NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575810 |
2mi2   |
19618 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mi2
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 1256
_Distance_constraint_stats_list.Viol_count 15114
_Distance_constraint_stats_list.Viol_total 242623.031
_Distance_constraint_stats_list.Viol_max 2.723
_Distance_constraint_stats_list.Viol_rms 0.7001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8585
_Distance_constraint_stats_list.Viol_average_violations_only 1.0702
_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 237.673 2.230 13 15 [*******-****+**]
1 2 PHE 393.110 2.189 11 15 [**********+****]
1 3 ASP 319.000 2.259 11 15 [**********+*-**]
1 4 ILE 582.010 2.471 13 15 [**********-*+**]
1 5 GLY 164.168 2.259 11 15 [**********+***-]
1 6 PHE 262.584 2.471 13 15 [****-*******+**]
1 7 SER 117.828 2.095 15 15 [************-*+]
1 8 GLU 226.542 2.139 15 15 [************-*+]
1 9 LEU 294.722 2.185 7 15 [*-****+********]
1 10 LEU 318.976 2.243 13 15 [*-**********+**]
1 11 LEU 323.441 2.131 5 15 [****+********-*]
1 12 VAL 418.056 2.243 13 15 [*-**********+**]
1 13 PHE 428.906 2.167 13 15 [*******-****+**]
1 14 ILE 603.142 2.249 9 15 [********+****-*]
1 15 ILE 452.663 2.240 13 15 [************+-*]
1 16 GLY 250.416 2.723 13 15 [*******-****+**]
1 17 LEU 557.031 2.723 13 15 [*******-****+**]
1 18 VAL 309.154 2.106 12 15 [***********+*-*]
1 19 VAL 246.077 2.072 2 15 [*+********-****]
1 20 LEU 276.878 2.072 2 15 [*+*******-*****]
1 21 GLY 172.411 1.913 1 15 [+*********-****]
1 22 PRO 123.970 2.142 2 15 [*+*******-*****]
1 23 GLN 113.491 1.777 1 15 [+**************]
1 24 ARG 224.079 2.142 2 15 [*+*********-***]
1 25 LEU 227.214 2.241 1 15 [+**********-***]
1 26 PRO 163.491 1.958 9 15 [********+**-***]
1 27 VAL 217.622 2.020 1 15 [+*********-****]
1 28 ALA 143.733 2.020 1 15 [+*****-********]
1 29 VAL 229.432 2.241 1 15 [+***********-**]
1 30 LYS 166.147 1.931 6 15 [*****+****-****]
1 31 THR 291.856 2.205 4 15 [***+**-********]
1 32 VAL 316.320 2.208 12 15 [*-*********+***]
1 33 ALA 251.018 2.147 11 15 [******-***+****]
1 34 GLY 171.358 1.960 11 15 [****-*****+****]
1 35 TRP 448.818 2.208 12 15 [*-*********+***]
1 36 ILE 312.018 2.167 3 15 [**+***-********]
1 37 ARG 226.967 2.146 11 15 [***-******+****]
1 38 ALA 259.868 2.101 3 15 [**+*-**********]
1 39 LEU 197.592 2.133 10 15 [*-*******+*****]
1 40 ARG 254.622 2.126 3 15 [**+**********-*]
1 41 SER 362.242 2.152 5 15 [***-+**********]
1 42 LEU 475.660 2.133 10 15 [******-**+*****]
1 43 ALA 349.512 2.419 11 15 [**-*******+****]
1 44 THR 527.256 2.692 8 15 [*******+**-****]
1 45 THR 458.733 2.088 10 15 [******-**+*****]
1 46 VAL 240.024 2.419 11 15 [****-*****+****]
1 47 GLN 408.526 2.178 11 15 [**********+****]
1 48 ASN 377.822 2.692 8 15 [*******+*******]
1 49 GLU 177.657 1.963 14 15 [*******-*****+*]
1 50 LEU 186.248 1.845 10 15 [******-**+*****]
1 51 THR 396.583 2.157 9 15 [*-******+******]
1 52 GLN 294.266 2.191 7 15 [******+******-*]
1 53 GLU 209.645 2.041 11 15 [**********+**-*]
1 54 LEU 288.186 2.191 7 15 [******+**-*****]
1 55 LYS 229.323 2.340 2 15 [*+*******-*****]
1 56 LEU 245.976 2.076 6 15 [*****+*********]
1 57 GLN 155.704 2.627 10 15 [********-+*****]
1 58 GLU 105.800 2.340 2 15 [*+****-********]
1 59 PHE 223.541 2.627 10 15 [*********+****-]
1 60 GLN 344.117 2.176 15 15 [************-*+]
1 61 ASP 219.931 2.051 10 15 [*-*******+*****]
1 62 SER 264.053 2.196 14 15 [*************+*]
1 63 LEU 525.007 2.105 5 15 [****+********-*]
1 64 LYS 299.235 2.204 14 15 [*-***********+*]
1 65 LYS 427.433 2.119 10 15 [********-+*****]
1 66 VAL 487.073 2.315 9 15 [********+******]
1 67 GLU 314.342 2.069 9 15 [********+******]
1 68 LYS 324.939 2.315 9 15 [********+*****-]
1 69 ALA 466.982 2.275 8 15 [**-****+*******]
1 70 SER 351.845 2.260 4 15 [***+*****-*****]
1 71 LEU 260.197 2.069 8 15 [*******+**-****]
1 72 THR 405.321 2.103 6 15 [*****+****-****]
1 73 ASN 376.074 2.260 4 15 [**-+***********]
1 74 LEU 405.842 2.275 8 15 [*******+*****-*]
1 75 THR 375.456 2.033 4 15 [-**+***********]
1 76 PRO 122.553 1.864 13 15 [************+**]
1 77 GLU 162.284 1.783 6 15 [*****+*****-***]
1 78 LEU 445.721 2.070 9 15 [********+**-***]
1 79 LYS 509.854 2.128 6 15 [-****+*********]
1 80 ALA 288.242 2.064 7 15 [******+*****-**]
1 81 SER 315.171 2.027 15 15 [***********-**+]
1 82 MET 383.038 2.128 6 15 [*****+*****-***]
1 83 ASP 426.208 2.069 13 15 [******-*****+**]
1 84 GLU 363.724 2.127 6 15 [*****+-********]
1 85 LEU 440.377 2.140 6 15 [*****+-********]
1 86 ARG 642.047 2.140 6 15 [*-***+*********]
1 87 GLN 357.955 2.170 12 15 [*-*********+***]
1 88 ALA 338.497 2.069 13 15 [************+-*]
1 89 ALA 376.010 2.045 14 15 [*********-***+*]
1 90 GLU 375.545 2.170 12 15 [**********-+***]
1 91 SER 311.779 2.156 11 15 [***-******+****]
1 92 MET 247.688 2.075 10 15 [***-*****+*****]
1 93 LYS 357.260 2.170 12 15 [********-**+***]
1 94 ARG 300.783 2.209 10 15 [*********+****-]
1 95 SER 267.228 2.132 1 15 [+*************-]
1 96 TYR 490.383 2.474 14 15 [*************+-]
1 97 VAL 505.944 2.209 10 15 [*-*******+*****]
1 98 ALA 376.788 2.474 14 15 [*************+*]
1 99 ASN 176.871 2.374 4 15 [***+***********]
1 100 ASP 235.706 2.560 8 15 [*******+*****-*]
1 101 PRO 208.466 2.589 9 15 [******-*+******]
1 102 LEU 268.956 2.450 14 15 [******-******+*]
1 103 GLU 181.829 2.589 9 15 [**-*****+******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 2 PHE HA . . 2.500 4.550 4.336 4.621 2.121 14 15 [*********-***+*] 1
2 1 2 PHE QB 1 3 ASP H . . 2.000 2.576 2.168 2.673 0.673 8 14 "[*******+** **-*]" 1
3 1 2 PHE QB 1 4 ILE QG . . 4.000 4.200 3.888 4.258 0.258 12 0 "[ . 1 .]" 1
4 1 2 PHE HZ 1 4 ILE MD . . 3.500 5.576 5.538 5.648 2.148 11 15 [******-***+****] 1
5 1 4 ILE MD 1 7 SER QB . . 3.500 3.736 3.316 5.595 2.095 15 2 "[ . 1 - +]" 1
6 1 6 PHE QB 1 9 LEU QD . . 3.000 4.153 3.255 4.442 1.442 2 13 "[*+ **** ******-]" 1
7 1 6 PHE QD 1 7 SER QB . . 4.000 4.144 3.619 4.257 0.257 3 0 "[ . 1 .]" 1
8 1 5 GLY H 1 8 GLU QB . . 3.500 5.259 4.358 5.583 2.083 12 15 [******-****+***] 1
9 1 8 GLU H 1 12 VAL QG . . 3.500 5.318 5.177 5.410 1.910 9 15 [**-*****+******] 1
10 1 9 LEU QD 1 11 LEU H . . 4.010 5.195 4.836 5.571 1.561 11 15 [*****-****+****] 1
11 1 9 LEU HG 1 13 PHE QD . . 4.010 5.877 5.120 6.177 2.167 13 15 [***********-+**] 1
12 1 7 SER QB 1 10 LEU H . . 4.000 5.351 5.138 5.608 1.608 15 15 [-*************+] 1
13 1 9 LEU HG 1 10 LEU H . . 2.500 4.297 3.856 4.569 2.069 13 15 [******-*****+**] 1
14 1 10 LEU H 1 12 VAL QG . . 3.520 5.185 5.071 5.379 1.859 13 15 [*-**********+**] 1
15 1 10 LEU HA 1 12 VAL H . . 3.000 5.049 4.953 5.243 2.243 13 15 [*******-****+**] 1
16 1 10 LEU HA 1 14 ILE MG . . 4.520 6.321 6.124 6.433 1.913 11 15 [**********+*-**] 1
17 1 10 LEU HA 1 14 ILE MD . . 3.010 4.304 2.990 4.788 1.778 5 11 "[-***+*** * **]" 1
18 1 10 LEU QB 1 14 ILE MG . . 3.500 5.579 5.523 5.678 2.178 13 15 [-***********+**] 1
19 1 10 LEU QB 1 14 ILE MD . . 2.500 4.054 2.706 4.601 2.101 1 12 "[+******* *- **]" 1
20 1 11 LEU HG 1 12 VAL QG . . 3.500 3.894 3.652 3.979 0.479 3 0 "[ . 1 .]" 1
21 1 11 LEU H 1 12 VAL QG . . 4.000 4.428 4.278 4.555 0.555 1 3 "[+ . 1* -.]" 1
22 1 11 LEU H 1 14 ILE MD . . 4.010 5.561 4.045 6.133 2.123 5 12 "[****+*** *- **]" 1
23 1 11 LEU HG 1 14 ILE MG . . 3.000 4.954 4.432 5.057 2.057 6 15 [*****+****-****] 1
24 1 11 LEU HA 1 14 ILE MD . . 3.010 4.509 2.954 5.014 2.004 5 12 "[****+*** *- **]" 1
25 1 11 LEU QB 1 15 ILE MD . . 3.000 4.722 4.640 4.864 1.864 13 15 [**********-*+**] 1
26 1 11 LEU HA 1 15 ILE MD . . 3.500 4.066 3.936 4.196 0.696 12 14 "[ **********+*-*]" 1
27 1 11 LEU QB 1 15 ILE MG . . 4.010 6.042 5.882 6.141 2.131 5 15 [****+*******-**] 1
28 1 11 LEU QB 1 12 VAL HA . . 3.000 4.102 3.921 4.236 1.236 11 15 [********-*+****] 1
29 1 12 VAL H 1 15 ILE MD . . 3.510 5.610 5.592 5.737 2.227 13 15 [**********-*+**] 1
30 1 12 VAL QG 1 13 PHE HA . . 3.000 3.426 3.303 3.672 0.672 13 2 "[ - 1 + .]" 1
31 1 12 VAL QG 1 13 PHE QD . . 3.500 4.687 4.512 4.856 1.356 13 15 [********-***+**] 1
32 1 13 PHE HA 1 14 ILE MD . . 3.500 5.248 4.319 5.561 2.061 6 15 [*****+****-****] 1
33 1 13 PHE QD 1 14 ILE MG . . 4.010 5.315 5.035 5.883 1.873 11 15 [***-******+****] 1
34 1 13 PHE QD 1 14 ILE MD . . 3.000 2.992 2.784 3.323 0.323 1 0 "[ . 1 .]" 1
35 1 13 PHE QB 1 17 LEU QD . . 4.000 4.343 3.948 4.540 0.540 15 5 "[ * . *- 1* +]" 1
36 1 10 LEU QB 1 14 ILE H . . 3.500 4.802 4.712 4.957 1.457 1 15 [+*******-******] 1
37 1 13 PHE QE 1 14 ILE MD . . 3.000 4.199 3.815 4.791 1.791 13 15 [**-*********+**] 1
38 1 14 ILE HB 1 15 ILE MG . . 3.500 5.471 5.360 5.740 2.240 13 15 [*-**********+**] 1
39 1 14 ILE MD 1 17 LEU QB . . 3.000 4.456 4.109 5.249 2.249 9 15 [*****-**+******] 1
40 1 11 LEU HG 1 15 ILE HA . . 4.010 5.490 5.269 5.894 1.884 9 15 [********+**-***] 1
41 1 15 ILE HA 1 17 LEU QD . . 4.520 5.665 5.512 5.787 1.267 9 15 [********+**-***] 1
42 1 14 ILE MG 1 16 GLY H . . 3.500 4.541 4.269 4.645 1.145 12 15 [**********-+***] 1
43 1 15 ILE MG 1 16 GLY H . . 2.500 3.683 3.286 3.794 1.294 6 15 [*****+*****-***] 1
44 1 15 ILE MD 1 16 GLY H . . 3.500 4.521 4.455 4.573 1.073 12 15 [*****-*****+***] 1
45 1 16 GLY H 1 17 LEU QD . . 4.500 4.159 3.807 4.243 . 0 0 "[ . 1 .]" 1
46 1 16 GLY H 1 17 LEU QB . . 3.500 4.915 4.354 5.056 1.556 2 15 [*+**********-**] 1
47 1 16 GLY H 1 19 VAL QG . . 4.500 4.557 4.468 4.584 0.084 6 0 "[ . 1 .]" 1
48 1 13 PHE QE 1 17 LEU QD . . 2.500 2.796 2.434 3.143 0.643 8 6 "[* * . *+ 1 - *]" 1
49 1 14 ILE QG 1 17 LEU H . . 4.510 5.674 5.069 5.878 1.368 7 15 [******+*****-**] 1
50 1 14 ILE HB 1 17 LEU H . . 3.510 5.521 5.408 5.630 2.120 11 15 [**********+*-**] 1
51 1 15 ILE MD 1 17 LEU H . . 4.010 5.469 5.426 5.520 1.510 12 15 [***********+-**] 1
52 1 17 LEU H 1 18 VAL HB . . 4.000 5.993 5.947 6.106 2.106 12 15 [**********-+***] 1
53 1 17 LEU HA 1 19 VAL QG . . 4.000 5.425 5.367 5.484 1.484 13 15 [*-**********+**] 1
54 1 17 LEU H 1 20 LEU QD . . 4.000 5.793 5.754 5.823 1.823 2 15 [*+**********-**] 1
55 1 14 ILE MG 1 18 VAL H . . 2.500 3.589 3.423 3.633 1.133 6 15 [*****+*****-***] 1
56 1 14 ILE MG 1 18 VAL HA . . 3.000 5.010 4.882 5.063 2.063 2 15 [*+*********-***] 1
57 1 14 ILE MG 1 18 VAL QG . . 1.500 1.963 1.782 2.007 0.507 4 4 "[ +. * * -.]" 1
58 1 15 ILE MD 1 18 VAL HB . . 4.000 4.700 4.591 5.114 1.114 13 15 [**********-*+**] 1
59 1 15 ILE MD 1 18 VAL HA . . 4.510 6.023 5.918 6.444 1.934 13 15 [*******-****+**] 1
60 1 15 ILE MD 1 18 VAL H . . 4.000 4.732 4.680 4.949 0.949 12 15 [*******-***+***] 1
61 1 17 LEU QD 1 18 VAL H . . 2.500 3.924 3.825 3.988 1.488 9 15 [********+**-***] 1
62 1 18 VAL H 1 19 VAL QG . . 3.000 4.043 3.955 4.103 1.103 2 15 [*+**********-**] 1
63 1 15 ILE H 1 19 VAL H . . 4.500 5.941 5.896 6.012 1.512 13 15 [********-***+**] 1
64 1 15 ILE MG 1 19 VAL H . . 2.500 3.912 3.835 4.203 1.703 13 15 [*******-****+**] 1
65 1 18 VAL QG 1 19 VAL H . . 2.500 2.210 2.178 2.290 . 0 0 "[ . 1 .]" 1
66 1 19 VAL H 1 20 LEU QD . . 4.010 5.306 5.274 5.398 1.388 12 15 [**********-+***] 1
67 1 17 LEU HA 1 20 LEU QD . . 4.010 4.753 4.713 4.949 0.939 12 15 [**********-+***] 1
68 1 17 LEU QD 1 20 LEU H . . 4.000 4.936 4.896 5.073 1.073 12 15 [********-**+***] 1
69 1 17 LEU QD 1 19 VAL H . . 4.000 4.999 4.858 5.054 1.054 11 15 [**********+-***] 1
70 1 20 LEU QD 1 21 GLY H . . 3.500 4.264 4.219 4.280 0.780 1 15 [+**********-***] 1
71 1 20 LEU HG 1 21 GLY H . . 3.010 4.873 4.595 4.923 1.913 1 15 [+**********-***] 1
72 1 21 GLY QA 1 22 PRO QG . . 3.510 3.652 3.647 3.653 0.143 5 0 "[ . 1 .]" 1
73 1 23 GLN HA 1 24 ARG QG . . 3.000 4.695 4.639 4.772 1.772 2 15 [*+**********-**] 1
74 1 24 ARG QG 1 27 VAL QG . . 2.500 3.437 3.352 3.557 1.057 2 15 [-+*************] 1
75 1 24 ARG HA 1 27 VAL QG . . 3.500 2.102 1.946 3.507 0.007 1 0 "[ . 1 .]" 1
76 1 25 LEU HA 1 26 PRO QG . . 3.510 5.195 5.187 5.196 1.686 14 15 [-************+*] 1
77 1 25 LEU H 1 26 PRO QD . . 1.500 1.805 1.755 1.875 0.375 12 0 "[ . 1 .]" 1
78 1 25 LEU HA 1 26 PRO QD . . 1.500 3.457 3.452 3.458 1.958 9 15 [-*******+******] 1
79 1 25 LEU QD 1 29 VAL QG . . 3.010 2.559 2.440 2.838 . 0 0 "[ . 1 .]" 1
80 1 26 PRO HA 1 30 LYS QG . . 2.500 3.839 3.641 3.956 1.456 1 15 [+*********-****] 1
81 1 26 PRO QB 1 30 LYS QG . . 2.500 2.676 2.588 2.779 0.279 12 0 "[ . 1 .]" 1
82 1 24 ARG HA 1 27 VAL HB . . 3.000 3.616 2.894 3.685 0.685 5 14 "[ -**+**********]" 1
83 1 24 ARG QG 1 27 VAL HB . . 3.510 4.356 4.303 4.418 0.908 1 15 [+**********-***] 1
84 1 27 VAL H 1 28 ALA MB . . 3.500 4.270 4.120 4.304 0.804 2 15 [-+*************] 1
