NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598668 |
2n93   |
25400 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n93
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 1332
_Distance_constraint_stats_list.Viol_count 2114
_Distance_constraint_stats_list.Viol_total 8599.115
_Distance_constraint_stats_list.Viol_max 1.968
_Distance_constraint_stats_list.Viol_rms 0.1979
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0646
_Distance_constraint_stats_list.Viol_average_violations_only 0.4068
_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 0.504 0.504 4 1 "[ +. 1]"
1 2 VAL 15.870 0.916 4 7 "[***+.* **1]"
1 3 GLN 3.696 0.888 5 3 "[- + * 1]"
1 4 LEU 12.867 0.939 1 6 "[+ -**** 1]"
1 5 ALA 10.490 0.435 2 0 "[ . 1]"
1 6 GLY 5.460 0.537 5 1 "[ + 1]"
1 7 THR 21.446 1.968 1 10 [+*******-*]
1 8 TYR 5.738 0.651 6 1 "[ .+ 1]"
1 9 LYS 5.024 0.923 8 5 "[ -*.* +*1]"
1 10 LEU 33.721 1.487 3 10 [**+****-**]
1 11 GLU 15.762 1.487 3 8 "[ *+*-* ***]"
1 12 LYS 11.889 0.469 5 0 "[ . 1]"
1 13 ASN 21.783 1.427 1 10 [+*******-*]
1 14 GLU 17.812 0.812 10 8 "[** *** **+]"
1 15 ASN 29.765 1.612 7 10 [-*****+***]
1 16 PHE 8.227 0.552 10 2 "[ . *+]"
1 17 GLU 21.034 0.860 6 10 [-****+****]
1 18 GLU 12.928 0.772 5 7 "[- **+ ***1]"
1 19 TYR 36.004 1.520 1 10 [+*********]
1 20 LEU 17.288 0.892 2 5 "[ +* * *-1]"
1 21 ALA 10.850 0.831 1 5 "[+ *** -]"
1 22 ALA 27.809 1.202 4 10 [**-+******]
1 23 LEU 36.970 1.202 4 10 [***+****-*]
1 24 GLY 2.963 0.552 8 1 "[ . + 1]"
1 25 VAL 12.531 0.779 2 9 "[*+ ***-***]"
1 26 PRO 2.723 0.422 9 0 "[ . 1]"
1 27 GLN 14.402 0.938 10 6 "[ * -* * *+]"
1 28 ASP 2.206 0.554 5 1 "[ + 1]"
1 29 SER 15.261 1.152 3 10 [*-+*******]
1 30 ILE 23.538 1.699 6 10 [**-**+****]
1 31 LYS 40.338 1.152 3 10 [**+******-]
1 32 LYS 54.906 1.773 6 10 [*****+*-**]
1 33 ALA 46.488 1.198 4 10 [***+*****-]
1 34 ASN 27.800 1.773 6 10 [**-**+****]
1 35 SER 11.188 0.950 3 6 "[* +** - *]"
1 36 PRO 3.749 0.670 4 3 "[ -+. *1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
1 38 VAL 3.458 0.674 1 3 "[+ *. -1]"
1 39 VAL 21.318 1.208 1 10 [+******-**]
1 40 TYR 0.032 0.032 1 0 "[ . 1]"
1 41 GLU 12.632 1.052 9 10 [-*******+*]
1 42 ILE 0.223 0.180 6 0 "[ . 1]"
1 43 ILE 10.614 0.658 7 2 "[- . + 1]"
1 44 VAL 10.940 0.939 1 5 "[+ -*** 1]"
1 45 ASN 25.602 1.211 2 10 [*+*-******]
1 46 GLY 11.356 1.211 2 10 [*+****-***]
1 47 ASN 7.172 0.916 4 7 "[***+.* -*1]"
1 48 LYS 14.922 0.961 1 7 "[+**-* **]"
1 49 PHE 2.630 0.281 5 0 "[ . 1]"
1 50 THR 6.696 0.658 7 1 "[ . + 1]"
1 51 PHE 13.223 1.052 9 8 "[* ***** +*]"
1 52 LYS 2.943 0.455 2 0 "[ . 1]"
1 53 SER 14.730 0.967 6 9 "[*** *+**-*]"
1 54 SER 22.052 1.208 1 9 "[+** ***-**]"
1 55 SER 0.000 0.000 . 0 "[ . 1]"
1 56 GLY 3.588 0.685 6 3 "[ *.+ -]"
1 57 MET 3.685 0.685 6 3 "[ *.+ -]"
1 58 ASN 0.096 0.096 9 0 "[ . 1]"
1 59 SER 7.559 0.578 8 1 "[ . + 1]"
1 60 THR 8.076 0.519 10 2 "[ . -+]"
1 61 LEU 16.963 0.868 4 8 "[** +-* ***]"
1 62 ILE 5.849 0.714 8 1 "[ . + 1]"
1 63 VAL 8.787 0.714 8 1 "[ . + 1]"
1 64 ASN 1.038 0.377 1 0 "[ . 1]"
1 65 GLU 21.960 1.137 3 10 [**+***-***]
1 66 GLU 4.741 1.005 4 6 "[* *+. * -*]"
1 67 VAL 2.482 0.712 10 1 "[ . +]"
1 68 GLU 0.515 0.243 10 0 "[ . 1]"
1 69 GLU 1.438 0.450 4 0 "[ . 1]"
1 70 VAL 3.222 0.686 2 1 "[ + . 1]"
1 71 LEU 14.075 0.943 6 7 "[* **.+ **-]"
1 72 GLY 19.153 1.955 10 8 "[ **** *-*+]"
1 73 THR 11.339 0.735 4 8 "[ **+** **-]"
1 74 VAL 19.133 1.955 10 8 "[-**** ** +]"
1 75 ASN 6.886 0.793 3 4 "[* + . -*1]"
1 76 MET 13.473 0.943 6 8 "[*****+ *-]"
1 77 ASN 7.849 0.724 9 3 "[ * .- +1]"
1 78 ILE 8.708 0.761 6 6 "[** *.+ *-]"
1 79 LYS 5.324 0.652 4 1 "[ +. 1]"
1 80 SER 12.159 1.205 8 10 [*******+*-]
1 81 PHE 13.974 0.968 4 9 "[***+***- *]"
1 82 THR 11.043 0.752 10 8 "[-* *****+]"
1 83 LYS 17.937 1.137 3 10 [**+*****-*]
1 84 LEU 28.361 1.187 8 10 [*******+**]
1 85 GLU 10.702 1.018 4 8 "[***+.* **-]"
1 86 GLY 1.037 0.352 8 0 "[ . 1]"
1 87 SER 4.011 0.769 5 3 "[ * + - 1]"
1 88 LYS 11.364 0.912 6 5 "[* .+ -**]"
1 89 LEU 31.338 1.187 8 10 [***-***+**]
1 90 VAL 0.673 0.262 7 0 "[ . 1]"
1 91 VAL 29.613 0.976 6 10 [*****+**-*]
1 92 ASN 22.257 0.976 6 10 [-****+****]
1 93 SER 3.156 0.618 9 2 "[ . +-]"
1 94 GLU 22.464 1.205 8 10 [*******+*-]
1 95 LEU 23.775 0.733 9 10 [********+*]
1 96 PRO 7.596 0.666 5 9 "[** *+****-]"
1 97 ASP 2.321 0.733 9 1 "[ . +1]"
1 98 GLY 0.530 0.236 2 0 "[ . 1]"
1 99 ARG 5.684 0.551 9 2 "[ . +-]"
1 100 LYS 0.000 0.000 . 0 "[ . 1]"
1 101 GLY 1.846 0.518 10 1 "[ . +]"
1 102 THR 1.428 0.468 4 0 "[ . 1]"
1 103 ARG 3.292 0.422 10 0 "[ . 1]"
1 104 THR 9.227 0.569 2 2 "[ + - 1]"
1 105 TYR 7.225 0.698 8 4 "[ * .- +*1]"
1 106 GLU 10.652 0.698 8 5 "[ - .* +**]"
1 107 PHE 0.040 0.040 9 0 "[ . 1]"
1 108 CYS 0.763 0.763 3 1 "[ + . 1]"
1 109 ASP 0.279 0.221 5 0 "[ . 1]"
1 110 LYS 4.134 0.536 3 2 "[ + . -]"
1 111 GLY 9.554 0.825 8 8 "[ **-** +**]"
1 112 PHE 19.710 1.377 1 7 "[+****- *1]"
1 113 VAL 17.582 1.044 3 10 [**+******-]
1 114 LEU 24.136 1.427 1 9 [+***.***-*]
1 115 THR 25.233 1.327 5 10 [****+*-***]
1 116 MET 5.148 0.576 1 4 "[+* *- 1]"
1 117 CYS 5.077 0.720 3 3 "[* + . -1]"
1 118 ALA 21.080 1.281 3 9 "[**+*** *-*]"
1 119 GLY 0.000 0.000 . 0 "[ . 1]"
1 120 ASP 8.321 1.281 3 9 "[**+*** *-*]"
1 121 MET 6.709 0.807 2 2 "[ +- . 1]"
1 122 VAL 9.622 0.958 9 8 "[* ******+1]"
1 123 ALA 7.880 0.720 3 4 "[*-+ . *1]"
1 124 LYS 56.622 1.612 7 10 [******+***]
1 125 ARG 27.231 1.252 1 10 [+******-**]
1 126 TYR 11.144 0.625 6 1 "[ .+ 1]"
1 127 PHE 35.094 1.394 10 10 [*****-***+]
1 128 ILE 32.350 1.394 10 10 [*****-***+]
1 129 ARG 26.096 1.968 1 10 [+**-******]
1 130 THR 5.461 0.651 6 4 "[* - .+ *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 QB 1 2 VAL H 2.500 . 3.200 2.515 1.856 3.704 0.504 4 1 "[ +. 1]" 1
2 1 2 VAL HA 1 3 GLN H 2.500 . 3.200 2.272 2.190 2.393 . 0 0 "[ . 1]" 1
3 1 2 VAL H 1 2 VAL HB 2.500 . 3.200 2.762 2.115 3.290 0.090 7 0 "[ . 1]" 1
4 1 4 LEU HA 1 5 ALA H 2.500 . 3.200 3.559 3.472 3.616 0.416 7 0 "[ . 1]" 1
5 1 4 LEU QB 1 5 ALA H 2.500 . 3.200 2.580 1.997 3.487 0.287 10 0 "[ . 1]" 1
6 1 5 ALA H 1 5 ALA HA 2.500 . 3.200 2.984 2.965 2.998 . 0 0 "[ . 1]" 1
7 1 5 ALA H 1 5 ALA MB 2.500 . 3.200 2.476 2.241 2.594 . 0 0 "[ . 1]" 1
8 1 6 GLY QA 1 7 THR H 2.500 . 3.200 2.139 2.034 2.288 . 0 0 "[ . 1]" 1
9 1 7 THR H 1 7 THR HA 2.500 . 3.200 2.964 2.932 3.000 . 0 0 "[ . 1]" 1
10 1 7 THR MG 1 8 TYR H 2.500 . 3.200 2.825 2.271 3.641 0.441 10 0 "[ . 1]" 1
11 1 8 TYR H 1 8 TYR HA 2.500 . 3.200 2.969 2.947 2.998 . 0 0 "[ . 1]" 1
12 1 8 TYR HA 1 130 THR H 2.500 . 3.200 3.296 2.827 3.851 0.651 6 1 "[ .+ 1]" 1
13 1 8 TYR H 1 8 TYR QB 2.500 . 3.200 2.972 2.828 3.109 . 0 0 "[ . 1]" 1
14 1 8 TYR QB 1 9 LYS H 2.500 . 3.200 3.034 2.697 3.264 0.064 4 0 "[ . 1]" 1
15 1 9 LYS H 1 9 LYS HA 2.500 . 3.200 2.967 2.876 2.995 . 0 0 "[ . 1]" 1
16 1 9 LYS H 1 9 LYS QG 2.500 . 3.200 3.095 2.843 3.298 0.098 2 0 "[ . 1]" 1
17 1 10 LEU HA 1 11 GLU H 2.500 . 3.200 2.149 2.069 2.227 . 0 0 "[ . 1]" 1
18 1 10 LEU HA 1 128 ILE H 2.500 . 3.200 3.518 3.066 3.842 0.642 3 3 "[ -+ . * 1]" 1
19 1 10 LEU H 1 10 LEU QB 2.500 . 3.200 2.198 2.043 2.385 . 0 0 "[ . 1]" 1
20 1 10 LEU H 1 10 LEU HG 2.500 . 3.200 4.342 3.938 4.592 1.392 2 10 [*+******-*] 1
21 1 10 LEU HG 1 11 GLU H 2.500 . 3.200 4.101 3.593 4.687 1.487 3 8 "[ *+*-* ***]" 1
22 1 11 GLU HA 1 12 LYS H 2.500 . 3.200 3.610 3.577 3.669 0.469 5 0 "[ . 1]" 1
23 1 11 GLU QB 1 128 ILE H 2.500 . 3.200 3.186 2.566 3.560 0.360 1 0 "[ . 1]" 1
24 1 11 GLU QG 1 128 ILE H 2.500 . 3.200 2.710 1.780 3.434 0.234 3 0 "[ . 1]" 1
25 1 12 LYS H 1 12 LYS HA 2.500 . 3.200 2.980 2.946 2.998 . 0 0 "[ . 1]" 1
26 1 13 ASN QB 1 13 ASN QD 2.500 . 3.200 2.208 2.100 2.271 . 0 0 "[ . 1]" 1
27 1 13 ASN QB 1 14 GLU H 2.500 . 3.200 3.453 3.140 3.825 0.625 5 2 "[ +- 1]" 1
28 1 14 GLU H 1 14 GLU HA 2.500 . 3.200 2.942 2.865 2.967 . 0 0 "[ . 1]" 1
29 1 14 GLU H 1 14 GLU QB 2.500 . 3.200 3.087 2.899 3.265 0.065 4 0 "[ . 1]" 1
30 1 14 GLU QB 1 15 ASN H 2.500 . 3.200 2.680 2.390 2.943 . 0 0 "[ . 1]" 1
31 1 14 GLU QB 1 124 LYS H 2.500 . 3.200 3.650 2.948 4.012 0.812 10 4 "[* *. - +]" 1
32 1 15 ASN HA 1 15 ASN QD 2.500 . 3.200 2.481 1.986 3.148 . 0 0 "[ . 1]" 1
33 1 15 ASN QB 1 15 ASN QD 2.500 . 3.200 2.453 2.256 2.789 . 0 0 "[ . 1]" 1
34 1 15 ASN QB 1 16 PHE H 2.500 . 3.200 3.433 3.328 3.521 0.321 2 0 "[ . 1]" 1
35 1 15 ASN H 1 15 ASN QD 2.500 . 3.200 3.705 3.210 4.085 0.885 9 6 "[***-. +*]" 1
36 1 15 ASN H 1 17 GLU H 2.500 . 3.200 3.710 3.343 4.060 0.860 6 6 "[-* *.+* *]" 1
37 1 17 GLU H 1 17 GLU QB 2.500 . 3.200 2.495 2.304 2.646 . 0 0 "[ . 1]" 1
38 1 17 GLU H 1 17 GLU QG 2.500 . 3.200 2.419 2.098 2.895 . 0 0 "[ . 1]" 1
39 1 18 GLU HA 1 19 TYR H 2.500 . 3.200 3.659 3.528 3.708 0.508 7 2 "[- . + 1]" 1
40 1 18 GLU HA 1 22 ALA H 2.500 . 3.200 3.694 3.442 3.819 0.619 8 5 "[ -** +*1]" 1
41 1 19 TYR H 1 19 TYR HA 2.500 . 3.200 2.927 2.881 2.998 . 0 0 "[ . 1]" 1
42 1 19 TYR HA 1 23 LEU H 2.500 . 3.200 4.112 3.471 4.384 1.184 9 9 "[* ****-*+*]" 1
43 1 19 TYR H 1 19 TYR HD1 2.500 . 3.200 2.227 1.966 2.560 . 0 0 "[ . 1]" 1
44 1 19 TYR H 1 19 TYR QE 2.500 . 3.200 4.170 3.676 4.720 1.520 1 9 "[+-**** ***]" 1
45 1 20 LEU HA 1 21 ALA H 2.500 . 3.200 3.608 3.526 3.652 0.452 6 0 "[ . 1]" 1
46 1 21 ALA HA 1 23 LEU H 2.500 . 3.200 3.785 3.569 4.031 0.831 1 5 "[+ *** -]" 1
47 1 21 ALA MB 1 22 ALA H 2.500 . 3.200 2.704 2.507 2.939 . 0 0 "[ . 1]" 1
48 1 22 ALA H 1 22 ALA HA 2.500 . 3.200 2.850 2.792 2.897 . 0 0 "[ . 1]" 1
49 1 22 ALA H 1 22 ALA MB 2.500 . 3.200 2.224 2.172 2.258 . 0 0 "[ . 1]" 1
50 1 22 ALA MB 1 23 LEU H 2.500 . 3.200 2.902 2.717 3.222 0.022 9 0 "[ . 1]" 1
51 1 23 LEU H 1 23 LEU QB 2.500 . 3.200 2.717 2.452 2.980 . 0 0 "[ . 1]" 1
52 1 23 LEU QB 1 24 GLY H 2.500 . 3.200 3.046 2.416 3.583 0.383 8 0 "[ . 1]" 1
53 1 22 ALA H 1 23 LEU HG 2.500 . 3.200 4.259 4.049 4.402 1.202 4 10 [***+*-****] 1
54 1 23 LEU H 1 23 LEU HG 2.500 . 3.200 2.237 2.045 2.576 . 0 0 "[ . 1]" 1
55 1 26 PRO HA 1 27 GLN H 2.500 . 3.200 2.287 2.225 2.378 . 0 0 "[ . 1]" 1
56 1 26 PRO QB 1 27 GLN H 2.500 . 3.200 3.202 3.025 3.381 0.181 1 0 "[ . 1]" 1
57 1 27 GLN H 1 27 GLN QB 2.500 . 3.200 2.389 2.093 2.741 . 0 0 "[ . 1]" 1
58 1 30 ILE MG 1 32 LYS H 2.500 . 3.200 4.400 4.023 4.899 1.699 6 10 [***-*+****] 1
59 1 31 LYS HA 1 32 LYS H 2.500 . 3.200 3.513 3.385 3.635 0.435 6 0 "[ . 1]" 1
60 1 31 LYS HA 1 33 ALA H 2.500 . 3.200 3.892 3.407 4.214 1.014 1 8 "[+ **.****-]" 1
61 1 31 LYS HA 1 34 ASN H 2.500 . 3.200 3.652 3.387 3.955 0.755 6 5 "[**- .+ * 1]" 1
62 1 29 SER H 1 31 LYS H 2.500 . 3.200 3.999 3.507 4.352 1.152 3 8 "[* +***** -]" 1
63 1 31 LYS H 1 32 LYS H 2.500 . 3.200 2.682 2.542 2.865 . 0 0 "[ . 1]" 1
64 1 31 LYS H 1 33 ALA H 2.500 . 3.200 3.876 3.653 4.054 0.854 10 8 "[****.- **+]" 1
65 1 32 LYS H 1 32 LYS HA 2.500 . 3.200 2.951 2.896 2.992 . 0 0 "[ . 1]" 1
66 1 32 LYS HA 1 33 ALA H 2.500 . 3.200 3.423 3.277 3.546 0.346 3 0 "[ . 1]" 1
67 1 32 LYS H 1 32 LYS QG 2.500 . 3.200 2.290 2.023 2.673 . 0 0 "[ . 1]" 1
68 1 30 ILE H 1 32 LYS H 2.500 . 3.200 4.024 3.594 4.586 1.386 6 9 [**-*.+****] 1
69 1 32 LYS H 1 34 ASN H 2.500 . 3.200 4.422 3.955 4.973 1.773 6 10 [*****+*-**] 1
70 1 33 ALA HA 1 34 ASN H 2.500 . 3.200 3.536 3.491 3.584 0.384 5 0 "[ . 1]" 1
71 1 33 ALA MB 1 34 ASN H 2.500 . 3.200 2.279 1.969 2.568 . 0 0 "[ . 1]" 1
72 1 33 ALA H 1 34 ASN H 2.500 . 3.200 2.478 2.059 2.837 . 0 0 "[ . 1]" 1
73 1 33 ALA H 1 35 SER H 2.500 . 3.200 3.460 2.944 4.023 0.823 3 2 "[- + . 1]" 1
74 1 34 ASN H 1 34 ASN HA 2.500 . 3.200 2.945 2.850 2.996 . 0 0 "[ . 1]" 1
75 1 34 ASN HA 1 34 ASN QD 2.500 . 3.200 2.538 1.869 3.010 . 0 0 "[ . 1]" 1
76 1 34 ASN H 1 34 ASN QB 2.500 . 3.200 2.309 2.209 2.458 . 0 0 "[ . 1]" 1
77 1 34 ASN QB 1 34 ASN QD 2.500 . 3.200 2.628 2.389 2.884 . 0 0 "[ . 1]" 1
78 1 34 ASN H 1 35 SER H 2.500 . 3.200 2.647 2.414 3.067 . 0 0 "[ . 1]" 1
79 1 38 VAL QG 1 39 VAL H 2.500 . 3.200 2.621 2.336 2.858 . 0 0 "[ . 1]" 1
80 1 39 VAL H 1 54 SER H 2.500 . 3.200 4.021 3.590 4.408 1.208 1 9 "[+** ****-*]" 1
81 1 40 TYR HA 1 41 GLU H 2.500 . 3.200 2.328 2.277 2.426 . 0 0 "[ . 1]" 1
82 1 41 GLU H 1 41 GLU HA 2.500 . 3.200 2.972 2.920 3.008 . 0 0 "[ . 1]" 1
83 1 8 TYR H 1 43 ILE HA 2.500 . 3.200 3.463 3.374 3.601 0.401 6 0 "[ . 1]" 1
84 1 45 ASN QB 1 45 ASN QD 2.500 . 3.200 2.359 2.130 2.653 . 0 0 "[ . 1]" 1
85 1 45 ASN H 1 46 GLY QA 2.500 . 3.200 4.336 4.232 4.411 1.211 2 10 [*+****-***] 1
86 1 47 ASN HA 1 47 ASN QD 2.500 . 3.200 2.919 2.227 3.241 0.041 4 0 "[ . 1]" 1
87 1 45 ASN H 1 48 LYS QB 2.500 . 3.200 3.419 3.132 3.709 0.509 4 1 "[ +. 1]" 1
88 1 45 ASN QD 1 48 LYS QB 2.500 . 3.200 2.655 1.821 3.194 . 0 0 "[ . 1]" 1
89 1 49 PHE HA 1 50 THR H 2.500 . 3.200 2.170 2.112 2.269 . 0 0 "[ . 1]" 1
90 1 49 PHE QB 1 50 THR H 2.500 . 3.200 3.265 2.875 3.481 0.281 5 0 "[ . 1]" 1
91 1 50 THR MG 1 51 PHE H 2.500 . 3.200 2.527 2.339 2.861 . 0 0 "[ . 1]" 1
92 1 51 PHE H 1 51 PHE HA 2.500 . 3.200 2.963 2.931 2.990 . 0 0 "[ . 1]" 1
93 1 52 LYS HA 1 53 SER H 2.500 . 3.200 2.263 2.181 2.312 . 0 0 "[ . 1]" 1
94 1 52 LYS QB 1 53 SER H 2.500 . 3.200 2.697 2.438 3.001 . 0 0 "[ . 1]" 1
95 1 41 GLU H 1 52 LYS QG 2.500 . 3.200 2.322 2.135 2.555 . 0 0 "[ . 1]" 1
96 1 52 LYS QG 1 53 SER H 2.500 . 3.200 3.420 2.987 3.655 0.455 2 0 "[ . 1]" 1
97 1 41 GLU H 1 53 SER HA 2.500 . 3.200 3.829 3.506 4.167 0.967 6 7 "[*** -+** 1]" 1
98 1 53 SER H 1 53 SER QB 2.500 . 3.200 3.086 2.845 3.237 0.037 1 0 "[ . 1]" 1
99 1 53 SER QB 1 54 SER H 2.500 . 3.200 3.061 2.867 3.319 0.119 3 0 "[ . 1]" 1
100 1 53 SER H 1 59 SER H 2.500 . 3.200 3.387 3.145 3.778 0.578 8 1 "[ . + 1]" 1
101 1 55 SER H 1 55 SER HA 2.500 . 3.200 2.909 2.860 2.968 . 0 0 "[ . 1]" 1
102 1 55 SER HA 1 56 GLY H 2.500 . 3.200 2.872 2.578 3.091 . 0 0 "[ . 1]" 1
103 1 55 SER H 1 55 SER QB 2.500 . 3.200 2.688 2.223 2.923 . 0 0 "[ . 1]" 1
104 1 56 GLY H 1 56 GLY QA 2.500 . 3.200 2.336 2.250 2.415 . 0 0 "[ . 1]" 1
105 1 56 GLY H 1 57 MET H 2.500 . 3.200 2.892 2.421 3.317 0.117 9 0 "[ . 1]" 1
106 1 58 ASN HA 1 59 SER H 2.500 . 3.200 2.372 2.205 2.549 . 0 0 "[ . 1]" 1
107 1 59 SER HA 1 60 THR H 2.500 . 3.200 2.265 2.199 2.336 . 0 0 "[ . 1]" 1
108 1 59 SER H 1 59 SER QB 2.500 . 3.200 2.493 2.289 2.665 . 0 0 "[ . 1]" 1
109 1 59 SER QB 1 60 THR H 2.500 . 3.200 3.365 3.126 3.678 0.478 9 0 "[ . 1]" 1
110 1 53 SER H 1 60 THR HA 2.500 . 3.200 3.583 3.388 3.719 0.519 10 2 "[ . -+]" 1
111 1 60 THR H 1 60 THR HB 2.500 . 3.200 3.357 3.155 3.530 0.330 6 0 "[ . 1]" 1
112 1 60 THR H 1 60 THR MG 2.500 . 3.200 2.524 2.317 2.718 . 0 0 "[ . 1]" 1
113 1 51 PHE H 1 61 LEU H 2.500 . 3.200 3.212 3.012 3.404 0.204 10 0 "[ . 1]" 1
114 1 51 PHE H 1 62 ILE HA 2.500 . 3.200 3.252 3.161 3.437 0.237 3 0 "[ . 1]" 1
115 1 62 ILE HB 1 63 VAL H 2.500 . 3.200 2.132 1.794 3.608 0.408 2 0 "[ . 1]" 1
116 1 62 ILE MD 1 63 VAL H 2.500 . 3.200 3.133 1.659 3.914 0.714 8 1 "[ . + 1]" 1
