 27 GLN H 1 28 HIS HD2 . . 4.710 4.113 3.847 4.681 . 0 0 "[ . 1 . 2]" 1
523 1 27 GLN H 1 29 PRO HD3 . . 5.010 3.900 3.582 4.167 . 0 0 "[ . 1 . 2]" 1
524 1 27 GLN HA 1 27 GLN HE21 . . 5.500 5.024 4.831 5.182 . 0 0 "[ . 1 . 2]" 1
525 1 27 GLN HA 1 27 GLN HG2 . . 3.770 2.276 2.151 2.366 . 0 0 "[ . 1 . 2]" 1
526 1 27 GLN HA 1 27 GLN HG3 . . 3.260 3.164 3.046 3.264 0.004 9 0 "[ . 1 . 2]" 1
527 1 27 GLN HA 1 28 HIS HA . . 4.650 4.530 4.495 4.539 . 0 0 "[ . 1 . 2]" 1
528 1 27 GLN HA 1 29 PRO HD3 . . 4.730 3.730 3.577 3.926 . 0 0 "[ . 1 . 2]" 1
529 1 27 GLN HB2 1 28 HIS H . . 3.550 2.540 2.312 3.245 . 0 0 "[ . 1 . 2]" 1
530 1 27 GLN HB2 1 28 HIS HD2 . . 4.210 2.244 2.042 2.805 . 0 0 "[ . 1 . 2]" 1
531 1 27 GLN HB3 1 27 GLN HE22 . . 4.670 4.458 4.019 4.631 . 0 0 "[ . 1 . 2]" 1
532 1 27 GLN HB3 1 28 HIS H . . 4.140 3.439 3.077 4.140 0.000 17 0 "[ . 1 . 2]" 1
533 1 27 GLN HB3 1 28 HIS HD2 . . 3.960 2.238 1.992 2.523 . 0 0 "[ . 1 . 2]" 1
534 1 27 GLN HE22 1 27 GLN HG2 . . 4.100 3.892 3.630 4.135 0.035 17 0 "[ . 1 . 2]" 1
535 1 27 GLN HG2 1 28 HIS H . . 5.010 4.884 4.784 5.088 0.078 12 0 "[ . 1 . 2]" 1
536 1 27 GLN HG3 1 28 HIS H . . 4.860 4.423 4.238 4.570 . 0 0 "[ . 1 . 2]" 1
537 1 27 GLN HG3 1 28 HIS HD2 . . 4.980 4.464 4.253 4.849 . 0 0 "[ . 1 . 2]" 1
538 1 28 HIS H 1 28 HIS HB2 . . 3.560 2.636 2.458 2.997 . 0 0 "[ . 1 . 2]" 1
539 1 28 HIS H 1 28 HIS HB3 . . 4.000 3.782 3.694 3.988 . 0 0 "[ . 1 . 2]" 1
540 1 28 HIS H 1 28 HIS HD2 . . 4.220 2.826 2.496 3.808 . 0 0 "[ . 1 . 2]" 1
541 1 28 HIS H 1 29 PRO HA . . 4.670 4.486 4.048 4.593 . 0 0 "[ . 1 . 2]" 1
542 1 28 HIS H 1 29 PRO HD2 . . 4.580 4.328 3.740 4.460 . 0 0 "[ . 1 . 2]" 1
543 1 28 HIS H 1 29 PRO HD3 . . 4.030 3.216 2.453 3.396 . 0 0 "[ . 1 . 2]" 1
544 1 28 HIS H 1 29 PRO HG3 . . 5.500 5.169 4.337 5.369 . 0 0 "[ . 1 . 2]" 1
545 1 28 HIS HA 1 29 PRO HD2 . . 3.530 2.245 2.221 2.329 . 0 0 "[ . 1 . 2]" 1
546 1 28 HIS HA 1 29 PRO HD3 . . 3.570 2.463 2.412 2.621 . 0 0 "[ . 1 . 2]" 1
547 1 28 HIS HA 1 29 PRO HG2 . . 4.730 4.477 4.450 4.567 . 0 0 "[ . 1 . 2]" 1
548 1 28 HIS HA 1 29 PRO HG3 . . 4.710 4.588 4.546 4.723 0.013 17 0 "[ . 1 . 2]" 1
549 1 28 HIS HA 1 30 THR H . . 4.680 3.343 3.226 3.480 . 0 0 "[ . 1 . 2]" 1
550 1 28 HIS HB2 1 31 LYS H . . 4.520 4.474 4.386 4.590 0.070 20 0 "[ . 1 . 2]" 1
551 1 28 HIS HB2 1 31 LYS HB2 . . 5.300 2.769 2.515 3.201 . 0 0 "[ . 1 . 2]" 1
552 1 28 HIS HB2 1 31 LYS QB . . 4.570 2.731 2.481 3.154 . 0 0 "[ . 1 . 2]" 1
553 1 28 HIS HB2 1 31 LYS HB3 . . 5.300 4.169 3.806 4.765 . 0 0 "[ . 1 . 2]" 1
554 1 28 HIS HB2 1 31 LYS HG2 . . 5.140 4.774 4.438 5.030 . 0 0 "[ . 1 . 2]" 1
555 1 28 HIS HB2 1 31 LYS QG . . 4.430 3.612 3.508 3.761 . 0 0 "[ . 1 . 2]" 1
556 1 28 HIS HB2 1 31 LYS HG3 . . 5.140 3.743 3.638 3.884 . 0 0 "[ . 1 . 2]" 1
557 1 28 HIS HB2 1 54 LEU QD . . 4.240 2.239 2.065 2.479 . 0 0 "[ . 1 . 2]" 1
558 1 28 HIS HB2 1 54 LEU HG . . 5.500 5.042 4.719 5.239 . 0 0 "[ . 1 . 2]" 1
559 1 28 HIS HB3 1 31 LYS H . . 4.120 3.773 3.406 4.028 . 0 0 "[ . 1 . 2]" 1
560 1 28 HIS HB3 1 31 LYS HB2 . . 5.180 2.007 1.974 2.166 . 0 0 "[ . 1 . 2]" 1
561 1 28 HIS HB3 1 31 LYS QB . . 4.430 1.993 1.962 2.151 . 0 0 "[ . 1 . 2]" 1
562 1 28 HIS HB3 1 31 LYS HB3 . . 5.180 3.409 3.317 3.677 . 0 0 "[ . 1 . 2]" 1
563 1 28 HIS HB3 1 31 LYS HD2 . . 4.880 4.427 4.215 4.670 . 0 0 "[ . 1 . 2]" 1
564 1 28 HIS HB3 1 31 LYS HG2 . . 4.930 3.149 2.861 3.322 . 0 0 "[ . 1 . 2]" 1
565 1 28 HIS HB3 1 31 LYS QG . . 4.230 2.057 1.964 2.207 . 0 0 "[ . 1 . 2]" 1
566 1 28 HIS HB3 1 31 LYS HG3 . . 4.930 2.088 1.994 2.270 . 0 0 "[ . 1 . 2]" 1
567 1 28 HIS HB3 1 54 LEU QD . . 4.440 2.600 2.448 2.836 . 0 0 "[ . 1 . 2]" 1
568 1 28 HIS HB3 1 54 LEU HG . . 5.500 5.519 5.504 5.545 0.045 8 0 "[ . 1 . 2]" 1
569 1 28 HIS HD2 1 54 LEU MD1 . . 4.990 2.911 2.328 3.259 . 0 0 "[ . 1 . 2]" 1
570 1 28 HIS HD2 1 54 LEU QD . . 4.080 2.857 2.313 3.158 . 0 0 "[ . 1 . 2]" 1
571 1 28 HIS HD2 1 54 LEU MD2 . . 4.990 4.317 3.791 4.756 . 0 0 "[ . 1 . 2]" 1
572 1 29 PRO HA 1 31 LYS H . . 3.900 3.378 3.296 3.459 . 0 0 "[ . 1 . 2]" 1
573 1 29 PRO HB2 1 30 THR MG . . 3.760 3.181 2.941 3.381 . 0 0 "[ . 1 . 2]" 1
574 1 29 PRO HB2 1 31 LYS H . . 5.290 4.892 4.873 4.915 . 0 0 "[ . 1 . 2]" 1
575 1 29 PRO HB3 1 30 THR H . . 4.690 4.310 4.237 4.370 . 0 0 "[ . 1 . 2]" 1
576 1 29 PRO HB3 1 30 THR MG . . 5.090 4.517 4.303 4.733 . 0 0 "[ . 1 . 2]" 1
577 1 29 PRO HD2 1 30 THR H . . 4.410 2.294 2.280 2.321 . 0 0 "[ . 1 . 2]" 1
578 1 29 PRO HD2 1 30 THR MG . . 4.430 3.202 2.738 3.788 . 0 0 "[ . 1 . 2]" 1
579 1 29 PRO HD2 1 31 LYS H . . 4.700 4.639 4.447 4.737 0.037 20 0 "[ . 1 . 2]" 1
580 1 29 PRO HD3 1 30 THR H . . 4.870 3.657 3.655 3.664 . 0 0 "[ . 1 . 2]" 1
581 1 29 PRO HD3 1 31 LYS H . . 5.500 5.395 5.197 5.511 0.011 13 0 "[ . 1 . 2]" 1
582 1 29 PRO HG2 1 30 THR H . . 4.610 3.013 2.857 3.149 . 0 0 "[ . 1 . 2]" 1
583 1 29 PRO HG2 1 30 THR MG . . 3.560 2.697 2.476 3.069 . 0 0 "[ . 1 . 2]" 1
584 1 29 PRO HG2 1 31 LYS H . . 5.500 5.485 5.396 5.536 0.036 20 0 "[ . 1 . 2]" 1
585 1 29 PRO HG3 1 30 THR H . . 4.760 4.199 4.100 4.287 . 0 0 "[ . 1 . 2]" 1
586 1 29 PRO HG3 1 30 THR MG . . 4.760 4.199 3.969 4.540 . 0 0 "[ . 1 . 2]" 1
587 1 30 THR H 1 30 THR MG . . 3.360 2.281 1.949 2.688 . 0 0 "[ . 1 . 2]" 1
588 1 30 THR H 1 31 LYS H . . 3.060 2.850 2.635 3.016 . 0 0 "[ . 1 . 2]" 1
589 1 30 THR HA 1 30 THR MG . . 2.900 2.483 2.275 2.608 . 0 0 "[ . 1 . 2]" 1
590 1 30 THR MG 1 31 LYS H . . 4.540 4.266 4.130 4.378 . 0 0 "[ . 1 . 2]" 1
591 1 30 THR MG 1 57 ASP H . . 5.500 5.847 5.358 6.302 0.802 11 4 "[ . * *+ . -2]" 1
592 1 31 LYS H 1 31 LYS HB2 . . 3.790 2.689 2.623 2.741 . 0 0 "[ . 1 . 2]" 1
593 1 31 LYS H 1 31 LYS QB . . 3.210 2.637 2.577 2.684 . 0 0 "[ . 1 . 2]" 1
594 1 31 LYS H 1 31 LYS HB3 . . 3.790 3.804 3.765 3.838 0.048 16 0 "[ . 1 . 2]" 1
595 1 31 LYS H 1 31 LYS HD2 . . 5.260 5.091 4.850 5.270 0.010 19 0 "[ . 1 . 2]" 1
596 1 31 LYS H 1 31 LYS HD3 . . 4.880 4.856 4.453 5.249 0.369 4 0 "[ . 1 . 2]" 1
597 1 31 LYS H 1 31 LYS QG . . 3.380 3.024 2.661 3.227 . 0 0 "[ . 1 . 2]" 1
598 1 31 LYS H 1 32 ILE H . . 4.710 4.424 4.375 4.472 . 0 0 "[ . 1 . 2]" 1
599 1 31 LYS H 1 32 ILE HA . . 5.020 4.684 4.625 4.767 . 0 0 "[ . 1 . 2]" 1
600 1 31 LYS H 1 32 ILE MD . . 5.500 4.633 4.382 4.929 . 0 0 "[ . 1 . 2]" 1
601 1 31 LYS H 1 54 LEU QD . . 5.440 4.776 4.376 5.133 . 0 0 "[ . 1 . 2]" 1
602 1 31 LYS H 1 57 ASP H . . 4.740 5.151 4.704 5.355 0.615 11 8 "[* *. * 1+ *** -]" 1
603 1 31 LYS H 1 57 ASP HB3 . . 4.630 4.488 4.419 4.649 0.019 8 0 "[ . 1 . 2]" 1
604 1 31 LYS HA 1 31 LYS HD2 . . 4.580 3.002 2.569 3.405 . 0 0 "[ . 1 . 2]" 1
605 1 31 LYS HA 1 31 LYS HD3 . . 4.370 2.768 2.416 3.278 . 0 0 "[ . 1 . 2]" 1
606 1 31 LYS HA 1 32 ILE H . . 3.470 2.366 2.287 2.529 . 0 0 "[ . 1 . 2]" 1
607 1 31 LYS HA 1 56 PRO HA . . 4.200 3.134 2.803 3.341 . 0 0 "[ . 1 . 2]" 1
608 1 31 LYS HA 1 57 ASP H . . 4.090 2.864 2.378 3.216 . 0 0 "[ . 1 . 2]" 1
609 1 31 LYS QB 1 31 LYS HD2 . . 3.470 2.090 1.962 2.224 . 0 0 "[ . 1 . 2]" 1
610 1 31 LYS QB 1 32 ILE H . . 3.660 2.711 2.375 2.906 . 0 0 "[ . 1 . 2]" 1
611 1 31 LYS QB 1 54 LEU QB . . 5.050 2.499 2.129 2.771 . 0 0 "[ . 1 . 2]" 1
612 1 31 LYS QB 1 54 LEU QD . . 3.460 2.527 1.998 3.074 . 0 0 "[ . 1 . 2]" 1
613 1 31 LYS QB 1 55 VAL H . . 5.340 3.526 3.109 3.881 . 0 0 "[ . 1 . 2]" 1
614 1 31 LYS HD2 1 32 ILE H . . 4.180 3.712 3.345 3.982 . 0 0 "[ . 1 . 2]" 1
615 1 31 LYS HD2 1 54 LEU HB2 . . 4.970 4.219 3.416 4.511 . 0 0 "[ . 1 . 2]" 1
616 1 31 LYS HD2 1 54 LEU QB . . 4.150 2.839 2.200 3.378 . 0 0 "[ . 1 . 2]" 1
617 1 31 LYS HD2 1 54 LEU HB3 . . 4.970 2.892 2.222 3.491 . 0 0 "[ . 1 . 2]" 1
618 1 31 LYS HD2 1 54 LEU QD . . 4.620 3.850 3.152 4.441 . 0 0 "[ . 1 . 2]" 1
619 1 31 LYS HD2 1 55 VAL H . . 5.500 4.059 3.337 4.664 . 0 0 "[ . 1 . 2]" 1
620 1 31 LYS HD2 1 56 PRO HA . . 4.760 2.894 2.372 3.479 . 0 0 "[ . 1 . 2]" 1
621 1 31 LYS HD2 1 56 PRO HB3 . . 5.100 4.157 3.612 4.727 . 0 0 "[ . 1 . 2]" 1
622 1 31 LYS HD2 1 57 ASP H . . 5.440 4.404 3.781 5.056 . 0 0 "[ . 1 . 2]" 1
623 1 31 LYS HD3 1 32 ILE H . . 4.320 4.332 3.939 4.810 0.490 4 0 "[ . 1 . 2]" 1
624 1 31 LYS HD3 1 54 LEU QD . . 5.440 4.876 4.373 5.374 . 0 0 "[ . 1 . 2]" 1
625 1 31 LYS HD3 1 56 PRO HA . . 4.540 2.069 1.994 2.478 . 0 0 "[ . 1 . 2]" 1
626 1 31 LYS HD3 1 56 PRO HB3 . . 4.390 3.263 2.767 3.541 . 0 0 "[ . 1 . 2]" 1
627 1 31 LYS HD3 1 57 ASP H . . 4.850 3.268 2.660 3.828 . 0 0 "[ . 1 . 2]" 1
628 1 31 LYS QE 1 31 LYS HG2 . . 3.290 2.897 2.699 3.172 . 0 0 "[ . 1 . 2]" 1
629 1 31 LYS QE 1 31 LYS HG3 . . 3.290 2.268 1.959 2.814 . 0 0 "[ . 1 . 2]" 1
630 1 31 LYS QG 1 32 ILE H . . 4.430 4.355 4.255 4.472 0.042 2 0 "[ . 1 . 2]" 1
631 1 31 LYS QG 1 56 PRO HA . . 4.300 3.814 3.404 3.998 . 0 0 "[ . 1 . 2]" 1
632 1 31 LYS QG 1 57 ASP H . . 5.340 4.111 3.693 4.458 . 0 0 "[ . 1 . 2]" 1
633 1 31 LYS HG2 1 32 ILE H . . 5.050 4.687 4.526 4.861 . 0 0 "[ . 1 . 2]" 1
634 1 31 LYS HG2 1 56 PRO HA . . 5.020 3.991 3.507 4.246 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS HG3 1 32 ILE H . . 5.050 5.179 5.051 5.229 0.179 1 0 "[ . 1 . 2]" 1
636 1 31 LYS HG3 1 56 PRO HA . . 5.020 4.877 4.602 5.159 0.139 13 0 "[ . 1 . 2]" 1
637 1 32 ILE H 1 32 ILE HB . . 3.320 2.479 2.353 2.635 . 0 0 "[ . 1 . 2]" 1
638 1 32 ILE H 1 32 ILE MD . . 4.450 3.746 3.563 3.878 . 0 0 "[ . 1 . 2]" 1
639 1 32 ILE H 1 32 ILE HG12 . . 4.340 2.564 2.380 2.737 . 0 0 "[ . 1 . 2]" 1
640 1 32 ILE H 1 32 ILE QG . . 3.610 2.526 2.353 2.691 . 0 0 "[ . 1 . 2]" 1
641 1 32 ILE H 1 32 ILE HG13 . . 4.340 3.820 3.682 3.996 . 0 0 "[ . 1 . 2]" 1
642 1 32 ILE H 1 32 ILE MG . . 4.060 3.771 3.705 3.846 . 0 0 "[ . 1 . 2]" 1
643 1 32 ILE H 1 33 PRO QD . . 5.160 4.066 4.015 4.128 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE H 1 34 VAL QG . . 4.800 4.535 4.317 4.655 . 0 0 "[ . 1 . 2]" 1
645 1 32 ILE H 1 55 VAL H . . 4.260 3.070 2.818 3.197 . 0 0 "[ . 1 . 2]" 1
646 1 32 ILE H 1 55 VAL HB . . 4.330 3.771 3.043 4.908 0.578 16 5 "[ *- * 1 .+* 2]" 1
647 1 32 ILE H 1 55 VAL QG . . 4.050 3.304 1.992 3.933 . 0 0 "[ . 1 . 2]" 1
648 1 32 ILE H 1 56 PRO HA . . 4.770 4.074 4.002 4.174 . 0 0 "[ . 1 . 2]" 1
649 1 32 ILE H 1 57 ASP H . . 4.530 4.212 3.959 4.439 . 0 0 "[ . 1 . 2]" 1
650 1 32 ILE H 1 57 ASP HA . . 5.090 4.707 4.564 5.000 . 0 0 "[ . 1 . 2]" 1
651 1 32 ILE H 1 57 ASP HB2 . . 5.500 5.503 4.432 5.604 0.104 11 0 "[ . 1 . 2]" 1
652 1 32 ILE H 1 57 ASP HB3 . . 4.800 4.040 3.823 4.820 0.020 8 0 "[ . 1 . 2]" 1
653 1 32 ILE HA 1 32 ILE MD . . 3.100 1.997 1.924 2.126 . 0 0 "[ . 1 . 2]" 1
654 1 32 ILE HA 1 32 ILE MG . . 3.450 2.379 2.287 2.497 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE HA 1 33 PRO QD . . 3.380 1.850 1.838 1.865 . 0 0 "[ . 1 . 2]" 1
656 1 32 ILE HA 1 33 PRO HG2 . . 4.490 4.349 4.336 4.369 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE HA 1 33 PRO QG . . 3.880 3.810 3.806 3.817 . 0 0 "[ . 1 . 2]" 1
658 1 32 ILE HA 1 33 PRO HG3 . . 4.490 4.212 4.190 4.238 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE HA 1 54 LEU QD . . 5.320 4.891 4.285 5.298 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE HB 1 32 ILE MD . . 3.650 3.203 3.192 3.214 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE HB 1 55 VAL H . . 5.030 3.757 3.491 3.985 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE HB 1 55 VAL QG . . 4.000 2.781 1.801 3.318 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE HB 1 57 ASP HA . . 4.480 4.591 4.375 4.770 0.290 4 0 "[ . 1 . 2]" 1
664 1 32 ILE HB 1 96 ILE HG12 . . 4.010 2.760 2.555 3.071 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE MD 1 33 PRO QD . . 3.770 2.785 2.584 2.933 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE MD 1 57 ASP H . . 5.330 5.079 4.699 5.252 . 0 0 "[ . 1 . 2]" 1
667 1 32 ILE MD 1 57 ASP HA . . 4.170 4.120 3.785 4.211 0.041 18 0 "[ . 1 . 2]" 1
668 1 32 ILE MD 1 57 ASP HB2 . . 3.740 3.370 2.317 3.803 0.063 19 0 "[ . 1 . 2]" 1
669 1 32 ILE MD 1 57 ASP HB3 . . 3.800 3.178 3.001 3.704 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE MD 1 96 ILE MG . . 4.230 3.803 3.451 4.019 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE MD 1 97 SER H . . 5.010 4.426 4.178 4.680 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE MD 1 97 SER HA . . 3.290 2.080 1.907 2.411 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE MD 1 100 TYR H . . 4.420 4.368 4.189 4.441 0.021 12 0 "[ . 1 . 2]" 1
674 1 32 ILE MD 1 100 TYR HB2 . . 3.860 3.594 3.127 3.886 0.026 11 0 "[ . 1 . 2]" 1
675 1 32 ILE MD 1 100 TYR HB3 . . 3.770 2.788 2.587 2.939 . 0 0 "[ . 1 . 2]" 1
676 1 32 ILE MD 1 100 TYR QD . . 3.930 2.953 2.748 3.172 . 0 0 "[ . 1 . 2]" 1
677 1 32 ILE MD 1 100 TYR QE . . 4.610 3.649 3.435 3.961 . 0 0 "[ . 1 . 2]" 1
678 1 32 ILE MD 1 101 GLU H . . 4.630 4.318 4.145 4.586 . 0 0 "[ . 1 . 2]" 1
679 1 32 ILE QG 1 32 ILE MG . . 3.000 2.404 2.317 2.456 . 0 0 "[ . 1 . 2]" 1
680 1 32 ILE QG 1 57 ASP H . . 4.580 3.858 3.502 4.047 . 0 0 "[ . 1 . 2]" 1
681 1 32 ILE QG 1 57 ASP HB2 . . 4.240 3.221 2.181 3.475 . 0 0 "[ . 1 . 2]" 1
682 1 32 ILE QG 1 58 HIS H . . 5.340 5.205 5.040 5.319 . 0 0 "[ . 1 . 2]" 1
683 1 32 ILE QG 1 96 ILE MG . . 3.230 2.313 1.943 2.563 . 0 0 "[ . 1 . 2]" 1
684 1 32 ILE QG 1 97 SER QB . . 4.660 3.102 2.839 3.377 . 0 0 "[ . 1 . 2]" 1
685 1 32 ILE HG12 1 32 ILE MG . . 3.540 3.217 3.202 3.232 . 0 0 "[ . 1 . 2]" 1
686 1 32 ILE HG12 1 57 ASP HA . . 3.650 3.233 3.015 3.394 . 0 0 "[ . 1 . 2]" 1
687 1 32 ILE HG12 1 57 ASP HB2 . . 5.030 3.447 2.267 3.678 . 0 0 "[ . 1 . 2]" 1
688 1 32 ILE HG12 1 57 ASP HB3 . . 4.630 2.508 2.085 3.415 . 0 0 "[ . 1 . 2]" 1
689 1 32 ILE HG13 1 32 ILE MG . . 3.540 2.483 2.375 2.551 . 0 0 "[ . 1 . 2]" 1
690 1 32 ILE HG13 1 57 ASP HA . . 3.650 3.304 2.864 3.625 . 0 0 "[ . 1 . 2]" 1
691 1 32 ILE HG13 1 57 ASP HB2 . . 5.030 3.881 2.834 4.424 . 0 0 "[ . 1 . 2]" 1
692 1 32 ILE HG13 1 57 ASP HB3 . . 4.630 3.689 3.259 4.432 . 0 0 "[ . 1 . 2]" 1
693 1 32 ILE MG 1 33 PRO HA . . 4.740 4.190 4.064 4.302 . 0 0 "[ . 1 . 2]" 1
694 1 32 ILE MG 1 33 PRO QD . . 3.510 2.320 2.047 2.694 . 0 0 "[ . 1 . 2]" 1
695 1 32 ILE MG 1 33 PRO QG . . 4.410 3.924 3.717 4.187 . 0 0 "[ . 1 . 2]" 1
696 1 32 ILE MG 1 34 VAL H . . 5.450 4.877 4.535 5.044 . 0 0 "[ . 1 . 2]" 1
697 1 32 ILE MG 1 34 VAL HA . . 4.750 4.589 4.422 4.728 . 0 0 "[ . 1 . 2]" 1
698 1 32 ILE MG 1 34 VAL HB . . 5.500 4.764 4.394 4.961 . 0 0 "[ . 1 . 2]" 1
699 1 32 ILE MG 1 34 VAL QG . . 3.060 2.419 2.058 2.601 . 0 0 "[ . 1 . 2]" 1
700 1 32 ILE MG 1 55 VAL H . . 5.230 4.502 4.120 4.706 . 0 0 "[ . 1 . 2]" 1
701 1 32 ILE MG 1 55 VAL HB . . 5.500 4.078 3.283 5.299 . 0 0 "[ . 1 . 2]" 1
702 1 32 ILE MG 1 96 ILE MD . . 4.540 3.790 3.457 4.263 . 0 0 "[ . 1 . 2]" 1
703 1 32 ILE MG 1 96 ILE HG12 . . 3.540 2.826 2.354 3.347 . 0 0 "[ . 1 . 2]" 1
704 1 32 ILE MG 1 96 ILE HG13 . . 3.850 2.952 2.463 3.563 . 0 0 "[ . 1 . 2]" 1
705 1 32 ILE MG 1 96 ILE MG . . 3.500 3.291 2.387 3.622 0.122 11 0 "[ . 1 . 2]" 1
706 1 32 ILE MG 1 100 TYR H . . 4.190 3.687 3.415 3.935 . 0 0 "[ . 1 . 2]" 1
707 1 32 ILE MG 1 100 TYR HA . . 4.150 3.844 3.612 3.942 . 0 0 "[ . 1 . 2]" 1
708 1 32 ILE MG 1 100 TYR HB2 . . 3.720 1.964 1.843 2.059 . 0 0 "[ . 1 . 2]" 1
709 1 32 ILE MG 1 100 TYR HB3 . . 3.730 2.275 1.974 2.922 . 0 0 "[ . 1 . 2]" 1
710 1 32 ILE MG 1 100 TYR QD . . 3.610 2.181 1.849 2.410 . 0 0 "[ . 1 . 2]" 1
711 1 32 ILE MG 1 100 TYR QE . . 4.120 3.218 2.939 3.531 . 0 0 "[ . 1 . 2]" 1
712 1 32 ILE MG 1 101 GLU H . . 4.610 4.434 4.062 4.898 0.288 6 0 "[ . 1 . 2]" 1
713 1 32 ILE MG 1 110 LEU H . . 4.930 4.733 4.408 4.946 0.016 18 0 "[ . 1 . 2]" 1
714 1 32 ILE MG 1 110 LEU QB . . 4.160 3.646 3.402 3.790 . 0 0 "[ . 1 . 2]" 1
715 1 32 ILE MG 1 110 LEU QD . . 3.140 3.029 2.485 3.482 0.342 10 0 "[ . 1 . 2]" 1
716 1 32 ILE MG 1 110 LEU HG . . 5.500 3.435 3.031 3.859 . 0 0 "[ . 1 . 2]" 1
717 1 33 PRO HA 1 34 VAL H . . 2.920 2.189 2.156 2.215 . 0 0 "[ . 1 . 2]" 1
718 1 33 PRO HA 1 34 VAL QG . . 3.360 3.087 3.012 3.223 . 0 0 "[ . 1 . 2]" 1
719 1 33 PRO HA 1 53 PHE H . . 4.980 4.514 4.224 4.730 . 0 0 "[ . 1 . 2]" 1
720 1 33 PRO HA 1 54 LEU HA . . 4.330 3.456 3.201 3.786 . 0 0 "[ . 1 . 2]" 1
721 1 33 PRO HA 1 54 LEU QD . . 3.540 2.840 2.557 3.159 . 0 0 "[ . 1 . 2]" 1
722 1 33 PRO HA 1 55 VAL QG . . 5.440 4.115 3.902 4.395 . 0 0 "[ . 1 . 2]" 1
723 1 33 PRO HB2 1 34 VAL H . . 4.220 3.480 3.359 3.674 . 0 0 "[ . 1 . 2]" 1
724 1 33 PRO HB2 1 54 LEU QD . . 4.570 4.367 4.073 4.644 0.074 3 0 "[ . 1 . 2]" 1
725 1 33 PRO HB2 1 109 PHE QD . . 4.260 2.873 2.527 3.244 . 0 0 "[ . 1 . 2]" 1
726 1 33 PRO HB3 1 34 VAL H . . 4.190 3.850 3.766 3.984 . 0 0 "[ . 1 . 2]" 1
727 1 33 PRO HB3 1 54 LEU QD . . 3.960 3.187 2.823 3.500 . 0 0 "[ . 1 . 2]" 1
728 1 33 PRO HB3 1 109 PHE QD . . 4.940 4.439 4.115 4.670 . 0 0 "[ . 1 . 2]" 1
729 1 33 PRO HB3 2 8 TRP HE3 . . 4.720 4.114 3.863 4.460 . 0 0 "[ . 1 . 2]" 1
730 1 33 PRO QD 1 34 VAL QG . . 5.280 4.013 3.937 4.074 . 0 0 "[ . 1 . 2]" 1
731 1 33 PRO QD 1 100 TYR QE . . 4.770 2.480 2.151 2.833 . 0 0 "[ . 1 . 2]" 1
732 1 33 PRO QG 1 100 TYR QE . . 4.510 2.270 2.027 2.556 . 0 0 "[ . 1 . 2]" 1
733 1 33 PRO QG 1 109 PHE HA . . 5.010 3.325 2.890 3.610 . 0 0 "[ . 1 . 2]" 1
734 1 34 VAL H 1 34 VAL HB . . 3.700 3.907 3.845 3.931 0.231 18 0 "[ . 1 . 2]" 1
735 1 34 VAL H 1 34 VAL QG . . 3.170 2.308 2.192 2.360 . 0 0 "[ . 1 . 2]" 1
736 1 34 VAL H 1 35 ILE H . . 4.950 4.398 4.354 4.441 . 0 0 "[ . 1 . 2]" 1
737 1 34 VAL H 1 35 ILE HA . . 4.880 4.631 4.580 4.716 . 0 0 "[ . 1 . 2]" 1
738 1 34 VAL H 1 35 ILE MD . . 4.990 4.780 3.912 5.515 0.525 10 1 "[ . + . 2]" 1
739 1 34 VAL H 1 35 ILE QG . . 5.500 4.029 3.745 4.392 . 0 0 "[ . 1 . 2]" 1
740 1 34 VAL H 1 52 LYS HA . . 4.610 4.348 4.105 4.633 0.023 12 0 "[ . 1 . 2]" 1
741 1 34 VAL H 1 52 LYS QG . . 5.340 5.701 5.410 6.113 0.773 5 4 "[ + 1-* . *2]" 1
742 1 34 VAL H 1 53 PHE H . . 4.290 3.004 2.726 3.134 . 0 0 "[ . 1 . 2]" 1
743 1 34 VAL H 1 53 PHE QB . . 4.220 3.897 3.680 4.150 . 0 0 "[ . 1 . 2]" 1
744 1 34 VAL H 1 53 PHE QD . . 4.810 4.878 4.628 5.078 0.268 7 0 "[ . 1 . 2]" 1
745 1 34 VAL H 1 54 LEU H . . 5.500 5.745 5.333 6.027 0.527 16 2 "[ . 1 .+ - 2]" 1
746 1 34 VAL H 1 54 LEU HA . . 4.400 4.306 3.760 4.682 0.282 3 0 "[ . 1 . 2]" 1
747 1 34 VAL H 1 54 LEU QD . . 4.190 3.811 3.655 3.954 . 0 0 "[ . 1 . 2]" 1
748 1 34 VAL H 1 55 VAL H . . 4.800 4.737 4.221 5.098 0.298 2 0 "[ . 1 . 2]" 1
749 1 34 VAL H 1 109 PHE QD . . 5.150 3.808 3.458 4.062 . 0 0 "[ . 1 . 2]" 1
750 1 34 VAL H 1 110 LEU H . . 5.330 4.436 4.233 4.635 . 0 0 "[ . 1 . 2]" 1
751 1 34 VAL HA 1 34 VAL QG . . 3.260 2.422 2.324 2.483 . 0 0 "[ . 1 . 2]" 1
752 1 34 VAL HA 1 35 ILE H . . 3.080 2.410 2.325 2.459 . 0 0 "[ . 1 . 2]" 1
753 1 34 VAL HA 1 55 VAL QG . . 5.440 4.899 4.555 5.180 . 0 0 "[ . 1 . 2]" 1
754 1 34 VAL HA 1 110 LEU H . . 3.940 2.181 1.965 2.426 . 0 0 "[ . 1 . 2]" 1
755 1 34 VAL HA 1 110 LEU QB . . 4.240 2.007 1.983 2.060 . 0 0 "[ . 1 . 2]" 1
756 1 34 VAL HA 1 111 TYR HA . . 5.500 5.083 4.744 5.328 . 0 0 "[ . 1 . 2]" 1
757 1 34 VAL HA 1 112 MET ME . . 4.560 3.613 3.483 3.837 . 0 0 "[ . 1 . 2]" 1
758 1 34 VAL HB 1 35 ILE H . . 4.220 2.732 2.615 2.930 . 0 0 "[ . 1 . 2]" 1
759 1 34 VAL HB 1 35 ILE HA . . 5.500 4.796 4.690 4.899 . 0 0 "[ . 1 . 2]" 1
760 1 34 VAL HB 1 36 ILE MD . . 4.470 3.802 2.780 4.034 . 0 0 "[ . 1 . 2]" 1
761 1 34 VAL HB 1 53 PHE H . . 5.500 5.450 4.871 5.559 0.059 18 0 "[ . 1 . 2]" 1
762 1 34 VAL HB 1 53 PHE QB . . 4.590 4.609 4.422 4.831 0.241 5 0 "[ . 1 . 2]" 1
763 1 34 VAL HB 1 53 PHE QD . . 5.500 5.396 5.040 5.511 0.011 9 0 "[ . 1 . 2]" 1
764 1 34 VAL QG 1 35 ILE H . . 3.270 3.089 2.905 3.241 . 0 0 "[ . 1 . 2]" 1
765 1 34 VAL QG 1 35 ILE HA . . 4.630 3.464 3.321 3.639 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL QG 1 35 ILE QG . . 5.410 4.149 3.976 4.436 . 0 0 "[ . 1 . 2]" 1
767 1 34 VAL QG 1 36 ILE H . . 4.500 3.309 3.056 3.700 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL QG 1 36 ILE MD . . 2.780 2.107 1.900 2.430 . 0 0 "[ . 1 . 2]" 1
769 1 34 VAL QG 1 36 ILE QG . . 3.330 2.216 1.961 2.447 . 0 0 "[ . 1 . 2]" 1
770 1 34 VAL QG 1 52 LYS HA . . 5.440 3.979 3.409 4.422 . 0 0 "[ . 1 . 2]" 1
771 1 34 VAL QG 1 53 PHE H . . 3.980 2.700 2.085 3.064 . 0 0 "[ . 1 . 2]" 1
772 1 34 VAL QG 1 53 PHE HA . . 4.710 4.165 3.945 4.296 . 0 0 "[ . 1 . 2]" 1
773 1 34 VAL QG 1 53 PHE QB . . 3.490 1.932 1.826 2.100 . 0 0 "[ . 1 . 2]" 1
774 1 34 VAL QG 1 53 PHE QD . . 4.170 2.845 2.554 3.030 . 0 0 "[ . 1 . 2]" 1
775 1 34 VAL QG 1 54 LEU HA . . 4.610 3.918 3.578 4.218 . 0 0 "[ . 1 . 2]" 1
776 1 34 VAL QG 1 55 VAL H . . 3.570 3.245 2.870 3.598 0.028 2 0 "[ . 1 . 2]" 1
777 1 34 VAL QG 1 55 VAL HA . . 4.940 4.664 4.284 4.992 0.052 2 0 "[ . 1 . 2]" 1
778 1 34 VAL QG 1 96 ILE MD . . 3.320 2.740 2.709 2.768 . 0 0 "[ . 1 . 2]" 1
779 1 34 VAL QG 1 100 TYR HB2 . . 5.110 3.688 3.284 4.052 . 0 0 "[ . 1 . 2]" 1
780 1 34 VAL QG 1 100 TYR QD . . 4.240 2.972 2.589 3.287 . 0 0 "[ . 1 . 2]" 1
781 1 34 VAL QG 1 110 LEU H . . 4.770 3.530 3.271 3.742 . 0 0 "[ . 1 . 2]" 1
782 1 34 VAL QG 1 110 LEU HB2 . . 4.180 2.239 2.029 2.584 . 0 0 "[ . 1 . 2]" 1
783 1 34 VAL QG 1 110 LEU QB . . 3.030 2.168 1.977 2.483 . 0 0 "[ . 1 . 2]" 1
784 1 34 VAL QG 1 110 LEU HB3 . . 4.180 2.903 2.694 3.216 . 0 0 "[ . 1 . 2]" 1
785 1 34 VAL QG 1 112 MET H . . 4.100 4.880 4.641 4.953 0.853 18 20 [*******-*********+**] 1
786 1 34 VAL QG 1 112 MET QB . . 3.880 4.340 3.895 4.575 0.695 11 11 "[ * **- *1+ *** * *2]" 1
787 1 34 VAL QG 1 112 MET ME . . 2.820 2.139 1.815 2.352 . 0 0 "[ . 1 . 2]" 1
788 1 34 VAL QG 1 112 MET QG . . 4.120 3.794 3.191 4.009 . 0 0 "[ . 1 . 2]" 1
789 1 35 ILE H 1 35 ILE HB . . 3.540 2.588 2.475 2.699 . 0 0 "[ . 1 . 2]" 1
790 1 35 ILE H 1 35 ILE MD . . 4.460 4.276 3.845 4.553 0.093 19 0 "[ . 1 . 2]" 1
791 1 35 ILE H 1 35 ILE QG . . 3.930 3.197 2.947 3.509 . 0 0 "[ . 1 . 2]" 1
792 1 35 ILE H 1 35 ILE MG . . 4.140 3.712 3.510 3.819 . 0 0 "[ . 1 . 2]" 1
793 1 35 ILE H 1 53 PHE QD . . 5.500 5.292 4.606 5.517 0.017 16 0 "[ . 1 . 2]" 1
794 1 35 ILE H 1 109 PHE HA . . 5.500 5.473 5.212 5.536 0.036 8 0 "[ . 1 . 2]" 1
795 1 35 ILE H 1 110 LEU H . . 4.480 3.719 3.473 3.820 . 0 0 "[ . 1 . 2]" 1
796 1 35 ILE H 1 110 LEU HB2 . . 4.670 3.749 3.633 3.876 . 0 0 "[ . 1 . 2]" 1
797 1 35 ILE H 1 110 LEU QB . . 3.830 3.052 2.937 3.133 . 0 0 "[ . 1 . 2]" 1
798 1 35 ILE H 1 110 LEU HB3 . . 4.670 3.235 3.051 3.352 . 0 0 "[ . 1 . 2]" 1
799 1 35 ILE H 1 111 TYR H . . 5.490 4.518 4.181 4.740 . 0 0 "[ . 1 . 2]" 1
800 1 35 ILE H 1 111 TYR HA . . 4.120 3.193 2.788 3.471 . 0 0 "[ . 1 . 2]" 1
801 1 35 ILE H 1 111 TYR QD . . 5.500 4.969 4.389 5.390 . 0 0 "[ . 1 . 2]" 1
802 1 35 ILE H 1 112 MET H . . 4.080 3.655 3.377 3.924 . 0 0 "[ . 1 . 2]" 1
803 1 35 ILE H 1 112 MET QG . . 5.500 3.704 3.022 4.511 . 0 0 "[ . 1 . 2]" 1
804 1 35 ILE HA 1 35 ILE MD . . 3.530 2.238 1.907 2.567 . 0 0 "[ . 1 . 2]" 1
805 1 35 ILE HA 1 35 ILE MG . . 3.410 2.548 2.463 2.710 . 0 0 "[ . 1 . 2]" 1
806 1 35 ILE HA 1 36 ILE H . . 3.530 2.228 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
807 1 35 ILE HA 1 53 PHE H . . 4.980 4.063 3.516 4.429 . 0 0 "[ . 1 . 2]" 1
808 1 35 ILE HB 1 111 TYR HA . . 3.980 2.945 2.471 3.278 . 0 0 "[ . 1 . 2]" 1
809 1 35 ILE HB 1 111 TYR QD . . 4.150 3.307 2.409 4.001 . 0 0 "[ . 1 . 2]" 1
810 1 35 ILE HB 1 112 MET H . . 4.600 4.320 3.883 4.666 0.066 17 0 "[ . 1 . 2]" 1
811 1 35 ILE MD 1 35 ILE MG . . 3.330 1.856 1.771 2.080 . 0 0 "[ . 1 . 2]" 1
812 1 35 ILE MD 1 36 ILE H . . 4.440 3.826 3.428 4.095 . 0 0 "[ . 1 . 2]" 1
813 1 35 ILE MD 1 37 GLU QG . . 5.000 4.286 3.779 5.110 0.110 10 0 "[ . 1 . 2]" 1
814 1 35 ILE MD 1 51 THR MG . . 3.860 2.686 2.094 3.879 0.019 2 0 "[ . 1 . 2]" 1
815 1 35 ILE MD 1 52 LYS H . . 4.680 3.938 3.385 4.230 . 0 0 "[ . 1 . 2]" 1
816 1 35 ILE MD 1 52 LYS HA . . 3.630 2.638 1.940 2.978 . 0 0 "[ . 1 . 2]" 1
817 1 35 ILE MD 1 52 LYS HB2 . . 4.170 4.235 3.365 4.571 0.401 8 0 "[ . 1 . 2]" 1
818 1 35 ILE MD 1 52 LYS HB3 . . 4.170 3.582 1.874 4.159 . 0 0 "[ . 1 . 2]" 1
819 1 35 ILE MD 1 52 LYS QD . . 4.700 2.520 2.239 2.960 . 0 0 "[ . 1 . 2]" 1
820 1 35 ILE MD 1 52 LYS QG . . 3.650 2.015 1.768 2.716 . 0 0 "[ . 1 . 2]" 1
821 1 35 ILE MD 1 53 PHE H . . 4.370 4.200 3.133 4.661 0.291 19 0 "[ . 1 . 2]" 1
822 1 35 ILE MD 1 53 PHE QD . . 4.410 4.424 3.527 4.981 0.571 6 1 "[ .+ 1 . 2]" 1
823 1 35 ILE MD 1 109 PHE HB2 . . 5.500 5.508 5.397 5.603 0.103 10 0 "[ . 1 . 2]" 1
824 1 35 ILE MD 1 109 PHE HB3 . . 4.670 4.798 4.588 4.919 0.249 19 0 "[ . 1 . 2]" 1
825 1 35 ILE MD 1 109 PHE QD . . 3.960 3.731 3.456 3.963 0.003 10 0 "[ . 1 . 2]" 1
826 1 35 ILE MD 1 109 PHE QE . . 4.230 2.779 2.153 3.165 . 0 0 "[ . 1 . 2]" 1
827 1 35 ILE QG 1 36 ILE H . . 5.500 4.544 4.220 4.760 . 0 0 "[ . 1 . 2]" 1
828 1 35 ILE QG 1 109 PHE QD . . 4.520 2.541 1.978 2.892 . 0 0 "[ . 1 . 2]" 1
829 1 35 ILE QG 1 110 LEU H . . 4.400 4.102 3.756 4.541 0.141 10 0 "[ . 1 . 2]" 1
830 1 35 ILE QG 1 111 TYR QE . . 5.500 3.911 2.829 4.558 . 0 0 "[ . 1 . 2]" 1
831 1 35 ILE MG 1 36 ILE H . . 3.710 3.369 2.772 3.486 . 0 0 "[ . 1 . 2]" 1
832 1 35 ILE MG 1 36 ILE HA . . 4.460 3.901 3.643 4.074 . 0 0 "[ . 1 . 2]" 1
833 1 35 ILE MG 1 37 GLU H . . 4.730 4.233 3.871 4.539 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE MG 1 37 GLU QB . . 5.230 3.728 3.343 4.134 . 0 0 "[ . 1 . 2]" 1
835 1 35 ILE MG 1 37 GLU QG . . 3.270 2.527 1.915 3.417 0.147 10 0 "[ . 1 . 2]" 1
