NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615102 |
2nch   |
26022 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nch
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 1162
_Distance_constraint_stats_list.Viol_count 2102
_Distance_constraint_stats_list.Viol_total 6418.760
_Distance_constraint_stats_list.Viol_max 2.251
_Distance_constraint_stats_list.Viol_rms 0.1905
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0552
_Distance_constraint_stats_list.Viol_average_violations_only 0.3054
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 7.325 1.199 6 6 "[ **+** -]"
1 2 VAL 11.062 1.199 6 7 "[ - **+** *]"
1 3 LYS 12.277 1.133 8 3 "[ - * + 1]"
1 4 ASP 8.520 1.271 8 2 "[ - + 1]"
1 5 GLU 7.527 1.271 8 3 "[ - *. + 1]"
1 6 LYS 19.069 1.316 8 8 "[ -**.**+**]"
1 7 SER 12.125 1.407 2 7 "[ +**.*-**1]"
1 8 LYS 13.727 1.407 2 6 "[-+*** *1]"
1 9 THR 6.632 1.148 3 2 "[ + - 1]"
1 10 LEU 35.855 1.518 3 9 [**+******1]
1 11 PHE 5.176 0.908 3 2 "[ + . -]"
1 12 GLU 19.790 0.908 3 8 "[**+ - ****]"
1 13 VAL 7.376 0.766 8 1 "[ . + 1]"
1 14 GLU 6.583 0.589 4 4 "[*-*+. 1]"
1 15 GLY 10.486 0.896 9 6 "[* ***-+1]"
1 16 ALA 6.584 0.688 8 2 "[ * + 1]"
1 17 VAL 7.596 0.640 2 3 "[-+ * 1]"
1 18 THR 22.118 1.620 8 8 "[***** +**]"
1 19 ALA 12.996 1.427 8 6 "[*** .* + -]"
1 20 LEU 33.035 1.816 9 10 [-*******+*]
1 21 LEU 20.226 1.816 9 6 "[ * *-* +*]"
1 22 PRO 6.205 0.693 10 4 "[* -. * +]"
1 23 ALA 10.517 1.541 9 6 "[ * *-* +*]"
1 24 ALA 4.308 0.693 10 4 "[* -. * +]"
1 25 GLU 16.848 1.064 6 10 [*****+*-**]
1 26 PHE 4.306 0.581 1 1 "[+ . 1]"
1 27 ARG 22.982 0.847 5 9 "[*-**+*** *]"
1 28 VAL 14.867 0.993 9 5 "[ * .**-+1]"
1 29 LYS 19.921 0.993 9 10 [*-******+*]
1 30 LEU 9.884 0.976 9 8 "[*-*** *+*]"
1 31 ASP 0.318 0.094 10 0 "[ . 1]"
1 32 ASN 1.958 0.203 6 0 "[ . 1]"
1 33 GLU 4.847 0.734 3 3 "[- + . * 1]"
1 34 HIS 0.000 0.000 . 0 "[ . 1]"
1 35 GLU 4.514 0.815 2 2 "[ + .- 1]"
1 36 ILE 2.756 0.567 3 2 "[ + . - 1]"
1 37 ILE 6.013 0.567 3 2 "[ + . - 1]"
1 38 CYS 18.443 1.235 2 9 "[ +********]"
1 39 HIS 7.724 0.854 4 5 "[ +* *-*1]"
1 40 VAL 12.573 1.635 4 4 "[* *+.- 1]"
1 41 SER 11.671 1.532 8 7 "[ * ***+-*]"
1 42 GLY 1.400 0.387 1 0 "[ . 1]"
1 43 LYS 4.875 1.061 10 3 "[ -*. +]"
1 44 VAL 14.875 1.033 3 5 "[ *+ .* * -]"
1 45 ARG 21.759 1.635 4 7 "[**-+.** *1]"
1 46 ARG 21.352 1.324 6 9 [**-**+***1]
1 47 SER 11.736 1.061 10 5 "[- **. *+]"
1 48 LYS 17.476 0.576 2 4 "[ +- . **]"
1 49 ILE 15.308 1.351 10 5 "[* - **+]"
1 50 ARG 38.597 1.985 6 10 [*****+**-*]
1 51 ILE 15.653 0.883 6 5 "[ * .+ *-*]"
1 52 ILE 11.909 1.210 9 5 "[** .-* +1]"
1 53 ILE 33.333 1.620 8 8 "[*** ** +*-]"
1 54 GLY 2.270 0.544 5 1 "[ + 1]"
1 55 ASP 1.751 0.266 1 0 "[ . 1]"
1 56 ARG 18.475 1.242 2 9 "[*+* ***-**]"
1 57 VAL 0.280 0.220 8 0 "[ . 1]"
1 58 LEU 14.715 1.182 6 7 "[*-**.+ **1]"
1 59 VAL 5.192 0.766 8 4 "[** -. + 1]"
1 60 GLU 13.081 1.182 6 6 "[**-*.+ *1]"
1 61 MET 58.869 1.518 3 10 [**+*****-*]
1 62 SER 15.629 0.806 10 5 "[* - **+]"
1 63 ILE 4.317 0.806 10 1 "[ . +]"
1 64 TYR 17.824 0.707 1 3 "[+ - * 1]"
1 65 ASP 1.572 0.375 10 0 "[ . 1]"
1 66 ARG 3.856 0.679 8 1 "[ . + 1]"
1 67 ASN 1.308 0.255 7 0 "[ . 1]"
1 68 ALA 4.335 0.592 7 2 "[ - + 1]"
1 69 LYS 18.187 2.251 2 10 [*+******-*]
1 70 LYS 47.287 2.251 2 10 [*+*-******]
1 71 GLY 8.278 1.488 2 4 "[ + -* * 1]"
1 72 ARG 13.819 1.532 8 10 [***-***+**]
1 73 ILE 7.445 1.089 8 4 "[ * .* +-1]"
1 74 ILE 1.661 0.732 10 1 "[ . +]"
1 75 ARG 50.707 1.985 6 10 [*****+****]
1 76 ARG 7.896 1.038 10 6 "[ -*** * +]"
1 77 LEU 55.024 2.242 1 10 [+******-**]
1 78 LYS 44.503 2.230 7 8 "[* **.*+-**]"
1 79 GLY 0.000 0.000 . 0 "[ . 1]"
1 80 THR 10.127 2.242 1 6 "[+*- *** 1]"
1 81 SER 0.661 0.094 10 0 "[ . 1]"
1 82 ASP 8.525 1.422 8 4 "[*- .* + 1]"
1 83 ARG 16.678 1.207 6 8 "[ ***.+-***]"
1 84 THR 13.532 1.355 5 7 "[ -**+* **1]"
1 85 ILE 17.737 1.422 8 8 "[*-**** +*1]"
1 86 SER 1.515 1.226 3 1 "[ + . 1]"
1 87 LYS 3.389 1.226 3 1 "[ + . 1]"
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 1 MET H1 1 1 MET HG2 . . 5.500 4.120 2.949 4.636 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 1 MET HG3 . . 5.500 3.562 2.143 4.803 . 0 0 "[ . 1]" 1
3 1 1 MET H1 1 2 VAL H . . 3.420 3.896 2.420 4.619 1.199 6 6 "[ **+** -]" 1
4 1 1 MET HA 1 2 VAL H . . 3.550 2.938 2.131 3.588 0.038 1 0 "[ . 1]" 1
5 1 1 MET HB2 1 2 VAL H . . 3.870 3.459 1.850 4.281 0.411 8 0 "[ . 1]" 1
6 1 1 MET HB3 1 2 VAL H . . 3.870 2.536 1.784 3.737 . 0 0 "[ . 1]" 1
7 1 1 MET HG2 1 2 VAL H . . 5.500 3.495 1.399 4.368 . 0 0 "[ . 1]" 1
8 1 1 MET HG3 1 2 VAL H . . 5.500 4.268 2.764 5.089 . 0 0 "[ . 1]" 1
9 1 2 VAL H 1 2 VAL HB . . 3.640 3.251 2.560 3.707 0.067 7 0 "[ . 1]" 1
10 1 2 VAL H 1 2 VAL MG1 . . 4.740 3.022 2.025 3.956 . 0 0 "[ . 1]" 1
11 1 2 VAL H 1 2 VAL MG2 . . 4.740 2.302 1.880 3.801 . 0 0 "[ . 1]" 1
12 1 2 VAL H 1 3 LYS H . . 3.170 2.851 2.092 4.303 1.133 8 2 "[ - . + 1]" 1
13 1 2 VAL HA 1 2 VAL HB . . 3.010 2.707 2.450 3.027 0.017 10 0 "[ . 1]" 1
14 1 2 VAL HA 1 3 LYS H . . 3.350 3.127 2.150 3.565 0.215 4 0 "[ . 1]" 1
15 1 2 VAL HB 1 3 LYS H . . 4.280 3.814 2.588 4.464 0.184 3 0 "[ . 1]" 1
16 1 2 VAL MG1 1 3 LYS H . . 5.480 3.577 2.151 4.077 . 0 0 "[ . 1]" 1
17 1 2 VAL MG2 1 3 LYS H . . 5.480 3.071 1.801 4.336 . 0 0 "[ . 1]" 1
18 1 3 LYS H 1 3 LYS QD . . 3.810 3.841 2.840 4.546 0.736 5 1 "[ + 1]" 1
19 1 3 LYS H 1 3 LYS QE . . 5.500 4.714 3.568 5.772 0.272 8 0 "[ . 1]" 1
20 1 3 LYS H 1 3 LYS HG2 . . 4.810 2.830 1.812 3.630 . 0 0 "[ . 1]" 1
21 1 3 LYS H 1 3 LYS HG3 . . 4.810 4.071 3.428 4.675 . 0 0 "[ . 1]" 1
22 1 3 LYS H 1 4 ASP H . . 3.520 3.789 3.418 3.993 0.473 6 0 "[ . 1]" 1
23 1 3 LYS HA 1 3 LYS QD . . 3.160 2.210 1.713 3.447 0.287 5 0 "[ . 1]" 1
24 1 3 LYS HA 1 3 LYS QE . . 4.240 3.874 1.951 4.505 0.265 10 0 "[ . 1]" 1
25 1 3 LYS HA 1 3 LYS HG2 . . 3.960 3.064 2.746 3.442 . 0 0 "[ . 1]" 1
26 1 3 LYS HA 1 3 LYS HG3 . . 3.960 3.793 3.627 4.005 0.045 10 0 "[ . 1]" 1
27 1 3 LYS HA 1 4 ASP H . . 3.160 2.276 2.147 2.441 . 0 0 "[ . 1]" 1
28 1 3 LYS HB2 1 3 LYS QE . . 4.800 4.241 3.682 4.531 . 0 0 "[ . 1]" 1
29 1 3 LYS HB2 1 4 ASP H . . 5.500 4.445 4.289 4.550 . 0 0 "[ . 1]" 1
30 1 3 LYS HB3 1 3 LYS QE . . 4.800 3.842 2.591 4.086 . 0 0 "[ . 1]" 1
31 1 3 LYS HB3 1 4 ASP H . . 5.500 4.045 3.730 4.370 . 0 0 "[ . 1]" 1
32 1 3 LYS QD 1 4 ASP H . . 4.220 4.134 3.580 5.326 1.106 5 1 "[ + 1]" 1
33 1 3 LYS QE 1 3 LYS HG2 . . 3.440 2.467 2.342 2.834 . 0 0 "[ . 1]" 1
34 1 3 LYS HG2 1 4 ASP H . . 5.500 5.095 4.897 5.250 . 0 0 "[ . 1]" 1
35 1 3 LYS QE 1 3 LYS HG3 . . 3.440 2.521 2.345 3.310 . 0 0 "[ . 1]" 1
36 1 3 LYS HG3 1 4 ASP H . . 5.710 5.845 5.655 5.987 0.277 1 0 "[ . 1]" 1
37 1 4 ASP H 1 4 ASP QB . . 3.590 2.694 2.377 3.308 . 0 0 "[ . 1]" 1
38 1 4 ASP H 1 5 GLU H . . 2.950 2.183 1.556 2.623 . 0 0 "[ . 1]" 1
39 1 4 ASP HA 1 5 GLU H . . 3.420 3.527 3.413 3.582 0.162 2 0 "[ . 1]" 1
40 1 4 ASP QB 1 5 GLU H . . 2.390 2.369 1.765 3.661 1.271 8 1 "[ . + 1]" 1
41 1 5 GLU H 1 5 GLU QB . . 2.400 2.388 2.170 2.846 0.446 2 0 "[ . 1]" 1
42 1 5 GLU H 1 5 GLU HG2 . . 4.620 3.724 2.202 4.612 . 0 0 "[ . 1]" 1
43 1 5 GLU H 1 5 GLU HG3 . . 4.620 3.598 1.650 4.469 . 0 0 "[ . 1]" 1
44 1 5 GLU H 1 6 LYS H . . 3.230 2.676 2.310 2.876 . 0 0 "[ . 1]" 1
45 1 5 GLU HA 1 5 GLU HG2 . . 3.570 3.433 2.607 3.820 0.250 8 0 "[ . 1]" 1
46 1 5 GLU HA 1 5 GLU HG3 . . 3.360 3.018 2.472 3.730 0.370 6 0 "[ . 1]" 1
47 1 5 GLU HA 1 6 LYS H . . 3.570 3.518 3.466 3.564 . 0 0 "[ . 1]" 1
48 1 5 GLU QB 1 5 GLU HG2 . . 2.780 2.228 2.141 2.409 . 0 0 "[ . 1]" 1
49 1 5 GLU QB 1 5 GLU HG3 . . 2.790 2.336 2.150 2.463 . 0 0 "[ . 1]" 1
50 1 5 GLU QB 1 6 LYS H . . 2.400 2.537 2.037 2.943 0.543 4 2 "[ - +. 1]" 1
51 1 6 LYS H 1 6 LYS HB2 . . 2.730 2.454 2.325 2.561 . 0 0 "[ . 1]" 1
52 1 6 LYS H 1 6 LYS HB3 . . 3.530 3.581 2.902 3.725 0.195 3 0 "[ . 1]" 1
53 1 6 LYS H 1 6 LYS QD . . 5.050 3.341 2.006 4.755 . 0 0 "[ . 1]" 1
54 1 6 LYS H 1 6 LYS HE2 . . 5.930 5.236 3.339 6.380 0.450 4 0 "[ . 1]" 1
55 1 6 LYS H 1 6 LYS HE3 . . 5.910 5.049 4.369 6.524 0.614 4 1 "[ +. 1]" 1
56 1 6 LYS H 1 6 LYS QG . . 4.350 3.205 2.706 4.149 . 0 0 "[ . 1]" 1
57 1 6 LYS H 1 7 SER H . . 4.510 3.223 2.372 4.488 . 0 0 "[ . 1]" 1
58 1 6 LYS HA 1 6 LYS QD . . 3.580 3.299 1.711 4.036 0.456 1 0 "[ . 1]" 1
59 1 6 LYS HA 1 6 LYS HE2 . . 4.720 4.533 1.510 5.316 0.596 9 1 "[ . +1]" 1
60 1 6 LYS HA 1 6 LYS HE3 . . 5.120 4.602 2.512 5.433 0.313 8 0 "[ . 1]" 1
61 1 6 LYS HA 1 6 LYS QG . . 3.560 2.453 2.335 2.691 . 0 0 "[ . 1]" 1
62 1 6 LYS HB2 1 6 LYS QD . . 3.320 2.514 2.295 3.385 0.065 7 0 "[ . 1]" 1
63 1 6 LYS HB2 1 6 LYS HE2 . . 4.890 4.221 2.044 4.656 . 0 0 "[ . 1]" 1
64 1 6 LYS HB2 1 6 LYS HE3 . . 4.350 4.379 3.289 4.811 0.461 4 0 "[ . 1]" 1
65 1 6 LYS HB3 1 6 LYS QD . . 3.840 2.847 2.268 3.477 . 0 0 "[ . 1]" 1
66 1 6 LYS HB3 1 6 LYS HE2 . . 4.350 4.227 2.775 4.877 0.527 10 1 "[ . +]" 1
67 1 6 LYS HB3 1 6 LYS HE3 . . 4.900 4.645 3.911 5.497 0.597 4 1 "[ +. 1]" 1
68 1 6 LYS QD 1 6 LYS HE2 . . 2.650 2.350 2.308 2.411 . 0 0 "[ . 1]" 1
69 1 6 LYS QD 1 6 LYS HE3 . . 2.650 2.326 2.166 2.384 . 0 0 "[ . 1]" 1
70 1 6 LYS QD 1 7 SER H . . 4.490 4.911 4.216 5.806 1.316 8 4 "[ * .*-+ 1]" 1
71 1 6 LYS QD 1 6 LYS QG . . 2.400 2.075 2.015 2.092 . 0 0 "[ . 1]" 1
72 1 6 LYS HE2 1 6 LYS QG . . 3.880 2.485 2.285 2.881 . 0 0 "[ . 1]" 1
73 1 6 LYS HE3 1 6 LYS QG . . 3.880 2.502 2.313 3.316 . 0 0 "[ . 1]" 1
74 1 6 LYS QG 1 7 SER H . . 4.450 4.507 3.649 4.894 0.444 10 0 "[ . 1]" 1
75 1 7 SER H 1 7 SER HB2 . . 4.170 3.051 2.508 3.872 . 0 0 "[ . 1]" 1
76 1 7 SER H 1 7 SER HB3 . . 4.170 3.520 2.740 4.096 . 0 0 "[ . 1]" 1
77 1 7 SER H 1 8 LYS H . . 2.800 2.991 2.079 4.207 1.407 2 3 "[ + -. *1]" 1
78 1 7 SER HA 1 7 SER HB2 . . 2.800 2.877 2.516 3.034 0.234 6 0 "[ . 1]" 1
79 1 7 SER HA 1 7 SER HB3 . . 2.800 2.423 2.376 2.475 . 0 0 "[ . 1]" 1
80 1 7 SER HB2 1 8 LYS H . . 4.890 3.795 1.914 4.455 . 0 0 "[ . 1]" 1
81 1 7 SER HB3 1 8 LYS H . . 4.890 4.197 3.243 4.655 . 0 0 "[ . 1]" 1
82 1 8 LYS H 1 8 LYS QD . . 4.860 3.826 3.171 4.220 . 0 0 "[ . 1]" 1
83 1 8 LYS H 1 8 LYS QE . . 5.200 4.575 4.332 5.075 . 0 0 "[ . 1]" 1
84 1 8 LYS H 1 8 LYS HG2 . . 4.450 3.559 2.960 4.365 . 0 0 "[ . 1]" 1
85 1 8 LYS H 1 8 LYS HG3 . . 4.450 3.151 2.309 4.622 0.172 5 0 "[ . 1]" 1
86 1 8 LYS H 1 9 THR H . . 3.500 2.934 1.772 4.648 1.148 3 2 "[ + - 1]" 1
87 1 8 LYS HA 1 8 LYS QD . . 3.720 3.390 1.814 4.067 0.347 4 0 "[ . 1]" 1
88 1 8 LYS HA 1 8 LYS QE . . 4.270 4.343 3.697 4.632 0.362 1 0 "[ . 1]" 1
89 1 8 LYS HA 1 8 LYS HG2 . . 3.620 2.666 2.435 3.042 . 0 0 "[ . 1]" 1
90 1 8 LYS HA 1 8 LYS HG3 . . 3.620 3.203 2.796 3.831 0.211 7 0 "[ . 1]" 1
91 1 8 LYS HA 1 9 THR H . . 3.560 3.143 2.200 3.528 . 0 0 "[ . 1]" 1
92 1 8 LYS HB2 1 10 LEU H . . 6.040 5.724 4.822 6.298 0.258 5 0 "[ . 1]" 1
93 1 8 LYS HB2 1 8 LYS QD . . 3.610 2.645 2.292 3.300 . 0 0 "[ . 1]" 1
94 1 8 LYS HB3 1 10 LEU H . . 5.810 5.360 4.611 5.962 0.152 10 0 "[ . 1]" 1
95 1 8 LYS HB3 1 8 LYS QD . . 2.400 2.417 2.248 2.573 0.173 4 0 "[ . 1]" 1
96 1 8 LYS QD 1 9 THR H . . 5.500 4.544 3.071 5.418 . 0 0 "[ . 1]" 1
97 1 8 LYS QD 1 8 LYS HG2 . . 2.710 2.353 2.320 2.439 . 0 0 "[ . 1]" 1
98 1 8 LYS QE 1 8 LYS HG2 . . 2.740 2.418 2.365 2.484 . 0 0 "[ . 1]" 1
99 1 8 LYS HG2 1 9 THR H . . 5.400 5.024 4.484 5.244 . 0 0 "[ . 1]" 1
100 1 8 LYS QD 1 8 LYS HG3 . . 2.400 2.340 2.255 2.374 . 0 0 "[ . 1]" 1
101 1 8 LYS QE 1 8 LYS HG3 . . 2.740 2.455 2.300 3.186 0.446 7 0 "[ . 1]" 1
102 1 8 LYS HG3 1 9 THR H . . 5.710 4.592 4.204 5.830 0.120 7 0 "[ . 1]" 1
103 1 8 LYS QD 1 10 LEU QD . . 5.860 5.322 3.750 6.624 0.764 1 1 "[+ . 1]" 1
104 1 9 THR H 1 10 LEU H . . 4.160 4.100 3.688 4.534 0.374 5 0 "[ . 1]" 1
105 1 9 THR H 1 10 LEU QD . . 5.310 4.054 3.501 5.414 0.104 1 0 "[ . 1]" 1
106 1 9 THR H 1 9 THR HB . . 3.790 2.896 2.538 3.576 . 0 0 "[ . 1]" 1
107 1 9 THR HA 1 9 THR HB . . 2.560 2.893 2.544 3.030 0.470 10 0 "[ . 1]" 1
108 1 9 THR MG 1 10 LEU H . . 4.590 3.544 2.465 4.240 . 0 0 "[ . 1]" 1
109 1 10 LEU H 1 10 LEU QB . . 3.050 2.935 2.547 3.144 0.094 4 0 "[ . 1]" 1
110 1 10 LEU H 1 10 LEU HG . . 3.760 3.702 3.287 4.640 0.880 1 1 "[+ . 1]" 1
111 1 10 LEU H 1 10 LEU MD1 . . 4.790 4.099 2.488 4.661 . 0 0 "[ . 1]" 1
112 1 10 LEU H 1 10 LEU MD2 . . 4.790 2.292 1.708 4.443 . 0 0 "[ . 1]" 1