117 1 62 ILE MG 1 63 VAL H 2.500 . 3.200 3.288 1.998 3.693 0.493 2 0 "[ . 1]" 1
118 1 49 PHE H 1 63 VAL QG 2.500 . 3.200 2.484 1.811 3.283 0.083 5 0 "[ . 1]" 1
119 1 63 VAL H 1 63 VAL QG 2.500 . 3.200 2.078 1.844 3.108 . 0 0 "[ . 1]" 1
120 1 65 GLU QB 1 66 GLU H 2.500 . 3.200 1.923 1.631 2.248 0.169 6 0 "[ . 1]" 1
121 1 65 GLU QG 1 66 GLU H 2.500 . 3.200 3.521 2.430 4.205 1.005 4 6 "[* *+. * -*]" 1
122 1 68 GLU H 1 68 GLU HA 2.500 . 3.200 2.984 2.950 3.004 . 0 0 "[ . 1]" 1
123 1 72 GLY QA 1 73 THR H 2.500 . 3.200 2.539 2.268 2.854 . 0 0 "[ . 1]" 1
124 1 33 ALA H 1 73 THR HB 2.500 . 3.200 3.492 3.011 3.866 0.666 8 3 "[ * - + 1]" 1
125 1 73 THR H 1 73 THR HB 2.500 . 3.200 2.928 2.424 3.436 0.236 1 0 "[ . 1]" 1
126 1 74 VAL QG 1 75 ASN H 2.500 . 3.200 2.889 2.329 3.716 0.516 1 1 "[+ . 1]" 1
127 1 75 ASN H 1 75 ASN QB 2.500 . 3.200 3.143 2.670 3.402 0.202 7 0 "[ . 1]" 1
128 1 75 ASN QB 1 75 ASN QD 2.500 . 3.200 2.390 2.165 2.629 . 0 0 "[ . 1]" 1
129 1 79 LYS H 1 94 GLU H 2.500 . 3.200 3.413 3.269 3.640 0.440 4 0 "[ . 1]" 1
130 1 81 PHE H 1 81 PHE HA 2.500 . 3.200 2.990 2.973 3.005 . 0 0 "[ . 1]" 1
131 1 81 PHE H 1 81 PHE QB 2.500 . 3.200 2.388 2.291 2.502 . 0 0 "[ . 1]" 1
132 1 81 PHE QB 1 92 ASN H 2.500 . 3.200 2.799 2.409 3.164 . 0 0 "[ . 1]" 1
133 1 81 PHE H 1 92 ASN H 2.500 . 3.200 2.891 2.457 3.215 0.015 5 0 "[ . 1]" 1
134 1 82 THR HA 1 83 LYS H 2.500 . 3.200 2.137 2.088 2.211 . 0 0 "[ . 1]" 1
135 1 82 THR HA 1 92 ASN H 2.500 . 3.200 3.756 3.620 3.901 0.701 9 8 "[-* ****+*]" 1
136 1 82 THR HB 1 83 LYS H 2.500 . 3.200 2.912 2.575 3.253 0.053 9 0 "[ . 1]" 1
137 1 83 LYS H 1 83 LYS HA 2.500 . 3.200 2.919 2.849 2.964 . 0 0 "[ . 1]" 1
138 1 84 LEU QD 1 89 LEU H 2.500 . 3.200 3.713 3.479 3.976 0.776 8 5 "[-* * *+ 1]" 1
139 1 85 GLU H 1 86 GLY H 2.500 . 3.200 3.067 2.720 3.552 0.352 8 0 "[ . 1]" 1
140 1 87 SER H 1 88 LYS H 2.500 . 3.200 2.802 2.466 3.453 0.253 3 0 "[ . 1]" 1
141 1 88 LYS H 1 88 LYS QE 2.500 . 3.200 3.308 2.859 4.112 0.912 6 1 "[ .+ 1]" 1
142 1 89 LEU H 1 89 LEU HA 2.500 . 3.200 2.987 2.966 3.007 . 0 0 "[ . 1]" 1
143 1 89 LEU HA 1 90 VAL H 2.500 . 3.200 2.262 2.172 2.327 . 0 0 "[ . 1]" 1
144 1 90 VAL HA 1 91 VAL H 2.500 . 3.200 2.414 2.340 2.460 . 0 0 "[ . 1]" 1
145 1 83 LYS H 1 90 VAL H 2.500 . 3.200 2.916 2.727 3.036 . 0 0 "[ . 1]" 1
146 1 81 PHE H 1 91 VAL HA 2.500 . 3.200 3.897 3.452 4.168 0.968 4 8 "[* *+**** -]" 1
147 1 83 LYS H 1 91 VAL HA 2.500 . 3.200 3.358 3.030 3.539 0.339 5 0 "[ . 1]" 1
148 1 91 VAL H 1 91 VAL HA 2.500 . 3.200 2.899 2.825 2.955 . 0 0 "[ . 1]" 1
149 1 91 VAL HA 1 92 ASN H 2.500 . 3.200 2.211 2.164 2.295 . 0 0 "[ . 1]" 1
150 1 91 VAL HB 1 92 ASN H 2.500 . 3.200 3.613 3.300 4.084 0.884 10 4 "[ * - *+]" 1
151 1 81 PHE H 1 91 VAL QG 2.500 . 3.200 3.404 3.021 3.739 0.539 7 1 "[ . + 1]" 1
152 1 91 VAL QG 1 92 ASN H 2.500 . 3.200 3.535 3.448 3.695 0.495 7 0 "[ . 1]" 1
153 1 91 VAL H 1 92 ASN H 2.500 . 3.200 3.993 3.816 4.176 0.976 6 10 [*****+***-] 1
154 1 92 ASN H 1 92 ASN HA 2.500 . 3.200 2.920 2.900 2.954 . 0 0 "[ . 1]" 1
155 1 92 ASN H 1 92 ASN QB 2.500 . 3.200 2.342 2.064 2.729 . 0 0 "[ . 1]" 1
156 1 92 ASN QB 1 92 ASN QD 2.500 . 3.200 2.216 2.103 2.420 . 0 0 "[ . 1]" 1
157 1 94 GLU HA 1 101 GLY H 2.500 . 3.200 3.041 2.775 3.349 0.149 9 0 "[ . 1]" 1
158 1 94 GLU H 1 94 GLU QB 2.500 . 3.200 2.877 2.775 2.976 . 0 0 "[ . 1]" 1
159 1 94 GLU H 1 94 GLU QG 2.500 . 3.200 2.167 2.026 2.285 . 0 0 "[ . 1]" 1
160 1 95 LEU QB 1 97 ASP H 2.500 . 3.200 3.430 3.182 3.933 0.733 9 1 "[ . +1]" 1
161 1 95 LEU H 1 95 LEU QD 2.500 . 3.200 2.503 2.309 2.596 . 0 0 "[ . 1]" 1
162 1 95 LEU H 1 96 PRO QD 2.500 . 3.200 3.780 3.542 3.866 0.666 5 9 "[** *+****-]" 1
163 1 99 ARG H 1 99 ARG QB 2.500 . 3.200 2.822 2.326 3.190 . 0 0 "[ . 1]" 1
164 1 99 ARG H 1 99 ARG QD 2.500 . 3.200 2.470 1.946 3.675 0.475 9 0 "[ . 1]" 1
165 1 99 ARG H 1 99 ARG QG 2.500 . 3.200 2.422 1.991 3.137 . 0 0 "[ . 1]" 1
166 1 93 SER H 1 102 THR HA 2.500 . 3.200 2.326 2.180 2.464 . 0 0 "[ . 1]" 1
167 1 102 THR H 1 102 THR MG 2.500 . 3.200 3.201 2.799 3.668 0.468 4 0 "[ . 1]" 1
168 1 103 ARG QB 1 104 THR H 2.500 . 3.200 2.958 2.408 3.363 0.163 6 0 "[ . 1]" 1
169 1 103 ARG QG 1 104 THR H 2.500 . 3.200 3.339 2.770 3.622 0.422 10 0 "[ . 1]" 1
170 1 91 VAL H 1 104 THR HA 2.500 . 3.200 2.881 2.347 3.393 0.193 6 0 "[ . 1]" 1
171 1 104 THR H 1 104 THR HA 2.500 . 3.200 2.954 2.926 2.995 . 0 0 "[ . 1]" 1
172 1 104 THR H 1 104 THR HB 2.500 . 3.200 3.217 2.736 3.506 0.306 6 0 "[ . 1]" 1
173 1 104 THR H 1 104 THR MG 2.500 . 3.200 2.804 2.388 3.671 0.471 9 0 "[ . 1]" 1
174 1 104 THR H 1 115 THR H 2.500 . 3.200 2.984 2.533 3.125 . 0 0 "[ . 1]" 1
175 1 105 TYR HA 1 106 GLU H 2.500 . 3.200 2.276 2.191 2.466 . 0 0 "[ . 1]" 1
176 1 105 TYR QB 1 106 GLU H 2.500 . 3.200 3.691 3.568 3.898 0.698 8 4 "[ - .* +*1]" 1
177 1 89 LEU H 1 106 GLU HA 2.500 . 3.200 3.331 2.980 3.635 0.435 1 0 "[ . 1]" 1
178 1 106 GLU H 1 106 GLU HA 2.500 . 3.200 2.921 2.841 2.992 . 0 0 "[ . 1]" 1
179 1 106 GLU HA 1 107 PHE H 2.500 . 3.200 2.278 2.129 2.529 . 0 0 "[ . 1]" 1
180 1 107 PHE H 1 107 PHE QB 2.500 . 3.200 2.842 2.080 3.240 0.040 9 0 "[ . 1]" 1
181 1 109 ASP QB 1 110 LYS H 2.500 . 3.200 2.760 2.305 3.421 0.221 5 0 "[ . 1]" 1
182 1 110 LYS QB 1 111 GLY H 2.500 . 3.200 3.586 3.388 3.736 0.536 3 2 "[ + . -]" 1
183 1 111 GLY QA 1 112 PHE H 2.500 . 3.200 2.083 1.979 2.194 . 0 0 "[ . 1]" 1
184 1 111 GLY QA 1 129 ARG H 2.500 . 3.200 3.770 3.452 4.025 0.825 8 7 "[ * -** +**]" 1
185 1 112 PHE H 1 112 PHE QB 2.500 . 3.200 2.410 2.038 3.003 . 0 0 "[ . 1]" 1
186 1 112 PHE QB 1 127 PHE H 2.500 . 3.200 2.873 2.252 3.397 0.197 3 0 "[ . 1]" 1
187 1 113 VAL HA 1 127 PHE H 2.500 . 3.200 3.534 3.343 3.842 0.642 4 1 "[ +. 1]" 1
188 1 113 VAL QG 1 127 PHE H 2.500 . 3.200 4.063 3.754 4.244 1.044 3 10 [*-+*******] 1
189 1 114 LEU QB 1 125 ARG H 2.500 . 3.200 3.425 2.847 4.206 1.006 1 2 "[+ -. 1]" 1
190 1 114 LEU H 1 125 ARG H 2.500 . 3.200 3.153 2.740 3.437 0.237 7 0 "[ . 1]" 1
191 1 115 THR HA 1 124 LYS H 2.500 . 3.200 4.151 3.729 4.527 1.327 5 10 [****+****-] 1
192 1 115 THR HA 1 125 ARG H 2.500 . 3.200 3.472 3.383 3.626 0.426 8 0 "[ . 1]" 1
193 1 115 THR MG 1 116 MET H 2.500 . 3.200 3.249 2.676 3.776 0.576 1 2 "[+ .- 1]" 1
194 1 104 THR H 1 116 MET HA 2.500 . 3.200 3.517 3.351 3.769 0.569 2 2 "[ + - 1]" 1
195 1 117 CYS HA 1 123 ALA H 2.500 . 3.200 3.567 3.153 3.920 0.720 3 3 "[* + . -1]" 1
196 1 117 CYS QB 1 118 ALA H 2.500 . 3.200 3.266 2.812 3.479 0.279 2 0 "[ . 1]" 1
197 1 118 ALA HA 1 120 ASP H 2.500 . 3.200 4.028 3.591 4.481 1.281 3 9 "[**+*** *-*]" 1
198 1 118 ALA H 1 121 MET H 2.500 . 3.200 3.524 3.212 3.922 0.722 3 1 "[ + . 1]" 1
199 1 120 ASP H 1 120 ASP HA 2.500 . 3.200 2.924 2.843 2.987 . 0 0 "[ . 1]" 1
200 1 120 ASP QB 1 121 MET H 2.500 . 3.200 2.821 2.372 3.009 . 0 0 "[ . 1]" 1
201 1 118 ALA H 1 122 VAL HA 2.500 . 3.200 3.010 2.544 3.710 0.510 3 1 "[ + . 1]" 1
202 1 122 VAL HA 1 123 ALA H 2.500 . 3.200 2.321 2.122 2.646 . 0 0 "[ . 1]" 1
203 1 122 VAL HB 1 123 ALA H 2.500 . 3.200 2.802 2.103 3.549 0.349 7 0 "[ . 1]" 1
204 1 122 VAL QG 1 123 ALA H 2.500 . 3.200 3.112 2.304 3.550 0.350 8 0 "[ . 1]" 1
205 1 123 ALA H 1 123 ALA HA 2.500 . 3.200 2.945 2.886 2.985 . 0 0 "[ . 1]" 1
206 1 123 ALA HA 1 124 LYS H 2.500 . 3.200 2.382 2.170 2.485 . 0 0 "[ . 1]" 1
207 1 19 TYR H 1 123 ALA MB 2.500 . 3.200 3.169 2.099 3.893 0.693 3 1 "[ + . 1]" 1
208 1 123 ALA MB 1 124 LYS H 2.500 . 3.200 2.656 2.308 3.296 0.096 1 0 "[ . 1]" 1
209 1 124 LYS H 1 124 LYS HA 2.500 . 3.200 2.913 2.813 2.965 . 0 0 "[ . 1]" 1
210 1 124 LYS HA 1 125 ARG H 2.500 . 3.200 2.129 2.024 2.235 . 0 0 "[ . 1]" 1
211 1 124 LYS H 1 124 LYS QB 2.500 . 3.200 3.346 3.081 3.513 0.313 8 0 "[ . 1]" 1
212 1 124 LYS QB 1 125 ARG H 2.500 . 3.200 3.261 2.848 3.613 0.413 10 0 "[ . 1]" 1
213 1 124 LYS H 1 124 LYS QD 2.500 . 3.200 3.448 2.703 4.157 0.957 1 1 "[+ . 1]" 1
214 1 124 LYS H 1 124 LYS QG 2.500 . 3.200 2.665 2.151 2.958 . 0 0 "[ . 1]" 1
215 1 14 GLU H 1 125 ARG HA 2.500 . 3.200 2.242 1.777 2.594 0.023 10 0 "[ . 1]" 1
216 1 125 ARG H 1 125 ARG HA 2.500 . 3.200 2.978 2.946 3.006 . 0 0 "[ . 1]" 1
217 1 125 ARG H 1 125 ARG QB 2.500 . 3.200 2.987 2.487 3.297 0.097 3 0 "[ . 1]" 1
218 1 125 ARG H 1 125 ARG QD 2.500 . 3.200 3.351 2.621 3.744 0.544 8 3 "[* .- + 1]" 1
219 1 125 ARG H 1 125 ARG QG 2.500 . 3.200 2.607 2.197 3.545 0.345 2 0 "[ . 1]" 1
220 1 124 LYS H 1 125 ARG H 2.500 . 3.200 4.047 3.625 4.452 1.252 1 9 [+**-*****1] 1
221 1 114 LEU H 1 126 TYR HA 2.500 . 3.200 2.891 2.608 3.188 . 0 0 "[ . 1]" 1
222 1 126 TYR HA 1 127 PHE H 2.500 . 3.200 2.020 1.964 2.092 . 0 0 "[ . 1]" 1
223 1 126 TYR QB 1 127 PHE H 2.500 . 3.200 2.916 2.565 3.143 . 0 0 "[ . 1]" 1
224 1 11 GLU H 1 127 PHE HA 2.500 . 3.200 2.265 1.924 2.567 . 0 0 "[ . 1]" 1
225 1 127 PHE HA 1 128 ILE H 2.500 . 3.200 2.291 2.233 2.374 . 0 0 "[ . 1]" 1
226 1 112 PHE H 1 127 PHE QB 2.500 . 3.200 3.594 3.298 4.211 1.011 4 2 "[ -+. 1]" 1
227 1 127 PHE QB 1 128 ILE H 2.500 . 3.200 3.307 3.152 3.387 0.187 8 0 "[ . 1]" 1
228 1 127 PHE H 1 128 ILE H 2.500 . 3.200 4.476 4.327 4.594 1.394 10 10 [*-*******+] 1
229 1 112 PHE H 1 128 ILE HA 2.500 . 3.200 3.463 2.995 4.301 1.101 4 2 "[ -+. 1]" 1
230 1 128 ILE H 1 128 ILE HA 2.500 . 3.200 2.974 2.934 3.008 . 0 0 "[ . 1]" 1
231 1 128 ILE HA 1 129 ARG H 2.500 . 3.200 2.332 2.228 2.464 . 0 0 "[ . 1]" 1
232 1 128 ILE H 1 128 ILE HB 2.500 . 3.200 2.895 2.748 3.032 . 0 0 "[ . 1]" 1
233 1 112 PHE H 1 128 ILE QG 2.500 . 3.200 3.403 2.954 4.577 1.377 1 1 "[+ . 1]" 1
234 1 128 ILE H 1 128 ILE QG 2.500 . 3.200 2.899 2.700 3.212 0.012 3 0 "[ . 1]" 1
235 1 129 ARG H 1 129 ARG QD 2.500 . 3.200 2.686 2.058 3.416 0.216 10 0 "[ . 1]" 1
236 1 130 THR H 1 130 THR MG 2.500 . 3.200 2.631 2.162 3.438 0.238 9 0 "[ . 1]" 1
237 1 9 LYS HA 1 41 GLU HA 2.500 . 3.200 2.825 2.526 3.248 0.048 9 0 "[ . 1]" 1
238 1 25 VAL QG 1 74 VAL HB 2.500 . 3.200 2.876 2.332 3.673 0.473 1 0 "[ . 1]" 1
239 1 28 ASP HA 1 31 LYS QB 2.500 . 3.200 2.849 2.345 3.536 0.336 5 0 "[ . 1]" 1
240 1 33 ALA MB 1 73 THR MG 2.500 . 3.200 3.382 3.064 3.914 0.714 6 1 "[ .+ 1]" 1
241 1 40 TYR HA 1 53 SER HA 2.500 . 3.200 2.372 2.195 2.631 . 0 0 "[ . 1]" 1
242 1 43 ILE QG 1 50 THR HB 2.500 . 3.200 2.101 1.845 3.565 0.365 7 0 "[ . 1]" 1
243 1 52 LYS HA 1 60 THR HA 2.500 . 3.200 2.221 1.998 2.369 . 0 0 "[ . 1]" 1
244 1 70 VAL HA 1 77 ASN QB 2.500 . 3.200 3.439 3.154 3.886 0.686 2 1 "[ + . 1]" 1
245 1 66 GLU HA 1 81 PHE HA 2.500 . 3.200 2.233 2.053 2.519 . 0 0 "[ . 1]" 1
246 1 84 LEU HA 1 84 LEU QB 2.500 . 3.200 2.541 2.479 2.568 . 0 0 "[ . 1]" 1
247 1 84 LEU QD 1 89 LEU QD 2.500 . 3.200 2.026 1.918 2.146 . 0 0 "[ . 1]" 1
248 1 84 LEU HA 1 89 LEU HA 2.500 . 3.200 2.172 2.006 2.319 . 0 0 "[ . 1]" 1
249 1 84 LEU HA 1 89 LEU QB 2.500 . 3.200 3.613 3.341 4.036 0.836 4 2 "[ +. -1]" 1
250 1 82 THR MG 1 91 VAL QG 2.500 . 3.200 2.022 1.970 2.080 . 0 0 "[ . 1]" 1
251 1 94 GLU HA 1 100 LYS HA 2.500 . 3.200 2.853 2.643 3.072 . 0 0 "[ . 1]" 1
252 1 23 LEU QB 1 95 LEU QB 2.500 . 3.200 3.608 3.321 3.784 0.584 5 3 "[ - + *]" 1
253 1 23 LEU HG 1 95 LEU HG 2.500 . 3.200 3.737 3.557 3.896 0.696 8 7 "[** *.* +-*]" 1
254 1 92 ASN HA 1 102 THR HA 2.500 . 3.200 2.203 1.961 2.346 . 0 0 "[ . 1]" 1
255 1 92 ASN HA 1 102 THR MG 2.500 . 3.200 2.900 2.520 3.541 0.341 5 0 "[ . 1]" 1
256 1 103 ARG HA 1 116 MET HA 2.500 . 3.200 2.021 1.899 2.232 . 0 0 "[ . 1]" 1
257 1 113 VAL HA 1 126 TYR HA 2.500 . 3.200 2.310 2.101 2.526 . 0 0 "[ . 1]" 1
258 1 13 ASN HA 1 125 ARG HA 2.500 . 3.200 2.385 2.122 2.685 . 0 0 "[ . 1]" 1
259 1 44 VAL HA 1 49 PHE HA 2.500 . 3.200 2.462 2.372 2.589 . 0 0 "[ . 1]" 1
260 1 6 GLY H 1 44 VAL QG 2.500 . 3.200 3.227 2.860 3.737 0.537 5 1 "[ + 1]" 1
261 1 53 SER HA 1 54 SER H 2.500 . 3.200 2.214 2.108 2.302 . 0 0 "[ . 1]" 1
262 1 54 SER H 1 54 SER HA 2.500 . 3.200 2.997 2.985 3.017 . 0 0 "[ . 1]" 1
263 1 54 SER HA 1 59 SER H 2.500 . 3.200 3.584 3.402 3.683 0.483 2 0 "[ . 1]" 1
264 1 54 SER H 1 54 SER QB 2.500 . 3.200 2.528 2.347 2.950 . 0 0 "[ . 1]" 1
265 1 80 SER HA 1 94 GLU H 2.500 . 3.200 3.425 3.124 3.612 0.412 8 0 "[ . 1]" 1
266 1 41 GLU H 1 52 LYS H 2.500 . 3.200 3.019 2.555 3.462 0.262 9 0 "[ . 1]" 1
267 1 67 VAL H 1 80 SER H 2.500 . 3.200 3.036 2.902 3.307 0.107 7 0 "[ . 1]" 1
268 1 42 ILE HA 1 51 PHE HA 2.500 . 3.200 2.190 2.023 2.324 . 0 0 "[ . 1]" 1
269 1 41 GLU HA 1 42 ILE H 2.500 . 3.200 2.181 2.133 2.238 . 0 0 "[ . 1]" 1
270 1 42 ILE HA 1 43 ILE H 2.500 . 3.200 2.101 2.062 2.198 . 0 0 "[ . 1]" 1
271 1 43 ILE HA 1 44 VAL H 2.500 . 3.200 2.246 2.086 2.490 . 0 0 "[ . 1]" 1
272 1 44 VAL HA 1 45 ASN H 2.500 . 3.200 1.951 1.869 2.040 . 0 0 "[ . 1]" 1
273 1 48 LYS HA 1 49 PHE H 2.500 . 3.200 2.228 2.150 2.293 . 0 0 "[ . 1]" 1
274 1 50 THR HA 1 51 PHE H 2.500 . 3.200 2.216 2.167 2.267 . 0 0 "[ . 1]" 1
275 1 51 PHE HA 1 52 LYS H 2.500 . 3.200 2.204 2.155 2.251 . 0 0 "[ . 1]" 1
276 1 60 THR HA 1 61 LEU H 2.500 . 3.200 2.076 2.023 2.129 . 0 0 "[ . 1]" 1
277 1 61 LEU HA 1 62 ILE H 2.500 . 3.200 2.361 2.087 2.547 . 0 0 "[ . 1]" 1
278 1 66 GLU HA 1 67 VAL H 2.500 . 3.200 2.340 2.294 2.425 . 0 0 "[ . 1]" 1
279 1 67 VAL HA 1 68 GLU H 2.500 . 3.200 2.307 2.181 2.372 . 0 0 "[ . 1]" 1
280 1 68 GLU HA 1 69 GLU H 2.500 . 3.200 2.248 2.172 2.384 . 0 0 "[ . 1]" 1
281 1 69 GLU HA 1 70 VAL H 2.500 . 3.200 2.159 2.079 2.364 . 0 0 "[ . 1]" 1
282 1 70 VAL HA 1 71 LEU H 2.500 . 3.200 2.239 2.077 2.465 . 0 0 "[ . 1]" 1
283 1 76 MET HA 1 77 ASN H 2.500 . 3.200 2.093 2.015 2.179 . 0 0 "[ . 1]" 1
284 1 77 ASN HA 1 78 ILE H 2.500 . 3.200 2.187 2.131 2.256 . 0 0 "[ . 1]" 1
285 1 78 ILE HA 1 79 LYS H 2.500 . 3.200 2.357 2.143 2.545 . 0 0 "[ . 1]" 1
286 1 79 LYS HA 1 80 SER H 2.500 . 3.200 2.265 2.148 2.336 . 0 0 "[ . 1]" 1
287 1 80 SER HA 1 81 PHE H 2.500 . 3.200 2.197 2.148 2.258 . 0 0 "[ . 1]" 1
288 1 92 ASN HA 1 93 SER H 2.500 . 3.200 2.214 2.111 2.307 . 0 0 "[ . 1]" 1
289 1 93 SER HA 1 94 GLU H 2.500 . 3.200 2.144 2.083 2.226 . 0 0 "[ . 1]" 1
290 1 7 THR HA 1 8 TYR H 2.500 . 3.200 2.159 2.020 2.313 . 0 0 "[ . 1]" 1
291 1 8 TYR HA 1 9 LYS H 2.500 . 3.200 2.178 2.113 2.311 . 0 0 "[ . 1]" 1
292 1 9 LYS HA 1 10 LEU H 2.500 . 3.200 2.606 2.454 2.822 . 0 0 "[ . 1]" 1
293 1 12 LYS HA 1 13 ASN H 2.500 . 3.200 2.308 2.143 2.481 . 0 0 "[ . 1]" 1
294 1 13 ASN HA 1 14 GLU H 2.500 . 3.200 2.267 2.145 2.407 . 0 0 "[ . 1]" 1
295 1 125 ARG HA 1 126 TYR H 2.500 . 3.200 2.512 2.185 2.726 . 0 0 "[ . 1]" 1
296 1 121 MET HA 1 122 VAL H 2.500 . 3.200 2.653 2.543 2.743 . 0 0 "[ . 1]" 1
297 1 117 CYS HA 1 118 ALA H 2.500 . 3.200 2.136 2.049 2.211 . 0 0 "[ . 1]" 1
298 1 115 THR HA 1 116 MET H 2.500 . 3.200 2.303 2.153 2.455 . 0 0 "[ . 1]" 1
299 1 114 LEU HA 1 115 THR H 2.500 . 3.200 2.253 2.126 2.444 . 0 0 "[ . 1]" 1
300 1 113 VAL HA 1 114 LEU H 2.500 . 3.200 2.041 1.957 2.106 . 0 0 "[ . 1]" 1
301 1 112 PHE HA 1 113 VAL H 2.500 . 3.200 2.253 2.179 2.398 . 0 0 "[ . 1]" 1