836 1 35 ILE MG 1 51 THR HB . . 4.650 3.779 2.385 4.429 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE MG 1 51 THR MG . . 3.410 2.124 1.722 3.255 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE MG 1 109 PHE QD . . 5.500 4.660 4.350 4.894 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE MG 1 111 TYR HA . . 4.730 3.395 2.589 3.710 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE MG 1 111 TYR QE . . 4.430 3.505 2.888 3.789 . 0 0 "[ . 1 . 2]" 1
841 1 35 ILE MG 1 112 MET H . . 4.690 3.983 3.050 4.473 . 0 0 "[ . 1 . 2]" 1
842 1 36 ILE H 1 36 ILE HB . . 3.900 2.475 2.350 2.725 . 0 0 "[ . 1 . 2]" 1
843 1 36 ILE H 1 36 ILE MD . . 4.360 3.337 3.051 3.511 . 0 0 "[ . 1 . 2]" 1
844 1 36 ILE H 1 36 ILE HG12 . . 4.710 3.501 1.912 4.016 . 0 0 "[ . 1 . 2]" 1
845 1 36 ILE H 1 36 ILE QG . . 4.120 2.357 1.901 2.617 . 0 0 "[ . 1 . 2]" 1
846 1 36 ILE H 1 36 ILE HG13 . . 4.710 2.664 2.237 3.576 . 0 0 "[ . 1 . 2]" 1
847 1 36 ILE H 1 36 ILE MG . . 3.980 3.757 3.707 3.837 . 0 0 "[ . 1 . 2]" 1
848 1 36 ILE H 1 51 THR HB . . 5.500 5.189 4.023 5.518 0.018 19 0 "[ . 1 . 2]" 1
849 1 36 ILE H 1 51 THR MG . . 4.470 3.225 2.402 4.177 . 0 0 "[ . 1 . 2]" 1
850 1 36 ILE H 1 53 PHE QD . . 4.590 2.739 2.124 3.116 . 0 0 "[ . 1 . 2]" 1
851 1 36 ILE H 1 53 PHE QE . . 4.830 3.000 2.095 3.369 . 0 0 "[ . 1 . 2]" 1
852 1 36 ILE H 1 112 MET ME . . 5.500 5.403 5.151 5.547 0.047 10 0 "[ . 1 . 2]" 1
853 1 36 ILE HA 1 36 ILE MD . . 4.150 3.573 2.306 3.914 . 0 0 "[ . 1 . 2]" 1
854 1 36 ILE HA 1 36 ILE MG . . 3.440 2.314 2.162 2.461 . 0 0 "[ . 1 . 2]" 1
855 1 36 ILE HA 1 37 GLU H . . 2.920 2.195 2.178 2.224 . 0 0 "[ . 1 . 2]" 1
856 1 36 ILE HA 1 112 MET H . . 3.340 2.943 2.698 3.172 . 0 0 "[ . 1 . 2]" 1
857 1 36 ILE HA 1 112 MET QB . . 4.480 3.083 2.564 3.319 . 0 0 "[ . 1 . 2]" 1
858 1 36 ILE HA 1 112 MET ME . . 5.000 5.063 4.827 5.270 0.270 17 0 "[ . 1 . 2]" 1
859 1 36 ILE HA 1 113 VAL H . . 4.950 5.324 5.221 5.436 0.486 17 0 "[ . 1 . 2]" 1
860 1 36 ILE HA 1 113 VAL HA . . 4.400 4.171 3.965 4.436 0.036 12 0 "[ . 1 . 2]" 1
861 1 36 ILE HB 1 36 ILE MD . . 3.250 2.283 1.957 3.187 . 0 0 "[ . 1 . 2]" 1
862 1 36 ILE HB 1 37 GLU H . . 4.500 4.252 3.969 4.319 . 0 0 "[ . 1 . 2]" 1
863 1 36 ILE HB 1 53 PHE QD . . 4.410 3.465 2.978 3.947 . 0 0 "[ . 1 . 2]" 1
864 1 36 ILE HB 1 53 PHE QE . . 3.890 2.564 1.981 3.067 . 0 0 "[ . 1 . 2]" 1
865 1 36 ILE HB 1 68 ILE MD . . 3.720 3.123 2.667 3.617 . 0 0 "[ . 1 . 2]" 1
866 1 36 ILE MD 1 36 ILE MG . . 3.080 2.245 1.840 2.566 . 0 0 "[ . 1 . 2]" 1
867 1 36 ILE MD 1 37 GLU H . . 5.370 5.041 3.940 5.386 0.016 6 0 "[ . 1 . 2]" 1
868 1 36 ILE MD 1 53 PHE QB . . 4.310 3.057 2.531 3.949 . 0 0 "[ . 1 . 2]" 1
869 1 36 ILE MD 1 53 PHE QD . . 3.840 3.111 2.261 3.831 . 0 0 "[ . 1 . 2]" 1
870 1 36 ILE MD 1 53 PHE QE . . 4.170 3.460 2.705 4.261 0.091 10 0 "[ . 1 . 2]" 1
871 1 36 ILE MD 1 64 LEU QD . . 4.130 1.992 1.649 2.295 . 0 0 "[ . 1 . 2]" 1
872 1 36 ILE MD 1 65 ILE HA . . 5.500 5.344 4.634 5.532 0.032 20 0 "[ . 1 . 2]" 1
873 1 36 ILE MD 1 68 ILE HA . . 5.500 4.714 4.332 5.544 0.044 10 0 "[ . 1 . 2]" 1
874 1 36 ILE MD 1 68 ILE HG12 . . 4.130 3.213 2.799 3.766 . 0 0 "[ . 1 . 2]" 1
875 1 36 ILE MD 1 68 ILE HG13 . . 4.130 2.537 1.907 2.912 . 0 0 "[ . 1 . 2]" 1
876 1 36 ILE MD 1 112 MET QB . . 4.400 3.538 1.912 4.022 . 0 0 "[ . 1 . 2]" 1
877 1 36 ILE MD 1 112 MET ME . . 4.070 3.258 2.355 3.737 . 0 0 "[ . 1 . 2]" 1
878 1 36 ILE MD 1 112 MET QG . . 4.920 4.281 2.064 4.921 0.001 17 0 "[ . 1 . 2]" 1
879 1 36 ILE QG 1 37 GLU H . . 4.550 4.323 4.074 4.816 0.266 3 0 "[ . 1 . 2]" 1
880 1 36 ILE QG 1 112 MET H . . 5.340 3.931 3.421 4.892 . 0 0 "[ . 1 . 2]" 1
881 1 36 ILE QG 1 112 MET QB . . 4.710 2.711 2.107 3.871 . 0 0 "[ . 1 . 2]" 1
882 1 36 ILE MG 1 37 GLU H . . 3.310 2.636 2.318 2.871 . 0 0 "[ . 1 . 2]" 1
883 1 36 ILE MG 1 37 GLU HA . . 4.530 3.744 3.435 4.097 . 0 0 "[ . 1 . 2]" 1
884 1 36 ILE MG 1 37 GLU QB . . 4.840 4.563 4.338 4.780 . 0 0 "[ . 1 . 2]" 1
885 1 36 ILE MG 1 68 ILE HB . . 5.500 5.091 4.496 5.565 0.065 5 0 "[ . 1 . 2]" 1
886 1 36 ILE MG 1 68 ILE MD . . 2.970 2.413 1.914 3.289 0.319 17 0 "[ . 1 . 2]" 1
887 1 36 ILE MG 1 68 ILE MG . . 3.930 3.216 2.661 3.541 . 0 0 "[ . 1 . 2]" 1
888 1 36 ILE MG 1 112 MET H . . 5.340 4.449 4.083 4.653 . 0 0 "[ . 1 . 2]" 1
889 1 36 ILE MG 1 113 VAL H . . 4.970 4.853 4.557 4.989 0.019 17 0 "[ . 1 . 2]" 1
890 1 36 ILE MG 1 113 VAL HA . . 4.390 3.526 3.175 3.893 . 0 0 "[ . 1 . 2]" 1
891 1 36 ILE MG 1 114 TYR H . . 4.180 3.294 2.968 3.608 . 0 0 "[ . 1 . 2]" 1
892 1 36 ILE MG 1 114 TYR HB2 . . 4.340 3.900 3.416 4.423 0.083 10 0 "[ . 1 . 2]" 1
893 1 36 ILE MG 1 114 TYR HB3 . . 4.620 2.583 2.183 3.059 . 0 0 "[ . 1 . 2]" 1
894 1 36 ILE MG 1 114 TYR QD . . 3.360 1.900 1.767 2.178 . 0 0 "[ . 1 . 2]" 1
895 1 36 ILE MG 1 114 TYR QE . . 3.790 3.250 2.698 3.647 . 0 0 "[ . 1 . 2]" 1
896 1 37 GLU H 1 37 GLU HB2 . . 3.850 2.782 2.469 3.823 . 0 0 "[ . 1 . 2]" 1
897 1 37 GLU H 1 37 GLU QB . . 3.300 2.684 2.425 3.307 0.007 10 0 "[ . 1 . 2]" 1
898 1 37 GLU H 1 37 GLU HB3 . . 3.850 3.706 3.517 3.870 0.020 18 0 "[ . 1 . 2]" 1
899 1 37 GLU H 1 37 GLU QG . . 3.530 3.136 2.082 3.699 0.169 5 0 "[ . 1 . 2]" 1
900 1 37 GLU H 1 38 ARG H . . 4.490 4.440 4.347 4.485 . 0 0 "[ . 1 . 2]" 1
901 1 37 GLU H 1 38 ARG HA . . 5.180 4.880 4.710 4.963 . 0 0 "[ . 1 . 2]" 1
902 1 37 GLU H 1 112 MET H . . 4.550 3.981 3.695 4.147 . 0 0 "[ . 1 . 2]" 1
903 1 37 GLU H 1 112 MET HA . . 5.360 5.346 5.083 5.430 0.070 6 0 "[ . 1 . 2]" 1
904 1 37 GLU H 1 113 VAL HA . . 3.380 2.797 2.563 2.946 . 0 0 "[ . 1 . 2]" 1
905 1 37 GLU H 1 113 VAL MG1 . . 4.830 4.711 4.518 4.954 0.124 20 0 "[ . 1 . 2]" 1
906 1 37 GLU H 1 113 VAL MG2 . . 3.860 3.432 3.116 3.681 . 0 0 "[ . 1 . 2]" 1
907 1 37 GLU H 1 114 TYR QD . . 4.640 3.625 3.196 3.949 . 0 0 "[ . 1 . 2]" 1
908 1 37 GLU H 1 114 TYR QE . . 5.500 4.751 4.145 5.318 . 0 0 "[ . 1 . 2]" 1
909 1 37 GLU HA 1 38 ARG H . . 3.010 2.523 2.287 2.689 . 0 0 "[ . 1 . 2]" 1
910 1 37 GLU HA 1 114 TYR H . . 5.500 5.233 4.882 5.478 . 0 0 "[ . 1 . 2]" 1
911 1 37 GLU QB 1 37 GLU QG . . 2.430 2.052 2.020 2.104 . 0 0 "[ . 1 . 2]" 1
912 1 37 GLU QB 1 38 ARG H . . 3.080 2.471 2.093 3.125 0.045 5 0 "[ . 1 . 2]" 1
913 1 37 GLU HB2 1 38 ARG H . . 3.830 3.519 2.121 4.349 0.519 5 1 "[ + 1 . 2]" 1
914 1 37 GLU HB3 1 38 ARG H . . 3.830 2.630 2.188 3.687 . 0 0 "[ . 1 . 2]" 1
915 1 37 GLU QG 1 38 ARG H . . 4.650 4.001 3.526 4.178 . 0 0 "[ . 1 . 2]" 1
916 1 37 GLU QG 1 51 THR MG . . 3.910 2.178 1.760 3.711 . 0 0 "[ . 1 . 2]" 1
917 1 38 ARG H 1 38 ARG HB2 . . 3.680 3.569 3.538 3.600 . 0 0 "[ . 1 . 2]" 1
918 1 38 ARG H 1 38 ARG HB3 . . 3.130 2.495 2.363 2.607 . 0 0 "[ . 1 . 2]" 1
919 1 38 ARG H 1 38 ARG QD . . 3.930 3.331 3.036 3.757 . 0 0 "[ . 1 . 2]" 1
920 1 38 ARG H 1 38 ARG HE . . 5.380 4.887 4.161 5.294 . 0 0 "[ . 1 . 2]" 1
921 1 38 ARG H 1 38 ARG HG2 . . 3.060 2.138 1.916 2.290 . 0 0 "[ . 1 . 2]" 1
922 1 38 ARG H 1 38 ARG HG3 . . 3.980 3.581 3.354 3.718 . 0 0 "[ . 1 . 2]" 1
923 1 38 ARG H 1 113 VAL MG2 . . 4.790 4.719 4.580 4.810 0.020 6 0 "[ . 1 . 2]" 1
924 1 38 ARG H 1 114 TYR QE . . 4.050 3.667 2.980 4.121 0.071 7 0 "[ . 1 . 2]" 1
925 1 38 ARG HA 1 38 ARG QD . . 4.470 4.275 4.211 4.312 . 0 0 "[ . 1 . 2]" 1
926 1 38 ARG HA 1 38 ARG HG2 . . 3.740 3.643 3.576 3.727 . 0 0 "[ . 1 . 2]" 1
927 1 38 ARG HA 1 38 ARG HG3 . . 3.950 3.849 3.731 3.948 . 0 0 "[ . 1 . 2]" 1
928 1 38 ARG HA 1 39 TYR H . . 3.040 2.295 2.241 2.379 . 0 0 "[ . 1 . 2]" 1
929 1 38 ARG HA 1 42 GLU QB . . 4.730 3.886 3.458 4.299 . 0 0 "[ . 1 . 2]" 1
930 1 38 ARG HA 1 113 VAL HA . . 4.560 4.544 4.276 4.691 0.131 19 0 "[ . 1 . 2]" 1
931 1 38 ARG HA 1 113 VAL MG1 . . 3.860 3.736 3.539 3.985 0.125 12 0 "[ . 1 . 2]" 1
932 1 38 ARG HA 1 113 VAL MG2 . . 4.400 4.545 4.375 4.622 0.222 6 0 "[ . 1 . 2]" 1
933 1 38 ARG HA 1 114 TYR H . . 3.790 3.372 2.980 3.691 . 0 0 "[ . 1 . 2]" 1
934 1 38 ARG HA 1 114 TYR QD . . 4.630 3.527 3.176 3.806 . 0 0 "[ . 1 . 2]" 1
935 1 38 ARG HA 1 114 TYR QE . . 4.410 3.105 2.614 3.411 . 0 0 "[ . 1 . 2]" 1
936 1 38 ARG HB2 1 39 TYR H . . 3.640 3.093 2.802 3.360 . 0 0 "[ . 1 . 2]" 1
937 1 38 ARG HB3 1 38 ARG HE . . 4.990 4.387 3.810 4.745 . 0 0 "[ . 1 . 2]" 1
938 1 38 ARG HB3 1 39 TYR H . . 4.660 4.238 4.083 4.373 . 0 0 "[ . 1 . 2]" 1
939 1 38 ARG QD 1 47 VAL QG . . 3.780 2.683 2.003 3.224 . 0 0 "[ . 1 . 2]" 1
940 1 38 ARG QD 1 114 TYR QE . . 5.080 4.840 4.169 5.323 0.243 7 0 "[ . 1 . 2]" 1
941 1 38 ARG HD2 1 47 VAL MG1 . . 5.500 4.197 2.342 5.246 . 0 0 "[ . 1 . 2]" 1
942 1 38 ARG HD2 1 47 VAL MG2 . . 5.500 3.422 2.279 4.138 . 0 0 "[ . 1 . 2]" 1
943 1 38 ARG HD3 1 47 VAL MG1 . . 5.500 3.609 2.579 5.227 . 0 0 "[ . 1 . 2]" 1
944 1 38 ARG HD3 1 47 VAL MG2 . . 5.500 3.411 2.615 4.423 . 0 0 "[ . 1 . 2]" 1
945 1 38 ARG HG3 1 39 TYR H . . 4.260 4.086 3.831 4.274 0.014 2 0 "[ . 1 . 2]" 1
946 1 38 ARG HG3 1 40 LYS H . . 5.500 5.288 4.952 5.470 . 0 0 "[ . 1 . 2]" 1
947 1 38 ARG HG3 1 41 GLY H . . 5.080 4.155 3.730 4.458 . 0 0 "[ . 1 . 2]" 1
948 1 38 ARG HG3 1 42 GLU H . . 4.160 3.834 3.273 4.313 0.153 19 0 "[ . 1 . 2]" 1
949 1 39 TYR H 1 39 TYR HB2 . . 3.270 2.630 2.448 2.766 . 0 0 "[ . 1 . 2]" 1
950 1 39 TYR H 1 39 TYR HB3 . . 3.220 2.085 1.978 2.237 . 0 0 "[ . 1 . 2]" 1
951 1 39 TYR H 1 39 TYR QD . . 4.120 3.940 3.820 4.053 . 0 0 "[ . 1 . 2]" 1
952 1 39 TYR H 1 40 LYS H . . 4.710 4.647 4.611 4.666 . 0 0 "[ . 1 . 2]" 1
953 1 39 TYR H 1 42 GLU H . . 4.870 4.516 4.307 4.743 . 0 0 "[ . 1 . 2]" 1
954 1 39 TYR H 1 42 GLU HB2 . . 4.640 3.240 2.377 3.852 . 0 0 "[ . 1 . 2]" 1
955 1 39 TYR H 1 42 GLU QB . . 3.870 2.521 2.282 2.740 . 0 0 "[ . 1 . 2]" 1
956 1 39 TYR H 1 42 GLU HB3 . . 4.640 2.815 2.315 3.316 . 0 0 "[ . 1 . 2]" 1
957 1 39 TYR H 1 42 GLU QG . . 4.540 3.205 2.565 4.004 . 0 0 "[ . 1 . 2]" 1
958 1 39 TYR H 1 83 LEU QD . . 5.440 5.677 4.818 5.967 0.527 14 2 "[ . 1 +. -2]" 1
959 1 39 TYR H 1 113 VAL HA . . 4.760 4.677 4.196 4.776 0.016 6 0 "[ . 1 . 2]" 1
960 1 39 TYR H 1 113 VAL MG1 . . 3.450 2.588 2.436 2.737 . 0 0 "[ . 1 . 2]" 1
961 1 39 TYR H 1 113 VAL MG2 . . 4.070 4.242 4.064 4.289 0.219 17 0 "[ . 1 . 2]" 1
962 1 39 TYR H 1 114 TYR H . . 3.700 3.599 3.226 3.943 0.243 3 0 "[ . 1 . 2]" 1
963 1 39 TYR H 1 114 TYR QD . . 4.600 4.427 4.166 4.608 0.008 1 0 "[ . 1 . 2]" 1
964 1 39 TYR H 1 114 TYR QE . . 4.590 4.614 4.169 4.866 0.276 1 0 "[ . 1 . 2]" 1
965 1 39 TYR H 1 115 ALA HA . . 4.720 4.288 3.998 4.460 . 0 0 "[ . 1 . 2]" 1
966 1 39 TYR H 1 115 ALA MB . . 4.380 3.263 2.856 3.712 . 0 0 "[ . 1 . 2]" 1
967 1 39 TYR HA 1 39 TYR QD . . 3.640 3.285 3.126 3.358 . 0 0 "[ . 1 . 2]" 1
968 1 39 TYR HA 1 40 LYS H . . 2.890 2.265 2.211 2.357 . 0 0 "[ . 1 . 2]" 1
969 1 39 TYR HA 1 40 LYS QB . . 4.690 4.454 4.305 4.616 . 0 0 "[ . 1 . 2]" 1
970 1 39 TYR HA 1 113 VAL HB . . 4.330 4.172 4.118 4.233 . 0 0 "[ . 1 . 2]" 1
971 1 39 TYR HA 1 113 VAL MG1 . . 3.210 1.757 1.750 1.763 . 0 0 "[ . 1 . 2]" 1
972 1 39 TYR HA 1 113 VAL MG2 . . 3.510 2.704 2.557 2.801 . 0 0 "[ . 1 . 2]" 1
973 1 39 TYR HA 1 114 TYR H . . 4.900 4.638 4.292 4.970 0.070 16 0 "[ . 1 . 2]" 1
974 1 39 TYR HA 1 115 ALA MB . . 4.720 4.391 4.069 4.630 . 0 0 "[ . 1 . 2]" 1
975 1 39 TYR HB2 1 40 LYS H . . 4.300 3.949 3.797 4.158 . 0 0 "[ . 1 . 2]" 1
976 1 39 TYR HB2 1 113 VAL HB . . 4.540 4.336 4.288 4.412 . 0 0 "[ . 1 . 2]" 1
977 1 39 TYR HB2 1 113 VAL MG1 . . 3.520 1.827 1.790 1.862 . 0 0 "[ . 1 . 2]" 1
978 1 39 TYR HB2 1 113 VAL MG2 . . 4.060 4.008 3.965 4.028 . 0 0 "[ . 1 . 2]" 1
979 1 39 TYR HB2 1 114 TYR H . . 4.830 4.248 3.574 4.802 . 0 0 "[ . 1 . 2]" 1
980 1 39 TYR HB2 1 115 ALA MB . . 3.520 2.450 2.049 2.728 . 0 0 "[ . 1 . 2]" 1
981 1 39 TYR HB3 1 40 LYS H . . 4.540 4.291 3.996 4.367 . 0 0 "[ . 1 . 2]" 1
982 1 39 TYR HB3 1 42 GLU H . . 4.050 3.910 3.656 4.084 0.034 12 0 "[ . 1 . 2]" 1
983 1 39 TYR HB3 1 113 VAL MG1 . . 4.000 3.052 2.982 3.107 . 0 0 "[ . 1 . 2]" 1
984 1 39 TYR HB3 1 115 ALA MB . . 3.480 2.173 1.869 2.489 . 0 0 "[ . 1 . 2]" 1
985 1 39 TYR HB3 1 116 SER H . . 5.420 5.266 4.912 5.449 0.029 10 0 "[ . 1 . 2]" 1
986 1 39 TYR QD 1 40 LYS H . . 3.570 3.441 3.135 3.576 0.006 16 0 "[ . 1 . 2]" 1
987 1 39 TYR QD 1 40 LYS HA . . 4.770 4.210 3.887 4.650 . 0 0 "[ . 1 . 2]" 1
988 1 39 TYR QD 1 41 GLY QA . . 4.680 3.332 3.188 3.630 . 0 0 "[ . 1 . 2]" 1
989 1 39 TYR QD 1 42 GLU H . . 3.570 2.547 2.327 2.890 . 0 0 "[ . 1 . 2]" 1
990 1 39 TYR QD 1 42 GLU HA . . 4.030 3.158 2.520 3.821 . 0 0 "[ . 1 . 2]" 1
991 1 39 TYR QD 1 42 GLU QB . . 4.160 2.206 1.936 2.748 . 0 0 "[ . 1 . 2]" 1
992 1 39 TYR QD 1 113 VAL HB . . 4.740 4.352 3.652 4.675 . 0 0 "[ . 1 . 2]" 1
993 1 39 TYR QD 1 113 VAL MG1 . . 3.670 2.337 1.887 2.524 . 0 0 "[ . 1 . 2]" 1
994 1 39 TYR QD 1 113 VAL MG2 . . 4.480 4.323 3.970 4.476 . 0 0 "[ . 1 . 2]" 1
995 1 39 TYR QD 1 115 ALA MB . . 3.760 3.188 2.639 3.574 . 0 0 "[ . 1 . 2]" 1
996 1 39 TYR QE 1 40 LYS H . . 4.770 4.397 3.975 4.581 . 0 0 "[ . 1 . 2]" 1
997 1 39 TYR QE 1 40 LYS QE . . 5.500 5.005 3.751 5.501 0.001 1 0 "[ . 1 . 2]" 1
998 1 39 TYR QE 1 41 GLY HA2 . . 4.480 4.194 3.946 4.667 0.187 19 0 "[ . 1 . 2]" 1
999 1 39 TYR QE 1 41 GLY QA . . 3.810 2.566 2.328 2.978 . 0 0 "[ . 1 . 2]" 1
1000 1 39 TYR QE 1 41 GLY HA3 . . 4.480 2.589 2.344 3.013 . 0 0 "[ . 1 . 2]" 1
1001 1 39 TYR QE 1 42 GLU H . . 4.540 4.298 4.053 4.791 0.251 13 0 "[ . 1 . 2]" 1
1002 1 39 TYR QE 1 42 GLU HA . . 4.670 4.460 3.911 5.254 0.584 19 3 "[ .* 1 - . +2]" 1
1003 1 40 LYS H 1 40 LYS HB2 . . 3.630 3.051 2.371 3.537 . 0 0 "[ . 1 . 2]" 1
1004 1 40 LYS H 1 40 LYS QB . . 3.090 2.464 2.337 2.638 . 0 0 "[ . 1 . 2]" 1
1005 1 40 LYS H 1 40 LYS HB3 . . 3.630 2.999 2.406 3.567 . 0 0 "[ . 1 . 2]" 1
1006 1 40 LYS H 1 40 LYS QD . . 4.040 3.658 2.031 4.021 . 0 0 "[ . 1 . 2]" 1
1007 1 40 LYS H 1 40 LYS QE . . 4.960 3.847 2.405 4.781 . 0 0 "[ . 1 . 2]" 1
1008 1 40 LYS H 1 40 LYS HG2 . . 4.020 2.635 1.923 3.597 . 0 0 "[ . 1 . 2]" 1
1009 1 40 LYS H 1 40 LYS QG . . 3.280 2.005 1.912 2.142 . 0 0 "[ . 1 . 2]" 1
1010 1 40 LYS H 1 40 LYS HG3 . . 4.020 2.609 1.983 3.584 . 0 0 "[ . 1 . 2]" 1
1011 1 40 LYS H 1 41 GLY H . . 4.520 4.278 4.213 4.370 . 0 0 "[ . 1 . 2]" 1
1012 1 40 LYS H 1 42 GLU H . . 4.850 4.786 4.715 4.809 . 0 0 "[ . 1 . 2]" 1
1013 1 40 LYS H 1 113 VAL HB . . 5.500 5.555 5.521 5.607 0.107 12 0 "[ . 1 . 2]" 1
1014 1 40 LYS H 1 113 VAL MG2 . . 4.030 3.698 3.533 3.904 . 0 0 "[ . 1 . 2]" 1
1015 1 40 LYS HA 1 40 LYS QB . . 2.650 2.252 2.167 2.393 . 0 0 "[ . 1 . 2]" 1
1016 1 40 LYS HA 1 40 LYS QD . . 4.430 4.228 3.851 4.444 0.014 17 0 "[ . 1 . 2]" 1
1017 1 40 LYS HA 1 40 LYS HG2 . . 3.900 3.251 2.414 3.797 . 0 0 "[ . 1 . 2]" 1
1018 1 40 LYS HA 1 40 LYS HG3 . . 3.900 3.352 2.587 3.834 . 0 0 "[ . 1 . 2]" 1
1019 1 40 LYS HA 1 41 GLY H . . 3.500 2.237 2.200 2.269 . 0 0 "[ . 1 . 2]" 1
1020 1 40 LYS HA 1 42 GLU H . . 3.850 3.674 3.550 3.763 . 0 0 "[ . 1 . 2]" 1
1021 1 40 LYS QB 1 40 LYS QE . . 2.900 2.225 1.908 2.590 . 0 0 "[ . 1 . 2]" 1
1022 1 40 LYS QB 1 41 GLY H . . 4.760 3.742 3.639 3.802 . 0 0 "[ . 1 . 2]" 1
1023 1 40 LYS HB2 1 40 LYS QE . . 3.480 2.456 1.935 3.509 0.029 17 0 "[ . 1 . 2]" 1
1024 1 40 LYS HB3 1 40 LYS QE . . 3.480 3.031 2.044 3.505 0.025 14 0 "[ . 1 . 2]" 1
1025 1 40 LYS QE 1 40 LYS HG2 . . 3.580 3.067 2.173 3.575 . 0 0 "[ . 1 . 2]" 1
1026 1 40 LYS QE 1 40 LYS QG . . 2.920 2.361 2.144 2.895 . 0 0 "[ . 1 . 2]" 1
1027 1 40 LYS QE 1 40 LYS HG3 . . 3.580 2.728 2.184 3.407 . 0 0 "[ . 1 . 2]" 1
1028 1 40 LYS QG 1 41 GLY H . . 4.530 4.393 4.313 4.491 . 0 0 "[ . 1 . 2]" 1
1029 1 40 LYS HG2 1 41 GLY H . . 5.150 5.059 4.662 5.516 0.366 16 0 "[ . 1 . 2]" 1
1030 1 40 LYS HG3 1 41 GLY H . . 5.150 4.880 4.698 5.374 0.224 1 0 "[ . 1 . 2]" 1
1031 1 41 GLY H 1 42 GLU H . . 3.290 1.965 1.922 2.097 . 0 0 "[ . 1 . 2]" 1
1032 1 42 GLU H 1 42 GLU HB2 . . 3.250 2.894 2.251 3.226 . 0 0 "[ . 1 . 2]" 1
1033 1 42 GLU H 1 42 GLU QB . . 2.780 2.293 2.178 2.430 . 0 0 "[ . 1 . 2]" 1
1034 1 42 GLU H 1 42 GLU HB3 . . 3.250 2.511 2.322 2.900 . 0 0 "[ . 1 . 2]" 1
1035 1 42 GLU H 1 42 GLU HG2 . . 4.870 4.471 4.124 4.753 . 0 0 "[ . 1 . 2]" 1
1036 1 42 GLU H 1 42 GLU QG . . 4.130 3.970 3.829 4.146 0.016 6 0 "[ . 1 . 2]" 1
1037 1 42 GLU H 1 42 GLU HG3 . . 4.870 4.520 4.076 4.883 0.013 6 0 "[ . 1 . 2]" 1
1038 1 42 GLU H 1 43 LYS H . . 4.630 4.282 4.122 4.500 . 0 0 "[ . 1 . 2]" 1
1039 1 42 GLU HA 1 42 GLU QG . . 3.750 2.726 2.283 3.261 . 0 0 "[ . 1 . 2]" 1
1040 1 42 GLU HA 1 44 GLN H . . 4.240 3.554 3.301 3.854 . 0 0 "[ . 1 . 2]" 1
1041 1 42 GLU QB 1 115 ALA HA . . 4.800 3.874 3.508 4.290 . 0 0 "[ . 1 . 2]" 1
1042 1 42 GLU QB 1 115 ALA MB . . 4.020 2.604 2.020 3.278 . 0 0 "[ . 1 . 2]" 1
1043 1 42 GLU QG 1 45 LEU H . . 3.880 3.284 2.719 3.967 0.087 7 0 "[ . 1 . 2]" 1
1044 1 42 GLU QG 1 45 LEU QB . . 4.330 2.925 2.262 3.271 . 0 0 "[ . 1 . 2]" 1
1045 1 42 GLU QG 1 45 LEU QD . . 3.910 3.020 2.366 3.858 . 0 0 "[ . 1 . 2]" 1
1046 1 42 GLU QG 1 115 ALA MB . . 3.980 2.243 1.776 3.000 . 0 0 "[ . 1 . 2]" 1
1047 1 42 GLU QG 1 116 SER H . . 4.170 3.384 2.723 3.905 . 0 0 "[ . 1 . 2]" 1
1048 1 43 LYS HA 1 43 LYS HD2 . . 4.510 4.185 3.362 4.783 0.273 11 0 "[ . 1 . 2]" 1
1049 1 43 LYS HA 1 43 LYS QD . . 3.840 3.547 3.286 3.790 . 0 0 "[ . 1 . 2]" 1
1050 1 43 LYS HA 1 43 LYS HD3 . . 4.510 4.038 3.440 4.762 0.252 3 0 "[ . 1 . 2]" 1
1051 1 43 LYS HA 1 43 LYS QG . . 3.530 3.417 3.359 3.472 . 0 0 "[ . 1 . 2]" 1
1052 1 43 LYS QB 1 43 LYS QD . . 2.350 2.149 2.023 2.282 . 0 0 "[ . 1 . 2]" 1
1053 1 43 LYS QB 1 43 LYS QE . . 3.590 3.167 2.419 3.597 0.007 13 0 "[ . 1 . 2]" 1
1054 1 43 LYS QB 1 44 GLN H . . 3.880 3.605 3.333 3.844 . 0 0 "[ . 1 . 2]" 1
1055 1 43 LYS QD 1 43 LYS QG . . 2.360 2.068 2.047 2.088 . 0 0 "[ . 1 . 2]" 1
1056 1 43 LYS QD 1 44 GLN H . . 3.220 2.819 2.021 3.331 0.111 11 0 "[ . 1 . 2]" 1
1057 1 43 LYS QE 1 43 LYS QG . . 3.350 2.216 2.012 2.507 . 0 0 "[ . 1 . 2]" 1
1058 1 43 LYS QG 1 44 GLN H . . 2.930 2.236 1.915 2.935 0.005 1 0 "[ . 1 . 2]" 1
1059 1 43 LYS QG 1 44 GLN QE . . 4.610 4.025 2.623 4.615 0.005 8 0 "[ . 1 . 2]" 1
1060 1 43 LYS QG 1 44 GLN QG . . 3.760 3.004 2.625 3.551 . 0 0 "[ . 1 . 2]" 1
1061 1 44 GLN H 1 44 GLN HB2 . . 3.630 2.326 2.121 2.588 . 0 0 "[ . 1 . 2]" 1
1062 1 44 GLN H 1 44 GLN QB . . 3.070 2.295 2.103 2.530 . 0 0 "[ . 1 . 2]" 1
1063 1 44 GLN H 1 44 GLN HB3 . . 3.630 3.535 3.459 3.568 . 0 0 "[ . 1 . 2]" 1
1064 1 44 GLN H 1 44 GLN HG2 . . 3.700 2.885 2.169 3.709 0.009 1 0 "[ . 1 . 2]" 1
1065 1 44 GLN H 1 44 GLN QG . . 3.200 2.399 2.068 2.790 . 0 0 "[ . 1 . 2]" 1
1066 1 44 GLN H 1 44 GLN HG3 . . 3.700 3.104 2.083 3.698 . 0 0 "[ . 1 . 2]" 1
1067 1 44 GLN H 1 45 LEU H . . 3.410 3.339 3.066 3.431 0.021 5 0 "[ . 1 . 2]" 1
1068 1 44 GLN HA 1 44 GLN QE . . 4.560 3.765 2.052 4.562 0.002 1 0 "[ . 1 . 2]" 1
1069 1 44 GLN HA 1 44 GLN HG2 . . 3.820 2.605 2.160 3.483 . 0 0 "[ . 1 . 2]" 1
1070 1 44 GLN HA 1 44 GLN QG . . 3.350 2.408 2.142 2.831 . 0 0 "[ . 1 . 2]" 1
1071 1 44 GLN HA 1 44 GLN HG3 . . 3.820 3.262 2.290 3.683 . 0 0 "[ . 1 . 2]" 1
1072 1 44 GLN QB 1 44 GLN QG . . 2.260 2.058 2.009 2.109 . 0 0 "[ . 1 . 2]" 1
1073 1 44 GLN QB 1 116 SER H . . 5.320 3.931 2.875 4.711 . 0 0 "[ . 1 . 2]" 1
1074 1 44 GLN HB2 1 45 LEU H . . 3.270 2.180 1.959 2.394 . 0 0 "[ . 1 . 2]" 1
1075 1 44 GLN HB3 1 45 LEU H . . 3.270 2.625 2.315 2.996 . 0 0 "[ . 1 . 2]" 1
1076 1 44 GLN QG 1 45 LEU H . . 4.130 4.006 3.847 4.091 . 0 0 "[ . 1 . 2]" 1
1077 1 44 GLN HG2 1 45 LEU H . . 4.960 4.542 4.346 4.717 . 0 0 "[ . 1 . 2]" 1
1078 1 44 GLN HG3 1 45 LEU H . . 4.960 4.463 4.119 4.597 . 0 0 "[ . 1 . 2]" 1
1079 1 45 LEU H 1 45 LEU HB2 . . 3.610 2.250 2.087 2.420 . 0 0 "[ . 1 . 2]" 1
1080 1 45 LEU H 1 45 LEU QB . . 3.040 2.225 2.071 2.381 . 0 0 "[ . 1 . 2]" 1
1081 1 45 LEU H 1 45 LEU HB3 . . 3.610 3.518 3.473 3.536 . 0 0 "[ . 1 . 2]" 1
1082 1 45 LEU H 1 45 LEU MD1 . . 4.100 3.120 2.434 3.876 . 0 0 "[ . 1 . 2]" 1
1083 1 45 LEU H 1 45 LEU QD . . 3.430 2.656 1.787 3.229 . 0 0 "[ . 1 . 2]" 1
1084 1 45 LEU H 1 45 LEU MD2 . . 4.100 3.444 1.791 3.915 . 0 0 "[ . 1 . 2]" 1
1085 1 45 LEU H 1 45 LEU HG . . 3.810 2.622 2.263 3.639 . 0 0 "[ . 1 . 2]" 1
1086 1 45 LEU H 1 46 PRO HD2 . . 5.120 4.967 4.929 4.995 . 0 0 "[ . 1 . 2]" 1
1087 1 45 LEU H 1 46 PRO QD . . 4.330 4.287 4.251 4.304 . 0 0 "[ . 1 . 2]" 1
1088 1 45 LEU H 1 46 PRO HD3 . . 5.120 4.685 4.603 4.730 . 0 0 "[ . 1 . 2]" 1
1089 1 45 LEU H 1 74 LEU MD2 . . 5.490 5.339 4.983 5.506 0.016 20 0 "[ . 1 . 2]" 1
1090 1 45 LEU H 1 114 TYR QE . . 4.820 4.518 3.984 4.835 0.015 13 0 "[ . 1 . 2]" 1
1091 1 45 LEU H 1 116 SER H . . 4.840 4.216 3.291 4.733 . 0 0 "[ . 1 . 2]" 1
1092 1 45 LEU H 1 116 SER HB2 . . 4.590 4.135 3.173 4.799 0.209 4 0 "[ . 1 . 2]" 1
1093 1 45 LEU H 1 116 SER HB3 . . 4.590 4.252 3.152 4.887 0.297 12 0 "[ . 1 . 2]" 1
1094 1 45 LEU HA 1 45 LEU MD1 . . 3.910 3.583 2.284 3.879 . 0 0 "[ . 1 . 2]" 1
1095 1 45 LEU HA 1 45 LEU QD . . 2.970 2.459 1.926 2.892 . 0 0 "[ . 1 . 2]" 1
1096 1 45 LEU HA 1 45 LEU MD2 . . 3.910 2.560 1.932 3.009 . 0 0 "[ . 1 . 2]" 1
1097 1 45 LEU HA 1 46 PRO HD2 . . 3.670 2.629 2.484 2.745 . 0 0 "[ . 1 . 2]" 1
1098 1 45 LEU HA 1 46 PRO QD . . 3.130 1.912 1.856 1.970 . 0 0 "[ . 1 . 2]" 1
1099 1 45 LEU HA 1 46 PRO HD3 . . 3.670 1.964 1.917 2.019 . 0 0 "[ . 1 . 2]" 1
1100 1 45 LEU HA 1 46 PRO QG . . 4.390 3.905 3.847 3.961 . 0 0 "[ . 1 . 2]" 1
1101 1 45 LEU HA 1 74 LEU MD2 . . 3.730 3.243 2.913 3.496 . 0 0 "[ . 1 . 2]" 1
1102 1 45 LEU QB 1 45 LEU QD . . 2.810 1.845 1.716 1.983 . 0 0 "[ . 1 . 2]" 1
1103 1 45 LEU QB 1 46 PRO QD . . 3.750 2.239 1.971 2.661 . 0 0 "[ . 1 . 2]" 1
1104 1 45 LEU QB 1 72 LEU QD . . 4.070 2.639 1.892 2.964 . 0 0 "[ . 1 . 2]" 1
1105 1 45 LEU QB 1 114 TYR QE . . 3.780 2.066 1.830 2.288 . 0 0 "[ . 1 . 2]" 1
1106 1 45 LEU QB 1 116 SER H . . 4.670 4.179 3.503 4.540 . 0 0 "[ . 1 . 2]" 1
1107 1 45 LEU HB2 1 45 LEU MD1 . . 3.610 2.322 1.873 3.191 . 0 0 "[ . 1 . 2]" 1
1108 1 45 LEU HB2 1 45 LEU MD2 . . 3.610 3.002 2.334 3.180 . 0 0 "[ . 1 . 2]" 1
1109 1 45 LEU HB3 1 45 LEU MD1 . . 3.610 2.588 2.104 2.975 . 0 0 "[ . 1 . 2]" 1
1110 1 45 LEU HB3 1 45 LEU MD2 . . 3.610 2.293 1.951 3.223 . 0 0 "[ . 1 . 2]" 1
1111 1 45 LEU QD 1 46 PRO QD . . 3.150 2.304 1.879 2.828 . 0 0 "[ . 1 . 2]" 1
1112 1 45 LEU QD 1 72 LEU QD . . 3.830 2.351 1.914 2.719 . 0 0 "[ . 1 . 2]" 1
1113 1 45 LEU QD 1 74 LEU H . . 5.440 5.259 4.956 5.451 0.011 19 0 "[ . 1 . 2]" 1
1114 1 45 LEU QD 1 74 LEU MD1 . . 3.060 1.858 1.607 2.074 . 0 0 "[ . 1 . 2]" 1
1115 1 45 LEU QD 1 74 LEU MD2 . . 2.960 1.925 1.745 2.179 . 0 0 "[ . 1 . 2]" 1
1116 1 45 LEU QD 1 78 GLN HE21 . . 3.740 2.458 1.929 3.365 . 0 0 "[ . 1 . 2]" 1
1117 1 45 LEU QD 1 78 GLN HE22 . . 3.910 2.622 2.049 3.310 . 0 0 "[ . 1 . 2]" 1
1118 1 45 LEU QD 1 78 GLN QG . . 3.300 2.339 1.949 3.143 . 0 0 "[ . 1 . 2]" 1
1119 1 45 LEU QD 1 80 PHE H . . 4.830 4.223 3.867 4.519 . 0 0 "[ . 1 . 2]" 1
1120 1 45 LEU QD 1 80 PHE HA . . 3.750 2.456 1.894 2.858 . 0 0 "[ . 1 . 2]" 1
1121 1 45 LEU QD 1 80 PHE QD . . 3.950 2.692 1.837 3.269 . 0 0 "[ . 1 . 2]" 1
1122 1 45 LEU QD 1 81 PHE H . . 3.980 3.383 2.593 4.008 0.028 20 0 "[ . 1 . 2]" 1
1123 1 45 LEU QD 1 114 TYR QD . . 3.440 2.497 1.772 3.642 0.202 12 0 "[ . 1 . 2]" 1
1124 1 45 LEU QD 1 114 TYR QE . . 3.970 2.954 2.486 3.701 . 0 0 "[ . 1 . 2]" 1
1125 1 45 LEU QD 1 115 ALA H . . 3.750 3.412 2.531 4.456 0.706 8 3 "[ . + 1 - . *]" 1
1126 1 45 LEU QD 1 116 SER H . . 3.980 2.343 1.949 3.398 . 0 0 "[ . 1 . 2]" 1
1127 1 45 LEU QD 1 116 SER HA . . 3.650 2.388 1.960 3.046 . 0 0 "[ . 1 . 2]" 1
1128 1 45 LEU QD 1 116 SER QB . . 3.640 2.099 1.704 2.979 . 0 0 "[ . 1 . 2]" 1
1129 1 45 LEU QD 1 117 GLN H . . 4.610 3.993 3.749 4.402 . 0 0 "[ . 1 . 2]" 1
1130 1 45 LEU MD1 1 74 LEU MD1 . . 4.440 3.282 1.671 4.102 . 0 0 "[ . 1 . 2]" 1
1131 1 45 LEU MD1 1 80 PHE HB2 . . 4.310 3.026 1.966 4.091 . 0 0 "[ . 1 . 2]" 1
1132 1 45 LEU MD1 1 81 PHE H . . 5.080 3.570 2.607 4.577 . 0 0 "[ . 1 . 2]" 1
1133 1 45 LEU MD1 1 115 ALA H . . 5.110 3.590 2.537 5.506 0.396 8 0 "[ . 1 . 2]" 1
1134 1 45 LEU MD1 1 116 SER HA . . 4.280 2.698 1.963 4.230 . 0 0 "[ . 1 . 2]" 1
1135 1 45 LEU MD2 1 74 LEU MD1 . . 4.440 2.156 1.611 3.852 . 0 0 "[ . 1 . 2]" 1
1136 1 45 LEU MD2 1 80 PHE HB2 . . 4.310 2.576 1.937 4.365 0.055 20 0 "[ . 1 . 2]" 1
1137 1 45 LEU MD2 1 81 PHE H . . 5.080 4.487 4.047 4.598 . 0 0 "[ . 1 . 2]" 1
1138 1 45 LEU MD2 1 115 ALA H . . 5.110 5.111 4.526 5.414 0.304 13 0 "[ . 1 . 2]" 1
1139 1 45 LEU MD2 1 116 SER HA . . 4.280 3.539 2.382 4.167 . 0 0 "[ . 1 . 2]" 1
1140 1 45 LEU HG 1 72 LEU QD . . 5.100 4.369 3.034 4.847 . 0 0 "[ . 1 . 2]" 1
1141 1 45 LEU HG 1 80 PHE HA . . 5.080 4.490 3.230 5.110 0.030 11 0 "[ . 1 . 2]" 1
1142 1 45 LEU HG 1 116 SER H . . 4.580 3.917 2.645 4.291 . 0 0 "[ . 1 . 2]" 1
1143 1 46 PRO HA 1 47 VAL H . . 2.880 2.444 2.408 2.567 . 0 0 "[ . 1 . 2]" 1
1144 1 46 PRO QB 1 47 VAL H . . 2.750 2.594 2.344 2.666 . 0 0 "[ . 1 . 2]" 1
1145 1 46 PRO QB 1 72 LEU QD . . 3.760 3.256 2.653 3.510 . 0 0 "[ . 1 . 2]" 1
1146 1 46 PRO QB 1 74 LEU MD2 . . 5.340 4.196 3.881 4.575 . 0 0 "[ . 1 . 2]" 1
1147 1 46 PRO HB2 1 47 VAL H . . 3.500 2.693 2.403 2.778 . 0 0 "[ . 1 . 2]" 1
1148 1 46 PRO HB3 1 47 VAL H . . 3.500 3.390 3.257 3.433 . 0 0 "[ . 1 . 2]" 1
1149 1 46 PRO QD 1 47 VAL H . . 5.030 4.983 4.903 5.003 . 0 0 "[ . 1 . 2]" 1
1150 1 46 PRO QD 1 72 LEU QD . . 3.440 2.102 1.786 2.441 . 0 0 "[ . 1 . 2]" 1
1151 1 46 PRO QD 1 74 LEU MD2 . . 3.080 2.164 1.885 2.584 . 0 0 "[ . 1 . 2]" 1
1152 1 46 PRO HD2 1 72 LEU MD1 . . 5.220 3.333 1.798 3.924 . 0 0 "[ . 1 . 2]" 1