113 1 10 LEU H 1 11 PHE H . . 4.580 4.395 4.339 4.455 . 0 0 "[ . 1]" 1
114 1 10 LEU H 1 62 SER HA . . 5.800 5.151 4.537 5.930 0.130 10 0 "[ . 1]" 1
115 1 10 LEU HA 1 10 LEU HG . . 4.260 3.495 2.460 3.800 . 0 0 "[ . 1]" 1
116 1 10 LEU HA 1 10 LEU QB . . 2.640 2.203 2.160 2.382 . 0 0 "[ . 1]" 1
117 1 10 LEU HA 1 10 LEU QD . . 3.590 3.291 3.015 3.380 . 0 0 "[ . 1]" 1
118 1 10 LEU HA 1 11 PHE H . . 3.160 2.463 2.194 2.673 . 0 0 "[ . 1]" 1
119 1 10 LEU QB 1 11 PHE H . . 3.360 2.522 2.175 3.622 0.262 1 0 "[ . 1]" 1
120 1 10 LEU QB 1 61 MET HA . . 4.110 3.967 3.463 4.982 0.872 1 1 "[+ . 1]" 1
121 1 10 LEU HG 1 11 PHE H . . 4.890 3.151 2.455 4.206 . 0 0 "[ . 1]" 1
122 1 10 LEU HG 1 61 MET HA . . 4.840 4.998 3.342 5.923 1.083 9 4 "[ ** . - +1]" 1
123 1 10 LEU HG 1 61 MET QB . . 5.020 5.956 4.628 6.538 1.518 3 8 "[ *+*-****1]" 1
124 1 10 LEU HG 1 61 MET QG . . 5.590 5.841 4.785 6.288 0.698 5 3 "[ - + * 1]" 1
125 1 10 LEU QB 1 10 LEU HG . . 2.310 2.392 2.336 2.503 0.193 1 0 "[ . 1]" 1
126 1 10 LEU QB 1 61 MET QB . . 4.620 4.910 4.530 6.107 1.487 1 1 "[+ . 1]" 1
127 1 10 LEU MD1 1 11 PHE H . . 4.840 3.959 3.518 4.848 0.008 5 0 "[ . 1]" 1
128 1 10 LEU MD1 1 62 SER HA . . 5.140 4.065 3.113 4.763 . 0 0 "[ . 1]" 1
129 1 10 LEU MD2 1 11 PHE H . . 4.840 4.044 3.047 4.434 . 0 0 "[ . 1]" 1
130 1 10 LEU MD2 1 62 SER HA . . 4.950 4.719 4.181 5.131 0.181 10 0 "[ . 1]" 1
131 1 10 LEU QD 1 61 MET HA . . 4.060 3.163 2.333 3.968 . 0 0 "[ . 1]" 1
132 1 10 LEU QD 1 61 MET QB . . 3.660 4.418 3.884 5.022 1.362 3 6 "[ *+*.-* *1]" 1
133 1 10 LEU QD 1 62 SER HA . . 4.190 3.793 3.053 4.038 . 0 0 "[ . 1]" 1
134 1 10 LEU QD 1 62 SER QB . . 3.920 3.851 3.155 4.585 0.665 9 1 "[ . +1]" 1
135 1 11 PHE H 1 11 PHE HB2 . . 4.070 2.819 2.379 3.285 . 0 0 "[ . 1]" 1
136 1 11 PHE H 1 11 PHE HB3 . . 4.070 2.781 2.602 3.599 . 0 0 "[ . 1]" 1
137 1 11 PHE H 1 11 PHE HD1 . . 5.600 4.670 3.018 5.173 . 0 0 "[ . 1]" 1
138 1 11 PHE H 1 11 PHE HD2 . . 5.350 4.862 4.710 5.213 . 0 0 "[ . 1]" 1
139 1 11 PHE H 1 11 PHE QB . . 3.490 2.449 2.330 2.665 . 0 0 "[ . 1]" 1
140 1 11 PHE H 1 12 GLU H . . 4.560 4.371 4.114 4.483 . 0 0 "[ . 1]" 1
141 1 11 PHE H 1 61 MET H . . 4.980 3.479 3.182 3.972 . 0 0 "[ . 1]" 1
142 1 11 PHE H 1 61 MET HB2 . . 5.690 5.514 5.058 5.953 0.263 10 0 "[ . 1]" 1
143 1 11 PHE H 1 61 MET HB3 . . 6.180 5.906 5.637 6.497 0.317 2 0 "[ . 1]" 1
144 1 11 PHE H 1 62 SER HA . . 4.870 2.962 2.502 3.599 . 0 0 "[ . 1]" 1
145 1 11 PHE HA 1 11 PHE HD1 . . 4.410 2.520 1.930 2.931 . 0 0 "[ . 1]" 1
146 1 11 PHE HA 1 11 PHE HD2 . . 4.400 4.291 4.027 4.583 0.183 10 0 "[ . 1]" 1
147 1 11 PHE HA 1 11 PHE HE1 . . 5.920 4.637 4.321 4.853 . 0 0 "[ . 1]" 1
148 1 11 PHE HA 1 11 PHE HE2 . . 5.960 5.790 5.586 5.997 0.037 10 0 "[ . 1]" 1
149 1 11 PHE HA 1 11 PHE QB . . 2.580 2.412 2.360 2.464 . 0 0 "[ . 1]" 1
150 1 11 PHE HA 1 12 GLU H . . 2.870 2.156 2.111 2.255 . 0 0 "[ . 1]" 1
151 1 11 PHE HB2 1 11 PHE HD1 . . 3.510 2.682 2.439 3.186 . 0 0 "[ . 1]" 1
152 1 11 PHE HB2 1 11 PHE HD2 . . 3.580 3.445 3.010 3.641 0.061 5 0 "[ . 1]" 1
153 1 11 PHE HB2 1 11 PHE HE1 . . 5.310 4.806 4.674 5.107 . 0 0 "[ . 1]" 1
154 1 11 PHE HB2 1 11 PHE HE2 . . 5.360 5.269 4.997 5.401 0.041 5 0 "[ . 1]" 1
155 1 11 PHE HB2 1 12 GLU H . . 4.540 4.271 4.112 4.369 . 0 0 "[ . 1]" 1
156 1 11 PHE HB3 1 11 PHE HD1 . . 3.730 3.698 3.645 3.731 0.001 4 0 "[ . 1]" 1
157 1 11 PHE HB3 1 11 PHE HD2 . . 2.500 2.343 2.278 2.438 . 0 0 "[ . 1]" 1
158 1 11 PHE HB3 1 11 PHE HE1 . . 5.460 5.442 5.404 5.464 0.004 9 0 "[ . 1]" 1
159 1 11 PHE HB3 1 11 PHE HE2 . . 5.460 4.627 4.590 4.673 . 0 0 "[ . 1]" 1
160 1 11 PHE HB3 1 12 GLU H . . 4.030 3.983 3.382 4.268 0.238 2 0 "[ . 1]" 1
161 1 11 PHE HD1 1 12 GLU H . . 4.560 3.699 2.715 4.362 . 0 0 "[ . 1]" 1
162 1 11 PHE HD2 1 12 GLU H . . 4.560 4.448 3.390 5.468 0.908 3 2 "[ + . -]" 1
163 1 11 PHE QB 1 12 GLU H . . 3.580 3.650 3.273 3.815 0.235 2 0 "[ . 1]" 1
164 1 11 PHE QB 1 63 ILE MD . . 4.390 2.101 1.608 2.600 . 0 0 "[ . 1]" 1
165 1 12 GLU H 1 12 GLU HB2 . . 3.710 2.586 2.465 2.727 . 0 0 "[ . 1]" 1
166 1 12 GLU H 1 12 GLU HB3 . . 4.000 3.697 3.616 3.798 . 0 0 "[ . 1]" 1
167 1 12 GLU H 1 12 GLU HG2 . . 4.080 3.929 3.740 4.128 0.048 9 0 "[ . 1]" 1
168 1 12 GLU H 1 12 GLU HG3 . . 4.080 2.626 2.443 2.868 . 0 0 "[ . 1]" 1
169 1 12 GLU H 1 12 GLU QB . . 3.120 2.538 2.426 2.657 . 0 0 "[ . 1]" 1
170 1 12 GLU H 1 13 VAL H . . 4.260 4.306 4.038 4.561 0.301 2 0 "[ . 1]" 1
171 1 12 GLU H 1 13 VAL QG . . 4.890 4.240 3.064 5.166 0.276 2 0 "[ . 1]" 1
172 1 12 GLU HA 1 12 GLU HG2 . . 4.150 2.893 2.605 3.698 . 0 0 "[ . 1]" 1
173 1 12 GLU HA 1 12 GLU HG3 . . 4.150 2.882 2.671 3.067 . 0 0 "[ . 1]" 1
174 1 12 GLU HA 1 13 VAL H . . 2.980 2.165 2.123 2.245 . 0 0 "[ . 1]" 1
175 1 12 GLU HA 1 58 LEU MD1 . . 5.570 3.731 2.880 4.190 . 0 0 "[ . 1]" 1
176 1 12 GLU HA 1 58 LEU MD2 . . 6.150 4.994 4.484 5.515 . 0 0 "[ . 1]" 1
177 1 12 GLU HA 1 58 LEU QD . . 4.660 3.627 2.849 4.053 . 0 0 "[ . 1]" 1
178 1 12 GLU HA 1 59 VAL QG . . 5.370 4.052 3.621 4.551 . 0 0 "[ . 1]" 1
179 1 12 GLU HA 1 60 GLU HA . . 3.440 2.405 1.932 2.642 . 0 0 "[ . 1]" 1
180 1 12 GLU HA 1 61 MET H . . 4.000 3.478 3.236 3.833 . 0 0 "[ . 1]" 1
181 1 12 GLU HB2 1 13 VAL H . . 4.170 4.244 3.803 4.392 0.222 3 0 "[ . 1]" 1
182 1 12 GLU HB2 1 58 LEU MD1 . . 6.020 3.522 2.790 4.174 . 0 0 "[ . 1]" 1
183 1 12 GLU HB2 1 58 LEU MD2 . . 5.690 4.438 3.672 4.936 . 0 0 "[ . 1]" 1
184 1 12 GLU HB3 1 13 VAL H . . 4.170 3.527 3.050 3.783 . 0 0 "[ . 1]" 1
185 1 12 GLU HB3 1 58 LEU MD1 . . 4.820 2.457 1.800 3.074 . 0 0 "[ . 1]" 1
186 1 12 GLU HB3 1 58 LEU MD2 . . 5.590 3.290 2.504 3.784 . 0 0 "[ . 1]" 1
187 1 12 GLU HG2 1 13 VAL H . . 5.300 4.802 4.544 5.176 . 0 0 "[ . 1]" 1
188 1 12 GLU HG2 1 61 MET H . . 4.480 4.804 4.404 5.354 0.874 2 2 "[ +- . 1]" 1
189 1 12 GLU HG3 1 13 VAL H . . 5.380 4.961 4.696 5.134 . 0 0 "[ . 1]" 1
190 1 12 GLU HG3 1 61 MET H . . 4.480 4.640 3.913 5.181 0.701 8 2 "[ . -+ 1]" 1
191 1 12 GLU QB 1 12 GLU QG . . 2.210 2.068 2.019 2.087 . 0 0 "[ . 1]" 1
192 1 12 GLU QB 1 58 LEU QD . . 4.120 2.320 1.778 2.831 . 0 0 "[ . 1]" 1
193 1 12 GLU QB 1 61 MET H . . 4.830 5.217 4.715 5.379 0.549 3 3 "[ + . *-1]" 1
194 1 12 GLU QG 1 62 SER HA . . 6.130 6.554 6.244 6.711 0.581 1 3 "[+ - * 1]" 1
195 1 13 VAL H 1 13 VAL HB . . 4.170 3.299 2.582 3.887 . 0 0 "[ . 1]" 1
196 1 13 VAL H 1 13 VAL QG . . 4.210 2.293 1.998 2.568 . 0 0 "[ . 1]" 1
197 1 13 VAL H 1 14 GLU H . . 4.370 4.446 4.402 4.490 0.120 3 0 "[ . 1]" 1
198 1 13 VAL H 1 58 LEU HA . . 6.030 4.803 4.453 5.187 . 0 0 "[ . 1]" 1
199 1 13 VAL H 1 58 LEU QD . . 4.570 3.177 2.893 3.589 . 0 0 "[ . 1]" 1
200 1 13 VAL H 1 59 VAL H . . 4.340 3.346 3.104 3.725 . 0 0 "[ . 1]" 1
201 1 13 VAL H 1 60 GLU HA . . 4.730 3.605 3.049 4.032 . 0 0 "[ . 1]" 1
202 1 13 VAL H 1 60 GLU QB . . 5.570 5.083 4.186 5.655 0.085 9 0 "[ . 1]" 1
203 1 13 VAL H 1 60 GLU QG . . 5.680 5.094 4.298 5.865 0.185 2 0 "[ . 1]" 1
204 1 13 VAL H 1 61 MET H . . 5.640 4.474 3.942 5.108 . 0 0 "[ . 1]" 1
205 1 13 VAL HA 1 13 VAL HB . . 2.940 2.615 2.487 3.028 0.088 1 0 "[ . 1]" 1
206 1 13 VAL HA 1 14 GLU H . . 2.860 2.340 2.172 2.542 . 0 0 "[ . 1]" 1
207 1 13 VAL HB 1 14 GLU H . . 3.840 3.304 2.000 4.100 0.260 1 0 "[ . 1]" 1
208 1 13 VAL HB 1 59 VAL QG . . 4.700 3.646 1.880 4.191 . 0 0 "[ . 1]" 1
209 1 13 VAL MG1 1 14 GLU H . . 4.740 3.210 2.301 3.639 . 0 0 "[ . 1]" 1
210 1 13 VAL MG2 1 14 GLU H . . 4.740 2.964 1.794 3.967 . 0 0 "[ . 1]" 1
211 1 13 VAL QG 1 14 GLU H . . 4.100 2.482 1.786 3.284 . 0 0 "[ . 1]" 1
212 1 13 VAL QG 1 30 LEU HA . . 5.190 4.625 3.868 5.497 0.307 7 0 "[ . 1]" 1
213 1 13 VAL QG 1 30 LEU QB . . 4.330 3.703 3.031 4.255 . 0 0 "[ . 1]" 1
214 1 13 VAL QG 1 30 LEU QD . . 4.380 2.374 1.874 2.818 . 0 0 "[ . 1]" 1
215 1 13 VAL QG 1 58 LEU HA . . 6.110 4.734 4.493 4.994 . 0 0 "[ . 1]" 1
216 1 13 VAL QG 1 59 VAL HB . . 4.110 4.249 2.954 4.876 0.766 8 1 "[ . + 1]" 1
217 1 14 GLU H 1 14 GLU HB2 . . 4.070 2.539 2.358 2.660 . 0 0 "[ . 1]" 1
218 1 14 GLU H 1 14 GLU HB3 . . 4.070 3.664 3.600 3.780 . 0 0 "[ . 1]" 1
219 1 14 GLU H 1 14 GLU HG2 . . 3.940 3.490 2.205 3.960 0.020 3 0 "[ . 1]" 1
220 1 14 GLU H 1 14 GLU HG3 . . 3.940 2.788 2.220 3.718 . 0 0 "[ . 1]" 1
221 1 14 GLU H 1 15 GLY H . . 4.540 4.446 4.298 4.544 0.004 5 0 "[ . 1]" 1
222 1 14 GLU HA 1 14 GLU HG2 . . 4.190 2.733 2.460 3.167 . 0 0 "[ . 1]" 1
223 1 14 GLU HA 1 14 GLU HG3 . . 4.190 3.220 2.905 3.905 . 0 0 "[ . 1]" 1
224 1 14 GLU HA 1 58 LEU HA . . 3.670 2.482 2.124 2.842 . 0 0 "[ . 1]" 1
225 1 14 GLU HA 1 58 LEU MD1 . . 5.710 2.913 2.566 3.264 . 0 0 "[ . 1]" 1
226 1 14 GLU HA 1 58 LEU MD2 . . 4.980 5.354 5.133 5.569 0.589 4 3 "[- *+. 1]" 1
227 1 14 GLU HA 1 58 LEU QD . . 4.420 2.900 2.559 3.242 . 0 0 "[ . 1]" 1
228 1 14 GLU HA 1 59 VAL H . . 4.540 3.271 2.653 3.618 . 0 0 "[ . 1]" 1
229 1 14 GLU HB2 1 15 GLY H . . 4.310 4.022 3.534 4.356 0.046 1 0 "[ . 1]" 1
230 1 14 GLU HB3 1 15 GLY H . . 4.490 3.105 2.176 3.598 . 0 0 "[ . 1]" 1
231 1 14 GLU HG2 1 15 GLY H . . 5.330 4.529 3.711 5.159 . 0 0 "[ . 1]" 1
232 1 14 GLU HG2 1 59 VAL H . . 5.500 5.101 4.008 6.038 0.538 2 1 "[ + . 1]" 1
233 1 14 GLU HG3 1 15 GLY H . . 5.330 5.089 4.665 5.565 0.235 2 0 "[ . 1]" 1
234 1 14 GLU QB 1 58 LEU QD . . 4.030 3.861 3.573 4.350 0.320 4 0 "[ . 1]" 1
235 1 14 GLU QG 1 58 LEU QD . . 4.800 2.497 1.916 3.299 . 0 0 "[ . 1]" 1
236 1 15 GLY H 1 16 ALA H . . 4.340 4.348 4.216 4.473 0.133 6 0 "[ . 1]" 1
237 1 15 GLY H 1 56 ARG HA . . 4.430 4.752 4.378 5.151 0.721 1 2 "[+ . - 1]" 1
238 1 15 GLY H 1 56 ARG QB . . 4.960 4.301 3.568 4.596 . 0 0 "[ . 1]" 1
239 1 15 GLY H 1 57 VAL H . . 3.960 3.050 2.794 3.522 . 0 0 "[ . 1]" 1
240 1 15 GLY H 1 57 VAL QG . . 4.440 3.084 2.713 3.595 . 0 0 "[ . 1]" 1
241 1 15 GLY H 1 58 LEU HA . . 4.970 3.517 3.142 4.186 . 0 0 "[ . 1]" 1
242 1 15 GLY H 1 58 LEU QD . . 5.560 4.518 4.073 4.943 . 0 0 "[ . 1]" 1
243 1 15 GLY H 1 59 VAL H . . 6.010 4.099 3.757 5.037 . 0 0 "[ . 1]" 1
244 1 15 GLY QA 1 16 ALA H . . 3.340 2.255 2.143 2.301 . 0 0 "[ . 1]" 1
245 1 15 GLY QA 1 30 LEU HA . . 3.060 2.949 2.230 3.547 0.487 2 0 "[ . 1]" 1
246 1 15 GLY QA 1 30 LEU QD . . 4.680 3.112 2.285 3.478 . 0 0 "[ . 1]" 1
247 1 15 GLY QA 1 29 LYS QD . . 5.080 5.142 4.648 5.825 0.745 9 2 "[ - +1]" 1
248 1 15 GLY QA 1 56 ARG QB . . 4.590 4.830 3.493 5.486 0.896 9 4 "[ **- +1]" 1
249 1 16 ALA H 1 17 VAL H . . 4.610 4.354 4.215 4.586 . 0 0 "[ . 1]" 1
250 1 16 ALA H 1 28 VAL HB . . 5.760 3.282 2.358 4.391 . 0 0 "[ . 1]" 1
251 1 16 ALA H 1 28 VAL MG2 . . 5.250 4.173 3.391 5.375 0.125 8 0 "[ . 1]" 1
252 1 16 ALA H 1 28 VAL QG . . 4.170 3.834 3.164 4.679 0.509 8 1 "[ . + 1]" 1
253 1 16 ALA H 1 29 LYS H . . 4.370 3.207 2.853 4.014 . 0 0 "[ . 1]" 1
254 1 16 ALA H 1 30 LEU HA . . 4.000 3.985 3.192 4.688 0.688 8 1 "[ . + 1]" 1
255 1 16 ALA HA 1 17 VAL H . . 3.080 2.176 2.138 2.285 . 0 0 "[ . 1]" 1
256 1 16 ALA HA 1 28 VAL MG2 . . 5.250 5.258 4.973 5.685 0.435 9 0 "[ . 1]" 1
257 1 16 ALA HA 1 28 VAL QG . . 4.340 4.057 3.748 4.434 0.094 9 0 "[ . 1]" 1
258 1 16 ALA HA 1 56 ARG HA . . 3.350 2.367 1.778 3.048 . 0 0 "[ . 1]" 1
259 1 16 ALA HA 1 56 ARG QB . . 4.620 4.192 3.077 4.949 0.329 9 0 "[ . 1]" 1
260 1 16 ALA HA 1 56 ARG QD . . 4.450 3.286 2.502 5.117 0.667 8 1 "[ . + 1]" 1
261 1 16 ALA HA 1 57 VAL H . . 3.940 2.961 2.141 3.359 . 0 0 "[ . 1]" 1
262 1 16 ALA MB 1 17 VAL H . . 4.380 3.014 2.634 3.183 . 0 0 "[ . 1]" 1
263 1 16 ALA MB 1 28 VAL HB . . 5.890 4.437 4.015 4.850 . 0 0 "[ . 1]" 1
264 1 16 ALA MB 1 54 GLY HA2 . . 4.990 4.621 4.293 5.077 0.087 5 0 "[ . 1]" 1
265 1 16 ALA MB 1 54 GLY HA3 . . 5.950 5.967 5.586 6.494 0.544 5 1 "[ + 1]" 1
266 1 16 ALA MB 1 56 ARG HA . . 4.360 3.119 2.124 3.968 . 0 0 "[ . 1]" 1
267 1 16 ALA MB 1 56 ARG QD . . 4.320 2.542 1.665 3.762 . 0 0 "[ . 1]" 1
268 1 16 ALA MB 1 57 VAL H . . 5.060 4.233 3.600 4.659 . 0 0 "[ . 1]" 1
269 1 17 VAL H 1 17 VAL HB . . 3.300 2.690 2.577 2.766 . 0 0 "[ . 1]" 1
270 1 17 VAL H 1 17 VAL QG . . 3.890 1.903 1.820 1.992 . 0 0 "[ . 1]" 1
271 1 17 VAL H 1 18 THR H . . 4.750 4.550 4.411 4.642 . 0 0 "[ . 1]" 1
272 1 17 VAL H 1 55 ASP H . . 4.780 4.213 3.440 4.852 0.072 1 0 "[ . 1]" 1
273 1 17 VAL H 1 55 ASP QB . . 5.460 4.996 4.510 5.434 . 0 0 "[ . 1]" 1