302 1 107 PHE HA 1 108 CYS H 2.500 . 3.200 2.256 2.029 3.005 . 0 0 "[ . 1]" 1
303 1 104 THR HA 1 105 TYR H 2.500 . 3.200 2.170 2.092 2.277 . 0 0 "[ . 1]" 1
304 1 103 ARG HA 1 104 THR H 2.500 . 3.200 2.299 2.224 2.472 . 0 0 "[ . 1]" 1
305 1 102 THR HA 1 103 ARG H 2.500 . 3.200 2.139 2.028 2.380 . 0 0 "[ . 1]" 1
306 1 101 GLY QA 1 102 THR H 2.500 . 3.200 2.254 2.189 2.324 . 0 0 "[ . 1]" 1
307 1 100 LYS HA 1 101 GLY H 2.500 . 3.200 2.389 2.167 2.519 . 0 0 "[ . 1]" 1
308 1 94 GLU HA 1 95 LEU H 2.500 . 3.200 2.083 1.998 2.139 . 0 0 "[ . 1]" 1
309 1 88 LYS HA 1 89 LEU H 2.500 . 3.200 2.279 2.148 2.495 . 0 0 "[ . 1]" 1
310 1 84 LEU HA 1 85 GLU H 2.500 . 3.200 2.145 2.087 2.254 . 0 0 "[ . 1]" 1
311 1 83 LYS HA 1 84 LEU H 2.500 . 3.200 2.191 2.076 2.279 . 0 0 "[ . 1]" 1
312 1 81 PHE HA 1 82 THR H 2.500 . 3.200 2.193 2.125 2.247 . 0 0 "[ . 1]" 1
313 1 10 LEU HA 1 127 PHE HA 2.500 . 3.200 2.131 1.980 2.405 . 0 0 "[ . 1]" 1
314 1 7 THR MG 1 43 ILE MG 2.500 . 3.200 2.370 1.924 3.502 0.302 1 0 "[ . 1]" 1
315 1 27 GLN HA 1 30 ILE MG 2.500 . 3.200 2.146 1.811 2.712 . 0 0 "[ . 1]" 1
316 1 43 ILE H 1 50 THR HB 2.500 . 3.200 3.163 2.416 3.858 0.658 7 1 "[ . + 1]" 1
317 1 103 ARG QG 1 116 MET HA 2.500 . 3.200 2.749 1.917 3.458 0.258 1 0 "[ . 1]" 1
318 1 70 VAL QG 1 77 ASN QB 2.500 . 3.200 2.339 1.977 3.493 0.293 2 0 "[ . 1]" 1
319 1 15 ASN HA 1 124 LYS H 2.500 . 3.200 4.606 4.230 4.812 1.612 7 10 [***-**+***] 1
320 1 85 GLU H 1 88 LYS H 2.500 . 3.200 3.452 3.296 3.829 0.629 1 1 "[+ . 1]" 1
321 1 52 LYS QB 1 60 THR HA 2.500 . 3.200 2.299 2.113 2.488 . 0 0 "[ . 1]" 1
322 1 5 ALA HA 1 6 GLY H 2.500 . 3.200 3.590 3.491 3.635 0.435 2 0 "[ . 1]" 1
323 1 39 VAL HA 1 40 TYR H 2.500 . 3.200 2.165 2.008 2.294 . 0 0 "[ . 1]" 1
324 1 45 ASN HA 1 46 GLY H 2.500 . 3.200 2.489 2.274 2.809 . 0 0 "[ . 1]" 1
325 1 62 ILE HA 1 63 VAL H 2.500 . 3.200 2.823 2.535 3.469 0.269 2 0 "[ . 1]" 1
326 1 2 VAL QG 1 3 GLN H 2.500 . 3.200 2.360 2.123 2.722 . 0 0 "[ . 1]" 1
327 1 4 LEU MD2 1 5 ALA H 2.500 . 3.200 3.341 2.932 3.598 0.398 9 0 "[ . 1]" 1
328 1 32 LYS H 1 33 ALA MB 2.500 . 3.200 4.025 3.575 4.398 1.198 4 9 "[ **+***-**]" 1
329 1 63 VAL QG 1 64 ASN H 2.500 . 3.200 2.589 2.170 2.821 . 0 0 "[ . 1]" 1
330 1 71 LEU QD 1 76 MET H 2.500 . 3.200 3.600 2.187 4.143 0.943 6 5 "[* * .+ *-]" 1
331 1 80 SER H 1 94 GLU QG 2.500 . 3.200 4.172 3.877 4.405 1.205 8 10 [*******+*-] 1
332 1 95 LEU MD2 1 101 GLY H 2.500 . 3.200 2.613 2.345 2.905 . 0 0 "[ . 1]" 1
333 1 106 GLU H 1 113 VAL HB 2.500 . 3.200 3.456 3.205 3.717 0.517 10 1 "[ . +]" 1
334 1 71 LEU HB2 1 74 VAL QG 2.500 . 3.200 2.062 1.954 2.151 . 0 0 "[ . 1]" 1
335 1 2 VAL QG 1 48 LYS HB2 2.500 . 3.200 3.436 2.557 4.000 0.800 3 3 "[ *+ . -1]" 1
336 1 5 ALA MB 1 44 VAL MG2 2.500 . 3.200 2.300 2.013 2.702 . 0 0 "[ . 1]" 1
337 1 9 LYS HG2 1 39 VAL QG 2.500 . 3.200 3.474 2.888 4.123 0.923 8 3 "[ *.- + 1]" 1
338 1 10 LEU HG 1 36 PRO QB 2.500 . 3.200 3.327 2.694 3.870 0.670 4 3 "[ -+. *1]" 1
339 1 12 LYS HA 1 36 PRO QG 2.500 . 3.200 2.889 2.040 3.646 0.446 8 0 "[ . 1]" 1
340 1 20 LEU QD 1 25 VAL QG 2.500 . 3.200 2.247 1.907 2.707 . 0 0 "[ . 1]" 1
341 1 25 VAL QG 1 33 ALA MB 2.500 . 3.200 3.540 3.053 3.979 0.779 2 4 "[ + *. - *]" 1
342 1 10 LEU HG 1 38 VAL HB 2.500 . 3.200 3.213 2.565 3.874 0.674 1 3 "[+ *. -1]" 1
343 1 33 ALA MB 1 71 LEU QD 2.500 . 3.200 2.948 2.137 3.782 0.582 1 1 "[+ . 1]" 1
344 1 79 LYS QB 1 94 GLU QG 2.500 . 3.200 1.989 1.861 2.111 . 0 0 "[ . 1]" 1
345 1 79 LYS QE 1 94 GLU QG 2.500 . 3.200 3.255 3.016 3.671 0.471 5 0 "[ . 1]" 1
346 1 113 VAL HA 1 126 TYR HB2 2.500 . 3.200 3.399 3.171 3.825 0.625 6 1 "[ .+ 1]" 1
347 1 115 THR HB 1 124 LYS QD 2.500 . 3.200 3.938 3.222 4.381 1.181 3 8 "[ *+** -***]" 1
348 1 11 GLU QG 1 128 ILE HG13 2.500 . 3.200 2.542 2.297 3.239 0.039 1 0 "[ . 1]" 1
349 1 2 VAL H 1 2 VAL QG 3.500 . 4.300 2.492 1.959 3.159 . 0 0 "[ . 1]" 1
350 1 3 GLN H 1 3 GLN QB 3.500 . 4.300 2.662 2.555 2.772 . 0 0 "[ . 1]" 1
351 1 5 ALA MB 1 6 GLY H 3.500 . 4.300 2.284 1.896 2.783 . 0 0 "[ . 1]" 1
352 1 7 THR H 1 7 THR HB 3.500 . 4.300 3.020 2.534 3.901 . 0 0 "[ . 1]" 1
353 1 7 THR H 1 7 THR MG 3.500 . 4.300 3.490 2.472 4.000 . 0 0 "[ . 1]" 1
354 1 9 LYS HA 1 42 ILE H 3.500 . 4.300 3.604 3.348 3.816 . 0 0 "[ . 1]" 1
355 1 11 GLU QB 1 12 LYS H 3.500 . 4.300 2.584 2.148 3.610 . 0 0 "[ . 1]" 1
356 1 12 LYS H 1 12 LYS QB 3.500 . 4.300 2.497 2.136 2.730 . 0 0 "[ . 1]" 1
357 1 14 GLU HA 1 15 ASN H 3.500 . 4.300 2.363 2.256 2.463 . 0 0 "[ . 1]" 1
358 1 14 GLU H 1 124 LYS H 3.500 . 4.300 4.459 4.161 4.761 0.461 1 0 "[ . 1]" 1
359 1 15 ASN HA 1 16 PHE H 3.500 . 4.300 3.310 3.163 3.370 . 0 0 "[ . 1]" 1
360 1 16 PHE HA 1 17 GLU H 3.500 . 4.300 3.553 3.504 3.620 . 0 0 "[ . 1]" 1
361 1 16 PHE H 1 16 PHE QB 3.500 . 4.300 2.469 2.153 2.607 . 0 0 "[ . 1]" 1
362 1 16 PHE QB 1 17 GLU H 3.500 . 4.300 3.218 2.464 3.593 . 0 0 "[ . 1]" 1
363 1 16 PHE H 1 17 GLU H 3.500 . 4.300 2.720 2.469 2.987 . 0 0 "[ . 1]" 1
364 1 17 GLU HA 1 19 TYR H 3.500 . 4.300 4.738 3.861 5.065 0.765 2 5 "[-+ . ** *]" 1
365 1 17 GLU HA 1 20 LEU H 3.500 . 4.300 3.754 3.421 4.013 . 0 0 "[ . 1]" 1
366 1 17 GLU QB 1 18 GLU H 3.500 . 4.300 3.521 3.000 3.803 . 0 0 "[ . 1]" 1
367 1 18 GLU H 1 18 GLU QB 3.500 . 4.300 2.247 1.947 2.492 . 0 0 "[ . 1]" 1
368 1 18 GLU QB 1 19 TYR H 3.500 . 4.300 2.750 2.388 3.291 . 0 0 "[ . 1]" 1
369 1 17 GLU H 1 18 GLU H 3.500 . 4.300 2.941 2.759 3.186 . 0 0 "[ . 1]" 1
370 1 19 TYR HA 1 22 ALA H 3.500 . 4.300 3.238 2.944 3.519 . 0 0 "[ . 1]" 1
371 1 17 GLU H 1 19 TYR H 3.500 . 4.300 4.738 4.077 5.087 0.787 7 3 "[ * -. + 1]" 1
372 1 20 LEU HA 1 22 ALA H 3.500 . 4.300 4.678 4.424 5.163 0.863 2 1 "[ + . 1]" 1
373 1 20 LEU HA 1 24 GLY H 3.500 . 4.300 4.421 3.862 4.852 0.552 8 1 "[ . + 1]" 1
374 1 20 LEU QB 1 21 ALA H 3.500 . 4.300 2.856 2.056 3.107 . 0 0 "[ . 1]" 1
375 1 21 ALA HA 1 22 ALA H 3.500 . 4.300 3.619 3.580 3.650 . 0 0 "[ . 1]" 1
376 1 21 ALA HA 1 24 GLY H 3.500 . 4.300 2.812 2.467 3.080 . 0 0 "[ . 1]" 1
377 1 19 TYR H 1 21 ALA H 3.500 . 4.300 4.164 3.707 4.592 0.292 2 0 "[ . 1]" 1
378 1 23 LEU HA 1 24 GLY H 3.500 . 4.300 3.438 3.280 3.550 . 0 0 "[ . 1]" 1
379 1 22 ALA H 1 23 LEU H 3.500 . 4.300 2.768 2.640 2.873 . 0 0 "[ . 1]" 1
380 1 25 VAL H 1 25 VAL QG 3.500 . 4.300 2.200 2.013 2.448 . 0 0 "[ . 1]" 1
381 1 27 GLN HA 1 29 SER H 3.500 . 4.300 4.252 3.750 4.628 0.328 1 0 "[ . 1]" 1
382 1 27 GLN QB 1 28 ASP H 3.500 . 4.300 3.363 2.435 3.724 . 0 0 "[ . 1]" 1
383 1 28 ASP H 1 28 ASP QB 3.500 . 4.300 2.410 2.083 2.932 . 0 0 "[ . 1]" 1
384 1 29 SER H 1 29 SER QB 3.500 . 4.300 2.433 2.116 2.665 . 0 0 "[ . 1]" 1
385 1 30 ILE HB 1 31 LYS H 3.500 . 4.300 3.496 2.979 3.910 . 0 0 "[ . 1]" 1
386 1 30 ILE H 1 30 ILE MD 3.500 . 4.300 3.989 3.553 4.529 0.229 2 0 "[ . 1]" 1
387 1 30 ILE QG 1 31 LYS H 3.500 . 4.300 4.281 3.834 4.541 0.241 10 0 "[ . 1]" 1
388 1 30 ILE H 1 30 ILE MG 3.500 . 4.300 2.782 2.017 3.498 . 0 0 "[ . 1]" 1
389 1 31 LYS HA 1 35 SER H 3.500 . 4.300 4.202 3.391 4.918 0.618 3 2 "[ + . - 1]" 1
390 1 31 LYS H 1 31 LYS QB 3.500 . 4.300 2.369 2.168 2.834 . 0 0 "[ . 1]" 1
391 1 31 LYS QB 1 32 LYS H 3.500 . 4.300 2.996 2.586 3.252 . 0 0 "[ . 1]" 1
392 1 31 LYS H 1 31 LYS QD 3.500 . 4.300 3.479 2.665 4.279 . 0 0 "[ . 1]" 1
393 1 31 LYS H 1 31 LYS QG 3.500 . 4.300 2.547 2.180 3.159 . 0 0 "[ . 1]" 1
394 1 32 LYS HA 1 35 SER H 3.500 . 4.300 3.604 3.181 3.908 . 0 0 "[ . 1]" 1
395 1 32 LYS H 1 32 LYS QB 3.500 . 4.300 2.611 2.420 2.883 . 0 0 "[ . 1]" 1
396 1 32 LYS H 1 32 LYS QD 3.500 . 4.300 4.053 3.245 4.330 0.030 5 0 "[ . 1]" 1
397 1 32 LYS QG 1 33 ALA H 3.500 . 4.300 3.147 2.497 3.886 . 0 0 "[ . 1]" 1
398 1 34 ASN HA 1 35 SER H 3.500 . 4.300 3.126 2.792 3.419 . 0 0 "[ . 1]" 1
399 1 35 SER H 1 35 SER QB 3.500 . 4.300 2.445 2.103 2.837 . 0 0 "[ . 1]" 1
400 1 38 VAL HB 1 39 VAL H 3.500 . 4.300 4.186 3.673 4.370 0.070 9 0 "[ . 1]" 1
401 1 38 VAL H 1 38 VAL QG 3.500 . 4.300 2.108 1.869 2.229 . 0 0 "[ . 1]" 1
402 1 39 VAL H 1 39 VAL HB 3.500 . 4.300 2.427 2.330 2.696 . 0 0 "[ . 1]" 1
403 1 39 VAL H 1 39 VAL QG 3.500 . 4.300 2.323 2.165 2.495 . 0 0 "[ . 1]" 1
404 1 39 VAL QG 1 40 TYR H 3.500 . 4.300 3.214 2.932 3.507 . 0 0 "[ . 1]" 1
405 1 40 TYR H 1 40 TYR QB 3.500 . 4.300 2.490 2.385 2.602 . 0 0 "[ . 1]" 1
406 1 40 TYR QB 1 41 GLU H 3.500 . 4.300 3.495 2.760 4.039 . 0 0 "[ . 1]" 1
407 1 42 ILE H 1 42 ILE HB 3.500 . 4.300 3.283 2.627 3.752 . 0 0 "[ . 1]" 1
408 1 43 ILE H 1 43 ILE MG 3.500 . 4.300 2.543 1.988 2.897 . 0 0 "[ . 1]" 1
409 1 44 VAL H 1 44 VAL HB 3.500 . 4.300 3.897 3.805 4.048 . 0 0 "[ . 1]" 1
410 1 44 VAL H 1 44 VAL QG 3.500 . 4.300 2.259 2.096 2.485 . 0 0 "[ . 1]" 1
411 1 44 VAL QG 1 45 ASN H 3.500 . 4.300 3.395 3.297 3.451 . 0 0 "[ . 1]" 1
412 1 45 ASN HA 1 45 ASN QD 3.500 . 4.300 3.833 3.664 4.083 . 0 0 "[ . 1]" 1
413 1 48 LYS H 1 48 LYS QB 3.500 . 4.300 2.824 2.477 3.020 . 0 0 "[ . 1]" 1
414 1 50 THR H 1 50 THR HB 3.500 . 4.300 2.898 2.740 3.033 . 0 0 "[ . 1]" 1
415 1 41 GLU H 1 51 PHE HA 3.500 . 4.300 4.794 4.224 5.352 1.052 9 6 "[ *-* * +*]" 1
416 1 52 LYS HA 1 61 LEU H 3.500 . 4.300 3.230 2.932 3.530 . 0 0 "[ . 1]" 1
417 1 56 GLY H 1 57 MET QB 3.500 . 4.300 4.629 4.218 4.985 0.685 6 3 "[ *.+ -]" 1
418 1 57 MET H 1 57 MET QB 3.500 . 4.300 2.294 2.206 2.392 . 0 0 "[ . 1]" 1
419 1 57 MET QG 1 58 ASN H 3.500 . 4.300 3.483 2.679 4.396 0.096 9 0 "[ . 1]" 1
420 1 58 ASN H 1 58 ASN QB 3.500 . 4.300 2.423 2.251 2.909 . 0 0 "[ . 1]" 1
421 1 58 ASN QB 1 59 SER H 3.500 . 4.300 3.945 3.687 4.139 . 0 0 "[ . 1]" 1
422 1 60 THR MG 1 61 LEU H 3.500 . 4.300 3.945 3.607 4.245 . 0 0 "[ . 1]" 1
423 1 61 LEU H 1 61 LEU QB 3.500 . 4.300 3.105 2.837 3.220 . 0 0 "[ . 1]" 1
424 1 61 LEU H 1 61 LEU QD 3.500 . 4.300 2.890 2.755 3.070 . 0 0 "[ . 1]" 1
425 1 62 ILE H 1 62 ILE MD 3.500 . 4.300 3.492 2.256 3.948 . 0 0 "[ . 1]" 1
426 1 62 ILE H 1 62 ILE MG 3.500 . 4.300 3.141 2.243 3.906 . 0 0 "[ . 1]" 1
427 1 63 VAL HA 1 64 ASN H 3.500 . 4.300 2.202 2.156 2.269 . 0 0 "[ . 1]" 1
428 1 64 ASN H 1 64 ASN QB 3.500 . 4.300 3.115 2.679 3.379 . 0 0 "[ . 1]" 1
429 1 65 GLU H 1 65 GLU QG 3.500 . 4.300 3.089 2.537 3.615 . 0 0 "[ . 1]" 1
430 1 66 GLU H 1 66 GLU QB 3.500 . 4.300 2.993 2.460 3.385 . 0 0 "[ . 1]" 1
431 1 66 GLU QB 1 67 VAL H 3.500 . 4.300 2.733 2.433 3.480 . 0 0 "[ . 1]" 1
432 1 67 VAL H 1 67 VAL HB 3.500 . 4.300 3.204 3.020 3.807 . 0 0 "[ . 1]" 1
433 1 67 VAL HB 1 68 GLU H 3.500 . 4.300 3.947 2.700 4.195 . 0 0 "[ . 1]" 1
434 1 67 VAL QG 1 68 GLU H 3.500 . 4.300 2.246 1.957 3.175 . 0 0 "[ . 1]" 1
435 1 68 GLU H 1 68 GLU QB 3.500 . 4.300 2.718 2.414 3.033 . 0 0 "[ . 1]" 1
436 1 68 GLU QB 1 69 GLU H 3.500 . 4.300 3.104 2.704 3.548 . 0 0 "[ . 1]" 1
437 1 68 GLU H 1 68 GLU QG 3.500 . 4.300 3.032 2.199 4.187 . 0 0 "[ . 1]" 1
438 1 68 GLU QG 1 69 GLU H 3.500 . 4.300 3.759 2.078 4.543 0.243 10 0 "[ . 1]" 1
439 1 69 GLU H 1 69 GLU QB 3.500 . 4.300 3.206 2.820 3.476 . 0 0 "[ . 1]" 1
440 1 70 VAL H 1 70 VAL HB 3.500 . 4.300 3.226 2.534 3.875 . 0 0 "[ . 1]" 1
441 1 70 VAL H 1 70 VAL QG 3.500 . 4.300 2.172 2.023 2.280 . 0 0 "[ . 1]" 1
442 1 70 VAL QG 1 71 LEU H 3.500 . 4.300 2.622 2.074 3.421 . 0 0 "[ . 1]" 1
443 1 70 VAL QG 1 77 ASN QD 3.500 . 4.300 2.945 2.205 4.061 . 0 0 "[ . 1]" 1
444 1 71 LEU H 1 71 LEU QD 3.500 . 4.300 2.764 2.065 3.417 . 0 0 "[ . 1]" 1
445 1 73 THR H 1 73 THR MG 3.500 . 4.300 3.574 3.052 3.819 . 0 0 "[ . 1]" 1
446 1 74 VAL HA 1 75 ASN H 3.500 . 4.300 3.469 3.384 3.554 . 0 0 "[ . 1]" 1
447 1 77 ASN HA 1 77 ASN QD 3.500 . 4.300 3.652 3.236 3.925 . 0 0 "[ . 1]" 1
448 1 77 ASN H 1 77 ASN QB 3.500 . 4.300 2.963 2.592 3.171 . 0 0 "[ . 1]" 1
449 1 78 ILE HB 1 79 LYS H 3.500 . 4.300 2.475 2.163 2.850 . 0 0 "[ . 1]" 1
450 1 78 ILE H 1 78 ILE MD 3.500 . 4.300 3.317 2.300 4.103 . 0 0 "[ . 1]" 1
451 1 69 GLU H 1 79 LYS HA 3.500 . 4.300 3.433 3.261 3.661 . 0 0 "[ . 1]" 1
452 1 79 LYS H 1 79 LYS QB 3.500 . 4.300 2.608 2.205 3.109 . 0 0 "[ . 1]" 1
453 1 79 LYS H 1 79 LYS QD 3.500 . 4.300 4.047 3.308 4.435 0.135 6 0 "[ . 1]" 1
454 1 79 LYS H 1 79 LYS QG 3.500 . 4.300 3.524 2.442 4.045 . 0 0 "[ . 1]" 1
455 1 80 SER QB 1 81 PHE H 3.500 . 4.300 3.484 3.144 3.888 . 0 0 "[ . 1]" 1
456 1 82 THR MG 1 83 LYS H 3.500 . 4.300 4.135 3.941 4.353 0.053 9 0 "[ . 1]" 1
457 1 83 LYS H 1 83 LYS QB 3.500 . 4.300 2.992 2.668 3.362 . 0 0 "[ . 1]" 1
458 1 83 LYS QB 1 84 LEU H 3.500 . 4.300 3.381 2.799 3.848 . 0 0 "[ . 1]" 1
459 1 83 LYS H 1 83 LYS QD 3.500 . 4.300 4.345 2.587 4.739 0.439 6 0 "[ . 1]" 1
460 1 83 LYS H 1 83 LYS QE 3.500 . 4.300 4.288 3.670 4.723 0.423 7 0 "[ . 1]" 1
461 1 83 LYS H 1 83 LYS QG 3.500 . 4.300 3.552 2.428 4.426 0.126 2 0 "[ . 1]" 1
462 1 83 LYS QG 1 84 LEU H 3.500 . 4.300 3.615 2.718 4.565 0.265 3 0 "[ . 1]" 1
463 1 84 LEU HA 1 90 VAL H 3.500 . 4.300 3.244 3.069 3.417 . 0 0 "[ . 1]" 1
464 1 84 LEU H 1 84 LEU QB 3.500 . 4.300 2.266 2.107 2.379 . 0 0 "[ . 1]" 1
465 1 84 LEU QB 1 85 GLU H 3.500 . 4.300 3.528 3.206 3.858 . 0 0 "[ . 1]" 1
466 1 84 LEU H 1 84 LEU QD 3.500 . 4.300 3.668 3.455 3.906 . 0 0 "[ . 1]" 1
467 1 84 LEU QD 1 85 GLU H 3.500 . 4.300 2.236 1.954 2.971 . 0 0 "[ . 1]" 1
468 1 85 GLU HA 1 86 GLY H 3.500 . 4.300 2.553 2.201 2.791 . 0 0 "[ . 1]" 1
469 1 85 GLU H 1 85 GLU QB 3.500 . 4.300 2.605 2.365 3.213 . 0 0 "[ . 1]" 1
470 1 86 GLY QA 1 87 SER H 3.500 . 4.300 2.215 2.122 2.317 . 0 0 "[ . 1]" 1
471 1 87 SER H 1 87 SER QB 3.500 . 4.300 2.705 2.236 2.983 . 0 0 "[ . 1]" 1
472 1 86 GLY H 1 87 SER H 3.500 . 4.300 4.249 4.109 4.458 0.158 3 0 "[ . 1]" 1
473 1 85 GLU H 1 88 LYS QG 3.500 . 4.300 3.676 3.063 4.519 0.219 9 0 "[ . 1]" 1
474 1 85 GLU H 1 89 LEU HA 3.500 . 4.300 2.876 2.589 3.101 . 0 0 "[ . 1]" 1
475 1 89 LEU QB 1 90 VAL H 3.500 . 4.300 3.576 3.333 3.714 . 0 0 "[ . 1]" 1
476 1 89 LEU H 1 89 LEU QD 3.500 . 4.300 3.810 3.705 3.971 . 0 0 "[ . 1]" 1
477 1 84 LEU H 1 89 LEU HG 3.500 . 4.300 4.617 4.118 5.192 0.892 4 3 "[* +. -]" 1
478 1 90 VAL H 1 90 VAL HB 3.500 . 4.300 2.817 2.560 3.888 . 0 0 "[ . 1]" 1
479 1 90 VAL H 1 90 VAL QG 3.500 . 4.300 2.618 2.301 2.784 . 0 0 "[ . 1]" 1
480 1 90 VAL QG 1 91 VAL H 3.500 . 4.300 2.256 1.945 2.947 . 0 0 "[ . 1]" 1
481 1 81 PHE H 1 91 VAL HB 3.500 . 4.300 3.586 3.061 4.236 . 0 0 "[ . 1]" 1
482 1 91 VAL H 1 91 VAL QG 3.500 . 4.300 2.617 2.341 2.793 . 0 0 "[ . 1]" 1
483 1 91 VAL H 1 103 ARG H 3.500 . 4.300 3.782 3.307 3.957 . 0 0 "[ . 1]" 1
484 1 92 ASN HA 1 103 ARG H 3.500 . 4.300 2.782 2.470 3.202 . 0 0 "[ . 1]" 1
485 1 93 SER H 1 93 SER QB 3.500 . 4.300 2.861 2.320 3.050 . 0 0 "[ . 1]" 1
486 1 93 SER QB 1 101 GLY H 3.500 . 4.300 4.151 3.327 4.527 0.227 1 0 "[ . 1]" 1
487 1 95 LEU QB 1 100 LYS H 3.500 . 4.300 3.722 3.309 4.218 . 0 0 "[ . 1]" 1
488 1 96 PRO HA 1 98 GLY H 3.500 . 4.300 3.491 3.081 3.883 . 0 0 "[ . 1]" 1
489 1 99 ARG QB 1 100 LYS H 3.500 . 4.300 3.949 3.802 4.040 . 0 0 "[ . 1]" 1