1153 1 46 PRO HD2 1 72 LEU MD2 . . 5.220 2.306 1.852 3.970 . 0 0 "[ . 1 . 2]" 1
1154 1 46 PRO HD2 1 74 LEU MD2 . . 3.510 2.426 2.063 3.246 . 0 0 "[ . 1 . 2]" 1
1155 1 46 PRO HD3 1 72 LEU MD1 . . 5.220 4.698 3.194 5.294 0.074 10 0 "[ . 1 . 2]" 1
1156 1 46 PRO HD3 1 72 LEU MD2 . . 5.220 3.690 2.814 5.325 0.105 11 0 "[ . 1 . 2]" 1
1157 1 46 PRO HD3 1 74 LEU MD2 . . 3.510 2.461 2.153 2.748 . 0 0 "[ . 1 . 2]" 1
1158 1 46 PRO QG 1 47 VAL H . . 4.780 4.373 4.167 4.434 . 0 0 "[ . 1 . 2]" 1
1159 1 46 PRO QG 1 72 LEU HA . . 3.810 3.172 2.371 3.606 . 0 0 "[ . 1 . 2]" 1
1160 1 46 PRO QG 1 72 LEU HB3 . . 4.320 2.963 2.370 3.403 . 0 0 "[ . 1 . 2]" 1
1161 1 46 PRO QG 1 72 LEU QD . . 2.990 2.057 1.769 2.478 . 0 0 "[ . 1 . 2]" 1
1162 1 46 PRO QG 1 74 LEU MD2 . . 3.760 2.508 2.155 2.920 . 0 0 "[ . 1 . 2]" 1
1163 1 46 PRO HG2 1 74 LEU MD2 . . 4.540 2.855 2.344 3.653 . 0 0 "[ . 1 . 2]" 1
1164 1 46 PRO HG3 1 74 LEU MD2 . . 4.540 2.793 2.472 3.206 . 0 0 "[ . 1 . 2]" 1
1165 1 47 VAL H 1 47 VAL HB . . 2.870 2.449 2.193 2.729 . 0 0 "[ . 1 . 2]" 1
1166 1 47 VAL H 1 47 VAL MG1 . . 3.810 3.533 1.939 3.742 . 0 0 "[ . 1 . 2]" 1
1167 1 47 VAL H 1 47 VAL QG . . 2.790 2.192 1.932 2.609 . 0 0 "[ . 1 . 2]" 1
1168 1 47 VAL H 1 47 VAL MG2 . . 3.810 2.386 2.029 3.698 . 0 0 "[ . 1 . 2]" 1
1169 1 47 VAL H 1 48 LEU H . . 4.730 4.400 2.752 4.607 . 0 0 "[ . 1 . 2]" 1
1170 1 47 VAL HA 1 47 VAL MG1 . . 3.330 2.473 2.159 3.200 . 0 0 "[ . 1 . 2]" 1
1171 1 47 VAL HA 1 47 VAL MG2 . . 3.330 2.394 2.116 2.593 . 0 0 "[ . 1 . 2]" 1
1172 1 47 VAL HA 1 48 LEU H . . 3.300 2.237 2.181 3.090 . 0 0 "[ . 1 . 2]" 1
1173 1 47 VAL HA 1 48 LEU QB . . 4.220 3.953 3.743 3.982 . 0 0 "[ . 1 . 2]" 1
1174 1 47 VAL HA 1 114 TYR QE . . 4.590 3.941 3.618 4.290 . 0 0 "[ . 1 . 2]" 1
1175 1 47 VAL HB 1 48 LEU H . . 4.630 4.324 4.041 4.499 . 0 0 "[ . 1 . 2]" 1
1176 1 47 VAL QG 1 48 LEU H . . 3.520 2.837 2.424 3.754 0.234 20 0 "[ . 1 . 2]" 1
1177 1 47 VAL QG 1 114 TYR QE . . 5.150 4.167 3.626 4.515 . 0 0 "[ . 1 . 2]" 1
1178 1 47 VAL MG1 1 48 LEU H . . 4.530 3.048 2.443 4.408 . 0 0 "[ . 1 . 2]" 1
1179 1 47 VAL MG2 1 48 LEU H . . 4.530 4.023 2.830 4.298 . 0 0 "[ . 1 . 2]" 1
1180 1 48 LEU H 1 48 LEU HB2 . . 3.680 2.035 1.955 2.931 . 0 0 "[ . 1 . 2]" 1
1181 1 48 LEU H 1 48 LEU HB3 . . 3.680 3.114 2.909 3.903 0.223 20 0 "[ . 1 . 2]" 1
1182 1 48 LEU H 1 48 LEU QD . . 3.610 3.029 2.848 3.259 . 0 0 "[ . 1 . 2]" 1
1183 1 48 LEU H 1 48 LEU HG . . 4.750 4.448 4.322 4.802 0.052 20 0 "[ . 1 . 2]" 1
1184 1 48 LEU H 1 49 ASP H . . 4.860 4.643 4.375 4.674 . 0 0 "[ . 1 . 2]" 1
1185 1 48 LEU H 1 72 LEU QD . . 4.310 3.380 2.708 3.816 . 0 0 "[ . 1 . 2]" 1
1186 1 48 LEU H 1 114 TYR QE . . 4.960 2.990 2.569 4.398 . 0 0 "[ . 1 . 2]" 1
1187 1 48 LEU HA 1 48 LEU QD . . 3.080 1.979 1.888 2.069 . 0 0 "[ . 1 . 2]" 1
1188 1 48 LEU HA 1 48 LEU HG . . 3.790 3.631 3.575 3.645 . 0 0 "[ . 1 . 2]" 1
1189 1 48 LEU HA 1 49 ASP H . . 2.880 2.311 2.259 2.394 . 0 0 "[ . 1 . 2]" 1
1190 1 48 LEU HA 1 50 LYS H . . 4.560 4.154 3.771 4.281 . 0 0 "[ . 1 . 2]" 1
1191 1 48 LEU HA 1 72 LEU QD . . 3.350 2.451 1.822 2.865 . 0 0 "[ . 1 . 2]" 1
1192 1 48 LEU QB 1 48 LEU QD . . 2.500 1.987 1.884 2.032 . 0 0 "[ . 1 . 2]" 1
1193 1 48 LEU QB 1 48 LEU HG . . 2.620 2.160 2.150 2.164 . 0 0 "[ . 1 . 2]" 1
1194 1 48 LEU QB 1 49 ASP H . . 3.520 3.343 3.105 3.495 . 0 0 "[ . 1 . 2]" 1
1195 1 48 LEU QB 1 50 LYS H . . 3.530 2.835 2.187 3.054 . 0 0 "[ . 1 . 2]" 1
1196 1 48 LEU QB 1 72 LEU QD . . 3.580 3.375 2.971 3.624 0.044 4 0 "[ . 1 . 2]" 1
1197 1 48 LEU QB 1 114 TYR QE . . 4.990 2.431 2.017 3.041 . 0 0 "[ . 1 . 2]" 1
1198 1 48 LEU HB2 1 48 LEU QD . . 3.240 2.149 1.961 2.305 . 0 0 "[ . 1 . 2]" 1
1199 1 48 LEU HB3 1 48 LEU QD . . 3.240 2.360 2.112 2.471 . 0 0 "[ . 1 . 2]" 1
1200 1 48 LEU QD 1 49 ASP H . . 3.510 1.746 1.720 1.854 . 0 0 "[ . 1 . 2]" 1
1201 1 48 LEU QD 1 49 ASP HA . . 4.060 3.809 3.738 3.999 . 0 0 "[ . 1 . 2]" 1
1202 1 48 LEU QD 1 50 LYS H . . 3.900 2.007 1.909 2.194 . 0 0 "[ . 1 . 2]" 1
1203 1 48 LEU QD 1 68 ILE HA . . 4.160 3.201 2.875 3.581 . 0 0 "[ . 1 . 2]" 1
1204 1 48 LEU QD 1 68 ILE MD . . 3.180 2.272 2.082 2.460 . 0 0 "[ . 1 . 2]" 1
1205 1 48 LEU QD 1 68 ILE MG . . 3.130 2.158 1.867 2.441 . 0 0 "[ . 1 . 2]" 1
1206 1 48 LEU QD 1 71 ARG H . . 4.680 4.129 3.566 4.493 . 0 0 "[ . 1 . 2]" 1
1207 1 48 LEU QD 1 71 ARG HD2 . . 4.790 3.676 3.271 4.162 . 0 0 "[ . 1 . 2]" 1
1208 1 48 LEU QD 1 71 ARG QD . . 3.450 2.902 1.941 3.552 0.102 18 0 "[ . 1 . 2]" 1
1209 1 48 LEU QD 1 71 ARG HD3 . . 4.790 3.129 1.953 4.019 . 0 0 "[ . 1 . 2]" 1
1210 1 48 LEU QD 1 71 ARG QG . . 4.760 2.815 1.877 3.631 . 0 0 "[ . 1 . 2]" 1
1211 1 48 LEU QD 1 72 LEU H . . 4.340 3.467 3.124 3.908 . 0 0 "[ . 1 . 2]" 1
1212 1 48 LEU QD 1 72 LEU HA . . 4.020 3.684 3.430 4.080 0.060 4 0 "[ . 1 . 2]" 1
1213 1 48 LEU QD 1 72 LEU QD . . 2.890 1.832 1.654 2.093 . 0 0 "[ . 1 . 2]" 1
1214 1 48 LEU QD 1 73 GLN H . . 5.440 5.218 4.879 5.471 0.031 5 0 "[ . 1 . 2]" 1
1215 1 48 LEU QD 1 114 TYR QE . . 4.450 3.093 2.513 3.635 . 0 0 "[ . 1 . 2]" 1
1216 1 48 LEU HG 1 49 ASP H . . 4.280 4.189 4.085 4.295 0.015 10 0 "[ . 1 . 2]" 1
1217 1 48 LEU HG 1 50 LYS H . . 3.840 3.970 3.791 4.088 0.248 20 0 "[ . 1 . 2]" 1
1218 1 48 LEU HG 1 68 ILE MG . . 5.140 3.885 3.420 4.398 . 0 0 "[ . 1 . 2]" 1
1219 1 48 LEU HG 1 72 LEU QD . . 5.430 4.048 3.707 4.388 . 0 0 "[ . 1 . 2]" 1
1220 1 48 LEU HG 1 114 TYR QE . . 5.340 4.181 3.578 4.856 . 0 0 "[ . 1 . 2]" 1
1221 1 49 ASP H 1 49 ASP QB . . 3.190 2.236 2.006 2.726 . 0 0 "[ . 1 . 2]" 1
1222 1 49 ASP H 1 50 LYS H . . 3.450 2.784 2.496 2.940 . 0 0 "[ . 1 . 2]" 1
1223 1 49 ASP H 1 68 ILE MD . . 5.500 5.511 5.469 5.554 0.054 5 0 "[ . 1 . 2]" 1
1224 1 49 ASP H 1 72 LEU QD . . 4.430 3.969 3.201 4.396 . 0 0 "[ . 1 . 2]" 1
1225 1 49 ASP HA 1 49 ASP QB . . 2.690 2.402 2.184 2.513 . 0 0 "[ . 1 . 2]" 1
1226 1 49 ASP QB 1 50 LYS H . . 4.180 2.597 2.382 3.294 . 0 0 "[ . 1 . 2]" 1
1227 1 50 LYS H 1 50 LYS HD2 . . 4.710 2.992 1.928 4.487 . 0 0 "[ . 1 . 2]" 1
1228 1 50 LYS H 1 50 LYS QD . . 3.940 2.565 1.918 3.485 . 0 0 "[ . 1 . 2]" 1
1229 1 50 LYS H 1 50 LYS HD3 . . 4.710 3.362 2.583 4.014 . 0 0 "[ . 1 . 2]" 1
1230 1 50 LYS H 1 50 LYS HG2 . . 4.470 3.202 2.043 4.584 0.114 6 0 "[ . 1 . 2]" 1
1231 1 50 LYS H 1 50 LYS QG . . 3.910 2.842 2.033 3.573 . 0 0 "[ . 1 . 2]" 1
1232 1 50 LYS H 1 50 LYS HG3 . . 4.470 3.916 3.271 4.317 . 0 0 "[ . 1 . 2]" 1
1233 1 50 LYS H 1 51 THR H . . 4.940 4.346 4.292 4.441 . 0 0 "[ . 1 . 2]" 1
1234 1 50 LYS HA 1 50 LYS QD . . 3.970 3.701 3.461 3.899 . 0 0 "[ . 1 . 2]" 1
1235 1 50 LYS HA 1 50 LYS QE . . 5.100 4.774 4.236 5.409 0.309 12 0 "[ . 1 . 2]" 1
1236 1 50 LYS HA 1 52 LYS H . . 4.720 4.397 4.058 4.594 . 0 0 "[ . 1 . 2]" 1
1237 1 50 LYS QB 1 50 LYS QD . . 3.200 2.316 1.940 2.617 . 0 0 "[ . 1 . 2]" 1
1238 1 50 LYS QB 1 50 LYS QE . . 4.170 2.609 1.864 3.687 . 0 0 "[ . 1 . 2]" 1
1239 1 50 LYS QB 1 50 LYS QG . . 2.390 2.048 2.044 2.058 . 0 0 "[ . 1 . 2]" 1
1240 1 50 LYS QB 1 51 THR H . . 3.820 2.100 1.894 2.545 . 0 0 "[ . 1 . 2]" 1
1241 1 50 LYS QB 1 52 LYS H . . 4.150 2.739 2.459 2.926 . 0 0 "[ . 1 . 2]" 1
1242 1 50 LYS HB2 1 52 LYS H . . 4.870 3.045 2.477 4.004 . 0 0 "[ . 1 . 2]" 1
1243 1 50 LYS HB3 1 52 LYS H . . 4.870 3.967 2.636 4.707 . 0 0 "[ . 1 . 2]" 1
1244 1 50 LYS QD 1 50 LYS QG . . 2.400 2.041 2.008 2.107 . 0 0 "[ . 1 . 2]" 1
1245 1 50 LYS QD 1 51 THR H . . 5.340 4.760 4.253 5.141 . 0 0 "[ . 1 . 2]" 1
1246 1 50 LYS QD 2 9 THR HA . . 5.340 5.113 4.525 5.420 0.080 5 0 "[ . 1 . 2]" 1
1247 1 50 LYS QD 2 9 THR HB . . 5.280 3.304 2.485 4.555 . 0 0 "[ . 1 . 2]" 1
1248 1 50 LYS QD 2 9 THR MG . . 3.930 2.912 1.974 3.753 . 0 0 "[ . 1 . 2]" 1
1249 1 50 LYS HD2 2 9 THR MG . . 4.570 4.271 3.476 4.866 0.296 17 0 "[ . 1 . 2]" 1
1250 1 50 LYS HD3 2 9 THR MG . . 4.570 3.016 1.984 4.427 . 0 0 "[ . 1 . 2]" 1
1251 1 50 LYS QE 2 9 THR HA . . 4.400 3.679 3.073 4.041 . 0 0 "[ . 1 . 2]" 1
1252 1 50 LYS QE 2 9 THR MG . . 3.720 2.865 1.890 3.497 . 0 0 "[ . 1 . 2]" 1
1253 1 50 LYS QG 1 51 THR H . . 4.700 3.335 2.541 3.943 . 0 0 "[ . 1 . 2]" 1
1254 1 50 LYS QG 1 52 LYS H . . 4.760 3.521 2.325 4.690 . 0 0 "[ . 1 . 2]" 1
1255 1 50 LYS HG2 1 52 LYS H . . 5.500 4.002 2.474 5.082 . 0 0 "[ . 1 . 2]" 1
1256 1 50 LYS HG3 1 52 LYS H . . 5.500 3.996 2.800 5.519 0.019 14 0 "[ . 1 . 2]" 1
1257 1 51 THR H 1 51 THR HB . . 4.060 2.726 2.580 3.537 . 0 0 "[ . 1 . 2]" 1
1258 1 51 THR H 1 51 THR MG . . 4.770 3.794 3.080 3.863 . 0 0 "[ . 1 . 2]" 1
1259 1 51 THR H 1 52 LYS H . . 3.150 1.919 1.876 2.061 . 0 0 "[ . 1 . 2]" 1
1260 1 51 THR HB 1 52 LYS H . . 3.730 3.073 2.761 3.753 0.023 2 0 "[ . 1 . 2]" 1
1261 1 51 THR HB 1 52 LYS QB . . 4.820 4.598 4.297 5.235 0.415 2 0 "[ . 1 . 2]" 1
1262 1 51 THR HB 1 52 LYS QG . . 5.340 3.032 2.659 3.519 . 0 0 "[ . 1 . 2]" 1
1263 1 51 THR MG 1 52 LYS H . . 4.240 4.123 3.813 4.232 . 0 0 "[ . 1 . 2]" 1
1264 1 51 THR MG 1 53 PHE QD . . 4.540 4.614 4.211 5.213 0.673 5 3 "[ * + 1 . -2]" 1
1265 1 52 LYS H 1 52 LYS HB2 . . 3.690 2.556 2.368 3.484 . 0 0 "[ . 1 . 2]" 1
1266 1 52 LYS H 1 52 LYS HB3 . . 3.690 3.608 3.404 3.703 0.013 10 0 "[ . 1 . 2]" 1
1267 1 52 LYS H 1 52 LYS QG . . 3.960 2.473 1.842 2.868 . 0 0 "[ . 1 . 2]" 1
1268 1 52 LYS H 1 53 PHE H . . 4.830 4.519 4.442 4.565 . 0 0 "[ . 1 . 2]" 1
1269 1 52 LYS HA 1 53 PHE H . . 3.380 2.219 2.183 2.331 . 0 0 "[ . 1 . 2]" 1
1270 1 52 LYS HA 1 53 PHE HA . . 4.540 4.391 4.370 4.426 . 0 0 "[ . 1 . 2]" 1
1271 1 52 LYS QB 1 53 PHE H . . 4.330 3.151 2.841 3.326 . 0 0 "[ . 1 . 2]" 1
1272 1 52 LYS QB 2 5 ASP QB . . 4.510 4.903 4.284 5.934 1.424 19 8 "[** * 1 * * *-+2]" 1
1273 1 52 LYS QB 2 8 TRP HE3 . . 5.190 2.589 2.299 2.853 . 0 0 "[ . 1 . 2]" 1
1274 1 52 LYS QD 2 5 ASP QB . . 4.700 4.121 3.631 4.407 . 0 0 "[ . 1 . 2]" 1
1275 1 52 LYS QD 2 8 TRP H . . 5.500 5.130 4.634 5.302 . 0 0 "[ . 1 . 2]" 1
1276 1 52 LYS QD 2 8 TRP HA . . 4.510 4.579 4.251 4.802 0.292 2 0 "[ . 1 . 2]" 1
1277 1 52 LYS QD 2 8 TRP QB . . 4.350 3.478 3.106 3.638 . 0 0 "[ . 1 . 2]" 1
1278 1 52 LYS QD 2 8 TRP HE1 . . 4.900 3.265 3.066 3.550 . 0 0 "[ . 1 . 2]" 1
1279 1 52 LYS QD 2 8 TRP HH2 . . 4.850 4.214 3.977 4.511 . 0 0 "[ . 1 . 2]" 1
1280 1 52 LYS QD 2 8 TRP HZ3 . . 5.340 4.329 4.119 4.543 . 0 0 "[ . 1 . 2]" 1
1281 1 52 LYS QD 2 9 THR H . . 5.060 5.663 5.257 6.244 1.184 10 12 "[ **-. **+*** *** 2]" 1
1282 1 52 LYS QE 2 5 ASP QB . . 4.420 2.442 1.947 2.825 . 0 0 "[ . 1 . 2]" 1
1283 1 52 LYS QE 2 8 TRP HA . . 5.260 3.746 3.239 4.328 . 0 0 "[ . 1 . 2]" 1
1284 1 52 LYS QE 2 8 TRP QB . . 4.760 3.765 3.473 4.202 . 0 0 "[ . 1 . 2]" 1
1285 1 52 LYS QE 2 8 TRP HE1 . . 4.470 3.013 2.400 3.674 . 0 0 "[ . 1 . 2]" 1
1286 1 52 LYS QE 2 8 TRP HE3 . . 4.660 5.259 4.983 5.372 0.712 12 17 "[ ***** *-**+*** ****]" 1
1287 1 52 LYS QE 2 8 TRP HZ2 . . 4.780 4.374 3.962 4.831 0.051 3 0 "[ . 1 . 2]" 1
1288 1 52 LYS QG 1 53 PHE H . . 4.430 4.241 4.084 4.427 . 0 0 "[ . 1 . 2]" 1
1289 1 52 LYS QG 2 8 TRP HA . . 4.570 4.738 3.737 4.926 0.356 6 0 "[ . 1 . 2]" 1
1290 1 52 LYS QG 2 8 TRP HE3 . . 5.090 4.512 4.169 4.751 . 0 0 "[ . 1 . 2]" 1
1291 1 53 PHE H 1 53 PHE QB . . 3.790 2.509 2.429 2.583 . 0 0 "[ . 1 . 2]" 1
1292 1 53 PHE H 1 53 PHE QD . . 3.740 2.703 2.328 3.402 . 0 0 "[ . 1 . 2]" 1
1293 1 53 PHE H 1 54 LEU H . . 4.660 4.342 4.264 4.433 . 0 0 "[ . 1 . 2]" 1
1294 1 53 PHE H 2 8 TRP HE3 . . 4.210 2.662 2.489 3.006 . 0 0 "[ . 1 . 2]" 1
1295 1 53 PHE H 2 11 LEU QD . . 5.440 4.610 4.279 5.249 . 0 0 "[ . 1 . 2]" 1
1296 1 53 PHE HA 1 53 PHE QD . . 3.930 3.125 2.658 3.271 . 0 0 "[ . 1 . 2]" 1
1297 1 53 PHE HA 1 54 LEU H . . 3.340 2.255 2.205 2.330 . 0 0 "[ . 1 . 2]" 1
1298 1 53 PHE HA 2 8 TRP HA . . 5.500 5.518 5.469 5.573 0.073 3 0 "[ . 1 . 2]" 1
1299 1 53 PHE HA 2 9 THR H . . 4.060 2.837 2.584 3.582 . 0 0 "[ . 1 . 2]" 1
1300 1 53 PHE HA 2 9 THR HB . . 4.380 3.130 1.997 4.199 . 0 0 "[ . 1 . 2]" 1
1301 1 53 PHE HA 2 9 THR MG . . 4.090 2.303 1.771 3.393 . 0 0 "[ . 1 . 2]" 1
1302 1 53 PHE HA 2 11 LEU H . . 5.500 5.397 5.066 5.541 0.041 16 0 "[ . 1 . 2]" 1
1303 1 53 PHE HA 2 11 LEU MD1 . . 4.760 4.259 3.925 4.770 0.010 17 0 "[ . 1 . 2]" 1
1304 1 53 PHE HA 2 11 LEU QD . . 4.170 2.963 2.339 3.717 . 0 0 "[ . 1 . 2]" 1
1305 1 53 PHE HA 2 11 LEU MD2 . . 4.760 3.052 2.350 4.035 . 0 0 "[ . 1 . 2]" 1
1306 1 53 PHE HA 2 11 LEU HG . . 5.010 4.047 3.527 4.449 . 0 0 "[ . 1 . 2]" 1
1307 1 53 PHE QB 1 54 LEU H . . 3.390 3.089 2.838 3.309 . 0 0 "[ . 1 . 2]" 1
1308 1 53 PHE QB 1 55 VAL HB . . 5.060 5.195 4.030 5.720 0.660 11 13 "[- *.* ***+**** **]" 1
1309 1 53 PHE QB 1 55 VAL QG . . 3.810 3.209 2.801 3.911 0.101 5 0 "[ . 1 . 2]" 1
1310 1 53 PHE QB 2 9 THR HB . . 5.500 4.776 3.665 5.513 0.013 12 0 "[ . 1 . 2]" 1
1311 1 53 PHE QB 2 9 THR MG . . 4.410 3.146 2.665 3.928 . 0 0 "[ . 1 . 2]" 1
1312 1 53 PHE QB 2 11 LEU MD1 . . 3.810 2.186 1.909 2.769 . 0 0 "[ . 1 . 2]" 1
1313 1 53 PHE QB 2 11 LEU QD . . 3.130 1.948 1.720 2.413 . 0 0 "[ . 1 . 2]" 1
1314 1 53 PHE QB 2 11 LEU MD2 . . 3.810 2.298 1.931 3.015 . 0 0 "[ . 1 . 2]" 1
1315 1 53 PHE QB 2 11 LEU HG . . 4.040 2.580 2.117 3.003 . 0 0 "[ . 1 . 2]" 1
1316 1 53 PHE QD 1 54 LEU H . . 4.320 4.308 3.903 4.509 0.189 1 0 "[ . 1 . 2]" 1
1317 1 53 PHE QD 1 55 VAL QG . . 3.990 4.765 4.359 5.445 1.455 16 14 "[ **-** ******.+** 2]" 1
1318 1 53 PHE QD 1 112 MET ME . . 5.500 5.706 5.213 5.997 0.497 16 0 "[ . 1 . 2]" 1
1319 1 53 PHE QD 2 9 THR MG . . 4.180 2.388 1.945 3.001 . 0 0 "[ . 1 . 2]" 1
1320 1 53 PHE QD 2 11 LEU HB2 . . 5.190 5.485 5.390 5.549 0.359 16 0 "[ . 1 . 2]" 1
1321 1 53 PHE QD 2 11 LEU HB3 . . 5.190 5.161 4.723 5.550 0.360 6 0 "[ . 1 . 2]" 1
1322 1 53 PHE QD 2 11 LEU MD1 . . 3.210 2.672 2.056 3.244 0.034 14 0 "[ . 1 . 2]" 1
1323 1 53 PHE QD 2 11 LEU QD . . 2.650 1.850 1.742 1.967 . 0 0 "[ . 1 . 2]" 1
1324 1 53 PHE QD 2 11 LEU MD2 . . 3.210 1.904 1.759 2.022 . 0 0 "[ . 1 . 2]" 1
1325 1 53 PHE QD 2 11 LEU HG . . 3.640 3.767 3.375 4.093 0.453 15 0 "[ . 1 . 2]" 1
1326 1 53 PHE QE 1 68 ILE MD . . 4.490 2.979 1.946 3.667 . 0 0 "[ . 1 . 2]" 1
1327 1 53 PHE QE 1 71 ARG HD2 . . 4.690 3.557 2.245 4.759 0.069 18 0 "[ . 1 . 2]" 1
1328 1 53 PHE QE 1 71 ARG HD3 . . 4.690 2.814 1.997 4.184 . 0 0 "[ . 1 . 2]" 1
1329 1 54 LEU H 1 54 LEU QB . . 3.380 2.300 2.186 2.396 . 0 0 "[ . 1 . 2]" 1
1330 1 54 LEU H 1 54 LEU MD1 . . 4.790 4.118 3.958 4.250 . 0 0 "[ . 1 . 2]" 1
1331 1 54 LEU H 1 54 LEU QD . . 4.160 3.186 2.709 3.688 . 0 0 "[ . 1 . 2]" 1
1332 1 54 LEU H 1 54 LEU MD2 . . 4.790 3.395 2.741 4.148 . 0 0 "[ . 1 . 2]" 1
1333 1 54 LEU H 1 54 LEU HG . . 4.770 3.022 2.643 3.443 . 0 0 "[ . 1 . 2]" 1
1334 1 54 LEU H 1 55 VAL H . . 5.160 4.205 4.100 4.273 . 0 0 "[ . 1 . 2]" 1
1335 1 54 LEU H 1 55 VAL HA . . 4.530 4.848 4.657 4.978 0.448 14 0 "[ . 1 . 2]" 1
1336 1 54 LEU H 1 55 VAL HB . . 5.500 6.220 5.409 6.659 1.159 14 14 "[* *.********+* *-]" 1
1337 1 54 LEU H 1 55 VAL QG . . 4.360 4.345 3.893 4.920 0.560 16 6 "[ *- * 1 .+** 2]" 1
1338 1 54 LEU H 2 9 THR H . . 4.630 3.527 3.076 3.821 . 0 0 "[ . 1 . 2]" 1
1339 1 54 LEU H 2 9 THR HB . . 5.060 4.376 3.407 5.103 0.043 5 0 "[ . 1 . 2]" 1
1340 1 54 LEU H 2 11 LEU QD . . 3.740 2.706 1.941 3.684 . 0 0 "[ . 1 . 2]" 1
1341 1 54 LEU HA 1 54 LEU MD1 . . 4.280 3.701 3.470 3.839 . 0 0 "[ . 1 . 2]" 1
1342 1 54 LEU HA 1 54 LEU QD . . 3.180 1.956 1.873 2.140 . 0 0 "[ . 1 . 2]" 1
1343 1 54 LEU HA 1 54 LEU MD2 . . 4.280 1.963 1.880 2.151 . 0 0 "[ . 1 . 2]" 1
1344 1 54 LEU HA 1 55 VAL H . . 3.320 2.202 2.198 2.205 . 0 0 "[ . 1 . 2]" 1
1345 1 54 LEU HA 1 55 VAL HB . . 5.500 4.857 4.813 4.910 . 0 0 "[ . 1 . 2]" 1
1346 1 54 LEU HA 1 55 VAL QG . . 4.470 3.457 3.383 3.547 . 0 0 "[ . 1 . 2]" 1
1347 1 54 LEU QB 1 54 LEU QD . . 2.770 1.961 1.922 2.018 . 0 0 "[ . 1 . 2]" 1
1348 1 54 LEU QB 1 55 VAL H . . 4.520 3.658 3.626 3.699 . 0 0 "[ . 1 . 2]" 1
1349 1 54 LEU QB 1 55 VAL HA . . 5.070 4.480 4.403 4.527 . 0 0 "[ . 1 . 2]" 1
1350 1 54 LEU QB 2 10 HIS HA . . 4.760 2.360 2.075 2.726 . 0 0 "[ . 1 . 2]" 1
1351 1 54 LEU QD 1 55 VAL H . . 4.440 3.542 3.354 3.696 . 0 0 "[ . 1 . 2]" 1
1352 1 54 LEU QD 2 8 TRP H . . 4.890 2.721 2.526 2.969 . 0 0 "[ . 1 . 2]" 1
1353 1 54 LEU QD 2 8 TRP HA . . 5.440 4.364 4.085 4.693 . 0 0 "[ . 1 . 2]" 1
1354 1 54 LEU QD 2 8 TRP QB . . 3.750 2.396 1.902 3.013 . 0 0 "[ . 1 . 2]" 1
1355 1 54 LEU QD 2 8 TRP HD1 . . 4.870 4.145 3.810 4.550 . 0 0 "[ . 1 . 2]" 1
1356 1 54 LEU QD 2 8 TRP HE3 . . 3.480 2.193 1.849 2.723 . 0 0 "[ . 1 . 2]" 1
1357 1 54 LEU QD 2 9 THR H . . 4.590 3.705 2.685 4.325 . 0 0 "[ . 1 . 2]" 1
1358 1 54 LEU QD 2 10 HIS HA . . 4.300 3.786 3.330 4.232 . 0 0 "[ . 1 . 2]" 1
1359 1 54 LEU QD 2 10 HIS HE1 . . 5.440 5.778 5.044 5.918 0.478 10 0 "[ . 1 . 2]" 1
1360 1 54 LEU QD 2 11 LEU H . . 5.440 4.803 4.587 5.060 . 0 0 "[ . 1 . 2]" 1
1361 1 54 LEU MD1 2 8 TRP HE1 . . 5.500 5.477 5.298 5.530 0.030 8 0 "[ . 1 . 2]" 1
1362 1 54 LEU MD1 2 8 TRP HE3 . . 4.130 4.270 4.042 4.395 0.265 7 0 "[ . 1 . 2]" 1
1363 1 54 LEU MD1 2 10 HIS HA . . 5.500 3.934 3.391 4.463 . 0 0 "[ . 1 . 2]" 1
1364 1 54 LEU MD2 2 8 TRP HE1 . . 5.500 5.034 4.669 5.531 0.031 19 0 "[ . 1 . 2]" 1
1365 1 54 LEU MD2 2 8 TRP HE3 . . 4.130 2.207 1.851 2.759 . 0 0 "[ . 1 . 2]" 1
1366 1 54 LEU MD2 2 10 HIS HA . . 5.500 5.014 4.722 5.416 . 0 0 "[ . 1 . 2]" 1
1367 1 54 LEU HG 1 55 VAL H . . 5.500 5.353 5.008 5.624 0.124 7 0 "[ . 1 . 2]" 1
1368 1 54 LEU HG 2 8 TRP HB2 . . 5.500 2.137 1.964 2.358 . 0 0 "[ . 1 . 2]" 1
1369 1 54 LEU HG 2 8 TRP HB3 . . 5.500 3.826 3.519 4.090 . 0 0 "[ . 1 . 2]" 1
1370 1 54 LEU HG 2 8 TRP HE3 . . 4.830 3.343 2.590 4.026 . 0 0 "[ . 1 . 2]" 1
1371 1 55 VAL H 1 55 VAL HB . . 3.800 2.759 2.642 3.019 . 0 0 "[ . 1 . 2]" 1
1372 1 55 VAL H 1 55 VAL MG1 . . 3.910 3.191 1.852 3.768 . 0 0 "[ . 1 . 2]" 1
1373 1 55 VAL H 1 55 VAL QG . . 3.320 1.974 1.847 2.147 . 0 0 "[ . 1 . 2]" 1
1374 1 55 VAL H 1 55 VAL MG2 . . 3.910 2.523 1.894 3.705 . 0 0 "[ . 1 . 2]" 1
1375 1 55 VAL H 1 56 PRO HD2 . . 5.040 5.028 5.023 5.032 . 0 0 "[ . 1 . 2]" 1
1376 1 55 VAL H 1 96 ILE MD . . 5.390 5.069 4.801 5.328 . 0 0 "[ . 1 . 2]" 1
1377 1 55 VAL H 1 96 ILE HG12 . . 5.500 4.920 4.529 5.326 . 0 0 "[ . 1 . 2]" 1
1378 1 55 VAL H 2 9 THR MG . . 5.500 6.105 5.477 6.963 1.463 1 10 "[+ -** ** *** * 2]" 1
1379 1 55 VAL H 2 11 LEU QD . . 4.800 4.034 3.270 4.653 . 0 0 "[ . 1 . 2]" 1
1380 1 55 VAL H 2 11 LEU HG . . 5.500 4.057 3.583 4.614 . 0 0 "[ . 1 . 2]" 1
1381 1 55 VAL HA 1 55 VAL MG1 . . 3.520 2.483 2.134 3.199 . 0 0 "[ . 1 . 2]" 1
1382 1 55 VAL HA 1 55 VAL MG2 . . 3.520 2.558 2.529 2.594 . 0 0 "[ . 1 . 2]" 1
1383 1 55 VAL HA 1 56 PRO HD2 . . 3.840 2.522 2.503 2.543 . 0 0 "[ . 1 . 2]" 1
1384 1 55 VAL HA 1 56 PRO HD3 . . 3.690 1.927 1.923 1.934 . 0 0 "[ . 1 . 2]" 1
1385 1 55 VAL HA 2 11 LEU QB . . 4.240 2.189 1.984 2.705 . 0 0 "[ . 1 . 2]" 1
1386 1 55 VAL HB 1 96 ILE MD . . 3.460 3.296 3.118 3.474 0.014 3 0 "[ . 1 . 2]" 1
1387 1 55 VAL HB 1 96 ILE MG . . 4.120 3.091 2.248 4.284 0.164 16 0 "[ . 1 . 2]" 1
1388 1 55 VAL QG 1 56 PRO HA . . 4.200 4.056 3.625 4.287 0.087 11 0 "[ . 1 . 2]" 1
1389 1 55 VAL QG 1 56 PRO HD2 . . 3.440 1.773 1.754 1.842 . 0 0 "[ . 1 . 2]" 1
1390 1 55 VAL QG 1 56 PRO HD3 . . 3.640 2.708 2.587 2.933 . 0 0 "[ . 1 . 2]" 1
1391 1 55 VAL QG 1 56 PRO HG2 . . 3.680 3.495 3.410 3.531 . 0 0 "[ . 1 . 2]" 1
1392 1 55 VAL QG 1 96 ILE HB . . 3.920 2.968 2.781 3.200 . 0 0 "[ . 1 . 2]" 1
1393 1 55 VAL QG 2 11 LEU QB . . 4.590 2.943 2.565 3.420 . 0 0 "[ . 1 . 2]" 1
1394 1 55 VAL QG 2 11 LEU QD . . 2.570 2.469 1.822 3.328 0.758 3 3 "[ + - 1 . * 2]" 1
1395 1 55 VAL MG1 1 56 PRO HD2 . . 4.480 2.466 1.756 4.149 . 0 0 "[ . 1 . 2]" 1
1396 1 55 VAL MG1 1 56 PRO HD3 . . 4.730 3.222 2.614 4.538 . 0 0 "[ . 1 . 2]" 1
1397 1 55 VAL MG2 1 56 PRO HD2 . . 4.480 3.333 1.777 4.024 . 0 0 "[ . 1 . 2]" 1
1398 1 55 VAL MG2 1 56 PRO HD3 . . 4.730 3.741 2.889 4.132 . 0 0 "[ . 1 . 2]" 1
1399 1 56 PRO HA 1 57 ASP H . . 3.300 2.168 2.149 2.193 . 0 0 "[ . 1 . 2]" 1
1400 1 56 PRO HA 1 58 HIS H . . 4.490 4.002 3.329 4.259 . 0 0 "[ . 1 . 2]" 1
1401 1 56 PRO HA 1 59 VAL MG1 . . 5.140 4.945 4.345 5.172 0.032 17 0 "[ . 1 . 2]" 1
1402 1 56 PRO HA 1 59 VAL QG . . 4.490 4.147 3.829 4.319 . 0 0 "[ . 1 . 2]" 1
1403 1 56 PRO HA 1 59 VAL MG2 . . 5.140 4.461 4.170 4.739 . 0 0 "[ . 1 . 2]" 1
1404 1 56 PRO HB2 1 57 ASP H . . 4.450 3.604 3.457 3.779 . 0 0 "[ . 1 . 2]" 1
1405 1 56 PRO HB2 1 57 ASP HA . . 5.360 4.787 4.710 4.873 . 0 0 "[ . 1 . 2]" 1
1406 1 56 PRO HB2 1 58 HIS H . . 4.170 2.857 2.325 3.250 . 0 0 "[ . 1 . 2]" 1
1407 1 56 PRO HB2 1 58 HIS HE1 . . 3.270 2.964 2.759 3.236 . 0 0 "[ . 1 . 2]" 1
1408 1 56 PRO HB2 1 59 VAL H . . 4.800 4.206 2.832 4.719 . 0 0 "[ . 1 . 2]" 1
1409 1 56 PRO HB2 1 59 VAL MG1 . . 4.370 2.735 1.968 3.152 . 0 0 "[ . 1 . 2]" 1
1410 1 56 PRO HB2 1 59 VAL QG . . 3.460 2.577 1.941 2.859 . 0 0 "[ . 1 . 2]" 1
1411 1 56 PRO HB2 1 59 VAL MG2 . . 4.370 3.200 2.788 3.454 . 0 0 "[ . 1 . 2]" 1
1412 1 56 PRO HB3 1 57 ASP H . . 4.440 3.935 3.832 4.061 . 0 0 "[ . 1 . 2]" 1
1413 1 56 PRO HB3 1 58 HIS H . . 4.330 4.415 3.700 4.811 0.481 19 0 "[ . 1 . 2]" 1
1414 1 56 PRO HB3 1 58 HIS HE1 . . 3.920 3.514 2.674 4.055 0.135 13 0 "[ . 1 . 2]" 1
1415 1 56 PRO HB3 1 59 VAL MG1 . . 4.440 4.011 3.280 4.306 . 0 0 "[ . 1 . 2]" 1
1416 1 56 PRO HB3 1 59 VAL QG . . 3.810 3.693 3.143 3.862 0.052 5 0 "[ . 1 . 2]" 1
1417 1 56 PRO HB3 1 59 VAL MG2 . . 4.440 4.335 3.942 4.533 0.093 16 0 "[ . 1 . 2]" 1
1418 1 56 PRO HD2 1 59 VAL MG1 . . 4.180 4.002 3.740 4.211 0.031 12 0 "[ . 1 . 2]" 1
1419 1 56 PRO HD2 1 59 VAL QG . . 3.610 2.600 2.436 2.834 . 0 0 "[ . 1 . 2]" 1
1420 1 56 PRO HD2 1 59 VAL MG2 . . 4.180 2.635 2.463 2.881 . 0 0 "[ . 1 . 2]" 1
1421 1 56 PRO HD2 1 96 ILE MG . . 4.650 3.630 3.238 4.141 . 0 0 "[ . 1 . 2]" 1
1422 1 56 PRO HD2 2 11 LEU H . . 5.500 5.336 4.955 5.497 . 0 0 "[ . 1 . 2]" 1
1423 1 56 PRO HD2 2 11 LEU QD . . 5.390 4.267 3.725 4.669 . 0 0 "[ . 1 . 2]" 1
1424 1 56 PRO HD3 1 59 VAL QG . . 4.630 3.733 3.468 3.973 . 0 0 "[ . 1 . 2]" 1
1425 1 56 PRO HD3 2 11 LEU H . . 4.350 3.715 3.333 3.914 . 0 0 "[ . 1 . 2]" 1
1426 1 56 PRO HD3 2 11 LEU MD1 . . 4.860 4.164 3.524 4.756 . 0 0 "[ . 1 . 2]" 1
1427 1 56 PRO HD3 2 11 LEU QD . . 4.200 3.913 3.449 4.258 0.058 3 0 "[ . 1 . 2]" 1
1428 1 56 PRO HD3 2 11 LEU MD2 . . 4.860 4.862 4.398 5.013 0.153 5 0 "[ . 1 . 2]" 1
1429 1 56 PRO HG2 1 57 ASP H . . 5.350 5.305 5.230 5.383 0.033 6 0 "[ . 1 . 2]" 1
1430 1 56 PRO HG2 1 58 HIS HE1 . . 4.090 3.395 2.700 4.038 . 0 0 "[ . 1 . 2]" 1
1431 1 56 PRO HG2 1 59 VAL QG . . 3.130 1.948 1.674 2.207 . 0 0 "[ . 1 . 2]" 1
1432 1 56 PRO HG2 2 13 SER QB . . 5.340 4.167 3.491 4.947 . 0 0 "[ . 1 . 2]" 1
1433 1 56 PRO HG3 1 58 HIS H . . 5.230 5.296 5.069 5.505 0.275 19 0 "[ . 1 . 2]" 1
1434 1 56 PRO HG3 1 58 HIS HE1 . . 3.920 3.522 3.164 3.844 . 0 0 "[ . 1 . 2]" 1
1435 1 56 PRO HG3 1 59 VAL QG . . 4.320 3.146 2.681 3.399 . 0 0 "[ . 1 . 2]" 1
1436 1 56 PRO HG3 2 13 SER QB . . 5.340 4.272 3.638 5.217 . 0 0 "[ . 1 . 2]" 1
1437 1 57 ASP H 1 57 ASP HB2 . . 4.020 3.546 3.064 3.588 . 0 0 "[ . 1 . 2]" 1
1438 1 57 ASP H 1 57 ASP HB3 . . 3.790 2.465 2.079 2.516 . 0 0 "[ . 1 . 2]" 1
1439 1 57 ASP H 1 58 HIS H . . 3.740 3.328 2.579 3.635 . 0 0 "[ . 1 . 2]" 1
1440 1 57 ASP H 1 59 VAL H . . 4.880 5.051 4.214 5.404 0.524 19 1 "[ . 1 . +2]" 1
1441 1 57 ASP H 1 96 ILE MG . . 4.700 4.488 4.113 4.679 . 0 0 "[ . 1 . 2]" 1
1442 1 57 ASP HA 1 58 HIS HA . . 4.880 4.392 4.338 4.635 . 0 0 "[ . 1 . 2]" 1
1443 1 57 ASP HA 1 59 VAL H . . 4.610 3.529 3.438 3.639 . 0 0 "[ . 1 . 2]" 1
1444 1 57 ASP HA 1 96 ILE MG . . 3.140 2.698 2.383 2.856 . 0 0 "[ . 1 . 2]" 1
1445 1 57 ASP HB2 1 58 HIS H . . 4.720 4.483 4.401 4.575 . 0 0 "[ . 1 . 2]" 1
1446 1 57 ASP HB2 1 96 ILE MG . . 4.500 4.303 3.897 4.503 0.003 6 0 "[ . 1 . 2]" 1
1447 1 57 ASP HB2 1 97 SER H . . 5.270 4.821 4.430 5.289 0.019 19 0 "[ . 1 . 2]" 1
1448 1 57 ASP HB2 1 97 SER HA . . 4.070 4.031 3.420 4.406 0.336 10 0 "[ . 1 . 2]" 1
1449 1 57 ASP HB2 1 97 SER QB . . 4.040 2.513 1.970 2.957 . 0 0 "[ . 1 . 2]" 1
1450 1 57 ASP HB3 1 58 HIS H . . 4.700 4.622 3.715 4.717 0.017 19 0 "[ . 1 . 2]" 1
1451 1 57 ASP HB3 1 96 ILE MG . . 4.850 4.342 4.007 4.742 . 0 0 "[ . 1 . 2]" 1
1452 1 57 ASP HB3 1 97 SER QB . . 4.570 3.756 3.458 4.122 . 0 0 "[ . 1 . 2]" 1
1453 1 58 HIS H 1 58 HIS HB2 . . 3.940 3.914 3.640 4.018 0.078 10 0 "[ . 1 . 2]" 1
1454 1 58 HIS H 1 58 HIS QB . . 3.260 3.048 2.544 3.275 0.015 19 0 "[ . 1 . 2]" 1
1455 1 58 HIS H 1 58 HIS HB3 . . 3.940 3.187 2.597 3.508 . 0 0 "[ . 1 . 2]" 1
1456 1 58 HIS H 1 59 VAL H . . 3.120 1.925 1.850 2.188 . 0 0 "[ . 1 . 2]" 1
1457 1 58 HIS H 1 59 VAL MG1 . . 4.160 3.074 2.799 3.293 . 0 0 "[ . 1 . 2]" 1
1458 1 58 HIS H 1 59 VAL MG2 . . 4.160 2.877 2.636 3.793 . 0 0 "[ . 1 . 2]" 1
1459 1 58 HIS H 1 96 ILE MG . . 4.340 3.731 3.447 4.179 . 0 0 "[ . 1 . 2]" 1
1460 1 58 HIS HA 1 96 ILE MG . . 5.430 5.308 4.969 5.460 0.030 14 0 "[ . 1 . 2]" 1
1461 1 58 HIS QB 1 59 VAL H . . 4.510 4.036 3.817 4.088 . 0 0 "[ . 1 . 2]" 1
1462 1 58 HIS HB2 1 59 VAL H . . 5.160 4.567 4.317 4.635 . 0 0 "[ . 1 . 2]" 1
1463 1 58 HIS HB3 1 59 VAL H . . 5.160 4.503 4.193 4.661 . 0 0 "[ . 1 . 2]" 1
1464 1 58 HIS HE1 1 59 VAL QG . . 3.500 2.539 1.918 3.414 . 0 0 "[ . 1 . 2]" 1
1465 1 58 HIS HE1 2 13 SER QB . . 5.340 4.300 2.931 5.355 0.015 18 0 "[ . 1 . 2]" 1
1466 1 59 VAL H 1 59 VAL HB . . 3.890 3.845 3.725 3.915 0.025 6 0 "[ . 1 . 2]" 1
1467 1 59 VAL H 1 59 VAL MG1 . . 3.410 2.950 2.227 3.108 . 0 0 "[ . 1 . 2]" 1
1468 1 59 VAL H 1 59 VAL QG . . 2.970 2.263 2.029 2.398 . 0 0 "[ . 1 . 2]" 1