85 1 27 VAL HB 1 28 ALA MB . . 3.000 4.001 3.822 5.020 2.020 1 15 [+-*************] 1
86 1 27 VAL HB 1 28 ALA HA . . 3.500 4.419 4.278 5.459 1.959 1 15 [+**********-***] 1
87 1 27 VAL QG 1 28 ALA H . . 2.000 2.948 2.251 3.050 1.050 12 14 "[ **********+-**]" 1
88 1 28 ALA HA 1 31 THR MG . . 3.500 4.002 3.934 4.408 0.908 1 4 "[+* .*- 1 .]" 1
89 1 28 ALA MB 1 31 THR MG . . 3.500 4.842 4.777 5.263 1.763 1 15 [+**-***********] 1
90 1 30 LYS QG 1 31 THR HA . . 4.510 5.783 5.776 5.790 1.280 2 15 [*+***-*********] 1
91 1 31 THR MG 1 32 VAL QG . . 2.500 2.838 2.788 2.884 0.384 1 0 "[ . 1 .]" 1
92 1 31 THR HA 1 32 VAL QG . . 4.000 4.750 4.721 4.788 0.788 11 15 [**********+*-**] 1
93 1 31 THR MG 1 32 VAL HA . . 3.000 3.033 2.948 3.118 0.118 9 0 "[ . 1 .]" 1
94 1 31 THR MG 1 32 VAL H . . 2.500 2.711 2.648 2.804 0.304 1 0 "[ . 1 .]" 1
95 1 32 VAL QG 1 33 ALA H . . 2.500 2.941 2.875 2.966 0.466 13 0 "[ . 1 .]" 1
96 1 33 ALA HA 1 36 ILE MG . . 3.000 2.924 2.897 2.949 . 0 0 "[ . 1 .]" 1
97 1 31 THR MG 1 34 GLY H . . 4.000 4.404 4.373 4.443 0.443 7 0 "[ . 1 .]" 1
98 1 32 VAL QG 1 34 GLY H . . 3.500 4.214 4.202 4.220 0.720 7 15 [-*****+********] 1
99 1 34 GLY QA 1 38 ALA MB . . 3.500 4.007 3.960 4.039 0.539 2 11 "[*+* -****** * .]" 1
100 1 31 THR HA 1 35 TRP HD1 . . 4.000 3.781 3.755 3.825 . 0 0 "[ . 1 .]" 1
101 1 31 THR MG 1 35 TRP HD1 . . 2.500 2.524 2.491 2.564 0.064 7 0 "[ . 1 .]" 1
102 1 31 THR MG 1 35 TRP H . . 3.500 4.056 4.032 4.096 0.596 7 15 [-*****+********] 1
103 1 31 THR MG 1 35 TRP HE3 . . 4.510 6.388 6.368 6.401 1.891 12 15 [-**********+***] 1
104 1 31 THR MG 1 35 TRP HH2 . . 4.010 6.148 6.089 6.215 2.205 4 15 [***+****-******] 1
105 1 31 THR MG 1 35 TRP HZ2 . . 4.010 4.119 4.048 4.202 0.192 4 0 "[ . 1 .]" 1
106 1 31 THR MG 1 35 TRP HE1 . . 2.000 2.000 1.981 2.030 0.030 4 0 "[ . 1 .]" 1
107 1 32 VAL HA 1 35 TRP HZ3 . . 4.500 5.811 5.677 5.970 1.470 4 15 [***+****-******] 1
108 1 32 VAL HA 1 35 TRP HD1 . . 4.000 3.845 3.814 3.876 . 0 0 "[ . 1 .]" 1
109 1 32 VAL HA 1 35 TRP HE3 . . 4.000 5.607 5.493 5.746 1.746 4 15 [***+****-******] 1
110 1 32 VAL QG 1 35 TRP HE1 . . 3.010 3.111 3.080 3.149 0.139 1 0 "[ . 1 .]" 1
111 1 32 VAL QG 1 35 TRP HH2 . . 3.000 3.563 3.463 3.691 0.691 4 10 "[*- +* * 1*****]" 1
112 1 32 VAL QG 1 35 TRP H . . 3.000 4.824 4.789 4.862 1.862 4 15 [***+******-****] 1
113 1 32 VAL QG 1 35 TRP HD1 . . 3.510 4.712 4.688 4.736 1.226 1 15 [+***********-**] 1
114 1 35 TRP HE3 1 36 ILE QG . . 3.500 3.412 3.399 3.428 . 0 0 "[ . 1 .]" 1
115 1 35 TRP HH2 1 36 ILE QG . . 3.500 3.443 3.403 3.465 . 0 0 "[ . 1 .]" 1
116 1 35 TRP H 1 36 ILE MD . . 4.000 5.552 5.525 5.590 1.590 12 15 [********-**+***] 1
117 1 35 TRP H 1 36 ILE MG . . 3.500 5.653 5.640 5.667 2.167 3 15 [**+-***********] 1
118 1 35 TRP HH2 1 36 ILE HA . . 4.500 5.398 5.363 5.421 0.921 6 15 [*****+****-****] 1
119 1 35 TRP HZ3 1 36 ILE QG . . 4.000 3.219 3.055 3.381 . 0 0 "[ . 1 .]" 1
120 1 35 TRP HD1 1 36 ILE H . . 4.000 4.261 4.196 4.317 0.317 6 0 "[ . 1 .]" 1
121 1 35 TRP HE3 1 36 ILE H . . 4.000 3.935 3.886 3.982 . 0 0 "[ . 1 .]" 1
122 1 35 TRP H 1 36 ILE QG . . 4.000 4.381 4.320 4.432 0.432 12 0 "[ . 1 .]" 1
123 1 35 TRP HE3 1 38 ALA MB . . 4.010 5.559 5.509 5.610 1.600 2 15 [*+***********-*] 1
124 1 35 TRP HD1 1 38 ALA MB . . 4.020 5.937 5.902 5.974 1.954 11 15 [**********+**-*] 1
125 1 35 TRP HA 1 38 ALA MB . . 2.500 2.416 2.373 2.478 . 0 0 "[ . 1 .]" 1
126 1 32 VAL QG 1 36 ILE H . . 4.010 4.137 4.037 4.239 0.229 5 0 "[ . 1 .]" 1
127 1 33 ALA MB 1 36 ILE QG . . 4.010 4.688 4.516 4.886 0.876 4 15 [***+**-********] 1
128 1 34 GLY QA 1 37 ARG H . . 3.010 4.014 3.995 4.036 1.026 4 15 [***+****-******] 1
129 1 36 ILE MG 1 37 ARG H . . 2.500 2.680 2.599 2.761 0.261 11 0 "[ . 1 .]" 1
130 1 37 ARG H 1 38 ALA MB . . 2.500 4.109 4.087 4.151 1.651 4 15 [***+****-******] 1
131 1 36 ILE MG 1 38 ALA H . . 3.500 4.570 4.497 4.672 1.172 11 15 [**********+-***] 1
132 1 36 ILE MG 1 39 LEU QB . . 4.010 5.319 4.647 5.576 1.566 8 15 [*******+**-****] 1
133 1 39 LEU QB 1 43 ALA MB . . 3.510 4.252 4.059 4.509 0.999 3 15 [*-+************] 1
134 1 36 ILE MG 1 40 ARG QD . . 3.500 3.560 3.063 4.106 0.606 3 2 "[ + . 1 -.]" 1
135 1 36 ILE MG 1 40 ARG HE . . 4.500 5.843 4.952 6.483 1.983 14 13 "[****-*** ****+.]" 1
136 1 40 ARG H 1 41 SER HA . . 3.500 5.411 5.380 5.460 1.960 1 15 [+*******-******] 1
137 1 40 ARG QB 1 43 ALA H . . 3.000 5.061 5.018 5.126 2.126 3 15 [**+******-*****] 1
138 1 38 ALA HA 1 41 SER H . . 2.000 3.996 3.842 4.047 2.047 15 15 [**-***********+] 1
139 1 41 SER HA 1 42 LEU HA . . 3.010 4.796 4.780 4.818 1.808 3 15 [*-+************] 1
140 1 41 SER HA 1 42 LEU QB . . 3.500 5.241 5.170 5.348 1.848 1 15 [+*************-] 1
141 1 41 SER HA 1 44 THR HB . . 2.500 4.271 3.506 4.572 2.072 7 15 [******+-*******] 1
142 1 39 LEU H 1 42 LEU QD . . 3.500 4.503 3.991 5.084 1.584 2 14 "[ +*******-*****]" 1
143 1 39 LEU HA 1 42 LEU QD . . 2.500 2.804 2.486 3.280 0.780 6 2 "[ - .+ 1 .]" 1
144 1 39 LEU QB 1 42 LEU QD . . 3.010 4.002 3.388 4.504 1.494 3 14 "[**+*****-*** **]" 1
145 1 39 LEU HG 1 42 LEU H . . 3.500 5.595 5.554 5.633 2.133 10 15 [*********+****-] 1
146 1 40 ARG HA 1 42 LEU H . . 2.500 4.495 4.451 4.522 2.022 11 15 [**********+***-] 1
147 1 42 LEU QD 1 45 THR H . . 3.000 4.869 4.525 5.003 2.003 1 15 [+*-************] 1
148 1 43 ALA HA 1 44 THR MG . . 4.010 5.260 4.893 5.708 1.698 2 15 [*+************-] 1
149 1 43 ALA HA 1 46 VAL QG . . 2.500 2.388 2.260 2.507 0.007 5 0 "[ . 1 .]" 1
150 1 43 ALA MB 1 47 GLN QG . . 3.500 3.336 3.146 3.548 0.048 15 0 "[ . 1 .]" 1
151 1 41 SER QB 1 44 THR H . . 3.510 5.279 5.146 5.433 1.923 5 15 [****+*********-] 1
152 1 42 LEU HA 1 44 THR H . . 3.500 4.813 4.625 4.940 1.440 5 15 [***-+**********] 1
153 1 43 ALA MB 1 44 THR MG . . 3.500 3.681 3.126 4.619 1.119 9 4 "[ * - *+1 .]" 1
154 1 43 ALA MB 1 44 THR HA . . 3.500 3.662 3.604 3.732 0.232 15 0 "[ . 1 .]" 1
155 1 44 THR HB 1 47 GLN QG . . 4.500 6.075 5.527 6.635 2.135 15 15 [****-*********+] 1
156 1 44 THR HA 1 47 GLN QG . . 3.500 3.873 3.329 4.510 1.010 15 6 "[* . 1-***+]" 1
157 1 44 THR MG 1 47 GLN QG . . 3.520 5.187 4.527 5.698 2.178 11 15 [***-******+****] 1
158 1 41 SER HA 1 45 THR H . . 2.500 4.039 3.904 4.190 1.690 10 15 [******-**+*****] 1
159 1 41 SER HA 1 45 THR HB . . 4.000 5.274 5.070 5.577 1.577 15 15 [******-*******+] 1
160 1 42 LEU QB 1 45 THR H . . 3.500 4.865 4.715 5.028 1.528 15 15 [*********-****+] 1
161 1 43 ALA MB 1 45 THR HA . . 4.500 6.477 6.421 6.545 2.045 4 15 [***+-**********] 1
162 1 45 THR HB 1 46 VAL QG . . 4.000 3.560 2.766 4.329 0.329 15 0 "[ . 1 .]" 1
163 1 45 THR HA 1 47 GLN H . . 2.500 3.883 3.805 4.030 1.530 10 15 [*********+****-] 1
164 1 46 VAL HA 1 49 GLU H . . 4.010 4.177 3.907 5.689 1.679 15 1 "[ . 1 +]" 1
165 1 44 THR HB 1 46 VAL H . . 4.000 5.415 5.307 5.670 1.670 15 15 [*************-+] 1
166 1 43 ALA MB 1 46 VAL HB . . 4.530 5.966 5.141 6.481 1.951 11 15 [**********+***-] 1
167 1 43 ALA HA 1 47 GLN H . . 3.500 4.852 4.494 5.069 1.569 9 15 [********+*****-] 1
168 1 44 THR HA 1 47 GLN H . . 3.500 3.316 3.093 3.460 . 0 0 "[ . 1 .]" 1
169 1 44 THR HB 1 47 GLN H . . 4.000 5.213 4.949 5.589 1.589 9 15 [******-*+******] 1
170 1 44 THR MG 1 47 GLN H . . 3.500 4.808 4.203 5.214 1.714 15 15 [*-************+] 1
171 1 43 ALA MB 1 47 GLN QE . . 3.500 3.410 2.297 5.029 1.529 6 3 "[ .+* 1 - .]" 1
172 1 44 THR MG 1 47 GLN QE . . 3.500 5.439 4.608 5.620 2.120 5 15 [****+********-*] 1
173 1 46 VAL QG 1 47 GLN QB . . 3.500 3.474 3.321 3.601 0.101 5 0 "[ . 1 .]" 1
174 1 46 VAL QG 1 47 GLN QE . . 4.000 4.152 3.357 4.843 0.843 2 5 "[ + .** 1 *-.]" 1
175 1 44 THR H 1 48 ASN H . . 4.010 5.591 4.733 5.966 1.956 12 15 [***********+**-] 1
176 1 44 THR MG 1 48 ASN QB . . 4.000 4.041 3.514 4.388 0.388 4 0 "[ . 1 .]" 1
177 1 44 THR HB 1 48 ASN H . . 3.000 4.850 3.808 5.692 2.692 8 15 [*******+******-] 1
178 1 47 GLN QE 1 48 ASN H . . 4.500 5.705 4.832 6.556 2.056 12 14 [*-*********+**.] 1
179 1 48 ASN H 1 49 GLU QB . . 3.500 4.029 3.907 4.325 0.825 15 9 "[ *****-*1 * +]" 1
180 1 48 ASN HA 1 51 THR H . . 3.500 4.976 4.099 5.253 1.753 4 15 [***+**********-] 1
181 1 50 LEU H 1 51 THR HA . . 3.500 5.180 4.649 5.345 1.845 10 15 [*********+****-] 1
182 1 49 GLU QB 1 51 THR H . . 3.500 3.589 3.437 4.184 0.684 12 2 "[ . 1 + -]" 1
183 1 50 LEU QD 1 51 THR H . . 2.500 3.125 2.905 3.828 1.328 12 11 "[** . -****+***]" 1
184 1 52 GLN QB 1 53 GLU H . . 2.500 3.812 3.003 4.046 1.546 12 15 [***********+*-*] 1
185 1 53 GLU H 1 54 LEU QD . . 3.500 4.979 4.720 5.284 1.784 14 15 [******-******+*] 1
186 1 54 LEU H 1 56 LEU H . . 3.000 3.414 2.935 3.823 0.823 2 7 "[-+ . ***1 **.]" 1
187 1 56 LEU QB 1 60 GLN QB . . 4.010 4.954 3.848 5.559 1.549 12 13 "[****** **1*+*-*]" 1
188 1 56 LEU QD 1 57 GLN H . . 3.010 2.499 2.092 3.722 0.712 2 1 "[ + . 1 .]" 1
189 1 57 GLN HA 1 59 PHE QD . . 4.500 6.666 6.492 7.127 2.627 10 15 [****-****+*****] 1
190 1 57 GLN QG 1 61 ASP H . . 4.500 4.555 4.125 5.981 1.481 2 1 "[ + . 1 .]" 1
191 1 57 GLN H 1 58 GLU QG . . 4.000 5.379 4.788 5.748 1.748 11 15 [********-*+****] 1
192 1 55 LYS QD 1 58 GLU H . . 4.010 5.328 4.479 6.350 2.340 2 12 "[*+**.** *-*** *]" 1
193 1 58 GLU H 1 62 SER H . . 4.010 6.071 5.829 6.206 2.196 14 15 [*-***********+*] 1
194 1 59 PHE HB3 1 63 LEU QD . . 4.500 3.498 2.901 4.872 0.372 7 0 "[ . 1 .]" 1
195 1 59 PHE QD 1 63 LEU QD . . 3.000 3.203 2.895 3.503 0.503 15 1 "[ . 1 +]" 1
196 1 56 LEU H 1 60 GLN H . . 4.520 6.318 5.384 6.596 2.076 6 15 [*****+-********] 1
197 1 60 GLN QG 1 63 LEU QD . . 4.510 4.445 4.332 4.504 . 0 0 "[ . 1 .]" 1
198 1 60 GLN QB 1 63 LEU H . . 3.500 5.318 5.151 5.485 1.985 2 15 [*+*******-*****] 1
199 1 63 LEU HA 1 66 VAL HB . . 2.500 4.180 3.887 4.325 1.825 5 15 [****+****-*****] 1
200 1 63 LEU HA 1 66 VAL QG . . 2.000 1.987 1.896 2.053 0.053 5 0 "[ . 1 .]" 1
201 1 64 LYS QG 1 65 LYS H . . 2.500 3.928 3.497 4.433 1.933 9 15 [******-*+******] 1
202 1 65 LYS H 1 66 VAL HB . . 4.000 5.292 4.944 5.401 1.401 5 15 [****+****-*****] 1
203 1 65 LYS HA 1 67 GLU H . . 3.000 4.592 4.419 4.711 1.711 6 15 [*****+-********] 1
204 1 63 LEU QD 1 66 VAL HB . . 4.000 4.799 4.479 4.985 0.985 7 14 [******+*-1*****] 1
205 1 66 VAL HA 1 70 SER H . . 3.500 4.246 4.049 4.481 0.981 15 15 [*******-******+] 1
206 1 63 LEU QD 1 67 GLU H . . 4.510 4.960 4.685 5.105 0.595 4 6 "[ **+. -1 * *.]" 1
207 1 67 GLU QG 1 68 LYS H . . 2.500 4.246 4.123 4.327 1.827 10 15 [*********+***-*] 1
208 1 67 GLU QG 1 70 SER H . . 4.510 5.443 5.247 5.571 1.061 6 15 [*****+**-******] 1
209 1 66 VAL QG 1 69 ALA MB . . 3.500 3.507 3.218 3.701 0.201 1 0 "[ . 1 .]" 1
210 1 66 VAL HB 1 69 ALA H . . 3.510 5.719 5.663 5.785 2.275 3 15 [**+****-*******] 1
211 1 68 LYS QD 1 69 ALA H . . 3.000 4.651 3.040 5.078 2.078 3 14 [**+***-*******.] 1
212 1 69 ALA H 1 70 SER HA . . 3.510 5.191 5.100 5.328 1.818 15 15 [*************-+] 1
213 1 69 ALA HA 1 70 SER H . . 1.500 3.390 3.340 3.463 1.963 15 15 [***********-**+] 1
214 1 69 ALA HA 1 72 THR MG . . 3.000 2.802 2.716 2.986 . 0 0 "[ . 1 .]" 1
215 1 69 ALA H 1 72 THR MG . . 4.000 4.399 4.145 4.543 0.543 14 3 "[ -*. 1 +.]" 1
216 1 69 ALA HA 1 74 LEU QD . . 4.000 6.048 5.527 6.275 2.275 8 15 [**-****+*******] 1
217 1 67 GLU QB 1 70 SER H . . 3.500 4.694 4.498 4.866 1.366 6 15 [***-*+*********] 1
218 1 69 ALA MB 1 70 SER HA . . 4.000 4.009 3.957 4.028 0.028 14 0 "[ . 1 .]" 1
219 1 69 ALA MB 1 70 SER H . . 2.000 3.098 2.899 3.217 1.217 12 15 [***********+**-] 1
220 1 71 LEU HA 1 72 THR MG . . 4.000 5.477 5.267 5.586 1.586 10 15 [*********+****-] 1
221 1 71 LEU QB 1 72 THR HA . . 4.010 4.038 3.857 4.156 0.146 5 0 "[ . 1 .]" 1
222 1 72 THR HA 1 74 LEU QB . . 4.520 6.211 5.873 6.343 1.823 15 15 [*************-+] 1
223 1 70 SER HA 1 73 ASN H . . 3.500 5.008 4.037 5.269 1.769 14 15 [*******-*****+*] 1
224 1 70 SER H 1 73 ASN H . . 4.020 5.967 5.411 6.280 2.260 4 15 [***+***-*******] 1
225 1 72 THR H 1 73 ASN QB . . 4.510 5.735 5.502 6.026 1.516 14 15 [*************+-] 1
226 1 73 ASN H 1 74 LEU HA . . 3.500 4.415 4.331 4.568 1.068 14 15 [*****-*******+*] 1
227 1 73 ASN H 1 74 LEU HG . . 3.000 3.184 2.819 3.978 0.978 8 4 "[ -.* + 1 *.]" 1
228 1 73 ASN H 1 74 LEU QD . . 3.000 2.983 2.837 3.106 0.106 11 0 "[ . 1 .]" 1
229 1 73 ASN H 1 75 THR H . . 3.510 4.393 4.090 4.552 1.042 3 15 [**+****-*******] 1
230 1 74 LEU QD 1 75 THR MG . . 3.500 4.810 4.721 4.920 1.420 3 15 [**+****-*******] 1
231 1 74 LEU QD 1 75 THR H . . 3.500 4.055 3.944 4.100 0.600 9 13 "[***** * +****-*]" 1
232 1 74 LEU HG 1 75 THR H . . 4.010 5.148 4.895 5.539 1.529 8 15 [**-****+*******] 1