490 1 100 LYS H 1 100 LYS QB 3.500 . 4.300 2.445 2.048 2.620 . 0 0 "[ . 1]" 1
491 1 100 LYS QB 1 101 GLY H 3.500 . 4.300 2.642 2.355 3.255 . 0 0 "[ . 1]" 1
492 1 100 LYS H 1 100 LYS QD 3.500 . 4.300 3.351 1.933 4.164 . 0 0 "[ . 1]" 1
493 1 100 LYS H 1 100 LYS QG 3.500 . 4.300 2.536 1.913 3.969 . 0 0 "[ . 1]" 1
494 1 93 SER H 1 101 GLY H 3.500 . 4.300 4.308 3.878 4.818 0.518 10 1 "[ . +]" 1
495 1 103 ARG H 1 103 ARG QB 3.500 . 4.300 2.290 1.975 2.609 . 0 0 "[ . 1]" 1
496 1 112 PHE HA 1 127 PHE H 3.500 . 4.300 4.684 4.587 4.841 0.541 6 1 "[ .+ 1]" 1
497 1 112 PHE QB 1 113 VAL H 3.500 . 4.300 3.790 3.364 4.016 . 0 0 "[ . 1]" 1
498 1 113 VAL H 1 113 VAL HB 3.500 . 4.300 2.749 2.587 3.080 . 0 0 "[ . 1]" 1
499 1 113 VAL HB 1 114 LEU H 3.500 . 4.300 4.228 4.068 4.419 0.119 4 0 "[ . 1]" 1
500 1 113 VAL QG 1 114 LEU H 3.500 . 4.300 2.846 2.692 3.138 . 0 0 "[ . 1]" 1
501 1 114 LEU H 1 114 LEU QB 3.500 . 4.300 2.497 1.972 3.065 . 0 0 "[ . 1]" 1
502 1 114 LEU QB 1 115 THR H 3.500 . 4.300 3.824 3.474 4.208 . 0 0 "[ . 1]" 1
503 1 114 LEU H 1 114 LEU QD 3.500 . 4.300 2.747 1.660 3.850 0.140 8 0 "[ . 1]" 1
504 1 114 LEU H 1 114 LEU HG 3.500 . 4.300 3.528 2.255 4.209 . 0 0 "[ . 1]" 1
505 1 115 THR H 1 115 THR MG 3.500 . 4.300 2.973 2.372 3.707 . 0 0 "[ . 1]" 1
506 1 116 MET QB 1 123 ALA H 3.500 . 4.300 3.281 2.446 4.148 . 0 0 "[ . 1]" 1
507 1 116 MET H 1 123 ALA H 3.500 . 4.300 2.593 2.310 2.895 . 0 0 "[ . 1]" 1
508 1 118 ALA HA 1 119 GLY H 3.500 . 4.300 2.470 2.279 2.668 . 0 0 "[ . 1]" 1
509 1 118 ALA HA 1 121 MET H 3.500 . 4.300 4.517 4.127 4.721 0.421 3 0 "[ . 1]" 1
510 1 119 GLY QA 1 120 ASP H 3.500 . 4.300 2.819 2.683 2.941 . 0 0 "[ . 1]" 1
511 1 120 ASP H 1 120 ASP QB 3.500 . 4.300 2.302 1.931 2.780 . 0 0 "[ . 1]" 1
512 1 120 ASP H 1 121 MET H 3.500 . 4.300 2.435 2.114 2.830 . 0 0 "[ . 1]" 1
513 1 121 MET QB 1 122 VAL H 3.500 . 4.300 2.180 1.909 2.702 . 0 0 "[ . 1]" 1
514 1 122 VAL H 1 122 VAL HB 3.500 . 4.300 4.044 3.868 4.156 . 0 0 "[ . 1]" 1
515 1 122 VAL H 1 122 VAL QG 3.500 . 4.300 2.597 2.277 2.768 . 0 0 "[ . 1]" 1
516 1 125 ARG QB 1 126 TYR H 3.500 . 4.300 2.723 2.488 3.181 . 0 0 "[ . 1]" 1
517 1 126 TYR H 1 126 TYR QB 3.500 . 4.300 3.231 2.996 3.357 . 0 0 "[ . 1]" 1
518 1 128 ILE HB 1 129 ARG H 3.500 . 4.300 3.636 3.360 3.803 . 0 0 "[ . 1]" 1
519 1 112 PHE H 1 128 ILE MD 3.500 . 4.300 4.621 3.777 5.148 0.848 9 4 "[ * *- +1]" 1
520 1 128 ILE MD 1 129 ARG H 3.500 . 4.300 4.640 4.166 4.840 0.540 9 1 "[ . +1]" 1
521 1 128 ILE QG 1 129 ARG H 3.500 . 4.300 4.210 3.889 4.592 0.292 1 0 "[ . 1]" 1
522 1 128 ILE H 1 128 ILE MG 3.500 . 4.300 3.976 3.920 4.050 . 0 0 "[ . 1]" 1
523 1 128 ILE MG 1 129 ARG H 3.500 . 4.300 1.990 1.857 2.116 . 0 0 "[ . 1]" 1
524 1 129 ARG HA 1 130 THR H 3.500 . 4.300 2.050 1.932 2.171 . 0 0 "[ . 1]" 1
525 1 129 ARG H 1 129 ARG QB 3.500 . 4.300 2.454 2.261 2.667 . 0 0 "[ . 1]" 1
526 1 5 ALA MB 1 6 GLY QA 3.500 . 4.300 3.688 3.393 4.018 . 0 0 "[ . 1]" 1
527 1 12 LYS QB 1 126 TYR QB 3.500 . 4.300 4.222 3.960 4.709 0.409 2 0 "[ . 1]" 1
528 1 18 GLU HA 1 21 ALA MB 3.500 . 4.300 2.864 2.386 3.355 . 0 0 "[ . 1]" 1
529 1 20 LEU QD 1 30 ILE MG 3.500 . 4.300 3.574 1.903 4.668 0.368 9 0 "[ . 1]" 1
530 1 20 LEU QD 1 30 ILE MD 3.500 . 4.300 2.910 1.802 3.477 . 0 0 "[ . 1]" 1
531 1 43 ILE HB 1 50 THR HB 3.500 . 4.300 4.618 4.182 4.823 0.523 7 1 "[ . + 1]" 1
532 1 44 VAL HB 1 49 PHE HA 3.500 . 4.300 4.295 3.971 4.524 0.224 7 0 "[ . 1]" 1
533 1 70 VAL QG 1 77 ASN HA 3.500 . 4.300 2.621 2.206 2.944 . 0 0 "[ . 1]" 1
534 1 82 THR HA 1 91 VAL HA 3.500 . 4.300 2.137 2.040 2.298 . 0 0 "[ . 1]" 1
535 1 84 LEU HA 1 89 LEU QD 3.500 . 4.300 3.458 2.816 4.124 . 0 0 "[ . 1]" 1
536 1 84 LEU HG 1 89 LEU HA 3.500 . 4.300 3.984 2.381 5.487 1.187 8 5 "[* -. +**]" 1
537 1 89 LEU QB 1 105 TYR QB 3.500 . 4.300 2.271 2.126 2.652 . 0 0 "[ . 1]" 1
538 1 84 LEU HG 1 89 LEU QD 3.500 . 4.300 3.442 2.124 4.403 0.103 4 0 "[ . 1]" 1
539 1 90 VAL HA 1 104 THR HA 3.500 . 4.300 1.965 1.856 2.160 . 0 0 "[ . 1]" 1
540 1 82 THR HA 1 91 VAL QG 3.500 . 4.300 2.187 2.004 2.323 . 0 0 "[ . 1]" 1
541 1 82 THR HB 1 91 VAL QG 3.500 . 4.300 2.299 2.027 2.673 . 0 0 "[ . 1]" 1
542 1 103 ARG QB 1 116 MET HA 3.500 . 4.300 3.966 3.518 4.292 . 0 0 "[ . 1]" 1
543 1 88 LYS HA 1 106 GLU HA 3.500 . 4.300 3.006 2.656 3.334 . 0 0 "[ . 1]" 1
544 1 88 LYS HA 1 106 GLU QB 3.500 . 4.300 4.381 3.752 4.674 0.374 1 0 "[ . 1]" 1
545 1 111 GLY QA 1 128 ILE HA 3.500 . 4.300 2.121 1.939 2.301 . 0 0 "[ . 1]" 1
546 1 115 THR HA 1 124 LYS HA 3.500 . 4.300 2.148 1.982 2.388 . 0 0 "[ . 1]" 1
547 1 101 GLY QA 1 118 ALA HA 3.500 . 4.300 3.724 2.985 4.278 . 0 0 "[ . 1]" 1
548 1 15 ASN QB 1 123 ALA HA 3.500 . 4.300 2.166 1.895 2.702 . 0 0 "[ . 1]" 1
549 1 19 TYR QB 1 123 ALA MB 3.500 . 4.300 3.301 2.096 3.696 . 0 0 "[ . 1]" 1
550 1 113 VAL QG 1 126 TYR HD1 3.500 . 4.300 3.171 3.032 3.400 . 0 0 "[ . 1]" 1
551 1 78 ILE HA 1 95 LEU HA 3.500 . 4.300 3.781 3.530 4.292 . 0 0 "[ . 1]" 1
552 1 43 ILE MD 1 50 THR HB 3.500 . 4.300 3.175 2.324 4.177 . 0 0 "[ . 1]" 1
553 1 38 VAL QG 1 55 SER HA 3.500 . 4.300 3.091 2.275 3.480 . 0 0 "[ . 1]" 1
554 1 43 ILE H 1 50 THR H 3.500 . 4.300 3.068 2.841 3.341 . 0 0 "[ . 1]" 1
555 1 45 ASN H 1 48 LYS H 3.500 . 4.300 3.663 3.461 3.898 . 0 0 "[ . 1]" 1
556 1 69 GLU H 1 78 ILE H 3.500 . 4.300 3.263 2.993 3.634 . 0 0 "[ . 1]" 1
557 1 43 ILE QG 1 50 THR H 3.500 . 4.300 2.624 2.160 3.900 . 0 0 "[ . 1]" 1
558 1 79 LYS H 1 95 LEU HA 3.500 . 4.300 4.217 3.989 4.952 0.652 4 1 "[ +. 1]" 1
559 1 71 LEU H 1 76 MET H 3.500 . 4.300 3.408 3.086 3.723 . 0 0 "[ . 1]" 1
560 1 32 LYS HA 1 34 ASN H 3.500 . 4.300 4.860 4.242 5.324 1.024 2 7 "[*+* **- *1]" 1
561 1 61 LEU HA 1 67 VAL QG 3.500 . 4.300 3.945 2.395 4.584 0.284 10 0 "[ . 1]" 1
562 1 42 ILE HB 1 51 PHE QB 3.500 . 4.300 3.378 2.542 4.480 0.180 6 0 "[ . 1]" 1
563 1 51 PHE H 1 61 LEU HG 3.500 . 4.300 3.967 3.359 4.507 0.207 7 0 "[ . 1]" 1
564 1 7 THR MG 1 43 ILE HA 3.500 . 4.300 3.002 2.212 4.272 . 0 0 "[ . 1]" 1
565 1 13 ASN HA 1 125 ARG QB 3.500 . 4.300 2.016 1.819 2.198 . 0 0 "[ . 1]" 1
566 1 39 VAL H 1 54 SER QB 3.500 . 4.300 3.878 3.494 4.154 . 0 0 "[ . 1]" 1
567 1 41 GLU HB2 1 52 LYS QG 3.500 . 4.300 2.511 2.103 2.991 . 0 0 "[ . 1]" 1
568 1 41 GLU QB 1 52 LYS QG 3.500 . 4.300 2.040 1.946 2.127 . 0 0 "[ . 1]" 1
569 1 69 GLU H 1 78 ILE MD 3.500 . 4.300 3.875 2.817 4.750 0.450 4 0 "[ . 1]" 1
570 1 68 GLU QB 1 79 LYS HA 3.500 . 4.300 3.618 3.247 4.001 . 0 0 "[ . 1]" 1
571 1 57 MET HA 1 58 ASN H 3.500 . 4.300 2.171 2.111 2.232 . 0 0 "[ . 1]" 1
572 1 62 ILE MD 1 65 GLU QB 3.500 . 4.300 3.694 2.585 4.574 0.274 8 0 "[ . 1]" 1
573 1 7 THR MG 1 43 ILE HB 3.500 . 4.300 3.533 2.088 4.776 0.476 4 0 "[ . 1]" 1
574 1 51 PHE QB 1 61 LEU QB 3.500 . 4.300 4.565 3.498 4.884 0.584 1 3 "[+ -* 1]" 1
575 1 45 ASN QB 1 48 LYS QB 3.500 . 4.300 2.826 1.999 3.914 . 0 0 "[ . 1]" 1
576 1 51 PHE H 1 61 LEU QB 3.500 . 4.300 4.611 4.199 4.835 0.535 9 1 "[ . +1]" 1
577 1 50 THR MG 1 62 ILE MG 3.500 . 4.300 2.513 2.058 3.266 . 0 0 "[ . 1]" 1
578 1 83 LYS QE 1 90 VAL QG 3.500 . 4.300 2.650 1.921 3.989 . 0 0 "[ . 1]" 1
579 1 8 TYR H 1 8 TYR QD 3.500 . 4.300 3.286 3.140 3.408 . 0 0 "[ . 1]" 1
580 1 4 LEU H 1 5 ALA H 3.500 . 4.300 2.361 1.937 3.002 . 0 0 "[ . 1]" 1
581 1 63 VAL QG 1 64 ASN HD21 3.500 . 4.300 2.496 1.776 2.779 0.024 1 0 "[ . 1]" 1
582 1 63 VAL QG 1 64 ASN HD22 3.500 . 4.300 2.914 2.758 3.073 . 0 0 "[ . 1]" 1
583 1 3 GLN HE21 1 5 ALA H 3.500 . 4.300 3.426 2.590 4.377 0.077 4 0 "[ . 1]" 1
584 1 3 GLN QG 1 5 ALA H 3.500 . 4.300 3.961 3.570 4.434 0.134 4 0 "[ . 1]" 1
585 1 14 GLU HB2 1 16 PHE H 3.500 . 4.300 4.683 4.562 4.851 0.551 9 2 "[ . +-]" 1
586 1 17 GLU H 1 20 LEU QB 3.500 . 4.300 4.630 4.049 4.940 0.640 3 2 "[ + - 1]" 1
587 1 29 SER H 1 32 LYS HG2 3.500 . 4.300 4.496 4.346 4.671 0.371 1 0 "[ . 1]" 1
588 1 39 VAL QG 1 41 GLU H 3.500 . 4.300 3.598 3.125 4.115 . 0 0 "[ . 1]" 1
589 1 85 GLU H 1 89 LEU HG 3.500 . 4.300 4.937 4.643 5.318 1.018 4 7 "[ **+.* **-]" 1
590 1 2 VAL QG 1 45 ASN H 3.500 . 4.300 4.693 4.254 4.860 0.560 3 2 "[ +-. 1]" 1
591 1 13 ASN HA 1 125 ARG H 3.500 . 4.300 4.974 4.757 5.120 0.820 3 9 "[**+** **-*]" 1
592 1 44 VAL MG1 1 50 THR H 3.500 . 4.300 3.386 2.878 3.680 . 0 0 "[ . 1]" 1
593 1 33 ALA H 1 74 VAL QG 3.500 . 4.300 4.355 3.692 4.671 0.371 5 0 "[ . 1]" 1
594 1 14 GLU H 1 125 ARG HB2 3.500 . 4.300 3.705 3.305 4.217 . 0 0 "[ . 1]" 1
595 1 25 VAL QG 1 26 PRO HD2 3.500 . 4.300 2.086 2.008 2.291 . 0 0 "[ . 1]" 1
596 1 95 LEU HA 1 96 PRO HD2 3.500 . 4.300 2.471 2.064 2.600 . 0 0 "[ . 1]" 1
597 1 19 TYR HA 1 22 ALA MB 3.500 . 4.300 2.291 2.097 2.626 . 0 0 "[ . 1]" 1
598 1 2 VAL QG 1 47 ASN QB 3.500 . 4.300 2.207 2.012 2.994 . 0 0 "[ . 1]" 1
599 1 4 LEU MD1 1 44 VAL MG2 3.500 . 4.300 3.774 2.701 4.421 0.121 7 0 "[ . 1]" 1
600 1 13 ASN QD 1 114 LEU HG 3.500 . 4.300 5.120 4.755 5.727 1.427 1 9 [+***.***-*] 1
601 1 9 LYS QB 1 39 VAL QG 3.500 . 4.300 3.929 2.983 4.284 . 0 0 "[ . 1]" 1
602 1 39 VAL QG 1 52 LYS QG 3.500 . 4.300 3.533 3.241 4.017 . 0 0 "[ . 1]" 1
603 1 39 VAL QG 1 54 SER HA 3.500 . 4.300 4.546 4.316 4.737 0.437 9 0 "[ . 1]" 1
604 1 4 LEU MD1 1 44 VAL MG1 3.500 . 4.300 4.653 3.931 5.239 0.939 1 4 "[+ -*.* 1]" 1
605 1 61 LEU MD1 1 67 VAL MG1 3.500 . 4.300 4.225 3.896 4.398 0.098 3 0 "[ . 1]" 1
606 1 68 GLU HA 1 79 LYS HG2 3.500 . 4.300 3.870 3.260 4.508 0.208 4 0 "[ . 1]" 1
607 1 59 SER QB 1 69 GLU QB 3.500 . 4.300 3.052 2.624 3.467 . 0 0 "[ . 1]" 1
608 1 70 VAL HB 1 77 ASN QB 3.500 . 4.300 2.749 2.211 3.824 . 0 0 "[ . 1]" 1
609 1 61 LEU MD2 1 89 LEU QD 3.500 . 4.300 4.244 4.001 4.564 0.264 7 0 "[ . 1]" 1
610 1 61 LEU MD2 1 91 VAL QG 3.500 . 4.300 3.247 2.729 3.585 . 0 0 "[ . 1]" 1
611 1 78 ILE HB 1 96 PRO HD2 3.500 . 4.300 3.938 3.643 4.881 0.581 4 1 "[ +. 1]" 1
612 1 12 LYS QE 1 126 TYR HE1 3.500 . 4.300 3.780 3.032 4.641 0.341 7 0 "[ . 1]" 1
613 1 65 GLU H 1 82 THR MG 3.500 . 4.300 3.471 3.014 3.781 . 0 0 "[ . 1]" 1
614 1 115 THR H 1 124 LYS HA 3.500 . 4.300 4.383 4.005 4.688 0.388 2 0 "[ . 1]" 1
615 1 63 VAL QG 1 84 LEU MD1 3.500 . 4.300 2.845 1.851 3.718 . 0 0 "[ . 1]" 1
616 1 1 MET HA 1 2 VAL H 4.500 . 5.200 3.412 2.600 3.714 . 0 0 "[ . 1]" 1
617 1 3 GLN HA 1 4 LEU H 4.500 . 5.200 2.233 2.125 2.298 . 0 0 "[ . 1]" 1
618 1 3 GLN QB 1 4 LEU H 4.500 . 5.200 3.984 3.796 4.085 . 0 0 "[ . 1]" 1
619 1 3 GLN H 1 3 GLN QG 4.500 . 5.200 4.306 4.205 4.401 . 0 0 "[ . 1]" 1
620 1 3 GLN QG 1 4 LEU H 4.500 . 5.200 3.600 3.135 3.956 . 0 0 "[ . 1]" 1
621 1 4 LEU H 1 4 LEU QD 4.500 . 5.200 3.670 3.011 3.895 . 0 0 "[ . 1]" 1
622 1 4 LEU H 1 4 LEU HG 4.500 . 5.200 4.595 4.378 4.760 . 0 0 "[ . 1]" 1
623 1 4 LEU HG 1 5 ALA H 4.500 . 5.200 4.771 4.511 5.023 . 0 0 "[ . 1]" 1
624 1 5 ALA H 1 6 GLY H 4.500 . 5.200 2.428 1.878 2.910 . 0 0 "[ . 1]" 1
625 1 6 GLY QA 1 44 VAL H 4.500 . 5.200 4.699 4.189 5.407 0.207 6 0 "[ . 1]" 1
626 1 7 THR HA 1 129 ARG H 4.500 . 5.200 6.814 6.589 7.168 1.968 1 10 [+*****-***] 1
627 1 7 THR HB 1 8 TYR H 4.500 . 5.200 3.828 2.867 4.138 . 0 0 "[ . 1]" 1
628 1 7 THR HB 1 130 THR H 4.500 . 5.200 4.767 4.056 5.753 0.553 1 1 "[+ . 1]" 1
629 1 7 THR H 1 8 TYR H 4.500 . 5.200 4.315 4.203 4.443 . 0 0 "[ . 1]" 1
630 1 8 TYR HA 1 129 ARG H 4.500 . 5.200 3.361 3.023 3.828 . 0 0 "[ . 1]" 1
631 1 8 TYR H 1 42 ILE H 4.500 . 5.200 3.049 2.766 3.388 . 0 0 "[ . 1]" 1
632 1 9 LYS QB 1 10 LEU H 4.500 . 5.200 2.383 2.104 2.803 . 0 0 "[ . 1]" 1
633 1 9 LYS H 1 10 LEU H 4.500 . 5.200 4.523 4.443 4.624 . 0 0 "[ . 1]" 1
634 1 9 LYS H 1 128 ILE H 4.500 . 5.200 3.405 3.078 3.701 . 0 0 "[ . 1]" 1
635 1 10 LEU QB 1 11 GLU H 4.500 . 5.200 3.707 3.475 3.895 . 0 0 "[ . 1]" 1
636 1 10 LEU H 1 10 LEU QD 4.500 . 5.200 3.769 3.511 4.001 . 0 0 "[ . 1]" 1
637 1 10 LEU QD 1 11 GLU H 4.500 . 5.200 2.038 1.764 2.464 0.036 6 0 "[ . 1]" 1
638 1 10 LEU QD 1 12 LYS H 4.500 . 5.200 2.423 2.045 2.768 . 0 0 "[ . 1]" 1
639 1 10 LEU QD 1 126 TYR H 4.500 . 5.200 3.572 2.885 4.147 . 0 0 "[ . 1]" 1
640 1 10 LEU H 1 11 GLU H 4.500 . 5.200 4.571 4.361 4.689 . 0 0 "[ . 1]" 1
641 1 11 GLU H 1 11 GLU QG 4.500 . 5.200 3.228 2.533 3.958 . 0 0 "[ . 1]" 1
642 1 11 GLU QG 1 12 LYS H 4.500 . 5.200 3.720 2.159 4.231 . 0 0 "[ . 1]" 1
643 1 11 GLU H 1 12 LYS H 4.500 . 5.200 2.253 1.997 2.505 . 0 0 "[ . 1]" 1
644 1 12 LYS QB 1 13 ASN H 4.500 . 5.200 2.736 1.996 3.714 . 0 0 "[ . 1]" 1
645 1 12 LYS H 1 12 LYS QD 4.500 . 5.200 4.730 4.485 5.110 . 0 0 "[ . 1]" 1
646 1 12 LYS QD 1 13 ASN H 4.500 . 5.200 3.641 3.134 4.240 . 0 0 "[ . 1]" 1
647 1 12 LYS H 1 12 LYS QE 4.500 . 5.200 4.909 4.332 5.351 0.151 4 0 "[ . 1]" 1
648 1 12 LYS H 1 12 LYS QG 4.500 . 5.200 3.367 3.040 4.224 . 0 0 "[ . 1]" 1
649 1 12 LYS QG 1 13 ASN H 4.500 . 5.200 3.995 2.159 4.567 . 0 0 "[ . 1]" 1
650 1 12 LYS H 1 126 TYR H 4.500 . 5.200 3.632 3.178 4.138 . 0 0 "[ . 1]" 1
651 1 13 ASN HA 1 126 TYR H 4.500 . 5.200 2.821 2.155 3.465 . 0 0 "[ . 1]" 1
652 1 12 LYS H 1 13 ASN H 4.500 . 5.200 4.426 4.085 4.565 . 0 0 "[ . 1]" 1
653 1 13 ASN H 1 126 TYR H 4.500 . 5.200 4.531 4.206 4.840 . 0 0 "[ . 1]" 1
654 1 13 ASN H 1 14 GLU H 4.500 . 5.200 4.334 4.189 4.539 . 0 0 "[ . 1]" 1
655 1 15 ASN H 1 16 PHE H 4.500 . 5.200 3.098 2.885 3.230 . 0 0 "[ . 1]" 1
656 1 16 PHE HA 1 19 TYR H 4.500 . 5.200 3.737 3.133 4.013 . 0 0 "[ . 1]" 1
657 1 16 PHE HA 1 20 LEU H 4.500 . 5.200 3.976 3.663 4.551 . 0 0 "[ . 1]" 1
658 1 15 ASN H 1 16 PHE QB 4.500 . 5.200 5.109 4.635 5.326 0.126 6 0 "[ . 1]" 1
659 1 16 PHE H 1 18 GLU H 4.500 . 5.200 4.258 3.901 4.601 . 0 0 "[ . 1]" 1
660 1 17 GLU HA 1 18 GLU H 4.500 . 5.200 3.588 3.502 3.649 . 0 0 "[ . 1]" 1
661 1 17 GLU HA 1 21 ALA H 4.500 . 5.200 3.542 3.115 4.085 . 0 0 "[ . 1]" 1
662 1 17 GLU QG 1 18 GLU H 4.500 . 5.200 2.856 2.213 4.711 . 0 0 "[ . 1]" 1
663 1 18 GLU HA 1 20 LEU H 4.500 . 5.200 4.836 3.694 5.268 0.068 3 0 "[ . 1]" 1
664 1 18 GLU HA 1 21 ALA H 4.500 . 5.200 3.611 3.280 4.054 . 0 0 "[ . 1]" 1
665 1 18 GLU H 1 18 GLU QG 4.500 . 5.200 3.119 2.599 4.108 . 0 0 "[ . 1]" 1
666 1 18 GLU QG 1 19 TYR H 4.500 . 5.200 4.070 2.026 4.851 . 0 0 "[ . 1]" 1
667 1 18 GLU H 1 19 TYR H 4.500 . 5.200 2.833 2.529 3.123 . 0 0 "[ . 1]" 1
668 1 19 TYR HA 1 20 LEU H 4.500 . 5.200 3.585 3.124 3.671 . 0 0 "[ . 1]" 1
669 1 19 TYR HA 1 21 ALA H 4.500 . 5.200 4.291 4.056 4.488 . 0 0 "[ . 1]" 1
670 1 19 TYR QB 1 20 LEU H 4.500 . 5.200 3.447 2.390 3.934 . 0 0 "[ . 1]" 1
671 1 19 TYR H 1 20 LEU H 4.500 . 5.200 2.750 2.515 2.861 . 0 0 "[ . 1]" 1
672 1 20 LEU HA 1 23 LEU H 4.500 . 5.200 3.440 3.242 4.223 . 0 0 "[ . 1]" 1
673 1 19 TYR H 1 20 LEU QD 4.500 . 5.200 4.793 3.991 5.408 0.208 2 0 "[ . 1]" 1
674 1 20 LEU H 1 20 LEU QD 4.500 . 5.200 2.994 2.047 3.588 . 0 0 "[ . 1]" 1
675 1 20 LEU QD 1 25 VAL H 4.500 . 5.200 4.510 3.503 4.843 . 0 0 "[ . 1]" 1
676 1 20 LEU H 1 20 LEU HG 4.500 . 5.200 2.781 2.104 4.295 . 0 0 "[ . 1]" 1
677 1 20 LEU HG 1 21 ALA H 4.500 . 5.200 4.725 3.245 5.307 0.107 4 0 "[ . 1]" 1