274 1 17 VAL H 1 56 ARG HA . . 4.030 3.698 3.346 4.101 0.071 9 0 "[ . 1]" 1
275 1 17 VAL H 1 56 ARG QB . . 6.150 5.575 4.849 5.995 . 0 0 "[ . 1]" 1
276 1 17 VAL H 1 57 VAL QG . . 4.790 2.740 2.307 3.142 . 0 0 "[ . 1]" 1
277 1 17 VAL HA 1 27 ARG HB3 . . 5.620 5.933 5.514 6.260 0.640 2 3 "[-+ * 1]" 1
278 1 17 VAL HA 1 29 LYS H . . 4.560 3.675 3.367 4.076 . 0 0 "[ . 1]" 1
279 1 17 VAL HB 1 18 THR H . . 5.270 4.146 4.068 4.294 . 0 0 "[ . 1]" 1
280 1 17 VAL HB 1 51 ILE MG . . 4.570 3.645 3.251 4.008 . 0 0 "[ . 1]" 1
281 1 17 VAL HB 1 53 ILE HA . . 4.320 4.440 4.191 4.614 0.294 7 0 "[ . 1]" 1
282 1 17 VAL QG 1 18 THR H . . 5.040 2.563 2.317 2.922 . 0 0 "[ . 1]" 1
283 1 17 VAL QG 1 53 ILE HA . . 3.750 1.890 1.706 2.108 . 0 0 "[ . 1]" 1
284 1 17 VAL QG 1 53 ILE HB . . 3.880 4.086 3.890 4.240 0.360 2 0 "[ . 1]" 1
285 1 17 VAL QG 1 19 ALA HA . . 3.770 3.621 3.360 3.978 0.208 6 0 "[ . 1]" 1
286 1 17 VAL QG 1 19 ALA H . . 4.080 2.608 2.315 2.805 . 0 0 "[ . 1]" 1
287 1 17 VAL QG 1 19 ALA MB . . 4.880 4.180 3.994 4.372 . 0 0 "[ . 1]" 1
288 1 17 VAL QG 1 20 LEU HA . . 4.800 4.275 3.855 4.773 . 0 0 "[ . 1]" 1
289 1 17 VAL QG 1 20 LEU QB . . 4.700 3.486 3.097 3.858 . 0 0 "[ . 1]" 1
290 1 17 VAL QG 1 27 ARG H . . 4.650 3.112 2.505 3.502 . 0 0 "[ . 1]" 1
291 1 17 VAL QG 1 29 LYS H . . 5.680 4.948 4.625 5.266 . 0 0 "[ . 1]" 1
292 1 17 VAL QG 1 53 ILE MD . . 4.410 3.448 1.975 3.917 . 0 0 "[ . 1]" 1
293 1 17 VAL QG 1 53 ILE MG . . 4.410 2.482 2.179 2.708 . 0 0 "[ . 1]" 1
294 1 17 VAL QG 1 55 ASP HA . . 4.990 4.570 4.156 5.256 0.266 1 0 "[ . 1]" 1
295 1 18 THR H 1 18 THR HB . . 3.630 2.844 2.546 3.128 . 0 0 "[ . 1]" 1
296 1 18 THR H 1 19 ALA H . . 3.070 2.095 1.867 2.303 . 0 0 "[ . 1]" 1
297 1 18 THR H 1 27 ARG H . . 4.470 4.303 4.025 4.616 0.146 2 0 "[ . 1]" 1
298 1 18 THR H 1 27 ARG HB2 . . 5.830 4.667 4.071 5.503 . 0 0 "[ . 1]" 1
299 1 18 THR H 1 28 VAL HA . . 4.340 2.469 2.205 2.793 . 0 0 "[ . 1]" 1
300 1 18 THR H 1 29 LYS H . . 4.550 4.020 3.637 4.516 . 0 0 "[ . 1]" 1
301 1 18 THR HA 1 18 THR HB . . 2.820 2.651 2.448 3.020 0.200 5 0 "[ . 1]" 1
302 1 18 THR HA 1 28 VAL QG . . 5.450 5.416 5.068 5.620 0.170 3 0 "[ . 1]" 1
303 1 18 THR HA 1 53 ILE MG . . 3.810 3.547 2.671 4.514 0.704 10 2 "[ . - +]" 1
304 1 18 THR HB 1 19 ALA H . . 4.330 3.571 2.420 4.236 . 0 0 "[ . 1]" 1
305 1 18 THR HB 1 29 LYS H . . 5.180 4.282 3.248 5.559 0.379 4 0 "[ . 1]" 1
306 1 18 THR HB 1 53 ILE MG . . 4.720 5.528 4.744 6.340 1.620 8 7 "[*** * +-*]" 1
307 1 18 THR MG 1 19 ALA H . . 4.940 2.801 2.279 3.778 . 0 0 "[ . 1]" 1
308 1 18 THR MG 1 27 ARG H . . 5.600 4.927 4.133 6.387 0.787 10 2 "[ -. +]" 1
309 1 18 THR MG 1 28 VAL HA . . 4.660 3.645 2.908 4.995 0.335 4 0 "[ . 1]" 1
310 1 18 THR MG 1 29 LYS H . . 4.370 4.198 3.585 5.320 0.950 4 3 "[ +* -]" 1
311 1 18 THR MG 1 29 LYS QD . . 4.700 2.899 2.329 3.287 . 0 0 "[ . 1]" 1
312 1 18 THR MG 1 29 LYS QB . . 5.310 3.503 2.486 4.826 . 0 0 "[ . 1]" 1
313 1 18 THR MG 1 53 ILE MD . . 5.350 5.669 4.896 6.530 1.180 10 3 "[ *- . +]" 1
314 1 18 THR MG 1 53 ILE MG . . 4.780 4.847 4.084 5.544 0.764 8 2 "[ . + -]" 1
315 1 19 ALA H 1 20 LEU H . . 4.370 4.349 4.313 4.378 0.008 4 0 "[ . 1]" 1
316 1 19 ALA H 1 26 PHE HA . . 5.610 5.243 4.863 5.437 . 0 0 "[ . 1]" 1
317 1 19 ALA H 1 27 ARG H . . 3.550 3.428 3.125 3.663 0.113 2 0 "[ . 1]" 1
318 1 19 ALA H 1 28 VAL HA . . 4.920 4.198 3.978 4.481 . 0 0 "[ . 1]" 1
319 1 19 ALA H 1 28 VAL MG1 . . 5.520 4.533 4.102 4.966 . 0 0 "[ . 1]" 1
320 1 19 ALA H 1 28 VAL MG2 . . 6.400 6.309 6.131 6.490 0.090 4 0 "[ . 1]" 1
321 1 19 ALA H 1 28 VAL QG . . 4.470 4.433 4.046 4.816 0.346 3 0 "[ . 1]" 1
322 1 19 ALA HA 1 53 ILE HA . . 5.420 5.769 5.057 6.363 0.943 3 4 "[* + . * -]" 1
323 1 19 ALA HA 1 53 ILE HB . . 5.100 5.842 5.162 6.527 1.427 8 5 "[ ** .- + *]" 1
324 1 19 ALA MB 1 20 LEU H . . 4.150 2.337 2.260 2.515 . 0 0 "[ . 1]" 1
325 1 20 LEU H 1 20 LEU HA . . 2.920 2.926 2.905 2.946 0.026 1 0 "[ . 1]" 1
326 1 20 LEU H 1 20 LEU QB . . 3.680 3.018 2.824 3.153 . 0 0 "[ . 1]" 1
327 1 20 LEU H 1 20 LEU HG . . 3.680 3.275 2.280 3.536 . 0 0 "[ . 1]" 1
328 1 20 LEU H 1 20 LEU MD1 . . 4.550 4.115 3.119 4.323 . 0 0 "[ . 1]" 1
329 1 20 LEU H 1 20 LEU MD2 . . 4.550 1.986 1.710 3.845 . 0 0 "[ . 1]" 1
330 1 20 LEU H 1 21 LEU H . . 4.370 4.397 4.351 4.473 0.103 1 0 "[ . 1]" 1
331 1 20 LEU HA 1 20 LEU HG . . 3.520 3.711 3.692 3.735 0.215 6 0 "[ . 1]" 1
332 1 20 LEU HA 1 20 LEU MD1 . . 4.510 4.056 3.648 4.108 . 0 0 "[ . 1]" 1
333 1 20 LEU HA 1 20 LEU MD2 . . 4.510 3.632 3.556 4.077 . 0 0 "[ . 1]" 1
334 1 20 LEU HA 1 20 LEU QD . . 3.890 3.373 3.354 3.404 . 0 0 "[ . 1]" 1
335 1 20 LEU HA 1 21 LEU H . . 3.140 2.288 2.215 2.335 . 0 0 "[ . 1]" 1
336 1 20 LEU HA 1 21 LEU HA . . 5.170 4.385 4.337 4.424 . 0 0 "[ . 1]" 1
337 1 20 LEU HA 1 21 LEU QB . . 4.050 4.218 3.953 4.371 0.321 10 0 "[ . 1]" 1
338 1 20 LEU HA 1 25 GLU H . . 5.220 5.354 4.947 5.544 0.324 9 0 "[ . 1]" 1
339 1 20 LEU HA 1 26 PHE HA . . 3.500 2.211 1.996 2.480 . 0 0 "[ . 1]" 1
340 1 20 LEU HA 1 27 ARG H . . 4.680 2.961 2.601 3.327 . 0 0 "[ . 1]" 1
341 1 20 LEU QB 1 20 LEU HG . . 2.400 2.409 2.385 2.447 0.047 9 0 "[ . 1]" 1
342 1 20 LEU QB 1 21 LEU H . . 4.260 2.640 2.537 2.839 . 0 0 "[ . 1]" 1
343 1 20 LEU QB 1 21 LEU HA . . 4.870 4.548 4.386 4.667 . 0 0 "[ . 1]" 1
344 1 20 LEU QB 1 25 GLU H . . 3.680 4.552 4.302 4.744 1.064 6 10 [*****+***-] 1
345 1 20 LEU QB 1 27 ARG H . . 5.470 4.019 3.474 4.407 . 0 0 "[ . 1]" 1
346 1 20 LEU HG 1 21 LEU H . . 4.260 3.750 3.475 4.759 0.499 9 0 "[ . 1]" 1
347 1 20 LEU HG 1 21 LEU HA . . 4.100 4.063 3.666 5.348 1.248 9 1 "[ . +1]" 1
348 1 20 LEU HG 1 21 LEU QB . . 4.700 5.268 4.923 6.516 1.816 9 4 "[ .** +-]" 1
349 1 20 LEU QB 1 21 LEU QB . . 4.840 4.625 4.521 4.743 . 0 0 "[ . 1]" 1
350 1 20 LEU QB 1 23 ALA MB . . 6.580 6.535 6.509 6.625 0.045 8 0 "[ . 1]" 1
351 1 20 LEU MD1 1 21 LEU H . . 5.330 4.093 3.368 4.362 . 0 0 "[ . 1]" 1
352 1 20 LEU MD1 1 21 LEU HA . . 5.080 4.923 3.245 5.264 0.184 7 0 "[ . 1]" 1
353 1 20 LEU MD1 1 26 PHE HA . . 5.000 4.782 4.444 5.065 0.065 1 0 "[ . 1]" 1
354 1 20 LEU MD1 1 27 ARG H . . 5.870 6.002 5.451 6.362 0.492 1 0 "[ . 1]" 1
355 1 20 LEU MD2 1 21 LEU H . . 5.330 4.508 4.370 4.696 . 0 0 "[ . 1]" 1
356 1 20 LEU MD2 1 21 LEU HA . . 5.080 4.797 4.473 5.748 0.668 9 1 "[ . +1]" 1
357 1 20 LEU MD2 1 26 PHE HA . . 5.000 5.034 4.760 5.283 0.283 1 0 "[ . 1]" 1
358 1 20 LEU MD2 1 27 ARG H . . 5.470 5.460 5.049 5.810 0.340 1 0 "[ . 1]" 1
359 1 20 LEU QD 1 21 LEU QB . . 4.620 4.918 4.481 5.118 0.498 6 0 "[ . 1]" 1
360 1 20 LEU QD 1 26 PHE QB . . 4.430 4.710 4.453 5.011 0.581 1 1 "[+ . 1]" 1
361 1 21 LEU H 1 21 LEU HB2 . . 3.850 2.586 2.400 2.957 . 0 0 "[ . 1]" 1
362 1 21 LEU H 1 21 LEU HB3 . . 3.850 3.361 2.627 3.747 . 0 0 "[ . 1]" 1
363 1 21 LEU H 1 21 LEU HG . . 4.630 4.002 2.925 4.570 . 0 0 "[ . 1]" 1
364 1 21 LEU H 1 21 LEU QB . . 3.300 2.436 2.368 2.556 . 0 0 "[ . 1]" 1
365 1 21 LEU H 1 25 GLU H . . 4.540 3.423 3.014 3.583 . 0 0 "[ . 1]" 1
366 1 21 LEU H 1 26 PHE HA . . 3.880 3.187 2.719 3.731 . 0 0 "[ . 1]" 1
367 1 21 LEU H 1 26 PHE QB . . 5.340 5.104 4.763 5.497 0.157 1 0 "[ . 1]" 1
368 1 21 LEU HA 1 21 LEU HG . . 4.220 2.680 2.418 3.137 . 0 0 "[ . 1]" 1
369 1 21 LEU HA 1 23 ALA H . . 4.240 4.015 3.791 4.539 0.299 9 0 "[ . 1]" 1
370 1 21 LEU HG 1 23 ALA H . . 4.450 4.486 2.323 5.991 1.541 9 6 "[ * *-* +*]" 1
371 1 22 PRO HA 1 23 ALA H . . 3.320 3.116 2.607 3.482 0.162 6 0 "[ . 1]" 1
372 1 22 PRO HA 1 24 ALA H . . 4.080 3.337 3.097 3.592 . 0 0 "[ . 1]" 1
373 1 22 PRO HB2 1 23 ALA H . . 4.230 3.929 3.485 4.334 0.104 9 0 "[ . 1]" 1
374 1 22 PRO HB2 1 24 ALA H . . 5.290 5.040 4.709 5.413 0.123 2 0 "[ . 1]" 1
375 1 22 PRO HB3 1 23 ALA H . . 4.650 4.549 4.332 4.654 0.004 3 0 "[ . 1]" 1
376 1 22 PRO HB3 1 24 ALA H . . 5.680 5.348 4.968 5.795 0.115 2 0 "[ . 1]" 1
377 1 22 PRO HG2 1 23 ALA H . . 4.610 4.239 2.887 5.067 0.457 8 0 "[ . 1]" 1
378 1 22 PRO HG2 1 24 ALA H . . 5.900 6.081 5.235 6.593 0.693 10 4 "[* -. * +]" 1
379 1 22 PRO HG3 1 23 ALA H . . 5.100 4.954 4.322 5.600 0.500 9 0 "[ . 1]" 1
380 1 23 ALA H 1 24 ALA H . . 3.340 2.493 2.003 2.863 . 0 0 "[ . 1]" 1
381 1 23 ALA H 1 24 ALA HA . . 4.730 4.504 3.889 4.950 0.220 6 0 "[ . 1]" 1
382 1 23 ALA H 1 25 GLU H . . 4.670 2.931 2.455 3.580 . 0 0 "[ . 1]" 1
383 1 23 ALA HA 1 25 GLU QB . . 5.270 5.088 4.621 5.932 0.662 7 1 "[ . + 1]" 1
384 1 23 ALA MB 1 24 ALA H . . 4.380 3.559 3.455 3.616 . 0 0 "[ . 1]" 1
385 1 23 ALA MB 1 24 ALA HA . . 4.950 4.970 4.915 5.005 0.055 2 0 "[ . 1]" 1
386 1 23 ALA MB 1 25 GLU HB2 . . 4.590 3.144 2.628 4.700 0.110 7 0 "[ . 1]" 1
387 1 23 ALA MB 1 25 GLU HB3 . . 4.350 3.432 2.828 4.620 0.270 6 0 "[ . 1]" 1
388 1 24 ALA H 1 24 ALA HA . . 2.610 2.270 2.261 2.284 . 0 0 "[ . 1]" 1
389 1 24 ALA H 1 25 GLU H . . 3.280 2.584 2.495 2.657 . 0 0 "[ . 1]" 1
390 1 24 ALA HA 1 25 GLU H . . 3.200 2.935 2.793 3.064 . 0 0 "[ . 1]" 1
391 1 24 ALA MB 1 25 GLU H . . 4.630 3.596 3.530 3.636 . 0 0 "[ . 1]" 1
392 1 25 GLU H 1 25 GLU HB2 . . 3.940 2.917 2.507 3.846 . 0 0 "[ . 1]" 1
393 1 25 GLU H 1 25 GLU HB3 . . 3.630 2.759 2.466 3.693 0.063 6 0 "[ . 1]" 1
394 1 25 GLU H 1 25 GLU HG2 . . 4.230 4.200 2.322 4.677 0.447 5 0 "[ . 1]" 1
395 1 25 GLU H 1 25 GLU HG3 . . 4.740 4.298 2.911 4.676 . 0 0 "[ . 1]" 1
396 1 25 GLU H 1 26 PHE H . . 4.400 4.446 4.390 4.526 0.126 5 0 "[ . 1]" 1
397 1 25 GLU HA 1 25 GLU HG2 . . 3.940 3.193 2.454 3.762 . 0 0 "[ . 1]" 1
398 1 25 GLU HA 1 25 GLU HG3 . . 3.940 2.755 2.457 3.846 . 0 0 "[ . 1]" 1
399 1 25 GLU HA 1 26 PHE H . . 3.420 2.205 2.164 2.310 . 0 0 "[ . 1]" 1
400 1 25 GLU HA 1 39 HIS HA . . 4.170 3.078 2.473 3.434 . 0 0 "[ . 1]" 1
401 1 25 GLU HB2 1 26 PHE H . . 4.280 4.018 2.641 4.261 . 0 0 "[ . 1]" 1
402 1 25 GLU HB3 1 26 PHE H . . 4.280 3.908 3.050 4.098 . 0 0 "[ . 1]" 1
403 1 25 GLU HG2 1 26 PHE H . . 5.500 3.349 2.739 4.834 . 0 0 "[ . 1]" 1
404 1 25 GLU HG2 1 39 HIS HA . . 5.640 5.464 3.141 6.419 0.779 5 1 "[ + 1]" 1
405 1 25 GLU HG3 1 26 PHE H . . 5.500 3.235 2.522 5.035 . 0 0 "[ . 1]" 1
406 1 25 GLU HG3 1 39 HIS HA . . 4.730 4.723 3.958 5.355 0.625 7 2 "[ . +- 1]" 1
407 1 26 PHE H 1 26 PHE HB2 . . 4.150 2.625 2.467 2.735 . 0 0 "[ . 1]" 1
408 1 26 PHE H 1 26 PHE HB3 . . 4.150 3.761 3.656 3.834 . 0 0 "[ . 1]" 1
409 1 26 PHE H 1 26 PHE QD . . 4.230 2.843 2.382 3.136 . 0 0 "[ . 1]" 1
410 1 26 PHE H 1 26 PHE QE . . 5.500 4.812 4.528 4.999 . 0 0 "[ . 1]" 1
411 1 26 PHE H 1 27 ARG H . . 4.560 4.423 4.135 4.541 . 0 0 "[ . 1]" 1
412 1 26 PHE H 1 37 ILE MG . . 5.410 3.917 3.635 4.151 . 0 0 "[ . 1]" 1
413 1 26 PHE H 1 38 CYS H . . 4.960 3.238 2.915 3.578 . 0 0 "[ . 1]" 1
414 1 26 PHE H 1 38 CYS QB . . 4.240 3.332 2.623 4.044 . 0 0 "[ . 1]" 1
415 1 26 PHE H 1 39 HIS HA . . 5.060 3.294 2.694 3.779 . 0 0 "[ . 1]" 1
416 1 26 PHE HA 1 26 PHE QD . . 3.970 2.898 2.748 3.079 . 0 0 "[ . 1]" 1
417 1 26 PHE HA 1 26 PHE QE . . 5.850 4.671 4.620 4.725 . 0 0 "[ . 1]" 1
418 1 26 PHE HA 1 27 ARG H . . 2.400 2.302 2.146 2.411 0.011 7 0 "[ . 1]" 1
419 1 26 PHE HB2 1 27 ARG H . . 5.050 3.872 3.650 4.340 . 0 0 "[ . 1]" 1
420 1 26 PHE HB3 1 27 ARG H . . 5.050 2.829 2.479 3.630 . 0 0 "[ . 1]" 1
421 1 26 PHE QD 1 27 ARG H . . 5.180 3.947 3.675 4.361 . 0 0 "[ . 1]" 1
422 1 26 PHE QD 1 40 VAL H . . 5.110 3.948 3.040 4.982 . 0 0 "[ . 1]" 1
423 1 26 PHE QE 1 51 ILE H . . 5.710 4.994 4.297 5.746 0.036 7 0 "[ . 1]" 1
424 1 26 PHE QE 1 40 VAL H . . 5.290 3.919 2.801 5.147 . 0 0 "[ . 1]" 1
425 1 27 ARG H 1 27 ARG HA . . 2.900 2.934 2.920 2.944 0.044 8 0 "[ . 1]" 1
426 1 27 ARG H 1 27 ARG HB2 . . 4.130 2.626 2.524 2.696 . 0 0 "[ . 1]" 1
427 1 27 ARG H 1 27 ARG HB3 . . 4.130 3.669 3.197 3.812 . 0 0 "[ . 1]" 1
428 1 27 ARG H 1 27 ARG HD2 . . 5.500 4.934 4.329 5.447 . 0 0 "[ . 1]" 1
429 1 27 ARG H 1 27 ARG HD3 . . 5.810 5.228 4.058 5.496 . 0 0 "[ . 1]" 1
430 1 27 ARG H 1 28 VAL H . . 4.590 4.176 4.012 4.417 . 0 0 "[ . 1]" 1
431 1 27 ARG H 1 38 CYS QB . . 5.380 4.625 3.981 5.112 . 0 0 "[ . 1]" 1
432 1 27 ARG HA 1 27 ARG HD2 . . 4.590 4.512 3.389 4.863 0.273 1 0 "[ . 1]" 1
433 1 27 ARG HA 1 27 ARG HD3 . . 4.590 4.092 2.380 4.569 . 0 0 "[ . 1]" 1
434 1 27 ARG HA 1 27 ARG QG . . 3.950 2.314 2.165 2.463 . 0 0 "[ . 1]" 1