1469 1 59 VAL H 1 59 VAL MG2 . . 3.410 2.364 2.208 2.548 . 0 0 "[ . 1 . 2]" 1
1470 1 59 VAL H 1 60 ASN H . . 5.500 4.270 4.209 4.389 . 0 0 "[ . 1 . 2]" 1
1471 1 59 VAL H 1 96 ILE MG . . 3.640 3.224 2.895 3.555 . 0 0 "[ . 1 . 2]" 1
1472 1 59 VAL HA 1 59 VAL MG1 . . 3.320 2.353 2.255 2.579 . 0 0 "[ . 1 . 2]" 1
1473 1 59 VAL HA 1 59 VAL QG . . 2.900 2.296 2.213 2.474 . 0 0 "[ . 1 . 2]" 1
1474 1 59 VAL HA 1 59 VAL MG2 . . 3.320 3.211 3.180 3.220 . 0 0 "[ . 1 . 2]" 1
1475 1 59 VAL HA 1 60 ASN H . . 3.060 2.859 2.745 2.934 . 0 0 "[ . 1 . 2]" 1
1476 1 59 VAL HA 1 60 ASN QD . . 4.810 4.469 3.519 4.850 0.040 5 0 "[ . 1 . 2]" 1
1477 1 59 VAL HB 1 60 ASN H . . 3.950 1.975 1.920 2.272 . 0 0 "[ . 1 . 2]" 1
1478 1 59 VAL HB 1 60 ASN HA . . 5.170 4.617 4.540 4.859 . 0 0 "[ . 1 . 2]" 1
1479 1 59 VAL HB 1 60 ASN QD . . 5.340 3.632 2.929 4.658 . 0 0 "[ . 1 . 2]" 1
1480 1 59 VAL QG 1 60 ASN H . . 3.360 2.502 2.216 2.816 . 0 0 "[ . 1 . 2]" 1
1481 1 59 VAL QG 1 60 ASN HA . . 4.980 3.621 3.412 3.897 . 0 0 "[ . 1 . 2]" 1
1482 1 59 VAL QG 1 61 MET HA . . 5.310 4.263 4.140 4.472 . 0 0 "[ . 1 . 2]" 1
1483 1 59 VAL QG 1 63 GLU H . . 4.180 3.844 3.499 4.166 . 0 0 "[ . 1 . 2]" 1
1484 1 59 VAL QG 1 63 GLU QB . . 3.070 2.167 1.952 2.418 . 0 0 "[ . 1 . 2]" 1
1485 1 59 VAL QG 1 63 GLU QG . . 3.780 2.645 2.105 3.480 . 0 0 "[ . 1 . 2]" 1
1486 1 59 VAL QG 1 64 LEU H . . 3.890 3.717 3.308 3.907 0.017 14 0 "[ . 1 . 2]" 1
1487 1 59 VAL MG1 1 60 ASN H . . 4.070 3.654 3.585 3.850 . 0 0 "[ . 1 . 2]" 1
1488 1 59 VAL MG1 1 63 GLU H . . 5.500 5.456 5.196 5.559 0.059 17 0 "[ . 1 . 2]" 1
1489 1 59 VAL MG1 1 63 GLU HB2 . . 4.790 3.917 3.728 4.090 . 0 0 "[ . 1 . 2]" 1
1490 1 59 VAL MG1 1 63 GLU HB3 . . 4.790 3.903 3.541 4.093 . 0 0 "[ . 1 . 2]" 1
1491 1 59 VAL MG2 1 60 ASN H . . 4.070 2.556 2.233 2.945 . 0 0 "[ . 1 . 2]" 1
1492 1 59 VAL MG2 1 63 GLU H . . 5.500 3.934 3.541 4.303 . 0 0 "[ . 1 . 2]" 1
1493 1 59 VAL MG2 1 63 GLU HB2 . . 4.790 2.320 2.028 2.809 . 0 0 "[ . 1 . 2]" 1
1494 1 59 VAL MG2 1 63 GLU HB3 . . 4.790 2.737 2.437 3.128 . 0 0 "[ . 1 . 2]" 1
1495 1 60 ASN H 1 60 ASN HD21 . . 5.500 2.762 1.911 3.794 . 0 0 "[ . 1 . 2]" 1
1496 1 60 ASN H 1 60 ASN HD22 . . 5.500 3.092 2.590 3.994 . 0 0 "[ . 1 . 2]" 1
1497 1 60 ASN H 1 63 GLU H . . 4.890 3.357 3.188 3.463 . 0 0 "[ . 1 . 2]" 1
1498 1 60 ASN H 1 63 GLU HA . . 5.500 5.210 4.954 5.365 . 0 0 "[ . 1 . 2]" 1
1499 1 60 ASN H 1 63 GLU HB2 . . 4.580 2.911 2.219 3.141 . 0 0 "[ . 1 . 2]" 1
1500 1 60 ASN H 1 63 GLU QB . . 3.930 2.875 2.201 3.089 . 0 0 "[ . 1 . 2]" 1
1501 1 60 ASN H 1 63 GLU HB3 . . 4.580 4.465 3.669 4.608 0.028 3 0 "[ . 1 . 2]" 1
1502 1 60 ASN H 1 63 GLU QG . . 3.970 2.882 2.568 3.292 . 0 0 "[ . 1 . 2]" 1
1503 1 60 ASN HA 1 60 ASN QD . . 4.530 3.964 3.543 4.287 . 0 0 "[ . 1 . 2]" 1
1504 1 60 ASN HA 1 62 SER H . . 5.260 4.078 3.934 4.284 . 0 0 "[ . 1 . 2]" 1
1505 1 60 ASN HA 1 95 PRO HA . . 3.370 1.988 1.969 2.043 . 0 0 "[ . 1 . 2]" 1
1506 1 60 ASN HA 1 95 PRO HB2 . . 4.470 4.197 3.831 4.521 0.051 10 0 "[ . 1 . 2]" 1
1507 1 60 ASN HA 1 95 PRO QB . . 3.920 3.301 2.939 3.597 . 0 0 "[ . 1 . 2]" 1
1508 1 60 ASN HA 1 95 PRO HB3 . . 4.470 3.454 3.040 3.776 . 0 0 "[ . 1 . 2]" 1
1509 1 60 ASN HA 1 96 ILE H . . 3.770 2.481 1.953 2.735 . 0 0 "[ . 1 . 2]" 1
1510 1 60 ASN HA 1 96 ILE HB . . 4.790 4.007 3.561 4.337 . 0 0 "[ . 1 . 2]" 1
1511 1 60 ASN HA 1 96 ILE MG . . 4.740 4.026 3.328 4.568 . 0 0 "[ . 1 . 2]" 1
1512 1 60 ASN QB 1 62 SER QB . . 3.870 2.516 2.333 2.777 . 0 0 "[ . 1 . 2]" 1
1513 1 60 ASN QB 1 63 GLU H . . 4.390 3.311 2.632 3.632 . 0 0 "[ . 1 . 2]" 1
1514 1 60 ASN QB 1 95 PRO HA . . 3.700 3.260 2.661 3.483 . 0 0 "[ . 1 . 2]" 1
1515 1 60 ASN QB 1 96 ILE H . . 4.300 4.226 3.644 4.440 0.140 18 0 "[ . 1 . 2]" 1
1516 1 60 ASN HB2 1 61 MET H . . 3.550 2.880 2.597 3.101 . 0 0 "[ . 1 . 2]" 1
1517 1 60 ASN HB2 1 62 SER H . . 3.900 2.114 2.013 2.219 . 0 0 "[ . 1 . 2]" 1
1518 1 60 ASN HB2 1 62 SER QB . . 4.700 2.543 2.355 2.811 . 0 0 "[ . 1 . 2]" 1
1519 1 60 ASN HB2 1 63 GLU H . . 5.100 3.371 2.653 3.718 . 0 0 "[ . 1 . 2]" 1
1520 1 60 ASN HB2 1 95 PRO HA . . 4.470 4.347 4.142 4.573 0.103 14 0 "[ . 1 . 2]" 1
1521 1 60 ASN HB2 1 96 ILE H . . 4.990 4.904 4.537 5.015 0.025 18 0 "[ . 1 . 2]" 1
1522 1 60 ASN HB3 1 61 MET H . . 3.550 3.248 2.575 3.603 0.053 15 0 "[ . 1 . 2]" 1
1523 1 60 ASN HB3 1 62 SER H . . 3.900 3.688 3.299 3.885 . 0 0 "[ . 1 . 2]" 1
1524 1 60 ASN HB3 1 62 SER QB . . 4.700 4.024 3.777 4.318 . 0 0 "[ . 1 . 2]" 1
1525 1 60 ASN HB3 1 63 GLU H . . 5.100 4.888 4.383 5.103 0.003 9 0 "[ . 1 . 2]" 1
1526 1 60 ASN HB3 1 95 PRO HA . . 4.470 3.378 2.693 3.647 . 0 0 "[ . 1 . 2]" 1
1527 1 60 ASN HB3 1 96 ILE H . . 4.990 4.627 3.839 4.954 . 0 0 "[ . 1 . 2]" 1
1528 1 60 ASN QD 1 61 MET H . . 5.130 4.460 4.078 4.802 . 0 0 "[ . 1 . 2]" 1
1529 1 60 ASN QD 1 62 SER H . . 4.190 2.969 2.394 3.776 . 0 0 "[ . 1 . 2]" 1
1530 1 60 ASN QD 1 62 SER QB . . 4.510 2.415 1.914 3.366 . 0 0 "[ . 1 . 2]" 1
1531 1 60 ASN QD 1 63 GLU H . . 4.560 2.214 1.864 3.709 . 0 0 "[ . 1 . 2]" 1
1532 1 61 MET H 1 61 MET HB2 . . 3.670 3.458 3.388 3.514 . 0 0 "[ . 1 . 2]" 1
1533 1 61 MET H 1 61 MET HB3 . . 3.770 2.174 2.058 2.344 . 0 0 "[ . 1 . 2]" 1
1534 1 61 MET H 1 61 MET ME . . 4.790 4.577 4.470 4.629 . 0 0 "[ . 1 . 2]" 1
1535 1 61 MET H 1 61 MET HG2 . . 3.690 3.522 3.330 3.751 0.061 18 0 "[ . 1 . 2]" 1
1536 1 61 MET H 1 61 MET HG3 . . 3.510 2.714 2.275 3.066 . 0 0 "[ . 1 . 2]" 1
1537 1 61 MET H 1 62 SER H . . 3.350 2.774 2.558 2.902 . 0 0 "[ . 1 . 2]" 1
1538 1 61 MET H 1 62 SER QB . . 4.640 4.419 4.198 4.535 . 0 0 "[ . 1 . 2]" 1
1539 1 61 MET H 1 92 VAL HA . . 5.500 5.532 5.381 5.585 0.085 19 0 "[ . 1 . 2]" 1
1540 1 61 MET H 1 92 VAL QG . . 4.400 3.094 2.626 3.318 . 0 0 "[ . 1 . 2]" 1
1541 1 61 MET H 1 95 PRO HA . . 4.210 2.985 2.576 3.305 . 0 0 "[ . 1 . 2]" 1
1542 1 61 MET H 1 96 ILE H . . 4.720 2.904 2.689 3.290 . 0 0 "[ . 1 . 2]" 1
1543 1 61 MET H 1 96 ILE MD . . 5.260 4.148 3.991 4.303 . 0 0 "[ . 1 . 2]" 1
1544 1 61 MET H 1 96 ILE HG13 . . 5.500 5.535 5.500 5.570 0.070 8 0 "[ . 1 . 2]" 1
1545 1 61 MET H 1 99 VAL MG2 . . 4.510 3.779 3.621 3.983 . 0 0 "[ . 1 . 2]" 1
1546 1 61 MET HA 1 61 MET ME . . 3.760 3.660 3.508 3.776 0.016 9 0 "[ . 1 . 2]" 1
1547 1 61 MET HA 1 61 MET HG3 . . 3.740 3.655 3.641 3.675 . 0 0 "[ . 1 . 2]" 1
1548 1 61 MET HA 1 63 GLU H . . 4.690 4.383 3.771 4.710 0.020 11 0 "[ . 1 . 2]" 1
1549 1 61 MET HA 1 64 LEU H . . 3.820 3.475 3.315 3.580 . 0 0 "[ . 1 . 2]" 1
1550 1 61 MET HA 1 64 LEU HB2 . . 4.630 3.844 3.228 4.683 0.053 20 0 "[ . 1 . 2]" 1
1551 1 61 MET HA 1 64 LEU QB . . 3.790 3.035 2.805 3.257 . 0 0 "[ . 1 . 2]" 1
1552 1 61 MET HA 1 64 LEU HB3 . . 4.630 3.291 2.862 3.801 . 0 0 "[ . 1 . 2]" 1
1553 1 61 MET HA 1 64 LEU QD . . 4.240 3.767 3.265 4.376 0.136 14 0 "[ . 1 . 2]" 1
1554 1 61 MET HA 1 65 ILE H . . 5.060 5.010 4.859 5.256 0.196 19 0 "[ . 1 . 2]" 1
1555 1 61 MET HA 1 92 VAL QG . . 4.870 4.431 4.170 4.572 . 0 0 "[ . 1 . 2]" 1
1556 1 61 MET HA 1 96 ILE HB . . 4.470 2.303 2.007 2.550 . 0 0 "[ . 1 . 2]" 1
1557 1 61 MET HA 1 96 ILE MD . . 4.190 2.048 1.916 2.201 . 0 0 "[ . 1 . 2]" 1
1558 1 61 MET HA 1 96 ILE MG . . 4.510 3.924 3.668 4.177 . 0 0 "[ . 1 . 2]" 1
1559 1 61 MET HA 1 99 VAL MG1 . . 5.340 4.690 4.409 4.988 . 0 0 "[ . 1 . 2]" 1
1560 1 61 MET HB2 1 62 SER H . . 4.410 4.197 4.024 4.310 . 0 0 "[ . 1 . 2]" 1
1561 1 61 MET HB2 1 65 ILE MD . . 5.240 4.218 3.909 4.583 . 0 0 "[ . 1 . 2]" 1
1562 1 61 MET HB2 1 99 VAL MG1 . . 3.340 3.232 2.934 3.388 0.048 5 0 "[ . 1 . 2]" 1
1563 1 61 MET HB3 1 62 SER H . . 4.150 3.918 3.776 4.009 . 0 0 "[ . 1 . 2]" 1
1564 1 61 MET HB3 1 92 VAL QG . . 4.250 3.645 2.974 3.823 . 0 0 "[ . 1 . 2]" 1
1565 1 61 MET HB3 1 94 THR H . . 4.860 4.625 4.503 4.775 . 0 0 "[ . 1 . 2]" 1
1566 1 61 MET HB3 1 99 VAL MG1 . . 4.650 3.310 3.044 3.611 . 0 0 "[ . 1 . 2]" 1
1567 1 61 MET ME 1 61 MET HG2 . . 3.090 2.434 2.405 2.503 . 0 0 "[ . 1 . 2]" 1
1568 1 61 MET ME 1 61 MET HG3 . . 3.510 3.369 3.358 3.380 . 0 0 "[ . 1 . 2]" 1
1569 1 61 MET ME 1 62 SER H . . 5.410 4.657 4.313 4.874 . 0 0 "[ . 1 . 2]" 1
1570 1 61 MET ME 1 64 LEU QD . . 3.330 3.128 2.567 3.392 0.062 14 0 "[ . 1 . 2]" 1
1571 1 61 MET ME 1 65 ILE H . . 5.500 4.791 4.464 5.017 . 0 0 "[ . 1 . 2]" 1
1572 1 61 MET ME 1 65 ILE MD . . 2.660 2.529 2.475 2.585 . 0 0 "[ . 1 . 2]" 1
1573 1 61 MET ME 1 82 LEU QB . . 3.690 3.822 3.443 4.066 0.376 15 0 "[ . 1 . 2]" 1
1574 1 61 MET ME 1 82 LEU QD . . 3.370 3.864 3.385 4.121 0.751 20 10 "[ * *** **1 -*. * +]" 1
1575 1 61 MET ME 1 83 LEU H . . 5.500 6.290 6.002 6.551 1.051 16 20 [************-**+****] 1
1576 1 61 MET ME 1 83 LEU QD . . 5.440 5.464 5.284 5.629 0.189 16 0 "[ . 1 . 2]" 1
1577 1 61 MET ME 1 84 VAL H . . 5.160 4.189 3.843 4.357 . 0 0 "[ . 1 . 2]" 1
1578 1 61 MET ME 1 96 ILE MD . . 3.580 3.402 3.019 3.565 . 0 0 "[ . 1 . 2]" 1
1579 1 61 MET ME 1 99 VAL MG1 . . 3.390 2.788 2.381 2.994 . 0 0 "[ . 1 . 2]" 1
1580 1 61 MET ME 1 99 VAL MG2 . . 3.860 3.284 2.951 3.498 . 0 0 "[ . 1 . 2]" 1
1581 1 61 MET HG2 1 62 SER H . . 4.260 3.916 3.771 4.058 . 0 0 "[ . 1 . 2]" 1
1582 1 61 MET HG2 1 62 SER HA . . 5.070 4.753 4.570 4.931 . 0 0 "[ . 1 . 2]" 1
1583 1 61 MET HG2 1 65 ILE MD . . 4.950 5.048 4.487 5.248 0.298 9 0 "[ . 1 . 2]" 1
1584 1 61 MET HG2 1 92 VAL HA . . 4.380 3.125 2.718 3.442 . 0 0 "[ . 1 . 2]" 1
1585 1 61 MET HG2 1 92 VAL QG . . 3.930 2.729 2.460 2.843 . 0 0 "[ . 1 . 2]" 1
1586 1 61 MET HG2 1 94 THR H . . 4.240 3.993 3.787 4.431 0.191 18 0 "[ . 1 . 2]" 1
1587 1 61 MET HG2 1 94 THR HB . . 4.650 4.406 3.908 4.541 . 0 0 "[ . 1 . 2]" 1
1588 1 61 MET HG2 1 99 VAL MG2 . . 3.690 2.912 2.698 3.084 . 0 0 "[ . 1 . 2]" 1
1589 1 61 MET HG3 1 62 SER H . . 4.020 2.178 2.042 2.327 . 0 0 "[ . 1 . 2]" 1
1590 1 61 MET HG3 1 65 ILE MD . . 4.790 4.815 4.063 5.056 0.266 13 0 "[ . 1 . 2]" 1
1591 1 61 MET HG3 1 92 VAL HA . . 4.310 3.623 3.522 3.834 . 0 0 "[ . 1 . 2]" 1
1592 1 61 MET HG3 1 92 VAL HB . . 5.300 2.610 2.171 2.931 . 0 0 "[ . 1 . 2]" 1
1593 1 61 MET HG3 1 92 VAL MG1 . . 4.430 3.816 3.513 4.022 . 0 0 "[ . 1 . 2]" 1
1594 1 61 MET HG3 1 92 VAL QG . . 3.770 1.802 1.760 1.872 . 0 0 "[ . 1 . 2]" 1
1595 1 61 MET HG3 1 92 VAL MG2 . . 4.430 1.805 1.762 1.879 . 0 0 "[ . 1 . 2]" 1
1596 1 61 MET HG3 1 94 THR H . . 4.720 4.254 4.007 4.437 . 0 0 "[ . 1 . 2]" 1
1597 1 61 MET HG3 1 94 THR HB . . 5.500 5.436 4.831 5.549 0.049 8 0 "[ . 1 . 2]" 1
1598 1 61 MET HG3 1 96 ILE MD . . 5.160 4.953 4.794 5.080 . 0 0 "[ . 1 . 2]" 1
1599 1 61 MET HG3 1 99 VAL MG2 . . 4.320 4.091 3.729 4.182 . 0 0 "[ . 1 . 2]" 1
1600 1 62 SER H 1 62 SER QB . . 2.920 2.031 1.996 2.106 . 0 0 "[ . 1 . 2]" 1
1601 1 62 SER H 1 63 GLU H . . 3.390 2.788 2.605 2.906 . 0 0 "[ . 1 . 2]" 1
1602 1 62 SER H 1 63 GLU HA . . 5.500 5.257 5.106 5.350 . 0 0 "[ . 1 . 2]" 1
1603 1 62 SER H 1 92 VAL HB . . 3.910 3.960 3.419 4.110 0.200 11 0 "[ . 1 . 2]" 1
1604 1 62 SER H 1 92 VAL MG1 . . 4.370 4.017 3.345 4.239 . 0 0 "[ . 1 . 2]" 1
1605 1 62 SER H 1 92 VAL QG . . 3.530 1.928 1.889 2.024 . 0 0 "[ . 1 . 2]" 1
1606 1 62 SER H 1 92 VAL MG2 . . 4.370 1.932 1.895 2.029 . 0 0 "[ . 1 . 2]" 1
1607 1 62 SER HA 1 65 ILE H . . 4.180 3.386 3.207 3.583 . 0 0 "[ . 1 . 2]" 1
1608 1 62 SER HA 1 65 ILE HB . . 3.540 3.326 2.921 3.549 0.009 6 0 "[ . 1 . 2]" 1
1609 1 62 SER HA 1 65 ILE MD . . 3.370 3.409 1.751 4.018 0.648 13 6 "[ * . ** + .- * 2]" 1
1610 1 62 SER HA 1 65 ILE MG . . 4.280 4.358 4.020 4.636 0.356 7 0 "[ . 1 . 2]" 1
1611 1 62 SER HA 1 92 VAL HB . . 4.300 3.850 3.399 4.214 . 0 0 "[ . 1 . 2]" 1
1612 1 62 SER HA 1 92 VAL QG . . 3.950 2.760 2.487 3.268 . 0 0 "[ . 1 . 2]" 1
1613 1 62 SER QB 1 63 GLU H . . 3.430 2.868 2.700 3.197 . 0 0 "[ . 1 . 2]" 1
1614 1 62 SER QB 1 65 ILE MD . . 4.500 4.768 2.944 5.529 1.029 10 16 "[****** **+*** ** * -]" 1
1615 1 62 SER QB 1 65 ILE MG . . 5.350 5.163 4.845 5.473 0.123 7 0 "[ . 1 . 2]" 1
1616 1 62 SER QB 1 92 VAL HB . . 3.590 3.455 2.972 3.598 0.008 3 0 "[ . 1 . 2]" 1
1617 1 62 SER QB 1 92 VAL MG1 . . 3.390 2.195 1.812 2.539 . 0 0 "[ . 1 . 2]" 1
1618 1 62 SER QB 1 92 VAL MG2 . . 3.390 1.929 1.804 2.518 . 0 0 "[ . 1 . 2]" 1
1619 1 63 GLU H 1 63 GLU HB2 . . 3.530 2.194 2.038 2.346 . 0 0 "[ . 1 . 2]" 1
1620 1 63 GLU H 1 63 GLU QB . . 2.950 2.172 2.022 2.315 . 0 0 "[ . 1 . 2]" 1
1621 1 63 GLU H 1 63 GLU HB3 . . 3.530 3.494 3.380 3.550 0.020 11 0 "[ . 1 . 2]" 1
1622 1 63 GLU H 1 63 GLU QG . . 3.010 2.640 2.389 3.079 0.069 11 0 "[ . 1 . 2]" 1
1623 1 63 GLU H 1 64 LEU H . . 3.590 2.989 2.751 3.095 . 0 0 "[ . 1 . 2]" 1
1624 1 63 GLU H 1 64 LEU QB . . 4.740 4.567 4.403 4.668 . 0 0 "[ . 1 . 2]" 1
1625 1 63 GLU H 1 65 ILE H . . 4.690 4.248 3.850 4.535 . 0 0 "[ . 1 . 2]" 1
1626 1 63 GLU H 1 92 VAL QG . . 4.750 4.020 3.908 4.277 . 0 0 "[ . 1 . 2]" 1
1627 1 63 GLU HA 1 63 GLU HB2 . . 3.040 2.976 2.915 3.013 . 0 0 "[ . 1 . 2]" 1
1628 1 63 GLU HA 1 63 GLU HB3 . . 3.040 2.713 2.626 2.810 . 0 0 "[ . 1 . 2]" 1
1629 1 63 GLU HA 1 63 GLU HG2 . . 3.630 2.541 2.061 3.637 0.007 11 0 "[ . 1 . 2]" 1
1630 1 63 GLU HA 1 63 GLU QG . . 3.020 2.434 2.033 2.736 . 0 0 "[ . 1 . 2]" 1
1631 1 63 GLU HA 1 63 GLU HG3 . . 3.630 3.336 2.688 3.630 . 0 0 "[ . 1 . 2]" 1
1632 1 63 GLU HA 1 65 ILE H . . 5.500 4.122 3.809 4.429 . 0 0 "[ . 1 . 2]" 1
1633 1 63 GLU HA 1 66 LYS H . . 3.690 3.167 2.960 3.438 . 0 0 "[ . 1 . 2]" 1
1634 1 63 GLU HA 1 66 LYS HB2 . . 2.990 2.754 2.084 3.057 0.067 13 0 "[ . 1 . 2]" 1
1635 1 63 GLU HA 1 66 LYS HB3 . . 4.450 4.355 3.716 4.674 0.224 11 0 "[ . 1 . 2]" 1
1636 1 63 GLU HA 1 66 LYS QD . . 3.740 2.841 1.987 3.902 0.162 14 0 "[ . 1 . 2]" 1
1637 1 63 GLU HA 1 66 LYS QE . . 4.090 3.721 1.976 4.407 0.317 13 0 "[ . 1 . 2]" 1
1638 1 63 GLU HA 1 66 LYS QG . . 3.450 3.042 1.933 3.514 0.064 5 0 "[ . 1 . 2]" 1
1639 1 63 GLU HA 1 67 ILE H . . 4.540 4.318 4.087 4.565 0.025 17 0 "[ . 1 . 2]" 1
1640 1 63 GLU HA 1 67 ILE MD . . 5.080 4.816 4.624 5.055 . 0 0 "[ . 1 . 2]" 1
1641 1 63 GLU HA 1 67 ILE QG . . 4.590 3.897 3.534 4.283 . 0 0 "[ . 1 . 2]" 1
1642 1 63 GLU QB 1 63 GLU QG . . 2.220 2.041 1.956 2.105 . 0 0 "[ . 1 . 2]" 1
1643 1 63 GLU QB 1 64 LEU H . . 3.310 2.564 2.406 2.942 . 0 0 "[ . 1 . 2]" 1
1644 1 63 GLU QB 1 67 ILE MD . . 4.630 3.633 2.995 3.996 . 0 0 "[ . 1 . 2]" 1
1645 1 63 GLU QB 2 13 SER QB . . 4.680 3.111 2.060 3.774 . 0 0 "[ . 1 . 2]" 1
1646 1 63 GLU HB2 1 64 LEU H . . 4.110 2.720 2.529 3.221 . 0 0 "[ . 1 . 2]" 1
1647 1 63 GLU HB3 1 64 LEU H . . 4.110 3.154 2.891 3.752 . 0 0 "[ . 1 . 2]" 1
1648 1 63 GLU QG 1 67 ILE MD . . 5.120 4.720 4.457 4.910 . 0 0 "[ . 1 . 2]" 1
1649 1 64 LEU H 1 64 LEU HB2 . . 3.420 2.577 2.160 3.003 . 0 0 "[ . 1 . 2]" 1
1650 1 64 LEU H 1 64 LEU HB3 . . 3.420 2.394 2.052 2.787 . 0 0 "[ . 1 . 2]" 1
1651 1 64 LEU H 1 64 LEU QD . . 4.180 3.659 3.335 3.722 . 0 0 "[ . 1 . 2]" 1
1652 1 64 LEU H 1 64 LEU HG . . 4.660 4.242 3.961 4.539 . 0 0 "[ . 1 . 2]" 1
1653 1 64 LEU H 1 65 ILE H . . 3.750 2.881 2.554 3.062 . 0 0 "[ . 1 . 2]" 1
1654 1 64 LEU H 1 66 LYS H . . 5.000 4.420 4.029 4.833 . 0 0 "[ . 1 . 2]" 1
1655 1 64 LEU H 1 96 ILE MD . . 3.800 3.389 2.911 3.638 . 0 0 "[ . 1 . 2]" 1
1656 1 64 LEU H 2 11 LEU QD . . 5.220 4.847 4.245 4.994 . 0 0 "[ . 1 . 2]" 1
1657 1 64 LEU HA 1 64 LEU MD1 . . 4.230 3.096 1.989 3.888 . 0 0 "[ . 1 . 2]" 1
1658 1 64 LEU HA 1 64 LEU QD . . 2.890 2.278 1.961 2.579 . 0 0 "[ . 1 . 2]" 1
1659 1 64 LEU HA 1 64 LEU MD2 . . 4.230 3.064 1.972 4.031 . 0 0 "[ . 1 . 2]" 1
1660 1 64 LEU HA 1 64 LEU HG . . 3.950 3.215 2.588 3.863 . 0 0 "[ . 1 . 2]" 1
1661 1 64 LEU HA 1 66 LYS H . . 5.050 4.581 3.979 5.056 0.006 1 0 "[ . 1 . 2]" 1
1662 1 64 LEU HA 1 67 ILE H . . 3.730 3.301 3.022 3.580 . 0 0 "[ . 1 . 2]" 1
1663 1 64 LEU HA 1 67 ILE HB . . 3.410 2.544 2.126 3.136 . 0 0 "[ . 1 . 2]" 1
1664 1 64 LEU HA 1 67 ILE MD . . 3.280 3.920 2.666 4.470 1.190 19 15 "[****.** **- * ** *+*]" 1
1665 1 64 LEU HA 1 67 ILE MG . . 4.500 3.840 3.402 4.376 . 0 0 "[ . 1 . 2]" 1
1666 1 64 LEU HA 1 68 ILE H . . 4.720 4.034 3.654 4.329 . 0 0 "[ . 1 . 2]" 1
1667 1 64 LEU HA 2 11 LEU MD1 . . 5.490 2.785 2.206 3.085 . 0 0 "[ . 1 . 2]" 1
1668 1 64 LEU HA 2 11 LEU QD . . 4.070 2.772 2.202 3.063 . 0 0 "[ . 1 . 2]" 1
1669 1 64 LEU HA 2 11 LEU MD2 . . 5.490 5.174 4.576 5.506 0.016 3 0 "[ . 1 . 2]" 1
1670 1 64 LEU QB 1 64 LEU QD . . 2.660 1.958 1.912 2.029 . 0 0 "[ . 1 . 2]" 1
1671 1 64 LEU QB 1 65 ILE H . . 3.820 2.805 2.429 3.147 . 0 0 "[ . 1 . 2]" 1
1672 1 64 LEU QB 1 96 ILE MD . . 3.420 2.114 1.907 2.318 . 0 0 "[ . 1 . 2]" 1
1673 1 64 LEU QB 2 11 LEU QD . . 4.530 3.383 2.911 4.033 . 0 0 "[ . 1 . 2]" 1
1674 1 64 LEU HB2 1 64 LEU MD1 . . 3.430 2.552 2.325 3.188 . 0 0 "[ . 1 . 2]" 1
1675 1 64 LEU HB2 1 64 LEU MD2 . . 3.430 2.731 2.284 3.188 . 0 0 "[ . 1 . 2]" 1
1676 1 64 LEU HB2 1 65 ILE H . . 4.610 4.080 3.774 4.352 . 0 0 "[ . 1 . 2]" 1
1677 1 64 LEU HB2 1 96 ILE MD . . 4.160 2.282 1.938 2.655 . 0 0 "[ . 1 . 2]" 1
1678 1 64 LEU HB3 1 64 LEU MD1 . . 3.430 2.649 2.104 3.220 . 0 0 "[ . 1 . 2]" 1
1679 1 64 LEU HB3 1 64 LEU MD2 . . 3.430 2.536 2.168 3.219 . 0 0 "[ . 1 . 2]" 1
1680 1 64 LEU HB3 1 65 ILE H . . 4.610 2.858 2.458 3.229 . 0 0 "[ . 1 . 2]" 1
1681 1 64 LEU HB3 1 96 ILE MD . . 4.160 2.646 2.350 3.134 . 0 0 "[ . 1 . 2]" 1
1682 1 64 LEU QD 1 65 ILE H . . 3.850 3.399 2.227 3.875 0.025 20 0 "[ . 1 . 2]" 1
1683 1 64 LEU QD 1 65 ILE QG . . 4.140 3.610 1.937 4.074 . 0 0 "[ . 1 . 2]" 1
1684 1 64 LEU QD 1 67 ILE H . . 4.340 3.890 3.450 4.285 . 0 0 "[ . 1 . 2]" 1
1685 1 64 LEU QD 1 67 ILE HB . . 3.270 2.731 2.057 3.231 . 0 0 "[ . 1 . 2]" 1
1686 1 64 LEU QD 1 68 ILE H . . 3.850 3.098 2.570 3.557 . 0 0 "[ . 1 . 2]" 1
1687 1 64 LEU QD 1 68 ILE MD . . 3.070 2.520 2.256 2.861 . 0 0 "[ . 1 . 2]" 1
1688 1 64 LEU QD 1 68 ILE QG . . 3.940 1.773 1.596 1.990 . 0 0 "[ . 1 . 2]" 1
1689 1 64 LEU QD 1 112 MET ME . . 4.150 2.203 1.758 3.420 . 0 0 "[ . 1 . 2]" 1
1690 1 64 LEU MD1 1 65 ILE H . . 4.600 4.001 2.246 4.541 . 0 0 "[ . 1 . 2]" 1
1691 1 64 LEU MD1 1 68 ILE MD . . 4.280 3.329 2.391 4.311 0.031 3 0 "[ . 1 . 2]" 1
1692 1 64 LEU MD2 1 65 ILE H . . 4.600 3.907 3.235 4.497 . 0 0 "[ . 1 . 2]" 1
1693 1 64 LEU MD2 1 68 ILE MD . . 4.280 3.339 2.278 4.344 0.064 20 0 "[ . 1 . 2]" 1
1694 1 64 LEU HG 1 65 ILE H . . 4.510 4.249 2.985 5.124 0.614 9 8 "[ **.* +1 * -.* * 2]" 1
1695 1 64 LEU HG 1 68 ILE MD . . 5.050 4.563 4.240 5.064 0.014 12 0 "[ . 1 . 2]" 1
1696 1 65 ILE H 1 65 ILE HB . . 2.890 2.559 2.342 2.650 . 0 0 "[ . 1 . 2]" 1
1697 1 65 ILE H 1 65 ILE MD . . 3.740 2.616 2.269 3.471 . 0 0 "[ . 1 . 2]" 1
1698 1 65 ILE H 1 65 ILE QG . . 2.890 1.921 1.813 2.413 . 0 0 "[ . 1 . 2]" 1
1699 1 65 ILE H 1 65 ILE MG . . 3.730 3.706 3.694 3.728 . 0 0 "[ . 1 . 2]" 1
1700 1 65 ILE H 1 66 LYS H . . 3.380 2.740 2.460 3.019 . 0 0 "[ . 1 . 2]" 1
1701 1 65 ILE H 1 67 ILE H . . 4.170 3.848 3.587 4.038 . 0 0 "[ . 1 . 2]" 1
1702 1 65 ILE H 1 80 PHE QE . . 5.500 5.448 4.796 5.541 0.041 11 0 "[ . 1 . 2]" 1
1703 1 65 ILE H 1 96 ILE MD . . 5.270 4.873 4.606 5.094 . 0 0 "[ . 1 . 2]" 1
1704 1 65 ILE HA 1 65 ILE MD . . 3.840 2.373 1.919 3.886 0.046 19 0 "[ . 1 . 2]" 1
1705 1 65 ILE HA 1 65 ILE QG . . 3.280 2.953 2.386 3.159 . 0 0 "[ . 1 . 2]" 1
1706 1 65 ILE HA 1 65 ILE MG . . 3.190 2.329 2.228 2.516 . 0 0 "[ . 1 . 2]" 1
1707 1 65 ILE HA 1 68 ILE H . . 3.800 3.229 2.779 3.504 . 0 0 "[ . 1 . 2]" 1
1708 1 65 ILE HA 1 68 ILE HB . . 4.000 2.496 2.060 2.796 . 0 0 "[ . 1 . 2]" 1
1709 1 65 ILE HA 1 68 ILE HG12 . . 5.160 3.667 3.113 4.171 . 0 0 "[ . 1 . 2]" 1
1710 1 65 ILE HA 1 68 ILE QG . . 4.350 3.232 2.758 3.651 . 0 0 "[ . 1 . 2]" 1
1711 1 65 ILE HA 1 68 ILE HG13 . . 5.160 3.606 3.016 4.199 . 0 0 "[ . 1 . 2]" 1
1712 1 65 ILE HA 1 80 PHE QE . . 4.250 3.159 2.244 3.548 . 0 0 "[ . 1 . 2]" 1
1713 1 65 ILE HA 1 82 LEU QD . . 3.930 2.961 2.529 3.256 . 0 0 "[ . 1 . 2]" 1
1714 1 65 ILE HB 1 65 ILE MD . . 3.360 2.943 1.916 3.217 . 0 0 "[ . 1 . 2]" 1
1715 1 65 ILE HB 1 65 ILE QG . . 2.740 2.233 2.154 2.524 . 0 0 "[ . 1 . 2]" 1
1716 1 65 ILE HB 1 66 LYS H . . 3.020 2.545 2.195 2.994 . 0 0 "[ . 1 . 2]" 1
1717 1 65 ILE HB 1 66 LYS QG . . 4.650 3.205 2.886 4.278 . 0 0 "[ . 1 . 2]" 1
1718 1 65 ILE MD 1 65 ILE MG . . 2.850 2.235 1.806 2.689 . 0 0 "[ . 1 . 2]" 1
1719 1 65 ILE MD 1 66 LYS H . . 4.930 4.309 3.674 4.778 . 0 0 "[ . 1 . 2]" 1
1720 1 65 ILE MD 1 80 PHE QD . . 5.500 5.385 5.184 5.534 0.034 17 0 "[ . 1 . 2]" 1
1721 1 65 ILE MD 1 80 PHE QE . . 4.340 3.883 3.583 4.446 0.106 17 0 "[ . 1 . 2]" 1
1722 1 65 ILE MD 1 81 PHE HA . . 5.090 4.908 4.713 5.168 0.078 14 0 "[ . 1 . 2]" 1
1723 1 65 ILE MD 1 81 PHE QD . . 5.500 5.531 5.452 5.569 0.069 9 0 "[ . 1 . 2]" 1
1724 1 65 ILE MD 1 82 LEU H . . 4.080 3.367 3.149 3.861 . 0 0 "[ . 1 . 2]" 1
1725 1 65 ILE MD 1 82 LEU QB . . 3.940 2.138 1.736 3.141 . 0 0 "[ . 1 . 2]" 1
1726 1 65 ILE MD 1 83 LEU HA . . 5.500 5.816 5.133 6.278 0.778 19 4 "[ . * 1 -. * +2]" 1
1727 1 65 ILE MD 1 89 MET HA . . 5.500 6.103 5.363 6.529 1.029 16 15 "[****** **-*** *+ * 2]" 1
1728 1 65 ILE MD 1 89 MET ME . . 2.690 3.482 2.809 3.954 1.264 12 15 "[*****- ****+* ** * 2]" 1
1729 1 65 ILE MD 1 89 MET QG . . 3.640 2.445 1.853 2.856 . 0 0 "[ . 1 . 2]" 1
1730 1 65 ILE MD 1 92 VAL HB . . 5.500 5.128 3.975 5.578 0.078 18 0 "[ . 1 . 2]" 1
1731 1 65 ILE QG 1 65 ILE MG . . 2.760 2.220 1.982 2.537 . 0 0 "[ . 1 . 2]" 1
1732 1 65 ILE QG 1 66 LYS H . . 4.770 3.856 3.632 4.212 . 0 0 "[ . 1 . 2]" 1
1733 1 65 ILE QG 1 82 LEU QB . . 4.290 3.391 1.848 4.040 . 0 0 "[ . 1 . 2]" 1
1734 1 65 ILE QG 1 82 LEU HG . . 4.200 5.095 3.208 6.274 2.074 1 14 "[+***** *-*** ** * 2]" 1
1735 1 65 ILE MG 1 66 LYS H . . 3.420 3.562 3.216 3.877 0.457 13 0 "[ . 1 . 2]" 1
1736 1 65 ILE MG 1 66 LYS HA . . 4.090 3.715 3.452 3.896 . 0 0 "[ . 1 . 2]" 1
1737 1 65 ILE MG 1 66 LYS QG . . 4.220 3.826 3.547 4.545 0.325 9 0 "[ . 1 . 2]" 1
1738 1 65 ILE MG 1 68 ILE HB . . 4.260 3.625 2.851 3.959 . 0 0 "[ . 1 . 2]" 1
1739 1 65 ILE MG 1 68 ILE MG . . 4.740 3.982 3.334 4.216 . 0 0 "[ . 1 . 2]" 1
1740 1 65 ILE MG 1 69 ARG H . . 3.700 3.663 3.061 3.944 0.244 10 0 "[ . 1 . 2]" 1
1741 1 65 ILE MG 1 69 ARG HA . . 5.420 5.144 4.673 5.435 0.015 10 0 "[ . 1 . 2]" 1
1742 1 65 ILE MG 1 69 ARG QD . . 3.630 3.146 2.233 3.816 0.186 18 0 "[ . 1 . 2]" 1
1743 1 65 ILE MG 1 69 ARG QG . . 3.850 3.653 2.350 4.070 0.220 6 0 "[ . 1 . 2]" 1
1744 1 65 ILE MG 1 80 PHE QD . . 3.670 3.337 2.638 3.676 0.006 20 0 "[ . 1 . 2]" 1
1745 1 65 ILE MG 1 80 PHE QE . . 3.530 1.940 1.767 2.166 . 0 0 "[ . 1 . 2]" 1
1746 1 65 ILE MG 1 81 PHE HA . . 5.130 3.913 3.516 4.396 . 0 0 "[ . 1 . 2]" 1
1747 1 65 ILE MG 1 82 LEU H . . 4.450 3.262 2.730 3.532 . 0 0 "[ . 1 . 2]" 1
1748 1 65 ILE MG 1 82 LEU QB . . 4.450 2.928 2.480 3.197 . 0 0 "[ . 1 . 2]" 1
1749 1 65 ILE MG 1 89 MET ME . . 4.290 3.468 3.203 3.660 . 0 0 "[ . 1 . 2]" 1
1750 1 65 ILE MG 1 89 MET QG . . 5.500 4.186 3.588 4.463 . 0 0 "[ . 1 . 2]" 1
1751 1 66 LYS H 1 66 LYS HB2 . . 3.180 2.456 2.254 2.711 . 0 0 "[ . 1 . 2]" 1
1752 1 66 LYS H 1 66 LYS HB3 . . 3.590 3.540 3.513 3.570 . 0 0 "[ . 1 . 2]" 1
1753 1 66 LYS H 1 66 LYS QD . . 4.350 3.457 1.880 4.138 . 0 0 "[ . 1 . 2]" 1
1754 1 66 LYS H 1 66 LYS QE . . 4.390 4.110 2.093 4.639 0.249 19 0 "[ . 1 . 2]" 1
1755 1 66 LYS H 1 66 LYS HG2 . . 3.910 3.175 1.801 3.848 . 0 0 "[ . 1 . 2]" 1
1756 1 66 LYS H 1 66 LYS QG . . 3.390 2.084 1.795 3.133 . 0 0 "[ . 1 . 2]" 1
1757 1 66 LYS H 1 66 LYS HG3 . . 3.910 2.268 1.927 3.411 . 0 0 "[ . 1 . 2]" 1
1758 1 66 LYS H 1 67 ILE H . . 3.550 2.655 2.397 2.879 . 0 0 "[ . 1 . 2]" 1
1759 1 66 LYS H 1 68 ILE H . . 4.610 4.280 3.729 4.658 0.048 11 0 "[ . 1 . 2]" 1
1760 1 66 LYS H 1 69 ARG QD . . 4.550 4.193 3.365 4.582 0.032 1 0 "[ . 1 . 2]" 1
1761 1 66 LYS HA 1 66 LYS QE . . 4.890 4.147 2.525 4.608 . 0 0 "[ . 1 . 2]" 1
1762 1 66 LYS HA 1 66 LYS HG2 . . 3.500 2.654 2.332 3.520 0.020 14 0 "[ . 1 . 2]" 1
1763 1 66 LYS HA 1 66 LYS HG3 . . 3.500 3.032 2.195 3.818 0.318 13 0 "[ . 1 . 2]" 1
1764 1 66 LYS HA 1 69 ARG H . . 4.040 3.934 3.661 4.280 0.240 7 0 "[ . 1 . 2]" 1
1765 1 66 LYS HA 1 69 ARG QB . . 4.510 3.791 3.178 4.370 . 0 0 "[ . 1 . 2]" 1
1766 1 66 LYS HA 1 69 ARG HD2 . . 4.630 2.713 1.906 3.531 . 0 0 "[ . 1 . 2]" 1
1767 1 66 LYS HA 1 69 ARG QD . . 3.990 2.042 1.866 2.903 . 0 0 "[ . 1 . 2]" 1
1768 1 66 LYS HA 1 69 ARG HD3 . . 4.630 2.436 1.988 4.072 . 0 0 "[ . 1 . 2]" 1
1769 1 66 LYS HA 1 69 ARG QG . . 4.380 2.170 1.950 2.608 . 0 0 "[ . 1 . 2]" 1
1770 1 66 LYS HA 1 70 ARG H . . 4.800 4.124 3.541 4.597 . 0 0 "[ . 1 . 2]" 1
1771 1 66 LYS HB2 1 66 LYS QD . . 3.490 2.623 2.072 3.375 . 0 0 "[ . 1 . 2]" 1
1772 1 66 LYS HB2 1 66 LYS QE . . 4.110 3.128 1.938 4.256 0.146 14 0 "[ . 1 . 2]" 1
1773 1 66 LYS HB2 1 67 ILE H . . 3.450 3.022 2.783 3.257 . 0 0 "[ . 1 . 2]" 1
1774 1 66 LYS HB3 1 66 LYS QD . . 3.440 2.763 2.204 3.291 . 0 0 "[ . 1 . 2]" 1
1775 1 66 LYS HB3 1 66 LYS QE . . 4.070 2.894 1.895 3.993 . 0 0 "[ . 1 . 2]" 1
1776 1 66 LYS HB3 1 67 ILE H . . 4.370 4.021 3.674 4.309 . 0 0 "[ . 1 . 2]" 1
1777 1 66 LYS QD 1 67 ILE H . . 5.500 5.025 4.095 5.524 0.024 6 0 "[ . 1 . 2]" 1
1778 1 66 LYS QE 1 66 LYS HG2 . . 3.730 2.775 2.141 3.432 . 0 0 "[ . 1 . 2]" 1
1779 1 66 LYS QE 1 66 LYS QG . . 3.050 2.376 2.015 2.926 . 0 0 "[ . 1 . 2]" 1
1780 1 66 LYS QE 1 66 LYS HG3 . . 3.730 2.855 2.037 3.530 . 0 0 "[ . 1 . 2]" 1
1781 1 66 LYS QG 1 67 ILE H . . 4.660 4.145 3.735 4.619 . 0 0 "[ . 1 . 2]" 1
1782 1 66 LYS HG2 1 67 ILE H . . 5.500 5.016 3.850 5.340 . 0 0 "[ . 1 . 2]" 1
1783 1 66 LYS HG3 1 67 ILE H . . 5.500 4.503 4.237 5.270 . 0 0 "[ . 1 . 2]" 1