678 1 18 GLU H 1 20 LEU H 4.500 . 5.200 4.280 3.295 5.043 . 0 0 "[ . 1]" 1
679 1 20 LEU H 1 21 ALA H 4.500 . 5.200 2.917 2.541 3.089 . 0 0 "[ . 1]" 1
680 1 20 LEU H 1 22 ALA H 4.500 . 5.200 4.334 3.903 4.532 . 0 0 "[ . 1]" 1
681 1 20 LEU H 1 23 LEU H 4.500 . 5.200 4.767 4.495 4.931 . 0 0 "[ . 1]" 1
682 1 21 ALA HA 1 25 VAL H 4.500 . 5.200 2.635 2.311 3.371 . 0 0 "[ . 1]" 1
683 1 18 GLU H 1 21 ALA MB 4.500 . 5.200 4.629 4.300 5.204 0.004 2 0 "[ . 1]" 1
684 1 21 ALA H 1 22 ALA H 4.500 . 5.200 2.609 2.344 2.762 . 0 0 "[ . 1]" 1
685 1 23 LEU H 1 23 LEU QD 4.500 . 5.200 2.823 2.574 3.207 . 0 0 "[ . 1]" 1
686 1 23 LEU QD 1 24 GLY H 4.500 . 5.200 4.134 3.890 4.327 . 0 0 "[ . 1]" 1
687 1 23 LEU QD 1 25 VAL H 4.500 . 5.200 4.679 4.431 5.059 . 0 0 "[ . 1]" 1
688 1 23 LEU HG 1 25 VAL H 4.500 . 5.200 5.083 4.506 5.714 0.514 6 1 "[ .+ 1]" 1
689 1 21 ALA H 1 23 LEU H 4.500 . 5.200 3.817 3.582 4.028 . 0 0 "[ . 1]" 1
690 1 23 LEU H 1 24 GLY H 4.500 . 5.200 2.408 2.203 2.591 . 0 0 "[ . 1]" 1
691 1 24 GLY QA 1 25 VAL H 4.500 . 5.200 2.866 2.633 2.982 . 0 0 "[ . 1]" 1
692 1 24 GLY H 1 25 VAL H 4.500 . 5.200 2.345 1.914 2.805 . 0 0 "[ . 1]" 1
693 1 23 LEU H 1 25 VAL QG 4.500 . 5.200 4.354 4.055 4.632 . 0 0 "[ . 1]" 1
694 1 24 GLY H 1 25 VAL QG 4.500 . 5.200 3.606 3.045 4.163 . 0 0 "[ . 1]" 1
695 1 25 VAL QG 1 30 ILE H 4.500 . 5.200 3.353 2.782 3.735 . 0 0 "[ . 1]" 1
696 1 26 PRO QB 1 28 ASP H 4.500 . 5.200 3.634 3.290 3.982 . 0 0 "[ . 1]" 1
697 1 26 PRO QB 1 29 SER H 4.500 . 5.200 2.757 2.417 3.008 . 0 0 "[ . 1]" 1
698 1 26 PRO QD 1 27 GLN H 4.500 . 5.200 4.981 4.895 5.032 . 0 0 "[ . 1]" 1
699 1 27 GLN HA 1 28 ASP H 4.500 . 5.200 3.658 3.586 3.723 . 0 0 "[ . 1]" 1
700 1 27 GLN HA 1 30 ILE H 4.500 . 5.200 3.409 3.118 3.982 . 0 0 "[ . 1]" 1
701 1 27 GLN HA 1 31 LYS H 4.500 . 5.200 3.841 3.283 4.298 . 0 0 "[ . 1]" 1
702 1 27 GLN H 1 27 GLN QG 4.500 . 5.200 3.084 2.045 3.925 . 0 0 "[ . 1]" 1
703 1 27 GLN H 1 28 ASP H 4.500 . 5.200 3.209 3.019 3.436 . 0 0 "[ . 1]" 1
704 1 27 GLN H 1 29 SER H 4.500 . 5.200 4.330 3.999 4.667 . 0 0 "[ . 1]" 1
705 1 28 ASP HA 1 29 SER H 4.500 . 5.200 3.431 3.304 3.536 . 0 0 "[ . 1]" 1
706 1 28 ASP HA 1 30 ILE H 4.500 . 5.200 4.222 3.809 4.711 . 0 0 "[ . 1]" 1
707 1 28 ASP HA 1 31 LYS H 4.500 . 5.200 3.410 3.084 3.851 . 0 0 "[ . 1]" 1
708 1 28 ASP HA 1 32 LYS H 4.500 . 5.200 4.173 3.671 5.075 . 0 0 "[ . 1]" 1
709 1 28 ASP QB 1 29 SER H 4.500 . 5.200 3.281 2.814 3.862 . 0 0 "[ . 1]" 1
710 1 28 ASP H 1 29 SER H 4.500 . 5.200 2.599 2.342 2.824 . 0 0 "[ . 1]" 1
711 1 28 ASP H 1 30 ILE H 4.500 . 5.200 4.064 3.781 4.357 . 0 0 "[ . 1]" 1
712 1 29 SER HA 1 30 ILE H 4.500 . 5.200 3.527 3.376 3.620 . 0 0 "[ . 1]" 1
713 1 29 SER HA 1 31 LYS H 4.500 . 5.200 4.549 4.143 4.986 . 0 0 "[ . 1]" 1
714 1 29 SER HA 1 32 LYS H 4.500 . 5.200 3.621 3.227 3.967 . 0 0 "[ . 1]" 1
715 1 29 SER HA 1 33 ALA H 4.500 . 5.200 4.535 4.050 5.061 . 0 0 "[ . 1]" 1
716 1 29 SER QB 1 30 ILE H 4.500 . 5.200 2.910 2.638 3.295 . 0 0 "[ . 1]" 1
717 1 29 SER H 1 30 ILE H 4.500 . 5.200 2.405 2.187 2.659 . 0 0 "[ . 1]" 1
718 1 30 ILE HA 1 31 LYS H 4.500 . 5.200 3.572 3.466 3.689 . 0 0 "[ . 1]" 1
719 1 30 ILE HA 1 33 ALA H 4.500 . 5.200 3.225 2.802 3.459 . 0 0 "[ . 1]" 1
720 1 29 SER H 1 30 ILE HB 4.500 . 5.200 4.293 3.824 4.950 . 0 0 "[ . 1]" 1
721 1 30 ILE H 1 30 ILE QG 4.500 . 5.200 3.674 2.938 4.181 . 0 0 "[ . 1]" 1
722 1 28 ASP H 1 30 ILE MG 4.500 . 5.200 4.630 3.756 5.160 . 0 0 "[ . 1]" 1
723 1 29 SER H 1 30 ILE MG 4.500 . 5.200 4.365 3.142 5.264 0.064 6 0 "[ . 1]" 1
724 1 30 ILE MG 1 31 LYS H 4.500 . 5.200 2.204 1.778 2.636 0.022 4 0 "[ . 1]" 1
725 1 30 ILE H 1 31 LYS H 4.500 . 5.200 2.628 2.304 2.972 . 0 0 "[ . 1]" 1
726 1 28 ASP H 1 31 LYS QB 4.500 . 5.200 5.174 4.665 5.754 0.554 5 1 "[ + 1]" 1
727 1 31 LYS QB 1 35 SER H 4.500 . 5.200 5.398 4.651 6.150 0.950 3 2 "[ + . - 1]" 1
728 1 31 LYS H 1 31 LYS QE 4.500 . 5.200 4.756 4.353 5.044 . 0 0 "[ . 1]" 1
729 1 32 LYS QB 1 33 ALA H 4.500 . 5.200 3.637 2.559 4.011 . 0 0 "[ . 1]" 1
730 1 32 LYS H 1 32 LYS QE 4.500 . 5.200 4.116 3.414 4.373 . 0 0 "[ . 1]" 1
731 1 32 LYS H 1 33 ALA H 4.500 . 5.200 2.476 2.093 2.757 . 0 0 "[ . 1]" 1
732 1 33 ALA HA 1 35 SER H 4.500 . 5.200 3.868 3.364 4.302 . 0 0 "[ . 1]" 1
733 1 34 ASN QB 1 35 SER H 4.500 . 5.200 3.631 3.077 3.950 . 0 0 "[ . 1]" 1
734 1 34 ASN H 1 34 ASN QD 4.500 . 5.200 2.940 2.455 3.450 . 0 0 "[ . 1]" 1
735 1 36 PRO HA 1 37 GLY H 4.500 . 5.200 2.897 2.556 3.442 . 0 0 "[ . 1]" 1
736 1 36 PRO HA 1 38 VAL H 4.500 . 5.200 2.984 2.676 3.547 . 0 0 "[ . 1]" 1
737 1 36 PRO QB 1 37 GLY H 4.500 . 5.200 2.088 1.857 2.431 . 0 0 "[ . 1]" 1
738 1 37 GLY QA 1 38 VAL H 4.500 . 5.200 2.823 2.640 2.914 . 0 0 "[ . 1]" 1
739 1 38 VAL HA 1 39 VAL H 4.500 . 5.200 2.186 2.127 2.279 . 0 0 "[ . 1]" 1
740 1 37 GLY H 1 38 VAL QG 4.500 . 5.200 4.303 3.863 4.555 . 0 0 "[ . 1]" 1
741 1 37 GLY H 1 38 VAL H 4.500 . 5.200 2.914 2.435 3.507 . 0 0 "[ . 1]" 1
742 1 38 VAL H 1 39 VAL H 4.500 . 5.200 4.570 4.498 4.679 . 0 0 "[ . 1]" 1
743 1 39 VAL HB 1 40 TYR H 4.500 . 5.200 4.457 4.358 4.543 . 0 0 "[ . 1]" 1
744 1 39 VAL H 1 40 TYR H 4.500 . 5.200 4.277 4.047 4.411 . 0 0 "[ . 1]" 1
745 1 40 TYR HA 1 54 SER H 4.500 . 5.200 3.591 3.416 3.871 . 0 0 "[ . 1]" 1
746 1 40 TYR H 1 40 TYR QD 4.500 . 5.200 3.711 3.053 4.468 . 0 0 "[ . 1]" 1
747 1 41 GLU QB 1 42 ILE H 4.500 . 5.200 3.761 3.392 3.927 . 0 0 "[ . 1]" 1
748 1 41 GLU H 1 41 GLU QG 4.500 . 5.200 3.837 2.683 4.299 . 0 0 "[ . 1]" 1
749 1 41 GLU QG 1 42 ILE H 4.500 . 5.200 3.562 2.867 4.544 . 0 0 "[ . 1]" 1
750 1 40 TYR H 1 41 GLU H 4.500 . 5.200 4.197 3.795 4.539 . 0 0 "[ . 1]" 1
751 1 42 ILE HA 1 52 LYS H 4.500 . 5.200 3.582 3.429 3.703 . 0 0 "[ . 1]" 1
752 1 42 ILE HB 1 43 ILE H 4.500 . 5.200 4.139 3.703 4.368 . 0 0 "[ . 1]" 1
753 1 42 ILE H 1 42 ILE MD 4.500 . 5.200 3.962 2.280 4.822 . 0 0 "[ . 1]" 1
754 1 42 ILE H 1 42 ILE QG 4.500 . 5.200 3.656 2.410 4.313 . 0 0 "[ . 1]" 1
755 1 42 ILE QG 1 43 ILE H 4.500 . 5.200 3.835 2.884 4.592 . 0 0 "[ . 1]" 1
756 1 42 ILE H 1 42 ILE MG 4.500 . 5.200 2.639 1.985 3.953 . 0 0 "[ . 1]" 1
757 1 42 ILE MG 1 43 ILE H 4.500 . 5.200 3.997 2.586 4.409 . 0 0 "[ . 1]" 1
758 1 41 GLU H 1 42 ILE H 4.500 . 5.200 4.262 4.069 4.439 . 0 0 "[ . 1]" 1
759 1 42 ILE H 1 43 ILE H 4.500 . 5.200 4.138 4.018 4.321 . 0 0 "[ . 1]" 1
760 1 43 ILE HB 1 44 VAL H 4.500 . 5.200 3.868 3.432 4.348 . 0 0 "[ . 1]" 1
761 1 43 ILE HB 1 50 THR H 4.500 . 5.200 4.967 4.663 5.403 0.203 7 0 "[ . 1]" 1
762 1 43 ILE H 1 43 ILE MD 4.500 . 5.200 4.011 3.768 4.626 . 0 0 "[ . 1]" 1
763 1 43 ILE H 1 43 ILE QG 4.500 . 5.200 2.514 2.003 3.832 . 0 0 "[ . 1]" 1
764 1 43 ILE QG 1 44 VAL H 4.500 . 5.200 4.370 3.151 4.684 . 0 0 "[ . 1]" 1
765 1 43 ILE MG 1 44 VAL H 4.500 . 5.200 4.319 4.098 4.442 . 0 0 "[ . 1]" 1
766 1 43 ILE H 1 44 VAL H 4.500 . 5.200 4.190 3.786 4.472 . 0 0 "[ . 1]" 1
767 1 44 VAL HA 1 48 LYS H 4.500 . 5.200 5.121 4.980 5.257 0.057 5 0 "[ . 1]" 1
768 1 44 VAL HA 1 50 THR H 4.500 . 5.200 3.763 3.550 3.953 . 0 0 "[ . 1]" 1
769 1 44 VAL HB 1 45 ASN H 4.500 . 5.200 3.050 2.806 3.167 . 0 0 "[ . 1]" 1
770 1 44 VAL QG 1 46 GLY H 4.500 . 5.200 4.250 4.099 4.512 . 0 0 "[ . 1]" 1
771 1 44 VAL QG 1 48 LYS H 4.500 . 5.200 5.550 5.341 5.719 0.519 1 1 "[+ . 1]" 1
772 1 44 VAL H 1 45 ASN H 4.500 . 5.200 4.283 4.072 4.490 . 0 0 "[ . 1]" 1
773 1 45 ASN HA 1 48 LYS H 4.500 . 5.200 5.146 4.782 5.537 0.337 6 0 "[ . 1]" 1
774 1 45 ASN QB 1 46 GLY H 4.500 . 5.200 3.927 3.830 3.971 . 0 0 "[ . 1]" 1
775 1 45 ASN QB 1 48 LYS H 4.500 . 5.200 4.440 3.727 5.073 . 0 0 "[ . 1]" 1
776 1 45 ASN H 1 45 ASN QD 4.500 . 5.200 3.117 2.245 3.869 . 0 0 "[ . 1]" 1
777 1 45 ASN H 1 46 GLY H 4.500 . 5.200 2.934 2.741 3.153 . 0 0 "[ . 1]" 1
778 1 45 ASN H 1 49 PHE H 4.500 . 5.200 4.876 4.755 4.938 . 0 0 "[ . 1]" 1
779 1 46 GLY QA 1 47 ASN H 4.500 . 5.200 2.171 2.113 2.224 . 0 0 "[ . 1]" 1
780 1 46 GLY QA 1 48 LYS H 4.500 . 5.200 3.579 3.452 3.720 . 0 0 "[ . 1]" 1
781 1 46 GLY H 1 47 ASN H 4.500 . 5.200 4.251 4.020 4.428 . 0 0 "[ . 1]" 1
782 1 47 ASN HA 1 48 LYS H 4.500 . 5.200 2.927 2.664 3.246 . 0 0 "[ . 1]" 1
783 1 47 ASN QB 1 48 LYS H 4.500 . 5.200 3.791 3.517 3.969 . 0 0 "[ . 1]" 1
784 1 47 ASN H 1 47 ASN QD 4.500 . 5.200 2.864 2.059 4.540 . 0 0 "[ . 1]" 1
785 1 47 ASN H 1 48 LYS H 4.500 . 5.200 3.049 2.682 3.372 . 0 0 "[ . 1]" 1
786 1 48 LYS QB 1 49 PHE H 4.500 . 5.200 3.844 3.629 3.975 . 0 0 "[ . 1]" 1
787 1 48 LYS H 1 48 LYS QD 4.500 . 5.200 4.918 4.327 5.379 0.179 2 0 "[ . 1]" 1
788 1 48 LYS H 1 48 LYS QG 4.500 . 5.200 4.089 3.406 4.351 . 0 0 "[ . 1]" 1
789 1 46 GLY H 1 48 LYS H 4.500 . 5.200 4.094 3.848 4.354 . 0 0 "[ . 1]" 1
790 1 48 LYS H 1 49 PHE H 4.500 . 5.200 3.677 3.356 4.029 . 0 0 "[ . 1]" 1
791 1 44 VAL H 1 49 PHE HA 4.500 . 5.200 4.885 4.708 5.021 . 0 0 "[ . 1]" 1
792 1 45 ASN H 1 49 PHE HA 4.500 . 5.200 3.400 3.310 3.510 . 0 0 "[ . 1]" 1
793 1 45 ASN H 1 49 PHE QB 4.500 . 5.200 4.563 4.418 4.851 . 0 0 "[ . 1]" 1
794 1 50 THR HB 1 51 PHE H 4.500 . 5.200 3.951 3.691 4.294 . 0 0 "[ . 1]" 1
795 1 50 THR H 1 50 THR MG 4.500 . 5.200 3.994 3.765 4.066 . 0 0 "[ . 1]" 1
796 1 43 ILE H 1 51 PHE HA 4.500 . 5.200 3.576 3.118 3.783 . 0 0 "[ . 1]" 1
797 1 51 PHE QB 1 52 LYS H 4.500 . 5.200 3.605 3.138 3.989 . 0 0 "[ . 1]" 1
798 1 52 LYS H 1 52 LYS QG 4.500 . 5.200 2.475 2.267 2.780 . 0 0 "[ . 1]" 1
799 1 51 PHE H 1 52 LYS H 4.500 . 5.200 4.208 3.996 4.350 . 0 0 "[ . 1]" 1
800 1 55 SER QB 1 56 GLY H 4.500 . 5.200 3.998 3.895 4.051 . 0 0 "[ . 1]" 1
801 1 56 GLY QA 1 57 MET H 4.500 . 5.200 2.768 2.654 2.872 . 0 0 "[ . 1]" 1
802 1 57 MET QB 1 58 ASN H 4.500 . 5.200 3.537 3.082 3.954 . 0 0 "[ . 1]" 1
803 1 57 MET H 1 57 MET QG 4.500 . 5.200 3.748 2.898 4.127 . 0 0 "[ . 1]" 1
804 1 57 MET H 1 58 ASN H 4.500 . 5.200 4.484 4.375 4.549 . 0 0 "[ . 1]" 1
805 1 60 THR HB 1 61 LEU H 4.500 . 5.200 4.104 3.927 4.336 . 0 0 "[ . 1]" 1
806 1 59 SER H 1 60 THR H 4.500 . 5.200 4.456 4.149 4.589 . 0 0 "[ . 1]" 1
807 1 60 THR H 1 61 LEU H 4.500 . 5.200 4.209 3.959 4.423 . 0 0 "[ . 1]" 1
808 1 61 LEU QB 1 62 ILE H 4.500 . 5.200 2.631 2.143 3.424 . 0 0 "[ . 1]" 1
809 1 61 LEU H 1 61 LEU HG 4.500 . 5.200 2.285 2.106 2.532 . 0 0 "[ . 1]" 1
810 1 61 LEU H 1 62 ILE H 4.500 . 5.200 4.359 4.051 4.453 . 0 0 "[ . 1]" 1
811 1 62 ILE H 1 62 ILE QG 4.500 . 5.200 2.357 1.955 3.544 . 0 0 "[ . 1]" 1
812 1 62 ILE QG 1 63 VAL H 4.500 . 5.200 3.474 2.307 4.120 . 0 0 "[ . 1]" 1
813 1 63 VAL HB 1 64 ASN H 4.500 . 5.200 3.968 3.509 4.151 . 0 0 "[ . 1]" 1
814 1 62 ILE H 1 63 VAL H 4.500 . 5.200 4.157 2.662 4.445 . 0 0 "[ . 1]" 1
815 1 63 VAL H 1 64 ASN H 4.500 . 5.200 4.518 4.123 4.608 . 0 0 "[ . 1]" 1
816 1 64 ASN HA 1 65 GLU H 4.500 . 5.200 2.689 2.435 2.897 . 0 0 "[ . 1]" 1
817 1 64 ASN QB 1 65 GLU H 4.500 . 5.200 4.009 3.918 4.073 . 0 0 "[ . 1]" 1
818 1 64 ASN H 1 65 GLU H 4.500 . 5.200 3.096 2.873 3.384 . 0 0 "[ . 1]" 1
819 1 65 GLU HA 1 66 GLU H 4.500 . 5.200 2.822 2.498 3.093 . 0 0 "[ . 1]" 1
820 1 65 GLU H 1 66 GLU H 4.500 . 5.200 4.334 4.094 4.573 . 0 0 "[ . 1]" 1
821 1 66 GLU HA 1 82 THR H 4.500 . 5.200 2.494 2.366 2.610 . 0 0 "[ . 1]" 1
822 1 66 GLU H 1 67 VAL QG 4.500 . 5.200 4.780 3.900 5.188 . 0 0 "[ . 1]" 1
823 1 68 GLU HA 1 80 SER H 4.500 . 5.200 3.500 3.341 3.710 . 0 0 "[ . 1]" 1
824 1 67 VAL H 1 68 GLU H 4.500 . 5.200 4.401 4.327 4.488 . 0 0 "[ . 1]" 1
825 1 69 GLU QB 1 70 VAL H 4.500 . 5.200 3.026 2.378 3.792 . 0 0 "[ . 1]" 1
826 1 69 GLU QB 1 78 ILE H 4.500 . 5.200 4.861 4.385 5.205 0.005 5 0 "[ . 1]" 1
827 1 68 GLU H 1 69 GLU H 4.500 . 5.200 4.477 4.382 4.566 . 0 0 "[ . 1]" 1
828 1 69 GLU H 1 70 VAL H 4.500 . 5.200 4.250 4.067 4.451 . 0 0 "[ . 1]" 1
829 1 70 VAL HA 1 77 ASN H 4.500 . 5.200 4.512 4.300 4.728 . 0 0 "[ . 1]" 1
830 1 70 VAL HA 1 77 ASN QD 4.500 . 5.200 4.731 4.051 5.502 0.302 3 0 "[ . 1]" 1
831 1 70 VAL HA 1 78 ILE H 4.500 . 5.200 3.278 3.062 3.519 . 0 0 "[ . 1]" 1
832 1 70 VAL HB 1 71 LEU H 4.500 . 5.200 3.662 2.424 4.267 . 0 0 "[ . 1]" 1
833 1 70 VAL QG 1 77 ASN H 4.500 . 5.200 3.778 3.237 4.408 . 0 0 "[ . 1]" 1
834 1 71 LEU HA 1 72 GLY H 4.500 . 5.200 2.229 2.174 2.283 . 0 0 "[ . 1]" 1
835 1 71 LEU QB 1 72 GLY H 4.500 . 5.200 2.845 2.462 3.184 . 0 0 "[ . 1]" 1
836 1 71 LEU QB 1 75 ASN H 4.500 . 5.200 3.799 3.135 4.382 . 0 0 "[ . 1]" 1
837 1 71 LEU QB 1 76 MET H 4.500 . 5.200 3.048 2.402 4.435 . 0 0 "[ . 1]" 1
838 1 71 LEU QD 1 72 GLY H 4.500 . 5.200 3.606 2.900 4.315 . 0 0 "[ . 1]" 1
839 1 71 LEU H 1 71 LEU HG 4.500 . 5.200 3.536 2.992 4.265 . 0 0 "[ . 1]" 1
840 1 71 LEU HG 1 72 GLY H 4.500 . 5.200 4.441 4.106 4.825 . 0 0 "[ . 1]" 1
841 1 72 GLY QA 1 75 ASN H 4.500 . 5.200 3.722 3.060 4.196 . 0 0 "[ . 1]" 1
842 1 72 GLY QA 1 76 MET H 4.500 . 5.200 5.441 4.527 6.094 0.894 4 4 "[ -*+* 1]" 1
843 1 72 GLY H 1 73 THR H 4.500 . 5.200 3.110 2.633 3.601 . 0 0 "[ . 1]" 1
844 1 72 GLY H 1 74 VAL HB 4.500 . 5.200 6.290 5.106 7.155 1.955 10 7 "[ **** *- +]" 1
845 1 74 VAL HB 1 75 ASN H 4.500 . 5.200 4.042 3.075 4.576 . 0 0 "[ . 1]" 1
846 1 75 ASN HA 1 76 MET H 4.500 . 5.200 3.028 2.844 3.208 . 0 0 "[ . 1]" 1
847 1 75 ASN QB 1 76 MET H 4.500 . 5.200 3.827 3.680 3.941 . 0 0 "[ . 1]" 1
848 1 75 ASN QD 1 76 MET H 4.500 . 5.200 5.083 4.512 5.567 0.367 3 0 "[ . 1]" 1
849 1 75 ASN H 1 76 MET H 4.500 . 5.200 2.922 2.811 3.015 . 0 0 "[ . 1]" 1
850 1 76 MET QB 1 77 ASN H 4.500 . 5.200 3.500 3.078 3.705 . 0 0 "[ . 1]" 1
851 1 76 MET H 1 76 MET ME 4.500 . 5.200 4.679 4.308 5.193 . 0 0 "[ . 1]" 1
852 1 76 MET H 1 76 MET QG 4.500 . 5.200 3.684 2.972 4.138 . 0 0 "[ . 1]" 1
853 1 76 MET QG 1 77 ASN H 4.500 . 5.200 3.061 1.801 4.214 . 0 0 "[ . 1]" 1
854 1 76 MET H 1 77 ASN H 4.500 . 5.200 4.473 4.398 4.557 . 0 0 "[ . 1]" 1
855 1 71 LEU H 1 77 ASN HA 4.500 . 5.200 3.721 3.522 4.033 . 0 0 "[ . 1]" 1
856 1 71 LEU H 1 77 ASN QB 4.500 . 5.200 4.756 4.315 5.229 0.029 2 0 "[ . 1]" 1
857 1 77 ASN QB 1 78 ILE H 4.500 . 5.200 3.478 3.225 3.689 . 0 0 "[ . 1]" 1
858 1 77 ASN H 1 78 ILE H 4.500 . 5.200 4.253 3.854 4.551 . 0 0 "[ . 1]" 1
859 1 78 ILE MD 1 79 LYS H 4.500 . 5.200 3.563 2.767 4.225 . 0 0 "[ . 1]" 1
860 1 78 ILE MD 1 94 GLU H 4.500 . 5.200 4.625 3.597 5.961 0.761 6 4 "[ * .+ *-]" 1
861 1 78 ILE H 1 78 ILE QG 4.500 . 5.200 2.948 2.260 3.789 . 0 0 "[ . 1]" 1
862 1 78 ILE H 1 78 ILE MG 4.500 . 5.200 2.917 2.649 3.174 . 0 0 "[ . 1]" 1
863 1 78 ILE MG 1 79 LYS H 4.500 . 5.200 3.809 3.598 3.980 . 0 0 "[ . 1]" 1
864 1 78 ILE MG 1 94 GLU H 4.500 . 5.200 5.535 4.843 5.870 0.670 6 4 "[** .+ -]" 1
865 1 79 LYS QB 1 80 SER H 4.500 . 5.200 2.642 2.478 2.865 . 0 0 "[ . 1]" 1
866 1 79 LYS QB 1 94 GLU H 4.500 . 5.200 3.647 3.466 3.810 . 0 0 "[ . 1]" 1
867 1 79 LYS H 1 79 LYS QE 4.500 . 5.200 3.990 2.631 4.636 . 0 0 "[ . 1]" 1
868 1 79 LYS QG 1 80 SER H 4.500 . 5.200 3.373 2.867 4.382 . 0 0 "[ . 1]" 1
869 1 79 LYS H 1 80 SER H 4.500 . 5.200 4.501 4.446 4.540 . 0 0 "[ . 1]" 1