233 1 74 LEU H 1 75 THR H . . 2.000 2.439 1.976 2.718 0.718 12 8 "[** * * **+ -]" 1
234 1 75 THR H 1 76 PRO QD . . 3.000 4.103 3.996 4.290 1.290 14 15 [******-******+*] 1
235 1 75 THR H 1 77 GLU QB . . 4.500 6.074 5.872 6.158 1.658 15 15 [*************-+] 1
236 1 76 PRO HA 1 79 LYS QB . . 2.500 2.720 2.533 2.944 0.444 8 0 "[ . 1 .]" 1
237 1 76 PRO HA 1 79 LYS QD . . 2.500 4.124 2.431 4.364 1.864 13 14 "[*-*** ******+**]" 1
238 1 78 LEU HG 1 81 SER QB . . 4.010 5.732 5.659 5.785 1.775 6 15 [*-***+*********] 1
239 1 78 LEU QD 1 79 LYS HA . . 3.500 4.965 4.941 5.021 1.521 6 15 [*****+-********] 1
240 1 79 LYS H 1 81 SER H . . 2.500 4.421 4.118 4.505 2.005 8 15 [******-+*******] 1
241 1 78 LEU QD 1 80 ALA H . . 4.010 4.846 4.763 5.113 1.103 7 15 [*****-+********] 1
242 1 80 ALA H 1 83 ASP H . . 3.010 4.600 4.546 4.888 1.878 7 15 [******+*****-**] 1
243 1 78 LEU QB 1 81 SER H . . 3.000 4.741 4.640 4.801 1.801 4 15 [***+**-********] 1
244 1 78 LEU QB 1 82 MET H . . 3.500 4.385 4.313 4.571 1.071 7 15 [****-*+********] 1
245 1 79 LYS QG 1 82 MET H . . 3.500 5.587 5.553 5.628 2.128 6 15 [*****+-********] 1
246 1 81 SER H 1 82 MET QB . . 4.510 4.883 4.706 4.916 0.406 13 0 "[ . 1 .]" 1
247 1 81 SER H 1 82 MET QG . . 4.000 4.132 4.082 4.377 0.377 7 0 "[ . 1 .]" 1
248 1 83 ASP H 1 84 GLU HA . . 3.510 5.321 5.299 5.385 1.875 7 15 [******+*****-**] 1
249 1 84 GLU H 1 85 LEU QD . . 3.500 4.068 4.016 4.391 0.891 7 15 [*****-+********] 1
250 1 84 GLU QB 1 85 LEU HG . . 3.500 4.670 4.034 4.752 1.252 12 15 [******-****+***] 1
251 1 84 GLU H 1 86 ARG H . . 2.000 3.992 3.956 4.099 2.099 7 15 [******+******-*] 1
252 1 83 ASP H 1 85 LEU H . . 2.000 4.032 3.883 4.069 2.069 13 15 [******-*****+**] 1
253 1 85 LEU H 1 86 ARG HA . . 3.000 5.133 5.117 5.140 2.140 6 15 [*****+*******-*] 1
254 1 85 LEU QB 1 88 ALA H . . 3.500 5.112 5.103 5.120 1.620 12 15 [*********-*+***] 1
255 1 85 LEU QD 1 86 ARG HA . . 3.000 5.031 4.954 5.061 2.061 14 15 [******-******+*] 1
256 1 86 ARG H 1 88 ALA MB . . 3.500 4.618 4.533 4.666 1.166 13 15 [************+-*] 1
257 1 86 ARG H 1 89 ALA MB . . 3.500 4.583 4.536 4.622 1.122 8 15 [*******+****-**] 1
258 1 86 ARG QB 1 89 ALA MB . . 3.500 4.621 4.565 4.659 1.159 14 15 [************-+*] 1
259 1 86 ARG QB 1 89 ALA H . . 3.000 5.027 5.015 5.045 2.045 14 15 [******-******+*] 1
260 1 86 ARG HA 1 89 ALA H . . 2.500 3.687 3.664 3.726 1.226 14 15 [************-+*] 1
261 1 87 GLN QB 1 90 GLU H . . 3.010 5.010 4.992 5.027 2.017 7 15 [****-*+********] 1
262 1 85 LEU QD 1 88 ALA H . . 4.010 5.430 5.411 5.523 1.513 7 15 [******+**-*****] 1
263 1 85 LEU HG 1 88 ALA H . . 4.010 5.957 5.911 5.980 1.970 15 15 [*************-+] 1
264 1 86 ARG H 1 88 ALA H . . 2.500 3.951 3.917 3.984 1.484 13 15 [************+-*] 1
265 1 86 ARG H 1 90 GLU H . . 3.500 5.631 5.621 5.638 2.138 2 15 [*+****-********] 1
266 1 88 ALA H 1 90 GLU H . . 2.500 4.088 4.068 4.105 1.605 13 15 [****-*******+**] 1
267 1 90 GLU QG 1 93 LYS H . . 4.000 5.379 5.352 5.416 1.416 14 15 [**-**********+*] 1
268 1 88 ALA MB 1 91 SER H . . 3.010 4.852 4.795 4.924 1.914 14 15 [**********-**+*] 1
269 1 89 ALA MB 1 91 SER H . . 3.500 4.646 4.598 4.698 1.198 14 15 [**********-**+*] 1
270 1 91 SER H 1 92 MET ME . . 4.010 5.752 5.373 6.085 2.075 10 15 [*********+****-] 1
271 1 89 ALA MB 1 92 MET H . . 3.000 4.860 4.799 4.966 1.966 14 15 [****-********+*] 1
272 1 91 SER H 1 92 MET QG . . 3.500 5.258 5.165 5.310 1.810 13 15 [******-*****+**] 1
273 1 89 ALA H 1 93 LYS H . . 4.010 5.820 5.763 5.891 1.881 12 15 [***********+*-*] 1
274 1 89 ALA MB 1 93 LYS H . . 3.010 4.585 4.547 4.601 1.591 9 15 [********+*-****] 1
275 1 90 GLU H 1 93 LYS H . . 2.500 4.616 4.572 4.670 2.170 12 15 [**-********+***] 1
276 1 93 LYS HA 1 96 TYR QD . . 3.500 3.458 3.330 3.583 0.083 12 0 "[ . 1 .]" 1
277 1 93 LYS QB 1 96 TYR QE . . 4.500 6.165 5.838 6.327 1.827 8 15 [*******+-******] 1
278 1 93 LYS QB 1 96 TYR QD . . 4.000 4.652 4.506 4.791 0.791 1 15 [+*******-******] 1
279 1 90 GLU QB 1 94 ARG H . . 3.500 4.866 4.819 4.919 1.419 9 15 [********+-*****] 1
280 1 94 ARG QG 1 95 SER HA . . 3.000 3.793 3.500 3.994 0.994 14 14 [*********1-**+*] 1
281 1 95 SER QB 1 96 TYR QD . . 3.500 5.529 5.392 5.632 2.132 1 15 [+********-*****] 1
282 1 94 ARG HA 1 96 TYR H . . 3.000 4.162 3.887 4.860 1.860 9 15 [********+**-***] 1
283 1 95 SER H 1 96 TYR QB . . 3.500 4.022 3.991 4.074 0.574 10 13 "[*********+* * -]" 1
284 1 96 TYR QD 1 97 VAL QG . . 2.500 3.073 2.831 3.228 0.728 9 14 "[*-* ****+******]" 1
285 1 96 TYR QB 1 98 ALA H . . 3.500 4.623 4.172 5.237 1.737 2 15 [-+*************] 1
286 1 96 TYR QD 1 97 VAL HB . . 4.000 5.520 5.335 5.843 1.843 10 15 [********-+*****] 1
287 1 97 VAL H 1 98 ALA H . . 2.000 3.070 2.542 3.746 1.746 3 15 [**+*******-****] 1
288 1 97 VAL H 1 98 ALA HA . . 4.000 5.329 4.853 5.616 1.616 4 15 [***+*********-*] 1
289 1 97 VAL QG 1 98 ALA HA . . 3.500 4.061 3.477 4.516 1.016 10 11 "[* *- ** +*****]" 1
290 1 96 TYR QE 1 98 ALA H . . 4.010 6.195 5.800 6.484 2.474 14 15 [***-*********+*] 1
291 1 97 VAL QG 1 99 ASN H . . 3.510 4.744 4.163 5.105 1.595 5 15 [****+***-******] 1
292 1 99 ASN HA 1 100 ASP H . . 1.500 2.744 2.329 3.532 2.032 2 15 [*+***-*********] 1
293 1 101 PRO QG 1 102 LEU H . . 2.500 3.052 2.897 3.316 0.816 11 9 "[* * . - *+****]" 1
294 1 101 PRO HA 1 102 LEU QB . . 4.500 5.339 4.753 5.569 1.069 1 13 "[+*****-*** ** *]" 1
295 1 101 PRO HA 1 103 GLU H . . 2.500 4.017 3.504 5.089 2.589 9 15 [****-***+******] 1
296 1 1 MET ME 1 2 PHE HZ . . 3.500 4.058 3.448 4.901 1.401 15 7 "[ * *.**- 1 * +]" 1
297 1 1 MET ME 1 2 PHE H . . 3.500 4.009 3.436 4.270 0.770 4 9 "[ * +.**- * ** *]" 1
298 1 1 MET ME 1 3 ASP H . . 3.500 5.554 5.507 5.730 2.230 13 15 [****-*******+**] 1
299 1 1 MET HA 1 3 ASP H . . 2.500 4.507 4.408 4.699 2.199 11 15 [*****-****+****] 1
300 1 1 MET ME 1 4 ILE MD . . 3.500 4.609 3.423 5.014 1.514 12 14 [**********-+**.] 1
301 1 1 MET HA 1 2 PHE H . . 1.500 3.042 2.796 3.331 1.831 11 15 [***-******+****] 1
302 1 1 MET HA 1 2 PHE QD . . 3.500 4.839 4.483 5.246 1.746 11 15 [**********+***-] 1
303 1 1 MET ME 1 2 PHE QE . . 2.500 3.936 3.022 4.566 2.066 4 15 [***+********-**] 1
304 1 1 MET H1 1 2 PHE QB . . 3.500 4.325 4.026 4.441 0.941 13 15 [*********-**+**] 1
305 1 2 PHE H 1 2 PHE QB . . 2.500 2.899 2.778 3.023 0.523 15 1 "[ . 1 +]" 1
306 1 2 PHE HA 1 2 PHE QB . . 2.500 2.201 2.173 2.226 . 0 0 "[ . 1 .]" 1
307 1 2 PHE QD 1 3 ASP H . . 2.500 3.492 3.245 3.577 1.077 8 15 [*******+****-**] 1
308 1 2 PHE H 1 3 ASP QB . . 3.500 4.712 4.570 5.325 1.825 11 15 [*********-+****] 1
309 1 2 PHE HA 1 3 ASP H . . 1.500 3.545 3.532 3.568 2.068 11 15 [*******-**+****] 1
310 1 2 PHE QE 1 4 ILE MD . . 3.500 3.896 3.704 4.585 1.085 15 3 "[ . 1- * +]" 1
311 1 2 PHE QB 1 4 ILE HA . . 3.500 5.352 5.095 5.560 2.060 11 15 [**********+*-**] 1
312 1 2 PHE QB 1 4 ILE MD . . 4.500 4.595 4.424 5.466 0.966 13 2 "[ . 1 + -]" 1
313 1 2 PHE H 1 4 ILE QG . . 3.500 3.354 3.151 3.406 . 0 0 "[ . 1 .]" 1
314 1 2 PHE QD 1 4 ILE QG . . 4.000 3.742 3.469 3.805 . 0 0 "[ . 1 .]" 1
315 1 2 PHE QD 1 4 ILE MD . . 3.500 3.609 3.380 4.720 1.220 13 2 "[ . 1 + -]" 1
316 1 2 PHE QD 1 4 ILE HB . . 4.000 6.109 5.927 6.189 2.189 11 15 [**********+*-**] 1
317 1 2 PHE H 1 4 ILE H . . 2.500 4.452 3.473 4.576 2.076 8 15 [*******+**-****] 1
318 1 2 PHE H 1 4 ILE MD . . 2.500 4.364 4.017 4.481 1.981 4 15 [***+**********-] 1
319 1 1 MET H1 1 3 ASP H . . 1.500 3.389 2.989 3.607 2.107 15 15 [*******-******+] 1
320 1 3 ASP HA 1 3 ASP QB . . 2.500 2.521 2.379 2.539 0.039 15 0 "[ . 1 .]" 1
321 1 3 ASP QB 1 4 ILE HA . . 4.000 4.035 3.983 4.300 0.300 11 0 "[ . 1 .]" 1
322 1 3 ASP QB 1 4 ILE H . . 2.500 2.404 2.249 3.656 1.156 11 1 "[ . 1+ .]" 1
323 1 3 ASP H 1 4 ILE HB . . 4.000 4.092 4.016 4.365 0.365 11 0 "[ . 1 .]" 1
324 1 3 ASP QB 1 4 ILE HB . . 4.000 4.731 4.610 5.799 1.799 11 15 [**********+-***] 1
325 1 3 ASP H 1 4 ILE H . . 1.500 2.554 1.781 2.711 1.211 12 14 "[********** +-**]" 1
326 1 3 ASP H 1 5 GLY H . . 3.500 5.121 4.594 5.759 2.259 11 15 [**********+-***] 1
327 1 3 ASP HA 1 5 GLY H . . 3.500 4.548 3.632 5.692 2.192 11 14 "[*****-****+ ***]" 1
328 1 1 MET H1 1 4 ILE MD . . 3.500 4.004 3.361 4.249 0.749 10 11 "[****-* **+ * *.]" 1
329 1 2 PHE HA 1 4 ILE MD . . 4.500 6.449 6.420 6.501 2.001 13 15 [******-*****+**] 1
330 1 3 ASP HA 1 4 ILE HA . . 3.500 5.329 4.848 5.366 1.866 7 15 [******+***-****] 1
331 1 3 ASP HA 1 4 ILE HB . . 3.500 4.513 4.429 5.219 1.719 11 15 [**********+-***] 1
332 1 3 ASP HA 1 4 ILE QG . . 3.500 4.416 3.974 4.710 1.210 11 14 [**********+*-*.] 1
333 1 3 ASP H 1 4 ILE MD . . 4.000 3.944 3.901 4.075 0.075 11 0 "[ . 1 .]" 1
334 1 3 ASP HA 1 4 ILE H . . 1.500 3.536 3.070 3.571 2.071 3 15 [**+*******-****] 1
335 1 4 ILE H 1 4 ILE QG . . 2.500 2.757 1.868 2.922 0.422 12 0 "[ . 1 .]" 1
336 1 4 ILE HA 1 5 GLY H . . 2.500 3.417 2.143 3.535 1.035 2 14 "[*+******** -***]" 1
337 1 4 ILE QG 1 5 GLY H . . 3.500 3.844 3.692 4.595 1.095 11 2 "[ . 1+- .]" 1
338 1 4 ILE H 1 5 GLY H . . 2.500 4.001 2.675 4.477 1.977 11 14 "[*****-****+ ***]" 1
339 1 4 ILE MD 1 5 GLY H . . 2.500 4.275 3.845 4.599 2.099 12 15 [***********+**-] 1
340 1 4 ILE MD 1 6 PHE H . . 2.500 4.532 4.402 4.971 2.471 13 15 [*******-****+**] 1
341 1 4 ILE MG 1 7 SER QB . . 4.000 3.559 3.319 4.960 0.960 12 1 "[ . 1 + .]" 1
342 1 4 ILE MD 1 8 GLU QB . . 3.000 3.057 2.593 3.958 0.958 7 1 "[ . + 1 .]" 1
343 1 4 ILE MG 1 5 GLY QA . . 3.500 3.454 3.199 3.629 0.129 12 0 "[ . 1 .]" 1
344 1 4 ILE MG 1 5 GLY H . . 2.500 2.557 2.328 3.986 1.486 12 1 "[ . 1 + .]" 1
345 1 4 ILE HA 1 6 PHE H . . 3.500 3.679 3.235 3.991 0.491 7 0 "[ . 1 .]" 1
346 1 4 ILE MG 1 6 PHE QD . . 3.500 4.204 4.013 5.515 2.015 12 15 [*******-***+***] 1
347 1 4 ILE HA 1 6 PHE QE . . 4.010 5.896 3.954 6.278 2.268 7 14 "[******+*** -***]" 1
348 1 5 GLY QA 1 6 PHE QB . . 4.000 3.728 3.679 3.919 . 0 0 "[ . 1 .]" 1
349 1 5 GLY QA 1 6 PHE H . . 1.500 2.728 2.666 2.896 1.396 12 15 [******-****+***] 1
350 1 5 GLY H 1 6 PHE H . . 2.500 3.062 2.226 3.244 0.744 5 13 "[****+***** **-]" 1
351 1 6 PHE QB 1 7 SER H . . 2.500 3.501 2.501 3.666 1.166 5 14 "[****+* ***-****]" 1
352 1 6 PHE HA 1 7 SER H . . 1.500 3.471 3.418 3.569 2.069 7 15 [****-*+********] 1
353 1 6 PHE QD 1 7 SER H . . 2.500 2.561 2.423 2.949 0.449 11 0 "[ . 1 .]" 1
354 1 6 PHE H 1 7 SER H . . 1.500 1.772 1.580 2.509 1.009 7 2 "[ . + 1- .]" 1
355 1 6 PHE H 1 8 GLU H . . 3.500 3.530 3.334 3.689 0.189 8 0 "[ . 1 .]" 1
356 1 6 PHE HA 1 9 LEU QB . . 2.500 2.512 2.175 2.724 0.224 2 0 "[ . 1 .]" 1
357 1 6 PHE QD 1 9 LEU QB . . 3.500 4.418 4.184 4.978 1.478 11 15 [****-*****+****] 1
358 1 6 PHE QB 1 9 LEU QB . . 3.500 3.311 2.977 4.177 0.677 7 1 "[ . + 1 .]" 1
359 1 6 PHE HA 1 9 LEU H . . 2.500 3.316 3.009 4.037 1.537 7 15 [****-*+********] 1
360 1 6 PHE HA 1 9 LEU HG . . 2.500 4.556 4.365 4.685 2.185 7 15 [******+*****-**] 1
361 1 6 PHE HA 1 10 LEU H . . 2.500 3.885 3.148 4.300 1.800 14 15 [***********-*+*] 1
362 1 4 ILE HA 1 8 GLU QB . . 3.500 4.869 3.289 5.427 1.927 7 14 "[******+**** -**]" 1
363 1 4 ILE HB 1 8 GLU QB . . 3.500 4.351 3.939 4.682 1.182 12 13 "[****** *** +-**]" 1
364 1 4 ILE QG 1 8 GLU QB . . 2.500 3.623 3.276 4.362 1.862 12 15 [*******-***+***] 1
365 1 4 ILE MG 1 8 GLU QB . . 2.000 1.918 1.834 2.052 0.052 7 0 "[ . 1 .]" 1
366 1 4 ILE MG 1 8 GLU HA . . 2.500 3.886 3.715 4.526 2.026 12 15 [***********+-**] 1
367 1 4 ILE MG 1 8 GLU H . . 2.000 1.998 1.814 3.114 1.114 12 1 "[ . 1 + .]" 1
368 1 7 SER QB 1 8 GLU QB . . 4.000 4.676 4.434 4.770 0.770 6 14 "[*****+****** *-]" 1
369 1 7 SER QB 1 8 GLU H . . 3.000 3.013 2.885 3.219 0.219 13 0 "[ . 1 .]" 1
370 1 7 SER H 1 8 GLU H . . 2.500 3.080 2.915 3.204 0.704 15 10 "[****. *** -*+]" 1
371 1 7 SER H 1 8 GLU QB . . 3.500 4.864 4.722 5.052 1.552 8 15 [*******+****-**] 1
372 1 8 GLU QB 1 9 LEU QD . . 2.500 4.017 3.252 4.322 1.822 7 15 [******+*****-**] 1
373 1 8 GLU H 1 9 LEU H . . 2.500 2.751 2.550 2.931 0.431 2 0 "[ . 1 .]" 1
374 1 8 GLU H 1 10 LEU H . . 2.500 4.558 4.523 4.639 2.139 15 15 [****-*********+] 1
375 1 4 ILE MG 1 9 LEU QB . . 2.500 3.960 3.293 4.363 1.863 12 15 [***********+**-] 1
376 1 9 LEU HA 1 12 VAL HA . . 4.000 6.017 5.802 6.147 2.147 12 15 [*-*********+***] 1
377 1 9 LEU HA 1 12 VAL QG . . 3.000 3.437 3.165 3.706 0.706 12 5 "[ .** 1*+- .]" 1
378 1 9 LEU HA 1 12 VAL H . . 2.500 4.164 4.049 4.242 1.742 12 15 [*-*********+***] 1
379 1 9 LEU H 1 10 LEU H . . 2.500 2.969 2.811 3.098 0.598 15 5 "[ * *- 1 * +]" 1
380 1 10 LEU HA 1 13 PHE QD . . 3.500 3.976 3.430 4.418 0.918 10 7 "[ * *-* *+ *.]" 1