435 1 27 ARG HA 1 28 VAL H . . 3.130 2.104 2.060 2.157 . 0 0 "[ . 1]" 1
436 1 27 ARG HA 1 38 CYS H . . 5.340 3.069 2.763 3.369 . 0 0 "[ . 1]" 1
437 1 27 ARG HB2 1 38 CYS H . . 5.080 5.482 4.723 5.709 0.629 3 3 "[ -+ .* 1]" 1
438 1 27 ARG HB3 1 38 CYS H . . 5.270 5.397 4.964 5.882 0.612 10 1 "[ . +]" 1
439 1 27 ARG QG 1 28 VAL H . . 3.770 3.896 2.715 4.234 0.464 10 0 "[ . 1]" 1
440 1 27 ARG QG 1 38 CYS HA . . 5.910 6.035 5.860 6.383 0.473 10 0 "[ . 1]" 1
441 1 27 ARG QG 1 38 CYS QB . . 4.550 4.954 4.486 5.397 0.847 5 4 "[ +*-* 1]" 1
442 1 28 VAL H 1 28 VAL HB . . 4.030 3.786 3.700 3.895 . 0 0 "[ . 1]" 1
443 1 28 VAL H 1 28 VAL QG . . 4.160 2.081 1.964 2.255 . 0 0 "[ . 1]" 1
444 1 28 VAL H 1 29 LYS H . . 4.460 4.488 4.425 4.549 0.089 2 0 "[ . 1]" 1
445 1 28 VAL H 1 35 GLU QB . . 4.380 4.679 4.143 5.195 0.815 2 2 "[ + .- 1]" 1
446 1 28 VAL H 1 36 ILE H . . 4.650 3.399 3.150 3.831 . 0 0 "[ . 1]" 1
447 1 28 VAL H 1 38 CYS H . . 5.550 4.273 3.859 4.593 . 0 0 "[ . 1]" 1
448 1 28 VAL HA 1 29 LYS H . . 3.550 2.327 2.245 2.376 . 0 0 "[ . 1]" 1
449 1 28 VAL HA 1 57 VAL QG . . 5.420 4.490 4.131 5.051 . 0 0 "[ . 1]" 1
450 1 28 VAL HB 1 29 LYS H . . 2.550 2.697 2.585 2.846 0.296 7 0 "[ . 1]" 1
451 1 28 VAL HB 1 29 LYS HA . . 4.730 4.582 4.416 4.731 0.001 4 0 "[ . 1]" 1
452 1 28 VAL HB 1 29 LYS HB2 . . 6.310 6.238 6.154 6.354 0.044 2 0 "[ . 1]" 1
453 1 28 VAL HB 1 29 LYS HB3 . . 5.790 5.480 5.257 5.701 . 0 0 "[ . 1]" 1
454 1 28 VAL HB 1 29 LYS QD . . 4.010 4.327 3.720 5.003 0.993 9 3 "[ .-* +1]" 1
455 1 28 VAL MG1 1 29 LYS H . . 4.960 3.886 3.785 3.981 . 0 0 "[ . 1]" 1
456 1 28 VAL MG2 1 29 LYS H . . 4.960 3.454 3.237 3.616 . 0 0 "[ . 1]" 1
457 1 28 VAL QG 1 29 LYS H . . 4.200 3.227 3.103 3.335 . 0 0 "[ . 1]" 1
458 1 29 LYS H 1 29 LYS HA . . 2.950 2.937 2.928 2.941 . 0 0 "[ . 1]" 1
459 1 29 LYS H 1 29 LYS HB2 . . 3.810 3.835 3.761 3.914 0.104 7 0 "[ . 1]" 1
460 1 29 LYS H 1 29 LYS HB3 . . 3.560 2.960 2.745 3.122 . 0 0 "[ . 1]" 1
461 1 29 LYS H 1 29 LYS HE2 . . 5.500 4.186 3.740 5.084 . 0 0 "[ . 1]" 1
462 1 29 LYS H 1 29 LYS HE3 . . 5.500 4.910 4.472 5.290 . 0 0 "[ . 1]" 1
463 1 29 LYS H 1 29 LYS QD . . 2.920 2.041 1.471 2.798 . 0 0 "[ . 1]" 1
464 1 29 LYS H 1 30 LEU H . . 4.500 4.364 4.308 4.449 . 0 0 "[ . 1]" 1
465 1 29 LYS H 1 36 ILE H . . 6.060 5.005 4.633 5.386 . 0 0 "[ . 1]" 1
466 1 29 LYS HA 1 29 LYS HB2 . . 2.400 2.354 2.243 2.469 0.069 5 0 "[ . 1]" 1
467 1 29 LYS HA 1 29 LYS HB3 . . 2.400 2.551 2.396 2.728 0.328 6 0 "[ . 1]" 1
468 1 29 LYS HA 1 29 LYS QD . . 3.920 3.779 3.576 4.043 0.123 9 0 "[ . 1]" 1
469 1 29 LYS HA 1 29 LYS HE2 . . 5.900 5.800 5.659 6.076 0.176 9 0 "[ . 1]" 1
470 1 29 LYS HA 1 29 LYS HE3 . . 5.960 6.075 6.039 6.155 0.195 6 0 "[ . 1]" 1
471 1 29 LYS HA 1 34 HIS H . . 5.230 4.420 3.707 4.775 . 0 0 "[ . 1]" 1
472 1 29 LYS HB2 1 29 LYS QD . . 3.760 3.241 2.987 3.322 . 0 0 "[ . 1]" 1
473 1 29 LYS HB2 1 29 LYS HE2 . . 4.880 4.863 4.677 4.924 0.044 3 0 "[ . 1]" 1
474 1 29 LYS HB2 1 29 LYS HE3 . . 4.880 4.580 4.256 4.801 . 0 0 "[ . 1]" 1
475 1 29 LYS HB3 1 29 LYS QD . . 3.430 2.255 2.064 2.351 . 0 0 "[ . 1]" 1
476 1 29 LYS HB3 1 29 LYS HE2 . . 4.880 4.575 4.457 4.620 . 0 0 "[ . 1]" 1
477 1 29 LYS HB3 1 29 LYS HE3 . . 4.880 4.259 4.069 4.350 . 0 0 "[ . 1]" 1
478 1 29 LYS QD 1 29 LYS QE . . 2.190 2.087 2.083 2.090 . 0 0 "[ . 1]" 1
479 1 29 LYS QD 1 30 LEU H . . 4.330 4.908 4.360 5.306 0.976 9 8 "[*-*** *+*]" 1
480 1 29 LYS QD 1 34 HIS H . . 6.780 6.176 5.524 6.610 . 0 0 "[ . 1]" 1
481 1 30 LEU H 1 30 LEU HG . . 4.520 4.461 4.410 4.490 . 0 0 "[ . 1]" 1
482 1 30 LEU H 1 31 ASP H . . 4.580 4.608 4.539 4.674 0.094 10 0 "[ . 1]" 1
483 1 30 LEU H 1 34 HIS H . . 5.270 3.117 2.640 3.490 . 0 0 "[ . 1]" 1
484 1 30 LEU H 1 34 HIS QB . . 4.520 3.592 3.309 3.965 . 0 0 "[ . 1]" 1
485 1 30 LEU HA 1 30 LEU HG . . 3.800 3.099 3.001 3.214 . 0 0 "[ . 1]" 1
486 1 30 LEU HA 1 30 LEU QD . . 4.230 2.072 2.002 2.128 . 0 0 "[ . 1]" 1
487 1 30 LEU HA 1 31 ASP H . . 3.390 2.323 2.207 2.446 . 0 0 "[ . 1]" 1
488 1 30 LEU HG 1 33 GLU H . . 4.380 4.290 3.858 4.567 0.187 4 0 "[ . 1]" 1
489 1 30 LEU QD 1 31 ASP H . . 5.280 2.200 1.955 2.485 . 0 0 "[ . 1]" 1
490 1 31 ASP H 1 31 ASP HB2 . . 3.620 2.515 2.150 3.610 . 0 0 "[ . 1]" 1
491 1 31 ASP H 1 31 ASP HB3 . . 3.620 3.230 2.632 3.616 . 0 0 "[ . 1]" 1
492 1 31 ASP H 1 31 ASP QB . . 3.160 2.349 2.130 2.583 . 0 0 "[ . 1]" 1
493 1 31 ASP H 1 32 ASN H . . 4.410 2.655 2.572 2.722 . 0 0 "[ . 1]" 1
494 1 31 ASP H 1 33 GLU H . . 5.140 4.408 4.045 4.739 . 0 0 "[ . 1]" 1
495 1 32 ASN H 1 33 GLU H . . 3.950 2.671 2.364 2.972 . 0 0 "[ . 1]" 1
496 1 32 ASN HA 1 32 ASN HB2 . . 2.930 2.599 2.495 3.023 0.093 5 0 "[ . 1]" 1
497 1 32 ASN HA 1 32 ASN HB3 . . 2.930 2.972 2.512 3.033 0.103 10 0 "[ . 1]" 1
498 1 32 ASN HB2 1 33 GLU H . . 4.340 4.385 4.024 4.543 0.203 6 0 "[ . 1]" 1
499 1 32 ASN HB3 1 33 GLU H . . 4.340 3.950 3.618 4.420 0.080 5 0 "[ . 1]" 1
500 1 32 ASN QB 1 33 GLU H . . 3.760 3.662 3.444 3.856 0.096 6 0 "[ . 1]" 1
501 1 33 GLU H 1 33 GLU HB2 . . 3.900 3.426 3.108 3.680 . 0 0 "[ . 1]" 1
502 1 33 GLU H 1 33 GLU HB3 . . 3.900 3.976 3.614 4.103 0.203 7 0 "[ . 1]" 1
503 1 33 GLU H 1 33 GLU QG . . 3.650 3.302 2.861 4.384 0.734 3 3 "[- + . * 1]" 1
504 1 33 GLU H 1 34 HIS H . . 3.610 2.708 2.585 2.874 . 0 0 "[ . 1]" 1
505 1 33 GLU HA 1 33 GLU QG . . 3.280 2.516 2.257 2.875 . 0 0 "[ . 1]" 1
506 1 33 GLU QB 1 33 GLU QG . . 2.230 2.056 1.993 2.088 . 0 0 "[ . 1]" 1
507 1 35 GLU HA 1 35 GLU HG2 . . 4.100 3.018 2.434 4.215 0.115 2 0 "[ . 1]" 1
508 1 35 GLU HA 1 35 GLU HG3 . . 4.100 3.201 2.708 3.629 . 0 0 "[ . 1]" 1
509 1 35 GLU HA 1 36 ILE H . . 3.200 2.182 2.136 2.227 . 0 0 "[ . 1]" 1
510 1 35 GLU QB 1 36 ILE H . . 4.810 2.982 2.809 3.197 . 0 0 "[ . 1]" 1
511 1 35 GLU HG2 1 36 ILE H . . 5.120 4.667 4.124 5.454 0.334 1 0 "[ . 1]" 1
512 1 35 GLU HG3 1 36 ILE H . . 5.120 5.067 4.762 5.193 0.073 6 0 "[ . 1]" 1
513 1 36 ILE H 1 36 ILE HB . . 3.960 3.589 2.662 3.851 . 0 0 "[ . 1]" 1
514 1 36 ILE H 1 36 ILE QG . . 4.300 2.296 2.080 2.695 . 0 0 "[ . 1]" 1
515 1 36 ILE H 1 36 ILE MD . . 4.570 3.924 3.802 4.013 . 0 0 "[ . 1]" 1
516 1 36 ILE H 1 37 ILE H . . 4.530 4.424 4.380 4.475 . 0 0 "[ . 1]" 1
517 1 36 ILE HA 1 36 ILE QG . . 3.700 3.139 2.441 3.320 . 0 0 "[ . 1]" 1
518 1 36 ILE HA 1 36 ILE MD . . 4.210 4.123 3.849 4.196 . 0 0 "[ . 1]" 1
519 1 36 ILE HA 1 37 ILE H . . 3.250 2.318 2.175 2.476 . 0 0 "[ . 1]" 1
520 1 36 ILE HB 1 37 ILE H . . 3.520 2.808 2.178 4.087 0.567 3 2 "[ + . - 1]" 1
521 1 36 ILE QG 1 37 ILE H . . 4.220 3.816 3.484 4.143 . 0 0 "[ . 1]" 1
522 1 36 ILE MD 1 37 ILE H . . 4.680 4.515 4.055 5.046 0.366 3 0 "[ . 1]" 1
523 1 37 ILE H 1 37 ILE HB . . 3.860 2.527 2.382 2.659 . 0 0 "[ . 1]" 1
524 1 37 ILE H 1 37 ILE HG12 . . 4.280 3.686 3.382 4.132 . 0 0 "[ . 1]" 1
525 1 37 ILE H 1 37 ILE HG13 . . 3.900 2.656 2.120 3.766 . 0 0 "[ . 1]" 1
526 1 37 ILE H 1 37 ILE MD . . 5.720 3.173 1.876 3.841 . 0 0 "[ . 1]" 1
527 1 37 ILE H 1 37 ILE QG . . 3.390 2.575 2.099 3.492 0.102 2 0 "[ . 1]" 1
528 1 37 ILE H 1 37 ILE MG . . 4.730 3.788 3.727 3.853 . 0 0 "[ . 1]" 1
529 1 37 ILE H 1 38 CYS H . . 4.840 4.507 4.346 4.604 . 0 0 "[ . 1]" 1
530 1 37 ILE H 1 70 LYS H . . 5.680 5.586 4.908 6.100 0.420 4 0 "[ . 1]" 1
531 1 37 ILE H 1 70 LYS HA . . 4.420 3.669 2.875 4.200 . 0 0 "[ . 1]" 1
532 1 37 ILE HA 1 37 ILE HG12 . . 4.040 2.889 2.509 3.656 . 0 0 "[ . 1]" 1
533 1 37 ILE HA 1 37 ILE HG13 . . 4.040 2.866 2.354 3.159 . 0 0 "[ . 1]" 1
534 1 37 ILE HA 1 37 ILE MD . . 4.720 3.629 2.901 3.875 . 0 0 "[ . 1]" 1
535 1 37 ILE HB 1 37 ILE QG . . 2.600 2.392 2.365 2.457 . 0 0 "[ . 1]" 1
536 1 37 ILE HG12 1 38 CYS H . . 4.790 4.621 4.302 5.112 0.322 2 0 "[ . 1]" 1
537 1 37 ILE HG13 1 38 CYS H . . 4.790 4.813 4.093 5.124 0.334 4 0 "[ . 1]" 1
538 1 37 ILE QG 1 38 CYS H . . 4.240 4.128 3.937 4.293 0.053 4 0 "[ . 1]" 1
539 1 37 ILE MG 1 38 CYS H . . 4.400 2.522 2.144 3.057 . 0 0 "[ . 1]" 1
540 1 38 CYS H 1 38 CYS QB . . 3.690 2.629 2.485 2.793 . 0 0 "[ . 1]" 1
541 1 38 CYS H 1 39 HIS H . . 5.100 4.425 4.356 4.522 . 0 0 "[ . 1]" 1
542 1 38 CYS HA 1 39 HIS H . . 3.550 2.279 2.180 2.449 . 0 0 "[ . 1]" 1
543 1 38 CYS HA 1 70 LYS HB2 . . 5.270 3.874 2.789 4.766 . 0 0 "[ . 1]" 1
544 1 38 CYS HA 1 70 LYS HB3 . . 5.270 4.419 3.227 5.974 0.704 9 1 "[ . +1]" 1
545 1 38 CYS HA 1 70 LYS QD . . 4.900 4.853 3.287 6.135 1.235 2 3 "[ +*-. 1]" 1
546 1 38 CYS HB2 1 39 HIS H . . 4.530 3.812 3.430 3.990 . 0 0 "[ . 1]" 1
547 1 38 CYS HB3 1 39 HIS H . . 4.530 3.022 2.375 4.096 . 0 0 "[ . 1]" 1
548 1 38 CYS QB 1 39 HIS H . . 3.860 2.869 2.334 3.590 . 0 0 "[ . 1]" 1
549 1 39 HIS H 1 39 HIS HD1 . . 5.500 4.671 2.651 5.498 . 0 0 "[ . 1]" 1
550 1 39 HIS H 1 40 VAL H . . 4.900 4.337 4.138 4.408 . 0 0 "[ . 1]" 1
551 1 39 HIS H 1 70 LYS HA . . 4.900 5.068 4.586 5.511 0.611 9 3 "[ -. *+1]" 1
552 1 39 HIS H 1 71 GLY QA . . 4.390 4.499 4.184 5.244 0.854 4 1 "[ +. 1]" 1
553 1 39 HIS H 1 72 ARG H . . 5.500 5.197 4.720 6.064 0.564 4 1 "[ +. 1]" 1
554 1 39 HIS H 1 72 ARG HA . . 4.850 3.435 2.913 4.161 . 0 0 "[ . 1]" 1
555 1 39 HIS H 1 73 ILE H . . 4.710 3.529 3.087 4.213 . 0 0 "[ . 1]" 1
556 1 39 HIS HA 1 40 VAL H . . 3.360 2.366 2.176 2.508 . 0 0 "[ . 1]" 1
557 1 39 HIS HB2 1 40 VAL H . . 4.530 3.564 2.254 4.301 . 0 0 "[ . 1]" 1
558 1 39 HIS HB3 1 40 VAL H . . 4.450 3.472 2.488 4.157 . 0 0 "[ . 1]" 1
559 1 39 HIS QB 1 40 VAL H . . 3.530 2.911 2.234 3.764 0.234 4 0 "[ . 1]" 1
560 1 40 VAL H 1 40 VAL HB . . 3.740 3.628 3.614 3.651 . 0 0 "[ . 1]" 1
561 1 40 VAL H 1 41 SER H . . 4.880 4.496 4.396 4.614 . 0 0 "[ . 1]" 1
562 1 40 VAL HA 1 41 SER H . . 3.200 2.156 2.107 2.283 . 0 0 "[ . 1]" 1
563 1 40 VAL HA 1 44 VAL MG1 . . 4.780 3.082 2.352 4.401 . 0 0 "[ . 1]" 1
564 1 40 VAL HA 1 44 VAL MG2 . . 4.780 3.739 3.156 4.264 . 0 0 "[ . 1]" 1
565 1 40 VAL HA 1 44 VAL QG . . 3.780 2.809 2.336 3.428 . 0 0 "[ . 1]" 1
566 1 40 VAL HA 1 72 ARG HA . . 4.180 4.036 3.693 4.455 0.275 3 0 "[ . 1]" 1
567 1 40 VAL HA 1 72 ARG QB . . 5.710 4.328 3.680 5.101 . 0 0 "[ . 1]" 1
568 1 40 VAL HB 1 41 SER H . . 3.410 3.250 2.724 3.496 0.086 4 0 "[ . 1]" 1
569 1 40 VAL HB 1 44 VAL QG . . 4.010 2.813 2.275 3.770 . 0 0 "[ . 1]" 1
570 1 40 VAL HB 1 45 ARG HA . . 4.200 4.085 2.960 5.835 1.635 4 2 "[- +. 1]" 1
571 1 40 VAL HB 1 45 ARG QB . . 4.000 3.596 3.093 5.000 1.000 4 2 "[- +. 1]" 1
572 1 40 VAL QG 1 41 SER H . . 4.850 3.503 3.306 3.588 . 0 0 "[ . 1]" 1
573 1 40 VAL QG 1 45 ARG H . . 4.850 4.583 4.267 5.192 0.342 4 0 "[ . 1]" 1
574 1 40 VAL QG 1 45 ARG HA . . 4.060 4.055 3.264 5.466 1.406 4 3 "[* +.- 1]" 1
575 1 40 VAL QG 1 44 VAL H . . 5.540 5.339 4.935 5.988 0.448 3 0 "[ . 1]" 1
576 1 40 VAL QG 1 44 VAL HA . . 4.930 5.200 5.008 5.963 1.033 3 1 "[ + . 1]" 1
577 1 40 VAL QG 1 44 VAL HB . . 3.950 3.698 3.212 4.181 0.231 2 0 "[ . 1]" 1
578 1 40 VAL QG 1 44 VAL QG . . 4.620 2.253 1.914 3.142 . 0 0 "[ . 1]" 1
579 1 40 VAL QG 1 72 ARG QB . . 5.840 5.113 4.692 5.687 . 0 0 "[ . 1]" 1
580 1 41 SER H 1 41 SER HB2 . . 4.070 3.048 2.645 3.982 . 0 0 "[ . 1]" 1
581 1 41 SER H 1 41 SER HB3 . . 4.070 3.432 2.681 3.985 . 0 0 "[ . 1]" 1
582 1 41 SER H 1 42 GLY H . . 4.210 3.482 2.513 4.382 0.172 9 0 "[ . 1]" 1
583 1 41 SER H 1 44 VAL H . . 5.170 4.531 3.726 5.285 0.115 2 0 "[ . 1]" 1
584 1 41 SER H 1 44 VAL QG . . 4.630 2.899 2.571 3.513 . 0 0 "[ . 1]" 1
585 1 41 SER H 1 72 ARG H . . 5.760 6.383 6.034 6.612 0.852 7 6 "[ * *-+ **]" 1
586 1 41 SER H 1 72 ARG QB . . 4.310 3.363 2.959 3.835 . 0 0 "[ . 1]" 1
587 1 41 SER H 1 73 ILE H . . 4.510 4.348 3.878 5.033 0.523 9 1 "[ . +1]" 1
588 1 41 SER HB2 1 42 GLY H . . 5.500 3.833 2.796 4.634 . 0 0 "[ . 1]" 1
589 1 41 SER HB3 1 42 GLY H . . 5.500 3.448 1.915 4.640 . 0 0 "[ . 1]" 1
590 1 41 SER QB 1 72 ARG QD . . 4.340 3.581 2.036 5.872 1.532 8 1 "[ . + 1]" 1
591 1 41 SER QB 1 72 ARG QG . . 4.180 3.515 1.973 5.669 1.489 8 1 "[ . + 1]" 1
592 1 42 GLY H 1 44 VAL H . . 5.080 4.062 3.413 4.612 . 0 0 "[ . 1]" 1
593 1 42 GLY HA2 1 45 ARG H . . 4.650 4.475 4.031 5.037 0.387 1 0 "[ . 1]" 1
594 1 42 GLY HA3 1 45 ARG H . . 5.010 4.729 4.311 4.999 . 0 0 "[ . 1]" 1
595 1 42 GLY QA 1 45 ARG H . . 4.280 4.051 3.830 4.395 0.115 1 0 "[ . 1]" 1
596 1 43 LYS HA 1 43 LYS HD2 . . 4.680 4.792 4.713 4.845 0.165 10 0 "[ . 1]" 1