870 1 67 VAL H 1 80 SER QB 4.500 . 5.200 3.379 2.892 4.048 . 0 0 "[ . 1]" 1
871 1 67 VAL H 1 81 PHE HA 4.500 . 5.200 3.521 3.371 3.625 . 0 0 "[ . 1]" 1
872 1 81 PHE QB 1 82 THR H 4.500 . 5.200 3.986 3.946 4.014 . 0 0 "[ . 1]" 1
873 1 81 PHE H 1 82 THR H 4.500 . 5.200 4.187 4.006 4.444 . 0 0 "[ . 1]" 1
874 1 82 THR H 1 82 THR MG 4.500 . 5.200 2.187 2.021 2.351 . 0 0 "[ . 1]" 1
875 1 82 THR H 1 83 LYS H 4.500 . 5.200 4.541 4.510 4.560 . 0 0 "[ . 1]" 1
876 1 82 THR H 1 83 LYS QB 4.500 . 5.200 5.129 4.950 5.318 0.118 2 0 "[ . 1]" 1
877 1 84 LEU QD 1 86 GLY H 4.500 . 5.200 2.583 2.153 3.199 . 0 0 "[ . 1]" 1
878 1 84 LEU QD 1 88 LYS H 4.500 . 5.200 2.827 2.621 3.049 . 0 0 "[ . 1]" 1
879 1 84 LEU H 1 84 LEU HG 4.500 . 5.200 4.387 3.957 4.756 . 0 0 "[ . 1]" 1
880 1 84 LEU HG 1 85 GLU H 4.500 . 5.200 3.997 2.197 4.978 . 0 0 "[ . 1]" 1
881 1 84 LEU HG 1 86 GLY H 4.500 . 5.200 4.650 2.438 5.412 0.212 2 0 "[ . 1]" 1
882 1 84 LEU HG 1 88 LYS H 4.500 . 5.200 5.278 3.221 6.096 0.896 1 4 "[+ . -**]" 1
883 1 83 LYS H 1 84 LEU H 4.500 . 5.200 4.209 3.987 4.340 . 0 0 "[ . 1]" 1
884 1 84 LEU H 1 85 GLU H 4.500 . 5.200 4.520 4.330 4.636 . 0 0 "[ . 1]" 1
885 1 85 GLU QB 1 86 GLY H 4.500 . 5.200 3.982 3.814 4.072 . 0 0 "[ . 1]" 1
886 1 85 GLU H 1 85 GLU QG 4.500 . 5.200 3.761 2.299 4.188 . 0 0 "[ . 1]" 1
887 1 85 GLU QG 1 86 GLY H 4.500 . 5.200 4.332 4.115 4.505 . 0 0 "[ . 1]" 1
888 1 85 GLU H 1 86 GLY QA 4.500 . 5.200 4.449 4.236 4.608 . 0 0 "[ . 1]" 1
889 1 86 GLY QA 1 88 LYS H 4.500 . 5.200 3.739 3.566 3.831 . 0 0 "[ . 1]" 1
890 1 87 SER HA 1 88 LYS H 4.500 . 5.200 2.958 2.733 3.124 . 0 0 "[ . 1]" 1
891 1 87 SER QB 1 88 LYS H 4.500 . 5.200 4.015 3.694 4.107 . 0 0 "[ . 1]" 1
892 1 88 LYS QB 1 89 LEU H 4.500 . 5.200 2.946 2.781 3.194 . 0 0 "[ . 1]" 1
893 1 88 LYS H 1 88 LYS QD 4.500 . 5.200 4.216 2.585 4.738 . 0 0 "[ . 1]" 1
894 1 88 LYS H 1 88 LYS QG 4.500 . 5.200 2.792 2.558 3.905 . 0 0 "[ . 1]" 1
895 1 86 GLY H 1 88 LYS H 4.500 . 5.200 4.129 3.932 4.488 . 0 0 "[ . 1]" 1
896 1 89 LEU QB 1 105 TYR H 4.500 . 5.200 3.837 3.553 4.072 . 0 0 "[ . 1]" 1
897 1 83 LYS H 1 89 LEU QD 4.500 . 5.200 3.009 2.462 3.718 . 0 0 "[ . 1]" 1
898 1 84 LEU H 1 89 LEU QD 4.500 . 5.200 4.217 3.390 5.186 . 0 0 "[ . 1]" 1
899 1 85 GLU H 1 89 LEU QD 4.500 . 5.200 4.831 4.517 5.272 0.072 4 0 "[ . 1]" 1
900 1 89 LEU QD 1 90 VAL H 4.500 . 5.200 2.841 2.633 3.032 . 0 0 "[ . 1]" 1
901 1 89 LEU H 1 89 LEU HG 4.500 . 5.200 4.575 4.473 4.616 . 0 0 "[ . 1]" 1
902 1 89 LEU HG 1 105 TYR H 4.500 . 5.200 5.226 4.969 5.539 0.339 1 0 "[ . 1]" 1
903 1 89 LEU H 1 90 VAL H 4.500 . 5.200 4.524 4.460 4.585 . 0 0 "[ . 1]" 1
904 1 89 LEU H 1 105 TYR H 4.500 . 5.200 3.837 3.576 4.330 . 0 0 "[ . 1]" 1
905 1 90 VAL HA 1 105 TYR H 4.500 . 5.200 2.644 2.343 2.878 . 0 0 "[ . 1]" 1
906 1 90 VAL HB 1 91 VAL H 4.500 . 5.200 3.709 2.536 3.999 . 0 0 "[ . 1]" 1
907 1 90 VAL QG 1 105 TYR H 4.500 . 5.200 3.595 3.202 4.097 . 0 0 "[ . 1]" 1
908 1 90 VAL H 1 91 VAL H 4.500 . 5.200 4.474 4.375 4.529 . 0 0 "[ . 1]" 1
909 1 82 THR H 1 91 VAL HB 4.500 . 5.200 4.669 3.446 5.952 0.752 10 3 "[ * -+]" 1
910 1 92 ASN QB 1 93 SER H 4.500 . 5.200 3.843 3.485 4.020 . 0 0 "[ . 1]" 1
911 1 79 LYS H 1 93 SER HA 4.500 . 5.200 4.842 4.633 5.160 . 0 0 "[ . 1]" 1
912 1 81 PHE H 1 93 SER HA 4.500 . 5.200 3.750 3.559 4.194 . 0 0 "[ . 1]" 1
913 1 79 LYS H 1 93 SER QB 4.500 . 5.200 5.173 4.902 5.499 0.299 6 0 "[ . 1]" 1
914 1 93 SER QB 1 94 GLU H 4.500 . 5.200 3.401 3.190 3.687 . 0 0 "[ . 1]" 1
915 1 94 GLU QB 1 95 LEU H 4.500 . 5.200 2.924 2.689 3.054 . 0 0 "[ . 1]" 1
916 1 94 GLU QG 1 95 LEU H 4.500 . 5.200 4.040 3.901 4.176 . 0 0 "[ . 1]" 1
917 1 95 LEU HA 1 97 ASP H 4.500 . 5.200 3.950 3.742 4.296 . 0 0 "[ . 1]" 1
918 1 95 LEU QB 1 98 GLY H 4.500 . 5.200 3.706 3.400 4.000 . 0 0 "[ . 1]" 1
919 1 95 LEU QD 1 98 GLY H 4.500 . 5.200 5.210 4.964 5.436 0.236 2 0 "[ . 1]" 1
920 1 95 LEU QD 1 99 ARG H 4.500 . 5.200 4.831 4.592 5.051 . 0 0 "[ . 1]" 1
921 1 95 LEU H 1 95 LEU HG 4.500 . 5.200 4.285 4.185 4.368 . 0 0 "[ . 1]" 1
922 1 95 LEU HG 1 99 ARG H 4.500 . 5.200 5.333 5.006 5.492 0.292 2 0 "[ . 1]" 1
923 1 96 PRO HA 1 97 ASP H 4.500 . 5.200 3.540 3.417 3.621 . 0 0 "[ . 1]" 1
924 1 96 PRO QB 1 97 ASP H 4.500 . 5.200 2.911 2.529 3.328 . 0 0 "[ . 1]" 1
925 1 96 PRO QD 1 97 ASP H 4.500 . 5.200 3.184 2.894 3.772 . 0 0 "[ . 1]" 1
926 1 96 PRO QG 1 97 ASP H 4.500 . 5.200 4.251 4.090 4.437 . 0 0 "[ . 1]" 1
927 1 97 ASP HA 1 98 GLY H 4.500 . 5.200 3.379 3.126 3.488 . 0 0 "[ . 1]" 1
928 1 97 ASP QB 1 98 GLY H 4.500 . 5.200 3.300 2.889 3.643 . 0 0 "[ . 1]" 1
929 1 97 ASP H 1 98 GLY H 4.500 . 5.200 2.891 2.481 3.101 . 0 0 "[ . 1]" 1
930 1 97 ASP H 1 99 ARG H 4.500 . 5.200 4.486 4.121 5.002 . 0 0 "[ . 1]" 1
931 1 98 GLY QA 1 99 ARG H 4.500 . 5.200 2.853 2.678 2.981 . 0 0 "[ . 1]" 1
932 1 98 GLY H 1 99 ARG H 4.500 . 5.200 2.616 2.220 3.211 . 0 0 "[ . 1]" 1
933 1 99 ARG HA 1 100 LYS H 4.500 . 5.200 2.500 2.333 2.650 . 0 0 "[ . 1]" 1
934 1 99 ARG QD 1 100 LYS H 4.500 . 5.200 4.873 4.177 5.158 . 0 0 "[ . 1]" 1
935 1 95 LEU H 1 100 LYS HA 4.500 . 5.200 2.199 2.072 2.568 . 0 0 "[ . 1]" 1
936 1 100 LYS H 1 100 LYS QE 4.500 . 5.200 4.162 3.290 4.971 . 0 0 "[ . 1]" 1
937 1 100 LYS H 1 101 GLY H 4.500 . 5.200 4.723 4.665 4.771 . 0 0 "[ . 1]" 1
938 1 102 THR HB 1 103 ARG H 4.500 . 5.200 3.576 2.429 4.592 . 0 0 "[ . 1]" 1
939 1 102 THR MG 1 103 ARG H 4.500 . 5.200 3.754 3.240 4.133 . 0 0 "[ . 1]" 1
940 1 91 VAL H 1 103 ARG QB 4.500 . 5.200 3.437 3.087 3.774 . 0 0 "[ . 1]" 1
941 1 103 ARG H 1 103 ARG QG 4.500 . 5.200 3.458 3.016 4.102 . 0 0 "[ . 1]" 1
942 1 104 THR HB 1 105 TYR H 4.500 . 5.200 4.081 3.392 4.416 . 0 0 "[ . 1]" 1
943 1 104 THR MG 1 105 TYR H 4.500 . 5.200 3.581 2.860 4.056 . 0 0 "[ . 1]" 1
944 1 103 ARG H 1 104 THR H 4.500 . 5.200 4.550 4.337 4.619 . 0 0 "[ . 1]" 1
945 1 104 THR H 1 105 TYR H 4.500 . 5.200 4.326 4.240 4.441 . 0 0 "[ . 1]" 1
946 1 104 THR H 1 116 MET H 4.500 . 5.200 4.715 4.444 4.907 . 0 0 "[ . 1]" 1
947 1 105 TYR HA 1 115 THR H 4.500 . 5.200 3.459 3.085 3.772 . 0 0 "[ . 1]" 1
948 1 89 LEU H 1 105 TYR QB 4.500 . 5.200 3.500 3.147 4.044 . 0 0 "[ . 1]" 1
949 1 106 GLU QB 1 107 PHE H 4.500 . 5.200 3.051 2.415 3.812 . 0 0 "[ . 1]" 1
950 1 106 GLU H 1 113 VAL H 4.500 . 5.200 3.203 2.947 3.640 . 0 0 "[ . 1]" 1
951 1 107 PHE HA 1 113 VAL H 4.500 . 5.200 4.449 3.818 5.150 . 0 0 "[ . 1]" 1
952 1 107 PHE QB 1 108 CYS H 4.500 . 5.200 3.079 1.917 3.786 . 0 0 "[ . 1]" 1
953 1 107 PHE H 1 108 CYS H 4.500 . 5.200 4.301 4.166 4.405 . 0 0 "[ . 1]" 1
954 1 108 CYS HA 1 109 ASP H 4.500 . 5.200 2.392 2.227 2.748 . 0 0 "[ . 1]" 1
955 1 108 CYS QB 1 109 ASP H 4.500 . 5.200 3.077 2.155 3.656 . 0 0 "[ . 1]" 1
956 1 108 CYS H 1 111 GLY H 4.500 . 5.200 3.831 3.351 4.614 . 0 0 "[ . 1]" 1
957 1 109 ASP HA 1 110 LYS H 4.500 . 5.200 3.513 3.450 3.577 . 0 0 "[ . 1]" 1
958 1 109 ASP HA 1 111 GLY H 4.500 . 5.200 3.680 3.459 3.904 . 0 0 "[ . 1]" 1
959 1 110 LYS HA 1 111 GLY H 4.500 . 5.200 3.307 3.209 3.422 . 0 0 "[ . 1]" 1
960 1 110 LYS H 1 110 LYS QD 4.500 . 5.200 3.990 2.165 4.971 . 0 0 "[ . 1]" 1
961 1 110 LYS H 1 110 LYS QG 4.500 . 5.200 3.182 2.032 4.122 . 0 0 "[ . 1]" 1
962 1 110 LYS H 1 111 GLY H 4.500 . 5.200 2.883 2.664 3.056 . 0 0 "[ . 1]" 1
963 1 111 GLY H 1 112 PHE H 4.500 . 5.200 4.107 3.571 4.439 . 0 0 "[ . 1]" 1
964 1 111 GLY H 1 129 ARG H 4.500 . 5.200 4.402 3.923 4.713 . 0 0 "[ . 1]" 1
965 1 108 CYS H 1 112 PHE HA 4.500 . 5.200 3.526 3.094 4.856 . 0 0 "[ . 1]" 1
966 1 108 CYS H 1 112 PHE QB 4.500 . 5.200 4.475 3.529 5.963 0.763 3 1 "[ + . 1]" 1
967 1 112 PHE H 1 127 PHE H 4.500 . 5.200 3.063 2.735 3.516 . 0 0 "[ . 1]" 1
968 1 113 VAL HA 1 125 ARG H 4.500 . 5.200 4.326 4.012 4.580 . 0 0 "[ . 1]" 1
969 1 112 PHE H 1 113 VAL H 4.500 . 5.200 4.162 3.530 4.626 . 0 0 "[ . 1]" 1
970 1 106 GLU H 1 114 LEU HA 4.500 . 5.200 4.379 3.947 4.816 . 0 0 "[ . 1]" 1
971 1 104 THR H 1 114 LEU QD 4.500 . 5.200 4.771 3.017 5.538 0.338 10 0 "[ . 1]" 1
972 1 114 LEU QD 1 115 THR H 4.500 . 5.200 3.866 3.072 4.607 . 0 0 "[ . 1]" 1
973 1 114 LEU HG 1 115 THR H 4.500 . 5.200 5.151 4.350 6.047 0.847 8 3 "[ . +-*]" 1
974 1 114 LEU HG 1 125 ARG H 4.500 . 5.200 3.941 2.444 5.475 0.275 9 0 "[ . 1]" 1
975 1 115 THR HB 1 116 MET H 4.500 . 5.200 3.963 2.462 4.528 . 0 0 "[ . 1]" 1
976 1 116 MET H 1 116 MET QG 4.500 . 5.200 4.058 2.271 4.426 . 0 0 "[ . 1]" 1
977 1 102 THR H 1 118 ALA HA 4.500 . 5.200 4.198 3.203 4.895 . 0 0 "[ . 1]" 1
978 1 118 ALA MB 1 119 GLY H 4.500 . 5.200 2.473 2.303 2.777 . 0 0 "[ . 1]" 1
979 1 118 ALA MB 1 120 ASP H 4.500 . 5.200 2.345 1.757 2.757 0.043 7 0 "[ . 1]" 1
980 1 118 ALA MB 1 121 MET H 4.500 . 5.200 2.110 1.808 2.652 . 0 0 "[ . 1]" 1
981 1 119 GLY QA 1 121 MET H 4.500 . 5.200 4.216 3.960 4.525 . 0 0 "[ . 1]" 1
982 1 119 GLY H 1 120 ASP H 4.500 . 5.200 2.513 2.180 2.756 . 0 0 "[ . 1]" 1
983 1 120 ASP HA 1 121 MET H 4.500 . 5.200 3.557 3.487 3.619 . 0 0 "[ . 1]" 1
984 1 118 ALA H 1 121 MET QB 4.500 . 5.200 4.767 4.462 5.322 0.122 3 0 "[ . 1]" 1
985 1 121 MET H 1 121 MET QG 4.500 . 5.200 3.951 3.504 4.389 . 0 0 "[ . 1]" 1
986 1 121 MET QG 1 122 VAL H 4.500 . 5.200 3.410 2.650 4.122 . 0 0 "[ . 1]" 1
987 1 121 MET H 1 122 VAL H 4.500 . 5.200 4.401 4.311 4.496 . 0 0 "[ . 1]" 1
988 1 122 VAL H 1 123 ALA H 4.500 . 5.200 4.297 4.062 4.598 . 0 0 "[ . 1]" 1
989 1 123 ALA H 1 124 LYS H 4.500 . 5.200 4.497 3.993 4.684 . 0 0 "[ . 1]" 1
990 1 116 MET H 1 124 LYS HA 4.500 . 5.200 3.881 3.485 4.318 . 0 0 "[ . 1]" 1
991 1 124 LYS H 1 124 LYS QE 4.500 . 5.200 4.959 4.253 5.401 0.201 8 0 "[ . 1]" 1
992 1 125 ARG QG 1 126 TYR H 4.500 . 5.200 4.348 3.896 4.786 . 0 0 "[ . 1]" 1
993 1 125 ARG H 1 126 TYR H 4.500 . 5.200 4.481 4.332 4.603 . 0 0 "[ . 1]" 1
994 1 12 LYS H 1 126 TYR QB 4.500 . 5.200 4.658 4.345 5.074 . 0 0 "[ . 1]" 1
995 1 126 TYR H 1 126 TYR HE1 4.500 . 5.200 4.751 4.396 5.033 . 0 0 "[ . 1]" 1
996 1 12 LYS H 1 127 PHE HA 4.500 . 5.200 3.730 3.503 4.201 . 0 0 "[ . 1]" 1
997 1 126 TYR H 1 127 PHE H 4.500 . 5.200 4.326 4.154 4.499 . 0 0 "[ . 1]" 1
998 1 111 GLY H 1 128 ILE HA 4.500 . 5.200 4.011 3.757 4.282 . 0 0 "[ . 1]" 1
999 1 128 ILE H 1 128 ILE MD 4.500 . 5.200 4.363 4.186 4.652 . 0 0 "[ . 1]" 1
1000 1 11 GLU H 1 128 ILE QG 4.500 . 5.200 4.082 3.655 4.465 . 0 0 "[ . 1]" 1
1001 1 9 LYS H 1 129 ARG HA 4.500 . 5.200 3.084 2.662 3.483 . 0 0 "[ . 1]" 1
1002 1 129 ARG QB 1 130 THR H 4.500 . 5.200 2.708 2.483 2.930 . 0 0 "[ . 1]" 1
1003 1 129 ARG H 1 129 ARG QG 4.500 . 5.200 2.491 1.865 3.176 . 0 0 "[ . 1]" 1
1004 1 129 ARG QG 1 130 THR H 4.500 . 5.200 4.149 3.684 4.715 . 0 0 "[ . 1]" 1
1005 1 129 ARG H 1 130 THR H 4.500 . 5.200 4.545 4.453 4.614 . 0 0 "[ . 1]" 1
1006 1 2 VAL HB 1 47 ASN HA 4.500 . 5.200 5.663 5.399 6.116 0.916 4 5 "[ *+.* -*1]" 1
1007 1 7 THR HA 1 43 ILE HB 4.500 . 5.200 4.070 3.472 4.613 . 0 0 "[ . 1]" 1
1008 1 7 THR HB 1 43 ILE MG 4.500 . 5.200 3.468 2.203 5.300 0.100 7 0 "[ . 1]" 1
1009 1 7 THR HB 1 130 THR HB 4.500 . 5.200 5.161 4.757 5.728 0.528 9 1 "[ . +1]" 1
1010 1 8 TYR HA 1 129 ARG HA 4.500 . 5.200 1.916 1.852 1.999 . 0 0 "[ . 1]" 1
1011 1 10 LEU QD 1 127 PHE HA 4.500 . 5.200 3.079 2.663 3.695 . 0 0 "[ . 1]" 1
1012 1 15 ASN QB 1 123 ALA MB 4.500 . 5.200 2.570 1.939 3.832 . 0 0 "[ . 1]" 1
1013 1 16 PHE HA 1 123 ALA MB 4.500 . 5.200 3.337 2.074 4.416 . 0 0 "[ . 1]" 1
1014 1 17 GLU HA 1 20 LEU QB 4.500 . 5.200 2.641 1.991 2.913 . 0 0 "[ . 1]" 1
1015 1 17 GLU HA 1 30 ILE MD 4.500 . 5.200 2.598 2.031 4.625 . 0 0 "[ . 1]" 1
1016 1 16 PHE HA 1 19 TYR QB 4.500 . 5.200 4.741 2.998 5.225 0.025 7 0 "[ . 1]" 1
1017 1 20 LEU HA 1 25 VAL HB 4.500 . 5.200 3.837 2.093 4.678 . 0 0 "[ . 1]" 1
1018 1 20 LEU QD 1 25 VAL HB 4.500 . 5.200 3.313 1.991 3.945 . 0 0 "[ . 1]" 1
1019 1 20 LEU QD 1 30 ILE HA 4.500 . 5.200 3.577 2.933 4.356 . 0 0 "[ . 1]" 1
1020 1 20 LEU QD 1 30 ILE HB 4.500 . 5.200 4.185 2.031 4.991 . 0 0 "[ . 1]" 1
1021 1 20 LEU QD 1 30 ILE QG 4.500 . 5.200 2.397 2.007 3.499 . 0 0 "[ . 1]" 1
1022 1 27 GLN HA 1 30 ILE HB 4.500 . 5.200 2.987 2.001 4.097 . 0 0 "[ . 1]" 1
1023 1 30 ILE HA 1 33 ALA MB 4.500 . 5.200 2.175 1.985 2.594 . 0 0 "[ . 1]" 1
1024 1 27 GLN QG 1 30 ILE MG 4.500 . 5.200 4.276 3.663 4.915 . 0 0 "[ . 1]" 1
1025 1 39 VAL HB 1 54 SER QB 4.500 . 5.200 2.043 1.986 2.164 . 0 0 "[ . 1]" 1
1026 1 39 VAL QG 1 54 SER QB 4.500 . 5.200 2.286 2.112 2.492 . 0 0 "[ . 1]" 1
1027 1 44 VAL QG 1 49 PHE HA 4.500 . 5.200 2.730 2.498 2.950 . 0 0 "[ . 1]" 1
1028 1 7 THR HB 1 43 ILE HB 4.500 . 5.200 4.575 3.017 5.490 0.290 6 0 "[ . 1]" 1
1029 1 50 THR HA 1 62 ILE HA 4.500 . 5.200 2.055 1.900 2.371 . 0 0 "[ . 1]" 1
1030 1 66 GLU QB 1 81 PHE QB 4.500 . 5.200 3.369 2.475 4.328 . 0 0 "[ . 1]" 1
1031 1 66 GLU QB 1 81 PHE HA 4.500 . 5.200 2.468 1.962 3.328 . 0 0 "[ . 1]" 1
1032 1 68 GLU HA 1 79 LYS HA 4.500 . 5.200 2.261 2.031 2.486 . 0 0 "[ . 1]" 1
1033 1 70 VAL HA 1 77 ASN HA 4.500 . 5.200 2.095 2.001 2.343 . 0 0 "[ . 1]" 1
1034 1 71 LEU QD 1 73 THR MG 4.500 . 5.200 5.760 5.504 5.935 0.735 4 6 "[ *+.* **-]" 1
1035 1 72 GLY QA 1 75 ASN HA 4.500 . 5.200 4.032 3.306 4.713 . 0 0 "[ . 1]" 1
1036 1 80 SER HA 1 93 SER HA 4.500 . 5.200 2.418 2.140 2.859 . 0 0 "[ . 1]" 1
1037 1 80 SER HA 1 93 SER QB 4.500 . 5.200 3.838 3.366 4.570 . 0 0 "[ . 1]" 1
1038 1 80 SER QB 1 93 SER HA 4.500 . 5.200 3.961 2.973 4.371 . 0 0 "[ . 1]" 1
1039 1 89 LEU QD 1 105 TYR QB 4.500 . 5.200 2.171 1.909 2.945 . 0 0 "[ . 1]" 1
1040 1 90 VAL HA 1 104 THR HB 4.500 . 5.200 3.884 3.039 4.689 . 0 0 "[ . 1]" 1
1041 1 92 ASN HA 1 102 THR HB 4.500 . 5.200 3.762 3.071 4.495 . 0 0 "[ . 1]" 1
1042 1 23 LEU QB 1 95 LEU QD 4.500 . 5.200 3.963 3.052 4.205 . 0 0 "[ . 1]" 1
1043 1 95 LEU QD 1 99 ARG QD 4.500 . 5.200 5.466 4.967 5.751 0.551 9 2 "[ . +-]" 1
1044 1 103 ARG HA 1 116 MET QB 4.500 . 5.200 3.334 2.143 4.123 . 0 0 "[ . 1]" 1
1045 1 105 TYR HA 1 114 LEU HA 4.500 . 5.200 2.708 2.368 3.131 . 0 0 "[ . 1]" 1
1046 1 105 TYR HA 1 114 LEU QD 4.500 . 5.200 3.960 2.977 5.075 . 0 0 "[ . 1]" 1
1047 1 101 GLY QA 1 118 ALA MB 4.500 . 5.200 3.270 2.474 4.083 . 0 0 "[ . 1]" 1
1048 1 117 CYS HA 1 122 VAL HA 4.500 . 5.200 2.425 2.120 2.634 . 0 0 "[ . 1]" 1
1049 1 117 CYS HA 1 122 VAL QG 4.500 . 5.200 2.538 1.966 3.379 . 0 0 "[ . 1]" 1
1050 1 12 LYS QG 1 126 TYR QB 4.500 . 5.200 5.402 5.147 5.583 0.383 1 0 "[ . 1]" 1
1051 1 12 LYS QG 1 126 TYR HD1 4.500 . 5.200 5.244 4.222 5.604 0.404 1 0 "[ . 1]" 1
1052 1 113 VAL QG 1 126 TYR HE1 4.500 . 5.200 4.767 4.590 4.928 . 0 0 "[ . 1]" 1
1053 1 9 LYS HA 1 127 PHE QD 4.500 . 5.200 4.822 4.069 5.444 0.244 8 0 "[ . 1]" 1
1054 1 8 TYR HA 1 129 ARG QB 4.500 . 5.200 3.445 3.249 3.734 . 0 0 "[ . 1]" 1
1055 1 7 THR HB 1 43 ILE HA 4.500 . 5.200 3.985 2.851 4.659 . 0 0 "[ . 1]" 1
1056 1 7 THR H 1 130 THR H 4.500 . 5.200 4.984 3.930 5.534 0.334 9 0 "[ . 1]" 1
1057 1 38 VAL HA 1 55 SER HA 4.500 . 5.200 3.664 3.321 4.155 . 0 0 "[ . 1]" 1