381 1 10 LEU HA 1 13 PHE QB . . 2.500 2.621 2.422 2.788 0.288 10 0 "[ . 1 .]" 1
382 1 10 LEU HA 1 13 PHE H . . 2.500 3.727 3.633 3.804 1.304 10 15 [*********+*-***] 1
383 1 10 LEU H 1 11 LEU H . . 2.500 2.893 2.798 3.014 0.514 1 3 "[+- . * .]" 1
384 1 11 LEU HA 1 12 VAL H . . 2.500 3.570 3.565 3.571 1.071 3 15 [**+*********-**] 1
385 1 11 LEU QB 1 12 VAL H . . 2.000 2.086 1.973 2.200 0.200 11 0 "[ . 1 .]" 1
386 1 11 LEU H 1 12 VAL H . . 1.500 3.103 3.046 3.178 1.678 1 15 [+***********-**] 1
387 1 11 LEU HA 1 14 ILE MG . . 2.500 4.133 3.883 4.240 1.740 5 15 [****+*****-****] 1
388 1 9 LEU HA 1 12 VAL HB . . 2.500 3.259 2.993 3.527 1.027 13 14 [*-*******1**+**] 1
389 1 11 LEU H 1 12 VAL HB . . 3.500 5.160 5.097 5.253 1.753 1 15 [+*********-****] 1
390 1 12 VAL HA 1 15 ILE H . . 2.500 3.625 3.445 3.758 1.258 2 15 [*+*********-***] 1
391 1 11 LEU H 1 13 PHE H . . 3.500 4.263 3.892 4.345 0.845 4 14 "[***+*******- **]" 1
392 1 12 VAL HB 1 13 PHE QB . . 4.000 4.013 3.968 4.099 0.099 13 0 "[ . 1 .]" 1
393 1 12 VAL QG 1 13 PHE QB . . 4.500 4.037 3.976 4.264 . 0 0 "[ . 1 .]" 1
394 1 12 VAL HB 1 13 PHE H . . 2.500 2.491 2.440 2.719 0.219 13 0 "[ . 1 .]" 1
395 1 12 VAL QG 1 13 PHE H . . 2.000 3.145 3.092 3.318 1.318 13 15 [**********-*+**] 1
396 1 12 VAL HA 1 13 PHE QB . . 4.000 5.213 5.190 5.219 1.219 4 15 [***+********-**] 1
397 1 12 VAL HA 1 13 PHE H . . 2.500 3.551 3.517 3.558 1.058 14 15 [************-+*] 1
398 1 12 VAL H 1 13 PHE H . . 1.500 2.906 2.776 2.959 1.459 10 15 [*********+**-**] 1
399 1 13 PHE HA 1 14 ILE HA . . 3.500 4.731 4.657 4.787 1.287 9 15 [********+**-***] 1
400 1 13 PHE QB 1 14 ILE HB . . 4.000 4.583 4.192 4.790 0.790 1 11 "[+***-*** * **]" 1
401 1 13 PHE HA 1 16 GLY H . . 3.000 3.864 3.708 4.246 1.246 12 15 [*********-*+***] 1
402 1 13 PHE QD 1 17 LEU HG . . 4.000 4.560 3.971 6.046 2.046 12 7 "[* * . ** 1 +* -]" 1
403 1 13 PHE HZ 1 17 LEU QD . . 3.000 3.454 3.414 3.537 0.537 11 2 "[ . -1+ .]" 1
404 1 13 PHE HZ 1 17 LEU HG . . 4.000 5.781 5.691 6.096 2.096 13 15 [*********-**+**] 1
405 1 13 PHE HZ 1 17 LEU QB . . 4.510 6.574 6.474 6.674 2.164 11 15 [**********+-***] 1
406 1 13 PHE QD 1 17 LEU QD . . 3.500 3.280 2.887 3.624 0.124 7 0 "[ . 1 .]" 1
407 1 13 PHE QE 1 17 LEU HG . . 4.000 4.806 4.444 5.592 1.592 12 8 "[* * . ** 1-+* *]" 1
408 1 11 LEU HA 1 14 ILE H . . 3.500 3.551 3.497 3.648 0.148 13 0 "[ . 1 .]" 1
409 1 13 PHE QD 1 14 ILE HA . . 3.500 3.916 3.431 4.606 1.106 11 8 "[* * . ** 1+*- *]" 1
410 1 13 PHE QD 1 14 ILE H . . 3.000 3.923 3.673 4.274 1.274 1 15 [+********-*****] 1
411 1 13 PHE QD 1 14 ILE QG . . 3.500 3.602 3.460 4.830 1.330 11 2 "[ . -1+ .]" 1
412 1 13 PHE HA 1 14 ILE H . . 2.500 3.522 3.458 3.555 1.055 9 15 [-*******+******] 1
413 1 13 PHE QB 1 14 ILE H . . 2.500 2.612 2.389 2.921 0.421 1 0 "[ . 1 .]" 1
414 1 13 PHE H 1 14 ILE H . . 1.500 2.739 2.665 2.831 1.331 9 15 [********+**-***] 1
415 1 14 ILE HB 1 15 ILE H . . 2.000 2.387 2.287 2.604 0.604 13 4 "[ . -1**+ .]" 1
416 1 14 ILE HA 1 17 LEU QB . . 2.500 3.510 2.425 3.728 1.228 2 13 "[*+******-** **]" 1
417 1 14 ILE HA 1 17 LEU HG . . 3.000 3.187 2.851 5.119 2.119 13 2 "[ . 1 -+ .]" 1
418 1 14 ILE HA 1 17 LEU QD . . 2.500 2.960 2.758 3.088 0.588 2 3 "[ + .- *1 .]" 1
419 1 12 VAL HA 1 15 ILE QG . . 2.500 3.110 3.017 3.231 0.731 13 15 [***********-+**] 1
420 1 12 VAL HA 1 15 ILE HB . . 2.500 2.805 2.510 2.965 0.465 2 0 "[ . 1 .]" 1
421 1 14 ILE MG 1 15 ILE H . . 2.500 2.949 2.451 3.159 0.659 15 10 "[****- ** * *+]" 1
422 1 15 ILE HB 1 16 GLY H . . 2.500 2.811 2.460 2.899 0.399 6 0 "[ . 1 .]" 1
423 1 15 ILE HA 1 16 GLY H . . 1.500 3.503 3.486 3.561 2.061 12 15 [*****-*****+***] 1
424 1 15 ILE QG 1 16 GLY H . . 2.500 4.007 3.949 4.042 1.542 11 15 [**********+-***] 1
425 1 15 ILE HA 1 18 VAL QG . . 2.000 1.847 1.820 1.951 . 0 0 "[ . 1 .]" 1
426 1 15 ILE HA 1 18 VAL H . . 3.000 3.389 3.325 3.585 0.585 12 2 "[ . 1 +- .]" 1
427 1 15 ILE HA 1 18 VAL HB . . 3.500 4.452 4.378 4.744 1.244 13 15 [**********-*+**] 1
428 1 15 ILE HA 1 19 VAL H . . 3.500 3.867 3.805 4.114 0.614 13 2 "[ . 1 -+ .]" 1
429 1 12 VAL HA 1 16 GLY H . . 3.500 4.001 3.545 4.203 0.703 9 8 "[ * *** -+* *.]" 1
430 1 15 ILE H 1 16 GLY H . . 1.500 2.789 2.761 2.924 1.424 12 15 [*********-*+***] 1
431 1 16 GLY H 1 17 LEU HG . . 4.000 4.352 3.964 6.723 2.723 13 2 "[ . 1 -+ .]" 1
432 1 16 GLY H 1 17 LEU HA . . 4.000 5.288 5.211 5.340 1.340 2 15 [*+**********-**] 1
433 1 16 GLY H 1 18 VAL H . . 3.500 4.139 4.036 4.352 0.852 12 15 [**********-+***] 1
434 1 16 GLY H 1 19 VAL H . . 3.000 4.660 4.634 4.702 1.702 13 15 [**********-*+**] 1
435 1 14 ILE MG 1 17 LEU H . . 2.500 4.221 4.181 4.280 1.780 2 15 [*+************-] 1
436 1 16 GLY QA 1 17 LEU H . . 2.000 2.754 2.728 2.815 0.815 13 15 [*-**********+**] 1
437 1 16 GLY H 1 17 LEU H . . 2.000 2.670 2.597 2.735 0.735 2 15 [*+**********-**] 1
438 1 17 LEU HA 1 18 VAL H . . 2.500 3.532 3.516 3.550 1.050 12 15 [**********-+***] 1
439 1 17 LEU H 1 18 VAL QG . . 3.500 3.411 3.368 3.516 0.016 12 0 "[ . 1 .]" 1
440 1 17 LEU H 1 18 VAL H . . 2.500 2.417 2.367 2.528 0.028 12 0 "[ . 1 .]" 1
441 1 17 LEU HG 1 18 VAL H . . 3.500 3.967 3.731 5.087 1.587 13 2 "[ . 1 -+ .]" 1
442 1 17 LEU QB 1 18 VAL H . . 2.500 2.595 2.509 2.682 0.182 11 0 "[ . 1 .]" 1
443 1 18 VAL HA 1 19 VAL H . . 2.500 3.444 3.421 3.451 0.951 9 15 [********+**-***] 1
444 1 18 VAL HB 1 19 VAL H . . 2.500 4.171 3.966 4.227 1.727 2 15 [*+**********-**] 1
445 1 16 GLY QA 1 19 VAL H . . 3.500 3.614 3.449 3.654 0.154 8 0 "[ . 1 .]" 1
446 1 18 VAL H 1 19 VAL H . . 1.500 2.511 2.462 2.562 1.062 2 15 [*+**********-**] 1
447 1 18 VAL HA 1 20 LEU H . . 3.500 5.171 4.966 5.475 1.975 12 15 [**********-+***] 1
448 1 19 VAL QG 1 20 LEU H . . 2.500 2.898 2.643 3.014 0.514 11 1 "[ . 1+ .]" 1
449 1 19 VAL HB 1 20 LEU H . . 2.000 2.359 2.142 2.505 0.505 11 1 "[ . 1+ .]" 1
450 1 19 VAL HA 1 20 LEU H . . 1.500 3.566 3.556 3.572 2.072 2 15 [*+********-****] 1
451 1 17 LEU HA 1 21 GLY H . . 3.500 3.593 3.362 3.707 0.207 9 0 "[ . 1 .]" 1
452 1 17 LEU QD 1 21 GLY H . . 4.000 5.118 4.890 5.177 1.177 11 15 [**********+-***] 1
453 1 19 VAL QG 1 21 GLY H . . 4.000 4.136 4.101 4.195 0.195 11 0 "[ . 1 .]" 1
454 1 20 LEU QB 1 21 GLY QA . . 4.000 4.280 4.160 4.304 0.304 9 0 "[ . 1 .]" 1
455 1 20 LEU QB 1 21 GLY H . . 2.500 3.282 2.987 3.341 0.841 9 14 "[*-******+** ***]" 1
456 1 20 LEU H 1 21 GLY H . . 1.500 2.531 2.445 2.601 1.101 12 15 [**********-+***] 1
457 1 20 LEU HA 1 21 GLY H . . 2.500 3.308 3.280 3.432 0.932 12 15 [********-**+***] 1
458 1 21 GLY H 1 23 GLN H . . 3.500 5.251 5.111 5.277 1.777 1 15 [+**********-***] 1
459 1 21 GLY QA 1 22 PRO QD . . 2.000 1.902 1.886 1.905 . 0 0 "[ . 1 .]" 1
460 1 21 GLY H 1 22 PRO QD . . 2.500 3.636 3.529 3.661 1.161 1 15 [+-*************] 1
461 1 22 PRO HA 1 23 GLN H . . 3.500 3.322 3.226 3.336 . 0 0 "[ . 1 .]" 1
462 1 22 PRO QD 1 23 GLN H . . 3.500 2.901 2.875 3.092 . 0 0 "[ . 1 .]" 1
463 1 22 PRO QG 1 23 GLN H . . 2.500 3.198 3.160 3.470 0.970 2 15 [-+*************] 1
464 1 22 PRO QD 1 24 ARG H . . 4.010 5.052 5.013 5.235 1.225 12 15 [***********+*-*] 1
465 1 22 PRO QB 1 23 GLN H . . 2.500 3.686 3.670 3.802 1.302 2 15 [-+*************] 1
466 1 23 GLN H 1 24 ARG H . . 2.500 2.634 2.552 2.664 0.164 12 0 "[ . 1 .]" 1
467 1 23 GLN HA 1 24 ARG H . . 2.500 3.528 3.521 3.535 1.035 12 15 [*****-*****+***] 1
468 1 22 PRO QB 1 24 ARG H . . 3.000 5.101 5.056 5.142 2.142 2 15 [*+***-*********] 1
469 1 23 GLN QB 1 24 ARG H . . 2.500 2.808 2.580 3.405 0.905 2 4 "[ + .* 1 - *.]" 1
470 1 24 ARG H 1 27 VAL QG . . 4.000 4.299 4.239 4.681 0.681 1 1 "[+ . 1 .]" 1
471 1 24 ARG H 1 25 LEU HA . . 2.500 4.262 4.189 4.286 1.786 9 15 [********+**-***] 1
472 1 25 LEU HA 1 27 VAL QG . . 4.500 4.561 3.972 4.636 0.136 2 0 "[ . 1 .]" 1
473 1 25 LEU HA 1 28 ALA H . . 2.500 4.237 4.137 4.269 1.769 9 15 [-*******+******] 1
474 1 26 PRO HA 1 29 VAL QG . . 2.000 2.618 2.077 2.785 0.785 10 14 "[ ********+*-***]" 1
475 1 26 PRO HA 1 29 VAL H . . 3.500 3.507 3.490 3.543 0.043 10 0 "[ . 1 .]" 1
476 1 25 LEU HA 1 27 VAL H . . 3.500 3.796 3.770 3.809 0.309 12 0 "[ . 1 .]" 1
477 1 26 PRO HA 1 27 VAL H . . 1.500 3.373 3.366 3.382 1.882 1 15 [+-*************] 1
478 1 26 PRO QD 1 27 VAL H . . 3.000 2.804 2.787 2.817 . 0 0 "[ . 1 .]" 1
479 1 26 PRO QD 1 27 VAL HB . . 3.500 4.565 3.999 4.619 1.119 11 14 "[ *********+*-**]" 1
480 1 26 PRO QB 1 27 VAL H . . 2.500 3.611 3.594 3.623 1.123 2 15 [-+*************] 1
481 1 26 PRO QG 1 27 VAL H . . 3.500 3.038 3.004 3.062 . 0 0 "[ . 1 .]" 1
482 1 27 VAL HB 1 28 ALA H . . 2.500 2.559 2.448 3.713 1.213 1 1 "[+ . 1 .]" 1
483 1 27 VAL H 1 28 ALA H . . 2.500 2.695 2.535 2.724 0.224 6 0 "[ . 1 .]" 1
484 1 27 VAL HA 1 30 LYS QB . . 2.500 2.913 2.463 3.035 0.535 11 1 "[ . 1+ .]" 1
485 1 27 VAL HA 1 28 ALA H . . 3.500 3.552 3.477 3.559 0.059 13 0 "[ . 1 .]" 1
486 1 25 LEU HA 1 29 VAL H . . 3.500 5.481 5.320 5.741 2.241 1 15 [+-*************] 1
487 1 27 VAL HA 1 29 VAL H . . 3.010 4.849 4.686 4.937 1.927 1 15 [+**********-***] 1
488 1 28 ALA MB 1 29 VAL H . . 2.010 2.479 2.375 2.559 0.549 12 2 "[ . 1 +- .]" 1
489 1 28 ALA H 1 29 VAL H . . 2.000 2.766 2.693 2.798 0.798 10 15 [-********+*****] 1
490 1 29 VAL HA 1 30 LYS H . . 2.500 3.563 3.509 3.568 1.068 11 15 [-*********+****] 1
491 1 29 VAL HA 1 30 LYS QB . . 3.500 5.416 5.342 5.431 1.931 6 15 [-****+*********] 1
492 1 29 VAL H 1 30 LYS H . . 1.500 2.886 2.643 2.937 1.437 11 15 [-*********+****] 1
493 1 29 VAL H 1 31 THR H . . 2.500 4.284 4.212 4.500 2.000 1 15 [+-*************] 1
494 1 29 VAL HA 1 32 VAL H . . 2.000 3.982 3.913 4.066 2.066 1 15 [+***********-**] 1
495 1 29 VAL HA 1 32 VAL HB . . 2.500 3.190 3.000 3.251 0.751 9 14 "[ **-****+******]" 1
496 1 29 VAL HA 1 33 ALA H . . 3.500 3.745 3.530 3.811 0.311 13 0 "[ . 1 .]" 1
497 1 27 VAL HA 1 30 LYS QG . . 3.500 3.636 3.448 3.953 0.453 11 0 "[ . 1 .]" 1
498 1 29 VAL QG 1 30 LYS H . . 2.500 3.026 2.168 3.102 0.602 13 14 "[ *********-*+**]" 1
499 1 30 LYS QG 1 31 THR H . . 2.500 4.098 4.074 4.148 1.648 1 15 [+****-*********] 1
500 1 28 ALA MB 1 31 THR HB . . 3.500 4.217 4.160 4.609 1.109 1 15 [+*******-******] 1
501 1 30 LYS QB 1 31 THR H . . 2.500 2.460 2.390 2.477 . 0 0 "[ . 1 .]" 1
502 1 31 THR HA 1 32 VAL H . . 1.500 3.571 3.570 3.572 2.072 1 15 [+*******-******] 1
503 1 31 THR HA 1 34 GLY H . . 2.000 3.577 3.544 3.610 1.610 7 15 [***-**+********] 1
504 1 32 VAL HA 1 33 ALA H . . 2.000 3.570 3.569 3.571 1.571 3 15 [**+*-**********] 1
505 1 32 VAL HB 1 33 ALA H . . 2.000 2.072 2.054 2.125 0.125 1 0 "[ . 1 .]" 1
506 1 32 VAL H 1 33 ALA H . . 1.500 3.117 3.077 3.129 1.629 4 15 [-**+***********] 1
507 1 32 VAL HB 1 34 GLY H . . 4.500 4.391 4.364 4.427 . 0 0 "[ . 1 .]" 1
508 1 32 VAL HA 1 35 TRP H . . 2.500 4.148 4.104 4.191 1.691 4 15 [***+******-****] 1
509 1 30 LYS HA 1 33 ALA H . . 3.000 4.224 4.198 4.242 1.242 11 15 [**********+*-**] 1
510 1 31 THR H 1 33 ALA H . . 2.500 4.626 4.601 4.647 2.147 11 15 [-*********+****] 1
511 1 33 ALA HA 1 34 GLY H . . 1.500 3.446 3.438 3.460 1.960 11 15 [***-******+****] 1
512 1 33 ALA H 1 34 GLY H . . 1.500 2.704 2.682 2.731 1.231 11 15 [***-******+****] 1
513 1 33 ALA HA 1 36 ILE HA . . 4.010 4.990 4.965 5.016 1.006 3 15 [**+**********-*] 1
514 1 33 ALA HA 1 36 ILE HB . . 2.000 2.018 1.990 2.046 0.046 3 0 "[ . 1 .]" 1
515 1 33 ALA MB 1 34 GLY H . . 2.000 2.935 2.902 2.956 0.956 12 15 [**********-+***] 1
516 1 32 VAL HB 1 35 TRP H . . 4.010 6.205 6.186 6.218 2.208 12 15 [**********-+***] 1
517 1 34 GLY QA 1 35 TRP H . . 2.500 2.434 2.429 2.440 . 0 0 "[ . 1 .]" 1
518 1 34 GLY H 1 35 TRP H . . 1.500 3.021 3.007 3.032 1.532 11 15 [-*********+****] 1
519 1 35 TRP H 1 36 ILE HA . . 3.500 5.052 5.041 5.058 1.558 13 15 [**********-*+**] 1
520 1 35 TRP H 1 36 ILE HB . . 3.500 4.484 4.470 4.500 1.000 3 15 [**+-***********] 1
521 1 35 TRP H 1 37 ARG H . . 3.500 4.556 4.502 4.598 1.098 12 15 [-**********+***] 1
522 1 35 TRP HA 1 38 ALA H . . 2.500 3.436 3.408 3.483 0.983 2 15 [*+***********-*] 1
523 1 33 ALA HA 1 36 ILE QG . . 3.500 3.531 3.385 3.704 0.204 4 0 "[ . 1 .]" 1
524 1 33 ALA MB 1 36 ILE HB . . 3.010 3.739 3.708 3.768 0.758 2 15 [*+*********-***] 1
525 1 33 ALA HA 1 36 ILE H . . 2.500 3.562 3.540 3.586 1.086 11 15 [****-*****+****] 1
526 1 36 ILE HB 1 37 ARG H . . 2.500 2.577 2.543 2.595 0.095 1 0 "[ . 1 .]" 1
527 1 33 ALA MB 1 37 ARG HE . . 4.000 5.795 5.021 6.003 2.003 2 15 [*+*******-*****] 1
528 1 34 GLY QA 1 37 ARG QB . . 3.000 3.895 3.777 3.960 0.960 14 15 [*********-***+*] 1
529 1 36 ILE MD 1 37 ARG H . . 2.500 4.626 4.609 4.646 2.146 11 15 [**********+*-**] 1