597 1 43 LYS HA 1 43 LYS HD3 . . 4.550 4.315 4.159 4.424 . 0 0 "[ . 1]" 1
598 1 43 LYS HA 1 43 LYS QE . . 4.920 4.423 4.364 4.490 . 0 0 "[ . 1]" 1
599 1 43 LYS HA 1 46 ARG H . . 4.150 3.444 2.972 4.141 . 0 0 "[ . 1]" 1
600 1 43 LYS HB2 1 43 LYS HD2 . . 3.850 3.669 3.599 3.707 . 0 0 "[ . 1]" 1
601 1 43 LYS HB2 1 43 LYS HD3 . . 3.530 2.454 2.354 2.514 . 0 0 "[ . 1]" 1
602 1 43 LYS HB2 1 43 LYS QE . . 3.250 2.860 2.668 2.980 . 0 0 "[ . 1]" 1
603 1 43 LYS HB2 1 44 VAL H . . 4.080 3.981 3.863 4.080 . 0 0 "[ . 1]" 1
604 1 43 LYS HB3 1 43 LYS HD2 . . 4.070 3.727 3.672 3.771 . 0 0 "[ . 1]" 1
605 1 43 LYS HB3 1 43 LYS HD3 . . 3.900 3.034 2.909 3.159 . 0 0 "[ . 1]" 1
606 1 43 LYS HB3 1 43 LYS QE . . 3.250 1.985 1.908 2.108 . 0 0 "[ . 1]" 1
607 1 43 LYS HB3 1 44 VAL H . . 4.080 2.846 2.578 3.129 . 0 0 "[ . 1]" 1
608 1 43 LYS HD2 1 43 LYS QE . . 2.760 2.340 2.295 2.381 . 0 0 "[ . 1]" 1
609 1 43 LYS HD3 1 43 LYS QE . . 2.420 2.354 2.313 2.399 . 0 0 "[ . 1]" 1
610 1 43 LYS QG 1 47 SER HA . . 4.440 4.798 4.264 5.501 1.061 10 3 "[ -*. +]" 1
611 1 44 VAL H 1 44 VAL HB . . 3.390 2.618 2.548 2.762 . 0 0 "[ . 1]" 1
612 1 44 VAL H 1 44 VAL MG1 . . 4.650 3.231 1.982 3.776 . 0 0 "[ . 1]" 1
613 1 44 VAL H 1 44 VAL MG2 . . 4.650 2.489 1.757 3.770 . 0 0 "[ . 1]" 1
614 1 44 VAL H 1 45 ARG H . . 3.690 2.759 2.646 2.833 . 0 0 "[ . 1]" 1
615 1 44 VAL H 1 46 ARG H . . 4.950 4.338 3.963 4.694 . 0 0 "[ . 1]" 1
616 1 44 VAL H 1 47 SER H . . 4.760 4.854 4.747 5.166 0.406 10 0 "[ . 1]" 1
617 1 44 VAL HA 1 47 SER H . . 4.510 3.682 3.457 3.958 . 0 0 "[ . 1]" 1
618 1 44 VAL HA 1 47 SER HA . . 6.100 5.728 5.469 6.284 0.184 6 0 "[ . 1]" 1
619 1 44 VAL HA 1 47 SER HB2 . . 4.730 4.368 3.542 5.197 0.467 6 0 "[ . 1]" 1
620 1 44 VAL HA 1 47 SER HB3 . . 3.810 3.306 2.658 4.413 0.603 3 1 "[ + . 1]" 1
621 1 44 VAL HB 1 45 ARG H . . 4.100 3.084 2.504 4.113 0.013 8 0 "[ . 1]" 1
622 1 44 VAL MG1 1 45 ARG H . . 5.670 3.162 2.071 3.789 . 0 0 "[ . 1]" 1
623 1 44 VAL MG1 1 51 ILE MG . . 5.270 5.608 4.996 6.153 0.883 6 4 "[ * .+ * -]" 1
624 1 44 VAL MG2 1 45 ARG H . . 5.670 3.721 3.495 3.879 . 0 0 "[ . 1]" 1
625 1 44 VAL MG2 1 51 ILE MG . . 6.120 5.899 4.749 6.570 0.450 10 0 "[ . 1]" 1
626 1 44 VAL QG 1 45 ARG H . . 4.620 2.935 2.056 3.348 . 0 0 "[ . 1]" 1
627 1 44 VAL QG 1 51 ILE MG . . 4.800 4.982 4.586 5.446 0.646 10 1 "[ . +]" 1
628 1 45 ARG H 1 45 ARG HB2 . . 3.600 2.429 2.207 2.949 . 0 0 "[ . 1]" 1
629 1 45 ARG H 1 45 ARG HB3 . . 3.600 2.619 2.289 2.855 . 0 0 "[ . 1]" 1
630 1 45 ARG H 1 45 ARG QD . . 5.500 4.298 3.790 4.585 . 0 0 "[ . 1]" 1
631 1 45 ARG H 1 45 ARG HG2 . . 4.600 4.359 4.184 4.465 . 0 0 "[ . 1]" 1
632 1 45 ARG H 1 45 ARG HG3 . . 4.600 4.562 4.500 4.720 0.120 6 0 "[ . 1]" 1
633 1 45 ARG H 1 46 ARG H . . 4.060 2.612 2.310 2.875 . 0 0 "[ . 1]" 1
634 1 45 ARG H 1 47 SER H . . 4.210 4.008 3.803 4.376 0.166 4 0 "[ . 1]" 1
635 1 45 ARG HA 1 45 ARG QD . . 3.970 3.175 2.695 3.835 . 0 0 "[ . 1]" 1
636 1 45 ARG HA 1 45 ARG HG2 . . 3.600 2.441 2.311 2.707 . 0 0 "[ . 1]" 1
637 1 45 ARG HA 1 45 ARG HG3 . . 3.600 3.631 3.568 3.686 0.086 8 0 "[ . 1]" 1
638 1 45 ARG HB2 1 45 ARG QD . . 3.890 3.290 3.160 3.492 . 0 0 "[ . 1]" 1
639 1 45 ARG HB2 1 46 ARG H . . 3.870 3.824 3.605 4.141 0.271 6 0 "[ . 1]" 1
640 1 45 ARG HB3 1 45 ARG QD . . 3.890 2.309 2.175 2.689 . 0 0 "[ . 1]" 1
641 1 45 ARG HB3 1 46 ARG H . . 3.870 2.681 2.458 2.934 . 0 0 "[ . 1]" 1
642 1 45 ARG QD 1 46 ARG H . . 3.220 3.484 2.916 3.808 0.588 7 2 "[ . + -1]" 1
643 1 45 ARG HG2 1 46 ARG H . . 4.360 4.746 4.149 4.982 0.622 9 4 "[-* . * +1]" 1
644 1 45 ARG HG3 1 46 ARG H . . 4.550 5.031 4.783 5.288 0.738 4 4 "[ *-+. * 1]" 1
645 1 46 ARG H 1 46 ARG HB2 . . 3.420 2.910 2.338 3.689 0.269 9 0 "[ . 1]" 1
646 1 46 ARG H 1 46 ARG HB3 . . 3.660 3.143 2.460 3.621 . 0 0 "[ . 1]" 1
647 1 46 ARG H 1 46 ARG QD . . 2.790 2.981 1.861 4.114 1.324 6 5 "[- **+ * 1]" 1
648 1 46 ARG H 1 46 ARG HG2 . . 4.910 3.358 1.767 4.610 . 0 0 "[ . 1]" 1
649 1 46 ARG H 1 46 ARG HG3 . . 4.910 3.587 2.296 4.473 . 0 0 "[ . 1]" 1
650 1 46 ARG H 1 47 SER H . . 3.860 2.456 2.356 2.641 . 0 0 "[ . 1]" 1
651 1 46 ARG HA 1 46 ARG HB2 . . 2.960 2.720 2.301 3.022 0.062 4 0 "[ . 1]" 1
652 1 46 ARG HA 1 46 ARG HB3 . . 2.960 2.561 2.305 3.026 0.066 6 0 "[ . 1]" 1
653 1 46 ARG HA 1 46 ARG QD . . 4.390 3.340 1.987 4.237 . 0 0 "[ . 1]" 1
654 1 46 ARG HA 1 46 ARG HG2 . . 3.420 3.462 2.650 3.790 0.370 5 0 "[ . 1]" 1
655 1 46 ARG HA 1 46 ARG HG3 . . 4.190 3.294 2.327 4.187 . 0 0 "[ . 1]" 1
656 1 46 ARG HB2 1 46 ARG QD . . 3.450 2.642 2.233 3.451 0.001 9 0 "[ . 1]" 1
657 1 46 ARG HB2 1 47 SER H . . 4.230 3.494 2.341 4.456 0.226 10 0 "[ . 1]" 1
658 1 46 ARG HB3 1 46 ARG QD . . 3.450 2.721 2.225 3.304 . 0 0 "[ . 1]" 1
659 1 46 ARG HB3 1 47 SER H . . 4.400 3.802 2.543 4.362 . 0 0 "[ . 1]" 1
660 1 46 ARG HG2 1 47 SER H . . 5.730 4.308 2.647 5.614 . 0 0 "[ . 1]" 1
661 1 46 ARG HG3 1 47 SER H . . 5.290 4.377 2.954 5.170 . 0 0 "[ . 1]" 1
662 1 47 SER H 1 47 SER HB2 . . 3.480 2.858 2.551 3.619 0.139 7 0 "[ . 1]" 1
663 1 47 SER H 1 47 SER HB3 . . 3.480 2.599 2.526 2.878 . 0 0 "[ . 1]" 1
664 1 47 SER H 1 48 LYS H . . 4.110 2.342 2.148 2.513 . 0 0 "[ . 1]" 1
665 1 47 SER H 1 48 LYS HG2 . . 5.370 5.546 5.266 5.836 0.466 4 0 "[ . 1]" 1
666 1 47 SER H 1 48 LYS HG3 . . 5.370 4.528 4.308 4.767 . 0 0 "[ . 1]" 1
667 1 47 SER HA 1 47 SER HB2 . . 2.760 2.497 2.452 2.552 . 0 0 "[ . 1]" 1
668 1 47 SER HA 1 47 SER HB3 . . 3.030 2.904 2.370 3.030 0.000 1 0 "[ . 1]" 1
669 1 47 SER HA 1 49 ILE H . . 5.530 5.483 4.667 6.115 0.585 9 2 "[- . +1]" 1
670 1 47 SER HB2 1 48 LYS H . . 4.300 4.152 4.044 4.308 0.008 6 0 "[ . 1]" 1
671 1 47 SER HB3 1 48 LYS H . . 4.300 3.458 3.041 4.350 0.050 3 0 "[ . 1]" 1
672 1 48 LYS H 1 48 LYS QD . . 5.370 4.663 4.588 4.740 . 0 0 "[ . 1]" 1
673 1 48 LYS H 1 48 LYS HE2 . . 5.580 5.651 5.434 5.854 0.274 4 0 "[ . 1]" 1
674 1 48 LYS H 1 48 LYS HE3 . . 5.220 5.279 5.029 5.532 0.312 7 0 "[ . 1]" 1
675 1 48 LYS H 1 48 LYS HG2 . . 4.520 3.523 3.313 3.662 . 0 0 "[ . 1]" 1
676 1 48 LYS H 1 48 LYS HG3 . . 4.520 2.892 2.744 3.041 . 0 0 "[ . 1]" 1
677 1 48 LYS H 1 49 ILE H . . 3.730 3.012 2.584 3.325 . 0 0 "[ . 1]" 1
678 1 48 LYS H 1 49 ILE MD . . 6.040 4.612 4.283 5.293 . 0 0 "[ . 1]" 1
679 1 48 LYS HA 1 48 LYS QD . . 3.840 4.006 3.884 4.091 0.251 2 0 "[ . 1]" 1
680 1 48 LYS HA 1 48 LYS HE2 . . 4.680 5.088 4.862 5.256 0.576 2 4 "[ +- . **]" 1
681 1 48 LYS HA 1 48 LYS HE3 . . 5.160 5.343 5.259 5.455 0.295 8 0 "[ . 1]" 1
682 1 48 LYS HA 1 48 LYS HG2 . . 3.420 2.570 2.435 2.703 . 0 0 "[ . 1]" 1
683 1 48 LYS HA 1 48 LYS HG3 . . 3.420 3.073 3.001 3.195 . 0 0 "[ . 1]" 1
684 1 48 LYS HA 1 49 ILE H . . 3.560 2.500 2.197 2.854 . 0 0 "[ . 1]" 1
685 1 48 LYS HB2 1 48 LYS QD . . 2.920 2.373 2.301 2.501 . 0 0 "[ . 1]" 1
686 1 48 LYS HB2 1 48 LYS HE2 . . 4.860 4.636 4.619 4.648 . 0 0 "[ . 1]" 1
687 1 48 LYS HB2 1 48 LYS HE3 . . 4.500 4.283 4.184 4.394 . 0 0 "[ . 1]" 1
688 1 48 LYS HB2 1 49 ILE H . . 4.310 4.377 4.189 4.500 0.190 5 0 "[ . 1]" 1
689 1 48 LYS HB3 1 48 LYS QD . . 2.400 2.403 2.309 2.515 0.115 2 0 "[ . 1]" 1
690 1 48 LYS HB3 1 48 LYS HE2 . . 4.070 4.314 4.175 4.402 0.332 2 0 "[ . 1]" 1
691 1 48 LYS HB3 1 48 LYS HE3 . . 4.480 4.645 4.624 4.683 0.203 2 0 "[ . 1]" 1
692 1 48 LYS HB3 1 49 ILE H . . 4.310 4.243 3.988 4.486 0.176 2 0 "[ . 1]" 1
693 1 48 LYS HE2 1 48 LYS HG2 . . 3.660 2.524 2.433 2.617 . 0 0 "[ . 1]" 1
694 1 48 LYS HE3 1 48 LYS HG2 . . 3.660 3.074 2.993 3.179 . 0 0 "[ . 1]" 1
695 1 48 LYS HE2 1 48 LYS HG3 . . 3.660 3.060 2.942 3.157 . 0 0 "[ . 1]" 1
696 1 48 LYS HE3 1 48 LYS HG3 . . 3.660 2.502 2.410 2.605 . 0 0 "[ . 1]" 1
697 1 49 ILE H 1 49 ILE HB . . 3.610 2.647 2.462 3.580 . 0 0 "[ . 1]" 1
698 1 49 ILE H 1 49 ILE HG12 . . 3.810 2.703 2.201 3.585 . 0 0 "[ . 1]" 1
699 1 49 ILE H 1 49 ILE HG13 . . 3.810 3.535 1.643 4.092 0.282 10 0 "[ . 1]" 1
700 1 49 ILE H 1 49 ILE MD . . 4.620 3.445 2.746 3.845 . 0 0 "[ . 1]" 1
701 1 49 ILE H 1 49 ILE MG . . 4.180 3.698 2.739 3.848 . 0 0 "[ . 1]" 1
702 1 49 ILE H 1 50 ARG H . . 4.640 4.517 4.322 4.615 . 0 0 "[ . 1]" 1
703 1 49 ILE HA 1 49 ILE HB . . 2.890 2.980 2.588 3.027 0.137 3 0 "[ . 1]" 1
704 1 49 ILE HA 1 49 ILE HG12 . . 4.010 3.125 2.409 4.215 0.205 7 0 "[ . 1]" 1
705 1 49 ILE HA 1 49 ILE HG13 . . 4.010 3.648 3.039 3.772 . 0 0 "[ . 1]" 1
706 1 49 ILE HA 1 49 ILE MD . . 3.820 2.360 1.921 3.763 . 0 0 "[ . 1]" 1
707 1 49 ILE HA 1 49 ILE MG . . 3.590 2.391 2.206 2.481 . 0 0 "[ . 1]" 1
708 1 49 ILE HA 1 50 ARG H . . 2.960 2.225 2.140 2.432 . 0 0 "[ . 1]" 1
709 1 49 ILE HA 1 74 ILE QG . . 5.800 4.817 4.538 5.221 . 0 0 "[ . 1]" 1
710 1 49 ILE HB 1 49 ILE MD . . 3.540 3.076 2.370 3.240 . 0 0 "[ . 1]" 1
711 1 49 ILE HB 1 74 ILE QG . . 3.590 2.935 2.251 4.322 0.732 10 1 "[ . +]" 1
712 1 49 ILE HG12 1 50 ARG H . . 5.030 4.928 4.108 5.160 0.130 5 0 "[ . 1]" 1
713 1 49 ILE HG13 1 50 ARG H . . 5.030 5.165 4.813 5.572 0.542 5 1 "[ + 1]" 1
714 1 49 ILE MD 1 50 ARG H . . 5.390 3.709 3.371 4.750 . 0 0 "[ . 1]" 1
715 1 49 ILE MD 1 74 ILE QG . . 3.420 2.995 1.910 3.830 0.410 8 0 "[ . 1]" 1
716 1 49 ILE MD 1 75 ARG QD . . 4.240 4.780 3.996 5.591 1.351 10 4 "[ - **+]" 1
717 1 49 ILE QG 1 74 ILE QG . . 3.650 2.296 1.536 3.882 0.232 4 0 "[ . 1]" 1
718 1 49 ILE MG 1 50 ARG H . . 4.620 2.501 2.251 3.317 . 0 0 "[ . 1]" 1
719 1 49 ILE MG 1 74 ILE QG . . 3.420 2.169 1.549 2.876 . 0 0 "[ . 1]" 1
720 1 50 ARG H 1 50 ARG HB2 . . 3.370 2.787 2.536 2.983 . 0 0 "[ . 1]" 1
721 1 50 ARG H 1 50 ARG HB3 . . 3.370 2.510 2.384 2.634 . 0 0 "[ . 1]" 1
722 1 50 ARG H 1 50 ARG HD2 . . 5.500 5.023 4.603 5.241 . 0 0 "[ . 1]" 1
723 1 50 ARG H 1 50 ARG HD3 . . 5.500 4.956 4.726 5.179 . 0 0 "[ . 1]" 1
724 1 50 ARG H 1 50 ARG HG2 . . 4.770 4.473 4.382 4.692 . 0 0 "[ . 1]" 1
725 1 50 ARG H 1 50 ARG HG3 . . 4.770 4.551 4.322 4.684 . 0 0 "[ . 1]" 1
726 1 50 ARG H 1 51 ILE H . . 4.570 4.298 4.160 4.464 . 0 0 "[ . 1]" 1
727 1 50 ARG HA 1 50 ARG HD2 . . 4.630 3.972 1.968 4.467 . 0 0 "[ . 1]" 1
728 1 50 ARG HA 1 50 ARG HD3 . . 4.810 4.277 2.320 4.702 . 0 0 "[ . 1]" 1
729 1 50 ARG HA 1 50 ARG HG2 . . 4.060 3.195 2.932 3.773 . 0 0 "[ . 1]" 1
730 1 50 ARG HA 1 50 ARG HG3 . . 3.780 2.731 2.514 3.380 . 0 0 "[ . 1]" 1
731 1 50 ARG HA 1 51 ILE H . . 2.920 2.151 2.125 2.169 . 0 0 "[ . 1]" 1
732 1 50 ARG HB2 1 50 ARG HD2 . . 3.450 2.655 2.431 3.496 0.046 6 0 "[ . 1]" 1
733 1 50 ARG HB2 1 50 ARG HD3 . . 3.990 3.011 2.499 3.265 . 0 0 "[ . 1]" 1
734 1 50 ARG HB2 1 51 ILE H . . 4.480 4.396 4.276 4.493 0.013 5 0 "[ . 1]" 1
735 1 50 ARG HB2 1 52 ILE MD . . 5.720 5.707 4.715 6.404 0.684 9 1 "[ . +1]" 1
736 1 50 ARG HB3 1 50 ARG HD2 . . 4.060 3.115 2.855 3.821 . 0 0 "[ . 1]" 1
737 1 50 ARG HB3 1 50 ARG HD3 . . 3.450 2.723 2.432 3.710 0.260 4 0 "[ . 1]" 1
738 1 50 ARG HB3 1 51 ILE H . . 4.550 4.345 4.214 4.434 . 0 0 "[ . 1]" 1
739 1 50 ARG HB3 1 52 ILE MD . . 4.670 4.371 3.371 5.329 0.659 9 1 "[ . +1]" 1
740 1 50 ARG HD2 1 51 ILE H . . 5.840 5.202 2.392 6.025 0.185 5 0 "[ . 1]" 1
741 1 50 ARG HD3 1 51 ILE H . . 5.280 5.356 3.303 6.042 0.762 2 2 "[ + . -1]" 1
742 1 50 ARG HG2 1 51 ILE H . . 4.610 3.762 3.355 4.808 0.198 6 0 "[ . 1]" 1
743 1 50 ARG HG3 1 51 ILE H . . 4.750 3.678 3.204 3.919 . 0 0 "[ . 1]" 1
744 1 50 ARG QB 1 52 ILE QG . . 5.900 5.768 5.060 6.211 0.311 6 0 "[ . 1]" 1
745 1 50 ARG QB 1 52 ILE MG . . 4.660 3.510 3.310 3.746 . 0 0 "[ . 1]" 1
746 1 50 ARG QD 1 52 ILE MG . . 4.880 3.037 2.652 3.895 . 0 0 "[ . 1]" 1
747 1 50 ARG QD 1 75 ARG QG . . 4.640 6.512 6.307 6.625 1.985 6 10 [*****+*-**] 1
748 1 50 ARG QG 1 52 ILE MG . . 3.700 2.205 1.892 2.476 . 0 0 "[ . 1]" 1
749 1 50 ARG QG 1 75 ARG QG . . 4.830 5.794 5.287 6.284 1.454 9 9 "[* *****-+*]" 1
750 1 51 ILE H 1 51 ILE HG12 . . 5.500 3.743 3.368 4.087 . 0 0 "[ . 1]" 1
751 1 51 ILE H 1 51 ILE HG13 . . 5.500 2.795 2.129 3.511 . 0 0 "[ . 1]" 1
752 1 51 ILE H 1 51 ILE MD . . 5.780 2.759 1.729 3.735 . 0 0 "[ . 1]" 1
753 1 51 ILE H 1 51 ILE MG . . 4.670 3.801 3.772 3.822 . 0 0 "[ . 1]" 1
754 1 51 ILE H 1 52 ILE H . . 4.340 4.433 4.326 4.535 0.195 5 0 "[ . 1]" 1
755 1 51 ILE HA 1 52 ILE H . . 3.020 2.167 2.153 2.201 . 0 0 "[ . 1]" 1
756 1 51 ILE HA 1 75 ARG QG . . 3.510 3.400 2.637 4.352 0.842 9 2 "[ . +-]" 1