1058 1 53 SER H 1 60 THR H 4.500 . 5.200 4.877 4.763 4.987 . 0 0 "[ . 1]" 1
1059 1 20 LEU HA 1 23 LEU HG 4.500 . 5.200 2.754 1.977 4.651 . 0 0 "[ . 1]" 1
1060 1 9 LYS H 1 41 GLU HA 4.500 . 5.200 5.018 4.691 5.226 0.026 9 0 "[ . 1]" 1
1061 1 114 LEU HA 1 125 ARG H 4.500 . 5.200 4.565 4.439 4.755 . 0 0 "[ . 1]" 1
1062 1 14 GLU H 1 124 LYS QB 4.500 . 5.200 5.033 4.537 5.423 0.223 8 0 "[ . 1]" 1
1063 1 14 GLU H 1 124 LYS QG 4.500 . 5.200 5.443 5.080 5.958 0.758 4 2 "[ - +. 1]" 1
1064 1 65 GLU H 1 83 LYS HA 4.500 . 5.200 4.311 3.812 4.676 . 0 0 "[ . 1]" 1
1065 1 65 GLU H 1 84 LEU QD 4.500 . 5.200 5.771 5.353 6.094 0.894 3 6 "[ *+ **-* 1]" 1
1066 1 65 GLU HA 1 83 LYS HA 4.500 . 5.200 6.140 5.919 6.337 1.137 3 10 [**+*****-*] 1
1067 1 16 PHE QB 1 33 ALA MB 4.500 . 5.200 5.289 4.829 5.752 0.552 10 1 "[ . +]" 1
1068 1 16 PHE QB 1 34 ASN QB 4.500 . 5.200 2.236 1.928 2.986 . 0 0 "[ . 1]" 1
1069 1 43 ILE MD 1 50 THR MG 4.500 . 5.200 3.844 2.720 4.426 . 0 0 "[ . 1]" 1
1070 1 53 SER H 1 60 THR HB 4.500 . 5.200 4.409 4.155 4.853 . 0 0 "[ . 1]" 1
1071 1 29 SER QB 1 73 THR HB 4.500 . 5.200 4.604 4.046 5.193 . 0 0 "[ . 1]" 1
1072 1 6 GLY H 1 7 THR H 4.500 . 5.200 4.217 3.929 4.456 . 0 0 "[ . 1]" 1
1073 1 8 TYR H 1 9 LYS H 4.500 . 5.200 4.436 4.257 4.517 . 0 0 "[ . 1]" 1
1074 1 14 GLU H 1 15 ASN H 4.500 . 5.200 4.371 4.201 4.469 . 0 0 "[ . 1]" 1
1075 1 66 GLU H 1 67 VAL H 4.500 . 5.200 4.405 4.270 4.564 . 0 0 "[ . 1]" 1
1076 1 70 VAL H 1 71 LEU H 4.500 . 5.200 4.489 4.337 4.710 . 0 0 "[ . 1]" 1
1077 1 101 GLY H 1 102 THR H 4.500 . 5.200 4.316 4.180 4.496 . 0 0 "[ . 1]" 1
1078 1 29 SER HA 1 32 LYS QB 4.500 . 5.200 3.888 2.908 4.219 . 0 0 "[ . 1]" 1
1079 1 67 VAL QG 1 80 SER QB 4.500 . 5.200 2.225 1.866 2.535 . 0 0 "[ . 1]" 1
1080 1 61 LEU QB 1 67 VAL QG 4.500 . 5.200 2.662 1.928 3.170 . 0 0 "[ . 1]" 1
1081 1 9 LYS HA 1 127 PHE QB 4.500 . 5.200 3.584 2.314 4.319 . 0 0 "[ . 1]" 1
1082 1 15 ASN HA 1 123 ALA HA 4.500 . 5.200 4.330 3.774 4.644 . 0 0 "[ . 1]" 1
1083 1 12 LYS QB 1 126 TYR H 4.500 . 5.200 3.359 2.767 3.690 . 0 0 "[ . 1]" 1
1084 1 41 GLU QB 1 52 LYS H 4.500 . 5.200 3.569 3.377 3.810 . 0 0 "[ . 1]" 1
1085 1 44 VAL HB 1 49 PHE QB 4.500 . 5.200 4.450 4.017 4.860 . 0 0 "[ . 1]" 1
1086 1 53 SER H 1 59 SER QB 4.500 . 5.200 2.792 2.387 3.367 . 0 0 "[ . 1]" 1
1087 1 53 SER QB 1 59 SER H 4.500 . 5.200 4.048 3.186 4.617 . 0 0 "[ . 1]" 1
1088 1 52 LYS QB 1 60 THR HB 4.500 . 5.200 2.156 2.032 2.339 . 0 0 "[ . 1]" 1
1089 1 51 PHE QB 1 61 LEU HG 4.500 . 5.200 3.449 2.564 3.891 . 0 0 "[ . 1]" 1
1090 1 9 LYS QG 1 41 GLU QG 4.500 . 5.200 2.724 2.125 3.674 . 0 0 "[ . 1]" 1
1091 1 31 LYS HA 1 34 ASN QB 4.500 . 5.200 3.666 2.397 4.449 . 0 0 "[ . 1]" 1
1092 1 39 VAL QG 1 54 SER H 4.500 . 5.200 3.424 3.112 3.672 . 0 0 "[ . 1]" 1
1093 1 69 GLU H 1 78 ILE QG 4.500 . 5.200 4.056 3.573 4.574 . 0 0 "[ . 1]" 1
1094 1 78 ILE MG 1 95 LEU HA 4.500 . 5.200 2.679 2.209 3.347 . 0 0 "[ . 1]" 1
1095 1 104 THR H 1 115 THR HB 4.500 . 5.200 4.351 3.345 5.420 0.220 5 0 "[ . 1]" 1
1096 1 106 GLU QB 1 113 VAL HB 4.500 . 5.200 3.649 2.311 4.549 . 0 0 "[ . 1]" 1
1097 1 77 ASN H 1 96 PRO QG 4.500 . 5.200 5.104 4.642 5.387 0.187 10 0 "[ . 1]" 1
1098 1 6 GLY H 1 45 ASN HA 4.500 . 5.200 4.236 3.706 4.659 . 0 0 "[ . 1]" 1
1099 1 50 THR HA 1 62 ILE MG 4.500 . 5.200 2.875 2.212 3.654 . 0 0 "[ . 1]" 1
1100 1 8 TYR H 1 42 ILE QG 4.500 . 5.200 4.059 2.651 4.859 . 0 0 "[ . 1]" 1
1101 1 9 LYS QG 1 41 GLU HA 4.500 . 5.200 3.047 2.490 4.069 . 0 0 "[ . 1]" 1
1102 1 10 LEU HA 1 127 PHE QB 4.500 . 5.200 2.863 2.349 3.776 . 0 0 "[ . 1]" 1
1103 1 10 LEU QB 1 127 PHE HA 4.500 . 5.200 4.064 3.581 4.424 . 0 0 "[ . 1]" 1
1104 1 13 ASN QB 1 125 ARG QB 4.500 . 5.200 3.107 2.595 3.594 . 0 0 "[ . 1]" 1
1105 1 14 GLU QB 1 124 LYS QG 4.500 . 5.200 3.422 2.932 3.859 . 0 0 "[ . 1]" 1
1106 1 42 ILE MG 1 51 PHE QB 4.500 . 5.200 3.690 2.019 4.914 . 0 0 "[ . 1]" 1
1107 1 44 VAL QG 1 49 PHE QB 4.500 . 5.200 2.538 2.001 2.910 . 0 0 "[ . 1]" 1
1108 1 50 THR MG 1 62 ILE HA 4.500 . 5.200 3.236 2.601 3.949 . 0 0 "[ . 1]" 1
1109 1 28 ASP HA 1 32 LYS QG 4.500 . 5.200 4.645 4.374 4.887 . 0 0 "[ . 1]" 1
1110 1 40 TYR QD 1 53 SER QB 4.500 . 5.200 3.091 2.277 3.779 . 0 0 "[ . 1]" 1
1111 1 40 TYR HA 1 53 SER QB 4.500 . 5.200 3.803 3.286 4.369 . 0 0 "[ . 1]" 1
1112 1 41 GLU QB 1 43 ILE QG 4.500 . 5.200 5.029 4.152 5.718 0.518 1 1 "[+ . 1]" 1
1113 1 53 SER QB 1 59 SER QB 4.500 . 5.200 3.244 2.093 3.919 . 0 0 "[ . 1]" 1
1114 1 67 VAL HB 1 80 SER QB 4.500 . 5.200 4.182 3.491 4.544 . 0 0 "[ . 1]" 1
1115 1 66 GLU QB 1 82 THR H 4.500 . 5.200 3.603 2.725 4.538 . 0 0 "[ . 1]" 1
1116 1 68 GLU QB 1 79 LYS QG 4.500 . 5.200 2.565 1.963 3.698 . 0 0 "[ . 1]" 1
1117 1 68 GLU HA 1 79 LYS QG 4.500 . 5.200 2.729 2.038 3.820 . 0 0 "[ . 1]" 1
1118 1 3 GLN HA 1 3 GLN HE21 4.500 . 5.200 3.201 2.304 3.865 . 0 0 "[ . 1]" 1
1119 1 58 ASN H 1 58 ASN HD21 4.500 . 5.200 4.297 3.388 4.880 . 0 0 "[ . 1]" 1
1120 1 95 LEU H 1 95 LEU MD2 4.500 . 5.200 2.551 2.346 2.654 . 0 0 "[ . 1]" 1
1121 1 7 THR H 1 8 TYR QD 4.500 . 5.200 3.853 3.150 4.502 . 0 0 "[ . 1]" 1
1122 1 22 ALA H 1 23 LEU MD2 4.500 . 5.200 4.600 4.215 5.088 . 0 0 "[ . 1]" 1
1123 1 26 PRO HD2 1 27 GLN H 4.500 . 5.200 5.417 5.257 5.622 0.422 9 0 "[ . 1]" 1
1124 1 44 VAL H 1 45 ASN QD 4.500 . 5.200 3.480 2.804 4.262 . 0 0 "[ . 1]" 1
1125 1 60 THR H 1 61 LEU HG 4.500 . 5.200 5.147 4.862 5.557 0.357 9 0 "[ . 1]" 1
1126 1 63 VAL HB 1 64 ASN HD21 4.500 . 5.200 4.055 2.903 4.811 . 0 0 "[ . 1]" 1
1127 1 63 VAL HB 1 64 ASN HD22 4.500 . 5.200 4.733 3.666 5.577 0.377 1 0 "[ . 1]" 1
1128 1 64 ASN H 1 65 GLU HG2 4.500 . 5.200 4.805 4.345 5.242 0.042 6 0 "[ . 1]" 1
1129 1 76 MET HA 1 77 ASN HD21 4.500 . 5.200 3.170 2.764 3.480 . 0 0 "[ . 1]" 1
1130 1 76 MET HB2 1 77 ASN HD21 4.500 . 5.200 5.559 5.272 5.924 0.724 9 2 "[ .- +1]" 1
1131 1 76 MET ME 1 77 ASN H 4.500 . 5.200 3.606 2.340 4.962 . 0 0 "[ . 1]" 1
1132 1 78 ILE H 1 79 LYS H 4.500 . 5.200 4.471 4.403 4.553 . 0 0 "[ . 1]" 1
1133 1 3 GLN HE21 1 5 ALA MB 4.500 . 6.000 4.580 4.219 5.084 . 0 0 "[ . 1]" 1
1134 1 3 GLN HE22 1 5 ALA MB 4.500 . 6.000 5.302 4.074 6.210 0.210 5 0 "[ . 1]" 1
1135 1 3 GLN HE21 1 6 GLY HA2 4.500 . 6.000 2.321 1.893 2.948 . 0 0 "[ . 1]" 1
1136 1 3 GLN HE22 1 6 GLY HA2 4.500 . 6.000 2.756 2.251 4.190 . 0 0 "[ . 1]" 1
1137 1 10 LEU QD 1 13 ASN H 4.500 . 5.200 3.660 2.911 4.072 . 0 0 "[ . 1]" 1
1138 1 10 LEU HG 1 13 ASN QD 4.500 . 5.200 4.467 3.364 5.179 . 0 0 "[ . 1]" 1
1139 1 15 ASN HA 1 17 GLU H 4.500 . 5.200 3.231 2.859 3.608 . 0 0 "[ . 1]" 1
1140 1 15 ASN H 1 18 GLU H 4.500 . 5.200 4.600 4.033 5.346 0.146 2 0 "[ . 1]" 1
1141 1 14 GLU H 1 16 PHE H 4.500 . 5.200 3.742 3.451 4.326 . 0 0 "[ . 1]" 1
1142 1 15 ASN HD22 1 18 GLU HB2 4.500 . 5.200 3.532 2.704 5.045 . 0 0 "[ . 1]" 1
1143 1 15 ASN HD21 1 18 GLU HB2 4.500 . 5.200 3.468 2.526 5.296 0.096 2 0 "[ . 1]" 1
1144 1 15 ASN HD21 1 18 GLU HG2 4.500 . 5.200 3.546 2.016 5.095 . 0 0 "[ . 1]" 1
1145 1 17 GLU H 1 21 ALA MB 4.500 . 6.000 5.791 5.497 6.443 0.443 2 0 "[ . 1]" 1
1146 1 25 VAL QG 1 27 GLN H 4.500 . 5.200 5.027 4.739 5.239 0.039 9 0 "[ . 1]" 1
1147 1 22 ALA H 1 25 VAL QG 4.500 . 5.200 5.739 5.451 5.865 0.665 8 7 "[-* *** +*1]" 1
1148 1 27 GLN HE21 1 29 SER H 4.500 . 5.200 5.362 3.652 6.102 0.902 5 4 "[ - + * *1]" 1
1149 1 27 GLN HE22 1 31 LYS QD 4.500 . 6.000 5.737 3.342 6.730 0.730 9 1 "[ . +1]" 1
1150 1 27 GLN HB2 1 31 LYS H 4.500 . 5.200 5.127 4.618 5.420 0.220 6 0 "[ . 1]" 1
1151 1 29 SER H 1 32 LYS QE 4.500 . 5.200 4.511 3.810 5.655 0.455 8 0 "[ . 1]" 1
1152 1 45 ASN QD 1 48 LYS H 4.500 . 5.200 5.209 3.795 6.161 0.961 1 3 "[+ - *]" 1
1153 1 45 ASN QD 1 48 LYS QD 4.500 . 5.200 3.508 2.461 4.537 . 0 0 "[ . 1]" 1
1154 1 45 ASN QD 1 48 LYS HG2 4.500 . 5.200 4.480 3.019 5.895 0.695 10 1 "[ . +]" 1
1155 1 72 GLY H 1 75 ASN HA 4.500 . 5.200 5.620 5.405 5.993 0.793 3 3 "[ + . -*1]" 1
1156 1 85 GLU QG 1 87 SER H 4.500 . 5.200 4.865 4.315 5.776 0.576 3 1 "[ + . 1]" 1
1157 1 85 GLU QG 1 88 LYS H 4.500 . 6.000 4.818 3.824 5.903 . 0 0 "[ . 1]" 1
1158 1 90 VAL QG 1 92 ASN HD21 4.500 . 5.200 4.982 3.927 5.462 0.262 7 0 "[ . 1]" 1
1159 1 91 VAL QG 1 93 SER H 4.500 . 6.000 4.147 3.383 5.076 . 0 0 "[ . 1]" 1
1160 1 98 GLY HA2 1 100 LYS H 4.500 . 5.200 4.194 3.943 4.817 . 0 0 "[ . 1]" 1
1161 1 118 ALA H 1 122 VAL QG 4.500 . 6.000 2.833 2.404 3.971 . 0 0 "[ . 1]" 1
1162 1 2 VAL HB 1 47 ASN HD21 4.500 . 5.200 5.317 4.403 5.775 0.575 2 2 "[-+ . 1]" 1
1163 1 2 VAL QG 1 45 ASN QD 4.500 . 5.200 4.693 3.848 5.172 . 0 0 "[ . 1]" 1
1164 1 2 VAL QG 1 48 LYS H 4.500 . 5.200 3.830 2.786 4.182 . 0 0 "[ . 1]" 1
1165 1 2 VAL QG 1 47 ASN HD21 4.500 . 5.200 3.439 2.563 4.416 . 0 0 "[ . 1]" 1
1166 1 8 TYR H 1 130 THR H 4.500 . 6.000 5.275 4.795 5.798 . 0 0 "[ . 1]" 1
1167 1 10 LEU QD 1 128 ILE H 4.500 . 5.200 4.470 4.099 4.864 . 0 0 "[ . 1]" 1
1168 1 11 GLU HA 1 128 ILE H 4.500 . 5.200 4.682 4.287 5.149 . 0 0 "[ . 1]" 1
1169 1 15 ASN HD22 1 122 VAL H 4.500 . 5.200 4.752 3.770 6.158 0.958 9 3 "[ .-* +1]" 1
1170 1 20 LEU QD 1 33 ALA H 4.500 . 5.200 5.322 4.368 6.092 0.892 2 2 "[ + . -1]" 1
1171 1 13 ASN QD 1 34 ASN HA 4.500 . 5.200 3.641 2.710 4.235 . 0 0 "[ . 1]" 1
1172 1 44 VAL HA 1 49 PHE H 4.500 . 5.200 4.997 4.865 5.156 . 0 0 "[ . 1]" 1
1173 1 44 VAL MG1 1 49 PHE H 4.500 . 5.200 5.160 4.769 5.412 0.212 8 0 "[ . 1]" 1
1174 1 3 GLN HE22 1 45 ASN HA 4.500 . 5.200 5.359 4.614 6.088 0.888 5 3 "[- + * 1]" 1
1175 1 45 ASN H 1 50 THR H 4.500 . 5.200 5.189 5.031 5.361 0.161 3 0 "[ . 1]" 1
1176 1 41 GLU H 1 52 LYS HB2 4.500 . 5.200 4.763 4.569 4.974 . 0 0 "[ . 1]" 1
1177 1 39 VAL H 1 54 SER HA 4.500 . 5.200 5.942 5.566 6.214 1.014 1 8 "[+** ***- *]" 1
1178 1 61 LEU MD2 1 81 PHE H 4.500 . 5.200 5.661 5.382 6.068 0.868 4 3 "[ * +. - 1]" 1
1179 1 67 VAL HA 1 80 SER H 4.500 . 5.200 4.893 4.776 5.036 . 0 0 "[ . 1]" 1
1180 1 68 GLU H 1 80 SER H 4.500 . 5.200 5.010 4.894 5.109 . 0 0 "[ . 1]" 1
1181 1 70 VAL HA 1 77 ASN HD21 4.500 . 6.000 4.897 4.134 5.730 . 0 0 "[ . 1]" 1
1182 1 70 VAL HB 1 77 ASN HD21 4.500 . 5.200 4.448 3.952 5.376 0.176 3 0 "[ . 1]" 1
1183 1 34 ASN HD21 1 71 LEU HB2 4.500 . 5.200 5.114 3.755 5.493 0.293 9 0 "[ . 1]" 1
1184 1 34 ASN HD22 1 71 LEU HB2 4.500 . 5.200 5.072 4.375 5.439 0.239 3 0 "[ . 1]" 1
1185 1 71 LEU QD 1 77 ASN H 4.500 . 5.200 5.051 4.270 5.417 0.217 1 0 "[ . 1]" 1
1186 1 34 ASN H 1 74 VAL QG 4.500 . 5.200 4.051 3.357 4.650 . 0 0 "[ . 1]" 1
1187 1 34 ASN HD21 1 74 VAL QG 4.500 . 5.200 3.046 2.010 3.770 . 0 0 "[ . 1]" 1
1188 1 34 ASN HD22 1 74 VAL QG 4.500 . 5.200 3.277 2.741 4.314 . 0 0 "[ . 1]" 1
1189 1 35 SER H 1 74 VAL QG 4.500 . 5.200 5.568 4.930 6.024 0.824 4 5 "[ *+* - *]" 1
1190 1 68 GLU H 1 79 LYS HA 4.500 . 6.000 4.906 4.607 5.139 . 0 0 "[ . 1]" 1
1191 1 67 VAL H 1 81 PHE HB2 4.500 . 5.200 5.033 4.732 5.231 0.031 3 0 "[ . 1]" 1
1192 1 64 ASN H 1 83 LYS HA 4.500 . 5.200 3.356 2.888 3.910 . 0 0 "[ . 1]" 1
1193 1 64 ASN H 1 84 LEU H 4.500 . 5.200 3.452 2.604 3.857 . 0 0 "[ . 1]" 1
1194 1 84 LEU H 1 90 VAL H 4.500 . 6.000 4.775 4.638 4.854 . 0 0 "[ . 1]" 1
1195 1 64 ASN H 1 89 LEU QD 4.500 . 6.000 3.173 2.567 4.173 . 0 0 "[ . 1]" 1
1196 1 85 GLU H 1 90 VAL H 4.500 . 5.200 4.230 3.773 4.642 . 0 0 "[ . 1]" 1
1197 1 79 LYS H 1 94 GLU QG 4.500 . 5.200 2.487 2.355 2.593 . 0 0 "[ . 1]" 1
1198 1 81 PHE H 1 94 GLU H 4.500 . 5.200 4.697 4.400 4.952 . 0 0 "[ . 1]" 1
1199 1 95 LEU MD2 1 100 LYS H 4.500 . 5.200 4.312 4.156 4.490 . 0 0 "[ . 1]" 1
1200 1 93 SER H 1 103 ARG HB2 4.500 . 5.200 3.425 2.941 3.971 . 0 0 "[ . 1]" 1
1201 1 106 GLU H 1 113 VAL QG 4.500 . 5.200 4.022 3.841 4.146 . 0 0 "[ . 1]" 1
1202 1 15 ASN HD21 1 123 ALA HA 4.500 . 5.200 4.086 3.450 4.533 . 0 0 "[ . 1]" 1
1203 1 15 ASN HD21 1 123 ALA MB 4.500 . 5.200 4.819 4.280 5.252 0.052 4 0 "[ . 1]" 1
1204 1 16 PHE H 1 123 ALA MB 4.500 . 5.200 3.815 3.244 4.515 . 0 0 "[ . 1]" 1
1205 1 17 GLU H 1 123 ALA MB 4.500 . 5.200 5.108 4.567 5.722 0.522 2 1 "[ + . 1]" 1
1206 1 18 GLU H 1 123 ALA MB 4.500 . 5.200 4.192 3.723 4.697 . 0 0 "[ . 1]" 1
1207 1 15 ASN H 1 124 LYS H 4.500 . 6.000 4.817 4.638 5.014 . 0 0 "[ . 1]" 1
1208 1 14 GLU H 1 126 TYR HE1 4.500 . 6.000 5.345 4.737 5.777 . 0 0 "[ . 1]" 1
1209 1 8 TYR H 1 129 ARG QB 4.500 . 5.200 5.115 4.922 5.354 0.154 1 0 "[ . 1]" 1
1210 1 4 LEU MD1 1 5 ALA MB 4.500 . 6.000 3.575 2.142 4.203 . 0 0 "[ . 1]" 1
1211 1 4 LEU MD2 1 5 ALA HA 4.500 . 6.000 3.562 3.351 3.758 . 0 0 "[ . 1]" 1
1212 1 11 GLU QG 1 12 LYS HG2 4.500 . 6.000 4.680 2.494 5.679 . 0 0 "[ . 1]" 1
1213 1 18 GLU HB2 1 19 TYR HA 4.500 . 6.000 5.050 4.469 5.644 . 0 0 "[ . 1]" 1
1214 1 20 LEU QB 1 21 ALA HA 4.500 . 6.000 4.248 4.143 4.401 . 0 0 "[ . 1]" 1
1215 1 22 ALA MB 1 23 LEU MD1 4.500 . 6.000 4.507 3.951 4.827 . 0 0 "[ . 1]" 1
1216 1 25 VAL QG 1 26 PRO QG 4.500 . 6.000 3.672 3.576 3.857 . 0 0 "[ . 1]" 1
1217 1 25 VAL HB 1 26 PRO HD2 4.500 . 6.000 4.326 4.262 4.450 . 0 0 "[ . 1]" 1
1218 1 25 VAL HA 1 26 PRO QG 4.500 . 6.000 3.854 3.765 3.958 . 0 0 "[ . 1]" 1
1219 1 35 SER HA 1 36 PRO HD2 4.500 . 6.000 2.268 2.056 2.525 . 0 0 "[ . 1]" 1
1220 1 35 SER HA 1 36 PRO QG 4.500 . 6.000 3.997 3.861 4.196 . 0 0 "[ . 1]" 1
1221 1 35 SER QB 1 36 PRO QG 4.500 . 6.000 4.394 3.807 5.008 . 0 0 "[ . 1]" 1
1222 1 63 VAL QG 1 64 ASN QB 4.500 . 6.000 2.835 2.407 3.408 . 0 0 "[ . 1]" 1
1223 1 65 GLU HA 1 66 GLU QB 4.500 . 6.000 4.186 3.765 4.697 . 0 0 "[ . 1]" 1
1224 1 73 THR HA 1 74 VAL QG 4.500 . 6.000 4.500 3.685 4.799 . 0 0 "[ . 1]" 1
1225 1 95 LEU HA 1 96 PRO HG2 4.500 . 6.000 4.518 4.324 4.604 . 0 0 "[ . 1]" 1
1226 1 118 ALA HA 1 119 GLY HA2 4.500 . 6.000 4.495 4.375 4.622 . 0 0 "[ . 1]" 1
1227 1 10 LEU QD 1 12 LYS HA 4.500 . 6.000 3.053 2.795 3.381 . 0 0 "[ . 1]" 1
1228 1 10 LEU QD 1 13 ASN HA 4.500 . 5.200 3.738 3.060 4.321 . 0 0 "[ . 1]" 1
1229 1 17 GLU HA 1 20 LEU QD 4.500 . 5.200 3.580 2.141 4.156 . 0 0 "[ . 1]" 1
1230 1 17 GLU QB 1 21 ALA MB 4.500 . 5.200 3.594 3.137 4.304 . 0 0 "[ . 1]" 1
1231 1 17 GLU QG 1 21 ALA MB 4.500 . 6.000 4.561 4.206 5.175 . 0 0 "[ . 1]" 1
1232 1 18 GLU HB2 1 22 ALA MB 4.500 . 5.200 5.376 4.083 5.972 0.772 5 1 "[ + 1]" 1
1233 1 17 GLU QB 1 20 LEU QB 4.500 . 5.200 4.253 3.595 4.487 . 0 0 "[ . 1]" 1
1234 1 17 GLU HA 1 21 ALA MB 4.500 . 5.200 3.845 3.329 4.382 . 0 0 "[ . 1]" 1
1235 1 21 ALA HA 1 25 VAL QG 4.500 . 6.000 4.081 3.734 4.880 . 0 0 "[ . 1]" 1
1236 1 21 ALA MB 1 25 VAL QG 4.500 . 6.000 4.576 4.227 5.240 . 0 0 "[ . 1]" 1
1237 1 27 GLN HA 1 30 ILE HG12 4.500 . 5.200 4.948 4.220 6.138 0.938 10 2 "[ - . +]" 1
1238 1 27 GLN QG 1 31 LYS QD 4.500 . 5.200 3.773 2.724 5.703 0.503 4 1 "[ +. 1]" 1
1239 1 27 GLN QG 1 31 LYS QE 4.500 . 5.200 4.466 3.977 5.770 0.570 4 1 "[ +. 1]" 1
1240 1 27 GLN QG 1 31 LYS HG3 4.500 . 5.200 5.030 4.557 5.514 0.314 1 0 "[ . 1]" 1
1241 1 28 ASP QB 1 32 LYS QE 4.500 . 5.200 3.784 3.077 4.574 . 0 0 "[ . 1]" 1
1242 1 29 SER QB 1 32 LYS QE 4.500 . 5.200 4.142 2.897 5.526 0.326 8 0 "[ . 1]" 1