530 1 37 ARG QB 1 38 ALA H . . 2.500 2.673 2.577 2.738 0.238 10 0 "[ . 1 .]" 1
531 1 37 ARG H 1 38 ALA H . . 2.500 2.524 2.501 2.554 0.054 2 0 "[ . 1 .]" 1
532 1 37 ARG HA 1 38 ALA H . . 1.500 3.517 3.508 3.532 2.032 11 15 [*****-****+****] 1
533 1 37 ARG HA 1 41 SER H . . 3.000 3.541 3.458 3.795 0.795 3 9 "[**+-** 1*** .]" 1
534 1 34 GLY QA 1 38 ALA H . . 3.500 4.216 4.184 4.236 0.736 6 15 [***-*+*********] 1
535 1 36 ILE HA 1 38 ALA H . . 3.500 4.537 4.461 4.641 1.141 11 15 [*****-****+****] 1
536 1 37 ARG QG 1 38 ALA H . . 2.500 4.134 3.967 4.339 1.839 10 15 [*-*******+*****] 1
537 1 38 ALA H 1 39 LEU QD . . 2.500 4.573 4.530 4.601 2.101 3 15 [-*+************] 1
538 1 36 ILE HA 1 39 LEU QB . . 2.500 3.995 3.340 4.257 1.757 7 15 [******+***-****] 1
539 1 36 ILE HA 1 39 LEU H . . 3.500 4.007 3.977 4.070 0.570 3 8 "[ -+ * *** * *]" 1
540 1 38 ALA MB 1 39 LEU H . . 2.500 2.413 2.373 2.463 . 0 0 "[ . 1 .]" 1
541 1 37 ARG QD 1 40 ARG H . . 3.000 4.996 4.931 5.064 2.064 11 15 [*******-**+****] 1
542 1 40 ARG H 1 41 SER H . . 2.500 2.856 2.821 2.908 0.408 1 0 "[ . 1 .]" 1
543 1 40 ARG H 1 42 LEU H . . 2.500 4.093 3.974 4.267 1.767 2 15 [*+************-] 1
544 1 40 ARG HA 1 43 ALA MB . . 2.500 2.781 2.635 2.922 0.422 15 0 "[ . 1 .]" 1
545 1 40 ARG QG 1 44 THR HB . . 4.000 4.896 3.890 5.733 1.733 4 9 "[* -+.** 1 ****]" 1
546 1 40 ARG HA 1 41 SER H . . 1.500 3.566 3.556 3.571 2.071 10 15 [***-*****+*****] 1
547 1 41 SER HA 1 42 LEU H . . 1.500 3.535 3.525 3.542 2.042 11 15 [**********+***-] 1
548 1 41 SER QB 1 44 THR MG . . 3.500 4.841 3.649 5.526 2.026 3 13 "[**+*-****1 ****]" 1
549 1 39 LEU QB 1 42 LEU H . . 3.500 4.998 4.794 5.108 1.608 10 15 [***-*****+*****] 1
550 1 39 LEU HA 1 42 LEU H . . 2.500 3.584 3.453 3.675 1.175 10 15 [-********+*****] 1
551 1 41 SER H 1 42 LEU H . . 1.500 2.722 2.671 2.780 1.280 10 15 [*********+***-*] 1
552 1 41 SER QB 1 42 LEU H . . 2.500 2.767 2.503 3.409 0.909 14 3 "[ - * 1 +.]" 1
553 1 42 LEU QD 1 43 ALA H . . 2.500 3.618 2.661 4.073 1.573 4 11 "[* *+**** * * *-]" 1
554 1 42 LEU H 1 43 ALA MB . . 3.500 4.266 4.225 4.317 0.817 15 15 [*-************+] 1
555 1 42 LEU H 1 44 THR H . . 2.500 4.448 4.242 4.591 2.091 5 15 [****+*********-] 1
556 1 42 LEU QD 1 45 THR HB . . 3.500 3.826 3.351 4.508 1.008 13 5 "[ * . - *1* + .]" 1
557 1 42 LEU HA 1 45 THR MG . . 2.500 3.734 3.543 4.172 1.672 15 15 [*-************+] 1
558 1 40 ARG HA 1 43 ALA H . . 2.500 3.653 3.577 3.725 1.225 14 15 [*-***********+*] 1
559 1 41 SER HA 1 43 ALA H . . 2.500 4.565 4.510 4.652 2.152 5 15 [****+*********-] 1
560 1 42 LEU QB 1 43 ALA H . . 2.500 2.545 2.492 2.613 0.113 4 0 "[ . 1 .]" 1
561 1 42 LEU H 1 43 ALA H . . 2.500 2.719 2.679 2.778 0.278 3 0 "[ . 1 .]" 1
562 1 42 LEU HA 1 43 ALA H . . 2.500 3.550 3.545 3.557 1.057 5 15 [*-**+**********] 1
563 1 43 ALA HA 1 44 THR H . . 2.000 3.567 3.553 3.571 1.571 5 15 [****+*********-] 1
564 1 43 ALA H 1 44 THR H . . 1.500 2.877 2.719 3.006 1.506 5 15 [****+*********-] 1
565 1 43 ALA HA 1 46 VAL HB . . 3.010 4.763 3.704 5.429 2.419 11 15 [**********+***-] 1
566 1 40 ARG HA 1 44 THR H . . 3.010 4.132 4.069 4.228 1.218 15 15 [*************-+] 1
567 1 43 ALA MB 1 44 THR HB . . 3.500 4.643 3.750 5.215 1.715 14 9 "[* -*.** 1 **+*]" 1
568 1 43 ALA MB 1 44 THR H . . 2.000 2.411 2.225 2.579 0.579 15 2 "[ -. 1 +]" 1
569 1 44 THR H 1 46 VAL QG . . 3.500 4.482 4.309 4.663 1.163 7 15 [-*****+********] 1
570 1 42 LEU H 1 45 THR H . . 3.010 4.635 4.554 4.743 1.733 15 15 [***-**********+] 1
571 1 42 LEU HA 1 45 THR H . . 2.500 3.537 3.427 3.607 1.107 15 15 [*********-****+] 1
572 1 44 THR HB 1 45 THR H . . 2.000 3.659 3.356 4.088 2.088 10 15 [********-+*****] 1
573 1 44 THR HA 1 45 THR H . . 2.500 3.506 3.486 3.523 1.023 9 15 [********+**-***] 1
574 1 45 THR HB 1 46 VAL H . . 3.000 2.949 2.809 3.056 0.056 10 0 "[ . 1 .]" 1
575 1 45 THR HA 1 46 VAL H . . 2.000 3.481 3.453 3.508 1.508 15 15 [*********-****+] 1
576 1 45 THR HA 1 46 VAL QG . . 4.000 4.617 4.186 5.049 1.049 15 8 "[ * *.** - **+]" 1
577 1 45 THR H 1 46 VAL H . . 2.500 2.562 2.495 2.649 0.149 8 0 "[ . 1 .]" 1
578 1 45 THR H 1 47 GLN H . . 2.500 3.888 3.763 3.986 1.486 9 15 [********+*****-] 1
579 1 45 THR HB 1 48 ASN H . . 4.000 5.935 5.843 6.063 2.063 2 15 [*+-************] 1
580 1 45 THR HA 1 48 ASN H . . 3.000 3.951 3.814 4.279 1.279 15 15 [**-***********+] 1
581 1 45 THR H 1 48 ASN H . . 3.500 4.643 4.327 4.813 1.313 2 15 [*+************-] 1
582 1 43 ALA HA 1 46 VAL H . . 3.000 3.566 3.378 3.720 0.720 2 12 "[*+-********* .]" 1
583 1 45 THR HB 1 46 VAL HA . . 4.000 4.665 4.512 4.758 0.758 11 15 [**********+***-] 1
584 1 45 THR MG 1 46 VAL H . . 2.500 3.548 3.439 3.647 1.147 10 15 [**-******+*****] 1
585 1 45 THR MG 1 46 VAL HA . . 3.500 3.570 3.482 3.708 0.208 10 0 "[ . 1 .]" 1
586 1 46 VAL HA 1 47 GLN H . . 2.000 3.144 3.093 3.235 1.235 15 15 [-*************+] 1
587 1 46 VAL H 1 47 GLN H . . 2.000 2.348 2.176 2.448 0.448 1 0 "[ . 1 .]" 1
588 1 46 VAL HA 1 48 ASN H . . 4.000 4.415 4.054 5.308 1.308 15 2 "[ - 1 +]" 1
589 1 46 VAL H 1 48 ASN H . . 2.500 3.907 3.635 4.136 1.636 15 15 [*********-****+] 1
590 1 46 VAL QG 1 47 GLN HA . . 3.510 3.562 3.414 3.803 0.293 12 0 "[ . 1 .]" 1
591 1 46 VAL QG 1 47 GLN H . . 2.500 2.996 2.913 3.063 0.563 14 8 "[** . **1-**+.]" 1
592 1 46 VAL HB 1 47 GLN HA . . 4.010 5.421 4.903 5.861 1.851 10 15 [*********+*-***] 1
593 1 47 GLN QB 1 48 ASN H . . 2.000 2.866 2.285 3.191 1.191 12 14 [****-******+**.] 1
594 1 47 GLN HA 1 48 ASN H . . 2.000 3.469 3.360 3.566 1.566 15 15 [***********-**+] 1
595 1 47 GLN QG 1 48 ASN H . . 2.500 4.304 4.014 4.424 1.924 12 15 [***********+**-] 1
596 1 47 GLN QG 1 48 ASN HA . . 4.510 5.828 5.747 5.892 1.382 4 15 [***+**********-] 1
597 1 48 ASN HA 1 49 GLU QB . . 4.000 5.151 4.747 5.287 1.287 14 15 [*************+-] 1
598 1 48 ASN QB 1 49 GLU H . . 2.500 3.687 3.385 3.913 1.413 15 15 [*********-****+] 1
599 1 48 ASN HA 1 51 THR MG . . 2.500 3.894 3.584 4.169 1.669 14 15 [*-***********+*] 1
600 1 48 ASN HA 1 52 GLN QE . . 3.500 3.470 2.624 4.638 1.138 9 1 "[ . +1 .]" 1
601 1 48 ASN HA 1 49 GLU H . . 2.500 3.054 2.648 3.265 0.765 10 10 "[* .-***+****.]" 1
602 1 49 GLU QB 1 50 LEU H . . 1.500 1.849 1.748 2.460 0.960 15 2 "[ . 1 - +]" 1
603 1 50 LEU H 1 51 THR H . . 1.500 2.660 2.127 2.799 1.299 10 15 [*********+****-] 1
604 1 50 LEU HA 1 51 THR H . . 2.000 3.427 3.127 3.483 1.483 5 15 [****+******-***] 1
605 1 48 ASN HA 1 51 THR HB . . 3.500 3.711 3.088 3.992 0.492 3 0 "[ . 1 .]" 1
606 1 50 LEU HA 1 51 THR HA . . 3.500 4.847 4.622 4.916 1.416 7 15 [******+****-***] 1
607 1 50 LEU QB 1 51 THR H . . 2.500 3.330 2.849 3.683 1.183 2 9 "[-+ . **1*****]" 1
608 1 51 THR HA 1 52 GLN H . . 2.500 3.399 3.276 3.506 1.006 12 15 [***********+*-*] 1
609 1 51 THR HA 1 52 GLN QG . . 4.000 5.688 4.304 5.992 1.992 1 13 "[+********* ** -]" 1
610 1 51 THR HB 1 52 GLN QG . . 3.500 5.091 3.011 5.657 2.157 9 13 "[********+* ** -]" 1
611 1 51 THR HB 1 52 GLN H . . 2.500 3.392 3.299 3.558 1.058 14 15 [******-******+*] 1
612 1 51 THR HA 1 53 GLU H . . 3.500 4.200 3.927 4.417 0.917 13 14 [****-****1**+**] 1
613 1 71 LEU H 1 73 ASN H . . 2.500 4.437 4.295 4.532 2.032 6 15 [*****+**-******] 1
614 1 51 THR MG 1 52 GLN HA . . 3.500 3.516 3.268 3.932 0.432 11 0 "[ . 1 .]" 1
615 1 51 THR MG 1 52 GLN QG . . 3.500 4.207 2.565 5.366 1.866 10 10 "[* ****-**+ * .]" 1
616 1 51 THR H 1 52 GLN H . . 2.500 2.695 2.238 2.797 0.297 7 0 "[ . 1 .]" 1
617 1 51 THR MG 1 52 GLN H . . 2.500 3.294 2.412 3.922 1.422 14 12 "[* ***- **** *+*]" 1
618 1 51 THR MG 1 52 GLN QE . . 3.500 4.163 2.888 5.042 1.542 10 10 "[*- *****+ **.]" 1
619 1 52 GLN H 1 53 GLU QG . . 3.500 5.360 3.662 5.524 2.024 5 14 "[****+*****- ***]" 1
620 1 52 GLN H 1 53 GLU H . . 1.500 2.167 1.765 2.643 1.143 12 9 "[ ****** *-+ .]" 1
621 1 52 GLN H 1 53 GLU QB . . 2.500 3.613 3.489 3.753 1.253 12 15 [***********+**-] 1
622 1 52 GLN HA 1 53 GLU H . . 1.500 3.104 2.846 3.429 1.929 14 15 [***********-*+*] 1
623 1 54 LEU QB 1 55 LYS H . . 2.500 2.614 2.186 3.927 1.427 2 2 "[ + . 1 - .]" 1
624 1 52 GLN QG 1 53 GLU H . . 3.000 3.431 2.723 4.446 1.446 11 8 "[ **-** 1+* *.]" 1
625 1 53 GLU H 1 54 LEU H . . 1.500 1.964 1.714 2.208 0.708 9 5 "[* . *+1 *-.]" 1
626 1 52 GLN QB 1 54 LEU H . . 3.500 5.449 4.845 5.691 2.191 7 15 [******+******-*] 1
627 1 53 GLU QG 1 54 LEU H . . 3.500 3.669 3.463 4.268 0.768 12 1 "[ . 1 + .]" 1
628 1 53 GLU QB 1 54 LEU H . . 2.500 2.664 2.528 2.799 0.299 11 0 "[ . 1 .]" 1
629 1 54 LEU HG 1 55 LYS H . . 4.010 4.675 4.150 5.360 1.350 12 13 "[* ******** +*-*]" 1
630 1 53 GLU QG 1 55 LYS H . . 3.500 5.205 4.954 5.541 2.041 11 15 [*****-****+****] 1
631 1 54 LEU HA 1 55 LYS H . . 1.500 3.485 2.744 3.568 2.068 14 15 [*-***********+*] 1
632 1 54 LEU QD 1 55 LYS H . . 2.500 2.830 2.484 4.416 1.916 2 2 "[ + . 1 - .]" 1
633 1 54 LEU H 1 55 LYS HA . . 3.500 4.598 4.546 4.741 1.241 11 15 [**********+***-] 1
634 1 54 LEU H 1 55 LYS H . . 1.500 2.017 1.792 2.452 0.952 2 8 "[*+ . **-* **.]" 1
635 1 55 LYS H 1 56 LEU H . . 1.500 2.860 1.914 3.258 1.758 8 14 "[*-*****+*** ***]" 1
636 1 55 LYS QG 1 56 LEU H . . 2.500 3.998 2.918 4.226 1.726 7 14 "[* ****+****-***]" 1
637 1 55 LYS HA 1 56 LEU H . . 1.500 2.976 2.777 3.566 2.066 2 15 [*+*****-*******] 1
638 1 56 LEU HA 1 57 GLN H . . 1.500 3.274 3.208 3.462 1.962 2 15 [*+****-********] 1
639 1 56 LEU QB 1 60 GLN QE . . 4.500 4.627 4.025 5.467 0.967 12 4 "[ * .- 1*+ .]" 1
640 1 55 LYS QG 1 57 GLN H . . 4.000 3.892 3.659 4.459 0.459 2 0 "[ . 1 .]" 1
641 1 56 LEU HG 1 57 GLN H . . 2.500 3.921 2.543 4.333 1.833 7 13 "[*-****+*** ***]" 1
642 1 56 LEU QD 1 60 GLN QE . . 4.500 4.521 3.459 5.053 0.553 9 2 "[ .- +1 .]" 1
643 1 59 PHE QD 1 60 GLN HA . . 4.010 5.410 4.274 5.709 1.699 13 14 "[****** ***-*+**]" 1
644 1 59 PHE QD 1 60 GLN H . . 2.500 4.399 3.640 4.676 2.176 15 15 [******-*******+] 1
645 1 60 GLN QG 1 61 ASP H . . 3.500 4.241 3.440 4.523 1.023 8 13 "[*-**** +** ****]" 1
646 1 60 GLN HA 1 61 ASP H . . 2.500 3.537 3.487 3.554 1.054 15 15 [*************-+] 1
647 1 60 GLN H 1 61 ASP H . . 1.500 2.795 2.657 2.992 1.492 7 15 [****-*+********] 1
648 1 60 GLN HA 1 63 LEU QD . . 3.000 3.566 3.120 3.781 0.781 3 11 "[-*+*** 1*****]" 1
649 1 60 GLN H 1 63 LEU QD . . 4.010 4.803 4.423 4.994 0.984 4 14 [***+****-1*****] 1
650 1 60 GLN QE 1 63 LEU QD . . 4.000 5.344 3.934 5.870 1.870 10 13 "[-***.** *+*****]" 1
651 1 58 GLU HA 1 61 ASP QB . . 2.500 2.909 2.747 3.132 0.632 15 2 "[ . - 1 +]" 1
652 1 58 GLU QG 1 61 ASP H . . 3.500 5.341 5.142 5.551 2.051 10 15 [****-****+*****] 1
653 1 60 GLN HA 1 61 ASP QB . . 4.000 5.212 5.179 5.233 1.233 1 15 [+************-*] 1
654 1 61 ASP QB 1 62 SER HA . . 4.000 4.089 3.756 4.331 0.331 10 0 "[ . 1 .]" 1
655 1 61 ASP HA 1 62 SER H . . 3.500 3.538 3.504 3.563 0.063 9 0 "[ . 1 .]" 1
656 1 61 ASP H 1 62 SER QB . . 4.000 4.782 4.372 5.193 1.193 8 12 "[* **-+*******]" 1
657 1 61 ASP QB 1 62 SER H . . 2.500 2.583 2.465 2.764 0.264 3 0 "[ . 1 .]" 1
658 1 61 ASP HA 1 64 LYS H . . 2.500 3.549 3.309 3.739 1.239 5 15 [****+*-********] 1
659 1 61 ASP HA 1 64 LYS QG . . 2.500 4.308 3.751 4.504 2.004 5 15 [****+***-******] 1
660 1 60 GLN HA 1 62 SER H . . 3.500 4.535 4.276 4.792 1.292 9 15 [***-****+******] 1
661 1 60 GLN H 1 62 SER H . . 2.500 4.250 3.997 4.553 2.053 10 15 [*********+****-] 1
662 1 61 ASP H 1 62 SER H . . 1.500 2.650 2.545 2.774 1.274 7 15 [******+******-*] 1
663 1 62 SER H 1 63 LEU QD . . 4.000 4.748 4.345 5.225 1.225 7 13 "[******+*** *-*]" 1
664 1 62 SER HA 1 63 LEU QB . . 4.000 5.490 5.361 5.545 1.545 4 15 [***+**-********] 1
665 1 59 PHE QD 1 63 LEU QB . . 4.000 5.244 4.537 5.449 1.449 14 15 [******-******+*] 1
666 1 59 PHE QD 1 63 LEU HG . . 3.500 3.541 3.296 3.784 0.284 2 0 "[ . 1 .]" 1
667 1 59 PHE QD 1 63 LEU H . . 4.000 4.816 3.832 5.258 1.258 14 11 "[****** **- *+.]" 1
668 1 60 GLN HA 1 63 LEU H . . 2.500 3.867 3.741 4.007 1.507 2 15 [*+*******-*****] 1
669 1 60 GLN HA 1 63 LEU HG . . 3.010 3.901 3.248 4.366 1.356 7 13 "[******+*-* ***]" 1
670 1 61 ASP H 1 63 LEU H . . 3.000 4.448 3.938 4.749 1.749 2 15 [*+*******-*****] 1
671 1 62 SER QB 1 63 LEU QB . . 4.000 4.726 4.248 5.081 1.081 11 10 "[* * * **+-***]" 1
672 1 62 SER QB 1 63 LEU HG . . 3.500 4.004 3.300 4.573 1.073 11 8 "[* * * *1+ **-]" 1
673 1 62 SER HA 1 63 LEU H . . 1.500 3.563 3.530 3.571 2.071 4 15 [***+*****-*****] 1
674 1 62 SER QB 1 63 LEU H . . 2.500 2.894 2.285 3.298 0.798 7 9 "[* - + *** ***]" 1
675 1 63 LEU HG 1 66 VAL QG . . 3.010 4.589 4.224 4.783 1.773 11 15 [******-***+****] 1
676 1 63 LEU QD 1 66 VAL QG . . 3.000 2.836 2.708 2.903 . 0 0 "[ . 1 .]" 1