1784 1 67 ILE H 1 67 ILE HB . . 3.070 2.447 2.316 2.559 . 0 0 "[ . 1 . 2]" 1
1785 1 67 ILE H 1 67 ILE MD . . 4.080 3.578 3.309 3.875 . 0 0 "[ . 1 . 2]" 1
1786 1 67 ILE H 1 67 ILE HG12 . . 3.590 2.326 1.902 3.826 0.236 14 0 "[ . 1 . 2]" 1
1787 1 67 ILE H 1 67 ILE QG . . 2.890 2.091 1.881 2.544 . 0 0 "[ . 1 . 2]" 1
1788 1 67 ILE H 1 67 ILE HG13 . . 3.590 3.112 2.258 3.524 . 0 0 "[ . 1 . 2]" 1
1789 1 67 ILE H 1 67 ILE MG . . 3.840 3.722 3.691 3.770 . 0 0 "[ . 1 . 2]" 1
1790 1 67 ILE H 1 68 ILE H . . 2.850 2.519 2.250 2.814 . 0 0 "[ . 1 . 2]" 1
1791 1 67 ILE H 1 69 ARG H . . 4.610 4.395 3.795 4.763 0.153 10 0 "[ . 1 . 2]" 1
1792 1 67 ILE H 2 16 VAL QG . . 4.290 3.614 3.197 4.038 . 0 0 "[ . 1 . 2]" 1
1793 1 67 ILE HA 1 67 ILE MD . . 3.960 2.516 1.976 3.810 . 0 0 "[ . 1 . 2]" 1
1794 1 67 ILE HA 1 67 ILE QG . . 3.180 2.677 2.264 2.887 . 0 0 "[ . 1 . 2]" 1
1795 1 67 ILE HA 1 67 ILE MG . . 3.310 2.372 2.248 2.515 . 0 0 "[ . 1 . 2]" 1
1796 1 67 ILE HA 1 70 ARG H . . 4.120 3.539 3.069 3.856 . 0 0 "[ . 1 . 2]" 1
1797 1 67 ILE HA 1 70 ARG QB . . 3.610 2.432 2.028 3.072 . 0 0 "[ . 1 . 2]" 1
1798 1 67 ILE HA 1 70 ARG HG2 . . 4.760 3.979 3.160 4.759 . 0 0 "[ . 1 . 2]" 1
1799 1 67 ILE HA 1 70 ARG HG3 . . 4.760 3.468 2.968 4.739 . 0 0 "[ . 1 . 2]" 1
1800 1 67 ILE HA 2 11 LEU QD . . 5.440 4.315 4.020 4.672 . 0 0 "[ . 1 . 2]" 1
1801 1 67 ILE HA 2 16 VAL QG . . 3.100 2.488 2.129 3.071 . 0 0 "[ . 1 . 2]" 1
1802 1 67 ILE HB 1 67 ILE MD . . 3.180 3.028 2.262 3.206 0.026 15 0 "[ . 1 . 2]" 1
1803 1 67 ILE HB 1 68 ILE H . . 3.560 2.646 2.277 3.083 . 0 0 "[ . 1 . 2]" 1
1804 1 67 ILE HB 1 68 ILE MD . . 4.830 4.272 4.034 4.387 . 0 0 "[ . 1 . 2]" 1
1805 1 67 ILE HB 1 68 ILE QG . . 5.070 3.402 3.199 3.683 . 0 0 "[ . 1 . 2]" 1
1806 1 67 ILE HB 2 11 LEU QD . . 3.490 2.455 1.925 3.009 . 0 0 "[ . 1 . 2]" 1
1807 1 67 ILE MD 2 11 LEU QB . . 4.090 2.399 1.759 2.798 . 0 0 "[ . 1 . 2]" 1
1808 1 67 ILE MD 2 12 SER HB2 . . 4.700 3.987 3.760 4.275 . 0 0 "[ . 1 . 2]" 1
1809 1 67 ILE MD 2 12 SER HB3 . . 5.230 4.692 4.567 4.906 . 0 0 "[ . 1 . 2]" 1
1810 1 67 ILE MD 2 13 SER HA . . 3.050 2.101 1.932 2.805 . 0 0 "[ . 1 . 2]" 1
1811 1 67 ILE MD 2 13 SER HB2 . . 4.130 3.473 2.648 4.413 0.283 17 0 "[ . 1 . 2]" 1
1812 1 67 ILE MD 2 13 SER QB . . 3.480 3.026 2.553 3.631 0.151 8 0 "[ . 1 . 2]" 1
1813 1 67 ILE MD 2 13 SER HB3 . . 4.130 3.525 2.951 4.002 . 0 0 "[ . 1 . 2]" 1
1814 1 67 ILE MD 2 14 LYS H . . 4.930 4.143 3.879 4.683 . 0 0 "[ . 1 . 2]" 1
1815 1 67 ILE MD 2 15 GLU H . . 5.200 4.262 3.946 4.910 . 0 0 "[ . 1 . 2]" 1
1816 1 67 ILE MD 2 15 GLU QG . . 5.500 4.870 4.568 4.964 . 0 0 "[ . 1 . 2]" 1
1817 1 67 ILE MD 2 16 VAL QG . . 3.570 2.017 1.682 2.871 . 0 0 "[ . 1 . 2]" 1
1818 1 67 ILE QG 1 67 ILE MG . . 3.130 2.471 2.337 2.559 . 0 0 "[ . 1 . 2]" 1
1819 1 67 ILE QG 2 13 SER HA . . 4.090 3.526 2.791 3.943 . 0 0 "[ . 1 . 2]" 1
1820 1 67 ILE QG 2 13 SER QB . . 4.760 3.882 3.306 4.351 . 0 0 "[ . 1 . 2]" 1
1821 1 67 ILE QG 2 16 VAL QG . . 3.090 2.551 1.686 2.916 . 0 0 "[ . 1 . 2]" 1
1822 1 67 ILE MG 1 68 ILE H . . 4.250 3.541 2.934 3.854 . 0 0 "[ . 1 . 2]" 1
1823 1 67 ILE MG 1 68 ILE HA . . 4.320 3.670 3.272 3.892 . 0 0 "[ . 1 . 2]" 1
1824 1 67 ILE MG 1 68 ILE HB . . 5.500 5.209 4.763 5.508 0.008 19 0 "[ . 1 . 2]" 1
1825 1 67 ILE MG 1 70 ARG H . . 5.400 4.653 4.137 5.071 . 0 0 "[ . 1 . 2]" 1
1826 1 67 ILE MG 1 71 ARG H . . 4.660 4.243 3.926 4.690 0.030 3 0 "[ . 1 . 2]" 1
1827 1 67 ILE MG 1 71 ARG HD2 . . 4.410 2.823 2.279 3.603 . 0 0 "[ . 1 . 2]" 1
1828 1 67 ILE MG 1 71 ARG QD . . 3.820 2.596 1.990 3.006 . 0 0 "[ . 1 . 2]" 1
1829 1 67 ILE MG 1 71 ARG HD3 . . 4.410 3.404 2.127 4.198 . 0 0 "[ . 1 . 2]" 1
1830 1 67 ILE MG 2 11 LEU HA . . 4.670 2.281 1.965 2.827 . 0 0 "[ . 1 . 2]" 1
1831 1 67 ILE MG 2 11 LEU QB . . 3.610 2.035 1.810 2.563 . 0 0 "[ . 1 . 2]" 1
1832 1 67 ILE MG 2 11 LEU HG . . 4.110 3.643 3.464 3.752 . 0 0 "[ . 1 . 2]" 1
1833 1 67 ILE MG 2 12 SER H . . 3.770 3.044 2.723 3.307 . 0 0 "[ . 1 . 2]" 1
1834 1 67 ILE MG 2 12 SER HB2 . . 5.390 5.051 4.726 5.198 . 0 0 "[ . 1 . 2]" 1
1835 1 67 ILE MG 2 16 VAL QG . . 2.870 3.428 3.093 3.760 0.890 2 13 "[*+-** * * ** ** * *]" 1
1836 1 68 ILE H 1 68 ILE HB . . 3.270 2.276 2.178 2.402 . 0 0 "[ . 1 . 2]" 1
1837 1 68 ILE H 1 68 ILE MD . . 4.080 3.546 3.269 3.742 . 0 0 "[ . 1 . 2]" 1
1838 1 68 ILE H 1 68 ILE HG12 . . 3.890 2.341 2.038 2.664 . 0 0 "[ . 1 . 2]" 1
1839 1 68 ILE H 1 68 ILE QG . . 3.220 2.313 2.025 2.620 . 0 0 "[ . 1 . 2]" 1
1840 1 68 ILE H 1 68 ILE HG13 . . 3.890 3.627 3.423 3.874 . 0 0 "[ . 1 . 2]" 1
1841 1 68 ILE H 1 68 ILE MG . . 3.790 3.663 3.607 3.706 . 0 0 "[ . 1 . 2]" 1
1842 1 68 ILE H 1 69 ARG H . . 3.320 2.943 2.680 3.227 . 0 0 "[ . 1 . 2]" 1
1843 1 68 ILE H 1 69 ARG QG . . 4.190 3.896 3.261 4.341 0.151 14 0 "[ . 1 . 2]" 1
1844 1 68 ILE H 1 70 ARG H . . 4.800 3.943 3.475 4.563 . 0 0 "[ . 1 . 2]" 1
1845 1 68 ILE H 1 71 ARG QD . . 5.340 4.729 3.665 5.385 0.045 11 0 "[ . 1 . 2]" 1
1846 1 68 ILE HA 1 68 ILE MD . . 3.240 2.003 1.911 2.234 . 0 0 "[ . 1 . 2]" 1
1847 1 68 ILE HA 1 68 ILE MG . . 3.220 2.541 2.446 2.606 . 0 0 "[ . 1 . 2]" 1
1848 1 68 ILE HA 1 70 ARG H . . 4.880 4.174 3.739 4.627 . 0 0 "[ . 1 . 2]" 1
1849 1 68 ILE HA 1 71 ARG H . . 3.760 3.246 3.153 3.433 . 0 0 "[ . 1 . 2]" 1
1850 1 68 ILE HA 1 71 ARG HA . . 5.430 5.338 5.083 5.515 0.085 10 0 "[ . 1 . 2]" 1
1851 1 68 ILE HA 1 71 ARG QB . . 3.360 2.771 2.449 3.393 0.033 18 0 "[ . 1 . 2]" 1
1852 1 68 ILE HA 1 72 LEU H . . 4.490 4.287 4.096 4.493 0.003 14 0 "[ . 1 . 2]" 1
1853 1 68 ILE HA 1 72 LEU QD . . 5.330 4.194 3.488 4.665 . 0 0 "[ . 1 . 2]" 1
1854 1 68 ILE HB 1 68 ILE MD . . 3.460 3.199 3.185 3.210 . 0 0 "[ . 1 . 2]" 1
1855 1 68 ILE HB 1 69 ARG H . . 3.150 2.412 2.209 2.774 . 0 0 "[ . 1 . 2]" 1
1856 1 68 ILE HB 1 72 LEU QD . . 4.700 4.362 4.026 4.967 0.267 7 0 "[ . 1 . 2]" 1
1857 1 68 ILE HB 1 80 PHE QD . . 5.500 4.958 4.522 5.508 0.008 14 0 "[ . 1 . 2]" 1
1858 1 68 ILE HB 1 80 PHE QE . . 4.980 3.151 2.438 3.903 . 0 0 "[ . 1 . 2]" 1
1859 1 68 ILE HB 1 80 PHE HZ . . 4.790 2.274 1.983 3.194 . 0 0 "[ . 1 . 2]" 1
1860 1 68 ILE HB 1 82 LEU QD . . 5.440 3.067 2.496 3.398 . 0 0 "[ . 1 . 2]" 1
1861 1 68 ILE MD 1 68 ILE MG . . 3.170 1.962 1.874 2.091 . 0 0 "[ . 1 . 2]" 1
1862 1 68 ILE MD 1 69 ARG H . . 4.990 4.564 4.481 4.665 . 0 0 "[ . 1 . 2]" 1
1863 1 68 ILE MD 1 71 ARG H . . 5.500 4.620 4.386 4.937 . 0 0 "[ . 1 . 2]" 1
1864 1 68 ILE MD 1 71 ARG QB . . 4.130 3.402 3.004 3.838 . 0 0 "[ . 1 . 2]" 1
1865 1 68 ILE MD 1 71 ARG QD . . 4.580 3.406 2.697 4.442 . 0 0 "[ . 1 . 2]" 1
1866 1 68 ILE MD 1 80 PHE QD . . 5.500 5.827 5.525 6.347 0.847 14 1 "[ . 1 +. 2]" 1
1867 1 68 ILE MD 1 80 PHE QE . . 4.730 4.300 4.008 4.731 0.001 14 0 "[ . 1 . 2]" 1
1868 1 68 ILE MD 1 80 PHE HZ . . 5.070 4.207 3.819 4.723 . 0 0 "[ . 1 . 2]" 1
1869 1 68 ILE MD 1 82 LEU QD . . 3.600 2.792 2.234 3.199 . 0 0 "[ . 1 . 2]" 1
1870 1 68 ILE MD 2 9 THR MG . . 5.500 4.825 4.303 5.234 . 0 0 "[ . 1 . 2]" 1
1871 1 68 ILE QG 1 69 ARG H . . 4.510 4.099 3.929 4.321 . 0 0 "[ . 1 . 2]" 1
1872 1 68 ILE HG12 1 68 ILE MG . . 3.600 3.228 3.216 3.236 . 0 0 "[ . 1 . 2]" 1
1873 1 68 ILE HG13 1 68 ILE MG . . 3.600 2.397 2.296 2.542 . 0 0 "[ . 1 . 2]" 1
1874 1 68 ILE MG 1 69 ARG H . . 3.450 2.681 2.399 3.131 . 0 0 "[ . 1 . 2]" 1
1875 1 68 ILE MG 1 69 ARG HA . . 3.700 2.990 2.826 3.272 . 0 0 "[ . 1 . 2]" 1
1876 1 68 ILE MG 1 71 ARG H . . 4.910 4.300 4.118 4.391 . 0 0 "[ . 1 . 2]" 1
1877 1 68 ILE MG 1 71 ARG QB . . 3.630 3.599 3.120 3.727 0.097 5 0 "[ . 1 . 2]" 1
1878 1 68 ILE MG 1 72 LEU H . . 4.180 3.857 3.398 4.087 . 0 0 "[ . 1 . 2]" 1
1879 1 68 ILE MG 1 72 LEU HA . . 5.500 5.413 4.934 5.549 0.049 18 0 "[ . 1 . 2]" 1
1880 1 68 ILE MG 1 72 LEU QD . . 3.410 2.121 1.800 2.561 . 0 0 "[ . 1 . 2]" 1
1881 1 68 ILE MG 1 72 LEU HG . . 3.730 3.105 2.656 3.327 . 0 0 "[ . 1 . 2]" 1
1882 1 68 ILE MG 1 80 PHE QE . . 3.610 2.050 1.914 2.378 . 0 0 "[ . 1 . 2]" 1
1883 1 68 ILE MG 1 80 PHE HZ . . 3.510 2.058 1.903 2.467 . 0 0 "[ . 1 . 2]" 1
1884 1 68 ILE MG 1 82 LEU QD . . 3.260 2.565 1.917 3.260 0.000 7 0 "[ . 1 . 2]" 1
1885 1 68 ILE MG 1 114 TYR HB2 . . 4.810 3.536 3.206 4.052 . 0 0 "[ . 1 . 2]" 1
1886 1 68 ILE MG 1 114 TYR HB3 . . 5.110 3.690 3.276 4.060 . 0 0 "[ . 1 . 2]" 1
1887 1 69 ARG H 1 69 ARG QB . . 2.930 2.415 2.235 2.757 . 0 0 "[ . 1 . 2]" 1
1888 1 69 ARG H 1 69 ARG HD2 . . 4.700 4.105 3.306 4.539 . 0 0 "[ . 1 . 2]" 1
1889 1 69 ARG H 1 69 ARG QD . . 4.030 3.711 2.744 4.144 0.114 13 0 "[ . 1 . 2]" 1
1890 1 69 ARG H 1 69 ARG HD3 . . 4.700 4.370 2.923 4.789 0.089 13 0 "[ . 1 . 2]" 1
1891 1 69 ARG H 1 69 ARG HG2 . . 3.730 2.274 1.900 2.647 . 0 0 "[ . 1 . 2]" 1
1892 1 69 ARG H 1 69 ARG QG . . 2.970 2.217 1.817 2.598 . 0 0 "[ . 1 . 2]" 1
1893 1 69 ARG H 1 69 ARG HG3 . . 3.730 3.324 2.066 3.852 0.122 16 0 "[ . 1 . 2]" 1
1894 1 69 ARG H 1 70 ARG H . . 3.250 2.881 2.710 3.078 . 0 0 "[ . 1 . 2]" 1
1895 1 69 ARG H 1 70 ARG HA . . 5.500 5.334 5.183 5.484 . 0 0 "[ . 1 . 2]" 1
1896 1 69 ARG H 1 71 ARG H . . 5.000 4.265 3.956 4.648 . 0 0 "[ . 1 . 2]" 1
1897 1 69 ARG H 1 72 LEU QD . . 4.440 4.104 3.743 4.715 0.275 7 0 "[ . 1 . 2]" 1
1898 1 69 ARG H 1 74 LEU MD1 . . 5.500 5.039 4.301 5.508 0.008 13 0 "[ . 1 . 2]" 1
1899 1 69 ARG H 1 80 PHE QE . . 4.470 2.858 2.263 4.463 . 0 0 "[ . 1 . 2]" 1
1900 1 69 ARG H 1 80 PHE HZ . . 5.500 3.552 3.021 4.673 . 0 0 "[ . 1 . 2]" 1
1901 1 69 ARG HA 1 69 ARG HG2 . . 4.220 3.594 2.574 3.807 . 0 0 "[ . 1 . 2]" 1
1902 1 69 ARG HA 1 69 ARG QG . . 3.570 3.239 2.523 3.336 . 0 0 "[ . 1 . 2]" 1
1903 1 69 ARG HA 1 69 ARG HG3 . . 4.220 3.744 3.594 4.097 . 0 0 "[ . 1 . 2]" 1
1904 1 69 ARG HA 1 72 LEU H . . 4.050 3.342 3.150 3.483 . 0 0 "[ . 1 . 2]" 1
1905 1 69 ARG HA 1 72 LEU HA . . 5.500 5.467 5.331 5.549 0.049 18 0 "[ . 1 . 2]" 1
1906 1 69 ARG HA 1 72 LEU QD . . 3.900 2.636 2.100 3.823 . 0 0 "[ . 1 . 2]" 1
1907 1 69 ARG HA 1 73 GLN H . . 5.170 4.456 4.026 4.778 . 0 0 "[ . 1 . 2]" 1
1908 1 69 ARG HA 1 74 LEU H . . 4.420 4.272 3.832 4.511 0.091 11 0 "[ . 1 . 2]" 1
1909 1 69 ARG HA 1 74 LEU MD1 . . 3.850 2.833 2.220 3.280 . 0 0 "[ . 1 . 2]" 1
1910 1 69 ARG HA 1 74 LEU MD2 . . 5.500 5.182 4.484 5.461 . 0 0 "[ . 1 . 2]" 1
1911 1 69 ARG QB 1 70 ARG H . . 3.470 3.363 2.221 3.682 0.212 3 0 "[ . 1 . 2]" 1
1912 1 69 ARG QD 1 70 ARG H . . 4.770 4.125 3.774 4.914 0.144 1 0 "[ . 1 . 2]" 1
1913 1 69 ARG QG 1 70 ARG H . . 3.830 2.256 1.878 3.532 . 0 0 "[ . 1 . 2]" 1
1914 1 69 ARG HG2 1 70 ARG H . . 4.500 2.645 1.969 4.389 . 0 0 "[ . 1 . 2]" 1
1915 1 69 ARG HG2 1 71 ARG H . . 5.500 4.997 4.357 6.043 0.543 18 2 "[ - 1 . + 2]" 1
1916 1 69 ARG HG3 1 70 ARG H . . 4.500 2.598 2.139 3.731 . 0 0 "[ . 1 . 2]" 1
1917 1 69 ARG HG3 1 71 ARG H . . 5.500 4.951 4.559 5.943 0.443 1 0 "[ . 1 . 2]" 1
1918 1 70 ARG H 1 70 ARG HB2 . . 3.620 2.149 2.052 2.425 . 0 0 "[ . 1 . 2]" 1
1919 1 70 ARG H 1 70 ARG QB . . 2.840 2.128 2.036 2.387 . 0 0 "[ . 1 . 2]" 1
1920 1 70 ARG H 1 70 ARG HB3 . . 3.620 3.458 3.379 3.550 . 0 0 "[ . 1 . 2]" 1
1921 1 70 ARG H 1 70 ARG QD . . 5.060 4.038 2.042 4.562 . 0 0 "[ . 1 . 2]" 1
1922 1 70 ARG H 1 70 ARG HG2 . . 3.530 2.893 2.152 3.662 0.132 16 0 "[ . 1 . 2]" 1
1923 1 70 ARG H 1 70 ARG QG . . 3.010 2.787 2.138 3.441 0.431 16 0 "[ . 1 . 2]" 1
1924 1 70 ARG H 1 70 ARG HG3 . . 3.530 3.740 3.452 4.180 0.650 16 2 "[ . - 1 .+ 2]" 1
1925 1 70 ARG H 1 71 ARG H . . 3.340 2.637 2.383 2.817 . 0 0 "[ . 1 . 2]" 1
1926 1 70 ARG HA 1 70 ARG QD . . 3.700 2.450 1.917 3.209 . 0 0 "[ . 1 . 2]" 1
1927 1 70 ARG HA 1 70 ARG QG . . 3.530 2.446 2.200 2.965 . 0 0 "[ . 1 . 2]" 1
1928 1 70 ARG HA 1 73 GLN H . . 3.650 3.422 3.113 3.550 . 0 0 "[ . 1 . 2]" 1
1929 1 70 ARG HA 1 73 GLN HA . . 4.240 3.472 3.189 3.740 . 0 0 "[ . 1 . 2]" 1
1930 1 70 ARG QB 1 70 ARG QD . . 3.370 2.344 2.014 2.686 . 0 0 "[ . 1 . 2]" 1
1931 1 70 ARG QB 1 71 ARG H . . 4.210 2.763 2.512 3.016 . 0 0 "[ . 1 . 2]" 1
1932 1 70 ARG QB 2 16 VAL HA . . 3.600 3.595 2.802 3.983 0.383 19 0 "[ . 1 . 2]" 1
1933 1 70 ARG QB 2 17 ASP H . . 4.710 4.981 4.230 5.378 0.668 1 5 "[+ * . - 1 *. * 2]" 1
1934 1 70 ARG HB2 2 16 VAL HA . . 4.170 4.137 3.298 4.482 0.312 19 0 "[ . 1 . 2]" 1
1935 1 70 ARG HB3 2 16 VAL HA . . 4.170 3.971 2.920 4.535 0.365 5 0 "[ . 1 . 2]" 1
1936 1 70 ARG QD 1 71 ARG H . . 5.370 4.944 4.254 5.078 . 0 0 "[ . 1 . 2]" 1
1937 1 70 ARG QD 2 16 VAL HA . . 3.970 2.599 1.960 3.896 . 0 0 "[ . 1 . 2]" 1
1938 1 70 ARG QD 2 16 VAL QG . . 4.550 3.706 3.210 4.052 . 0 0 "[ . 1 . 2]" 1
1939 1 70 ARG QD 2 17 ASP H . . 4.740 3.207 2.073 4.103 . 0 0 "[ . 1 . 2]" 1
1940 1 70 ARG HE 2 17 ASP H . . 5.040 3.476 1.900 4.639 . 0 0 "[ . 1 . 2]" 1
1941 1 70 ARG HE 2 17 ASP QB . . 5.340 3.525 1.946 5.325 . 0 0 "[ . 1 . 2]" 1
1942 1 70 ARG QG 1 71 ARG H . . 4.260 4.405 4.139 4.667 0.407 7 0 "[ . 1 . 2]" 1
1943 1 70 ARG QG 2 16 VAL HA . . 3.790 2.000 1.821 2.393 . 0 0 "[ . 1 . 2]" 1
1944 1 70 ARG QG 2 17 ASP H . . 3.910 3.045 2.273 3.478 . 0 0 "[ . 1 . 2]" 1
1945 1 71 ARG H 1 71 ARG QB . . 2.840 2.250 2.003 2.595 . 0 0 "[ . 1 . 2]" 1
1946 1 71 ARG H 1 71 ARG QD . . 4.460 3.172 1.972 4.214 . 0 0 "[ . 1 . 2]" 1
1947 1 71 ARG H 1 71 ARG QG . . 3.350 2.786 1.869 3.565 0.215 13 0 "[ . 1 . 2]" 1
1948 1 71 ARG H 1 72 LEU H . . 3.290 2.608 2.404 2.783 . 0 0 "[ . 1 . 2]" 1
1949 1 71 ARG H 1 72 LEU QD . . 5.440 4.524 3.666 4.873 . 0 0 "[ . 1 . 2]" 1
1950 1 71 ARG HA 1 71 ARG HD2 . . 4.810 3.863 2.417 4.593 . 0 0 "[ . 1 . 2]" 1
1951 1 71 ARG HA 1 71 ARG QD . . 4.170 3.423 2.386 4.009 . 0 0 "[ . 1 . 2]" 1
1952 1 71 ARG HA 1 71 ARG HD3 . . 4.810 4.107 3.585 4.635 . 0 0 "[ . 1 . 2]" 1
1953 1 71 ARG HA 1 71 ARG QG . . 3.110 2.347 2.017 3.181 0.071 3 0 "[ . 1 . 2]" 1
1954 1 71 ARG HA 1 73 GLN H . . 4.410 3.717 3.522 3.966 . 0 0 "[ . 1 . 2]" 1
1955 1 71 ARG QB 1 71 ARG HD2 . . 3.910 2.675 1.915 3.404 . 0 0 "[ . 1 . 2]" 1
1956 1 71 ARG QB 1 71 ARG QD . . 3.350 2.147 1.895 2.982 . 0 0 "[ . 1 . 2]" 1
1957 1 71 ARG QB 1 71 ARG HD3 . . 3.910 2.604 1.960 3.513 . 0 0 "[ . 1 . 2]" 1
1958 1 71 ARG QB 1 72 LEU H . . 3.390 2.582 2.322 3.058 . 0 0 "[ . 1 . 2]" 1
1959 1 71 ARG QB 1 72 LEU HA . . 4.190 3.805 3.731 3.941 . 0 0 "[ . 1 . 2]" 1
1960 1 71 ARG QB 1 73 GLN H . . 4.460 4.260 4.157 4.463 0.003 20 0 "[ . 1 . 2]" 1
1961 1 71 ARG QD 2 9 THR MG . . 4.970 3.518 2.575 4.462 . 0 0 "[ . 1 . 2]" 1
1962 1 72 LEU H 1 72 LEU HB2 . . 3.200 2.264 2.162 2.381 . 0 0 "[ . 1 . 2]" 1
1963 1 72 LEU H 1 72 LEU HB3 . . 3.710 3.537 3.503 3.603 . 0 0 "[ . 1 . 2]" 1
1964 1 72 LEU H 1 72 LEU MD1 . . 4.260 3.312 2.974 4.057 . 0 0 "[ . 1 . 2]" 1
1965 1 72 LEU H 1 72 LEU QD . . 3.650 3.000 1.912 3.246 . 0 0 "[ . 1 . 2]" 1
1966 1 72 LEU H 1 72 LEU MD2 . . 4.260 3.643 1.915 3.971 . 0 0 "[ . 1 . 2]" 1
1967 1 72 LEU H 1 72 LEU HG . . 3.690 2.456 2.074 3.322 . 0 0 "[ . 1 . 2]" 1
1968 1 72 LEU H 1 73 GLN HA . . 4.910 4.670 4.342 4.798 . 0 0 "[ . 1 . 2]" 1
1969 1 72 LEU H 1 73 GLN QG . . 5.020 4.594 4.073 4.754 . 0 0 "[ . 1 . 2]" 1
1970 1 72 LEU H 1 74 LEU H . . 4.800 4.383 4.029 4.734 . 0 0 "[ . 1 . 2]" 1
1971 1 72 LEU H 1 74 LEU MD1 . . 5.340 4.234 3.853 4.514 . 0 0 "[ . 1 . 2]" 1
1972 1 72 LEU HA 1 72 LEU MD1 . . 3.920 3.832 2.707 3.923 0.003 16 0 "[ . 1 . 2]" 1
1973 1 72 LEU HA 1 72 LEU QD . . 2.770 2.357 1.913 2.684 . 0 0 "[ . 1 . 2]" 1
1974 1 72 LEU HA 1 72 LEU MD2 . . 3.920 2.382 1.956 2.736 . 0 0 "[ . 1 . 2]" 1
1975 1 72 LEU HA 1 72 LEU HG . . 3.710 2.859 2.679 3.700 . 0 0 "[ . 1 . 2]" 1
1976 1 72 LEU HA 1 73 GLN QE . . 4.750 4.428 3.487 4.677 . 0 0 "[ . 1 . 2]" 1
1977 1 72 LEU HA 1 73 GLN QG . . 3.840 3.255 3.056 3.411 . 0 0 "[ . 1 . 2]" 1
1978 1 72 LEU HA 1 74 LEU H . . 4.810 4.749 4.586 5.017 0.207 11 0 "[ . 1 . 2]" 1
1979 1 72 LEU HB2 1 72 LEU MD1 . . 3.420 2.162 1.967 3.086 . 0 0 "[ . 1 . 2]" 1
1980 1 72 LEU HB2 1 72 LEU MD2 . . 3.420 3.142 2.663 3.202 . 0 0 "[ . 1 . 2]" 1
1981 1 72 LEU HB2 1 73 GLN H . . 3.670 3.334 3.094 3.551 . 0 0 "[ . 1 . 2]" 1
1982 1 72 LEU HB2 1 74 LEU MD1 . . 4.460 2.367 2.030 2.841 . 0 0 "[ . 1 . 2]" 1
1983 1 72 LEU HB2 1 74 LEU MD2 . . 5.010 3.394 3.138 3.687 . 0 0 "[ . 1 . 2]" 1
1984 1 72 LEU HB3 1 72 LEU MD1 . . 3.310 2.595 2.110 2.771 . 0 0 "[ . 1 . 2]" 1
1985 1 72 LEU HB3 1 72 LEU QD . . 2.670 2.053 1.950 2.167 . 0 0 "[ . 1 . 2]" 1
1986 1 72 LEU HB3 1 72 LEU MD2 . . 3.310 2.207 1.995 3.134 . 0 0 "[ . 1 . 2]" 1
1987 1 72 LEU HB3 1 73 GLN H . . 4.360 4.189 3.965 4.355 . 0 0 "[ . 1 . 2]" 1
1988 1 72 LEU HB3 1 74 LEU MD2 . . 3.020 2.078 1.956 2.387 . 0 0 "[ . 1 . 2]" 1
1989 1 72 LEU HB3 1 74 LEU HG . . 3.860 2.080 1.967 2.560 . 0 0 "[ . 1 . 2]" 1
1990 1 72 LEU QD 1 74 LEU H . . 4.730 4.450 4.159 4.821 0.091 11 0 "[ . 1 . 2]" 1
1991 1 72 LEU QD 1 74 LEU MD1 . . 4.830 2.090 1.844 2.518 . 0 0 "[ . 1 . 2]" 1
1992 1 72 LEU QD 1 80 PHE HB2 . . 4.670 3.243 2.751 4.240 . 0 0 "[ . 1 . 2]" 1
1993 1 72 LEU QD 1 80 PHE QD . . 5.080 2.843 2.342 3.364 . 0 0 "[ . 1 . 2]" 1
1994 1 72 LEU QD 1 114 TYR HB2 . . 5.440 3.847 3.359 4.638 . 0 0 "[ . 1 . 2]" 1
1995 1 72 LEU QD 1 114 TYR QD . . 4.090 3.273 2.818 3.696 . 0 0 "[ . 1 . 2]" 1
1996 1 72 LEU QD 1 114 TYR QE . . 3.910 2.903 2.328 3.529 . 0 0 "[ . 1 . 2]" 1
1997 1 72 LEU QD 1 115 ALA HA . . 5.440 5.063 4.545 5.379 . 0 0 "[ . 1 . 2]" 1
1998 1 72 LEU MD1 1 73 GLN H . . 5.400 4.884 4.434 5.259 . 0 0 "[ . 1 . 2]" 1
1999 1 72 LEU MD1 1 114 TYR QE . . 4.770 3.493 2.353 4.236 . 0 0 "[ . 1 . 2]" 1
2000 1 72 LEU MD2 1 73 GLN H . . 5.400 4.961 4.047 5.156 . 0 0 "[ . 1 . 2]" 1
2001 1 72 LEU MD2 1 114 TYR QE . . 4.770 3.242 2.464 3.906 . 0 0 "[ . 1 . 2]" 1
2002 1 72 LEU HG 1 74 LEU MD1 . . 5.440 3.943 2.961 4.366 . 0 0 "[ . 1 . 2]" 1
2003 1 73 GLN H 1 73 GLN HA . . 2.770 2.198 2.185 2.245 . 0 0 "[ . 1 . 2]" 1
2004 1 73 GLN H 1 73 GLN HB3 . . 3.180 2.982 2.884 3.113 . 0 0 "[ . 1 . 2]" 1
2005 1 73 GLN H 1 73 GLN QG . . 3.420 3.131 2.785 3.307 . 0 0 "[ . 1 . 2]" 1
2006 1 73 GLN H 1 74 LEU H . . 3.160 3.014 2.895 3.182 0.022 6 0 "[ . 1 . 2]" 1
2007 1 73 GLN H 1 74 LEU MD1 . . 5.500 4.693 4.475 5.081 . 0 0 "[ . 1 . 2]" 1
2008 1 73 GLN H 1 74 LEU MD2 . . 5.500 4.896 4.736 5.102 . 0 0 "[ . 1 . 2]" 1
2009 1 73 GLN H 1 74 LEU HG . . 4.410 3.865 3.677 3.963 . 0 0 "[ . 1 . 2]" 1
2010 1 73 GLN HA 1 73 GLN HB2 . . 2.790 2.526 2.471 2.649 . 0 0 "[ . 1 . 2]" 1
2011 1 73 GLN HA 1 73 GLN HB3 . . 2.890 2.416 2.325 2.463 . 0 0 "[ . 1 . 2]" 1
2012 1 73 GLN HA 1 73 GLN QG . . 3.390 3.321 3.265 3.356 . 0 0 "[ . 1 . 2]" 1
2013 1 73 GLN HA 1 74 LEU H . . 3.220 2.741 2.634 2.839 . 0 0 "[ . 1 . 2]" 1
2014 1 73 GLN HA 1 74 LEU QB . . 4.970 4.875 4.732 4.950 . 0 0 "[ . 1 . 2]" 1
2015 1 73 GLN HA 1 74 LEU MD2 . . 5.500 5.319 5.109 5.504 0.004 18 0 "[ . 1 . 2]" 1
2016 1 73 GLN HA 1 74 LEU HG . . 5.500 4.454 4.242 4.685 . 0 0 "[ . 1 . 2]" 1
2017 1 73 GLN HE22 1 73 GLN QG . . 3.720 3.242 3.222 3.485 . 0 0 "[ . 1 . 2]" 1
2018 1 73 GLN QG 1 74 LEU H . . 4.060 4.004 3.873 4.189 0.129 5 0 "[ . 1 . 2]" 1
2019 1 74 LEU H 1 74 LEU QB . . 2.890 2.455 2.359 2.544 . 0 0 "[ . 1 . 2]" 1
2020 1 74 LEU H 1 74 LEU MD1 . . 3.770 3.164 2.898 3.450 . 0 0 "[ . 1 . 2]" 1
2021 1 74 LEU H 1 74 LEU MD2 . . 3.620 3.517 3.301 3.624 0.004 5 0 "[ . 1 . 2]" 1
2022 1 74 LEU H 1 74 LEU HG . . 2.940 2.065 1.941 2.242 . 0 0 "[ . 1 . 2]" 1
2023 1 74 LEU H 1 75 ASN H . . 4.880 4.524 4.431 4.622 . 0 0 "[ . 1 . 2]" 1
2024 1 74 LEU HA 1 74 LEU MD1 . . 4.140 3.982 3.925 4.018 . 0 0 "[ . 1 . 2]" 1
2025 1 74 LEU HA 1 74 LEU MD2 . . 3.040 2.460 2.176 2.689 . 0 0 "[ . 1 . 2]" 1
2026 1 74 LEU HA 1 74 LEU HG . . 4.000 3.027 2.940 3.139 . 0 0 "[ . 1 . 2]" 1
2027 1 74 LEU HA 1 75 ASN H . . 2.850 2.664 2.512 2.834 . 0 0 "[ . 1 . 2]" 1
2028 1 74 LEU HA 1 75 ASN HA . . 4.440 4.352 4.247 4.423 . 0 0 "[ . 1 . 2]" 1
2029 1 74 LEU HA 1 78 GLN QB . . 4.330 3.644 3.307 3.909 . 0 0 "[ . 1 . 2]" 1
2030 1 74 LEU HA 1 78 GLN QG . . 5.340 3.861 3.596 4.208 . 0 0 "[ . 1 . 2]" 1
2031 1 74 LEU QB 1 74 LEU MD1 . . 3.150 2.073 1.943 2.115 . 0 0 "[ . 1 . 2]" 1
2032 1 74 LEU QB 1 75 ASN H . . 3.350 2.212 2.046 2.403 . 0 0 "[ . 1 . 2]" 1
2033 1 74 LEU QB 1 75 ASN HB2 . . 5.360 4.405 4.058 5.295 . 0 0 "[ . 1 . 2]" 1
2034 1 74 LEU QB 1 75 ASN QB . . 4.600 4.129 3.916 4.463 . 0 0 "[ . 1 . 2]" 1
2035 1 74 LEU QB 1 75 ASN HB3 . . 5.360 5.116 4.519 5.483 0.123 16 0 "[ . 1 . 2]" 1
2036 1 74 LEU QB 1 78 GLN HB2 . . 4.240 3.022 2.401 3.384 . 0 0 "[ . 1 . 2]" 1
2037 1 74 LEU QB 1 78 GLN QB . . 3.610 1.962 1.871 2.026 . 0 0 "[ . 1 . 2]" 1
2038 1 74 LEU QB 1 78 GLN HB3 . . 4.240 1.995 1.942 2.050 . 0 0 "[ . 1 . 2]" 1
2039 1 74 LEU MD1 1 75 ASN H . . 4.520 4.393 4.207 4.611 0.091 16 0 "[ . 1 . 2]" 1
2040 1 74 LEU MD1 1 78 GLN H . . 5.500 5.423 5.151 5.507 0.007 4 0 "[ . 1 . 2]" 1
2041 1 74 LEU MD1 1 78 GLN HB2 . . 4.570 4.443 4.097 4.849 0.279 6 0 "[ . 1 . 2]" 1
2042 1 74 LEU MD1 1 78 GLN QB . . 3.980 3.372 2.674 3.708 . 0 0 "[ . 1 . 2]" 1
2043 1 74 LEU MD1 1 78 GLN HB3 . . 4.570 3.505 2.710 3.865 . 0 0 "[ . 1 . 2]" 1
2044 1 74 LEU MD1 1 78 GLN HG2 . . 4.300 2.900 2.105 4.788 0.488 7 0 "[ . 1 . 2]" 1
2045 1 74 LEU MD1 1 78 GLN HG3 . . 4.300 2.585 2.104 3.499 . 0 0 "[ . 1 . 2]" 1
2046 1 74 LEU MD1 1 79 ALA H . . 5.500 4.834 4.497 5.460 . 0 0 "[ . 1 . 2]" 1
2047 1 74 LEU MD1 1 80 PHE H . . 4.500 4.305 3.811 4.509 0.009 7 0 "[ . 1 . 2]" 1
2048 1 74 LEU MD1 1 80 PHE HA . . 4.630 3.886 3.389 4.304 . 0 0 "[ . 1 . 2]" 1
2049 1 74 LEU MD1 1 80 PHE HB2 . . 3.830 2.209 1.892 2.451 . 0 0 "[ . 1 . 2]" 1
2050 1 74 LEU MD1 1 80 PHE HB3 . . 4.280 2.769 2.452 3.061 . 0 0 "[ . 1 . 2]" 1
2051 1 74 LEU MD1 1 80 PHE QD . . 4.080 3.288 2.657 3.652 . 0 0 "[ . 1 . 2]" 1
2052 1 74 LEU MD1 1 80 PHE QE . . 5.240 4.606 4.153 4.995 . 0 0 "[ . 1 . 2]" 1
2053 1 74 LEU MD2 1 75 ASN H . . 3.770 3.704 3.483 3.878 0.108 11 0 "[ . 1 . 2]" 1
2054 1 74 LEU MD2 1 78 GLN HB2 . . 4.370 3.604 3.345 3.807 . 0 0 "[ . 1 . 2]" 1
2055 1 74 LEU MD2 1 78 GLN QB . . 3.570 3.106 2.891 3.275 . 0 0 "[ . 1 . 2]" 1
2056 1 74 LEU MD2 1 78 GLN HB3 . . 4.370 3.398 3.139 3.572 . 0 0 "[ . 1 . 2]" 1
2057 1 74 LEU MD2 1 78 GLN HE21 . . 4.230 4.213 3.223 4.479 0.249 2 0 "[ . 1 . 2]" 1
2058 1 74 LEU MD2 1 78 GLN HE22 . . 4.660 4.655 4.248 4.744 0.084 5 0 "[ . 1 . 2]" 1
2059 1 74 LEU MD2 1 78 GLN HG2 . . 3.900 2.243 1.860 3.630 . 0 0 "[ . 1 . 2]" 1
2060 1 74 LEU MD2 1 78 GLN QG . . 3.380 1.927 1.848 2.105 . 0 0 "[ . 1 . 2]" 1
2061 1 74 LEU MD2 1 78 GLN HG3 . . 3.900 2.965 1.934 3.466 . 0 0 "[ . 1 . 2]" 1
2062 1 74 LEU MD2 1 80 PHE HB2 . . 4.610 4.234 4.007 4.523 . 0 0 "[ . 1 . 2]" 1
2063 1 74 LEU HG 1 75 ASN H . . 5.190 4.801 4.667 4.906 . 0 0 "[ . 1 . 2]" 1
2064 1 75 ASN H 1 75 ASN HB2 . . 3.590 2.503 2.151 3.595 0.005 13 0 "[ . 1 . 2]" 1
2065 1 75 ASN H 1 75 ASN HB3 . . 3.590 3.299 2.713 3.587 . 0 0 "[ . 1 . 2]" 1
2066 1 75 ASN H 1 78 GLN H . . 4.060 3.034 2.773 3.330 . 0 0 "[ . 1 . 2]" 1
2067 1 75 ASN H 1 78 GLN HB2 . . 4.270 3.039 1.954 3.552 . 0 0 "[ . 1 . 2]" 1
2068 1 75 ASN H 1 78 GLN QB . . 3.750 2.015 1.928 2.196 . 0 0 "[ . 1 . 2]" 1
2069 1 75 ASN H 1 78 GLN HB3 . . 4.270 2.203 1.945 3.303 . 0 0 "[ . 1 . 2]" 1
2070 1 75 ASN H 1 78 GLN HG2 . . 4.590 3.844 3.285 4.600 0.010 2 0 "[ . 1 . 2]" 1
2071 1 75 ASN H 1 78 GLN HG3 . . 4.590 4.189 3.268 4.594 0.004 20 0 "[ . 1 . 2]" 1
2072 1 75 ASN QB 1 76 ALA HA . . 5.340 4.306 4.146 4.657 . 0 0 "[ . 1 . 2]" 1
2073 1 75 ASN QB 1 76 ALA MB . . 5.100 3.678 3.348 4.306 . 0 0 "[ . 1 . 2]" 1
2074 1 75 ASN QB 1 78 GLN H . . 4.010 2.834 1.977 3.609 . 0 0 "[ . 1 . 2]" 1
2075 1 76 ALA HA 1 77 ASN QB . . 5.500 5.285 5.065 5.442 . 0 0 "[ . 1 . 2]" 1
2076 1 76 ALA HA 1 78 GLN H . . 4.400 4.065 3.700 4.403 0.003 7 0 "[ . 1 . 2]" 1
2077 1 76 ALA MB 1 77 ASN H . . 3.900 3.007 2.573 3.342 . 0 0 "[ . 1 . 2]" 1
2078 1 76 ALA MB 1 77 ASN HA . . 4.700 3.870 3.650 4.108 . 0 0 "[ . 1 . 2]" 1
2079 1 76 ALA MB 1 77 ASN QB . . 4.510 4.305 3.945 4.676 0.166 1 0 "[ . 1 . 2]" 1
2080 1 76 ALA MB 1 78 GLN H . . 4.580 4.572 4.385 4.823 0.243 7 0 "[ . 1 . 2]" 1
2081 1 77 ASN H 1 77 ASN QB . . 3.330 2.307 2.096 2.517 . 0 0 "[ . 1 . 2]" 1
2082 1 77 ASN H 1 78 GLN H . . 3.090 2.413 1.901 2.797 . 0 0 "[ . 1 . 2]" 1
2083 1 77 ASN QB 1 78 GLN H . . 4.220 2.876 2.567 3.720 . 0 0 "[ . 1 . 2]" 1
2084 1 77 ASN QD 1 78 GLN H . . 4.570 4.142 2.862 4.656 0.086 13 0 "[ . 1 . 2]" 1
2085 1 78 GLN H 1 78 GLN HB2 . . 2.960 2.742 2.009 3.029 0.069 5 0 "[ . 1 . 2]" 1
2086 1 78 GLN H 1 78 GLN HB3 . . 2.960 2.449 2.284 3.204 0.244 7 0 "[ . 1 . 2]" 1
2087 1 78 GLN H 1 78 GLN HG2 . . 4.920 4.434 3.550 4.612 . 0 0 "[ . 1 . 2]" 1
2088 1 78 GLN H 1 78 GLN QG . . 4.230 3.837 3.410 3.914 . 0 0 "[ . 1 . 2]" 1
2089 1 78 GLN H 1 78 GLN HG3 . . 4.920 4.258 4.156 4.504 . 0 0 "[ . 1 . 2]" 1
2090 1 78 GLN H 1 79 ALA H . . 4.820 4.553 4.379 4.661 . 0 0 "[ . 1 . 2]" 1
2091 1 78 GLN HA 1 78 GLN HE21 . . 4.000 3.271 2.930 3.635 . 0 0 "[ . 1 . 2]" 1
2092 1 78 GLN HA 1 78 GLN HE22 . . 4.060 3.739 3.501 3.959 . 0 0 "[ . 1 . 2]" 1
2093 1 78 GLN HA 1 78 GLN HG2 . . 3.880 3.580 2.293 3.871 . 0 0 "[ . 1 . 2]" 1
2094 1 78 GLN HA 1 78 GLN QG . . 3.300 2.903 2.268 3.077 . 0 0 "[ . 1 . 2]" 1
2095 1 78 GLN HA 1 78 GLN HG3 . . 3.880 3.245 3.066 3.597 . 0 0 "[ . 1 . 2]" 1
2096 1 78 GLN HA 1 79 ALA H . . 2.590 2.259 2.202 2.337 . 0 0 "[ . 1 . 2]" 1
2097 1 78 GLN HA 1 79 ALA MB . . 3.960 3.897 3.806 3.970 0.010 6 0 "[ . 1 . 2]" 1
2098 1 78 GLN QB 1 78 GLN HE22 . . 4.410 4.176 3.674 4.338 . 0 0 "[ . 1 . 2]" 1
2099 1 78 GLN QB 1 78 GLN QG . . 2.340 2.031 1.986 2.042 . 0 0 "[ . 1 . 2]" 1
2100 1 78 GLN HB2 1 78 GLN HE21 . . 4.490 4.100 3.804 4.314 . 0 0 "[ . 1 . 2]" 1