757 1 51 ILE HG12 1 52 ILE H . . 5.850 4.978 4.525 5.401 . 0 0 "[ . 1]" 1
758 1 51 ILE HG13 1 52 ILE H . . 5.280 4.801 4.388 5.181 . 0 0 "[ . 1]" 1
759 1 51 ILE MG 1 52 ILE H . . 4.420 2.823 2.600 3.055 . 0 0 "[ . 1]" 1
760 1 51 ILE MG 1 75 ARG QG . . 4.900 4.002 3.268 4.563 . 0 0 "[ . 1]" 1
761 1 52 ILE H 1 52 ILE HG12 . . 4.700 2.918 2.065 3.188 . 0 0 "[ . 1]" 1
762 1 52 ILE H 1 52 ILE HG13 . . 4.700 3.821 2.884 4.011 . 0 0 "[ . 1]" 1
763 1 52 ILE H 1 52 ILE MD . . 4.400 1.752 1.395 3.747 . 0 0 "[ . 1]" 1
764 1 52 ILE H 1 53 ILE H . . 4.480 4.486 4.442 4.550 0.070 10 0 "[ . 1]" 1
765 1 52 ILE HA 1 52 ILE MD . . 4.530 3.643 3.566 4.186 . 0 0 "[ . 1]" 1
766 1 52 ILE HA 1 53 ILE H . . 3.450 2.266 2.229 2.299 . 0 0 "[ . 1]" 1
767 1 52 ILE HB 1 52 ILE MD . . 3.720 3.159 2.418 3.246 . 0 0 "[ . 1]" 1
768 1 52 ILE HB 1 53 ILE H . . 3.100 2.708 2.616 2.767 . 0 0 "[ . 1]" 1
769 1 52 ILE HG12 1 53 ILE H . . 5.180 3.989 3.680 4.904 . 0 0 "[ . 1]" 1
770 1 52 ILE HG13 1 53 ILE H . . 5.180 4.654 3.995 4.812 . 0 0 "[ . 1]" 1
771 1 52 ILE MD 1 53 ILE H . . 6.010 4.668 4.553 4.772 . 0 0 "[ . 1]" 1
772 1 52 ILE MD 1 55 ASP HA . . 5.130 4.765 4.440 5.041 . 0 0 "[ . 1]" 1
773 1 52 ILE MG 1 53 ILE H . . 4.010 3.791 3.680 3.890 . 0 0 "[ . 1]" 1
774 1 52 ILE MG 1 75 ARG HB2 . . 5.900 6.234 5.753 6.595 0.695 2 3 "[-+ . *1]" 1
775 1 52 ILE MG 1 75 ARG QG . . 4.370 4.722 4.087 5.580 1.210 9 4 "[* .-* +1]" 1
776 1 53 ILE H 1 53 ILE HB . . 2.700 2.551 2.488 2.592 . 0 0 "[ . 1]" 1
777 1 53 ILE H 1 53 ILE MD . . 3.480 3.583 3.184 3.718 0.238 4 0 "[ . 1]" 1
778 1 53 ILE H 1 53 ILE MG . . 3.740 3.784 3.774 3.795 0.055 8 0 "[ . 1]" 1
779 1 53 ILE H 1 54 GLY H . . 4.500 4.572 4.513 4.610 0.110 6 0 "[ . 1]" 1
780 1 53 ILE HA 1 54 GLY H . . 3.410 2.198 2.157 2.244 . 0 0 "[ . 1]" 1
781 1 53 ILE HA 1 55 ASP H . . 3.830 3.460 3.223 3.745 . 0 0 "[ . 1]" 1
782 1 53 ILE HB 1 54 GLY H . . 4.340 4.035 3.905 4.198 . 0 0 "[ . 1]" 1
783 1 53 ILE MG 1 54 GLY H . . 4.460 2.468 2.296 2.712 . 0 0 "[ . 1]" 1
784 1 54 GLY H 1 55 ASP H . . 3.870 2.382 2.080 2.650 . 0 0 "[ . 1]" 1
785 1 54 GLY H 1 55 ASP QB . . 4.750 4.373 4.122 4.516 . 0 0 "[ . 1]" 1
786 1 55 ASP H 1 55 ASP HB2 . . 3.140 2.822 2.453 3.206 0.066 5 0 "[ . 1]" 1
787 1 55 ASP H 1 55 ASP HB3 . . 3.790 2.709 2.418 3.112 . 0 0 "[ . 1]" 1
788 1 55 ASP H 1 55 ASP QB . . 2.720 2.444 2.254 2.740 0.020 6 0 "[ . 1]" 1
789 1 55 ASP H 1 56 ARG H . . 4.380 4.492 4.348 4.600 0.220 10 0 "[ . 1]" 1
790 1 55 ASP HA 1 56 ARG H . . 2.950 2.371 2.215 2.562 . 0 0 "[ . 1]" 1
791 1 55 ASP HB2 1 56 ARG H . . 4.170 3.966 3.826 4.162 . 0 0 "[ . 1]" 1
792 1 55 ASP HB3 1 56 ARG H . . 4.170 3.542 2.912 4.005 . 0 0 "[ . 1]" 1
793 1 55 ASP QB 1 56 ARG H . . 3.510 3.290 2.827 3.633 0.123 8 0 "[ . 1]" 1
794 1 56 ARG H 1 56 ARG QB . . 3.390 2.423 2.275 2.921 . 0 0 "[ . 1]" 1
795 1 56 ARG H 1 56 ARG QD . . 5.500 3.615 1.352 4.464 . 0 0 "[ . 1]" 1
796 1 56 ARG H 1 57 VAL H . . 4.610 4.541 4.340 4.611 0.001 1 0 "[ . 1]" 1
797 1 56 ARG H 1 75 ARG QG . . 5.020 5.323 4.588 6.262 1.242 2 4 "[ +* . * -]" 1
798 1 56 ARG H 1 76 ARG H . . 4.700 5.048 4.145 5.738 1.038 10 4 "[ -* . * +]" 1
799 1 56 ARG HA 1 56 ARG QD . . 4.150 2.399 1.761 3.982 . 0 0 "[ . 1]" 1
800 1 56 ARG HA 1 57 VAL H . . 3.090 2.247 2.163 2.380 . 0 0 "[ . 1]" 1
801 1 56 ARG QB 1 57 VAL H . . 3.950 2.908 2.512 3.381 . 0 0 "[ . 1]" 1
802 1 56 ARG QD 1 57 VAL H . . 5.130 3.630 2.769 5.350 0.220 8 0 "[ . 1]" 1
803 1 57 VAL H 1 57 VAL MG1 . . 4.680 2.971 2.734 3.106 . 0 0 "[ . 1]" 1
804 1 57 VAL H 1 57 VAL MG2 . . 4.680 2.182 1.958 2.283 . 0 0 "[ . 1]" 1
805 1 57 VAL H 1 57 VAL QG . . 3.990 2.129 1.926 2.214 . 0 0 "[ . 1]" 1
806 1 57 VAL H 1 58 LEU H . . 5.020 4.420 4.381 4.451 . 0 0 "[ . 1]" 1
807 1 57 VAL HA 1 58 LEU H . . 3.310 2.350 2.232 2.580 . 0 0 "[ . 1]" 1
808 1 57 VAL HB 1 58 LEU H . . 4.020 2.462 1.976 2.729 . 0 0 "[ . 1]" 1
809 1 57 VAL HB 1 75 ARG QB . . 5.950 4.987 4.415 5.690 . 0 0 "[ . 1]" 1
810 1 57 VAL MG1 1 58 LEU H . . 5.080 3.631 3.469 3.753 . 0 0 "[ . 1]" 1
811 1 57 VAL MG2 1 58 LEU H . . 5.080 3.491 2.915 3.739 . 0 0 "[ . 1]" 1
812 1 57 VAL QG 1 58 LEU H . . 4.170 3.159 2.787 3.306 . 0 0 "[ . 1]" 1
813 1 57 VAL QG 1 59 VAL HA . . 4.720 4.493 4.109 4.762 0.042 3 0 "[ . 1]" 1
814 1 58 LEU H 1 58 LEU HB2 . . 3.970 2.922 2.874 2.996 . 0 0 "[ . 1]" 1
815 1 58 LEU H 1 58 LEU HB3 . . 3.970 2.489 2.405 2.553 . 0 0 "[ . 1]" 1
816 1 58 LEU H 1 58 LEU HG . . 4.590 4.401 4.300 4.460 . 0 0 "[ . 1]" 1
817 1 58 LEU H 1 58 LEU MD1 . . 5.000 4.301 4.263 4.340 . 0 0 "[ . 1]" 1
818 1 58 LEU H 1 58 LEU MD2 . . 5.000 4.360 4.296 4.398 . 0 0 "[ . 1]" 1
819 1 58 LEU H 1 58 LEU QD . . 4.380 3.857 3.847 3.868 . 0 0 "[ . 1]" 1
820 1 58 LEU H 1 59 VAL H . . 4.820 4.318 4.199 4.388 . 0 0 "[ . 1]" 1
821 1 58 LEU H 1 75 ARG H . . 3.950 3.000 2.428 4.058 0.108 8 0 "[ . 1]" 1
822 1 58 LEU HA 1 58 LEU HG . . 3.970 3.126 3.058 3.196 . 0 0 "[ . 1]" 1
823 1 58 LEU HA 1 58 LEU MD1 . . 3.710 2.130 2.060 2.207 . 0 0 "[ . 1]" 1
824 1 58 LEU HA 1 58 LEU MD2 . . 3.710 3.911 3.889 3.946 0.236 3 0 "[ . 1]" 1
825 1 58 LEU HG 1 73 ILE HA . . 5.420 5.613 4.701 6.509 1.089 8 3 "[ * .- + 1]" 1
826 1 58 LEU MD1 1 60 GLU HA . . 5.010 4.767 3.858 5.178 0.168 4 0 "[ . 1]" 1
827 1 58 LEU QD 1 59 VAL H . . 4.330 2.624 2.400 2.792 . 0 0 "[ . 1]" 1
828 1 58 LEU QD 1 60 GLU HA . . 4.750 4.454 3.727 4.827 0.077 4 0 "[ . 1]" 1
829 1 58 LEU QD 1 60 GLU QB . . 3.690 4.077 3.424 4.872 1.182 6 4 "[*- .+ *1]" 1
830 1 58 LEU QD 1 60 GLU QG . . 4.890 3.889 2.453 5.216 0.326 2 0 "[ . 1]" 1
831 1 59 VAL H 1 59 VAL HB . . 3.880 3.043 2.569 3.245 . 0 0 "[ . 1]" 1
832 1 59 VAL H 1 60 GLU H . . 4.510 4.339 4.203 4.432 . 0 0 "[ . 1]" 1
833 1 59 VAL HA 1 60 GLU H . . 3.200 2.113 2.091 2.147 . 0 0 "[ . 1]" 1
834 1 59 VAL HA 1 72 ARG HG3 . . 5.870 5.252 4.339 6.531 0.661 2 3 "[*+ -. 1]" 1
835 1 59 VAL HB 1 60 GLU H . . 4.360 4.158 4.069 4.343 . 0 0 "[ . 1]" 1
836 1 59 VAL QG 1 60 GLU H . . 4.730 2.691 2.500 3.051 . 0 0 "[ . 1]" 1
837 1 59 VAL QG 1 61 MET QG . . 5.100 3.129 2.553 3.640 . 0 0 "[ . 1]" 1
838 1 60 GLU H 1 60 GLU QB . . 3.840 2.562 2.307 2.950 . 0 0 "[ . 1]" 1
839 1 60 GLU H 1 60 GLU QG . . 4.300 2.978 1.991 4.057 . 0 0 "[ . 1]" 1
840 1 60 GLU H 1 61 MET H . . 4.110 4.243 4.157 4.294 0.184 10 0 "[ . 1]" 1
841 1 60 GLU H 1 72 ARG H . . 5.060 3.124 2.644 3.634 . 0 0 "[ . 1]" 1
842 1 60 GLU H 1 73 ILE H . . 5.880 5.028 4.561 5.553 . 0 0 "[ . 1]" 1
843 1 60 GLU H 1 73 ILE HA . . 4.630 3.786 3.154 4.475 . 0 0 "[ . 1]" 1
844 1 60 GLU H 1 73 ILE MG . . 5.950 5.697 4.980 6.231 0.281 8 0 "[ . 1]" 1
845 1 60 GLU HA 1 60 GLU HG2 . . 3.800 3.073 2.689 3.719 . 0 0 "[ . 1]" 1
846 1 60 GLU HA 1 60 GLU HG3 . . 3.800 3.065 2.563 3.820 0.020 10 0 "[ . 1]" 1
847 1 60 GLU HA 1 61 MET H . . 2.970 2.178 2.111 2.244 . 0 0 "[ . 1]" 1
848 1 60 GLU QB 1 61 MET H . . 4.540 3.656 3.330 3.955 . 0 0 "[ . 1]" 1
849 1 60 GLU HG2 1 61 MET H . . 4.710 4.421 3.481 5.264 0.554 4 1 "[ +. 1]" 1
850 1 60 GLU HG3 1 61 MET H . . 4.560 4.524 3.660 5.314 0.754 6 4 "[* - .+ *1]" 1
851 1 60 GLU QG 1 61 MET H . . 4.160 3.962 3.221 4.569 0.409 6 0 "[ . 1]" 1
852 1 61 MET H 1 61 MET HB2 . . 4.150 3.885 3.765 3.989 . 0 0 "[ . 1]" 1
853 1 61 MET H 1 61 MET HB3 . . 4.000 3.253 3.123 3.394 . 0 0 "[ . 1]" 1
854 1 61 MET H 1 61 MET HG2 . . 4.720 3.583 3.335 3.889 . 0 0 "[ . 1]" 1
855 1 61 MET H 1 61 MET HG3 . . 5.090 3.412 2.107 4.335 . 0 0 "[ . 1]" 1
856 1 61 MET H 1 62 SER H . . 4.260 4.413 4.345 4.482 0.222 4 0 "[ . 1]" 1
857 1 61 MET HA 1 61 MET HG2 . . 4.200 3.895 3.638 4.230 0.030 2 0 "[ . 1]" 1
858 1 61 MET HA 1 61 MET HG3 . . 4.200 4.007 3.644 4.252 0.052 10 0 "[ . 1]" 1
859 1 61 MET HA 1 62 SER H . . 3.530 2.333 2.195 2.461 . 0 0 "[ . 1]" 1
860 1 61 MET HA 1 72 ARG H . . 5.540 3.642 3.257 4.532 . 0 0 "[ . 1]" 1
861 1 61 MET HB2 1 62 SER H . . 4.880 2.617 2.450 2.961 . 0 0 "[ . 1]" 1
862 1 61 MET HB3 1 62 SER H . . 4.880 3.861 3.648 4.113 . 0 0 "[ . 1]" 1
863 1 61 MET QB 1 70 LYS QB . . 5.600 5.327 5.173 5.399 . 0 0 "[ . 1]" 1
864 1 61 MET QG 1 70 LYS QB . . 5.480 6.436 6.143 6.597 1.117 2 10 [*+*****-**] 1
865 1 62 SER H 1 63 ILE H . . 5.240 4.508 4.366 4.569 . 0 0 "[ . 1]" 1
866 1 62 SER H 1 63 ILE MD . . 5.770 5.192 4.908 6.510 0.740 10 1 "[ . +]" 1
867 1 62 SER H 1 64 TYR HB2 . . 5.610 5.835 5.534 6.317 0.707 1 1 "[+ . 1]" 1
868 1 62 SER H 1 64 TYR QB . . 5.440 5.650 5.375 6.092 0.652 1 1 "[+ . 1]" 1
869 1 62 SER H 1 65 ASP H . . 6.250 5.961 5.794 6.171 . 0 0 "[ . 1]" 1
870 1 62 SER H 1 66 ARG HG2 . . 5.910 5.769 4.660 6.589 0.679 8 1 "[ . + 1]" 1
871 1 62 SER HA 1 62 SER QB . . 2.590 2.321 2.192 2.375 . 0 0 "[ . 1]" 1
872 1 62 SER HA 1 63 ILE HB . . 4.980 4.856 4.668 4.992 0.012 5 0 "[ . 1]" 1
873 1 62 SER HA 1 63 ILE MD . . 4.080 3.746 2.642 4.886 0.806 10 1 "[ . +]" 1
874 1 62 SER HA 1 63 ILE MG . . 5.600 5.426 5.390 5.493 . 0 0 "[ . 1]" 1
875 1 62 SER QB 1 63 ILE H . . 3.800 3.127 2.842 3.546 . 0 0 "[ . 1]" 1
876 1 62 SER QB 1 68 ALA HA . . 6.010 4.798 4.054 5.952 . 0 0 "[ . 1]" 1
877 1 63 ILE H 1 63 ILE HB . . 3.690 2.638 2.534 2.758 . 0 0 "[ . 1]" 1
878 1 63 ILE H 1 63 ILE HG12 . . 3.900 2.468 1.938 3.733 . 0 0 "[ . 1]" 1
879 1 63 ILE H 1 63 ILE HG13 . . 3.900 3.218 1.849 3.614 . 0 0 "[ . 1]" 1
880 1 63 ILE H 1 63 ILE MD . . 4.730 2.797 1.418 3.477 . 0 0 "[ . 1]" 1
881 1 63 ILE H 1 63 ILE MG . . 4.770 3.779 3.765 3.791 . 0 0 "[ . 1]" 1
882 1 63 ILE H 1 64 TYR H . . 3.700 2.641 2.509 2.707 . 0 0 "[ . 1]" 1
883 1 63 ILE HA 1 63 ILE HB . . 2.900 3.022 3.016 3.026 0.126 4 0 "[ . 1]" 1
884 1 63 ILE HA 1 63 ILE HG12 . . 3.660 3.227 2.686 3.694 0.034 5 0 "[ . 1]" 1
885 1 63 ILE HA 1 63 ILE HG13 . . 3.660 3.490 2.569 3.824 0.164 9 0 "[ . 1]" 1
886 1 63 ILE HA 1 63 ILE MD . . 4.030 2.564 2.017 3.899 . 0 0 "[ . 1]" 1
887 1 63 ILE HB 1 63 ILE MD . . 3.570 2.967 2.293 3.239 . 0 0 "[ . 1]" 1
888 1 63 ILE HB 1 64 TYR H . . 3.840 3.592 3.182 3.719 . 0 0 "[ . 1]" 1
889 1 63 ILE HG12 1 64 TYR H . . 5.830 4.744 4.348 5.706 . 0 0 "[ . 1]" 1
890 1 63 ILE HG13 1 64 TYR H . . 5.550 5.260 4.342 5.624 0.074 3 0 "[ . 1]" 1
891 1 63 ILE MD 1 64 TYR H . . 5.030 4.496 3.802 5.220 0.190 10 0 "[ . 1]" 1
892 1 63 ILE MG 1 64 TYR H . . 4.830 4.151 3.886 4.247 . 0 0 "[ . 1]" 1
893 1 63 ILE MG 1 68 ALA MB . . 5.280 4.037 3.309 4.748 . 0 0 "[ . 1]" 1
894 1 64 TYR H 1 64 TYR HB2 . . 3.400 2.465 2.406 2.533 . 0 0 "[ . 1]" 1
895 1 64 TYR H 1 64 TYR HB3 . . 3.400 3.608 3.590 3.636 0.236 3 0 "[ . 1]" 1
896 1 64 TYR H 1 64 TYR HD1 . . 4.280 4.125 3.411 4.645 0.365 5 0 "[ . 1]" 1
897 1 64 TYR H 1 64 TYR HD2 . . 4.280 3.116 2.477 3.971 . 0 0 "[ . 1]" 1
898 1 64 TYR H 1 64 TYR HE1 . . 5.500 5.555 5.049 6.043 0.543 5 1 "[ + 1]" 1
899 1 64 TYR H 1 64 TYR HE2 . . 5.500 4.857 4.457 5.440 . 0 0 "[ . 1]" 1
900 1 64 TYR H 1 64 TYR QB . . 2.980 2.425 2.372 2.485 . 0 0 "[ . 1]" 1
901 1 64 TYR H 1 65 ASP H . . 3.770 3.280 3.026 3.401 . 0 0 "[ . 1]" 1
902 1 64 TYR HA 1 64 TYR HD1 . . 4.510 2.370 1.949 2.808 . 0 0 "[ . 1]" 1
903 1 64 TYR HA 1 64 TYR HD2 . . 4.520 4.402 4.108 4.663 0.143 3 0 "[ . 1]" 1
904 1 64 TYR HA 1 64 TYR HE1 . . 5.890 4.579 4.360 4.791 . 0 0 "[ . 1]" 1
905 1 64 TYR HA 1 64 TYR HE2 . . 5.890 5.891 5.652 6.121 0.231 3 0 "[ . 1]" 1
906 1 64 TYR HB2 1 64 TYR HE1 . . 5.460 5.464 5.437 5.481 0.021 10 0 "[ . 1]" 1
907 1 64 TYR HB2 1 64 TYR HE2 . . 5.460 4.627 4.606 4.666 . 0 0 "[ . 1]" 1
908 1 64 TYR HB2 1 65 ASP H . . 3.490 1.983 1.863 2.085 . 0 0 "[ . 1]" 1
909 1 64 TYR HB2 1 66 ARG H . . 4.200 3.970 3.612 4.104 . 0 0 "[ . 1]" 1
910 1 64 TYR HB2 1 68 ALA HA . . 5.940 6.155 5.609 6.532 0.592 7 2 "[ - + 1]" 1
911 1 64 TYR HB2 1 68 ALA MB . . 5.060 4.529 3.953 5.124 0.064 4 0 "[ . 1]" 1
912 1 64 TYR HB3 1 64 TYR HE1 . . 5.130 4.857 4.722 5.087 . 0 0 "[ . 1]" 1
913 1 64 TYR HB3 1 64 TYR HE2 . . 5.150 5.260 5.047 5.382 0.232 7 0 "[ . 1]" 1
914 1 64 TYR HB3 1 65 ASP H . . 3.490 2.666 2.525 3.123 . 0 0 "[ . 1]" 1
915 1 64 TYR HB3 1 66 ARG H . . 4.650 4.415 4.198 4.930 0.280 10 0 "[ . 1]" 1
916 1 64 TYR HB3 1 68 ALA MB . . 5.410 5.175 4.738 5.676 0.266 4 0 "[ . 1]" 1
917 1 64 TYR HD1 1 65 ASP H . . 4.860 5.016 4.908 5.235 0.375 10 0 "[ . 1]" 1
918 1 64 TYR HD2 1 65 ASP H . . 4.860 4.168 4.036 4.277 . 0 0 "[ . 1]" 1