677 1 63 LEU H 1 66 VAL HB . . 4.000 6.022 5.562 6.105 2.105 5 15 [****+****-*****] 1
678 1 63 LEU H 1 66 VAL QG . . 4.000 3.941 3.903 4.031 0.031 7 0 "[ . 1 .]" 1
679 1 63 LEU HA 1 66 VAL H . . 2.500 3.750 3.677 3.810 1.310 15 15 [*********-****+] 1
680 1 60 GLN HA 1 64 LYS H . . 3.500 4.095 3.906 4.454 0.954 7 13 "[*-**.*+****** *]" 1
681 1 61 ASP H 1 64 LYS H . . 3.500 4.668 4.467 4.775 1.275 7 15 [******+**-*****] 1
682 1 62 SER HA 1 64 LYS H . . 4.000 4.318 4.084 4.480 0.480 5 0 "[ . 1 .]" 1
683 1 62 SER H 1 64 LYS H . . 2.500 3.956 3.746 4.219 1.719 7 15 [*****-+********] 1
684 1 63 LEU HA 1 64 LYS H . . 1.500 3.507 3.463 3.537 2.037 5 15 [****+-*********] 1
685 1 63 LEU QB 1 64 LYS H . . 2.500 2.686 2.539 2.871 0.371 6 0 "[ . 1 .]" 1
686 1 63 LEU HG 1 64 LYS H . . 3.000 4.340 4.178 4.693 1.693 7 15 [***-**+********] 1
687 1 63 LEU QD 1 64 LYS H . . 3.010 4.113 4.006 4.243 1.233 6 15 [*****+*****-***] 1
688 1 63 LEU H 1 64 LYS H . . 1.500 2.669 2.469 2.786 1.286 5 15 [****+****-*****] 1
689 1 64 LYS HA 1 66 VAL H . . 2.500 4.601 4.225 4.704 2.204 14 15 [*****-*******+*] 1
690 1 64 LYS H 1 67 GLU H . . 3.500 4.593 4.485 4.690 1.190 14 15 [*****-*******+*] 1
691 1 61 ASP HA 1 65 LYS H . . 3.500 3.794 3.683 3.942 0.442 9 0 "[ . 1 .]" 1
692 1 62 SER HA 1 65 LYS QB . . 3.000 3.030 2.885 3.908 0.908 10 1 "[ . + .]" 1
693 1 62 SER QB 1 65 LYS H . . 3.500 5.002 4.865 5.132 1.632 7 15 [*-****+********] 1
694 1 62 SER HA 1 65 LYS H . . 2.500 3.599 3.542 3.652 1.152 7 15 [*-****+********] 1
695 1 63 LEU H 1 65 LYS H . . 3.000 4.329 4.164 4.467 1.467 6 15 [*****+*******-*] 1
696 1 63 LEU QD 1 65 LYS H . . 4.500 5.458 5.265 5.666 1.166 6 15 [*****+*******-*] 1
697 1 63 LEU HA 1 65 LYS H . . 3.000 4.623 4.469 4.793 1.793 6 15 [*****+*******-*] 1
698 1 64 LYS QE 1 65 LYS H . . 3.500 4.194 3.518 5.004 1.504 9 10 "[*** *** +1- **]" 1
699 1 64 LYS QD 1 65 LYS H . . 2.500 3.764 2.577 4.532 2.032 9 11 "[* ****-+1*** *]" 1
700 1 64 LYS H 1 65 LYS H . . 2.500 2.617 2.491 2.724 0.224 5 0 "[ . 1 .]" 1
701 1 64 LYS HA 1 65 LYS H . . 2.500 3.550 3.535 3.559 1.059 6 15 [*****+*******-*] 1
702 1 65 LYS HA 1 66 VAL H . . 2.000 3.553 3.514 3.562 1.562 9 15 [*****-**+******] 1
703 1 65 LYS H 1 66 VAL H . . 1.500 2.791 2.599 2.894 1.394 5 15 [****+****-*****] 1
704 1 65 LYS H 1 66 VAL QG . . 3.010 3.741 3.631 3.901 0.891 7 15 [******+******-*] 1
705 1 65 LYS H 1 67 GLU H . . 3.500 4.141 3.981 4.257 0.757 6 14 "[****-+ ********]" 1
706 1 65 LYS HA 1 68 LYS QG . . 3.010 3.897 2.638 5.129 2.119 10 9 "[** -.* **+ ** .]" 1
707 1 65 LYS HA 1 68 LYS H . . 2.500 3.893 3.745 4.040 1.540 5 15 [*-**+**********] 1
708 1 65 LYS H 1 68 LYS H . . 3.010 4.935 4.819 5.078 2.068 7 15 [-*****+********] 1
709 1 65 LYS HA 1 69 ALA MB . . 2.500 4.379 4.147 4.502 2.002 3 15 [**+******-*****] 1
710 1 65 LYS QE 1 66 VAL H . . 2.500 3.760 2.798 4.516 2.016 8 13 "[***** *+-1*****]" 1
711 1 66 VAL HA 1 67 GLU H . . 1.500 3.540 3.509 3.551 2.051 13 15 [******-*****+**] 1
712 1 66 VAL HA 1 69 ALA H . . 2.500 3.454 3.362 3.556 1.056 3 15 [**+*-**********] 1
713 1 66 VAL HA 1 69 ALA HA . . 3.500 5.321 5.067 5.522 2.022 14 15 [******-******+*] 1
714 1 66 VAL HB 1 69 ALA MB . . 4.000 4.683 4.357 4.912 0.912 10 10 "[****. *+-***.]" 1
715 1 66 VAL HA 1 69 ALA MB . . 2.500 2.666 2.372 2.833 0.333 3 0 "[ . 1 .]" 1
716 1 63 LEU QD 1 67 GLU QG . . 3.500 3.955 3.394 4.123 0.623 3 6 "[ *+*. *1 * -.]" 1
717 1 63 LEU HA 1 67 GLU H . . 3.500 3.896 3.747 3.944 0.444 7 0 "[ . 1 .]" 1
718 1 66 VAL HB 1 67 GLU H . . 2.000 3.897 3.798 3.955 1.955 5 15 [****+****-*****] 1
719 1 66 VAL QG 1 67 GLU HA . . 2.500 2.962 2.925 3.015 0.515 14 5 "[ ***. -1 +.]" 1
720 1 66 VAL QG 1 67 GLU QG . . 3.500 2.627 2.424 2.869 . 0 0 "[ . 1 .]" 1
721 1 66 VAL H 1 67 GLU QG . . 4.000 4.833 4.722 4.940 0.940 9 15 [********+-*****] 1
722 1 66 VAL H 1 67 GLU H . . 1.500 2.635 2.491 2.732 1.232 13 15 [*****-******+**] 1
723 1 66 VAL QG 1 67 GLU H . . 2.000 1.975 1.906 2.141 0.141 7 0 "[ . 1 .]" 1
724 1 67 GLU HA 1 68 LYS H . . 1.500 3.555 3.533 3.569 2.069 9 15 [-*******+******] 1
725 1 67 GLU QG 1 70 SER QB . . 4.000 4.439 4.232 5.009 1.009 15 5 "[ **-* 1 +]" 1
726 1 67 GLU HA 1 71 LEU QD . . 3.010 3.003 2.443 3.671 0.661 7 3 "[ * + 1- .]" 1
727 1 67 GLU QG 1 71 LEU QD . . 4.010 3.368 2.586 4.106 0.096 2 0 "[ . 1 .]" 1
728 1 65 LYS QE 1 68 LYS H . . 3.510 4.871 4.203 5.573 2.063 6 15 [*****+*****-***] 1
729 1 66 VAL HA 1 68 LYS H . . 2.500 4.565 4.303 4.815 2.315 9 15 [********+**-***] 1
730 1 67 GLU QB 1 68 LYS QG . . 3.500 3.793 3.028 4.613 1.113 15 6 "[** . * *- +]" 1
731 1 67 GLU QB 1 68 LYS H . . 2.500 2.485 2.342 2.658 0.158 12 0 "[ . 1 .]" 1
732 1 67 GLU H 1 68 LYS H . . 1.500 2.860 2.695 2.991 1.491 15 15 [*********-****+] 1
733 1 68 LYS QG 1 69 ALA H . . 2.500 3.696 1.875 4.360 1.860 13 12 "[****.* ***-*+*.]" 1
734 1 68 LYS HA 1 69 ALA H . . 1.500 3.542 3.528 3.554 2.054 12 15 [***********+**-] 1
735 1 68 LYS QB 1 69 ALA H . . 2.010 2.695 2.475 3.376 1.366 7 9 "[ -** + ** ***]" 1
736 1 68 LYS HA 1 71 LEU H . . 2.500 3.300 2.884 3.644 1.144 8 14 [****-**+******.] 1
737 1 65 LYS QE 1 69 ALA H . . 3.500 3.815 3.492 4.606 1.106 10 3 "[ .* + - .]" 1
738 1 66 VAL H 1 69 ALA H . . 3.000 4.752 4.592 4.841 1.841 3 15 [**+**-*********] 1
739 1 69 ALA H 1 70 SER H . . 1.800 2.565 2.454 2.701 0.901 15 15 [*************-+] 1
740 1 69 ALA HA 1 72 THR H . . 3.000 3.915 3.705 4.364 1.364 8 15 [*-*****+*******] 1
741 1 69 ALA HA 1 73 ASN QD . . 4.000 6.072 6.020 6.215 2.215 15 15 [*************-+] 1
742 1 68 LYS QB 1 70 SER H . . 4.000 4.398 4.236 4.791 0.791 15 3 "[ - * 1 +]" 1
743 1 69 ALA MB 1 70 SER QB . . 3.500 4.177 3.675 4.437 0.937 1 12 "[+**** * -*****.]" 1
744 1 70 SER HA 1 72 THR MG . . 4.000 5.406 5.104 5.591 1.591 10 15 [*****-***+*****] 1
745 1 70 SER H 1 72 THR MG . . 3.500 4.593 4.467 4.689 1.189 3 15 [**+**-*********] 1
746 1 70 SER H 1 72 THR H . . 3.500 3.556 3.382 3.757 0.257 3 0 "[ . 1 .]" 1
747 1 70 SER QB 1 74 LEU HG . . 3.000 4.153 2.867 4.587 1.587 12 13 "[***** * ***+*-*]" 1
748 1 70 SER QB 1 74 LEU QD . . 2.500 3.068 2.554 3.355 0.855 2 11 "[*+ -**** *** *.]" 1
749 1 70 SER HA 1 74 LEU HG . . 3.000 3.282 2.314 3.773 0.773 1 8 "[+* * * *** -]" 1
750 1 67 GLU QB 1 71 LEU H . . 4.010 4.869 4.471 5.003 0.993 13 13 "[*-*** * ****+**]" 1
751 1 69 ALA HA 1 71 LEU H . . 4.000 4.235 3.858 5.327 1.327 8 2 "[ .- + 1 .]" 1
752 1 70 SER QB 1 71 LEU H . . 2.500 3.148 2.293 3.549 1.049 9 13 "[-**** * +******]" 1
753 1 70 SER HA 1 71 LEU H . . 1.500 3.339 3.157 3.569 2.069 8 15 [*******+-******] 1
754 1 70 SER H 1 71 LEU H . . 1.500 2.110 1.969 2.385 0.885 8 9 "[ **.* +*- ***]" 1
755 1 71 LEU H 1 72 THR HB . . 4.510 5.599 5.348 6.330 1.820 8 15 [*******+*****-*] 1
756 1 71 LEU H 1 72 THR HA . . 4.000 4.528 4.365 5.352 1.352 8 2 "[ .- + 1 .]" 1
757 1 71 LEU H 1 72 THR MG . . 3.500 4.078 3.703 4.769 1.269 8 9 "[** -**+ *** .]" 1
758 1 71 LEU H 1 72 THR H . . 1.500 2.114 1.814 2.838 1.338 8 10 "[** ***+ *** -]" 1
759 1 71 LEU QD 1 72 THR H . . 3.500 4.040 4.000 4.169 0.669 15 15 [**********-***+] 1
760 1 69 ALA MB 1 72 THR H . . 3.500 4.978 4.835 5.154 1.654 6 15 [*****+***-*****] 1
761 1 72 THR H 1 74 LEU QD . . 3.010 4.558 4.330 4.836 1.826 14 15 [*************+-] 1
762 1 69 ALA MB 1 73 ASN QD . . 4.500 6.283 5.856 6.557 2.057 15 15 [*******-******+] 1
763 1 71 LEU HA 1 73 ASN H . . 3.500 3.741 3.375 4.543 1.043 14 5 "[ **. *1 -+.]" 1
764 1 71 LEU QD 1 73 ASN H . . 4.510 5.010 4.509 5.737 1.227 4 8 "[ *+.- **1 ***]" 1
765 1 72 THR HB 1 73 ASN H . . 2.500 3.269 2.763 3.625 1.125 15 13 "[**- ********* +]" 1
766 1 72 THR HB 1 73 ASN QD . . 3.500 3.636 3.388 4.149 0.649 8 2 "[ .- + 1 .]" 1
767 1 72 THR HB 1 73 ASN QB . . 4.000 4.140 3.960 4.403 0.403 15 0 "[ . 1 .]" 1
768 1 72 THR MG 1 73 ASN QB . . 4.500 5.239 5.156 5.429 0.929 15 15 [*************-+] 1
769 1 72 THR HA 1 73 ASN H . . 2.500 3.521 3.486 3.571 1.071 3 15 [**+***********-] 1
770 1 72 THR MG 1 73 ASN H . . 2.500 4.135 3.830 4.281 1.781 10 15 [*********+***-*] 1
771 1 72 THR MG 1 73 ASN HA . . 3.500 5.491 5.437 5.603 2.103 6 15 [*****+***-*****] 1
772 1 72 THR HA 1 73 ASN HA . . 4.000 4.557 4.543 4.575 0.575 6 15 [*****+********-] 1
773 1 72 THR MG 1 73 ASN QD . . 4.500 4.574 4.328 4.936 0.436 8 0 "[ . 1 .]" 1
774 1 73 ASN QB 1 74 LEU HA . . 4.000 4.279 4.231 4.351 0.351 14 0 "[ . 1 .]" 1
775 1 73 ASN QB 1 74 LEU H . . 2.500 3.929 3.877 3.993 1.493 14 15 [******-******+*] 1
776 1 73 ASN QB 1 74 LEU QD . . 2.500 2.964 2.681 3.363 0.863 14 5 "[ -*.* * 1 +.]" 1
777 1 73 ASN H 1 74 LEU QB . . 3.500 3.837 3.481 4.098 0.598 3 3 "[ + . *1 - .]" 1
778 1 73 ASN H 1 74 LEU H . . 1.500 2.165 1.917 2.673 1.173 14 7 "[ **.- **1 *+.]" 1
779 1 73 ASN HA 1 74 LEU H . . 1.500 2.922 2.790 3.010 1.510 7 15 [******+******-*] 1
780 1 73 ASN HD21 1 74 LEU QD . . 4.500 2.105 1.883 2.311 . 0 0 "[ . 1 .]" 1
781 1 73 ASN HA 1 75 THR H . . 3.500 3.386 3.291 3.450 . 0 0 "[ . 1 .]" 1
782 1 74 LEU HA 1 75 THR H . . 1.500 3.019 2.868 3.353 1.853 4 15 [***+-**********] 1
783 1 74 LEU QB 1 75 THR H . . 2.500 3.649 3.187 3.809 1.309 5 15 [***-+**********] 1
784 1 74 LEU H 1 75 THR MG . . 3.500 4.989 4.915 5.095 1.595 4 15 [***+**********-] 1
785 1 74 LEU HA 1 75 THR MG . . 3.010 4.802 4.639 5.043 2.033 4 15 [***+**-********] 1
786 1 71 LEU HA 1 75 THR H . . 3.500 4.208 3.728 4.442 0.942 1 11 "[+*- * * ***** *]" 1
787 1 75 THR H 1 78 LEU QD . . 3.010 4.089 3.241 4.648 1.638 5 11 "[**- + * ***** *]" 1
788 1 75 THR H 1 78 LEU H . . 3.500 4.947 4.435 5.300 1.800 7 15 [******+******-*] 1
789 1 75 THR H 1 79 LYS QG . . 4.000 4.516 4.344 5.022 1.022 6 5 "[- *.+ * 1 *.]" 1
790 1 75 THR MG 1 76 PRO QD . . 2.000 2.086 1.934 2.332 0.332 2 0 "[ . 1 .]" 1
791 1 75 THR HB 1 76 PRO QD . . 3.000 2.854 2.698 2.946 . 0 0 "[ . 1 .]" 1
792 1 75 THR HA 1 76 PRO QG . . 2.500 3.905 3.869 3.959 1.459 14 15 [******-******+*] 1
793 1 75 THR HA 1 76 PRO QD . . 2.000 2.002 1.969 2.051 0.051 14 0 "[ . 1 .]" 1
794 1 76 PRO HA 1 77 GLU H . . 2.500 3.536 3.527 3.547 1.047 13 15 [-***********+**] 1
795 1 76 PRO QB 1 77 GLU H . . 2.500 3.149 3.086 3.195 0.695 11 15 [**********+*-**] 1
796 1 76 PRO HA 1 79 LYS H . . 3.500 3.585 3.498 3.679 0.179 7 0 "[ . 1 .]" 1
797 1 76 PRO HA 1 79 LYS QG . . 3.500 3.626 3.472 4.256 0.756 6 1 "[ .+ 1 .]" 1
798 1 76 PRO HA 1 80 ALA H . . 4.000 4.226 3.978 4.395 0.395 14 0 "[ . 1 .]" 1
799 1 75 THR MG 1 77 GLU H . . 3.500 3.479 3.420 3.562 0.062 11 0 "[ . 1 .]" 1
800 1 75 THR HA 1 77 GLU H . . 3.500 4.087 3.996 4.188 0.688 6 14 "[****-+ ********]" 1
801 1 76 PRO QD 1 77 GLU H . . 2.500 2.605 2.602 2.612 0.112 13 0 "[ . 1 .]" 1
802 1 76 PRO QB 1 77 GLU HA . . 2.500 3.957 3.931 3.976 1.476 11 15 [**********+*-**] 1
803 1 77 GLU QG 1 78 LEU H . . 3.500 4.345 4.153 4.547 1.047 4 15 [***+**********-] 1
804 1 77 GLU HA 1 78 LEU H . . 3.500 3.540 3.503 3.569 0.069 5 0 "[ . 1 .]" 1
805 1 77 GLU H 1 78 LEU H . . 2.500 2.902 2.765 3.015 0.515 15 4 "[ * * 1 - +]" 1
806 1 77 GLU HA 1 79 LYS H . . 3.500 4.996 4.848 5.283 1.783 6 15 [****-+*********] 1
807 1 77 GLU HA 1 80 ALA H . . 3.500 3.769 3.682 3.932 0.432 6 0 "[ . 1 .]" 1
808 1 77 GLU QG 1 80 ALA MB . . 3.500 4.281 3.878 4.568 1.068 9 14 "[********+***- *]" 1
809 1 77 GLU HA 1 80 ALA MB . . 2.500 2.748 2.676 2.823 0.323 2 0 "[ . 1 .]" 1
810 1 75 THR MG 1 78 LEU H . . 3.500 4.405 4.359 4.497 0.997 6 15 [****-+*********] 1
811 1 75 THR MG 1 78 LEU HG . . 4.010 5.659 5.515 5.875 1.865 6 15 [*****+-********] 1
812 1 77 GLU QB 1 78 LEU H . . 2.500 2.593 2.323 2.840 0.340 6 0 "[ . 1 .]" 1
813 1 78 LEU HA 1 79 LYS H . . 1.500 3.569 3.567 3.570 2.070 9 15 [****-***+******] 1
814 1 78 LEU HA 1 79 LYS HA . . 3.500 4.865 4.851 4.879 1.379 2 15 [*+***-*********] 1
815 1 78 LEU HA 1 81 SER QB . . 3.500 2.551 2.389 2.620 . 0 0 "[ . 1 .]" 1
816 1 78 LEU HA 1 81 SER H . . 2.000 3.349 3.293 3.435 1.435 7 15 [****-*+********] 1
817 1 78 LEU QD 1 82 MET ME . . 3.500 3.517 3.370 3.667 0.167 14 0 "[ . 1 .]" 1
818 1 75 THR H 1 79 LYS H . . 3.500 4.962 4.840 5.088 1.588 7 15 [*****-+********] 1
819 1 77 GLU H 1 79 LYS H . . 3.500 4.672 4.505 4.945 1.445 6 15 [****-+*********] 1
820 1 78 LEU QD 1 79 LYS H . . 2.500 3.712 3.570 3.777 1.277 2 15 [*+***-*********] 1
821 1 78 LEU HG 1 79 LYS H . . 3.500 4.743 4.629 4.801 1.301 14 15 [*****-*******+*] 1
822 1 78 LEU H 1 79 LYS H . . 1.500 2.898 2.818 2.997 1.497 7 15 [***-**+********] 1
823 1 78 LEU QB 1 79 LYS H . . 2.000 2.284 2.133 2.344 0.344 5 0 "[ . 1 .]" 1
824 1 79 LYS H 1 80 ALA HA . . 3.500 5.459 5.430 5.510 2.010 7 15 [***-**+********] 1