2101 1 78 GLN HB2 1 79 ALA H . . 4.350 4.153 3.999 4.323 . 0 0 "[ . 1 . 2]" 1
2102 1 78 GLN HB3 1 78 GLN HE21 . . 4.490 4.129 2.374 4.444 . 0 0 "[ . 1 . 2]" 1
2103 1 78 GLN HB3 1 79 ALA H . . 4.350 4.171 3.358 4.518 0.168 6 0 "[ . 1 . 2]" 1
2104 1 78 GLN HE21 1 78 GLN HG2 . . 3.360 3.226 2.077 3.561 0.201 7 0 "[ . 1 . 2]" 1
2105 1 78 GLN HE21 1 78 GLN QG . . 2.890 2.129 2.054 2.455 . 0 0 "[ . 1 . 2]" 1
2106 1 78 GLN HE21 1 78 GLN HG3 . . 3.360 2.273 2.102 3.270 . 0 0 "[ . 1 . 2]" 1
2107 1 78 GLN HE21 1 79 ALA H . . 3.930 2.081 1.894 2.808 . 0 0 "[ . 1 . 2]" 1
2108 1 78 GLN HE21 1 79 ALA MB . . 4.200 3.413 3.087 4.208 0.008 1 0 "[ . 1 . 2]" 1
2109 1 78 GLN HE21 1 116 SER HA . . 5.120 3.933 3.301 5.134 0.014 7 0 "[ . 1 . 2]" 1
2110 1 78 GLN HE21 1 116 SER QB . . 4.600 2.896 2.331 4.152 . 0 0 "[ . 1 . 2]" 1
2111 1 78 GLN HE22 1 78 GLN HG2 . . 4.060 3.967 3.419 4.142 0.082 1 0 "[ . 1 . 2]" 1
2112 1 78 GLN HE22 1 78 GLN QG . . 3.390 3.273 3.234 3.401 0.011 7 0 "[ . 1 . 2]" 1
2113 1 78 GLN HE22 1 78 GLN HG3 . . 4.060 3.523 3.445 3.995 . 0 0 "[ . 1 . 2]" 1
2114 1 78 GLN HE22 1 79 ALA H . . 4.230 2.728 2.014 3.490 . 0 0 "[ . 1 . 2]" 1
2115 1 78 GLN HE22 1 79 ALA MB . . 5.240 3.796 3.142 4.191 . 0 0 "[ . 1 . 2]" 1
2116 1 78 GLN HE22 1 116 SER HA . . 5.070 3.988 3.011 4.901 . 0 0 "[ . 1 . 2]" 1
2117 1 78 GLN HE22 1 116 SER QB . . 4.430 2.240 1.933 2.897 . 0 0 "[ . 1 . 2]" 1
2118 1 78 GLN QG 1 79 ALA H . . 3.540 3.018 2.467 3.626 0.086 7 0 "[ . 1 . 2]" 1
2119 1 78 GLN HG2 1 79 ALA H . . 4.260 4.238 3.165 4.863 0.603 6 1 "[ .+ 1 . 2]" 1
2120 1 78 GLN HG3 1 79 ALA H . . 4.260 3.212 2.489 4.158 . 0 0 "[ . 1 . 2]" 1
2121 1 79 ALA H 1 79 ALA MB . . 2.800 2.316 2.185 2.437 . 0 0 "[ . 1 . 2]" 1
2122 1 79 ALA H 1 80 PHE H . . 4.620 4.501 4.394 4.600 . 0 0 "[ . 1 . 2]" 1
2123 1 79 ALA H 1 116 SER QB . . 4.070 3.863 3.146 4.504 0.434 12 0 "[ . 1 . 2]" 1
2124 1 79 ALA HA 1 80 PHE H . . 2.530 2.235 2.199 2.307 . 0 0 "[ . 1 . 2]" 1
2125 1 79 ALA HA 1 80 PHE HB2 . . 4.850 4.837 4.644 4.910 0.060 18 0 "[ . 1 . 2]" 1
2126 1 79 ALA HA 1 80 PHE HB3 . . 4.460 4.026 3.978 4.122 . 0 0 "[ . 1 . 2]" 1
2127 1 79 ALA HA 1 80 PHE QD . . 5.500 5.548 5.520 5.633 0.133 17 0 "[ . 1 . 2]" 1
2128 1 79 ALA HA 1 81 PHE QE . . 5.500 5.318 4.854 5.497 . 0 0 "[ . 1 . 2]" 1
2129 1 79 ALA MB 1 80 PHE H . . 3.220 3.070 2.920 3.202 . 0 0 "[ . 1 . 2]" 1
2130 1 79 ALA MB 1 81 PHE QD . . 4.100 3.796 3.436 4.107 0.007 19 0 "[ . 1 . 2]" 1
2131 1 79 ALA MB 1 81 PHE QE . . 3.310 3.292 3.097 3.337 0.027 9 0 "[ . 1 . 2]" 1
2132 1 79 ALA MB 1 116 SER H . . 5.500 5.522 5.490 5.568 0.068 17 0 "[ . 1 . 2]" 1
2133 1 79 ALA MB 1 116 SER HA . . 3.730 3.374 3.241 3.521 . 0 0 "[ . 1 . 2]" 1
2134 1 79 ALA MB 1 116 SER QB . . 4.120 3.492 2.780 3.907 . 0 0 "[ . 1 . 2]" 1
2135 1 80 PHE H 1 80 PHE HB2 . . 3.660 3.473 3.314 3.549 . 0 0 "[ . 1 . 2]" 1
2136 1 80 PHE H 1 80 PHE HB3 . . 3.420 2.436 2.208 2.705 . 0 0 "[ . 1 . 2]" 1
2137 1 80 PHE H 1 80 PHE QD . . 4.160 3.823 3.618 3.973 . 0 0 "[ . 1 . 2]" 1
2138 1 80 PHE H 1 81 PHE H . . 4.640 4.345 4.225 4.471 . 0 0 "[ . 1 . 2]" 1
2139 1 80 PHE H 1 81 PHE QE . . 5.050 4.852 4.320 5.329 0.279 10 0 "[ . 1 . 2]" 1
2140 1 80 PHE HA 1 80 PHE QD . . 4.440 2.928 2.653 3.374 . 0 0 "[ . 1 . 2]" 1
2141 1 80 PHE HA 1 81 PHE H . . 2.710 2.243 2.193 2.317 . 0 0 "[ . 1 . 2]" 1
2142 1 80 PHE HA 1 115 ALA H . . 4.190 4.313 4.038 4.677 0.487 13 0 "[ . 1 . 2]" 1
2143 1 80 PHE HA 1 115 ALA MB . . 5.340 5.303 5.000 5.516 0.176 17 0 "[ . 1 . 2]" 1
2144 1 80 PHE HB2 1 81 PHE H . . 4.140 3.885 3.759 4.109 . 0 0 "[ . 1 . 2]" 1
2145 1 80 PHE HB3 1 81 PHE H . . 4.530 4.415 4.235 4.570 0.040 17 0 "[ . 1 . 2]" 1
2146 1 80 PHE QD 1 81 PHE H . . 3.400 2.816 2.508 3.363 . 0 0 "[ . 1 . 2]" 1
2147 1 80 PHE QD 1 82 LEU H . . 4.810 4.521 3.678 4.925 0.115 2 0 "[ . 1 . 2]" 1
2148 1 80 PHE QD 1 115 ALA H . . 4.050 3.759 3.273 4.282 0.232 19 0 "[ . 1 . 2]" 1
2149 1 80 PHE QE 1 82 LEU QB . . 4.820 2.686 1.940 3.018 . 0 0 "[ . 1 . 2]" 1
2150 1 80 PHE QE 1 82 LEU QD . . 3.510 2.944 1.907 3.409 . 0 0 "[ . 1 . 2]" 1
2151 1 80 PHE QE 1 83 LEU H . . 5.500 5.482 4.921 5.583 0.083 7 0 "[ . 1 . 2]" 1
2152 1 80 PHE HZ 1 82 LEU QD . . 3.890 2.621 1.875 3.085 . 0 0 "[ . 1 . 2]" 1
2153 1 81 PHE H 1 81 PHE HB2 . . 3.570 2.478 2.268 2.547 . 0 0 "[ . 1 . 2]" 1
2154 1 81 PHE H 1 81 PHE HB3 . . 3.860 3.641 3.553 3.737 . 0 0 "[ . 1 . 2]" 1
2155 1 81 PHE H 1 82 LEU H . . 4.410 4.183 4.075 4.297 . 0 0 "[ . 1 . 2]" 1
2156 1 81 PHE H 1 83 LEU QD . . 5.440 4.014 3.795 4.343 . 0 0 "[ . 1 . 2]" 1
2157 1 81 PHE H 1 114 TYR HA . . 4.720 4.414 4.093 4.601 . 0 0 "[ . 1 . 2]" 1
2158 1 81 PHE H 1 115 ALA MB . . 4.320 4.481 4.320 4.589 0.269 5 0 "[ . 1 . 2]" 1
2159 1 81 PHE H 1 117 GLN H . . 4.340 3.984 3.674 4.280 . 0 0 "[ . 1 . 2]" 1
2160 1 81 PHE HA 1 81 PHE QD . . 4.000 2.375 2.176 2.779 . 0 0 "[ . 1 . 2]" 1
2161 1 81 PHE HA 1 82 LEU H . . 3.060 2.203 2.193 2.234 . 0 0 "[ . 1 . 2]" 1
2162 1 81 PHE HA 1 82 LEU QB . . 5.250 4.002 3.916 4.071 . 0 0 "[ . 1 . 2]" 1
2163 1 81 PHE HA 1 82 LEU QD . . 5.180 5.059 4.754 5.223 0.043 1 0 "[ . 1 . 2]" 1
2164 1 81 PHE HA 1 83 LEU MD1 . . 4.890 5.227 4.409 5.500 0.610 3 8 "[* +*- * *1 ** 2]" 1
2165 1 81 PHE HA 1 83 LEU MD2 . . 4.890 4.179 3.825 5.068 0.178 12 0 "[ . 1 . 2]" 1
2166 1 81 PHE HA 1 89 MET ME . . 4.360 3.467 2.887 4.358 . 0 0 "[ . 1 . 2]" 1
2167 1 81 PHE HB2 1 82 LEU H . . 4.640 4.470 4.375 4.547 . 0 0 "[ . 1 . 2]" 1
2168 1 81 PHE HB2 1 83 LEU MD1 . . 4.190 4.453 3.841 4.571 0.381 13 0 "[ . 1 . 2]" 1
2169 1 81 PHE HB2 1 83 LEU QD . . 3.620 3.034 2.701 3.480 . 0 0 "[ . 1 . 2]" 1
2170 1 81 PHE HB2 1 83 LEU MD2 . . 4.190 3.102 2.733 3.776 . 0 0 "[ . 1 . 2]" 1
2171 1 81 PHE HB2 1 117 GLN H . . 4.680 3.114 2.197 3.343 . 0 0 "[ . 1 . 2]" 1
2172 1 81 PHE HB2 1 118 GLU HA . . 4.290 3.639 3.282 4.124 . 0 0 "[ . 1 . 2]" 1
2173 1 81 PHE HB3 1 82 LEU H . . 4.140 3.561 3.317 3.726 . 0 0 "[ . 1 . 2]" 1
2174 1 81 PHE HB3 1 83 LEU MD1 . . 4.130 3.324 2.571 3.536 . 0 0 "[ . 1 . 2]" 1
2175 1 81 PHE HB3 1 83 LEU QD . . 3.630 2.423 2.225 2.555 . 0 0 "[ . 1 . 2]" 1
2176 1 81 PHE HB3 1 83 LEU MD2 . . 4.130 2.526 2.265 3.300 . 0 0 "[ . 1 . 2]" 1
2177 1 81 PHE HB3 1 117 GLN H . . 4.840 4.605 3.617 4.857 0.017 9 0 "[ . 1 . 2]" 1
2178 1 81 PHE HB3 1 118 GLU HA . . 4.170 3.118 2.652 3.313 . 0 0 "[ . 1 . 2]" 1
2179 1 81 PHE HB3 1 118 GLU HG3 . . 4.660 4.169 4.043 4.319 . 0 0 "[ . 1 . 2]" 1
2180 1 81 PHE QD 1 82 LEU H . . 5.000 3.612 3.340 4.048 . 0 0 "[ . 1 . 2]" 1
2181 1 81 PHE QD 1 83 LEU MD1 . . 4.960 4.613 3.891 4.868 . 0 0 "[ . 1 . 2]" 1
2182 1 81 PHE QD 1 83 LEU QD . . 4.200 3.862 3.626 3.992 . 0 0 "[ . 1 . 2]" 1
2183 1 81 PHE QD 1 83 LEU MD2 . . 4.960 4.190 3.891 4.801 . 0 0 "[ . 1 . 2]" 1
2184 1 81 PHE QD 1 116 SER HA . . 4.400 3.818 3.097 4.409 0.009 9 0 "[ . 1 . 2]" 1
2185 1 81 PHE QD 1 117 GLN H . . 3.740 3.455 2.687 3.754 0.014 3 0 "[ . 1 . 2]" 1
2186 1 81 PHE QD 1 117 GLN HA . . 4.060 2.867 1.999 3.419 . 0 0 "[ . 1 . 2]" 1
2187 1 81 PHE QD 1 118 GLU HB2 . . 4.530 2.796 2.325 3.012 . 0 0 "[ . 1 . 2]" 1
2188 1 81 PHE QD 1 118 GLU HB3 . . 4.830 2.940 2.682 3.398 . 0 0 "[ . 1 . 2]" 1
2189 1 81 PHE QD 1 118 GLU HG3 . . 5.190 4.567 4.026 4.878 . 0 0 "[ . 1 . 2]" 1
2190 1 81 PHE QE 1 89 MET ME . . 5.470 3.556 2.969 4.043 . 0 0 "[ . 1 . 2]" 1
2191 1 82 LEU H 1 82 LEU QB . . 3.590 2.250 2.134 2.344 . 0 0 "[ . 1 . 2]" 1
2192 1 82 LEU H 1 82 LEU QD . . 3.820 3.715 3.603 3.807 . 0 0 "[ . 1 . 2]" 1
2193 1 82 LEU H 1 82 LEU HG . . 4.870 4.426 4.121 4.723 . 0 0 "[ . 1 . 2]" 1
2194 1 82 LEU H 1 83 LEU H . . 4.950 4.415 4.323 4.556 . 0 0 "[ . 1 . 2]" 1
2195 1 82 LEU H 1 83 LEU MD1 . . 4.660 4.799 3.668 5.307 0.647 3 4 "[- + . 1 ** 2]" 1
2196 1 82 LEU H 1 83 LEU MD2 . . 4.660 3.855 3.470 4.664 0.004 12 0 "[ . 1 . 2]" 1
2197 1 82 LEU H 1 88 SER QB . . 5.500 5.360 4.976 5.542 0.042 7 0 "[ . 1 . 2]" 1
2198 1 82 LEU H 1 89 MET ME . . 4.190 3.001 2.337 3.621 . 0 0 "[ . 1 . 2]" 1
2199 1 82 LEU HA 1 82 LEU QD . . 3.130 1.920 1.844 2.097 . 0 0 "[ . 1 . 2]" 1
2200 1 82 LEU HA 1 83 LEU H . . 2.980 2.183 2.176 2.230 . 0 0 "[ . 1 . 2]" 1
2201 1 82 LEU HA 1 83 LEU QD . . 4.180 2.923 2.670 3.289 . 0 0 "[ . 1 . 2]" 1
2202 1 82 LEU HA 1 113 VAL H . . 5.160 5.189 4.575 5.509 0.349 13 0 "[ . 1 . 2]" 1
2203 1 82 LEU HA 1 114 TYR HA . . 3.840 2.288 1.999 2.509 . 0 0 "[ . 1 . 2]" 1
2204 1 82 LEU HA 1 115 ALA H . . 4.280 3.770 3.636 4.033 . 0 0 "[ . 1 . 2]" 1
2205 1 82 LEU QB 1 83 LEU H . . 3.970 3.843 3.512 3.945 . 0 0 "[ . 1 . 2]" 1
2206 1 82 LEU QB 1 84 VAL H . . 5.500 4.981 4.467 5.253 . 0 0 "[ . 1 . 2]" 1
2207 1 82 LEU QB 1 114 TYR HA . . 5.500 4.301 4.123 4.543 . 0 0 "[ . 1 . 2]" 1
2208 1 82 LEU QD 1 83 LEU H . . 3.350 2.161 1.923 2.426 . 0 0 "[ . 1 . 2]" 1
2209 1 82 LEU QD 1 112 MET HA . . 4.250 3.831 3.472 4.359 0.109 13 0 "[ . 1 . 2]" 1
2210 1 82 LEU QD 1 112 MET QB . . 3.440 1.949 1.691 2.312 . 0 0 "[ . 1 . 2]" 1
2211 1 82 LEU QD 1 112 MET QG . . 3.800 3.550 3.199 3.930 0.130 13 0 "[ . 1 . 2]" 1
2212 1 82 LEU QD 1 113 VAL H . . 4.140 3.255 2.707 3.561 . 0 0 "[ . 1 . 2]" 1
2213 1 82 LEU QD 1 114 TYR H . . 4.200 3.331 2.777 3.832 . 0 0 "[ . 1 . 2]" 1
2214 1 82 LEU QD 1 114 TYR HA . . 3.930 2.646 2.452 2.898 . 0 0 "[ . 1 . 2]" 1
2215 1 82 LEU QD 1 114 TYR HB2 . . 3.450 2.939 2.479 3.537 0.087 10 0 "[ . 1 . 2]" 1
2216 1 82 LEU QD 1 114 TYR HB3 . . 3.620 2.089 1.952 2.562 . 0 0 "[ . 1 . 2]" 1
2217 1 82 LEU QD 1 115 ALA H . . 4.510 4.394 4.155 4.707 0.197 10 0 "[ . 1 . 2]" 1
2218 1 82 LEU HG 1 83 LEU H . . 3.570 4.300 3.951 4.498 0.928 13 17 "[*** ***-*1**+**** **]" 1
2219 1 83 LEU H 1 83 LEU QB . . 3.330 2.251 2.121 2.388 . 0 0 "[ . 1 . 2]" 1
2220 1 83 LEU H 1 83 LEU MD1 . . 3.750 3.674 2.833 3.887 0.137 11 0 "[ . 1 . 2]" 1
2221 1 83 LEU H 1 83 LEU MD2 . . 3.750 2.013 1.864 2.358 . 0 0 "[ . 1 . 2]" 1
2222 1 83 LEU H 1 83 LEU HG . . 4.420 3.992 3.729 4.437 0.017 10 0 "[ . 1 . 2]" 1
2223 1 83 LEU H 1 84 VAL H . . 4.650 4.359 4.130 4.453 . 0 0 "[ . 1 . 2]" 1
2224 1 83 LEU H 1 112 MET HA . . 4.960 5.203 4.612 5.535 0.575 5 4 "[ +* *1 - . 2]" 1
2225 1 83 LEU H 1 112 MET QB . . 4.100 3.989 3.759 4.213 0.113 6 0 "[ . 1 . 2]" 1
2226 1 83 LEU H 1 112 MET QG . . 4.260 5.976 5.530 6.328 2.068 5 20 [****+**************-] 1
2227 1 83 LEU H 1 113 VAL H . . 3.660 3.485 2.674 3.706 0.046 8 0 "[ . 1 . 2]" 1
2228 1 83 LEU H 1 113 VAL HB . . 4.170 4.554 4.228 4.694 0.524 5 2 "[ + 1 - . 2]" 1
2229 1 83 LEU H 1 113 VAL MG2 . . 5.010 5.462 5.152 5.593 0.583 5 8 "[ *+* **1 * . - *2]" 1
2230 1 83 LEU H 1 114 TYR H . . 5.360 4.420 4.228 4.621 . 0 0 "[ . 1 . 2]" 1
2231 1 83 LEU H 1 114 TYR HA . . 3.950 2.560 2.420 2.793 . 0 0 "[ . 1 . 2]" 1
2232 1 83 LEU H 1 114 TYR HB3 . . 4.970 4.203 3.954 4.366 . 0 0 "[ . 1 . 2]" 1
2233 1 83 LEU H 1 115 ALA H . . 5.500 4.441 4.148 4.837 . 0 0 "[ . 1 . 2]" 1
2234 1 83 LEU HA 1 83 LEU MD1 . . 3.660 2.153 1.899 2.438 . 0 0 "[ . 1 . 2]" 1
2235 1 83 LEU HA 1 83 LEU QD . . 3.060 2.072 1.892 2.233 . 0 0 "[ . 1 . 2]" 1
2236 1 83 LEU HA 1 83 LEU MD2 . . 3.660 2.896 2.590 3.532 . 0 0 "[ . 1 . 2]" 1
2237 1 83 LEU HA 1 83 LEU HG . . 3.890 3.710 3.458 3.799 . 0 0 "[ . 1 . 2]" 1
2238 1 83 LEU HA 1 84 VAL H . . 2.990 2.185 2.176 2.213 . 0 0 "[ . 1 . 2]" 1
2239 1 83 LEU HA 1 89 MET ME . . 3.870 4.291 3.970 4.691 0.821 12 4 "[ . * + . *-2]" 1
2240 1 83 LEU HA 1 89 MET QG . . 4.270 4.123 3.985 4.210 . 0 0 "[ . 1 . 2]" 1
2241 1 83 LEU QB 1 83 LEU QD . . 2.830 1.966 1.911 2.015 . 0 0 "[ . 1 . 2]" 1
2242 1 83 LEU QB 1 84 VAL H . . 4.540 3.521 3.377 3.683 . 0 0 "[ . 1 . 2]" 1
2243 1 83 LEU QB 1 86 GLY H . . 3.950 2.876 2.747 3.000 . 0 0 "[ . 1 . 2]" 1
2244 1 83 LEU QB 1 86 GLY HA2 . . 4.590 2.434 2.216 2.576 . 0 0 "[ . 1 . 2]" 1
2245 1 83 LEU QB 1 86 GLY HA3 . . 4.770 3.787 3.635 3.890 . 0 0 "[ . 1 . 2]" 1
2246 1 83 LEU QB 1 87 HIS H . . 3.750 2.971 2.858 3.095 . 0 0 "[ . 1 . 2]" 1
2247 1 83 LEU QB 1 88 SER QB . . 4.760 4.826 4.361 5.344 0.584 6 2 "[ - .+ 1 . 2]" 1
2248 1 83 LEU QB 1 112 MET QG . . 5.500 5.806 5.511 6.202 0.702 10 2 "[ . + . - 2]" 1
2249 1 83 LEU QB 1 113 VAL H . . 3.880 2.937 2.801 3.110 . 0 0 "[ . 1 . 2]" 1
2250 1 83 LEU QB 1 113 VAL HB . . 3.960 3.064 2.924 3.111 . 0 0 "[ . 1 . 2]" 1
2251 1 83 LEU QD 1 84 VAL H . . 3.850 3.544 3.393 3.664 . 0 0 "[ . 1 . 2]" 1
2252 1 83 LEU QD 1 87 HIS H . . 5.080 3.761 3.500 4.389 . 0 0 "[ . 1 . 2]" 1
2253 1 83 LEU QD 1 87 HIS HA . . 4.200 2.683 2.526 3.722 . 0 0 "[ . 1 . 2]" 1
2254 1 83 LEU QD 1 88 SER H . . 4.510 2.209 2.003 2.776 . 0 0 "[ . 1 . 2]" 1
2255 1 83 LEU QD 1 88 SER HA . . 3.310 1.985 1.914 2.272 . 0 0 "[ . 1 . 2]" 1
2256 1 83 LEU QD 1 88 SER QB . . 3.380 2.213 1.900 2.590 . 0 0 "[ . 1 . 2]" 1
2257 1 83 LEU QD 1 89 MET H . . 4.510 3.927 3.853 4.029 . 0 0 "[ . 1 . 2]" 1
2258 1 83 LEU QD 1 89 MET ME . . 4.640 3.503 3.327 3.765 . 0 0 "[ . 1 . 2]" 1
2259 1 83 LEU QD 1 89 MET QG . . 5.440 4.173 3.983 4.329 . 0 0 "[ . 1 . 2]" 1
2260 1 83 LEU QD 1 113 VAL H . . 5.440 4.246 3.987 4.421 . 0 0 "[ . 1 . 2]" 1
2261 1 83 LEU QD 1 113 VAL HB . . 4.160 4.285 3.831 4.430 0.270 16 0 "[ . 1 . 2]" 1
2262 1 83 LEU QD 1 114 TYR H . . 5.240 4.486 4.310 4.682 . 0 0 "[ . 1 . 2]" 1
2263 1 83 LEU QD 1 114 TYR HA . . 4.250 2.480 2.251 2.761 . 0 0 "[ . 1 . 2]" 1
2264 1 83 LEU QD 1 115 ALA H . . 4.100 3.065 2.901 3.329 . 0 0 "[ . 1 . 2]" 1
2265 1 83 LEU QD 1 115 ALA MB . . 3.790 3.050 2.553 3.432 . 0 0 "[ . 1 . 2]" 1
2266 1 83 LEU QD 1 117 GLN H . . 5.080 3.795 3.306 3.990 . 0 0 "[ . 1 . 2]" 1
2267 1 83 LEU QD 1 118 GLU HA . . 3.250 2.226 1.980 2.425 . 0 0 "[ . 1 . 2]" 1
2268 1 83 LEU QD 1 118 GLU HG2 . . 4.660 4.092 3.785 4.263 . 0 0 "[ . 1 . 2]" 1
2269 1 83 LEU QD 1 119 THR HA . . 5.440 4.685 4.234 4.994 . 0 0 "[ . 1 . 2]" 1
2270 1 83 LEU QD 1 120 PHE QD . . 5.080 3.434 2.948 4.014 . 0 0 "[ . 1 . 2]" 1
2271 1 83 LEU QD 1 120 PHE QE . . 3.730 2.225 1.929 2.593 . 0 0 "[ . 1 . 2]" 1
2272 1 83 LEU MD1 1 86 GLY H . . 5.470 4.660 4.440 5.201 . 0 0 "[ . 1 . 2]" 1
2273 1 83 LEU MD1 1 86 GLY HA2 . . 5.170 4.251 4.073 4.923 . 0 0 "[ . 1 . 2]" 1
2274 1 83 LEU MD1 1 88 SER QB . . 4.380 2.229 1.909 2.610 . 0 0 "[ . 1 . 2]" 1
2275 1 83 LEU MD1 1 113 VAL HB . . 5.500 5.602 5.578 5.637 0.137 13 0 "[ . 1 . 2]" 1
2276 1 83 LEU MD1 1 114 TYR HA . . 5.060 5.077 4.111 5.209 0.149 9 0 "[ . 1 . 2]" 1
2277 1 83 LEU MD1 1 118 GLU H . . 5.500 4.902 4.610 5.132 . 0 0 "[ . 1 . 2]" 1
2278 1 83 LEU MD1 1 118 GLU HA . . 3.820 2.367 2.049 2.597 . 0 0 "[ . 1 . 2]" 1
2279 1 83 LEU MD1 1 120 PHE QE . . 4.460 2.442 1.946 3.213 . 0 0 "[ . 1 . 2]" 1
2280 1 83 LEU MD2 1 86 GLY H . . 5.470 5.322 5.102 5.394 . 0 0 "[ . 1 . 2]" 1
2281 1 83 LEU MD2 1 86 GLY HA2 . . 5.170 4.781 4.089 4.983 . 0 0 "[ . 1 . 2]" 1
2282 1 83 LEU MD2 1 88 SER QB . . 4.380 3.803 3.316 4.655 0.275 12 0 "[ . 1 . 2]" 1
2283 1 83 LEU MD2 1 113 VAL HB . . 5.500 4.452 3.898 4.645 . 0 0 "[ . 1 . 2]" 1
2284 1 83 LEU MD2 1 114 TYR HA . . 5.060 2.486 2.254 2.772 . 0 0 "[ . 1 . 2]" 1
2285 1 83 LEU MD2 1 118 GLU H . . 5.500 4.830 4.513 5.039 . 0 0 "[ . 1 . 2]" 1
2286 1 83 LEU MD2 1 118 GLU HA . . 3.820 2.738 2.515 2.955 . 0 0 "[ . 1 . 2]" 1
2287 1 83 LEU MD2 1 120 PHE QE . . 4.460 3.028 2.155 3.655 . 0 0 "[ . 1 . 2]" 1
2288 1 83 LEU HG 1 84 VAL H . . 5.500 5.603 5.479 5.679 0.179 17 0 "[ . 1 . 2]" 1
2289 1 83 LEU HG 1 114 TYR HA . . 5.500 5.103 4.774 5.541 0.041 12 0 "[ . 1 . 2]" 1
2290 1 84 VAL H 1 84 VAL HB . . 3.260 2.163 2.125 2.268 . 0 0 "[ . 1 . 2]" 1
2291 1 84 VAL H 1 84 VAL MG1 . . 3.840 3.588 3.538 3.675 . 0 0 "[ . 1 . 2]" 1
2292 1 84 VAL H 1 84 VAL QG . . 3.050 2.656 2.488 2.786 . 0 0 "[ . 1 . 2]" 1
2293 1 84 VAL H 1 84 VAL MG2 . . 3.840 2.741 2.533 2.915 . 0 0 "[ . 1 . 2]" 1
2294 1 84 VAL H 1 85 ASN H . . 4.650 4.393 4.333 4.437 . 0 0 "[ . 1 . 2]" 1
2295 1 84 VAL H 1 87 HIS H . . 3.620 3.200 3.102 3.556 . 0 0 "[ . 1 . 2]" 1
2296 1 84 VAL H 1 87 HIS QB . . 5.340 4.765 4.550 5.068 . 0 0 "[ . 1 . 2]" 1
2297 1 84 VAL H 1 88 SER QB . . 5.070 4.925 4.685 5.084 0.014 13 0 "[ . 1 . 2]" 1
2298 1 84 VAL H 1 89 MET ME . . 5.010 4.901 4.466 5.013 0.003 7 0 "[ . 1 . 2]" 1
2299 1 84 VAL H 1 89 MET QG . . 4.550 3.893 3.498 4.118 . 0 0 "[ . 1 . 2]" 1
2300 1 84 VAL HA 1 84 VAL MG1 . . 3.310 2.624 2.437 2.678 . 0 0 "[ . 1 . 2]" 1
2301 1 84 VAL HA 1 84 VAL MG2 . . 3.310 2.166 2.097 2.289 . 0 0 "[ . 1 . 2]" 1
2302 1 84 VAL HA 1 85 ASN H . . 3.040 2.191 2.183 2.205 . 0 0 "[ . 1 . 2]" 1
2303 1 84 VAL HA 1 86 GLY H . . 3.860 3.445 3.390 3.582 . 0 0 "[ . 1 . 2]" 1
2304 1 84 VAL HA 1 87 HIS H . . 4.790 4.173 4.091 4.284 . 0 0 "[ . 1 . 2]" 1
2305 1 84 VAL HA 1 112 MET H . . 5.500 5.239 5.020 5.525 0.025 20 0 "[ . 1 . 2]" 1
2306 1 84 VAL HA 1 112 MET HA . . 3.390 3.009 2.612 3.417 0.027 13 0 "[ . 1 . 2]" 1
2307 1 84 VAL HA 1 112 MET ME . . 4.560 4.375 4.171 4.574 0.014 18 0 "[ . 1 . 2]" 1
2308 1 84 VAL HA 1 112 MET QG . . 4.160 2.412 1.958 2.902 . 0 0 "[ . 1 . 2]" 1
2309 1 84 VAL HA 1 113 VAL H . . 4.340 4.031 3.753 4.122 . 0 0 "[ . 1 . 2]" 1
2310 1 84 VAL HB 1 85 ASN H . . 4.650 4.575 4.490 4.610 . 0 0 "[ . 1 . 2]" 1
2311 1 84 VAL HB 1 87 HIS H . . 5.090 4.106 3.909 4.307 . 0 0 "[ . 1 . 2]" 1
2312 1 84 VAL QG 1 85 ASN H . . 3.380 3.084 2.882 3.187 . 0 0 "[ . 1 . 2]" 1
2313 1 84 VAL QG 1 85 ASN QB . . 3.670 2.335 2.289 2.570 . 0 0 "[ . 1 . 2]" 1
2314 1 84 VAL QG 1 85 ASN QD . . 3.630 3.059 2.633 3.630 . 0 0 "[ . 1 . 2]" 1
2315 1 84 VAL QG 1 89 MET QG . . 3.370 3.081 2.530 3.378 0.008 14 0 "[ . 1 . 2]" 1
2316 1 84 VAL QG 1 103 GLU HB2 . . 3.770 3.795 3.518 4.067 0.297 6 0 "[ . 1 . 2]" 1
2317 1 84 VAL QG 1 103 GLU HB3 . . 3.410 3.570 3.355 3.752 0.342 13 0 "[ . 1 . 2]" 1
2318 1 84 VAL QG 1 103 GLU QG . . 3.090 2.608 2.262 3.112 0.022 16 0 "[ . 1 . 2]" 1
2319 1 84 VAL QG 1 111 TYR H . . 4.920 4.798 4.482 5.040 0.120 20 0 "[ . 1 . 2]" 1
2320 1 84 VAL QG 1 112 MET HA . . 4.820 4.047 3.725 4.337 . 0 0 "[ . 1 . 2]" 1
2321 1 84 VAL QG 1 112 MET ME . . 2.950 2.976 2.662 3.180 0.230 6 0 "[ . 1 . 2]" 1
2322 1 84 VAL MG1 1 85 ASN H . . 4.200 3.217 2.950 3.332 . 0 0 "[ . 1 . 2]" 1
2323 1 84 VAL MG1 1 112 MET ME . . 3.460 3.815 3.671 4.014 0.554 7 2 "[ -. + 1 . 2]" 1
2324 1 84 VAL MG1 1 112 MET QG . . 3.580 3.102 2.864 3.539 . 0 0 "[ . 1 . 2]" 1
2325 1 84 VAL MG2 1 85 ASN H . . 4.200 3.968 3.876 4.062 . 0 0 "[ . 1 . 2]" 1
2326 1 84 VAL MG2 1 112 MET ME . . 3.460 3.118 2.714 3.485 0.025 6 0 "[ . 1 . 2]" 1
2327 1 84 VAL MG2 1 112 MET QG . . 3.580 2.915 2.208 3.424 . 0 0 "[ . 1 . 2]" 1
2328 1 85 ASN H 1 86 GLY H . . 3.920 2.561 2.459 2.613 . 0 0 "[ . 1 . 2]" 1
2329 1 85 ASN H 1 112 MET HA . . 4.310 2.084 2.003 2.161 . 0 0 "[ . 1 . 2]" 1
2330 1 85 ASN H 1 112 MET QG . . 4.740 2.647 2.155 3.294 . 0 0 "[ . 1 . 2]" 1
2331 1 85 ASN HA 1 85 ASN QD . . 4.250 3.409 2.927 3.926 . 0 0 "[ . 1 . 2]" 1
2332 1 85 ASN HA 1 86 GLY HA2 . . 5.060 4.871 4.843 4.896 . 0 0 "[ . 1 . 2]" 1
2333 1 85 ASN HA 1 87 HIS H . . 5.250 4.533 4.372 4.614 . 0 0 "[ . 1 . 2]" 1
2334 1 85 ASN HA 1 112 MET H . . 5.500 5.419 5.147 5.532 0.032 17 0 "[ . 1 . 2]" 1
2335 1 85 ASN QB 1 85 ASN QD . . 3.080 2.140 2.054 2.214 . 0 0 "[ . 1 . 2]" 1
2336 1 85 ASN QB 1 87 HIS H . . 4.420 3.453 3.329 3.559 . 0 0 "[ . 1 . 2]" 1
2337 1 85 ASN QB 1 87 HIS HD2 . . 3.430 2.420 2.223 2.763 . 0 0 "[ . 1 . 2]" 1
2338 1 85 ASN QB 1 103 GLU HB3 . . 4.230 3.722 3.477 4.047 . 0 0 "[ . 1 . 2]" 1
2339 1 85 ASN HB2 1 85 ASN HD22 . . 4.150 3.486 3.432 3.583 . 0 0 "[ . 1 . 2]" 1
2340 1 85 ASN HB2 1 87 HIS HD2 . . 4.260 3.425 3.024 3.825 . 0 0 "[ . 1 . 2]" 1
2341 1 85 ASN HB3 1 85 ASN HD22 . . 4.150 3.953 3.667 4.125 . 0 0 "[ . 1 . 2]" 1
2342 1 85 ASN HB3 1 87 HIS HD2 . . 4.260 2.478 2.288 2.855 . 0 0 "[ . 1 . 2]" 1
2343 1 85 ASN QD 1 103 GLU HA . . 3.720 3.197 2.611 3.592 . 0 0 "[ . 1 . 2]" 1
2344 1 85 ASN QD 1 103 GLU HB2 . . 4.140 3.394 3.192 3.818 . 0 0 "[ . 1 . 2]" 1
2345 1 85 ASN QD 1 103 GLU HB3 . . 3.470 1.937 1.786 2.295 . 0 0 "[ . 1 . 2]" 1
2346 1 85 ASN QD 1 103 GLU QG . . 4.260 3.250 2.904 3.626 . 0 0 "[ . 1 . 2]" 1
2347 1 85 ASN QD 1 104 ARG H . . 4.830 4.574 4.297 4.735 . 0 0 "[ . 1 . 2]" 1
2348 1 85 ASN QD 1 110 LEU QD . . 4.720 3.177 2.601 3.953 . 0 0 "[ . 1 . 2]" 1
2349 1 85 ASN HD21 1 103 GLU HA . . 4.380 3.892 3.220 4.406 0.026 16 0 "[ . 1 . 2]" 1
2350 1 85 ASN HD21 1 103 GLU HB2 . . 4.800 3.794 3.463 4.403 . 0 0 "[ . 1 . 2]" 1
2351 1 85 ASN HD21 1 103 GLU HB3 . . 3.980 2.228 1.946 2.768 . 0 0 "[ . 1 . 2]" 1
2352 1 85 ASN HD22 1 103 GLU HA . . 4.380 3.408 2.744 3.856 . 0 0 "[ . 1 . 2]" 1
2353 1 85 ASN HD22 1 103 GLU HB2 . . 4.800 3.879 3.674 4.377 . 0 0 "[ . 1 . 2]" 1
2354 1 85 ASN HD22 1 103 GLU HB3 . . 3.980 2.192 1.947 2.628 . 0 0 "[ . 1 . 2]" 1
2355 1 86 GLY H 1 87 HIS H . . 3.500 2.193 2.103 2.398 . 0 0 "[ . 1 . 2]" 1
2356 1 86 GLY H 1 112 MET HA . . 5.160 3.386 3.234 3.612 . 0 0 "[ . 1 . 2]" 1
2357 1 86 GLY HA2 1 113 VAL HB . . 4.940 3.207 2.789 3.526 . 0 0 "[ . 1 . 2]" 1
2358 1 86 GLY HA2 1 113 VAL MG2 . . 4.480 4.313 4.022 4.482 0.002 6 0 "[ . 1 . 2]" 1
2359 1 86 GLY HA3 1 87 HIS H . . 3.530 3.412 3.334 3.456 . 0 0 "[ . 1 . 2]" 1
2360 1 86 GLY HA3 1 113 VAL HB . . 5.500 4.598 4.141 4.901 . 0 0 "[ . 1 . 2]" 1
2361 1 86 GLY HA3 1 113 VAL MG2 . . 5.500 5.065 4.729 5.254 . 0 0 "[ . 1 . 2]" 1
2362 1 87 HIS H 1 87 HIS HB2 . . 3.910 3.725 3.571 3.783 . 0 0 "[ . 1 . 2]" 1
2363 1 87 HIS H 1 87 HIS QB . . 3.230 3.064 2.987 3.120 . 0 0 "[ . 1 . 2]" 1
2364 1 87 HIS H 1 87 HIS HB3 . . 3.910 3.262 3.141 3.369 . 0 0 "[ . 1 . 2]" 1
2365 1 87 HIS H 1 87 HIS HD2 . . 4.010 3.523 2.897 3.857 . 0 0 "[ . 1 . 2]" 1
2366 1 87 HIS H 1 88 SER H . . 4.360 4.372 4.314 4.422 0.062 7 0 "[ . 1 . 2]" 1
2367 1 87 HIS HA 1 88 SER H . . 3.550 2.235 2.202 2.290 . 0 0 "[ . 1 . 2]" 1
2368 1 87 HIS QB 1 88 SER H . . 3.980 3.057 2.857 3.223 . 0 0 "[ . 1 . 2]" 1
2369 1 87 HIS HB2 1 88 SER H . . 4.580 3.155 2.927 3.389 . 0 0 "[ . 1 . 2]" 1
2370 1 87 HIS HB3 1 88 SER H . . 4.580 4.114 3.989 4.233 . 0 0 "[ . 1 . 2]" 1
2371 1 88 SER H 1 88 SER QB . . 3.530 2.588 2.024 2.877 . 0 0 "[ . 1 . 2]" 1
2372 1 88 SER HA 1 89 MET H . . 3.400 2.592 2.538 2.608 . 0 0 "[ . 1 . 2]" 1
2373 1 88 SER QB 1 89 MET H . . 4.110 2.407 2.233 3.024 . 0 0 "[ . 1 . 2]" 1
2374 1 88 SER QB 1 89 MET QB . . 5.340 4.780 4.638 5.256 . 0 0 "[ . 1 . 2]" 1
2375 1 88 SER QB 1 118 GLU HG2 . . 4.650 3.383 3.000 3.739 . 0 0 "[ . 1 . 2]" 1
2376 1 88 SER QB 1 118 GLU HG3 . . 4.810 1.946 1.797 2.190 . 0 0 "[ . 1 . 2]" 1
2377 1 89 MET H 1 89 MET QB . . 3.570 3.049 3.011 3.138 . 0 0 "[ . 1 . 2]" 1
2378 1 89 MET H 1 89 MET ME . . 4.180 1.906 1.823 2.202 . 0 0 "[ . 1 . 2]" 1
2379 1 89 MET H 1 89 MET QG . . 3.930 1.956 1.901 2.206 . 0 0 "[ . 1 . 2]" 1
2380 1 89 MET H 1 90 VAL H . . 4.060 2.607 2.113 2.930 . 0 0 "[ . 1 . 2]" 1
2381 1 89 MET H 1 90 VAL MG1 . . 5.500 4.344 3.059 5.540 0.040 9 0 "[ . 1 . 2]" 1
2382 1 89 MET H 1 90 VAL MG2 . . 5.500 4.829 3.149 5.469 . 0 0 "[ . 1 . 2]" 1
2383 1 89 MET HA 1 90 VAL H . . 3.100 2.955 2.806 3.186 0.086 13 0 "[ . 1 . 2]" 1
2384 1 89 MET HB2 1 90 VAL H . . 4.630 4.371 4.248 4.420 . 0 0 "[ . 1 . 2]" 1
2385 1 89 MET HB3 1 90 VAL H . . 4.630 4.714 4.649 4.742 0.112 20 0 "[ . 1 . 2]" 1
2386 1 89 MET ME 1 89 MET QG . . 3.240 1.968 1.935 2.024 . 0 0 "[ . 1 . 2]" 1
2387 1 89 MET QG 1 90 VAL H . . 4.900 4.213 3.741 4.440 . 0 0 "[ . 1 . 2]" 1
2388 1 90 VAL H 1 90 VAL HB . . 3.590 2.723 2.107 3.495 . 0 0 "[ . 1 . 2]" 1
2389 1 90 VAL H 1 90 VAL MG1 . . 4.310 2.442 1.835 3.712 . 0 0 "[ . 1 . 2]" 1
2390 1 90 VAL H 1 90 VAL QG . . 3.610 2.116 1.798 2.590 . 0 0 "[ . 1 . 2]" 1
2391 1 90 VAL H 1 90 VAL MG2 . . 4.310 2.981 1.877 3.702 . 0 0 "[ . 1 . 2]" 1
2392 1 90 VAL HA 1 90 VAL MG1 . . 3.720 2.782 2.000 3.220 . 0 0 "[ . 1 . 2]" 1
2393 1 90 VAL HA 1 90 VAL MG2 . . 3.720 2.589 2.113 3.205 . 0 0 "[ . 1 . 2]" 1
2394 1 90 VAL HB 1 91 SER H . . 4.600 3.941 2.944 4.365 . 0 0 "[ . 1 . 2]" 1
2395 1 90 VAL QG 1 91 SER H . . 4.200 2.620 2.178 3.560 . 0 0 "[ . 1 . 2]" 1
2396 1 90 VAL MG1 1 91 SER H . . 5.180 3.417 2.207 4.301 . 0 0 "[ . 1 . 2]" 1
2397 1 90 VAL MG2 1 91 SER H . . 5.180 3.313 2.191 4.236 . 0 0 "[ . 1 . 2]" 1
2398 1 91 SER H 1 91 SER HB2 . . 4.020 3.166 2.381 3.988 . 0 0 "[ . 1 . 2]" 1
2399 1 91 SER H 1 91 SER QB . . 3.350 2.830 2.349 3.494 0.144 7 0 "[ . 1 . 2]" 1
2400 1 91 SER H 1 91 SER HB3 . . 4.020 3.439 2.505 4.083 0.063 7 0 "[ . 1 . 2]" 1
2401 1 91 SER H 1 92 VAL H . . 5.080 3.206 2.241 4.121 . 0 0 "[ . 1 . 2]" 1
2402 1 92 VAL H 1 92 VAL MG1 . . 3.990 1.854 1.808 1.915 . 0 0 "[ . 1 . 2]" 1
2403 1 92 VAL H 1 92 VAL QG . . 3.420 1.849 1.803 1.909 . 0 0 "[ . 1 . 2]" 1
2404 1 92 VAL H 1 92 VAL MG2 . . 3.990 3.620 3.549 3.685 . 0 0 "[ . 1 . 2]" 1
2405 1 92 VAL H 1 93 SER H . . 5.440 4.052 3.400 4.385 . 0 0 "[ . 1 . 2]" 1
2406 1 92 VAL HA 1 92 VAL MG1 . . 3.290 3.144 3.134 3.157 . 0 0 "[ . 1 . 2]" 1
2407 1 92 VAL HA 1 92 VAL QG . . 2.830 2.487 2.447 2.501 . 0 0 "[ . 1 . 2]" 1
2408 1 92 VAL HA 1 92 VAL MG2 . . 3.290 2.607 2.549 2.625 . 0 0 "[ . 1 . 2]" 1
2409 1 92 VAL HA 1 94 THR H . . 4.070 3.238 3.129 3.628 . 0 0 "[ . 1 . 2]" 1
2410 1 92 VAL HB 1 93 SER H . . 5.400 4.330 3.625 4.471 . 0 0 "[ . 1 . 2]" 1
2411 1 92 VAL HB 1 94 THR H . . 4.930 4.702 4.185 4.855 . 0 0 "[ . 1 . 2]" 1
2412 1 92 VAL QG 1 93 SER H . . 4.120 3.182 1.689 3.442 . 0 0 "[ . 1 . 2]" 1
2413 1 92 VAL QG 1 93 SER HA . . 3.830 3.385 2.828 3.476 . 0 0 "[ . 1 . 2]" 1
2414 1 92 VAL QG 1 94 THR H . . 3.180 2.812 1.763 3.060 . 0 0 "[ . 1 . 2]" 1