919 1 64 TYR QB 1 65 ASP H . . 2.940 1.930 1.817 2.027 . 0 0 "[ . 1]" 1
920 1 64 TYR QB 1 66 ARG H . . 3.620 3.692 3.445 3.830 0.210 10 0 "[ . 1]" 1
921 1 65 ASP H 1 65 ASP HB2 . . 3.920 3.476 3.261 3.929 0.009 8 0 "[ . 1]" 1
922 1 65 ASP H 1 65 ASP HB3 . . 3.920 2.898 2.753 3.338 . 0 0 "[ . 1]" 1
923 1 65 ASP H 1 66 ARG H . . 3.960 2.506 2.200 2.614 . 0 0 "[ . 1]" 1
924 1 66 ARG H 1 66 ARG HB2 . . 3.780 3.623 3.600 3.658 . 0 0 "[ . 1]" 1
925 1 66 ARG H 1 66 ARG HB3 . . 3.780 2.673 2.531 2.965 . 0 0 "[ . 1]" 1
926 1 66 ARG H 1 66 ARG QD . . 5.230 1.559 1.338 1.861 . 0 0 "[ . 1]" 1
927 1 66 ARG H 1 66 ARG HG2 . . 4.250 2.953 2.472 3.371 . 0 0 "[ . 1]" 1
928 1 66 ARG H 1 66 ARG HG3 . . 4.250 3.765 3.586 3.924 . 0 0 "[ . 1]" 1
929 1 66 ARG H 1 67 ASN H . . 4.550 2.720 2.362 3.094 . 0 0 "[ . 1]" 1
930 1 66 ARG HA 1 66 ARG QD . . 4.130 3.645 3.485 3.940 . 0 0 "[ . 1]" 1
931 1 66 ARG HA 1 66 ARG HG2 . . 4.160 3.699 3.652 3.763 . 0 0 "[ . 1]" 1
932 1 66 ARG HA 1 66 ARG HG3 . . 4.160 4.251 4.232 4.266 0.106 3 0 "[ . 1]" 1
933 1 66 ARG HB2 1 66 ARG QD . . 3.760 3.371 3.251 3.592 . 0 0 "[ . 1]" 1
934 1 66 ARG HB3 1 66 ARG QD . . 3.760 2.423 2.190 3.005 . 0 0 "[ . 1]" 1
935 1 66 ARG QD 1 68 ALA MB . . 5.450 5.056 4.827 5.304 . 0 0 "[ . 1]" 1
936 1 66 ARG QB 1 67 ASN H . . 4.250 3.390 3.032 3.571 . 0 0 "[ . 1]" 1
937 1 67 ASN H 1 68 ALA H . . 4.050 2.633 2.395 2.935 . 0 0 "[ . 1]" 1
938 1 67 ASN HA 1 68 ALA MB . . 4.660 4.754 4.666 4.915 0.255 7 0 "[ . 1]" 1
939 1 67 ASN HB2 1 68 ALA H . . 4.280 4.015 3.418 4.482 0.202 10 0 "[ . 1]" 1
940 1 67 ASN HB3 1 68 ALA H . . 4.530 4.278 3.914 4.453 . 0 0 "[ . 1]" 1
941 1 67 ASN QB 1 68 ALA MB . . 4.860 4.446 4.198 4.706 . 0 0 "[ . 1]" 1
942 1 68 ALA H 1 69 LYS H . . 3.460 2.343 2.111 2.549 . 0 0 "[ . 1]" 1
943 1 68 ALA MB 1 69 LYS H . . 5.300 2.734 2.396 3.130 . 0 0 "[ . 1]" 1
944 1 69 LYS H 1 69 LYS QD . . 4.330 2.978 1.578 4.543 0.213 2 0 "[ . 1]" 1
945 1 69 LYS H 1 69 LYS QE . . 5.500 3.984 3.547 4.557 . 0 0 "[ . 1]" 1
946 1 69 LYS H 1 69 LYS HG2 . . 4.690 3.640 2.134 4.213 . 0 0 "[ . 1]" 1
947 1 69 LYS H 1 69 LYS HG3 . . 4.690 2.774 1.640 3.602 . 0 0 "[ . 1]" 1
948 1 69 LYS H 1 70 LYS H . . 2.610 2.288 1.958 2.653 0.043 8 0 "[ . 1]" 1
949 1 69 LYS HA 1 69 LYS QD . . 4.150 3.691 3.086 4.257 0.107 4 0 "[ . 1]" 1
950 1 69 LYS HA 1 69 LYS QE . . 5.290 4.820 4.248 5.447 0.157 4 0 "[ . 1]" 1
951 1 69 LYS HA 1 69 LYS HG2 . . 4.120 3.614 2.524 4.247 0.127 6 0 "[ . 1]" 1
952 1 69 LYS HA 1 69 LYS HG3 . . 3.650 3.046 2.381 3.707 0.057 4 0 "[ . 1]" 1
953 1 69 LYS HB2 1 69 LYS QD . . 2.570 2.305 2.176 2.845 0.275 2 0 "[ . 1]" 1
954 1 69 LYS HB2 1 69 LYS QE . . 4.650 3.708 1.923 3.964 . 0 0 "[ . 1]" 1
955 1 69 LYS HB2 1 70 LYS H . . 4.950 3.238 2.291 4.339 . 0 0 "[ . 1]" 1
956 1 69 LYS HB3 1 69 LYS QD . . 3.570 3.009 2.363 3.292 . 0 0 "[ . 1]" 1
957 1 69 LYS HB3 1 69 LYS QE . . 4.650 4.038 2.948 4.240 . 0 0 "[ . 1]" 1
958 1 69 LYS HB3 1 70 LYS H . . 4.950 3.922 3.448 4.596 . 0 0 "[ . 1]" 1
959 1 69 LYS QD 1 70 LYS H . . 2.790 3.929 3.307 5.041 2.251 2 10 [*+******-*] 1
960 1 69 LYS QE 1 70 LYS H . . 5.500 5.101 3.998 5.821 0.321 3 0 "[ . 1]" 1
961 1 69 LYS QE 1 69 LYS HG2 . . 3.390 2.460 2.280 3.452 0.062 2 0 "[ . 1]" 1
962 1 69 LYS HG2 1 70 LYS H . . 4.930 4.832 3.411 5.330 0.400 9 0 "[ . 1]" 1
963 1 69 LYS QE 1 69 LYS HG3 . . 3.390 2.460 2.308 2.707 . 0 0 "[ . 1]" 1
964 1 69 LYS HG3 1 70 LYS H . . 4.110 4.076 2.546 4.881 0.771 3 4 "[* + * -]" 1
965 1 69 LYS QB 1 69 LYS QD . . 2.370 2.185 2.116 2.254 . 0 0 "[ . 1]" 1
966 1 69 LYS QD 1 69 LYS QE . . 2.060 2.080 2.019 2.092 0.032 9 0 "[ . 1]" 1
967 1 69 LYS QD 1 69 LYS QG . . 2.060 2.083 2.016 2.095 0.035 6 0 "[ . 1]" 1
968 1 70 LYS H 1 70 LYS HB2 . . 4.050 3.570 2.475 3.964 . 0 0 "[ . 1]" 1
969 1 70 LYS H 1 70 LYS HB3 . . 4.050 3.354 2.909 3.739 . 0 0 "[ . 1]" 1
970 1 70 LYS H 1 70 LYS QD . . 2.950 3.366 2.626 4.434 1.484 9 4 "[ * .- *+1]" 1
971 1 70 LYS H 1 70 LYS HG2 . . 4.110 3.875 2.134 4.648 0.538 5 1 "[ + 1]" 1
972 1 70 LYS H 1 70 LYS HG3 . . 4.110 2.774 1.984 4.045 . 0 0 "[ . 1]" 1
973 1 70 LYS H 1 71 GLY H . . 4.500 4.336 4.209 4.469 . 0 0 "[ . 1]" 1
974 1 70 LYS HA 1 70 LYS QD . . 3.760 3.652 3.171 4.479 0.719 2 1 "[ + . 1]" 1
975 1 70 LYS HA 1 70 LYS HG2 . . 4.250 4.041 3.495 4.261 0.011 8 0 "[ . 1]" 1
976 1 70 LYS HA 1 70 LYS HG3 . . 4.250 3.382 2.231 3.744 . 0 0 "[ . 1]" 1
977 1 70 LYS HA 1 71 GLY H . . 3.500 2.193 2.135 2.274 . 0 0 "[ . 1]" 1
978 1 70 LYS HB2 1 70 LYS QD . . 2.550 2.303 2.202 2.761 0.211 2 0 "[ . 1]" 1
979 1 70 LYS HB2 1 71 GLY H . . 4.400 3.268 2.746 4.300 . 0 0 "[ . 1]" 1
980 1 70 LYS HB3 1 70 LYS QD . . 3.530 3.181 2.457 3.317 . 0 0 "[ . 1]" 1
981 1 70 LYS HB3 1 71 GLY H . . 4.400 3.855 3.252 4.421 0.021 9 0 "[ . 1]" 1
982 1 70 LYS QD 1 70 LYS HG2 . . 2.650 2.339 2.174 2.405 . 0 0 "[ . 1]" 1
983 1 70 LYS HG2 1 71 GLY H . . 4.920 5.153 4.817 5.432 0.512 4 1 "[ +. 1]" 1
984 1 70 LYS QD 1 70 LYS HG3 . . 2.400 2.345 2.288 2.399 . 0 0 "[ . 1]" 1
985 1 70 LYS HG3 1 71 GLY H . . 4.910 4.553 3.920 5.010 0.100 1 0 "[ . 1]" 1
986 1 70 LYS QB 1 70 LYS QD . . 2.240 2.222 2.167 2.297 0.057 2 0 "[ . 1]" 1
987 1 70 LYS QD 1 71 GLY H . . 3.940 4.042 2.567 5.428 1.488 2 3 "[ + * - 1]" 1
988 1 71 GLY H 1 72 ARG H . . 4.720 4.443 4.387 4.497 . 0 0 "[ . 1]" 1
989 1 71 GLY HA2 1 72 ARG H . . 3.430 2.513 2.340 2.619 . 0 0 "[ . 1]" 1
990 1 71 GLY HA3 1 72 ARG H . . 3.430 2.622 2.510 2.834 . 0 0 "[ . 1]" 1
991 1 71 GLY QA 1 72 ARG H . . 3.000 2.272 2.231 2.321 . 0 0 "[ . 1]" 1
992 1 72 ARG H 1 72 ARG HD2 . . 5.500 4.457 3.973 4.841 . 0 0 "[ . 1]" 1
993 1 72 ARG H 1 72 ARG HD3 . . 5.500 4.526 3.666 4.950 . 0 0 "[ . 1]" 1
994 1 72 ARG H 1 72 ARG HG2 . . 4.630 2.716 1.992 3.911 . 0 0 "[ . 1]" 1
995 1 72 ARG H 1 72 ARG HG3 . . 4.630 2.726 2.338 3.221 . 0 0 "[ . 1]" 1
996 1 72 ARG H 1 73 ILE H . . 5.500 4.345 4.255 4.438 . 0 0 "[ . 1]" 1
997 1 72 ARG HA 1 72 ARG HD2 . . 5.500 4.995 4.636 5.545 0.045 7 0 "[ . 1]" 1
998 1 72 ARG HA 1 72 ARG HD3 . . 4.850 4.672 4.377 4.911 0.061 8 0 "[ . 1]" 1
999 1 72 ARG HA 1 72 ARG HG2 . . 4.030 3.344 2.677 3.779 . 0 0 "[ . 1]" 1
1000 1 72 ARG HA 1 72 ARG HG3 . . 4.150 3.498 2.859 3.791 . 0 0 "[ . 1]" 1
1001 1 72 ARG QB 1 72 ARG HD2 . . 3.590 2.720 2.210 3.303 . 0 0 "[ . 1]" 1
1002 1 72 ARG QB 1 72 ARG HD3 . . 3.590 2.405 2.296 2.504 . 0 0 "[ . 1]" 1
1003 1 72 ARG QB 1 72 ARG HG2 . . 2.690 2.316 2.246 2.356 . 0 0 "[ . 1]" 1
1004 1 72 ARG QB 1 72 ARG HG3 . . 2.690 2.368 2.324 2.436 . 0 0 "[ . 1]" 1
1005 1 72 ARG QB 1 73 ILE H . . 5.500 3.336 2.961 3.505 . 0 0 "[ . 1]" 1
1006 1 72 ARG HG2 1 73 ILE H . . 5.150 5.004 4.724 5.353 0.203 8 0 "[ . 1]" 1
1007 1 72 ARG HG3 1 73 ILE H . . 5.140 4.747 4.065 5.337 0.197 6 0 "[ . 1]" 1
1008 1 73 ILE H 1 73 ILE HA . . 2.750 2.937 2.922 2.946 0.196 8 0 "[ . 1]" 1
1009 1 73 ILE H 1 73 ILE HB . . 3.640 2.799 2.413 3.039 . 0 0 "[ . 1]" 1
1010 1 73 ILE H 1 73 ILE MD . . 4.700 4.079 2.293 4.546 . 0 0 "[ . 1]" 1
1011 1 73 ILE H 1 73 ILE MG . . 4.640 2.513 1.867 3.811 . 0 0 "[ . 1]" 1
1012 1 73 ILE H 1 74 ILE H . . 4.710 4.446 4.406 4.505 . 0 0 "[ . 1]" 1
1013 1 73 ILE HA 1 73 ILE MD . . 4.000 3.367 1.946 3.869 . 0 0 "[ . 1]" 1
1014 1 73 ILE HB 1 74 ILE HA . . 5.820 5.453 4.692 5.798 . 0 0 "[ . 1]" 1
1015 1 73 ILE MG 1 74 ILE HA . . 4.630 3.720 3.244 4.012 . 0 0 "[ . 1]" 1
1016 1 74 ILE H 1 74 ILE HB . . 4.190 3.291 3.193 3.469 . 0 0 "[ . 1]" 1
1017 1 74 ILE H 1 74 ILE QG . . 4.520 3.970 3.923 4.007 . 0 0 "[ . 1]" 1
1018 1 74 ILE H 1 74 ILE MD . . 4.860 4.639 4.552 4.735 . 0 0 "[ . 1]" 1
1019 1 74 ILE H 1 75 ARG H . . 3.230 2.554 2.430 2.657 . 0 0 "[ . 1]" 1
1020 1 74 ILE HA 1 74 ILE MD . . 4.330 3.852 3.804 3.871 . 0 0 "[ . 1]" 1
1021 1 74 ILE HB 1 74 ILE MD . . 3.420 2.421 2.388 2.449 . 0 0 "[ . 1]" 1
1022 1 74 ILE HB 1 75 ARG H . . 4.120 3.726 3.682 3.762 . 0 0 "[ . 1]" 1
1023 1 74 ILE QG 1 75 ARG H . . 4.000 2.628 2.474 2.717 . 0 0 "[ . 1]" 1
1024 1 74 ILE MD 1 75 ARG H . . 4.230 3.709 3.597 3.801 . 0 0 "[ . 1]" 1
1025 1 74 ILE MG 1 75 ARG H . . 4.710 1.428 1.378 1.474 . 0 0 "[ . 1]" 1
1026 1 75 ARG H 1 75 ARG HB2 . . 4.190 3.424 3.180 3.495 . 0 0 "[ . 1]" 1
1027 1 75 ARG H 1 75 ARG HB3 . . 3.830 3.460 3.346 3.888 0.058 2 0 "[ . 1]" 1
1028 1 75 ARG H 1 75 ARG QD . . 5.500 5.031 4.494 5.398 . 0 0 "[ . 1]" 1
1029 1 75 ARG H 1 75 ARG QB . . 3.280 3.055 3.032 3.079 . 0 0 "[ . 1]" 1
1030 1 75 ARG H 1 76 ARG H . . 4.480 4.293 4.161 4.321 . 0 0 "[ . 1]" 1
1031 1 75 ARG HA 1 75 ARG QD . . 4.040 3.860 3.278 4.049 0.009 7 0 "[ . 1]" 1
1032 1 75 ARG HA 1 75 ARG QG . . 3.710 2.279 2.145 2.384 . 0 0 "[ . 1]" 1
1033 1 75 ARG HA 1 75 ARG QB . . 2.310 2.466 2.433 2.521 0.211 2 0 "[ . 1]" 1
1034 1 75 ARG HA 1 76 ARG H . . 3.140 2.485 2.274 2.541 . 0 0 "[ . 1]" 1
1035 1 75 ARG HB2 1 75 ARG QD . . 3.470 2.788 2.370 3.243 . 0 0 "[ . 1]" 1
1036 1 75 ARG HB2 1 76 ARG H . . 3.890 3.915 3.799 4.193 0.303 4 0 "[ . 1]" 1
1037 1 75 ARG HB3 1 75 ARG QD . . 3.470 2.232 2.076 2.457 . 0 0 "[ . 1]" 1
1038 1 75 ARG HB3 1 76 ARG H . . 3.920 3.168 2.344 3.829 . 0 0 "[ . 1]" 1
1039 1 75 ARG QG 1 76 ARG H . . 2.600 1.973 1.460 3.219 0.619 2 1 "[ + . 1]" 1
1040 1 75 ARG QB 1 75 ARG QD . . 2.620 2.119 2.044 2.269 . 0 0 "[ . 1]" 1
1041 1 75 ARG QB 1 75 ARG QG . . 2.060 2.055 2.016 2.090 0.030 3 0 "[ . 1]" 1
1042 1 75 ARG QB 1 76 ARG H . . 3.420 3.027 2.323 3.548 0.128 4 0 "[ . 1]" 1
1043 1 76 ARG H 1 76 ARG HB2 . . 3.730 2.841 2.225 3.641 . 0 0 "[ . 1]" 1
1044 1 76 ARG H 1 76 ARG HB3 . . 3.730 2.578 2.250 3.135 . 0 0 "[ . 1]" 1
1045 1 76 ARG H 1 76 ARG QD . . 5.210 4.398 3.915 5.112 . 0 0 "[ . 1]" 1
1046 1 76 ARG H 1 76 ARG HG2 . . 5.160 4.177 2.720 4.612 . 0 0 "[ . 1]" 1
1047 1 76 ARG H 1 76 ARG HG3 . . 5.150 4.110 2.099 4.914 . 0 0 "[ . 1]" 1
1048 1 76 ARG H 1 77 LEU H . . 4.550 4.519 4.294 4.619 0.069 7 0 "[ . 1]" 1
1049 1 76 ARG HA 1 76 ARG QD . . 3.910 3.000 2.110 4.122 0.212 5 0 "[ . 1]" 1
1050 1 76 ARG HA 1 76 ARG HG2 . . 4.250 3.403 2.351 4.237 . 0 0 "[ . 1]" 1
1051 1 76 ARG HA 1 76 ARG HG3 . . 3.600 3.285 2.631 3.700 0.100 9 0 "[ . 1]" 1
1052 1 76 ARG HA 1 76 ARG QG . . 3.480 2.857 2.250 3.444 . 0 0 "[ . 1]" 1
1053 1 76 ARG HA 1 77 LEU H . . 3.360 2.201 2.137 2.293 . 0 0 "[ . 1]" 1
1054 1 76 ARG HB2 1 77 LEU H . . 4.670 3.967 2.905 4.476 . 0 0 "[ . 1]" 1
1055 1 76 ARG HB3 1 77 LEU H . . 4.470 4.076 3.616 4.361 . 0 0 "[ . 1]" 1
1056 1 76 ARG QD 1 77 LEU H . . 5.500 2.964 1.948 4.779 . 0 0 "[ . 1]" 1
1057 1 76 ARG QD 1 77 LEU HG . . 5.220 4.478 2.570 5.860 0.640 5 2 "[ -+ 1]" 1
1058 1 76 ARG QG 1 77 LEU H . . 4.460 3.210 2.089 4.281 . 0 0 "[ . 1]" 1
1059 1 77 LEU H 1 77 LEU HB2 . . 4.140 3.146 2.452 3.619 . 0 0 "[ . 1]" 1
1060 1 77 LEU H 1 77 LEU HB3 . . 4.140 2.665 2.304 3.592 . 0 0 "[ . 1]" 1
1061 1 77 LEU H 1 77 LEU HG . . 4.680 3.513 1.800 4.601 . 0 0 "[ . 1]" 1
1062 1 77 LEU H 1 77 LEU QB . . 3.320 2.435 2.168 2.700 . 0 0 "[ . 1]" 1
1063 1 77 LEU H 1 77 LEU MD1 . . 4.520 3.940 3.267 4.319 . 0 0 "[ . 1]" 1
1064 1 77 LEU H 1 77 LEU MD2 . . 4.520 3.031 1.517 4.654 0.134 5 0 "[ . 1]" 1
1065 1 77 LEU H 1 77 LEU QD . . 3.810 2.760 1.516 3.978 0.168 5 0 "[ . 1]" 1
1066 1 77 LEU H 1 78 LYS H . . 4.640 4.574 4.393 4.652 0.012 4 0 "[ . 1]" 1
1067 1 77 LEU HA 1 77 LEU HG . . 3.580 3.382 2.694 3.734 0.154 3 0 "[ . 1]" 1
1068 1 77 LEU HA 1 77 LEU MD1 . . 4.640 3.264 2.059 4.110 . 0 0 "[ . 1]" 1
1069 1 77 LEU HA 1 77 LEU MD2 . . 4.640 3.593 1.958 4.003 . 0 0 "[ . 1]" 1
1070 1 77 LEU HA 1 77 LEU QD . . 3.670 2.748 1.952 3.431 . 0 0 "[ . 1]" 1
1071 1 77 LEU HA 1 78 LYS H . . 3.220 2.340 2.156 2.575 . 0 0 "[ . 1]" 1
1072 1 77 LEU HB2 1 77 LEU HG . . 2.870 2.774 2.460 3.022 0.152 2 0 "[ . 1]" 1
1073 1 77 LEU HB3 1 77 LEU HG . . 3.010 2.774 2.481 3.020 0.010 1 0 "[ . 1]" 1
1074 1 77 LEU HG 1 78 LYS H . . 3.490 3.451 1.475 4.953 1.463 10 4 "[ * . *- +]" 1
1075 1 77 LEU HG 1 78 LYS QB . . 4.310 4.761 2.950 6.540 2.230 7 5 "[ * . +*-*]" 1
1076 1 77 LEU HG 1 78 LYS QD . . 4.500 5.271 3.597 6.516 2.016 3 7 "[- + .*****]" 1
1077 1 77 LEU HG 1 78 LYS QE . . 4.560 5.329 2.976 6.535 1.975 8 6 "[ *.*-+**]" 1
1078 1 77 LEU QB 1 78 LYS H . . 3.430 2.967 2.076 3.622 0.192 6 0 "[ . 1]" 1