825 1 79 LYS QB 1 80 ALA H . . 2.000 2.645 2.406 2.700 0.700 1 14 "[+***** -*******]" 1
826 1 79 LYS H 1 80 ALA H . . 1.500 2.893 2.855 2.975 1.475 7 15 [***-**+********] 1
827 1 79 LYS HA 1 81 SER H . . 3.500 4.650 4.235 4.747 1.247 8 15 [******-+*******] 1
828 1 79 LYS H 1 82 MET QG . . 4.010 4.105 3.998 5.022 1.012 7 1 "[ . + 1 .]" 1
829 1 79 LYS HA 1 80 ALA H . . 1.500 3.530 3.521 3.564 2.064 7 15 [**-***+********] 1
830 1 79 LYS QD 1 80 ALA H . . 4.000 5.062 4.263 5.214 1.214 12 14 "[***** -****+***]" 1
831 1 79 LYS QG 1 80 ALA H . . 3.500 4.271 4.159 4.381 0.881 1 15 [+******-*******] 1
832 1 80 ALA HA 1 81 SER H . . 2.500 3.552 3.512 3.560 1.060 8 15 [******-+*******] 1
833 1 80 ALA H 1 81 SER H . . 1.500 2.656 2.630 2.714 1.214 7 15 [******+*****-**] 1
834 1 78 LEU QD 1 81 SER HA . . 4.000 5.636 5.570 5.741 1.741 6 15 [*-***+*********] 1
835 1 78 LEU QD 1 81 SER QB . . 3.500 3.201 3.154 3.286 . 0 0 "[ . 1 .]" 1
836 1 80 ALA MB 1 81 SER HA . . 3.500 3.741 3.691 3.763 0.263 3 0 "[ . 1 .]" 1
837 1 80 ALA MB 1 81 SER H . . 2.500 2.576 2.518 2.804 0.304 7 0 "[ . 1 .]" 1
838 1 81 SER HA 1 82 MET H . . 2.000 3.557 3.552 3.570 1.570 7 15 [******+*****-**] 1
839 1 81 SER H 1 82 MET ME . . 4.000 5.870 4.276 6.027 2.027 15 14 "[****** -******+]" 1
840 1 81 SER HA 1 82 MET ME . . 4.500 6.026 5.863 6.106 1.606 15 15 [*******-******+] 1
841 1 81 SER QB 1 82 MET H . . 2.500 2.497 2.422 2.562 0.062 14 0 "[ . 1 .]" 1
842 1 81 SER HA 1 84 GLU QG . . 3.500 3.986 3.447 4.037 0.537 5 13 "[****+* ***-***]" 1
843 1 78 LEU QD 1 82 MET QG . . 2.500 3.097 2.953 3.601 1.101 7 13 [******+**1*-**.] 1
844 1 78 LEU QD 1 82 MET H . . 2.500 4.231 4.157 4.411 1.911 7 15 [******+******-*] 1
845 1 79 LYS HA 1 82 MET QG . . 3.000 3.024 2.963 3.779 0.779 7 1 "[ . + 1 .]" 1
846 1 79 LYS HA 1 82 MET QB . . 3.500 3.023 2.943 3.151 . 0 0 "[ . 1 .]" 1
847 1 79 LYS HA 1 82 MET H . . 2.500 3.785 3.718 3.807 1.307 6 15 [*****+-********] 1
848 1 81 SER H 1 82 MET H . . 1.500 2.742 2.726 2.801 1.301 7 15 [******+*******-] 1
849 1 82 MET QG 1 83 ASP H . . 3.500 3.789 3.737 4.042 0.542 7 1 "[ . + 1 .]" 1
850 1 82 MET HA 1 83 ASP H . . 2.500 3.533 3.530 3.537 1.037 7 15 [-*****+********] 1
851 1 82 MET H 1 83 ASP QB . . 3.500 4.463 4.403 4.550 1.050 2 15 [*+*-***********] 1
852 1 82 MET HA 1 85 LEU QB . . 2.500 2.444 2.285 2.522 0.022 14 0 "[ . 1 .]" 1
853 1 82 MET HA 1 85 LEU QD . . 2.500 3.077 2.438 3.156 0.656 3 14 "[-*+*** ********]" 1
854 1 82 MET QG 1 85 LEU QD . . 2.500 4.055 3.471 4.140 1.640 14 15 [******-******+*] 1
855 1 82 MET HA 1 86 ARG H . . 2.500 3.952 3.895 4.045 1.545 14 15 [************-+*] 1
856 1 79 LYS HA 1 83 ASP H . . 3.500 3.854 3.779 4.123 0.623 7 1 "[ . + 1 .]" 1
857 1 80 ALA HA 1 83 ASP QB . . 2.500 2.561 2.506 2.669 0.169 7 0 "[ . 1 .]" 1
858 1 80 ALA HA 1 83 ASP H . . 2.500 3.630 3.603 3.697 1.197 7 15 [*****-+********] 1
859 1 80 ALA MB 1 83 ASP QB . . 4.000 3.991 3.974 4.013 0.013 14 0 "[ . 1 .]" 1
860 1 80 ALA MB 1 83 ASP H . . 3.000 4.671 4.648 4.775 1.775 7 15 [******+-*******] 1
861 1 82 MET QB 1 83 ASP H . . 2.500 2.570 2.543 2.586 0.086 11 0 "[ . 1 .]" 1
862 1 82 MET H 1 83 ASP HA . . 3.500 5.272 5.247 5.370 1.870 7 15 [******+*****-**] 1
863 1 83 ASP HA 1 85 LEU H . . 2.500 4.390 4.261 4.426 1.926 13 15 [******-*****+**] 1
864 1 83 ASP HA 1 86 ARG HA . . 4.000 5.519 5.368 5.594 1.594 7 15 [******+******-*] 1
865 1 83 ASP HA 1 86 ARG QG . . 3.500 4.697 4.565 4.778 1.278 7 15 [******+******-*] 1
866 1 83 ASP H 1 86 ARG QD . . 3.500 5.520 5.500 5.547 2.047 14 15 [-************+*] 1
867 1 83 ASP HA 1 86 ARG HE . . 3.500 5.508 5.462 5.558 2.058 14 15 [*********-***+*] 1
868 1 83 ASP HA 1 86 ARG H . . 2.500 3.517 3.451 3.551 1.051 6 15 [*****+*******-*] 1
869 1 83 ASP HA 1 87 GLN H . . 3.500 3.911 3.844 4.078 0.578 7 1 "[ . + 1 .]" 1
870 1 80 ALA MB 1 84 GLU QG . . 3.500 3.870 3.298 3.978 0.478 15 0 "[ . 1 .]" 1
871 1 80 ALA MB 1 84 GLU H . . 3.010 4.645 4.502 4.693 1.683 15 15 [******-*******+] 1
872 1 81 SER HA 1 84 GLU QB . . 3.000 2.899 2.863 3.107 0.107 7 0 "[ . 1 .]" 1
873 1 81 SER QB 1 84 GLU QB . . 4.000 4.621 4.558 4.913 0.913 7 15 [*****-+********] 1
874 1 81 SER HA 1 84 GLU H . . 2.500 3.640 3.620 3.685 1.185 7 15 [*****-+********] 1
875 1 82 MET ME 1 84 GLU H . . 4.520 6.589 6.475 6.647 2.127 6 15 [*****+-********] 1
876 1 83 ASP QB 1 84 GLU H . . 2.500 2.577 2.438 2.673 0.173 13 0 "[ . 1 .]" 1
877 1 83 ASP QB 1 84 GLU HA . . 3.500 3.902 3.717 4.166 0.666 4 3 "[ +. 1-* .]" 1
878 1 83 ASP H 1 84 GLU QG . . 3.500 5.042 4.357 5.109 1.609 14 15 [******-******+*] 1
879 1 83 ASP H 1 84 GLU H . . 1.500 2.719 2.687 2.816 1.316 7 15 [******+*****-**] 1
880 1 84 GLU QB 1 85 LEU H . . 3.000 2.759 2.718 2.785 . 0 0 "[ . 1 .]" 1
881 1 84 GLU QG 1 85 LEU QD . . 3.500 4.722 4.704 4.759 1.259 7 15 [******+******-*] 1
882 1 84 GLU HA 1 85 LEU H . . 2.500 3.513 3.489 3.524 1.024 14 15 [******-******+*] 1
883 1 84 GLU H 1 85 LEU H . . 1.500 2.560 2.523 2.631 1.131 14 15 [************-+*] 1
884 1 84 GLU H 1 85 LEU QB . . 2.500 4.304 4.265 4.379 1.879 14 15 [*****-*******+*] 1
885 1 84 GLU HA 1 86 ARG H . . 3.500 4.285 4.192 4.324 0.824 13 15 [************+-*] 1
886 1 84 GLU HA 1 87 GLN QE . . 4.000 4.653 4.229 4.971 0.971 11 13 "[*-***** **+** *]" 1
887 1 84 GLU HA 1 87 GLN H . . 2.500 3.732 3.667 3.771 1.271 14 15 [******-******+*] 1
888 1 82 MET QB 1 85 LEU H . . 3.500 4.773 4.753 4.833 1.333 14 15 [*****-*******+*] 1
889 1 84 GLU QG 1 85 LEU H . . 3.500 4.353 4.002 4.386 0.886 6 15 [*****+-********] 1
890 1 85 LEU HA 1 86 ARG H . . 2.500 3.501 3.481 3.507 1.007 15 15 [*************-+] 1
891 1 85 LEU QB 1 86 ARG H . . 2.500 2.820 2.803 2.887 0.387 14 0 "[ . 1 .]" 1
892 1 85 LEU H 1 86 ARG H . . 1.500 2.494 2.479 2.499 0.999 15 15 [******-*******+] 1
893 1 85 LEU HA 1 88 ALA MB . . 2.500 2.632 2.538 2.684 0.184 13 0 "[ . 1 .]" 1
894 1 85 LEU QB 1 89 ALA H . . 3.500 4.642 4.572 4.666 1.166 6 15 [*****+*******-*] 1
895 1 83 ASP HA 1 86 ARG QB . . 2.500 2.854 2.712 2.908 0.408 7 0 "[ . 1 .]" 1
896 1 83 ASP QB 1 86 ARG QB . . 3.500 4.534 4.338 4.687 1.187 7 15 [******+******-*] 1
897 1 85 LEU QD 1 86 ARG H . . 2.500 4.092 4.075 4.165 1.665 7 15 [-*****+********] 1
898 1 86 ARG H 1 86 ARG QG . . 3.500 3.962 3.950 3.972 0.472 14 0 "[ . 1 .]" 1
899 1 86 ARG QG 1 87 GLN H . . 3.500 3.982 3.800 4.117 0.617 7 6 "[ - .*+**1 * .]" 1
900 1 86 ARG HA 1 87 GLN H . . 2.500 3.563 3.560 3.566 1.066 14 15 [************-+*] 1
901 1 86 ARG HA 1 88 ALA H . . 2.500 4.558 4.550 4.569 2.069 13 15 [******-*****+**] 1
902 1 86 ARG HA 1 89 ALA MB . . 2.500 2.799 2.720 2.862 0.362 8 0 "[ . 1 .]" 1
903 1 86 ARG QG 1 90 GLU QG . . 3.500 3.176 3.149 3.218 . 0 0 "[ . 1 .]" 1
904 1 86 ARG HA 1 90 GLU QG . . 3.500 3.797 3.764 3.813 0.313 3 0 "[ . 1 .]" 1
905 1 86 ARG HA 1 90 GLU H . . 2.500 3.723 3.700 3.746 1.246 5 15 [****+*-********] 1
906 1 86 ARG QG 1 90 GLU H . . 2.500 4.422 4.377 4.496 1.996 7 15 [******+******-*] 1
907 1 83 ASP QB 1 87 GLN QE . . 3.500 4.442 3.825 4.869 1.369 4 14 "[***+**-* ******]" 1
908 1 84 GLU HA 1 87 GLN QG . . 3.010 3.504 3.295 3.579 0.569 6 10 "[*-**.+ *** * *]" 1
909 1 86 ARG QD 1 87 GLN H . . 3.500 4.962 4.914 5.112 1.612 7 15 [-*****+********] 1
910 1 86 ARG H 1 87 GLN QG . . 3.500 4.326 4.199 4.376 0.876 6 15 [*****+-********] 1
911 1 86 ARG H 1 87 GLN H . . 1.500 2.642 2.616 2.677 1.177 14 15 [******-******+*] 1
912 1 87 GLN QG 1 88 ALA H . . 2.500 3.961 3.873 4.005 1.505 6 15 [*****+*******-*] 1
913 1 87 GLN QB 1 88 ALA H . . 2.500 2.539 2.524 2.550 0.050 14 0 "[ . 1 .]" 1
914 1 87 GLN H 1 88 ALA MB . . 2.500 4.329 4.310 4.340 1.840 15 15 [*************-+] 1
915 1 87 GLN HA 1 88 ALA H . . 1.500 3.537 3.535 3.540 2.040 13 15 [************+-*] 1
916 1 87 GLN HA 1 90 GLU H . . 1.500 3.652 3.629 3.670 2.170 12 15 [****-******+***] 1
917 1 87 GLN HA 1 91 SER H . . 1.500 3.504 3.423 3.543 2.043 4 15 [***+*********-*] 1
918 1 88 ALA MB 1 89 ALA H . . 2.500 2.514 2.498 2.533 0.033 13 0 "[ . 1 .]" 1
919 1 88 ALA HA 1 89 ALA H . . 2.500 3.549 3.546 3.551 1.051 3 15 [**+*********-**] 1
920 1 88 ALA H 1 89 ALA H . . 1.500 2.653 2.643 2.672 1.172 14 15 [************-+*] 1
921 1 89 ALA HA 1 90 GLU H . . 2.500 3.543 3.540 3.546 1.046 14 15 [**********-**+*] 1
922 1 89 ALA HA 1 91 SER H . . 3.500 4.754 4.659 4.839 1.339 14 15 [****-********+*] 1
923 1 89 ALA H 1 91 SER H . . 2.500 4.204 4.135 4.278 1.778 14 15 [****-********+*] 1
924 1 89 ALA HA 1 92 MET ME . . 2.500 2.787 2.498 3.046 0.546 10 1 "[ . + .]" 1
925 1 89 ALA H 1 92 MET ME . . 3.500 4.573 4.061 5.169 1.669 10 15 [*********+****-] 1
926 1 89 ALA HA 1 92 MET QG . . 4.500 4.630 4.478 4.841 0.341 14 0 "[ . 1 .]" 1
927 1 87 GLN H 1 90 GLU H . . 2.500 4.622 4.615 4.634 2.134 14 15 [*********-***+*] 1
928 1 89 ALA MB 1 90 GLU HA . . 2.500 3.832 3.821 3.840 1.340 4 15 [***+***-*******] 1
929 1 89 ALA MB 1 90 GLU QG . . 3.000 3.462 3.409 3.497 0.497 14 0 "[ . 1 .]" 1
930 1 89 ALA MB 1 90 GLU H . . 2.500 2.537 2.502 2.562 0.062 5 0 "[ . 1 .]" 1
931 1 89 ALA H 1 90 GLU H . . 1.500 2.613 2.598 2.628 1.128 12 15 [****-******+***] 1
932 1 90 GLU QG 1 91 SER H . . 3.000 4.279 4.253 4.305 1.305 5 15 [****+********-*] 1
933 1 90 GLU QB 1 91 SER H . . 2.500 2.507 2.447 2.568 0.068 11 0 "[ . 1 .]" 1
934 1 90 GLU H 1 91 SER H . . 1.500 2.660 2.615 2.719 1.219 14 15 [**********-**+*] 1
935 1 87 GLN QG 1 91 SER QB . . 4.000 5.516 5.446 5.550 1.550 14 15 [*-***********+*] 1
936 1 88 ALA HA 1 91 SER H . . 2.000 3.817 3.756 3.913 1.913 14 15 [**********-**+*] 1
937 1 90 GLU QB 1 91 SER HA . . 3.500 3.794 3.769 3.815 0.315 5 0 "[ . 1 .]" 1
938 1 91 SER QB 1 92 MET QG . . 4.000 4.257 3.852 4.544 0.544 11 3 "[ -. 1+ *]" 1
939 1 91 SER HA 1 92 MET QB . . 4.500 5.330 5.308 5.362 0.862 14 15 [**********-**+*] 1
940 1 91 SER HA 1 93 LYS H . . 2.500 4.554 4.452 4.656 2.156 11 15 [**-*******+****] 1
941 1 89 ALA MB 1 92 MET QG . . 4.520 5.685 5.577 5.836 1.316 14 15 [***-*********+*] 1
942 1 89 ALA HA 1 92 MET QB . . 3.000 2.898 2.859 2.943 . 0 0 "[ . 1 .]" 1
943 1 92 MET HA 1 93 LYS H . . 1.500 3.539 3.528 3.551 2.051 12 15 [**-********+***] 1
944 1 92 MET QB 1 93 LYS H . . 2.500 2.652 2.584 2.712 0.212 10 0 "[ . 1 .]" 1
945 1 92 MET HA 1 95 SER QB . . 3.500 3.442 3.310 3.497 . 0 0 "[ . 1 .]" 1
946 1 92 MET HA 1 95 SER H . . 1.500 3.418 3.318 3.511 2.011 10 15 [*********+***-*] 1
947 1 93 LYS HA 1 94 ARG H . . 2.000 3.422 3.358 3.481 1.481 1 15 [+*******-******] 1
948 1 93 LYS HA 1 95 SER H . . 2.500 4.340 4.178 4.400 1.900 10 15 [********-+*****] 1
949 1 93 LYS H 1 95 SER H . . 2.500 4.166 4.100 4.215 1.715 12 15 [***********+*-*] 1
950 1 93 LYS HA 1 96 TYR QB . . 2.500 2.582 2.367 2.944 0.444 9 0 "[ . 1 .]" 1
951 1 93 LYS QG 1 97 VAL HB . . 3.500 3.932 2.313 5.298 1.798 10 9 "[ * ** *+*-* *]" 1
952 1 93 LYS QG 1 97 VAL QG . . 2.510 2.928 1.880 3.930 1.420 5 8 "[ * *+ *1*** -]" 1
953 1 91 SER HA 1 94 ARG QB . . 2.500 2.547 2.435 2.789 0.289 1 0 "[ . 1 .]" 1
954 1 91 SER HA 1 94 ARG H . . 3.500 3.505 3.469 3.539 0.039 12 0 "[ . 1 .]" 1
955 1 92 MET HA 1 94 ARG H . . 2.500 3.943 3.842 4.064 1.564 1 15 [+*******-******] 1
956 1 93 LYS QG 1 94 ARG H . . 3.500 3.221 2.377 4.270 0.770 3 4 "[ + .*-* 1 .]" 1
957 1 93 LYS QE 1 94 ARG H . . 3.500 4.808 3.494 5.525 2.025 10 13 "[****.*-**+** **]" 1
958 1 93 LYS QB 1 94 ARG H . . 2.000 3.356 2.965 3.704 1.704 9 15 [-*******+******] 1
959 1 93 LYS H 1 94 ARG H . . 1.500 2.524 2.462 2.608 1.108 1 15 [+*******-******] 1
960 1 94 ARG QB 1 95 SER QB . . 4.000 4.476 3.874 4.640 0.640 3 13 "[-*+******1 ****]" 1
961 1 94 ARG QG 1 95 SER H . . 2.500 3.706 3.376 3.944 1.444 9 15 [********+-*****] 1
962 1 94 ARG QB 1 95 SER H . . 2.500 2.735 2.675 2.866 0.366 9 0 "[ . 1 .]" 1
963 1 94 ARG HA 1 95 SER H . . 1.500 3.507 3.472 3.525 2.025 10 15 [********-+*****] 1
964 1 94 ARG H 1 95 SER H . . 1.500 2.339 2.195 2.434 0.934 1 15 [+*******-******] 1
965 1 94 ARG HA 1 97 VAL QG . . 3.000 4.066 2.771 4.333 1.333 12 14 [********-1*+***] 1
966 1 94 ARG HA 1 97 VAL HB . . 3.500 3.967 3.383 5.709 2.209 10 5 "[ . +*** -]" 1
967 1 94 ARG H 1 97 VAL QG . . 2.500 4.448 4.305 4.517 2.017 6 15 [*****+***-*****] 1
968 1 95 SER QB 1 98 ALA MB . . 4.500 5.082 4.330 5.549 1.049 12 10 "[*- *** * 1*+* *]" 1
969 1 95 SER HA 1 98 ALA MB . . 3.000 3.632 2.817 4.203 1.203 11 11 "[*****- * 1+** *]" 1
970 1 92 MET ME 1 96 TYR QD . . 3.500 5.320 4.727 5.571 2.071 10 15 [*********+**-**] 1
971 1 95 SER QB 1 96 TYR QB . . 4.000 3.926 3.819 4.166 0.166 10 0 "[ . 1 .]" 1