2415 1 92 VAL MG1 1 93 SER HA . . 4.600 4.531 3.663 4.657 0.057 7 0 "[ . 1 . 2]" 1
2416 1 92 VAL MG2 1 93 SER HA . . 4.600 3.495 2.943 3.600 . 0 0 "[ . 1 . 2]" 1
2417 1 93 SER H 1 93 SER HB2 . . 3.720 2.963 2.399 3.719 . 0 0 "[ . 1 . 2]" 1
2418 1 93 SER H 1 93 SER HB3 . . 3.720 3.262 2.588 3.736 0.016 10 0 "[ . 1 . 2]" 1
2419 1 93 SER H 1 94 THR H . . 3.600 2.208 1.916 2.937 . 0 0 "[ . 1 . 2]" 1
2420 1 93 SER HA 1 94 THR H . . 3.530 3.116 2.962 3.215 . 0 0 "[ . 1 . 2]" 1
2421 1 93 SER QB 1 94 THR H . . 3.980 3.760 3.615 3.900 . 0 0 "[ . 1 . 2]" 1
2422 1 94 THR H 1 94 THR HB . . 3.070 2.637 2.519 2.936 . 0 0 "[ . 1 . 2]" 1
2423 1 94 THR H 1 94 THR MG . . 4.060 3.847 3.757 3.989 . 0 0 "[ . 1 . 2]" 1
2424 1 94 THR H 1 95 PRO HD2 . . 5.500 4.998 4.941 5.016 . 0 0 "[ . 1 . 2]" 1
2425 1 94 THR H 1 95 PRO HD3 . . 4.660 4.580 4.369 4.647 . 0 0 "[ . 1 . 2]" 1
2426 1 94 THR H 1 99 VAL MG2 . . 3.780 3.641 3.388 4.001 0.221 18 0 "[ . 1 . 2]" 1
2427 1 94 THR HA 1 94 THR MG . . 3.190 2.475 2.328 2.593 . 0 0 "[ . 1 . 2]" 1
2428 1 94 THR HA 1 95 PRO HD2 . . 3.410 2.505 2.316 2.552 . 0 0 "[ . 1 . 2]" 1
2429 1 94 THR HA 1 95 PRO HD3 . . 3.310 1.906 1.892 1.917 . 0 0 "[ . 1 . 2]" 1
2430 1 94 THR HA 1 95 PRO HG2 . . 4.540 4.487 4.370 4.519 . 0 0 "[ . 1 . 2]" 1
2431 1 94 THR HA 1 95 PRO HG3 . . 4.310 4.175 4.156 4.186 . 0 0 "[ . 1 . 2]" 1
2432 1 94 THR HA 1 98 GLU QB . . 4.930 4.163 3.686 4.320 . 0 0 "[ . 1 . 2]" 1
2433 1 94 THR HA 1 99 VAL H . . 5.400 5.254 4.871 5.422 0.022 10 0 "[ . 1 . 2]" 1
2434 1 94 THR HB 1 98 GLU QB . . 4.830 4.382 4.241 4.748 . 0 0 "[ . 1 . 2]" 1
2435 1 94 THR HB 1 99 VAL HB . . 4.630 4.626 4.468 4.667 0.037 18 0 "[ . 1 . 2]" 1
2436 1 94 THR HB 1 99 VAL MG1 . . 4.180 4.477 4.196 4.678 0.498 3 0 "[ . 1 . 2]" 1
2437 1 94 THR HB 1 99 VAL MG2 . . 2.960 2.084 1.962 2.157 . 0 0 "[ . 1 . 2]" 1
2438 1 94 THR MG 1 95 PRO HD2 . . 2.890 1.825 1.774 2.247 . 0 0 "[ . 1 . 2]" 1
2439 1 94 THR MG 1 95 PRO HD3 . . 3.590 2.894 2.785 3.251 . 0 0 "[ . 1 . 2]" 1
2440 1 94 THR MG 1 95 PRO HG2 . . 4.640 3.527 3.443 3.989 . 0 0 "[ . 1 . 2]" 1
2441 1 94 THR MG 1 95 PRO HG3 . . 4.670 4.198 4.141 4.643 . 0 0 "[ . 1 . 2]" 1
2442 1 94 THR MG 1 98 GLU H . . 3.820 3.336 3.201 3.658 . 0 0 "[ . 1 . 2]" 1
2443 1 94 THR MG 1 98 GLU HA . . 4.650 4.228 4.064 4.601 . 0 0 "[ . 1 . 2]" 1
2444 1 94 THR MG 1 98 GLU HB2 . . 3.370 1.932 1.846 2.266 . 0 0 "[ . 1 . 2]" 1
2445 1 94 THR MG 1 98 GLU QB . . 2.810 1.889 1.808 2.217 . 0 0 "[ . 1 . 2]" 1
2446 1 94 THR MG 1 98 GLU HB3 . . 3.370 2.688 2.353 3.137 . 0 0 "[ . 1 . 2]" 1
2447 1 94 THR MG 1 98 GLU QG . . 3.600 3.307 3.012 3.545 . 0 0 "[ . 1 . 2]" 1
2448 1 94 THR MG 1 99 VAL H . . 3.500 2.278 2.072 2.569 . 0 0 "[ . 1 . 2]" 1
2449 1 94 THR MG 1 99 VAL HA . . 4.560 2.900 2.563 3.325 . 0 0 "[ . 1 . 2]" 1
2450 1 94 THR MG 1 99 VAL HB . . 4.410 3.587 3.278 3.969 . 0 0 "[ . 1 . 2]" 1
2451 1 94 THR MG 1 99 VAL MG2 . . 3.010 1.876 1.752 2.082 . 0 0 "[ . 1 . 2]" 1
2452 1 94 THR MG 1 100 TYR H . . 5.190 4.671 4.441 4.953 . 0 0 "[ . 1 . 2]" 1
2453 1 95 PRO HA 1 96 ILE H . . 3.200 2.212 2.190 2.249 . 0 0 "[ . 1 . 2]" 1
2454 1 95 PRO HA 1 96 ILE MG . . 5.000 4.092 3.914 4.466 . 0 0 "[ . 1 . 2]" 1
2455 1 95 PRO HA 1 97 SER H . . 4.280 3.671 3.580 3.780 . 0 0 "[ . 1 . 2]" 1
2456 1 95 PRO HA 1 99 VAL MG2 . . 4.600 4.211 3.881 4.455 . 0 0 "[ . 1 . 2]" 1
2457 1 95 PRO QB 1 96 ILE H . . 3.610 3.152 3.039 3.227 . 0 0 "[ . 1 . 2]" 1
2458 1 95 PRO QB 1 96 ILE MG . . 5.220 3.702 3.595 3.893 . 0 0 "[ . 1 . 2]" 1
2459 1 95 PRO QB 1 97 SER H . . 3.360 2.309 2.192 2.464 . 0 0 "[ . 1 . 2]" 1
2460 1 95 PRO QB 1 98 GLU H . . 3.900 2.980 2.817 3.109 . 0 0 "[ . 1 . 2]" 1
2461 1 95 PRO HB2 1 96 ILE H . . 4.200 3.375 3.234 3.469 . 0 0 "[ . 1 . 2]" 1
2462 1 95 PRO HB2 1 97 SER H . . 4.110 2.327 2.206 2.488 . 0 0 "[ . 1 . 2]" 1
2463 1 95 PRO HB3 1 96 ILE H . . 4.200 3.780 3.692 3.842 . 0 0 "[ . 1 . 2]" 1
2464 1 95 PRO HB3 1 97 SER H . . 4.110 3.856 3.780 3.982 . 0 0 "[ . 1 . 2]" 1
2465 1 95 PRO HD2 1 98 GLU H . . 4.230 3.513 3.293 3.661 . 0 0 "[ . 1 . 2]" 1
2466 1 95 PRO HD2 1 98 GLU QB . . 3.530 2.096 2.001 2.284 . 0 0 "[ . 1 . 2]" 1
2467 1 95 PRO HD2 1 98 GLU HG2 . . 4.430 3.923 3.047 4.457 0.027 3 0 "[ . 1 . 2]" 1
2468 1 95 PRO HD2 1 98 GLU HG3 . . 4.430 2.839 2.109 3.282 . 0 0 "[ . 1 . 2]" 1
2469 1 95 PRO HG2 1 98 GLU H . . 3.070 2.804 2.682 2.895 . 0 0 "[ . 1 . 2]" 1
2470 1 95 PRO HG3 1 96 ILE H . . 5.500 5.594 5.522 5.640 0.140 18 0 "[ . 1 . 2]" 1
2471 1 95 PRO HG3 1 98 GLU H . . 4.700 4.438 4.324 4.530 . 0 0 "[ . 1 . 2]" 1
2472 1 96 ILE H 1 96 ILE HB . . 3.410 2.256 2.077 2.325 . 0 0 "[ . 1 . 2]" 1
2473 1 96 ILE H 1 96 ILE MD . . 4.130 3.912 3.606 3.983 . 0 0 "[ . 1 . 2]" 1
2474 1 96 ILE H 1 96 ILE HG12 . . 4.770 4.595 4.580 4.611 . 0 0 "[ . 1 . 2]" 1
2475 1 96 ILE H 1 96 ILE HG13 . . 4.440 4.289 4.134 4.337 . 0 0 "[ . 1 . 2]" 1
2476 1 96 ILE H 1 96 ILE MG . . 3.270 2.379 2.222 2.780 . 0 0 "[ . 1 . 2]" 1
2477 1 96 ILE H 1 97 SER H . . 4.010 2.770 2.703 2.848 . 0 0 "[ . 1 . 2]" 1
2478 1 96 ILE H 1 98 GLU H . . 4.860 4.427 4.311 4.506 . 0 0 "[ . 1 . 2]" 1
2479 1 96 ILE H 1 99 VAL HB . . 4.500 4.451 4.252 4.515 0.015 9 0 "[ . 1 . 2]" 1
2480 1 96 ILE HA 1 96 ILE MD . . 3.480 2.971 2.744 3.190 . 0 0 "[ . 1 . 2]" 1
2481 1 96 ILE HA 1 96 ILE HG12 . . 3.720 3.539 3.395 3.621 . 0 0 "[ . 1 . 2]" 1
2482 1 96 ILE HA 1 96 ILE HG13 . . 3.350 2.265 2.068 2.373 . 0 0 "[ . 1 . 2]" 1
2483 1 96 ILE HA 1 96 ILE MG . . 3.510 3.201 3.165 3.215 . 0 0 "[ . 1 . 2]" 1
2484 1 96 ILE HA 1 99 VAL H . . 3.750 3.418 3.297 3.518 . 0 0 "[ . 1 . 2]" 1
2485 1 96 ILE HA 1 99 VAL HB . . 3.200 2.141 1.993 2.248 . 0 0 "[ . 1 . 2]" 1
2486 1 96 ILE HA 1 99 VAL MG1 . . 3.640 3.316 3.106 3.481 . 0 0 "[ . 1 . 2]" 1
2487 1 96 ILE HA 1 99 VAL MG2 . . 3.410 3.340 3.104 3.511 0.101 1 0 "[ . 1 . 2]" 1
2488 1 96 ILE HA 1 100 TYR H . . 3.830 3.727 3.557 3.837 0.007 6 0 "[ . 1 . 2]" 1
2489 1 96 ILE HA 1 112 MET ME . . 5.500 5.213 5.019 5.333 . 0 0 "[ . 1 . 2]" 1
2490 1 96 ILE HB 1 96 ILE MD . . 3.200 2.041 1.949 2.132 . 0 0 "[ . 1 . 2]" 1
2491 1 96 ILE HB 1 97 SER H . . 4.410 4.073 3.864 4.162 . 0 0 "[ . 1 . 2]" 1
2492 1 96 ILE HB 1 99 VAL HB . . 4.700 4.560 4.451 4.660 . 0 0 "[ . 1 . 2]" 1
2493 1 96 ILE MD 1 96 ILE MG . . 3.150 2.810 2.623 2.958 . 0 0 "[ . 1 . 2]" 1
2494 1 96 ILE MD 1 99 VAL HB . . 4.490 4.107 3.909 4.253 . 0 0 "[ . 1 . 2]" 1
2495 1 96 ILE MD 1 99 VAL MG2 . . 4.540 4.534 4.416 4.586 0.046 17 0 "[ . 1 . 2]" 1
2496 1 96 ILE MD 1 112 MET ME . . 3.240 2.816 2.551 3.052 . 0 0 "[ . 1 . 2]" 1
2497 1 96 ILE HG12 1 96 ILE MG . . 3.260 2.061 1.939 2.174 . 0 0 "[ . 1 . 2]" 1
2498 1 96 ILE HG12 1 97 SER H . . 5.180 4.914 4.698 5.106 . 0 0 "[ . 1 . 2]" 1
2499 1 96 ILE HG13 1 96 ILE MG . . 3.340 2.986 2.878 3.071 . 0 0 "[ . 1 . 2]" 1
2500 1 96 ILE HG13 1 97 SER H . . 4.990 4.671 4.553 4.874 . 0 0 "[ . 1 . 2]" 1
2501 1 96 ILE MG 1 97 SER H . . 3.360 2.336 2.104 2.552 . 0 0 "[ . 1 . 2]" 1
2502 1 96 ILE MG 1 97 SER HA . . 3.740 3.238 2.935 3.439 . 0 0 "[ . 1 . 2]" 1
2503 1 96 ILE MG 1 98 GLU H . . 5.070 4.521 4.455 4.614 . 0 0 "[ . 1 . 2]" 1
2504 1 96 ILE MG 1 99 VAL HB . . 4.910 4.885 4.735 4.989 0.079 15 0 "[ . 1 . 2]" 1
2505 1 97 SER H 1 97 SER QB . . 2.990 2.378 2.061 2.646 . 0 0 "[ . 1 . 2]" 1
2506 1 97 SER H 1 98 GLU H . . 3.480 2.622 2.490 2.762 . 0 0 "[ . 1 . 2]" 1
2507 1 97 SER H 1 99 VAL H . . 4.580 4.189 4.039 4.340 . 0 0 "[ . 1 . 2]" 1
2508 1 97 SER H 1 100 TYR H . . 5.080 4.707 4.610 4.783 . 0 0 "[ . 1 . 2]" 1
2509 1 97 SER HA 1 97 SER QB . . 2.490 2.202 2.178 2.292 . 0 0 "[ . 1 . 2]" 1
2510 1 97 SER QB 1 98 GLU H . . 3.590 3.295 2.641 3.510 . 0 0 "[ . 1 . 2]" 1
2511 1 98 GLU H 1 98 GLU QB . . 2.840 2.316 2.191 2.460 . 0 0 "[ . 1 . 2]" 1
2512 1 98 GLU H 1 98 GLU HG2 . . 3.590 2.962 2.102 3.623 0.033 6 0 "[ . 1 . 2]" 1
2513 1 98 GLU H 1 98 GLU HG3 . . 3.590 3.061 2.378 3.583 . 0 0 "[ . 1 . 2]" 1
2514 1 98 GLU H 1 99 VAL H . . 2.630 2.467 2.341 2.567 . 0 0 "[ . 1 . 2]" 1
2515 1 98 GLU H 1 99 VAL HB . . 4.620 4.250 4.091 4.404 . 0 0 "[ . 1 . 2]" 1
2516 1 98 GLU H 1 99 VAL MG2 . . 4.080 4.149 3.766 4.319 0.239 1 0 "[ . 1 . 2]" 1
2517 1 98 GLU H 1 100 TYR H . . 4.320 3.732 3.610 3.818 . 0 0 "[ . 1 . 2]" 1
2518 1 98 GLU H 1 101 GLU QG . . 5.500 4.469 4.089 4.780 . 0 0 "[ . 1 . 2]" 1
2519 1 98 GLU HA 1 98 GLU QB . . 2.600 2.419 2.355 2.473 . 0 0 "[ . 1 . 2]" 1
2520 1 98 GLU HA 1 98 GLU QG . . 3.450 2.466 2.114 2.763 . 0 0 "[ . 1 . 2]" 1
2521 1 98 GLU HA 1 100 TYR H . . 4.650 3.828 3.666 4.015 . 0 0 "[ . 1 . 2]" 1
2522 1 98 GLU HA 1 101 GLU H . . 3.680 2.929 2.810 3.127 . 0 0 "[ . 1 . 2]" 1
2523 1 98 GLU HA 1 101 GLU QG . . 3.850 1.962 1.831 2.185 . 0 0 "[ . 1 . 2]" 1
2524 1 98 GLU HA 1 102 SER H . . 4.380 4.197 4.055 4.367 . 0 0 "[ . 1 . 2]" 1
2525 1 98 GLU QB 1 99 VAL H . . 2.980 2.416 2.357 2.536 . 0 0 "[ . 1 . 2]" 1
2526 1 98 GLU QB 1 99 VAL MG2 . . 4.630 3.418 3.263 3.562 . 0 0 "[ . 1 . 2]" 1
2527 1 98 GLU HB2 1 99 VAL H . . 3.840 2.467 2.393 2.621 . 0 0 "[ . 1 . 2]" 1
2528 1 98 GLU HB3 1 99 VAL H . . 3.840 3.477 3.281 3.698 . 0 0 "[ . 1 . 2]" 1
2529 1 98 GLU QG 1 99 VAL H . . 4.060 4.026 3.815 4.217 0.157 17 0 "[ . 1 . 2]" 1
2530 1 98 GLU HG2 1 99 VAL H . . 4.920 4.574 4.094 4.948 0.028 2 0 "[ . 1 . 2]" 1
2531 1 98 GLU HG3 1 99 VAL H . . 4.920 4.545 4.193 4.807 . 0 0 "[ . 1 . 2]" 1
2532 1 99 VAL H 1 99 VAL HB . . 2.850 2.292 2.214 2.411 . 0 0 "[ . 1 . 2]" 1
2533 1 99 VAL H 1 99 VAL MG1 . . 3.730 3.677 3.646 3.705 . 0 0 "[ . 1 . 2]" 1
2534 1 99 VAL H 1 99 VAL MG2 . . 2.820 2.271 2.009 2.458 . 0 0 "[ . 1 . 2]" 1
2535 1 99 VAL H 1 100 TYR H . . 3.070 2.846 2.739 2.896 . 0 0 "[ . 1 . 2]" 1
2536 1 99 VAL H 1 100 TYR HB3 . . 5.210 4.644 4.539 4.733 . 0 0 "[ . 1 . 2]" 1
2537 1 99 VAL HA 1 99 VAL MG1 . . 2.930 2.543 2.444 2.598 . 0 0 "[ . 1 . 2]" 1
2538 1 99 VAL HA 1 99 VAL MG2 . . 2.940 2.187 2.095 2.319 . 0 0 "[ . 1 . 2]" 1
2539 1 99 VAL HA 1 102 SER H . . 3.830 3.588 3.378 3.677 . 0 0 "[ . 1 . 2]" 1
2540 1 99 VAL HA 1 103 GLU H . . 4.910 4.736 4.468 4.924 0.014 2 0 "[ . 1 . 2]" 1
2541 1 99 VAL HA 1 103 GLU QG . . 4.270 3.321 2.868 3.753 . 0 0 "[ . 1 . 2]" 1
2542 1 99 VAL HB 1 100 TYR H . . 3.250 2.988 2.799 3.152 . 0 0 "[ . 1 . 2]" 1
2543 1 99 VAL HB 1 100 TYR HA . . 4.720 4.667 4.526 4.748 0.028 17 0 "[ . 1 . 2]" 1
2544 1 99 VAL MG1 1 100 TYR H . . 3.560 3.451 3.365 3.578 0.018 19 0 "[ . 1 . 2]" 1
2545 1 99 VAL MG1 1 100 TYR HA . . 3.720 3.455 3.350 3.511 . 0 0 "[ . 1 . 2]" 1
2546 1 99 VAL MG1 1 101 GLU H . . 5.400 5.169 5.022 5.396 . 0 0 "[ . 1 . 2]" 1
2547 1 99 VAL MG1 1 102 SER H . . 4.560 4.532 4.465 4.598 0.038 19 0 "[ . 1 . 2]" 1
2548 1 99 VAL MG1 1 102 SER HB2 . . 4.430 4.429 4.231 5.095 0.665 15 1 "[ . 1 + 2]" 1
2549 1 99 VAL MG1 1 102 SER HB3 . . 5.080 5.174 4.480 5.329 0.249 9 0 "[ . 1 . 2]" 1
2550 1 99 VAL MG1 1 103 GLU HB2 . . 4.030 3.432 3.148 3.687 . 0 0 "[ . 1 . 2]" 1
2551 1 99 VAL MG1 1 103 GLU HB3 . . 4.550 4.364 4.024 4.622 0.072 13 0 "[ . 1 . 2]" 1
2552 1 99 VAL MG1 1 103 GLU HG2 . . 4.040 3.385 2.870 3.968 . 0 0 "[ . 1 . 2]" 1
2553 1 99 VAL MG1 1 103 GLU QG . . 3.280 2.358 1.933 2.951 . 0 0 "[ . 1 . 2]" 1
2554 1 99 VAL MG1 1 103 GLU HG3 . . 4.040 2.413 1.965 3.044 . 0 0 "[ . 1 . 2]" 1
2555 1 99 VAL MG1 1 112 MET ME . . 3.750 3.514 3.365 3.555 . 0 0 "[ . 1 . 2]" 1
2556 1 99 VAL MG2 1 100 TYR H . . 4.240 4.160 4.017 4.242 0.002 17 0 "[ . 1 . 2]" 1
2557 1 100 TYR H 1 100 TYR HB2 . . 3.230 2.776 2.662 2.836 . 0 0 "[ . 1 . 2]" 1
2558 1 100 TYR H 1 100 TYR HB3 . . 3.240 2.024 1.989 2.107 . 0 0 "[ . 1 . 2]" 1
2559 1 100 TYR H 1 100 TYR QD . . 4.270 3.841 3.776 3.975 . 0 0 "[ . 1 . 2]" 1
2560 1 100 TYR H 1 101 GLU H . . 3.140 2.499 2.389 2.682 . 0 0 "[ . 1 . 2]" 1
2561 1 100 TYR H 1 101 GLU HA . . 5.500 5.059 4.972 5.177 . 0 0 "[ . 1 . 2]" 1
2562 1 100 TYR H 1 101 GLU QG . . 4.570 4.158 3.669 4.508 . 0 0 "[ . 1 . 2]" 1
2563 1 100 TYR H 1 102 SER H . . 4.560 3.580 3.447 3.712 . 0 0 "[ . 1 . 2]" 1
2564 1 100 TYR H 1 110 LEU QD . . 3.730 3.641 3.330 3.849 0.119 6 0 "[ . 1 . 2]" 1
2565 1 100 TYR HA 1 100 TYR QD . . 3.510 3.213 2.924 3.369 . 0 0 "[ . 1 . 2]" 1
2566 1 100 TYR HA 1 100 TYR QE . . 5.180 5.055 4.918 5.121 . 0 0 "[ . 1 . 2]" 1
2567 1 100 TYR HA 1 102 SER H . . 4.460 3.660 3.584 3.789 . 0 0 "[ . 1 . 2]" 1
2568 1 100 TYR HA 1 103 GLU H . . 3.590 3.417 3.180 3.618 0.028 6 0 "[ . 1 . 2]" 1
2569 1 100 TYR HA 1 104 ARG H . . 3.690 2.812 2.581 3.130 . 0 0 "[ . 1 . 2]" 1
2570 1 100 TYR HA 1 104 ARG HG2 . . 4.570 4.570 3.995 4.884 0.314 10 0 "[ . 1 . 2]" 1
2571 1 100 TYR HA 1 110 LEU QB . . 4.380 4.222 3.949 4.423 0.043 3 0 "[ . 1 . 2]" 1
2572 1 100 TYR HA 1 110 LEU QD . . 3.540 1.868 1.783 2.013 . 0 0 "[ . 1 . 2]" 1
2573 1 100 TYR HA 1 110 LEU HG . . 4.130 2.532 2.128 2.787 . 0 0 "[ . 1 . 2]" 1
2574 1 100 TYR HA 1 112 MET ME . . 4.650 4.720 4.349 4.922 0.272 3 0 "[ . 1 . 2]" 1
2575 1 100 TYR HB2 1 101 GLU H . . 4.080 3.958 3.755 4.113 0.033 9 0 "[ . 1 . 2]" 1
2576 1 100 TYR HB2 1 102 SER H . . 5.470 5.256 5.135 5.357 . 0 0 "[ . 1 . 2]" 1
2577 1 100 TYR HB2 1 110 LEU QD . . 3.960 2.438 1.887 3.011 . 0 0 "[ . 1 . 2]" 1
2578 1 100 TYR HB3 1 101 GLU H . . 3.380 2.549 2.238 2.786 . 0 0 "[ . 1 . 2]" 1
2579 1 100 TYR HB3 1 102 SER H . . 4.940 4.521 4.283 4.708 . 0 0 "[ . 1 . 2]" 1
2580 1 100 TYR HB3 1 110 LEU QD . . 4.490 3.542 3.350 3.793 . 0 0 "[ . 1 . 2]" 1
2581 1 100 TYR QD 1 101 GLU H . . 3.950 2.506 2.108 2.778 . 0 0 "[ . 1 . 2]" 1
2582 1 100 TYR QD 1 101 GLU QG . . 4.530 3.952 2.968 4.493 . 0 0 "[ . 1 . 2]" 1
2583 1 100 TYR QD 1 104 ARG H . . 4.690 4.364 4.202 4.559 . 0 0 "[ . 1 . 2]" 1
2584 1 100 TYR QD 1 110 LEU H . . 4.480 3.669 3.328 4.092 . 0 0 "[ . 1 . 2]" 1
2585 1 100 TYR QD 1 110 LEU HB2 . . 4.660 2.705 2.317 3.138 . 0 0 "[ . 1 . 2]" 1
2586 1 100 TYR QD 1 110 LEU QB . . 3.850 2.671 2.299 3.083 . 0 0 "[ . 1 . 2]" 1
2587 1 100 TYR QD 1 110 LEU HB3 . . 4.660 4.147 3.768 4.510 . 0 0 "[ . 1 . 2]" 1
2588 1 100 TYR QD 1 110 LEU QD . . 3.460 2.302 1.944 2.694 . 0 0 "[ . 1 . 2]" 1
2589 1 100 TYR QD 1 110 LEU HG . . 3.770 2.159 1.994 2.479 . 0 0 "[ . 1 . 2]" 1
2590 1 100 TYR QE 1 104 ARG H . . 5.500 5.304 5.119 5.526 0.026 6 0 "[ . 1 . 2]" 1
2591 1 100 TYR QE 1 104 ARG QD . . 4.300 3.910 3.183 4.252 . 0 0 "[ . 1 . 2]" 1
2592 1 100 TYR QE 1 110 LEU H . . 4.830 3.351 2.677 3.740 . 0 0 "[ . 1 . 2]" 1
2593 1 100 TYR QE 1 110 LEU HG . . 4.770 4.161 3.664 4.512 . 0 0 "[ . 1 . 2]" 1
2594 1 101 GLU H 1 101 GLU QB . . 2.760 2.379 2.219 2.732 . 0 0 "[ . 1 . 2]" 1
2595 1 101 GLU H 1 101 GLU QG . . 3.320 2.401 1.935 2.666 . 0 0 "[ . 1 . 2]" 1
2596 1 101 GLU H 1 103 GLU H . . 4.690 4.041 3.987 4.110 . 0 0 "[ . 1 . 2]" 1
2597 1 101 GLU H 1 104 ARG HG2 . . 4.910 4.415 3.986 4.673 . 0 0 "[ . 1 . 2]" 1
2598 1 101 GLU H 1 104 ARG HG3 . . 5.150 4.821 4.557 4.918 . 0 0 "[ . 1 . 2]" 1
2599 1 101 GLU H 1 110 LEU QD . . 5.300 4.385 4.070 4.683 . 0 0 "[ . 1 . 2]" 1
2600 1 101 GLU HA 1 101 GLU QG . . 3.390 3.300 3.249 3.409 0.019 14 0 "[ . 1 . 2]" 1
2601 1 101 GLU HA 1 103 GLU H . . 4.030 3.704 3.604 3.897 . 0 0 "[ . 1 . 2]" 1
2602 1 101 GLU HA 1 104 ARG H . . 4.410 4.078 3.780 4.264 . 0 0 "[ . 1 . 2]" 1
2603 1 101 GLU QG 1 102 SER H . . 3.850 2.879 2.713 3.064 . 0 0 "[ . 1 . 2]" 1
2604 1 101 GLU QG 1 102 SER HA . . 5.040 3.630 3.401 3.999 . 0 0 "[ . 1 . 2]" 1
2605 1 102 SER H 1 102 SER HB2 . . 2.980 2.339 2.261 2.542 . 0 0 "[ . 1 . 2]" 1
2606 1 102 SER H 1 102 SER HB3 . . 3.800 3.531 3.018 3.581 . 0 0 "[ . 1 . 2]" 1
2607 1 102 SER H 1 103 GLU H . . 2.840 2.086 1.962 2.171 . 0 0 "[ . 1 . 2]" 1
2608 1 102 SER H 1 103 GLU HA . . 4.740 4.636 4.583 4.732 . 0 0 "[ . 1 . 2]" 1
2609 1 102 SER H 1 103 GLU HB2 . . 4.460 4.014 3.875 4.176 . 0 0 "[ . 1 . 2]" 1
2610 1 102 SER H 1 104 ARG HG2 . . 4.980 4.881 4.703 5.050 0.070 17 0 "[ . 1 . 2]" 1
2611 1 102 SER H 1 110 LEU QD . . 4.620 4.265 3.970 4.488 . 0 0 "[ . 1 . 2]" 1
2612 1 102 SER HA 1 104 ARG H . . 5.500 5.252 5.009 5.469 . 0 0 "[ . 1 . 2]" 1
2613 1 102 SER HB2 1 103 GLU H . . 3.800 3.706 3.474 4.129 0.329 15 0 "[ . 1 . 2]" 1
2614 1 102 SER HB2 1 103 GLU QG . . 3.760 3.381 3.080 4.226 0.466 15 0 "[ . 1 . 2]" 1
2615 1 102 SER HB3 1 103 GLU H . . 4.240 4.156 3.810 4.252 0.012 10 0 "[ . 1 . 2]" 1
2616 1 102 SER HB3 1 103 GLU QG . . 3.840 3.260 2.875 3.366 . 0 0 "[ . 1 . 2]" 1
2617 1 103 GLU H 1 103 GLU HB2 . . 3.340 2.649 2.495 2.780 . 0 0 "[ . 1 . 2]" 1
2618 1 103 GLU H 1 103 GLU HB3 . . 3.870 3.785 3.673 3.861 . 0 0 "[ . 1 . 2]" 1
2619 1 103 GLU H 1 103 GLU QG . . 3.200 3.010 2.851 3.200 . 0 0 "[ . 1 . 2]" 1
2620 1 103 GLU H 1 104 ARG H . . 2.930 2.079 1.919 2.222 . 0 0 "[ . 1 . 2]" 1
2621 1 103 GLU H 1 104 ARG HA . . 4.710 4.531 4.420 4.644 . 0 0 "[ . 1 . 2]" 1
2622 1 103 GLU H 1 104 ARG HB3 . . 4.580 4.077 3.971 4.219 . 0 0 "[ . 1 . 2]" 1
2623 1 103 GLU H 1 104 ARG HG2 . . 4.400 4.307 4.073 4.527 0.127 3 0 "[ . 1 . 2]" 1
2624 1 103 GLU H 1 110 LEU QD . . 3.570 3.440 3.200 3.562 . 0 0 "[ . 1 . 2]" 1
2625 1 103 GLU HA 1 110 LEU QD . . 4.520 4.082 3.967 4.296 . 0 0 "[ . 1 . 2]" 1
2626 1 103 GLU HB2 1 104 ARG H . . 3.980 2.422 2.266 2.598 . 0 0 "[ . 1 . 2]" 1
2627 1 103 GLU HB2 1 110 LEU QD . . 3.330 2.020 1.911 2.248 . 0 0 "[ . 1 . 2]" 1
2628 1 103 GLU HB3 1 104 ARG H . . 3.930 3.453 3.180 3.636 . 0 0 "[ . 1 . 2]" 1
2629 1 103 GLU HB3 1 110 LEU QD . . 3.340 2.589 2.300 2.985 . 0 0 "[ . 1 . 2]" 1
2630 1 103 GLU HB3 1 111 TYR H . . 5.380 4.674 4.381 4.978 . 0 0 "[ . 1 . 2]" 1
2631 1 103 GLU QG 1 110 LEU QD . . 4.520 3.046 2.804 3.463 . 0 0 "[ . 1 . 2]" 1
2632 1 104 ARG H 1 104 ARG HB3 . . 3.170 2.312 2.225 2.429 . 0 0 "[ . 1 . 2]" 1
2633 1 104 ARG H 1 104 ARG HD2 . . 5.160 4.562 4.352 4.801 . 0 0 "[ . 1 . 2]" 1
2634 1 104 ARG H 1 104 ARG QD . . 4.440 4.198 4.052 4.358 . 0 0 "[ . 1 . 2]" 1
2635 1 104 ARG H 1 104 ARG HD3 . . 5.160 4.918 4.741 5.155 . 0 0 "[ . 1 . 2]" 1
2636 1 104 ARG H 1 104 ARG HG2 . . 4.070 3.476 3.293 3.624 . 0 0 "[ . 1 . 2]" 1
2637 1 104 ARG H 1 104 ARG HG3 . . 3.170 2.667 2.395 2.892 . 0 0 "[ . 1 . 2]" 1
2638 1 104 ARG H 1 105 ASP H . . 4.810 4.666 4.650 4.673 . 0 0 "[ . 1 . 2]" 1
2639 1 104 ARG H 1 110 LEU HA . . 4.580 4.323 3.898 4.487 . 0 0 "[ . 1 . 2]" 1
2640 1 104 ARG H 1 110 LEU QD . . 3.610 2.059 1.921 2.296 . 0 0 "[ . 1 . 2]" 1
2641 1 104 ARG HA 1 104 ARG HB2 . . 2.940 2.438 2.386 2.505 . 0 0 "[ . 1 . 2]" 1
2642 1 104 ARG HA 1 104 ARG HD2 . . 4.990 4.095 3.707 4.425 . 0 0 "[ . 1 . 2]" 1
2643 1 104 ARG HA 1 104 ARG QD . . 4.360 3.671 3.600 3.800 . 0 0 "[ . 1 . 2]" 1
2644 1 104 ARG HA 1 104 ARG HD3 . . 4.990 4.277 3.949 4.999 0.009 12 0 "[ . 1 . 2]" 1
2645 1 104 ARG HA 1 104 ARG HG3 . . 3.840 3.621 3.581 3.651 . 0 0 "[ . 1 . 2]" 1
2646 1 104 ARG HA 1 105 ASP H . . 3.030 2.405 2.352 2.448 . 0 0 "[ . 1 . 2]" 1
2647 1 104 ARG HA 1 110 LEU HA . . 3.670 2.900 2.543 3.087 . 0 0 "[ . 1 . 2]" 1
2648 1 104 ARG HA 1 110 LEU QD . . 3.610 2.167 1.921 2.386 . 0 0 "[ . 1 . 2]" 1
2649 1 104 ARG HA 1 111 TYR H . . 4.520 4.326 3.860 4.525 0.005 10 0 "[ . 1 . 2]" 1
2650 1 104 ARG HB2 1 104 ARG HD2 . . 3.920 2.882 2.132 3.222 . 0 0 "[ . 1 . 2]" 1
2651 1 104 ARG HB2 1 104 ARG QD . . 3.430 2.088 1.982 2.206 . 0 0 "[ . 1 . 2]" 1
2652 1 104 ARG HB2 1 104 ARG HD3 . . 3.920 2.261 2.002 2.820 . 0 0 "[ . 1 . 2]" 1
2653 1 104 ARG HB2 1 105 ASP H . . 3.490 2.745 2.619 2.870 . 0 0 "[ . 1 . 2]" 1
2654 1 104 ARG HB3 1 104 ARG HD2 . . 4.110 3.893 3.499 4.087 . 0 0 "[ . 1 . 2]" 1
2655 1 104 ARG HB3 1 104 ARG QD . . 3.580 3.246 3.170 3.287 . 0 0 "[ . 1 . 2]" 1
2656 1 104 ARG HB3 1 104 ARG HD3 . . 4.110 3.503 3.381 3.745 . 0 0 "[ . 1 . 2]" 1
2657 1 104 ARG HB3 1 105 ASP H . . 4.140 4.054 3.955 4.127 . 0 0 "[ . 1 . 2]" 1
2658 1 104 ARG HB3 1 108 GLY H . . 5.500 5.380 5.000 5.617 0.117 20 0 "[ . 1 . 2]" 1
2659 1 104 ARG QD 1 105 ASP H . . 4.270 3.017 2.792 3.358 . 0 0 "[ . 1 . 2]" 1
2660 1 104 ARG QD 1 105 ASP HA . . 4.170 3.150 2.926 3.813 . 0 0 "[ . 1 . 2]" 1
2661 1 104 ARG QD 1 108 GLY H . . 4.060 3.115 2.489 3.754 . 0 0 "[ . 1 . 2]" 1
2662 1 104 ARG QD 1 108 GLY QA . . 3.960 2.104 1.845 2.579 . 0 0 "[ . 1 . 2]" 1
2663 1 104 ARG HD2 1 105 ASP H . . 4.880 3.402 2.825 3.697 . 0 0 "[ . 1 . 2]" 1
2664 1 104 ARG HD2 1 108 GLY H . . 4.740 4.009 2.683 4.757 0.017 9 0 "[ . 1 . 2]" 1
2665 1 104 ARG HD3 1 105 ASP H . . 4.880 3.632 3.043 4.879 . 0 0 "[ . 1 . 2]" 1
2666 1 104 ARG HD3 1 108 GLY H . . 4.740 3.431 2.537 4.599 . 0 0 "[ . 1 . 2]" 1
2667 1 104 ARG HG3 1 105 ASP H . . 4.720 4.381 4.175 4.578 . 0 0 "[ . 1 . 2]" 1
2668 1 105 ASP H 1 105 ASP HB2 . . 3.550 2.366 2.064 3.583 0.033 15 0 "[ . 1 . 2]" 1
2669 1 105 ASP H 1 105 ASP QB . . 3.060 2.260 2.045 2.739 . 0 0 "[ . 1 . 2]" 1
2670 1 105 ASP H 1 105 ASP HB3 . . 3.550 3.178 2.811 3.476 . 0 0 "[ . 1 . 2]" 1
2671 1 105 ASP H 1 107 ASP H . . 4.740 4.320 3.775 4.603 . 0 0 "[ . 1 . 2]" 1
2672 1 105 ASP H 1 108 GLY H . . 4.490 2.965 2.605 3.527 . 0 0 "[ . 1 . 2]" 1
2673 1 105 ASP H 1 110 LEU HA . . 4.560 4.519 4.179 4.737 0.177 5 0 "[ . 1 . 2]" 1
2674 1 105 ASP H 1 110 LEU QD . . 4.670 4.083 3.752 4.480 . 0 0 "[ . 1 . 2]" 1
2675 1 105 ASP H 1 111 TYR QD . . 4.290 4.198 3.627 4.309 0.019 17 0 "[ . 1 . 2]" 1
2676 1 105 ASP H 1 111 TYR QE . . 3.810 3.409 2.915 3.777 . 0 0 "[ . 1 . 2]" 1
2677 1 105 ASP HA 1 106 GLU H . . 3.000 2.746 2.591 2.780 . 0 0 "[ . 1 . 2]" 1
2678 1 105 ASP HA 1 106 GLU HA . . 4.490 4.327 4.304 4.345 . 0 0 "[ . 1 . 2]" 1
2679 1 105 ASP HA 1 106 GLU QG . . 5.500 4.207 4.008 4.919 . 0 0 "[ . 1 . 2]" 1
2680 1 105 ASP HA 1 107 ASP H . . 4.910 4.594 4.168 4.930 0.020 9 0 "[ . 1 . 2]" 1
2681 1 105 ASP HA 1 108 GLY H . . 4.710 4.606 4.449 4.723 0.013 16 0 "[ . 1 . 2]" 1
2682 1 105 ASP QB 1 106 GLU H . . 4.070 2.260 1.891 2.725 . 0 0 "[ . 1 . 2]" 1
2683 1 105 ASP QB 1 107 ASP H . . 3.700 2.538 2.114 2.947 . 0 0 "[ . 1 . 2]" 1
2684 1 105 ASP QB 1 109 PHE H . . 5.340 4.189 3.736 4.623 . 0 0 "[ . 1 . 2]" 1
2685 1 105 ASP QB 1 111 TYR QD . . 4.180 3.928 3.590 4.361 0.181 12 0 "[ . 1 . 2]" 1
2686 1 105 ASP HB2 1 106 GLU H . . 4.680 3.606 1.899 3.911 . 0 0 "[ . 1 . 2]" 1
2687 1 105 ASP HB2 1 108 GLY H . . 4.480 4.135 3.621 4.727 0.247 1 0 "[ . 1 . 2]" 1
2688 1 105 ASP HB2 1 111 TYR QE . . 4.170 3.031 2.487 3.980 . 0 0 "[ . 1 . 2]" 1
2689 1 105 ASP HB3 1 106 GLU H . . 4.680 2.368 1.952 3.521 . 0 0 "[ . 1 . 2]" 1
2690 1 105 ASP HB3 1 108 GLY H . . 4.480 3.896 3.413 4.719 0.239 15 0 "[ . 1 . 2]" 1
2691 1 105 ASP HB3 1 111 TYR QE . . 4.170 3.882 2.593 4.182 0.012 9 0 "[ . 1 . 2]" 1
2692 1 106 GLU H 1 106 GLU QB . . 3.080 2.497 2.041 2.672 . 0 0 "[ . 1 . 2]" 1
2693 1 106 GLU H 1 106 GLU QG . . 3.640 2.072 1.891 2.959 . 0 0 "[ . 1 . 2]" 1
2694 1 106 GLU H 1 107 ASP H . . 3.740 2.942 2.776 3.154 . 0 0 "[ . 1 . 2]" 1
2695 1 106 GLU H 1 108 GLY H . . 4.710 4.484 4.333 4.711 0.001 12 0 "[ . 1 . 2]" 1
2696 1 106 GLU HA 1 106 GLU QB . . 2.780 2.394 2.320 2.549 . 0 0 "[ . 1 . 2]" 1
2697 1 106 GLU HA 1 106 GLU QG . . 3.390 2.518 2.138 3.174 . 0 0 "[ . 1 . 2]" 1
2698 1 106 GLU HA 1 108 GLY H . . 4.680 4.340 4.042 4.419 . 0 0 "[ . 1 . 2]" 1
2699 1 106 GLU QB 1 107 ASP H . . 3.800 2.606 2.263 3.026 . 0 0 "[ . 1 . 2]" 1
2700 1 106 GLU QB 1 107 ASP HA . . 4.330 3.809 3.719 3.941 . 0 0 "[ . 1 . 2]" 1
2701 1 106 GLU QB 1 108 GLY H . . 5.050 4.800 4.600 5.019 . 0 0 "[ . 1 . 2]" 1
2702 1 106 GLU QG 1 107 ASP H . . 4.800 4.035 3.698 4.466 . 0 0 "[ . 1 . 2]" 1
2703 1 107 ASP H 1 107 ASP QB . . 3.620 2.565 2.095 2.722 . 0 0 "[ . 1 . 2]" 1
2704 1 107 ASP H 1 108 GLY H . . 3.070 2.889 2.616 3.048 . 0 0 "[ . 1 . 2]" 1
2705 1 107 ASP H 1 108 GLY QA . . 5.340 4.595 4.402 4.692 . 0 0 "[ . 1 . 2]" 1
2706 1 107 ASP H 1 111 TYR QE . . 5.030 4.844 4.454 5.053 0.023 15 0 "[ . 1 . 2]" 1
2707 1 107 ASP QB 1 108 GLY H . . 4.230 3.092 2.603 3.317 . 0 0 "[ . 1 . 2]" 1
2708 1 107 ASP HB2 1 108 GLY H . . 4.820 3.318 3.028 4.007 . 0 0 "[ . 1 . 2]" 1
2709 1 107 ASP HB3 1 108 GLY H . . 4.820 3.862 2.638 4.025 . 0 0 "[ . 1 . 2]" 1
2710 1 108 GLY H 1 109 PHE H . . 3.210 2.131 1.980 2.252 . 0 0 "[ . 1 . 2]" 1
2711 1 108 GLY H 1 109 PHE HB2 . . 4.860 4.075 3.772 4.378 . 0 0 "[ . 1 . 2]" 1
2712 1 108 GLY H 1 109 PHE QD . . 5.500 5.658 5.156 5.954 0.454 3 0 "[ . 1 . 2]" 1
2713 1 108 GLY H 1 111 TYR QE . . 5.010 4.441 4.094 4.708 . 0 0 "[ . 1 . 2]" 1
2714 1 109 PHE HA 1 110 LEU H . . 3.470 2.225 2.206 2.300 . 0 0 "[ . 1 . 2]" 1
2715 1 109 PHE HB2 1 110 LEU H . . 4.690 4.502 4.371 4.549 . 0 0 "[ . 1 . 2]" 1
2716 1 109 PHE HB2 1 111 TYR QE . . 4.610 4.003 3.528 4.440 . 0 0 "[ . 1 . 2]" 1
2717 1 109 PHE HB3 1 110 LEU H . . 4.070 3.697 3.369 3.862 . 0 0 "[ . 1 . 2]" 1
2718 1 109 PHE HB3 1 111 TYR QE . . 4.590 3.244 2.797 3.534 . 0 0 "[ . 1 . 2]" 1
2719 1 109 PHE QD 1 110 LEU H . . 4.750 2.223 1.940 2.989 . 0 0 "[ . 1 . 2]" 1
2720 1 110 LEU H 1 110 LEU HB2 . . 3.950 2.002 1.987 2.118 . 0 0 "[ . 1 . 2]" 1
2721 1 110 LEU H 1 110 LEU QB . . 3.430 1.985 1.971 2.094 . 0 0 "[ . 1 . 2]" 1
2722 1 110 LEU H 1 110 LEU HB3 . . 3.950 3.281 3.227 3.319 . 0 0 "[ . 1 . 2]" 1
2723 1 110 LEU H 1 110 LEU QD . . 3.770 3.119 2.602 3.667 . 0 0 "[ . 1 . 2]" 1
2724 1 110 LEU H 1 110 LEU HG . . 4.560 3.804 3.458 4.263 . 0 0 "[ . 1 . 2]" 1
2725 1 110 LEU H 1 111 TYR H . . 4.840 4.609 4.535 4.633 . 0 0 "[ . 1 . 2]" 1
2726 1 110 LEU H 1 111 TYR QD . . 5.500 5.268 5.089 5.391 . 0 0 "[ . 1 . 2]" 1
2727 1 110 LEU H 1 111 TYR QE . . 5.500 5.475 5.297 5.555 0.055 10 0 "[ . 1 . 2]" 1
2728 1 110 LEU H 1 112 MET ME . . 5.090 4.703 4.559 4.810 . 0 0 "[ . 1 . 2]" 1