1079 1 77 LEU MD1 1 78 LYS H . . 4.890 3.391 1.750 4.834 . 0 0 "[ . 1]" 1
1080 1 77 LEU MD2 1 78 LYS H . . 4.890 4.235 3.173 5.004 0.114 10 0 "[ . 1]" 1
1081 1 77 LEU QD 1 78 LYS H . . 4.050 3.123 1.748 4.285 0.235 3 0 "[ . 1]" 1
1082 1 77 LEU QD 1 78 LYS QB . . 4.220 4.157 2.957 5.223 1.003 3 3 "[ + . *-1]" 1
1083 1 77 LEU QD 1 78 LYS QD . . 4.350 4.377 2.338 5.791 1.441 3 4 "[ + .* -*1]" 1
1084 1 77 LEU QD 1 78 LYS QE . . 4.610 4.281 2.574 5.731 1.121 8 2 "[ . +-1]" 1
1085 1 77 LEU QD 1 80 THR HB . . 4.300 5.188 4.160 6.542 2.242 1 5 "[+* *-* 1]" 1
1086 1 78 LYS H 1 78 LYS HB2 . . 3.650 2.346 2.135 2.529 . 0 0 "[ . 1]" 1
1087 1 78 LYS H 1 78 LYS HB3 . . 3.650 3.440 2.698 3.644 . 0 0 "[ . 1]" 1
1088 1 78 LYS H 1 78 LYS QD . . 5.010 2.519 1.514 4.661 . 0 0 "[ . 1]" 1
1089 1 78 LYS H 1 78 LYS QE . . 5.820 2.895 1.822 4.454 . 0 0 "[ . 1]" 1
1090 1 78 LYS H 1 79 GLY H . . 5.500 4.486 4.325 4.604 . 0 0 "[ . 1]" 1
1091 1 78 LYS HA 1 78 LYS HB2 . . 3.010 2.937 2.530 3.025 0.015 4 0 "[ . 1]" 1
1092 1 78 LYS HA 1 78 LYS HB3 . . 2.730 2.657 2.513 3.022 0.292 6 0 "[ . 1]" 1
1093 1 78 LYS HA 1 78 LYS QD . . 3.140 2.956 2.010 3.889 0.749 6 1 "[ .+ 1]" 1
1094 1 78 LYS HA 1 78 LYS QE . . 4.320 3.866 1.655 4.584 0.264 4 0 "[ . 1]" 1
1095 1 78 LYS HB2 1 78 LYS QD . . 3.460 2.645 2.159 2.976 . 0 0 "[ . 1]" 1
1096 1 78 LYS HB2 1 78 LYS QE . . 4.850 2.390 1.860 3.745 . 0 0 "[ . 1]" 1
1097 1 78 LYS HB2 1 79 GLY H . . 4.670 4.219 3.337 4.548 . 0 0 "[ . 1]" 1
1098 1 78 LYS HB3 1 79 GLY H . . 4.670 3.309 2.026 4.015 . 0 0 "[ . 1]" 1
1099 1 78 LYS QD 1 79 GLY H . . 5.500 4.652 3.966 5.093 . 0 0 "[ . 1]" 1
1100 1 79 GLY H 1 80 THR H . . 5.060 3.793 2.462 4.582 . 0 0 "[ . 1]" 1
1101 1 80 THR H 1 80 THR HB . . 4.170 3.281 2.758 4.030 . 0 0 "[ . 1]" 1
1102 1 80 THR H 1 81 SER H . . 4.490 3.715 2.328 4.538 0.048 2 0 "[ . 1]" 1
1103 1 80 THR HA 1 80 THR HB . . 2.400 2.497 2.387 3.005 0.605 3 1 "[ + . 1]" 1
1104 1 81 SER HA 1 81 SER HB2 . . 2.940 2.902 2.554 3.034 0.094 10 0 "[ . 1]" 1
1105 1 81 SER HA 1 81 SER HB3 . . 2.940 2.410 2.310 2.466 . 0 0 "[ . 1]" 1
1106 1 82 ASP HA 1 85 ILE MD . . 4.500 4.026 2.133 5.231 0.731 8 2 "[ .- + 1]" 1
1107 1 82 ASP HA 1 85 ILE MG . . 4.790 4.867 3.494 6.212 1.422 8 2 "[ - . + 1]" 1
1108 1 82 ASP QB 1 85 ILE MD . . 4.220 3.356 2.230 5.125 0.905 1 2 "[+- . 1]" 1
1109 1 82 ASP QB 1 85 ILE MG . . 5.270 4.244 2.468 6.300 1.030 1 1 "[+ . 1]" 1
1110 1 83 ARG H 1 83 ARG HB2 . . 4.030 3.460 2.624 4.186 0.156 9 0 "[ . 1]" 1
1111 1 83 ARG H 1 83 ARG HB3 . . 4.060 3.695 2.485 4.151 0.091 6 0 "[ . 1]" 1
1112 1 83 ARG H 1 83 ARG QD . . 3.910 4.250 2.791 4.929 1.019 8 6 "[ *-*. *+ *]" 1
1113 1 83 ARG H 1 83 ARG HG2 . . 4.390 3.823 2.359 4.818 0.428 8 0 "[ . 1]" 1
1114 1 83 ARG H 1 83 ARG HG3 . . 4.390 3.503 1.946 5.001 0.611 9 2 "[ . - +1]" 1
1115 1 83 ARG H 1 83 ARG QB . . 3.260 3.075 2.442 3.383 0.123 2 0 "[ . 1]" 1
1116 1 83 ARG H 1 84 THR H . . 4.470 3.309 1.936 4.479 0.009 6 0 "[ . 1]" 1
1117 1 83 ARG HA 1 83 ARG HB2 . . 3.020 2.821 2.305 3.024 0.004 1 0 "[ . 1]" 1
1118 1 83 ARG HA 1 83 ARG HB3 . . 2.670 2.581 2.411 3.022 0.352 7 0 "[ . 1]" 1
1119 1 83 ARG HA 1 83 ARG QD . . 4.470 4.024 3.824 4.139 . 0 0 "[ . 1]" 1
1120 1 83 ARG HA 1 83 ARG HG2 . . 3.700 2.920 2.526 3.604 . 0 0 "[ . 1]" 1
1121 1 83 ARG HA 1 83 ARG HG3 . . 4.230 3.098 2.254 4.196 . 0 0 "[ . 1]" 1
1122 1 83 ARG HB2 1 83 ARG QD . . 3.610 2.521 2.173 3.289 . 0 0 "[ . 1]" 1
1123 1 83 ARG HB2 1 83 ARG HG2 . . 2.790 2.923 2.557 3.011 0.221 4 0 "[ . 1]" 1
1124 1 83 ARG HB2 1 83 ARG HG3 . . 3.010 2.467 2.232 2.915 . 0 0 "[ . 1]" 1
1125 1 83 ARG HB2 1 84 THR H . . 3.770 2.797 1.824 4.240 0.470 9 0 "[ . 1]" 1
1126 1 83 ARG HB3 1 83 ARG QD . . 3.600 2.441 2.163 3.177 . 0 0 "[ . 1]" 1
1127 1 83 ARG HB3 1 83 ARG HG2 . . 3.000 2.497 2.220 2.998 . 0 0 "[ . 1]" 1
1128 1 83 ARG HB3 1 83 ARG HG3 . . 2.780 2.924 2.550 3.014 0.234 4 0 "[ . 1]" 1
1129 1 83 ARG HB3 1 84 THR H . . 3.770 2.917 2.169 4.067 0.297 5 0 "[ . 1]" 1
1130 1 83 ARG QD 1 84 THR H . . 3.870 3.931 2.128 5.077 1.207 6 1 "[ .+ 1]" 1
1131 1 83 ARG HG2 1 84 THR H . . 4.860 3.975 2.106 4.820 . 0 0 "[ . 1]" 1
1132 1 83 ARG HG3 1 84 THR H . . 4.390 4.117 3.324 4.524 0.134 8 0 "[ . 1]" 1
1133 1 83 ARG QB 1 84 THR H . . 3.440 2.362 1.771 3.602 0.162 9 0 "[ . 1]" 1
1134 1 84 THR H 1 84 THR HB . . 3.910 3.170 2.654 3.670 . 0 0 "[ . 1]" 1
1135 1 84 THR H 1 85 ILE H . . 2.870 2.339 1.810 3.489 0.619 8 1 "[ . + 1]" 1
1136 1 84 THR H 1 85 ILE QG . . 4.290 3.411 2.985 4.525 0.235 6 0 "[ . 1]" 1
1137 1 84 THR HA 1 85 ILE H . . 3.560 3.330 2.166 3.568 0.008 1 0 "[ . 1]" 1
1138 1 84 THR HB 1 85 ILE H . . 3.690 3.538 2.429 4.436 0.746 8 1 "[ . + 1]" 1
1139 1 84 THR MG 1 85 ILE H . . 4.610 3.103 1.422 4.304 . 0 0 "[ . 1]" 1
1140 1 84 THR MG 1 85 ILE HA . . 4.060 3.805 3.247 4.482 0.422 3 0 "[ . 1]" 1
1141 1 84 THR MG 1 85 ILE HB . . 5.010 5.578 4.944 6.365 1.355 5 6 "[ -**+ **1]" 1
1142 1 85 ILE H 1 85 ILE HB . . 3.970 3.849 3.663 4.009 0.039 3 0 "[ . 1]" 1
1143 1 85 ILE H 1 85 ILE QG . . 4.550 2.662 1.937 3.420 . 0 0 "[ . 1]" 1
1144 1 85 ILE H 1 85 ILE MD . . 5.580 4.149 3.664 4.672 . 0 0 "[ . 1]" 1
1145 1 85 ILE H 1 86 SER H . . 4.620 3.454 2.812 4.499 . 0 0 "[ . 1]" 1
1146 1 85 ILE HA 1 85 ILE MD . . 4.390 4.185 4.177 4.193 . 0 0 "[ . 1]" 1
1147 1 85 ILE HB 1 86 SER H . . 4.450 4.028 2.493 4.459 0.009 3 0 "[ . 1]" 1
1148 1 85 ILE QG 1 86 SER H . . 5.390 3.915 3.546 4.358 . 0 0 "[ . 1]" 1
1149 1 85 ILE MD 1 86 SER H . . 5.820 5.199 4.364 5.519 . 0 0 "[ . 1]" 1
1150 1 86 SER H 1 87 LYS H . . 3.180 2.535 1.553 4.406 1.226 3 1 "[ + . 1]" 1
1151 1 86 SER HA 1 86 SER HB2 . . 2.990 2.885 2.518 3.034 0.044 9 0 "[ . 1]" 1
1152 1 86 SER HA 1 86 SER HB3 . . 2.990 2.427 2.351 2.482 . 0 0 "[ . 1]" 1
1153 1 86 SER HB2 1 87 LYS H . . 4.800 3.675 2.169 4.502 . 0 0 "[ . 1]" 1
1154 1 86 SER HB3 1 87 LYS H . . 4.800 4.239 3.446 4.501 . 0 0 "[ . 1]" 1
1155 1 87 LYS H 1 87 LYS QE . . 5.500 4.562 3.731 5.877 0.377 2 0 "[ . 1]" 1
1156 1 87 LYS H 1 87 LYS HG2 . . 5.500 4.597 4.410 5.230 . 0 0 "[ . 1]" 1
1157 1 87 LYS H 1 87 LYS HG3 . . 5.500 4.690 4.332 5.207 . 0 0 "[ . 1]" 1
1158 1 87 LYS HA 1 87 LYS HB2 . . 2.860 2.496 2.405 2.594 . 0 0 "[ . 1]" 1
1159 1 87 LYS HA 1 87 LYS HB3 . . 2.920 3.024 3.011 3.029 0.109 4 0 "[ . 1]" 1
1160 1 87 LYS HA 1 87 LYS QE . . 5.500 3.918 1.453 4.983 . 0 0 "[ . 1]" 1
1161 1 87 LYS HA 1 87 LYS HG2 . . 3.510 3.128 2.549 3.787 0.277 9 0 "[ . 1]" 1
1162 1 87 LYS HA 1 87 LYS HG3 . . 3.510 2.708 2.428 3.581 0.071 2 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 55
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 386.587
_Distance_constraint_stats_list.Viol_max 1.195
_Distance_constraint_stats_list.Viol_rms 0.1948
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0703
_Distance_constraint_stats_list.Viol_average_violations_only 0.3362
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 PHE 0.497 0.441 2 0 "[ . 1]"
1 13 VAL 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 3.264 0.741 8 2 "[ - . + 1]"
1 17 VAL 3.158 0.644 1 2 "[+ . -]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.472 0.173 2 0 "[ . 1]"
1 21 LEU 2.274 0.561 6 1 "[ .+ 1]"
1 25 GLU 2.274 0.561 6 1 "[ .+ 1]"
1 26 PHE 0.000 0.000 . 0 "[ . 1]"
1 27 ARG 0.472 0.173 2 0 "[ . 1]"
1 28 VAL 1.433 0.499 4 0 "[ . 1]"
1 29 LYS 3.264 0.741 8 2 "[ - . + 1]"
1 30 LEU 2.124 0.497 10 0 "[ . 1]"
1 34 HIS 2.124 0.497 10 0 "[ . 1]"
1 36 ILE 1.433 0.499 4 0 "[ . 1]"
1 37 ILE 7.381 1.195 8 3 "[- *. + 1]"
1 38 CYS 0.000 0.000 . 0 "[ . 1]"
1 39 HIS 9.471 1.172 10 4 "[ -.* *+]"
1 43 LYS 1.768 0.648 10 1 "[ . +]"
1 44 VAL 6.143 1.079 1 4 "[+ *.- * 1]"
1 46 ARG 1.768 0.648 10 1 "[ . +]"
1 47 SER 6.143 1.079 1 4 "[+ *.- * 1]"
1 55 ASP 3.158 0.644 1 2 "[+ . -]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 59 VAL 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 0.674 0.205 8 0 "[ . 1]"
1 61 MET 0.497 0.441 2 0 "[ . 1]"
1 69 LYS 5.106 1.195 8 3 "[- *. + 1]"
1 71 GLY 3.712 1.092 4 1 "[ +. 1]"
1 72 ARG 0.674 0.205 8 0 "[ . 1]"
1 73 ILE 8.034 1.172 10 4 "[ *.- *+]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 PHE O 1 61 MET N . . 3.500 3.184 2.796 3.941 0.441 2 0 "[ . 1]" 2
2 1 11 PHE H 1 61 MET O . . 2.500 1.937 1.752 2.555 0.055 2 0 "[ . 1]" 2
3 1 11 PHE N 1 61 MET O . . 3.500 2.861 2.675 3.491 . 0 0 "[ . 1]" 2
4 1 13 VAL O 1 59 VAL H . . 2.500 1.876 1.749 2.067 . 0 0 "[ . 1]" 2
5 1 13 VAL O 1 59 VAL N . . 3.500 2.832 2.728 2.982 . 0 0 "[ . 1]" 2
6 1 13 VAL H 1 59 VAL O . . 2.500 2.040 1.758 2.307 . 0 0 "[ . 1]" 2
7 1 13 VAL N 1 59 VAL O . . 3.500 2.996 2.736 3.251 . 0 0 "[ . 1]" 2
8 1 15 GLY O 1 57 VAL H . . 2.500 1.831 1.697 2.086 . 0 0 "[ . 1]" 2
9 1 15 GLY O 1 57 VAL N . . 3.500 2.789 2.672 2.963 . 0 0 "[ . 1]" 2
10 1 15 GLY H 1 57 VAL O . . 2.500 1.934 1.677 2.361 . 0 0 "[ . 1]" 2
11 1 15 GLY N 1 57 VAL O . . 3.500 2.852 2.657 3.038 . 0 0 "[ . 1]" 2
12 1 17 VAL H 1 55 ASP O . . 2.500 2.644 2.289 3.144 0.644 1 2 "[+ . -]" 2
13 1 17 VAL N 1 55 ASP O . . 3.500 3.574 3.197 4.021 0.521 1 2 "[+ . -]" 2
14 1 16 ALA O 1 29 LYS H . . 2.500 1.992 1.785 2.400 . 0 0 "[ . 1]" 2
15 1 16 ALA O 1 29 LYS N . . 3.500 2.931 2.756 3.319 . 0 0 "[ . 1]" 2
16 1 16 ALA H 1 29 LYS O . . 2.500 2.445 1.795 3.241 0.741 8 2 "[ - . + 1]" 2
17 1 16 ALA N 1 29 LYS O . . 3.500 3.316 2.778 3.832 0.332 3 0 "[ . 1]" 2
18 1 19 ALA O 1 27 ARG H . . 2.500 1.995 1.840 2.145 . 0 0 "[ . 1]" 2
19 1 19 ALA O 1 27 ARG N . . 3.500 2.931 2.756 3.067 . 0 0 "[ . 1]" 2
20 1 19 ALA H 1 27 ARG O . . 2.500 2.456 2.122 2.673 0.173 2 0 "[ . 1]" 2
21 1 19 ALA N 1 27 ARG O . . 3.500 3.397 3.094 3.556 0.056 4 0 "[ . 1]" 2
22 1 21 LEU O 1 25 GLU H . . 2.500 2.566 2.076 3.061 0.561 6 1 "[ .+ 1]" 2
23 1 21 LEU O 1 25 GLU N . . 3.500 3.439 3.009 3.736 0.236 6 0 "[ . 1]" 2
24 1 21 LEU H 1 25 GLU O . . 2.500 1.756 1.648 1.869 . 0 0 "[ . 1]" 2
25 1 21 LEU N 1 25 GLU O . . 3.500 2.726 2.632 2.822 . 0 0 "[ . 1]" 2
26 1 26 PHE O 1 38 CYS H . . 2.500 1.843 1.726 2.230 . 0 0 "[ . 1]" 2
27 1 26 PHE O 1 38 CYS N . . 3.500 2.730 2.643 2.888 . 0 0 "[ . 1]" 2
28 1 26 PHE H 1 38 CYS O . . 2.500 1.840 1.657 2.011 . 0 0 "[ . 1]" 2
29 1 26 PHE N 1 38 CYS O . . 3.500 2.781 2.594 2.972 . 0 0 "[ . 1]" 2
30 1 18 THR H 1 27 ARG O . . 2.500 2.034 1.772 2.464 . 0 0 "[ . 1]" 2
31 1 18 THR N 1 27 ARG O . . 3.500 2.993 2.746 3.389 . 0 0 "[ . 1]" 2
32 1 28 VAL O 1 36 ILE H . . 2.500 1.960 1.674 2.326 . 0 0 "[ . 1]" 2
33 1 28 VAL O 1 36 ILE N . . 3.500 2.924 2.655 3.273 . 0 0 "[ . 1]" 2
34 1 28 VAL H 1 36 ILE O . . 2.500 2.422 2.052 2.999 0.499 4 0 "[ . 1]" 2
35 1 28 VAL N 1 36 ILE O . . 3.500 3.291 2.940 3.903 0.403 4 0 "[ . 1]" 2
36 1 30 LEU O 1 34 HIS H . . 2.500 2.608 2.200 2.997 0.497 10 0 "[ . 1]" 2
37 1 30 LEU O 1 34 HIS N . . 3.500 3.515 3.180 3.825 0.325 10 0 "[ . 1]" 2
38 1 30 LEU H 1 34 HIS O . . 2.500 1.830 1.687 2.119 . 0 0 "[ . 1]" 2
39 1 30 LEU N 1 34 HIS O . . 3.500 2.769 2.645 3.046 . 0 0 "[ . 1]" 2
40 1 39 HIS H 1 71 GLY O . . 2.500 2.197 1.738 3.042 0.542 4 1 "[ +. 1]" 2
41 1 39 HIS N 1 71 GLY O . . 3.500 3.152 2.696 4.005 0.505 4 1 "[ +. 1]" 2
42 1 37 ILE H 1 69 LYS O . . 2.500 2.734 1.995 3.695 1.195 8 3 "[- *. + 1]" 2
43 1 37 ILE N 1 69 LYS O . . 3.500 3.510 2.891 4.365 0.865 8 1 "[ . + 1]" 2
44 1 37 ILE O 1 71 GLY H . . 2.500 2.372 1.798 3.592 1.092 4 1 "[ +. 1]" 2
45 1 37 ILE O 1 71 GLY N . . 3.500 3.231 2.700 4.320 0.820 4 1 "[ +. 1]" 2
46 1 39 HIS O 1 73 ILE H . . 2.500 2.811 2.053 3.672 1.172 10 4 "[ *.- *+]" 2
47 1 39 HIS O 1 73 ILE N . . 3.500 3.729 3.015 4.555 1.055 10 3 "[ -. *+]" 2
48 1 60 GLU O 1 72 ARG H . . 2.500 2.031 1.775 2.425 . 0 0 "[ . 1]" 2
49 1 60 GLU O 1 72 ARG N . . 3.500 2.983 2.737 3.390 . 0 0 "[ . 1]" 2
50 1 60 GLU H 1 72 ARG O . . 2.500 2.116 1.817 2.705 0.205 8 0 "[ . 1]" 2
51 1 60 GLU N 1 72 ARG O . . 3.500 3.082 2.793 3.649 0.149 8 0 "[ . 1]" 2
52 1 43 LYS O 1 46 ARG H . . 2.500 2.571 2.196 3.148 0.648 10 1 "[ . +]" 2
53 1 43 LYS O 1 46 ARG N . . 3.500 3.182 2.844 3.763 0.263 10 0 "[ . 1]" 2
54 1 44 VAL O 1 47 SER H . . 2.500 2.938 2.332 3.579 1.079 1 4 "[+ -.* * 1]" 2
55 1 44 VAL O 1 47 SER N . . 3.500 3.567 3.154 4.075 0.575 6 1 "[ .+ 1]" 2
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