1243 1 27 GLN HA 1 30 ILE HA 4.500 . 6.000 5.241 4.748 5.870 . 0 0 "[ . 1]" 1
1244 1 28 ASP HA 1 32 LYS QE 4.500 . 5.200 4.694 4.254 5.524 0.324 7 0 "[ . 1]" 1
1245 1 38 VAL HB 1 40 TYR HB2 4.500 . 5.200 4.305 3.622 5.232 0.032 1 0 "[ . 1]" 1
1246 1 35 SER QB 1 38 VAL MG2 4.500 . 6.000 4.456 3.357 5.280 . 0 0 "[ . 1]" 1
1247 1 39 VAL QG 1 41 GLU HA 4.500 . 5.200 4.360 3.946 4.616 . 0 0 "[ . 1]" 1
1248 1 38 VAL MG1 1 40 TYR HD1 4.500 . 5.200 4.209 2.128 5.102 . 0 0 "[ . 1]" 1
1249 1 42 ILE HG12 1 44 VAL MG1 4.500 . 5.200 3.711 2.581 5.232 0.032 8 0 "[ . 1]" 1
1250 1 63 VAL QG 1 65 GLU HG2 4.500 . 5.200 4.764 4.655 4.891 . 0 0 "[ . 1]" 1
1251 1 65 GLU HB2 1 67 VAL MG2 4.500 . 6.000 6.041 5.099 6.712 0.712 10 1 "[ . +]" 1
1252 1 71 LEU QD 1 74 VAL HB 4.500 . 5.200 3.733 2.986 4.091 . 0 0 "[ . 1]" 1
1253 1 84 LEU MD2 1 88 LYS QG 4.500 . 5.200 5.039 4.180 5.781 0.581 9 1 "[ . +1]" 1
1254 1 88 LYS QG 1 90 VAL QG 4.500 . 5.200 3.630 2.671 4.792 . 0 0 "[ . 1]" 1
1255 1 90 VAL QG 1 92 ASN HA 4.500 . 5.200 4.044 3.770 4.579 . 0 0 "[ . 1]" 1
1256 1 91 VAL QG 1 93 SER HA 4.500 . 5.200 4.149 3.391 4.941 . 0 0 "[ . 1]" 1
1257 1 94 GLU QG 1 96 PRO HA 4.500 . 5.200 5.027 4.730 5.360 0.160 2 0 "[ . 1]" 1
1258 1 95 LEU MD2 1 99 ARG HA 4.500 . 5.200 5.197 5.016 5.394 0.194 5 0 "[ . 1]" 1
1259 1 94 GLU QG 1 96 PRO HB3 4.500 . 6.000 5.881 5.466 6.376 0.376 6 0 "[ . 1]" 1
1260 1 118 ALA MB 1 121 MET HB2 4.500 . 5.200 3.544 3.063 4.404 . 0 0 "[ . 1]" 1
1261 1 118 ALA MB 1 122 VAL HB 4.500 . 5.200 5.713 5.204 6.078 0.878 1 6 "[+ *** *-1]" 1
1262 1 122 VAL QG 1 124 LYS QE 4.500 . 5.200 2.367 1.912 3.270 . 0 0 "[ . 1]" 1
1263 1 124 LYS HB2 1 126 TYR HE1 4.500 . 6.000 5.325 4.691 6.022 0.022 8 0 "[ . 1]" 1
1264 1 2 VAL HB 1 47 ASN QB 4.500 . 5.200 3.288 2.497 3.842 . 0 0 "[ . 1]" 1
1265 1 2 VAL QG 1 45 ASN HB2 4.500 . 5.200 3.039 2.101 3.713 . 0 0 "[ . 1]" 1
1266 1 2 VAL QG 1 48 LYS HA 4.500 . 5.200 5.148 4.090 5.628 0.428 3 0 "[ . 1]" 1
1267 1 2 VAL QG 1 47 ASN HA 4.500 . 5.200 4.056 3.612 4.260 . 0 0 "[ . 1]" 1
1268 1 4 LEU MD2 1 87 SER HA 4.500 . 5.200 5.177 4.848 5.552 0.352 7 0 "[ . 1]" 1
1269 1 4 LEU MD2 1 87 SER HB2 4.500 . 5.200 5.251 4.568 5.969 0.769 5 2 "[ + - 1]" 1
1270 1 8 TYR QD 1 111 GLY HA2 4.500 . 5.200 4.302 3.918 4.875 . 0 0 "[ . 1]" 1
1271 1 8 TYR QD 1 129 ARG HA 4.500 . 5.200 2.902 2.004 3.495 . 0 0 "[ . 1]" 1
1272 1 9 LYS QB 1 130 THR HA 4.500 . 5.200 3.298 2.762 4.726 . 0 0 "[ . 1]" 1
1273 1 9 LYS QB 1 130 THR HB 4.500 . 5.200 4.056 3.262 5.762 0.562 9 2 "[ - . +1]" 1
1274 1 10 LEU HA 1 114 LEU QD 4.500 . 5.200 5.363 4.570 6.537 1.337 6 2 "[ - .+ 1]" 1
1275 1 10 LEU QD 1 36 PRO HA 4.500 . 5.200 2.245 2.040 2.555 . 0 0 "[ . 1]" 1
1276 1 10 LEU QD 1 38 VAL HB 4.500 . 5.200 2.529 1.848 3.645 . 0 0 "[ . 1]" 1
1277 1 10 LEU QD 1 125 ARG HB2 4.500 . 5.200 4.081 2.909 5.701 0.501 8 1 "[ . + 1]" 1
1278 1 10 LEU HG 1 36 PRO HA 4.500 . 5.200 3.113 2.229 4.733 . 0 0 "[ . 1]" 1
1279 1 13 ASN HB2 1 114 LEU QD 4.500 . 5.200 5.531 4.619 6.108 0.908 3 3 "[* + . - 1]" 1
1280 1 17 GLU HA 1 27 GLN HA 4.500 . 5.200 4.901 4.335 5.983 0.783 9 2 "[ -. +1]" 1
1281 1 19 TYR HA 1 121 MET HB2 4.500 . 5.200 4.849 3.532 6.007 0.807 2 1 "[ + . 1]" 1
1282 1 20 LEU QD 1 33 ALA MB 4.500 . 5.200 3.369 2.237 5.249 0.049 2 0 "[ . 1]" 1
1283 1 25 VAL QG 1 75 ASN HB2 4.500 . 5.200 4.946 3.432 5.483 0.283 5 0 "[ . 1]" 1
1284 1 20 LEU QB 1 30 ILE HB 4.500 . 5.200 4.101 3.671 4.609 . 0 0 "[ . 1]" 1
1285 1 25 VAL HB 1 30 ILE HG12 4.500 . 5.200 3.705 2.660 5.445 0.245 2 0 "[ . 1]" 1
1286 1 10 LEU HB2 1 38 VAL MG2 4.500 . 5.200 5.146 4.783 5.774 0.574 1 1 "[+ . 1]" 1
1287 1 10 LEU HG 1 38 VAL MG2 4.500 . 5.200 4.220 3.761 4.908 . 0 0 "[ . 1]" 1
1288 1 39 VAL HB 1 54 SER HA 4.500 . 5.200 4.649 4.446 4.930 . 0 0 "[ . 1]" 1
1289 1 61 LEU HA 1 67 VAL MG2 4.500 . 5.200 4.259 3.694 4.848 . 0 0 "[ . 1]" 1
1290 1 61 LEU HB2 1 82 THR HB 4.500 . 5.200 5.286 3.755 5.765 0.565 10 2 "[ - +]" 1
1291 1 61 LEU MD2 1 91 VAL HB 4.500 . 6.000 4.811 3.923 5.728 . 0 0 "[ . 1]" 1
1292 1 61 LEU HG 1 67 VAL HB 4.500 . 6.000 4.074 3.775 4.924 . 0 0 "[ . 1]" 1
1293 1 61 LEU MD1 1 67 VAL HB 4.500 . 5.200 4.565 4.318 5.250 0.050 7 0 "[ . 1]" 1
1294 1 61 LEU MD2 1 67 VAL HB 4.500 . 5.200 2.196 2.041 2.645 . 0 0 "[ . 1]" 1
1295 1 59 SER HA 1 69 GLU QB 4.500 . 5.200 4.925 4.521 5.226 0.026 4 0 "[ . 1]" 1
1296 1 33 ALA MB 1 71 LEU HB2 4.500 . 5.200 4.131 3.390 4.626 . 0 0 "[ . 1]" 1
1297 1 34 ASN HB2 1 74 VAL QG 4.500 . 5.200 4.740 3.318 5.506 0.306 4 0 "[ . 1]" 1
1298 1 78 ILE HG12 1 93 SER HB2 4.500 . 6.000 5.560 5.074 6.618 0.618 9 1 "[ . +1]" 1
1299 1 80 SER HA 1 91 VAL QG 4.500 . 5.200 3.525 2.857 4.101 . 0 0 "[ . 1]" 1
1300 1 61 LEU MD1 1 80 SER QB 4.500 . 6.000 5.042 4.404 5.484 . 0 0 "[ . 1]" 1
1301 1 61 LEU MD2 1 80 SER QB 4.500 . 6.000 3.223 2.943 3.590 . 0 0 "[ . 1]" 1
1302 1 80 SER QB 1 91 VAL QG 4.500 . 6.000 2.768 1.991 3.570 . 0 0 "[ . 1]" 1
1303 1 66 GLU QB 1 81 PHE HB2 4.500 . 5.200 3.503 2.500 4.625 . 0 0 "[ . 1]" 1
1304 1 61 LEU MD2 1 82 THR H 4.500 . 6.000 4.085 3.721 4.963 . 0 0 "[ . 1]" 1
1305 1 82 THR H 1 89 LEU QD 4.500 . 5.200 4.809 4.472 5.306 0.106 4 0 "[ . 1]" 1
1306 1 83 LYS HA 1 89 LEU QD 4.500 . 6.000 4.256 3.972 4.987 . 0 0 "[ . 1]" 1
1307 1 83 LYS QE 1 89 LEU QD 4.500 . 5.200 5.364 4.899 5.676 0.476 6 0 "[ . 1]" 1
1308 1 88 LYS QG 1 106 GLU QB 4.500 . 5.200 4.804 4.034 5.219 0.019 5 0 "[ . 1]" 1
1309 1 63 VAL QG 1 89 LEU HA 4.500 . 5.200 5.491 5.332 5.630 0.430 6 0 "[ . 1]" 1
1310 1 84 LEU MD2 1 89 LEU HA 4.500 . 5.200 2.927 2.278 4.874 . 0 0 "[ . 1]" 1
1311 1 63 VAL QG 1 89 LEU HB2 4.500 . 6.000 5.016 4.826 5.265 . 0 0 "[ . 1]" 1
1312 1 63 VAL HA 1 89 LEU QD 4.500 . 5.200 3.142 2.826 3.764 . 0 0 "[ . 1]" 1
1313 1 82 THR HB 1 89 LEU QD 4.500 . 5.200 2.076 1.871 2.560 . 0 0 "[ . 1]" 1
1314 1 79 LYS QD 1 94 GLU QG 4.500 . 5.200 3.718 3.132 4.119 . 0 0 "[ . 1]" 1
1315 1 95 LEU MD2 1 100 LYS HA 4.500 . 5.200 2.095 1.948 2.453 . 0 0 "[ . 1]" 1
1316 1 91 VAL HA 1 103 ARG HB2 4.500 . 5.200 5.121 4.810 5.518 0.318 9 0 "[ . 1]" 1
1317 1 106 GLU QB 1 113 VAL QG 4.500 . 5.200 3.929 3.189 4.710 . 0 0 "[ . 1]" 1
1318 1 105 TYR QB 1 112 PHE HA 4.500 . 5.200 5.115 4.383 5.707 0.507 6 1 "[ .+ 1]" 1
1319 1 113 VAL HB 1 126 TYR HA 4.500 . 5.200 5.249 5.043 5.469 0.269 4 0 "[ . 1]" 1
1320 1 113 VAL QG 1 126 TYR HA 4.500 . 5.200 3.164 2.974 3.301 . 0 0 "[ . 1]" 1
1321 1 10 LEU QD 1 114 LEU QD 4.500 . 5.200 3.799 3.005 5.030 . 0 0 "[ . 1]" 1
1322 1 115 THR HA 1 124 LYS QD 4.500 . 6.000 3.875 3.519 4.556 . 0 0 "[ . 1]" 1
1323 1 117 CYS HB2 1 122 VAL QG 4.500 . 5.200 3.655 2.515 4.973 . 0 0 "[ . 1]" 1
1324 1 113 VAL QG 1 124 LYS HB2 4.500 . 5.200 3.134 2.254 4.085 . 0 0 "[ . 1]" 1
1325 1 14 GLU HA 1 125 ARG HA 4.500 . 6.000 4.968 4.528 5.314 . 0 0 "[ . 1]" 1
1326 1 12 LYS QB 1 126 TYR HD1 4.500 . 5.200 3.700 3.355 3.973 . 0 0 "[ . 1]" 1
1327 1 12 LYS QE 1 126 TYR HD1 4.500 . 5.200 5.258 4.397 5.660 0.460 7 0 "[ . 1]" 1
1328 1 14 GLU HB2 1 126 TYR HD1 4.500 . 5.200 5.252 4.682 5.640 0.440 7 0 "[ . 1]" 1
1329 1 14 GLU HB2 1 126 TYR HE1 4.500 . 5.200 4.939 4.161 5.554 0.354 7 0 "[ . 1]" 1
1330 1 11 GLU HA 1 127 PHE HA 4.500 . 5.200 4.929 4.547 5.527 0.327 10 0 "[ . 1]" 1
1331 1 11 GLU QG 1 127 PHE HA 4.500 . 5.200 3.882 3.172 4.533 . 0 0 "[ . 1]" 1
1332 1 10 LEU QD 1 127 PHE HD1 4.500 . 5.200 2.424 1.997 4.290 . 0 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 64
_Distance_constraint_stats_list.Viol_count 183
_Distance_constraint_stats_list.Viol_total 504.048
_Distance_constraint_stats_list.Viol_max 1.318
_Distance_constraint_stats_list.Viol_rms 0.1981
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0788
_Distance_constraint_stats_list.Viol_average_violations_only 0.2754
_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 8 TYR 0.095 0.038 6 0 "[ . 1]"
1 9 LYS 0.012 0.012 2 0 "[ . 1]"
1 10 LEU 8.955 1.105 5 8 "[*-**+* **]"
1 12 LYS 0.900 0.251 10 0 "[ . 1]"
1 14 GLU 11.292 1.016 2 8 "[-+**. ****]"
1 15 ASN 6.188 1.012 4 4 "[-**+. 1]"
1 16 PHE 0.431 0.342 4 0 "[ . 1]"
1 17 GLU 1.125 0.820 2 1 "[ + . 1]"
1 18 GLU 0.873 0.693 3 1 "[ + . 1]"
1 19 TYR 8.496 1.318 2 4 "[-+**. 1]"
1 20 LEU 0.431 0.342 4 0 "[ . 1]"
1 21 ALA 1.125 0.820 2 1 "[ + . 1]"
1 22 ALA 0.873 0.693 3 1 "[ + . 1]"
1 23 LEU 2.307 1.318 2 1 "[ + . 1]"
1 40 TYR 8.955 1.105 5 8 "[*-**+* **]"
1 41 GLU 0.007 0.007 8 0 "[ . 1]"
1 42 ILE 0.095 0.038 6 0 "[ . 1]"
1 43 ILE 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 2.305 0.363 6 0 "[ . 1]"
1 48 LYS 2.305 0.363 6 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 PHE 0.734 0.636 8 1 "[ . + 1]"
1 52 LYS 0.007 0.007 8 0 "[ . 1]"
1 53 SER 0.156 0.052 5 0 "[ . 1]"
1 59 SER 0.156 0.052 5 0 "[ . 1]"
1 61 LEU 0.734 0.636 8 1 "[ . + 1]"
1 67 VAL 0.070 0.038 5 0 "[ . 1]"
1 80 SER 0.070 0.038 5 0 "[ . 1]"
1 83 LYS 0.513 0.101 5 0 "[ . 1]"
1 85 GLU 0.000 0.000 . 0 "[ . 1]"
1 88 LYS 0.000 0.000 . 0 "[ . 1]"
1 90 VAL 0.513 0.101 5 0 "[ . 1]"
1 91 VAL 0.480 0.095 3 0 "[ . 1]"
1 93 SER 0.823 0.297 10 0 "[ . 1]"
1 101 GLY 0.823 0.297 10 0 "[ . 1]"
1 103 ARG 0.480 0.095 3 0 "[ . 1]"
1 104 THR 0.107 0.081 4 0 "[ . 1]"
1 106 GLU 2.467 0.542 2 2 "[ +- . 1]"
1 109 ASP 9.949 1.211 10 8 "[ -****** +]"
1 112 PHE 0.278 0.073 2 0 "[ . 1]"
1 113 VAL 2.467 0.542 2 2 "[ +- . 1]"
1 114 LEU 0.006 0.006 5 0 "[ . 1]"
1 115 THR 0.107 0.081 4 0 "[ . 1]"
1 116 MET 0.330 0.138 6 0 "[ . 1]"
1 123 ALA 0.330 0.138 6 0 "[ . 1]"
1 124 LYS 11.292 1.016 2 8 "[-+**. ****]"
1 125 ARG 0.006 0.006 5 0 "[ . 1]"
1 126 TYR 0.900 0.251 10 0 "[ . 1]"
1 127 PHE 0.278 0.073 2 0 "[ . 1]"
1 128 ILE 0.012 0.012 2 0 "[ . 1]"
1 129 ARG 9.949 1.211 10 8 "[ -****** +]"
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 8 TYR N 1 42 ILE O 2.500 . 3.000 2.846 2.803 2.900 . 0 0 "[ . 1]" 2
2 1 8 TYR H 1 42 ILE O 2.200 . 2.700 1.857 1.790 1.963 0.010 9 0 "[ . 1]" 2
3 1 8 TYR O 1 42 ILE N 2.500 . 3.000 2.840 2.696 2.968 . 0 0 "[ . 1]" 2
4 1 8 TYR O 1 42 ILE H 2.200 . 2.700 1.848 1.762 2.003 0.038 6 0 "[ . 1]" 2
5 1 9 LYS N 1 128 ILE O 2.500 . 3.000 2.842 2.787 2.909 . 0 0 "[ . 1]" 2
6 1 9 LYS H 1 128 ILE O 2.200 . 2.700 1.901 1.788 2.083 0.012 2 0 "[ . 1]" 2
7 1 9 LYS O 1 128 ILE N 2.500 . 3.000 2.730 2.661 2.829 . 0 0 "[ . 1]" 2
8 1 9 LYS O 1 128 ILE H 2.200 . 2.700 1.996 1.867 2.142 . 0 0 "[ . 1]" 2
9 1 10 LEU N 1 40 TYR O 2.500 . 3.000 3.516 3.285 3.768 0.768 6 5 "[*- *+ *1]" 2
10 1 10 LEU H 1 40 TYR O 2.200 . 2.700 3.072 2.627 3.805 1.105 5 4 "[ *-+ *]" 2
11 1 12 LYS N 1 126 TYR O 2.500 . 3.000 3.024 2.874 3.251 0.251 10 0 "[ . 1]" 2
12 1 12 LYS H 1 126 TYR O 2.200 . 2.700 2.057 1.875 2.334 . 0 0 "[ . 1]" 2
13 1 12 LYS O 1 126 TYR N 2.500 . 3.000 2.881 2.725 3.123 0.123 3 0 "[ . 1]" 2
14 1 12 LYS O 1 126 TYR H 2.200 . 2.700 1.970 1.767 2.511 0.033 2 0 "[ . 1]" 2
15 1 14 GLU N 1 124 LYS O 2.500 . 3.000 3.240 3.046 3.553 0.553 4 1 "[ +. 1]" 2
16 1 14 GLU H 1 124 LYS O 2.200 . 2.700 2.611 2.341 3.108 0.408 4 0 "[ . 1]" 2
17 1 14 GLU O 1 124 LYS N 2.500 . 3.000 3.637 3.434 4.016 1.016 2 7 "[-+* . ****]" 2
18 1 14 GLU O 1 124 LYS H 2.200 . 2.700 2.854 2.536 3.173 0.473 7 0 "[ . 1]" 2
19 1 15 ASN O 1 19 TYR N 2.500 . 3.000 3.510 3.135 4.012 1.012 4 4 "[-**+. 1]" 2
20 1 15 ASN O 1 19 TYR H 2.200 . 2.700 2.602 2.190 3.317 0.617 3 1 "[ + . 1]" 2
21 1 16 PHE O 1 20 LEU N 2.500 . 3.000 2.959 2.807 3.342 0.342 4 0 "[ . 1]" 2
22 1 16 PHE O 1 20 LEU H 2.200 . 2.700 2.045 1.873 2.347 . 0 0 "[ . 1]" 2
23 1 17 GLU O 1 21 ALA N 2.500 . 3.000 2.865 2.685 3.820 0.820 2 1 "[ + . 1]" 2
24 1 17 GLU O 1 21 ALA H 2.200 . 2.700 1.941 1.759 2.911 0.211 2 0 "[ . 1]" 2
25 1 18 GLU O 1 22 ALA N 2.500 . 3.000 2.953 2.760 3.693 0.693 3 1 "[ + . 1]" 2
26 1 18 GLU O 1 22 ALA H 2.200 . 2.700 2.002 1.777 2.858 0.158 3 0 "[ . 1]" 2
27 1 19 TYR O 1 23 LEU N 2.500 . 3.000 3.064 2.864 4.318 1.318 2 1 "[ + . 1]" 2
28 1 19 TYR O 1 23 LEU H 2.200 . 2.700 2.237 1.933 3.651 0.951 2 1 "[ + . 1]" 2
29 1 41 GLU O 1 52 LYS N 2.500 . 3.000 2.834 2.792 2.908 . 0 0 "[ . 1]" 2
30 1 41 GLU O 1 52 LYS H 2.200 . 2.700 1.897 1.793 1.941 0.007 8 0 "[ . 1]" 2
31 1 43 ILE N 1 50 THR O 2.500 . 3.000 2.841 2.779 2.890 . 0 0 "[ . 1]" 2
32 1 43 ILE H 1 50 THR O 2.200 . 2.700 1.907 1.821 1.984 . 0 0 "[ . 1]" 2
33 1 45 ASN O 1 48 LYS N 2.500 . 3.000 3.079 2.753 3.209 0.209 4 0 "[ . 1]" 2
34 1 45 ASN O 1 48 LYS H 2.200 . 2.700 2.647 2.011 3.063 0.363 6 0 "[ . 1]" 2
35 1 51 PHE N 1 61 LEU O 2.500 . 3.000 2.920 2.845 3.018 0.018 1 0 "[ . 1]" 2
36 1 51 PHE H 1 61 LEU O 2.200 . 2.700 1.936 1.845 2.051 . 0 0 "[ . 1]" 2
37 1 51 PHE O 1 61 LEU N 2.500 . 3.000 2.961 2.776 3.636 0.636 8 1 "[ . + 1]" 2
38 1 51 PHE O 1 61 LEU H 2.200 . 2.700 1.995 1.768 2.747 0.047 8 0 "[ . 1]" 2
39 1 53 SER N 1 59 SER O 2.500 . 3.000 2.778 2.739 2.834 . 0 0 "[ . 1]" 2
40 1 53 SER H 1 59 SER O 2.200 . 2.700 1.807 1.748 1.893 0.052 5 0 "[ . 1]" 2
41 1 67 VAL N 1 80 SER O 2.500 . 3.000 2.803 2.756 2.891 . 0 0 "[ . 1]" 2
42 1 67 VAL H 1 80 SER O 2.200 . 2.700 1.829 1.762 1.909 0.038 5 0 "[ . 1]" 2
43 1 85 GLU N 1 88 LYS O 2.500 . 3.000 2.847 2.776 2.927 . 0 0 "[ . 1]" 2
44 1 85 GLU H 1 88 LYS O 2.200 . 2.700 1.884 1.816 1.983 . 0 0 "[ . 1]" 2
45 1 83 LYS O 1 90 VAL N 2.500 . 3.000 2.737 2.685 2.844 . 0 0 "[ . 1]" 2
46 1 83 LYS O 1 90 VAL H 2.200 . 2.700 1.764 1.699 1.910 0.101 5 0 "[ . 1]" 2
47 1 91 VAL N 1 103 ARG O 2.500 . 3.000 2.764 2.718 2.854 . 0 0 "[ . 1]" 2
48 1 91 VAL H 1 103 ARG O 2.200 . 2.700 1.764 1.705 1.873 0.095 3 0 "[ . 1]" 2
49 1 93 SER O 1 101 GLY N 2.500 . 3.000 3.046 2.888 3.297 0.297 10 0 "[ . 1]" 2
50 1 93 SER O 1 101 GLY H 2.200 . 2.700 2.062 1.882 2.357 . 0 0 "[ . 1]" 2
51 1 106 GLU N 1 113 VAL O 2.500 . 3.000 3.247 3.005 3.542 0.542 2 2 "[ +- . 1]" 2
52 1 106 GLU H 1 113 VAL O 2.200 . 2.700 2.353 2.103 2.618 . 0 0 "[ . 1]" 2
53 1 112 PHE N 1 127 PHE O 2.500 . 3.000 2.744 2.676 2.836 . 0 0 "[ . 1]" 2
54 1 112 PHE H 1 127 PHE O 2.200 . 2.700 1.923 1.727 2.625 0.073 2 0 "[ . 1]" 2
55 1 112 PHE O 1 127 PHE N 2.500 . 3.000 2.917 2.812 3.071 0.071 4 0 "[ . 1]" 2
56 1 112 PHE O 1 127 PHE H 2.200 . 2.700 1.953 1.799 2.115 0.001 7 0 "[ . 1]" 2
57 1 114 LEU N 1 125 ARG O 2.500 . 3.000 2.767 2.701 2.972 . 0 0 "[ . 1]" 2
58 1 114 LEU H 1 125 ARG O 2.200 . 2.700 1.893 1.794 2.005 0.006 5 0 "[ . 1]" 2
59 1 104 THR O 1 115 THR N 2.500 . 3.000 2.822 2.718 2.909 . 0 0 "[ . 1]" 2
60 1 104 THR O 1 115 THR H 2.200 . 2.700 1.864 1.719 2.026 0.081 4 0 "[ . 1]" 2
61 1 116 MET N 1 123 ALA O 2.500 . 3.000 2.912 2.638 3.138 0.138 6 0 "[ . 1]" 2
62 1 116 MET H 1 123 ALA O 2.200 . 2.700 2.063 1.754 2.355 0.046 7 0 "[ . 1]" 2
63 1 109 ASP O 1 129 ARG N 2.700 2.200 3.500 4.206 3.887 4.711 1.211 10 8 "[ -****** +]" 2
64 1 109 ASP O 1 129 ARG H 2.200 . 3.000 3.283 2.949 3.861 0.861 10 1 "[ . +]" 2
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