2729 1 110 LEU HA 1 110 LEU QD . . 3.230 1.920 1.872 1.980 . 0 0 "[ . 1 . 2]" 1
2730 1 110 LEU HA 1 111 TYR H . . 3.320 2.265 2.218 2.356 . 0 0 "[ . 1 . 2]" 1
2731 1 110 LEU HA 1 112 MET ME . . 5.080 4.393 4.235 4.591 . 0 0 "[ . 1 . 2]" 1
2732 1 110 LEU QB 1 111 TYR H . . 4.090 3.194 2.935 3.347 . 0 0 "[ . 1 . 2]" 1
2733 1 110 LEU QB 1 112 MET ME . . 3.400 1.981 1.923 2.150 . 0 0 "[ . 1 . 2]" 1
2734 1 110 LEU QB 1 112 MET QG . . 5.340 2.904 2.705 3.247 . 0 0 "[ . 1 . 2]" 1
2735 1 110 LEU QD 1 111 TYR H . . 3.600 2.395 1.915 2.756 . 0 0 "[ . 1 . 2]" 1
2736 1 110 LEU QD 1 111 TYR HB2 . . 4.640 4.194 3.872 4.461 . 0 0 "[ . 1 . 2]" 1
2737 1 110 LEU QD 1 112 MET ME . . 2.340 1.925 1.720 2.410 0.070 10 0 "[ . 1 . 2]" 1
2738 1 110 LEU QD 1 112 MET QG . . 4.340 2.816 2.583 3.133 . 0 0 "[ . 1 . 2]" 1
2739 1 111 TYR H 1 111 TYR HB2 . . 3.710 2.371 2.227 2.533 . 0 0 "[ . 1 . 2]" 1
2740 1 111 TYR H 1 111 TYR HB3 . . 3.750 3.637 3.550 3.733 . 0 0 "[ . 1 . 2]" 1
2741 1 111 TYR H 1 111 TYR QD . . 3.870 2.849 2.466 3.291 . 0 0 "[ . 1 . 2]" 1
2742 1 111 TYR H 1 112 MET ME . . 4.460 4.321 3.950 4.475 0.015 10 0 "[ . 1 . 2]" 1
2743 1 111 TYR HA 1 112 MET H . . 3.440 2.202 2.188 2.209 . 0 0 "[ . 1 . 2]" 1
2744 1 111 TYR HA 1 112 MET ME . . 5.230 4.789 4.403 5.068 . 0 0 "[ . 1 . 2]" 1
2745 1 111 TYR HB2 1 112 MET H . . 4.600 4.450 4.334 4.516 . 0 0 "[ . 1 . 2]" 1
2746 1 111 TYR HB3 1 112 MET H . . 3.860 3.818 3.568 3.880 0.020 15 0 "[ . 1 . 2]" 1
2747 1 111 TYR QD 1 112 MET H . . 4.680 4.531 4.387 4.682 0.002 15 0 "[ . 1 . 2]" 1
2748 1 111 TYR QD 1 112 MET ME . . 5.500 6.162 5.890 6.392 0.892 8 19 "[***** *+*****-******]" 1
2749 1 112 MET H 1 112 MET QB . . 3.710 2.720 2.458 2.900 . 0 0 "[ . 1 . 2]" 1
2750 1 112 MET H 1 112 MET ME . . 4.620 4.211 4.036 4.551 . 0 0 "[ . 1 . 2]" 1
2751 1 112 MET H 1 112 MET QG . . 3.820 2.570 2.343 2.940 . 0 0 "[ . 1 . 2]" 1
2752 1 112 MET H 1 113 VAL H . . 4.670 4.423 4.328 4.519 . 0 0 "[ . 1 . 2]" 1
2753 1 112 MET H 1 113 VAL MG2 . . 4.450 4.391 4.089 4.533 0.083 12 0 "[ . 1 . 2]" 1
2754 1 112 MET HA 1 112 MET ME . . 4.440 4.874 4.621 4.965 0.525 8 2 "[ . + 1 . - 2]" 1
2755 1 112 MET HA 1 112 MET QG . . 3.490 2.584 2.373 2.668 . 0 0 "[ . 1 . 2]" 1
2756 1 112 MET HA 1 113 VAL H . . 2.910 2.307 2.233 2.392 . 0 0 "[ . 1 . 2]" 1
2757 1 112 MET HA 1 113 VAL HA . . 4.840 4.399 4.378 4.447 . 0 0 "[ . 1 . 2]" 1
2758 1 112 MET HA 1 113 VAL MG2 . . 3.950 3.906 3.815 4.012 0.062 15 0 "[ . 1 . 2]" 1
2759 1 112 MET QB 1 113 VAL H . . 3.150 2.948 2.710 3.191 0.041 18 0 "[ . 1 . 2]" 1
2760 1 112 MET ME 1 112 MET QG . . 2.850 2.007 1.943 2.173 . 0 0 "[ . 1 . 2]" 1
2761 1 112 MET QG 1 113 VAL H . . 3.970 4.349 3.884 4.502 0.532 18 2 "[ . 1 - + 2]" 1
2762 1 113 VAL H 1 113 VAL HB . . 3.220 2.362 2.263 2.569 . 0 0 "[ . 1 . 2]" 1
2763 1 113 VAL H 1 113 VAL MG1 . . 3.760 3.588 3.557 3.631 . 0 0 "[ . 1 . 2]" 1
2764 1 113 VAL H 1 113 VAL MG2 . . 3.570 3.116 2.915 3.323 . 0 0 "[ . 1 . 2]" 1
2765 1 113 VAL H 1 114 TYR H . . 4.480 4.398 4.173 4.503 0.023 19 0 "[ . 1 . 2]" 1
2766 1 113 VAL HA 1 113 VAL MG1 . . 3.330 2.631 2.596 2.663 . 0 0 "[ . 1 . 2]" 1
2767 1 113 VAL HA 1 113 VAL MG2 . . 3.330 2.208 2.096 2.290 . 0 0 "[ . 1 . 2]" 1
2768 1 113 VAL HA 1 114 TYR H . . 2.960 2.220 2.182 2.296 . 0 0 "[ . 1 . 2]" 1
2769 1 113 VAL HA 1 114 TYR QD . . 4.680 3.985 3.778 4.284 . 0 0 "[ . 1 . 2]" 1
2770 1 113 VAL HB 1 114 TYR H . . 4.010 4.397 4.221 4.574 0.564 12 3 "[ * . - + . 2]" 1
2771 1 113 VAL MG1 1 114 TYR H . . 3.240 2.707 2.346 3.063 . 0 0 "[ . 1 . 2]" 1
2772 1 113 VAL MG1 1 114 TYR QD . . 4.420 4.528 4.260 4.796 0.376 12 0 "[ . 1 . 2]" 1
2773 1 113 VAL MG1 1 115 ALA MB . . 3.810 3.152 2.926 3.268 . 0 0 "[ . 1 . 2]" 1
2774 1 113 VAL MG2 1 114 TYR H . . 3.640 3.726 3.530 3.815 0.175 12 0 "[ . 1 . 2]" 1
2775 1 113 VAL MG2 1 114 TYR HA . . 5.460 5.495 5.428 5.533 0.073 10 0 "[ . 1 . 2]" 1
2776 1 114 TYR H 1 114 TYR HB2 . . 4.070 3.597 3.542 3.667 . 0 0 "[ . 1 . 2]" 1
2777 1 114 TYR H 1 114 TYR HB3 . . 3.830 2.578 2.481 2.755 . 0 0 "[ . 1 . 2]" 1
2778 1 114 TYR H 1 114 TYR QD . . 3.680 2.642 2.458 2.973 . 0 0 "[ . 1 . 2]" 1
2779 1 114 TYR H 1 115 ALA H . . 4.520 4.541 4.457 4.581 0.061 16 0 "[ . 1 . 2]" 1
2780 1 114 TYR H 1 115 ALA MB . . 4.410 4.474 4.230 4.680 0.270 10 0 "[ . 1 . 2]" 1
2781 1 114 TYR HA 1 114 TYR QD . . 4.130 3.670 3.541 3.734 . 0 0 "[ . 1 . 2]" 1
2782 1 114 TYR HA 1 115 ALA H . . 2.840 2.346 2.252 2.435 . 0 0 "[ . 1 . 2]" 1
2783 1 114 TYR HA 1 115 ALA MB . . 4.230 3.781 3.694 3.868 . 0 0 "[ . 1 . 2]" 1
2784 1 114 TYR HB2 1 115 ALA H . . 3.270 2.895 2.674 3.243 . 0 0 "[ . 1 . 2]" 1
2785 1 114 TYR HB3 1 115 ALA H . . 4.340 4.196 4.073 4.405 0.065 13 0 "[ . 1 . 2]" 1
2786 1 114 TYR QD 1 115 ALA H . . 3.650 3.020 2.708 3.229 . 0 0 "[ . 1 . 2]" 1
2787 1 114 TYR QD 1 115 ALA HA . . 4.120 2.634 2.306 2.877 . 0 0 "[ . 1 . 2]" 1
2788 1 114 TYR QD 1 115 ALA MB . . 3.930 3.935 3.620 4.142 0.212 2 0 "[ . 1 . 2]" 1
2789 1 114 TYR QD 1 116 SER H . . 5.400 4.958 4.571 5.123 . 0 0 "[ . 1 . 2]" 1
2790 1 114 TYR QE 1 115 ALA H . . 5.500 5.284 5.055 5.511 0.011 20 0 "[ . 1 . 2]" 1
2791 1 114 TYR QE 1 115 ALA HA . . 4.310 3.767 3.479 4.092 . 0 0 "[ . 1 . 2]" 1
2792 1 115 ALA H 1 115 ALA MB . . 3.270 2.824 2.740 2.891 . 0 0 "[ . 1 . 2]" 1
2793 1 115 ALA H 1 116 SER H . . 4.480 4.344 4.321 4.357 . 0 0 "[ . 1 . 2]" 1
2794 1 115 ALA H 1 117 GLN H . . 4.850 3.830 3.599 4.120 . 0 0 "[ . 1 . 2]" 1
2795 1 115 ALA HA 1 116 SER H . . 2.980 2.634 2.522 2.654 . 0 0 "[ . 1 . 2]" 1
2796 1 115 ALA HA 1 117 GLN H . . 4.310 4.121 4.000 4.252 . 0 0 "[ . 1 . 2]" 1
2797 1 115 ALA MB 1 116 SER H . . 3.130 2.274 2.142 2.399 . 0 0 "[ . 1 . 2]" 1
2798 1 115 ALA MB 1 116 SER HB2 . . 5.300 4.761 4.177 5.264 . 0 0 "[ . 1 . 2]" 1
2799 1 115 ALA MB 1 116 SER QB . . 4.590 3.946 3.834 4.236 . 0 0 "[ . 1 . 2]" 1
2800 1 115 ALA MB 1 116 SER HB3 . . 5.300 4.256 4.062 5.253 . 0 0 "[ . 1 . 2]" 1
2801 1 115 ALA MB 1 117 GLN H . . 2.830 2.449 2.209 2.751 . 0 0 "[ . 1 . 2]" 1
2802 1 115 ALA MB 1 117 GLN HA . . 5.500 4.720 4.620 4.799 . 0 0 "[ . 1 . 2]" 1
2803 1 115 ALA MB 1 117 GLN QB . . 3.660 3.292 2.883 3.748 0.088 15 0 "[ . 1 . 2]" 1
2804 1 116 SER H 1 116 SER HB2 . . 3.870 2.924 2.180 3.606 . 0 0 "[ . 1 . 2]" 1
2805 1 116 SER H 1 116 SER QB . . 3.340 2.257 2.132 2.736 . 0 0 "[ . 1 . 2]" 1
2806 1 116 SER H 1 116 SER HB3 . . 3.870 2.428 2.187 3.599 . 0 0 "[ . 1 . 2]" 1
2807 1 116 SER H 1 117 GLN H . . 3.150 2.890 2.722 3.190 0.040 13 0 "[ . 1 . 2]" 1
2808 1 116 SER H 1 117 GLN QB . . 4.160 3.984 3.860 4.110 . 0 0 "[ . 1 . 2]" 1
2809 1 116 SER HA 1 117 GLN H . . 3.230 3.004 2.844 3.109 . 0 0 "[ . 1 . 2]" 1
2810 1 116 SER QB 1 117 GLN H . . 4.120 3.897 3.764 4.074 . 0 0 "[ . 1 . 2]" 1
2811 1 116 SER HB2 1 117 GLN H . . 4.790 4.616 4.151 4.700 . 0 0 "[ . 1 . 2]" 1
2812 1 116 SER HB3 1 117 GLN H . . 4.790 4.219 3.994 4.680 . 0 0 "[ . 1 . 2]" 1
2813 1 117 GLN H 1 117 GLN HB2 . . 3.670 3.314 2.710 3.961 0.291 7 0 "[ . 1 . 2]" 1
2814 1 117 GLN H 1 117 GLN QB . . 3.050 2.792 2.635 3.033 . 0 0 "[ . 1 . 2]" 1
2815 1 117 GLN H 1 117 GLN HB3 . . 3.670 3.242 2.823 3.649 . 0 0 "[ . 1 . 2]" 1
2816 1 117 GLN H 1 117 GLN HG2 . . 4.950 4.114 2.602 4.952 0.002 6 0 "[ . 1 . 2]" 1
2817 1 117 GLN H 1 117 GLN QG . . 4.080 3.528 2.565 4.082 0.002 2 0 "[ . 1 . 2]" 1
2818 1 117 GLN H 1 117 GLN HG3 . . 4.950 4.119 3.835 4.584 . 0 0 "[ . 1 . 2]" 1
2819 1 117 GLN H 1 118 GLU H . . 4.400 4.225 4.082 4.359 . 0 0 "[ . 1 . 2]" 1
2820 1 117 GLN H 1 118 GLU HA . . 4.620 4.510 4.433 4.581 . 0 0 "[ . 1 . 2]" 1
2821 1 117 GLN H 1 118 GLU HB2 . . 5.500 5.285 5.016 5.523 0.023 16 0 "[ . 1 . 2]" 1
2822 1 117 GLN H 1 118 GLU HB3 . . 5.500 5.521 5.244 5.624 0.124 20 0 "[ . 1 . 2]" 1
2823 1 117 GLN HA 1 117 GLN HG2 . . 4.260 3.223 2.462 3.873 . 0 0 "[ . 1 . 2]" 1
2824 1 117 GLN HA 1 117 GLN QG . . 3.580 2.632 2.155 3.289 . 0 0 "[ . 1 . 2]" 1
2825 1 117 GLN HA 1 117 GLN HG3 . . 4.260 2.846 2.258 3.720 . 0 0 "[ . 1 . 2]" 1
2826 1 117 GLN HA 1 118 GLU H . . 2.660 2.263 2.204 2.365 . 0 0 "[ . 1 . 2]" 1
2827 1 117 GLN HA 1 118 GLU HB2 . . 5.110 4.938 4.869 5.153 0.043 16 0 "[ . 1 . 2]" 1
2828 1 117 GLN HA 1 118 GLU HB3 . . 4.540 4.216 4.141 4.299 . 0 0 "[ . 1 . 2]" 1
2829 1 117 GLN HA 1 119 THR H . . 3.880 3.550 3.386 3.741 . 0 0 "[ . 1 . 2]" 1
2830 1 117 GLN QB 1 118 GLU H . . 3.230 3.406 3.181 3.614 0.384 14 0 "[ . 1 . 2]" 1
2831 1 117 GLN QB 1 119 THR H . . 3.570 3.386 3.069 3.855 0.285 14 0 "[ . 1 . 2]" 1
2832 1 117 GLN QE 1 117 GLN QG . . 3.010 2.288 2.033 2.600 . 0 0 "[ . 1 . 2]" 1
2833 1 117 GLN QE 1 120 PHE HA . . 3.410 2.738 2.115 3.361 . 0 0 "[ . 1 . 2]" 1
2834 1 117 GLN HE21 1 120 PHE HA . . 4.120 2.878 2.168 3.684 . 0 0 "[ . 1 . 2]" 1
2835 1 117 GLN HE22 1 120 PHE HA . . 4.120 3.631 2.940 3.974 . 0 0 "[ . 1 . 2]" 1
2836 1 117 GLN QG 1 118 GLU H . . 3.430 3.152 1.945 3.805 0.375 11 0 "[ . 1 . 2]" 1
2837 1 117 GLN QG 1 119 THR H . . 3.430 2.937 1.750 3.509 0.079 16 0 "[ . 1 . 2]" 1
2838 1 117 GLN QG 1 119 THR HA . . 5.110 4.987 3.927 5.959 0.849 10 7 "[* - . * + * . ** 2]" 1
2839 1 117 GLN QG 1 120 PHE HA . . 4.660 3.634 2.732 4.731 0.071 10 0 "[ . 1 . 2]" 1
2840 1 118 GLU H 1 118 GLU HB2 . . 3.630 3.405 3.263 3.508 . 0 0 "[ . 1 . 2]" 1
2841 1 118 GLU H 1 118 GLU HB3 . . 3.030 2.393 2.292 2.510 . 0 0 "[ . 1 . 2]" 1
2842 1 118 GLU H 1 118 GLU HG2 . . 3.870 3.819 3.541 3.904 0.034 1 0 "[ . 1 . 2]" 1
2843 1 118 GLU H 1 118 GLU HG3 . . 4.490 4.496 4.373 4.540 0.050 12 0 "[ . 1 . 2]" 1
2844 1 118 GLU H 1 119 THR H . . 2.910 1.952 1.821 2.102 . 0 0 "[ . 1 . 2]" 1
2845 1 118 GLU HA 1 118 GLU HG2 . . 3.840 3.532 3.479 3.618 . 0 0 "[ . 1 . 2]" 1
2846 1 118 GLU HA 1 118 GLU HG3 . . 3.530 2.899 2.830 3.077 . 0 0 "[ . 1 . 2]" 1
2847 1 118 GLU HA 1 119 THR H . . 3.550 3.359 3.316 3.429 . 0 0 "[ . 1 . 2]" 1
2848 1 118 GLU HA 1 119 THR HA . . 4.800 4.494 4.474 4.557 . 0 0 "[ . 1 . 2]" 1
2849 1 118 GLU HA 1 120 PHE QE . . 5.460 3.491 2.827 4.470 . 0 0 "[ . 1 . 2]" 1
2850 1 118 GLU HB3 1 119 THR H . . 3.820 3.656 3.535 3.766 . 0 0 "[ . 1 . 2]" 1
2851 1 118 GLU HG2 1 119 THR H . . 4.020 3.848 3.423 3.962 . 0 0 "[ . 1 . 2]" 1
2852 1 118 GLU HG2 1 119 THR MG . . 4.360 2.086 1.937 3.164 . 0 0 "[ . 1 . 2]" 1
2853 1 118 GLU HG3 1 119 THR H . . 4.700 4.647 4.364 4.720 0.020 12 0 "[ . 1 . 2]" 1
2854 1 119 THR H 1 119 THR HB . . 3.750 3.750 3.436 3.831 0.081 6 0 "[ . 1 . 2]" 1
2855 1 119 THR H 1 119 THR MG . . 3.550 2.856 2.031 3.428 . 0 0 "[ . 1 . 2]" 1
2856 1 119 THR H 1 120 PHE H . . 4.140 2.889 1.855 3.666 . 0 0 "[ . 1 . 2]" 1
2857 1 119 THR HA 1 119 THR MG . . 3.180 2.452 2.137 3.159 . 0 0 "[ . 1 . 2]" 1
2858 1 119 THR HA 1 120 PHE H . . 2.900 2.711 2.278 3.521 0.621 10 1 "[ . + . 2]" 1
2859 1 119 THR HA 1 120 PHE HB3 . . 5.070 5.206 4.937 5.601 0.531 16 2 "[ . - .+ 2]" 1
2860 1 119 THR HA 1 120 PHE QD . . 4.250 3.998 2.851 4.285 0.035 18 0 "[ . 1 . 2]" 1
2861 1 119 THR HB 1 120 PHE H . . 4.120 4.456 4.177 4.649 0.529 13 1 "[ . 1 + . 2]" 1
2862 1 119 THR MG 1 120 PHE H . . 4.380 4.267 3.191 4.465 0.085 16 0 "[ . 1 . 2]" 1
2863 1 119 THR MG 1 120 PHE QD . . 5.270 5.043 4.356 5.245 . 0 0 "[ . 1 . 2]" 1
2864 1 119 THR MG 1 121 GLY H . . 4.960 5.348 5.030 5.634 0.674 16 7 "[ *- 1** *.+ * 2]" 1
2865 1 119 THR MG 1 121 GLY QA . . 5.500 5.979 5.699 6.025 0.525 13 13 "[* * **-**1 *+ * * **]" 1
2866 1 120 PHE H 1 120 PHE HB2 . . 4.090 3.491 3.417 3.548 . 0 0 "[ . 1 . 2]" 1
2867 1 120 PHE H 1 120 PHE HB3 . . 3.450 2.705 2.126 3.182 . 0 0 "[ . 1 . 2]" 1
2868 1 120 PHE H 1 120 PHE QD . . 4.060 2.121 1.928 2.426 . 0 0 "[ . 1 . 2]" 1
2869 1 120 PHE H 1 121 GLY H . . 4.350 2.406 1.895 3.601 . 0 0 "[ . 1 . 2]" 1
2870 1 120 PHE HA 1 120 PHE QD . . 3.910 3.727 3.565 3.760 . 0 0 "[ . 1 . 2]" 1
2871 1 120 PHE HB2 1 121 GLY H . . 4.110 3.618 1.873 4.109 . 0 0 "[ . 1 . 2]" 1
2872 1 120 PHE HB3 1 121 GLY H . . 4.380 3.985 3.457 4.156 . 0 0 "[ . 1 . 2]" 1
2873 1 120 PHE QD 1 121 GLY H . . 4.330 2.862 1.859 3.302 . 0 0 "[ . 1 . 2]" 1
2874 1 120 PHE QD 1 121 GLY QA . . 4.670 3.272 2.714 3.714 . 0 0 "[ . 1 . 2]" 1
2875 1 120 PHE QE 1 121 GLY H . . 4.490 3.825 3.372 4.151 . 0 0 "[ . 1 . 2]" 1
2876 1 121 GLY H 1 121 GLY QA . . 2.670 2.211 2.153 2.498 . 0 0 "[ . 1 . 2]" 1
2877 2 1 MET HA 2 1 MET HG2 . . 4.220 3.095 2.178 3.832 . 0 0 "[ . 1 . 2]" 1
2878 2 1 MET HA 2 1 MET QG . . 3.660 2.652 2.158 3.399 . 0 0 "[ . 1 . 2]" 1
2879 2 1 MET HA 2 1 MET HG3 . . 4.220 3.246 2.240 4.257 0.037 15 0 "[ . 1 . 2]" 1
2880 2 3 GLY QA 2 4 GLY H . . 3.150 2.507 2.184 2.979 . 0 0 "[ . 1 . 2]" 1
2881 2 4 GLY QA 2 5 ASP H . . 3.320 2.332 2.172 2.731 . 0 0 "[ . 1 . 2]" 1
2882 2 4 GLY QA 2 5 ASP QB . . 4.410 4.251 3.948 4.548 0.138 7 0 "[ . 1 . 2]" 1
2883 2 4 GLY QA 2 6 ASP H . . 4.630 3.731 3.055 4.148 . 0 0 "[ . 1 . 2]" 1
2884 2 5 ASP H 2 5 ASP HB2 . . 4.070 2.804 2.075 3.623 . 0 0 "[ . 1 . 2]" 1
2885 2 5 ASP H 2 5 ASP QB . . 3.310 2.571 2.059 3.282 . 0 0 "[ . 1 . 2]" 1
2886 2 5 ASP H 2 5 ASP HB3 . . 4.070 3.450 2.893 3.865 . 0 0 "[ . 1 . 2]" 1
2887 2 5 ASP H 2 6 ASP H . . 3.800 3.322 2.107 3.810 0.010 15 0 "[ . 1 . 2]" 1
2888 2 5 ASP H 2 7 ASP H . . 5.480 5.474 4.066 6.213 0.733 9 2 "[ . +1 . - 2]" 1
2889 2 5 ASP HA 2 6 ASP H . . 3.440 2.746 2.456 3.654 0.214 12 0 "[ . 1 . 2]" 1
2890 2 5 ASP QB 2 6 ASP H . . 4.160 3.775 2.139 4.029 . 0 0 "[ . 1 . 2]" 1
2891 2 5 ASP HB2 2 6 ASP H . . 4.750 4.140 2.239 4.531 . 0 0 "[ . 1 . 2]" 1
2892 2 5 ASP HB3 2 6 ASP H . . 4.750 4.394 2.713 4.720 . 0 0 "[ . 1 . 2]" 1
2893 2 6 ASP H 2 6 ASP HB2 . . 3.550 2.639 2.100 3.527 . 0 0 "[ . 1 . 2]" 1
2894 2 6 ASP H 2 6 ASP QB . . 2.870 2.378 2.083 3.038 0.168 12 0 "[ . 1 . 2]" 1
2895 2 6 ASP H 2 6 ASP HB3 . . 3.550 3.223 2.238 3.765 0.215 12 0 "[ . 1 . 2]" 1
2896 2 6 ASP H 2 7 ASP H . . 3.390 2.780 2.192 3.509 0.119 12 0 "[ . 1 . 2]" 1
2897 2 6 ASP QB 2 7 ASP H . . 3.990 2.815 1.931 3.931 . 0 0 "[ . 1 . 2]" 1
2898 2 6 ASP HB2 2 7 ASP H . . 4.810 3.224 1.942 4.641 . 0 0 "[ . 1 . 2]" 1
2899 2 6 ASP HB3 2 7 ASP H . . 4.810 3.492 2.016 4.372 . 0 0 "[ . 1 . 2]" 1
2900 2 7 ASP H 2 7 ASP QB . . 3.220 2.905 2.306 3.417 0.197 15 0 "[ . 1 . 2]" 1
2901 2 7 ASP H 2 8 TRP H . . 4.420 4.181 3.565 4.442 0.022 12 0 "[ . 1 . 2]" 1
2902 2 7 ASP HA 2 8 TRP H . . 2.860 2.296 2.252 2.499 . 0 0 "[ . 1 . 2]" 1
2903 2 7 ASP QB 2 8 TRP H . . 3.310 3.273 2.548 3.614 0.304 19 0 "[ . 1 . 2]" 1
2904 2 7 ASP QB 2 8 TRP HD1 . . 5.340 4.689 4.168 5.261 . 0 0 "[ . 1 . 2]" 1
2905 2 8 TRP H 2 8 TRP HB2 . . 3.670 2.623 2.507 2.748 . 0 0 "[ . 1 . 2]" 1
2906 2 8 TRP H 2 8 TRP QB . . 3.210 2.558 2.459 2.654 . 0 0 "[ . 1 . 2]" 1
2907 2 8 TRP H 2 8 TRP HB3 . . 3.670 3.567 3.504 3.654 . 0 0 "[ . 1 . 2]" 1
2908 2 8 TRP H 2 8 TRP HD1 . . 3.410 2.391 2.133 2.739 . 0 0 "[ . 1 . 2]" 1
2909 2 8 TRP H 2 8 TRP HE1 . . 5.090 4.299 3.993 4.518 . 0 0 "[ . 1 . 2]" 1
2910 2 8 TRP H 2 8 TRP HE3 . . 5.500 4.799 4.647 4.966 . 0 0 "[ . 1 . 2]" 1
2911 2 8 TRP HA 2 8 TRP HD1 . . 4.830 2.643 2.439 2.731 . 0 0 "[ . 1 . 2]" 1
2912 2 8 TRP HA 2 8 TRP HE3 . . 4.180 5.137 5.055 5.183 1.003 19 20 [******-***********+*] 1
2913 2 8 TRP HA 2 9 THR HB . . 5.500 4.545 4.052 5.022 . 0 0 "[ . 1 . 2]" 1
2914 2 8 TRP HA 2 9 THR MG . . 5.500 5.361 4.779 5.744 0.244 14 0 "[ . 1 . 2]" 1
2915 2 8 TRP QB 2 9 THR H . . 3.960 1.957 1.881 2.013 . 0 0 "[ . 1 . 2]" 1
2916 2 8 TRP HB2 2 9 THR H . . 4.640 2.300 1.896 2.529 . 0 0 "[ . 1 . 2]" 1
2917 2 8 TRP HB3 2 9 THR H . . 4.640 2.267 1.973 3.200 . 0 0 "[ . 1 . 2]" 1
2918 2 8 TRP HE3 2 9 THR H . . 4.200 4.218 4.157 4.281 0.081 9 0 "[ . 1 . 2]" 1
2919 2 9 THR H 2 9 THR HB . . 3.910 2.413 2.115 3.230 . 0 0 "[ . 1 . 2]" 1
2920 2 9 THR H 2 9 THR MG . . 4.240 3.020 2.327 3.676 . 0 0 "[ . 1 . 2]" 1
2921 2 9 THR H 2 11 LEU QD . . 5.440 4.484 4.010 5.034 . 0 0 "[ . 1 . 2]" 1
2922 2 9 THR HA 2 9 THR MG . . 3.230 2.972 2.481 3.216 . 0 0 "[ . 1 . 2]" 1
2923 2 9 THR HA 2 10 HIS H . . 3.180 2.399 2.156 2.763 . 0 0 "[ . 1 . 2]" 1
2924 2 9 THR HA 2 10 HIS HD2 . . 5.390 5.045 4.355 5.505 0.115 10 0 "[ . 1 . 2]" 1
2925 2 9 THR HB 2 10 HIS H . . 4.930 4.131 3.758 4.587 . 0 0 "[ . 1 . 2]" 1
2926 2 9 THR HB 2 11 LEU QD . . 4.680 3.898 2.929 4.615 . 0 0 "[ . 1 . 2]" 1
2927 2 9 THR MG 2 10 HIS H . . 3.640 2.607 1.832 3.601 . 0 0 "[ . 1 . 2]" 1
2928 2 9 THR MG 2 10 HIS QB . . 5.340 4.383 4.046 4.955 . 0 0 "[ . 1 . 2]" 1
2929 2 9 THR MG 2 11 LEU H . . 4.300 3.926 3.520 4.197 . 0 0 "[ . 1 . 2]" 1
2930 2 9 THR MG 2 11 LEU MD1 . . 4.100 3.661 3.316 4.098 . 0 0 "[ . 1 . 2]" 1
2931 2 9 THR MG 2 11 LEU QD . . 3.090 1.843 1.679 2.041 . 0 0 "[ . 1 . 2]" 1
2932 2 9 THR MG 2 11 LEU MD2 . . 4.100 1.849 1.684 2.048 . 0 0 "[ . 1 . 2]" 1
2933 2 9 THR MG 2 11 LEU HG . . 4.470 3.581 2.802 4.552 0.082 7 0 "[ . 1 . 2]" 1
2934 2 10 HIS H 2 10 HIS QB . . 3.280 3.013 2.836 3.186 . 0 0 "[ . 1 . 2]" 1
2935 2 10 HIS H 2 10 HIS HD2 . . 3.890 3.169 2.648 3.726 . 0 0 "[ . 1 . 2]" 1
2936 2 10 HIS H 2 11 LEU H . . 4.670 4.375 4.106 4.510 . 0 0 "[ . 1 . 2]" 1
2937 2 10 HIS H 2 11 LEU QD . . 5.130 3.604 3.073 4.281 . 0 0 "[ . 1 . 2]" 1
2938 2 10 HIS HA 2 11 LEU H . . 2.920 2.197 2.185 2.222 . 0 0 "[ . 1 . 2]" 1
2939 2 10 HIS HA 2 11 LEU QB . . 5.300 4.342 4.199 4.516 . 0 0 "[ . 1 . 2]" 1
2940 2 10 HIS HA 2 11 LEU HG . . 5.500 4.324 3.724 5.205 . 0 0 "[ . 1 . 2]" 1
2941 2 10 HIS QB 2 11 LEU H . . 3.550 3.324 3.178 3.496 . 0 0 "[ . 1 . 2]" 1
2942 2 10 HIS QB 2 12 SER H . . 5.500 4.472 3.744 4.993 . 0 0 "[ . 1 . 2]" 1
2943 2 10 HIS HD2 2 12 SER H . . 5.500 5.404 4.808 5.517 0.017 14 0 "[ . 1 . 2]" 1
2944 2 11 LEU H 2 11 LEU HB2 . . 3.810 2.383 2.212 2.579 . 0 0 "[ . 1 . 2]" 1
2945 2 11 LEU H 2 11 LEU HB3 . . 3.810 3.608 3.555 3.685 . 0 0 "[ . 1 . 2]" 1
2946 2 11 LEU H 2 11 LEU MD1 . . 4.110 4.095 3.748 4.332 0.222 17 0 "[ . 1 . 2]" 1
2947 2 11 LEU H 2 11 LEU QD . . 3.170 2.609 2.092 3.166 . 0 0 "[ . 1 . 2]" 1
2948 2 11 LEU H 2 11 LEU MD2 . . 4.110 2.650 2.097 3.287 . 0 0 "[ . 1 . 2]" 1
2949 2 11 LEU H 2 11 LEU HG . . 4.010 2.886 2.150 3.702 . 0 0 "[ . 1 . 2]" 1
2950 2 11 LEU HA 2 11 LEU MD1 . . 4.010 3.452 2.630 3.808 . 0 0 "[ . 1 . 2]" 1
2951 2 11 LEU HA 2 11 LEU QD . . 2.990 1.941 1.853 2.129 . 0 0 "[ . 1 . 2]" 1
2952 2 11 LEU HA 2 11 LEU MD2 . . 4.010 1.958 1.860 2.249 . 0 0 "[ . 1 . 2]" 1
2953 2 11 LEU HA 2 11 LEU HG . . 4.220 3.558 3.279 3.781 . 0 0 "[ . 1 . 2]" 1
2954 2 11 LEU HA 2 12 SER H . . 2.800 2.222 2.176 2.327 . 0 0 "[ . 1 . 2]" 1
2955 2 11 LEU QB 2 11 LEU QD . . 2.550 1.929 1.868 2.001 . 0 0 "[ . 1 . 2]" 1
2956 2 11 LEU QB 2 12 SER H . . 4.120 3.580 3.328 3.869 . 0 0 "[ . 1 . 2]" 1
2957 2 11 LEU QB 2 12 SER HA . . 5.340 4.363 4.205 4.611 . 0 0 "[ . 1 . 2]" 1
2958 2 11 LEU HB2 2 12 SER H . . 4.700 4.431 4.189 4.579 . 0 0 "[ . 1 . 2]" 1
2959 2 11 LEU HB3 2 12 SER H . . 4.700 3.789 3.447 4.180 . 0 0 "[ . 1 . 2]" 1
2960 2 11 LEU QD 2 12 SER H . . 5.340 3.640 3.266 3.833 . 0 0 "[ . 1 . 2]" 1
2961 2 12 SER H 2 12 SER HB2 . . 3.600 2.822 2.509 2.941 . 0 0 "[ . 1 . 2]" 1
2962 2 12 SER H 2 12 SER HB3 . . 3.980 3.667 3.486 3.801 . 0 0 "[ . 1 . 2]" 1
2963 2 12 SER H 2 15 GLU QG . . 4.730 4.209 3.604 4.490 . 0 0 "[ . 1 . 2]" 1
2964 2 12 SER HB2 2 13 SER H . . 5.210 3.821 2.109 4.023 . 0 0 "[ . 1 . 2]" 1
2965 2 12 SER HB2 2 14 LYS HB2 . . 5.350 5.111 5.049 5.139 . 0 0 "[ . 1 . 2]" 1
2966 2 12 SER HB2 2 14 LYS HB3 . . 5.370 5.334 4.966 5.464 0.094 3 0 "[ . 1 . 2]" 1
2967 2 12 SER HB2 2 14 LYS QG . . 4.530 2.470 2.371 2.559 . 0 0 "[ . 1 . 2]" 1
2968 2 12 SER HB2 2 15 GLU QG . . 3.970 2.061 1.805 2.375 . 0 0 "[ . 1 . 2]" 1
2969 2 12 SER HB3 2 13 SER H . . 5.500 3.385 2.461 3.656 . 0 0 "[ . 1 . 2]" 1
2970 2 12 SER HB3 2 14 LYS HB2 . . 5.190 4.913 4.716 5.003 . 0 0 "[ . 1 . 2]" 1
2971 2 12 SER HB3 2 14 LYS HB3 . . 5.120 4.749 4.447 4.887 . 0 0 "[ . 1 . 2]" 1
2972 2 12 SER HB3 2 14 LYS QG . . 4.480 2.300 2.091 2.374 . 0 0 "[ . 1 . 2]" 1
2973 2 12 SER HB3 2 15 GLU QG . . 3.580 3.147 2.767 3.346 . 0 0 "[ . 1 . 2]" 1
2974 2 13 SER HA 2 13 SER QB . . 2.610 2.185 2.153 2.283 . 0 0 "[ . 1 . 2]" 1
2975 2 13 SER HA 2 14 LYS QG . . 5.170 4.860 4.712 4.975 . 0 0 "[ . 1 . 2]" 1
2976 2 13 SER HA 2 15 GLU H . . 4.180 3.913 3.755 4.115 . 0 0 "[ . 1 . 2]" 1
2977 2 13 SER HA 2 16 VAL H . . 4.310 3.465 3.282 3.680 . 0 0 "[ . 1 . 2]" 1
2978 2 13 SER HA 2 16 VAL HB . . 4.510 4.397 4.086 4.561 0.051 5 0 "[ . 1 . 2]" 1
2979 2 13 SER HA 2 16 VAL QG . . 2.970 1.851 1.731 2.004 . 0 0 "[ . 1 . 2]" 1
2980 2 13 SER QB 2 14 LYS H . . 3.870 3.818 3.322 3.911 0.041 16 0 "[ . 1 . 2]" 1
2981 2 13 SER QB 2 14 LYS QD . . 4.620 3.756 3.335 4.223 . 0 0 "[ . 1 . 2]" 1
2982 2 13 SER QB 2 14 LYS QG . . 5.340 5.113 4.633 5.281 . 0 0 "[ . 1 . 2]" 1
2983 2 13 SER QB 2 16 VAL H . . 5.340 4.904 4.690 5.019 . 0 0 "[ . 1 . 2]" 1
2984 2 13 SER QB 2 16 VAL HB . . 5.340 5.317 5.222 5.387 0.047 19 0 "[ . 1 . 2]" 1
2985 2 13 SER QB 2 16 VAL QG . . 3.560 2.794 2.605 2.871 . 0 0 "[ . 1 . 2]" 1
2986 2 13 SER HB2 2 14 LYS H . . 4.740 4.462 3.429 4.698 . 0 0 "[ . 1 . 2]" 1
2987 2 13 SER HB3 2 14 LYS H . . 4.740 4.239 3.969 4.675 . 0 0 "[ . 1 . 2]" 1
2988 2 14 LYS H 2 14 LYS HB2 . . 3.660 3.530 3.501 3.542 . 0 0 "[ . 1 . 2]" 1
2989 2 14 LYS H 2 14 LYS HB3 . . 3.440 3.136 2.960 3.362 . 0 0 "[ . 1 . 2]" 1
2990 2 14 LYS H 2 14 LYS QD . . 4.640 1.941 1.906 2.201 . 0 0 "[ . 1 . 2]" 1
2991 2 14 LYS H 2 14 LYS QG . . 3.720 1.850 1.796 1.881 . 0 0 "[ . 1 . 2]" 1
2992 2 14 LYS H 2 15 GLU QG . . 4.920 3.364 3.195 3.583 . 0 0 "[ . 1 . 2]" 1
2993 2 14 LYS H 2 16 VAL H . . 5.150 3.535 3.253 3.748 . 0 0 "[ . 1 . 2]" 1
2994 2 14 LYS H 2 16 VAL QG . . 4.960 3.409 3.245 3.654 . 0 0 "[ . 1 . 2]" 1
2995 2 14 LYS HA 2 14 LYS HB2 . . 2.670 2.601 2.565 2.656 . 0 0 "[ . 1 . 2]" 1
2996 2 14 LYS HA 2 14 LYS HB3 . . 2.660 2.307 2.273 2.330 . 0 0 "[ . 1 . 2]" 1
2997 2 14 LYS HA 2 14 LYS QD . . 3.630 3.557 3.296 3.683 0.053 8 0 "[ . 1 . 2]" 1
2998 2 14 LYS HA 2 14 LYS QE . . 5.380 4.593 3.466 5.405 0.025 2 0 "[ . 1 . 2]" 1
2999 2 14 LYS HA 2 14 LYS QG . . 3.610 3.385 3.359 3.414 . 0 0 "[ . 1 . 2]" 1
3000 2 14 LYS HA 2 15 GLU H . . 3.550 3.525 3.483 3.572 0.022 9 0 "[ . 1 . 2]" 1
3001 2 14 LYS HA 2 15 GLU QG . . 5.070 4.704 4.544 4.832 . 0 0 "[ . 1 . 2]" 1
3002 2 14 LYS HA 2 16 VAL H . . 3.780 3.593 3.440 3.754 . 0 0 "[ . 1 . 2]" 1
3003 2 14 LYS HA 2 16 VAL QG . . 4.220 3.348 3.128 3.616 . 0 0 "[ . 1 . 2]" 1
3004 2 14 LYS HB2 2 15 GLU H . . 4.110 3.832 3.650 3.966 . 0 0 "[ . 1 . 2]" 1
3005 2 14 LYS HB2 2 15 GLU HA . . 4.720 4.359 4.228 4.434 . 0 0 "[ . 1 . 2]" 1
3006 2 14 LYS HB2 2 16 VAL H . . 5.460 5.099 4.928 5.222 . 0 0 "[ . 1 . 2]" 1
3007 2 14 LYS HB3 2 15 GLU H . . 4.460 4.343 4.227 4.423 . 0 0 "[ . 1 . 2]" 1
3008 2 14 LYS HB3 2 16 VAL H . . 5.500 5.446 5.306 5.517 0.017 18 0 "[ . 1 . 2]" 1
3009 2 14 LYS QE 2 14 LYS QG . . 3.120 2.245 1.964 2.942 . 0 0 "[ . 1 . 2]" 1
3010 2 14 LYS QE 2 15 GLU H . . 5.440 4.951 4.438 5.372 . 0 0 "[ . 1 . 2]" 1
3011 2 14 LYS QG 2 15 GLU H . . 4.300 2.275 2.001 2.469 . 0 0 "[ . 1 . 2]" 1
3012 2 14 LYS QG 2 15 GLU HA . . 4.450 4.042 3.853 4.236 . 0 0 "[ . 1 . 2]" 1
3013 2 14 LYS QG 2 15 GLU QG . . 4.580 2.263 2.108 2.547 . 0 0 "[ . 1 . 2]" 1
3014 2 14 LYS QG 2 16 VAL H . . 4.840 4.361 4.207 4.482 . 0 0 "[ . 1 . 2]" 1
3015 2 15 GLU H 2 15 GLU HB2 . . 3.440 2.568 2.483 2.819 . 0 0 "[ . 1 . 2]" 1
3016 2 15 GLU H 2 15 GLU HB3 . . 3.710 3.607 3.565 3.651 . 0 0 "[ . 1 . 2]" 1
3017 2 15 GLU H 2 15 GLU QG . . 3.150 2.131 1.925 2.413 . 0 0 "[ . 1 . 2]" 1
3018 2 15 GLU H 2 16 VAL H . . 3.400 2.436 2.316 2.609 . 0 0 "[ . 1 . 2]" 1
3019 2 15 GLU H 2 16 VAL QG . . 4.220 3.062 2.881 3.291 . 0 0 "[ . 1 . 2]" 1
3020 2 15 GLU HA 2 15 GLU HB3 . . 2.910 2.426 2.325 2.466 . 0 0 "[ . 1 . 2]" 1
3021 2 15 GLU HA 2 15 GLU QG . . 2.610 2.593 2.352 2.750 0.140 16 0 "[ . 1 . 2]" 1
3022 2 15 GLU HA 2 16 VAL H . . 3.440 3.334 3.307 3.413 . 0 0 "[ . 1 . 2]" 1
3023 2 15 GLU HB2 2 15 GLU QG . . 2.520 2.264 2.166 2.460 . 0 0 "[ . 1 . 2]" 1
3024 2 15 GLU HB2 2 16 VAL H . . 3.850 3.572 3.381 3.628 . 0 0 "[ . 1 . 2]" 1
3025 2 15 GLU HB2 2 16 VAL QG . . 3.840 3.587 3.120 3.813 . 0 0 "[ . 1 . 2]" 1
3026 2 15 GLU HB3 2 16 VAL H . . 4.490 4.448 4.354 4.535 0.045 15 0 "[ . 1 . 2]" 1
3027 2 15 GLU HB3 2 16 VAL QG . . 4.580 4.652 4.187 4.907 0.327 19 0 "[ . 1 . 2]" 1
3028 2 15 GLU QG 2 16 VAL H . . 4.670 4.125 3.840 4.256 . 0 0 "[ . 1 . 2]" 1
3029 2 16 VAL H 2 16 VAL HB . . 3.720 3.552 3.519 3.652 . 0 0 "[ . 1 . 2]" 1
3030 2 16 VAL H 2 16 VAL QG . . 2.610 1.839 1.791 2.088 . 0 0 "[ . 1 . 2]" 1
3031 2 16 VAL HA 2 16 VAL HB . . 2.620 2.396 2.282 2.529 . 0 0 "[ . 1 . 2]" 1
3032 2 16 VAL HA 2 16 VAL QG . . 2.550 2.366 2.158 2.465 . 0 0 "[ . 1 . 2]" 1
3033 2 16 VAL HA 2 17 ASP H . . 2.630 2.667 2.418 2.839 0.209 7 0 "[ . 1 . 2]" 1
3034 2 16 VAL HB 2 17 ASP H . . 3.000 2.222 1.959 2.786 . 0 0 "[ . 1 . 2]" 1
3035 2 16 VAL QG 2 17 ASP H . . 3.170 2.804 2.279 2.979 . 0 0 "[ . 1 . 2]" 1
3036 2 16 VAL QG 2 17 ASP HA . . 4.450 4.003 3.591 4.218 . 0 0 "[ . 1 . 2]" 1
3037 2 16 VAL QG 2 17 ASP QB . . 4.250 3.868 3.088 4.116 . 0 0 "[ . 1 . 2]" 1
3038 2 17 ASP H 2 17 ASP HA . . 2.850 2.834 2.697 2.914 0.064 16 0 "[ . 1 . 2]" 1
3039 2 17 ASP H 2 17 ASP HB2 . . 3.010 2.566 2.160 2.998 . 0 0 "[ . 1 . 2]" 1
3040 2 17 ASP H 2 17 ASP QB . . 2.560 2.227 2.093 2.409 . 0 0 "[ . 1 . 2]" 1
3041 2 17 ASP H 2 17 ASP HB3 . . 3.010 2.534 2.200 2.809 . 0 0 "[ . 1 . 2]" 1
3042 2 17 ASP HA 2 17 ASP QB . . 2.570 2.362 2.226 2.447 . 0 0 "[ . 1 . 2]" 1
stop_
save_