972 1 95 SER HA 1 96 TYR H . . 2.500 3.393 3.295 3.545 1.045 9 15 [********+**-***] 1
973 1 95 SER QB 1 96 TYR H . . 2.500 3.159 2.508 3.442 0.942 14 12 "[**-**** 1***+*]" 1
974 1 95 SER H 1 96 TYR HA . . 3.500 4.935 4.909 4.980 1.480 9 15 [***-****+******] 1
975 1 96 TYR QE 1 97 VAL QG . . 4.000 3.827 3.769 4.029 0.029 10 0 "[ . 1 .]" 1
976 1 96 TYR QB 1 97 VAL HA . . 4.000 4.343 4.235 4.425 0.425 5 0 "[ . 1 .]" 1
977 1 96 TYR HA 1 97 VAL QG . . 4.500 4.508 4.344 4.841 0.341 9 0 "[ . 1 .]" 1
978 1 96 TYR QB 1 97 VAL QG . . 3.000 2.917 2.820 3.316 0.316 9 0 "[ . 1 .]" 1
979 1 96 TYR QB 1 97 VAL H . . 2.500 2.445 2.255 2.667 0.167 8 0 "[ . 1 .]" 1
980 1 96 TYR H 1 97 VAL QG . . 3.500 3.789 3.605 4.166 0.666 9 1 "[ . +1 .]" 1
981 1 96 TYR HA 1 97 VAL H . . 1.500 3.554 3.527 3.571 2.071 1 15 [+******-*******] 1
982 1 96 TYR H 1 97 VAL H . . 1.500 2.374 2.210 2.751 1.251 9 15 [********+****-*] 1
983 1 96 TYR HA 1 98 ALA H . . 4.000 3.929 3.717 4.377 0.377 2 0 "[ . 1 .]" 1
984 1 96 TYR HA 1 99 ASN QB . . 4.000 5.107 3.755 6.374 2.374 4 9 "[ **+*** *- *.]" 1
985 1 96 TYR HA 1 100 ASP H . . 3.500 4.377 3.278 5.961 2.461 14 11 "[* - ** * ****+*]" 1
986 1 96 TYR H 1 100 ASP H . . 4.500 6.230 4.817 6.646 2.146 8 14 "[*-*****+ ******]" 1
987 1 96 TYR H 1 102 LEU QD . . 4.010 5.428 3.888 6.163 2.153 14 13 "[*-***** *1***+*]" 1
988 1 96 TYR QD 1 102 LEU QD . . 4.000 4.518 3.421 5.508 1.508 11 7 "[* -. *1+** *]" 1
989 1 94 ARG HA 1 97 VAL H . . 2.500 4.060 3.836 4.358 1.858 9 15 [*****-**+******] 1
990 1 96 TYR QD 1 97 VAL H . . 2.500 3.839 3.536 4.049 1.549 6 15 [*****+**-******] 1
991 1 96 TYR QE 1 97 VAL HA . . 4.000 4.905 4.482 5.309 1.309 10 14 "[-******* +*****]" 1
992 1 96 TYR QE 1 97 VAL H . . 4.000 5.439 5.056 5.678 1.678 6 15 [*****+**-******] 1
993 1 96 TYR QD 1 97 VAL HA . . 2.500 4.209 3.939 4.481 1.981 10 15 [-********+*****] 1
994 1 97 VAL H 1 98 ALA MB . . 3.500 4.086 3.813 4.324 0.824 9 11 "[*-**. +******]" 1
995 1 97 VAL HA 1 98 ALA MB . . 3.000 4.494 4.236 4.942 1.942 9 15 [****-***+******] 1
996 1 97 VAL HB 1 98 ALA MB . . 3.500 3.949 3.620 4.846 1.346 14 5 "[ -* . * * +.]" 1
997 1 97 VAL QG 1 98 ALA MB . . 3.500 3.813 3.240 4.507 1.007 14 2 "[ . - 1 +.]" 1
998 1 97 VAL HA 1 100 ASP H . . 3.500 5.203 3.111 5.662 2.162 9 14 "[******-*+**** *]" 1
999 1 97 VAL H 1 100 ASP H . . 4.500 5.975 5.040 6.536 2.036 12 15 [******-****+***] 1
1000 1 97 VAL HB 1 98 ALA HA . . 4.000 4.856 4.335 5.215 1.215 8 14 "[*******+-**** *]" 1
1001 1 97 VAL HB 1 98 ALA H . . 2.500 3.923 3.061 4.412 1.912 3 15 [**+*****-******] 1
1002 1 97 VAL QG 1 98 ALA H . . 2.500 3.612 3.404 3.707 1.207 7 15 [******+*-******] 1
1003 1 97 VAL HA 1 98 ALA H . . 1.500 2.922 2.421 3.446 1.946 9 15 [*-******+******] 1
1004 1 98 ALA H 1 99 ASN HA . . 3.500 4.440 3.953 5.411 1.911 14 13 "[** -* *******+*]" 1
1005 1 98 ALA HA 1 100 ASP H . . 3.500 4.807 3.863 5.693 2.193 6 14 "[*****+****-** *]" 1
1006 1 96 TYR QD 1 99 ASN H . . 3.500 4.833 4.088 5.545 2.045 5 15 [****+***-******] 1
1007 1 97 VAL H 1 99 ASN H . . 3.500 4.540 4.041 5.367 1.867 4 15 [***+***-*******] 1
1008 1 98 ALA MB 1 99 ASN QB . . 3.500 3.712 3.237 4.122 0.622 8 2 "[ . +-1 .]" 1
1009 1 98 ALA MB 1 99 ASN HA . . 3.500 4.409 3.751 5.038 1.538 4 14 "[***+***-***** *]" 1
1010 1 98 ALA MB 1 99 ASN H . . 2.500 3.141 2.438 3.699 1.199 11 8 "[* *. - *1+** *]" 1
1011 1 98 ALA H 1 99 ASN H . . 1.500 2.139 1.678 2.875 1.375 14 8 "[* * *1***+-]" 1
1012 1 98 ALA HA 1 99 ASN H . . 1.500 3.237 2.760 3.569 2.069 14 15 [**********-**+*] 1
1013 1 99 ASN QB 1 100 ASP H . . 3.500 3.864 3.400 4.052 0.552 6 4 "[ *-.+ 1 * .]" 1
1014 1 98 ALA MB 1 100 ASP H . . 3.500 4.795 3.130 5.416 1.916 12 13 "[* ****** **+*-*]" 1
1015 1 98 ALA MB 1 101 PRO QD . . 4.000 5.293 4.423 6.342 2.342 3 14 "[**+***-****** *]" 1
1016 1 98 ALA H 1 101 PRO QD . . 4.000 4.771 3.843 6.246 2.246 5 8 "[ ***+* *-* .]" 1
1017 1 99 ASN QB 1 101 PRO QD . . 4.000 4.101 3.358 4.743 0.743 12 4 "[* . 1 +- *]" 1
1018 1 100 ASP HA 1 101 PRO QD . . 1.500 2.700 1.865 3.469 1.969 11 11 "[*- . ****+****]" 1
1019 1 100 ASP HA 1 101 PRO QG . . 3.500 4.519 3.772 5.228 1.728 13 9 "[* . *-***+**]" 1
1020 1 100 ASP H 1 101 PRO QD . . 2.500 2.557 1.969 4.143 1.643 4 4 "[ -+** 1 .]" 1
1021 1 101 PRO QD 1 102 LEU H . . 2.500 2.816 2.735 2.978 0.478 11 0 "[ . 1 .]" 1
1022 1 101 PRO QG 1 102 LEU HG . . 3.500 4.271 3.311 5.561 2.061 10 9 "[ -*******+ .]" 1
1023 1 101 PRO HA 1 102 LEU HG . . 4.000 5.433 4.877 6.450 2.450 14 15 [**-**********+*] 1
1024 1 101 PRO QB 1 102 LEU H . . 2.500 3.616 3.538 3.740 1.240 11 15 [*-********+****] 1
1025 1 101 PRO QD 1 103 GLU H . . 4.000 4.524 3.925 5.037 1.037 3 7 "[- +*** * * .]" 1
1026 1 100 ASP HA 1 102 LEU H . . 2.500 3.468 3.021 3.909 1.409 12 15 [***********+*-*] 1
1027 1 101 PRO HA 1 102 LEU H . . 1.500 3.367 3.283 3.412 1.912 2 15 [*+********-****] 1
1028 1 102 LEU HA 1 103 GLU QB . . 3.500 4.945 4.175 5.425 1.925 10 15 [********-+*****] 1
1029 1 102 LEU H 1 103 GLU HA . . 3.500 4.863 4.291 5.359 1.859 8 15 [*******+-******] 1
1030 1 100 ASP QB 1 103 GLU H . . 3.500 4.123 3.018 5.317 1.817 8 7 "[* . + *-** *]" 1
1031 1 100 ASP H 1 103 GLU H . . 3.500 4.931 3.272 6.060 2.560 8 10 "[ ******+** -.]" 1
1032 1 102 LEU HA 1 103 GLU H . . 2.500 3.364 3.000 3.542 1.042 9 14 "[***-****+* ****]" 1
1033 1 102 LEU HA 1 103 GLU QG . . 3.500 5.098 3.662 5.315 1.815 14 14 "[*- **********+*]" 1
1034 1 102 LEU QB 1 103 GLU H . . 2.500 3.442 2.588 4.006 1.506 11 13 "[-***** * *+****]" 1
1035 1 102 LEU QD 1 103 GLU H . . 2.500 3.417 2.467 4.102 1.602 7 11 "[**-***+ *1 ** *]" 1
1036 1 102 LEU H 1 103 GLU H . . 1.500 2.293 1.819 2.779 1.279 8 12 "[*-*****+ * ** *]" 1
1037 1 20 LEU QD 1 25 LEU QB . . 5.000 4.898 4.816 4.910 . 0 0 "[ . 1 .]" 1
1038 1 47 GLN QB 1 48 ASN QB . . 4.500 4.368 4.247 4.460 . 0 0 "[ . 1 .]" 1
1039 1 78 LEU QB 1 79 LYS HA . . 5.500 3.720 3.700 3.740 . 0 0 "[ . 1 .]" 1
1040 1 90 GLU QG 1 94 ARG QD . . 6.010 5.465 4.929 5.732 . 0 0 "[ . 1 .]" 1
1041 1 95 SER HA 1 98 ALA H . . 5.500 4.639 3.715 5.646 0.146 3 0 "[ . 1 .]" 1
1042 1 25 LEU QD 1 26 PRO QD . . 4.500 1.914 1.899 1.968 . 0 0 "[ . 1 .]" 1
1043 1 39 LEU QD 1 40 ARG QB . . 5.010 3.373 2.725 4.905 . 0 0 "[ . 1 .]" 1
1044 1 25 LEU QB 1 26 PRO QD . . 4.000 1.742 1.714 1.789 . 0 0 "[ . 1 .]" 1
1045 1 87 GLN QB 1 88 ALA MB . . 4.500 3.772 3.755 3.788 . 0 0 "[ . 1 .]" 1
1046 1 91 SER QB 1 94 ARG QB . . 6.000 4.174 4.015 4.387 . 0 0 "[ . 1 .]" 1
1047 1 33 ALA HA 1 36 ILE MD . . 5.500 3.856 2.874 4.707 . 0 0 "[ . 1 .]" 1
1048 1 6 PHE HA 1 9 LEU QD . . 5.500 3.652 2.853 4.199 . 0 0 "[ . 1 .]" 1
1049 1 38 ALA HA 1 39 LEU QD . . 5.500 5.460 5.075 5.598 0.098 3 0 "[ . 1 .]" 1
1050 1 93 LYS QE 1 97 VAL QG . . 4.500 3.291 2.245 3.893 . 0 0 "[ . 1 .]" 1
1051 1 50 LEU H 1 52 GLN H . . 4.500 4.311 4.130 4.581 0.081 12 0 "[ . 1 .]" 1
1052 1 60 GLN QB 1 61 ASP HA . . 5.500 3.827 3.734 4.172 . 0 0 "[ . 1 .]" 1
1053 1 48 ASN H 1 49 GLU H . . 3.500 2.489 2.125 3.465 . 0 0 "[ . 1 .]" 1
1054 1 17 LEU QD 1 22 PRO QB . . 4.000 3.445 3.426 3.493 . 0 0 "[ . 1 .]" 1
1055 1 37 ARG QD 1 38 ALA H . . 5.500 4.821 4.755 4.878 . 0 0 "[ . 1 .]" 1
1056 1 37 ARG H 1 39 LEU H . . 4.500 4.394 4.306 4.535 0.035 3 0 "[ . 1 .]" 1
1057 1 16 GLY QA 1 19 VAL HB . . 5.000 2.962 2.622 3.043 . 0 0 "[ . 1 .]" 1
1058 1 65 LYS QB 1 68 LYS H . . 4.500 5.274 5.070 5.414 0.914 7 15 [*-****+********] 1
1059 1 35 TRP HB3 1 39 LEU QD . . 5.500 4.366 3.788 4.603 . 0 0 "[ . 1 .]" 1
1060 1 70 SER H 1 71 LEU QB . . 4.500 3.852 3.590 4.078 . 0 0 "[ . 1 .]" 1
1061 1 58 GLU QB 1 59 PHE HB3 . . 6.000 5.238 4.651 5.458 . 0 0 "[ . 1 .]" 1
1062 1 49 GLU H 1 54 LEU QD . . 6.010 7.494 7.057 7.973 1.963 14 15 [*************+-] 1
1063 1 90 GLU HA 1 93 LYS QG . . 4.500 3.128 2.099 4.376 . 0 0 "[ . 1 .]" 1
1064 1 52 GLN QG 1 55 LYS H . . 5.010 6.162 6.085 6.227 1.217 14 15 [***********-*+*] 1
1065 1 33 ALA MB 1 37 ARG QD . . 4.500 4.456 4.374 4.511 0.011 2 0 "[ . 1 .]" 1
1066 1 70 SER HA 1 74 LEU H . . 4.500 5.614 4.815 5.817 1.317 1 13 "[+**-* * *******]" 1
1067 1 42 LEU QD 1 43 ALA MB . . 4.500 4.228 3.099 4.795 0.295 1 0 "[ . 1 .]" 1
1068 1 71 LEU HG 1 72 THR H . . 4.500 5.133 5.075 5.261 0.761 15 15 [*-************+] 1
1069 1 38 ALA H 1 39 LEU H . . 4.500 2.800 2.765 2.837 . 0 0 "[ . 1 .]" 1
1070 1 55 LYS QD 1 58 GLU QB . . 6.500 3.438 2.389 5.020 . 0 0 "[ . 1 .]" 1
1071 1 16 GLY QA 1 17 LEU HA . . 5.500 4.003 3.999 4.020 . 0 0 "[ . 1 .]" 1
1072 1 64 LYS QE 1 65 LYS HA . . 5.010 3.991 2.815 5.015 0.005 9 0 "[ . 1 .]" 1
1073 1 70 SER QB 1 74 LEU H . . 6.000 5.897 4.856 6.214 0.214 14 0 "[ . 1 .]" 1
1074 1 39 LEU H 1 39 LEU QD . . 4.500 2.958 2.523 3.158 . 0 0 "[ . 1 .]" 1
1075 1 35 TRP HB2 1 39 LEU QD . . 5.500 3.021 2.649 3.203 . 0 0 "[ . 1 .]" 1
1076 1 50 LEU QD 1 52 GLN QB . . 5.010 6.086 5.687 6.624 1.614 12 15 [*********-*+***] 1
1077 1 100 ASP QB 1 101 PRO QD . . 4.500 2.849 1.675 3.832 . 0 0 "[ . 1 .]" 1
1078 1 37 ARG HA 1 40 ARG H . . 4.500 3.590 3.479 3.759 . 0 0 "[ . 1 .]" 1
1079 1 47 GLN HA 1 49 GLU H . . 5.500 3.847 3.766 3.963 . 0 0 "[ . 1 .]" 1
1080 1 61 ASP HA 1 64 LYS QE . . 4.500 3.793 2.578 4.509 0.009 7 0 "[ . 1 .]" 1
1081 1 6 PHE QD 1 9 LEU QD . . 4.500 5.191 4.745 5.570 1.070 13 12 "[** *** ****+*-]" 1
1082 1 10 LEU QB 1 14 ILE HA . . 6.510 6.436 6.219 6.518 0.008 9 0 "[ . 1 .]" 1
1083 1 48 ASN H 1 51 THR MG . . 5.500 4.852 4.713 5.618 0.118 15 0 "[ . 1 .]" 1
1084 1 20 LEU QD 1 24 ARG QD . . 4.500 2.833 2.698 2.850 . 0 0 "[ . 1 .]" 1
1085 1 29 VAL HA 1 30 LYS QG . . 5.500 5.313 5.279 5.416 . 0 0 "[ . 1 .]" 1
1086 1 20 LEU QD 1 22 PRO HA . . 5.500 5.989 5.925 6.010 0.510 13 3 "[* . - + .]" 1
1087 1 54 LEU QD 1 58 GLU QG . . 5.010 4.716 3.539 5.020 0.010 10 0 "[ . 1 .]" 1
1088 1 36 ILE MD 1 37 ARG QD . . 6.000 5.738 5.440 6.002 0.002 2 0 "[ . 1 .]" 1
1089 1 25 LEU QD 1 26 PRO QB . . 5.500 2.797 2.776 2.896 . 0 0 "[ . 1 .]" 1
1090 1 35 TRP HE3 1 39 LEU QD . . 5.010 2.188 1.894 2.983 . 0 0 "[ . 1 .]" 1
1091 1 20 LEU QD 1 24 ARG H . . 4.500 5.058 5.008 5.070 0.570 9 15 [********+**-***] 1
1092 1 72 THR H 1 72 THR MG . . 4.500 2.710 2.445 2.955 . 0 0 "[ . 1 .]" 1
1093 1 82 MET HA 1 82 MET ME . . 4.500 2.905 2.639 4.499 . 0 0 "[ . 1 .]" 1
1094 1 54 LEU QD 1 57 GLN QG . . 5.000 5.664 4.953 6.096 1.096 2 13 "[*+*** **-** ***]" 1
1095 1 6 PHE QD 1 10 LEU QB . . 5.000 3.676 2.807 4.598 . 0 0 "[ . 1 .]" 1
1096 1 61 ASP HA 1 64 LYS QD . . 5.500 3.715 2.822 5.316 . 0 0 "[ . 1 .]" 1
1097 1 13 PHE QE 1 25 LEU QD . . 4.000 3.754 3.291 3.994 . 0 0 "[ . 1 .]" 1
1098 1 50 LEU H 1 54 LEU QB . . 5.000 5.328 4.919 5.760 0.760 9 5 "[* . *+1 *-.]" 1
1099 1 51 THR MG 1 52 GLN QB . . 5.500 2.992 2.306 4.538 . 0 0 "[ . 1 .]" 1
1100 1 44 THR HA 1 47 GLN QB . . 4.500 2.291 1.988 2.767 . 0 0 "[ . 1 .]" 1
1101 1 42 LEU QD 1 45 THR MG . . 4.500 3.980 3.466 4.722 0.222 13 0 "[ . 1 .]" 1
1102 1 62 SER HA 1 65 LYS QD . . 5.500 5.041 2.529 5.965 0.465 2 0 "[ . 1 .]" 1
1103 1 10 LEU QD 1 13 PHE QD . . 4.500 3.891 2.932 5.775 1.275 6 3 "[ *+ 1 - .]" 1
1104 1 66 VAL H 1 68 LYS H . . 4.500 4.377 4.038 4.577 0.077 15 0 "[ . 1 .]" 1
1105 1 17 LEU QD 1 25 LEU H . . 6.500 4.954 4.899 5.053 . 0 0 "[ . 1 .]" 1
1106 1 16 GLY QA 1 20 LEU QD . . 6.000 3.948 3.781 4.052 . 0 0 "[ . 1 .]" 1
1107 1 93 LYS HA 1 96 TYR H . . 4.500 3.466 3.408 3.762 . 0 0 "[ . 1 .]" 1
1108 1 58 GLU QB 1 59 PHE HB2 . . 6.000 4.139 4.067 4.210 . 0 0 "[ . 1 .]" 1
1109 1 71 LEU QB 1 72 THR HB . . 6.510 5.936 5.719 6.086 . 0 0 "[ . 1 .]" 1
1110 1 52 GLN QB 1 56 LEU QD . . 6.000 4.234 3.201 4.589 . 0 0 "[ . 1 .]" 1
1111 1 47 GLN QB 1 51 THR MG . . 4.500 3.632 3.345 4.364 . 0 0 "[ . 1 .]" 1
1112 1 4 ILE MG 1 6 PHE QE . . 5.500 5.465 4.819 6.197 0.697 12 1 "[ . 1 + .]" 1
1113 1 65 LYS HA 1 68 LYS QE . . 6.000 5.017 1.887 6.001 0.001 9 0 "[ . 1 .]" 1
1114 1 61 ASP HA 1 64 LYS QB . . 4.500 2.480 2.353 2.611 . 0 0 "[ . 1 .]" 1
1115 1 82 MET ME 1 85 LEU QD . . 5.010 3.572 3.341 5.150 0.140 7 0 "[ . 1 .]" 1
1116 1 78 LEU H 1 78 LEU HG . . 4.500 3.968 3.844 4.108 . 0 0 "[ . 1 .]" 1
1117 1 88 ALA MB 1 91 SER QB . . 5.500 4.674 4.194 4.990 . 0 0 "[ . 1 .]" 1
1118 1 90 GLU HA 1 93 LYS H . . 4.500 3.539 3.508 3.591 . 0 0 "[ . 1 .]" 1
1119 1 58 GLU QG 1 59 PHE HA . . 5.500 4.768 3.492 5.468 . 0 0 "[ . 1 .]" 1
1120 1 87 GLN QB 1 91 SER HA . . 6.010 5.943 5.902 5.972 . 0 0 "[ . 1 .]" 1
1121 1 50 LEU H 1 51 THR HB . . 5.500 4.619 4.029 5.055 . 0 0 "[ . 1 .]" 1
1122 1 60 GLN QB 1 63 LEU HG . . 6.010 5.727 5.174 6.141 0.131 7 0 "[ . 1 .]" 1
1123 1 101 PRO QD 1 102 LEU HG . . 5.500 4.172 2.904 6.027 0.527 9 1 "[ . +1 .]" 1
1124 1 94 ARG QB 1 95 SER HA . . 6.000 4.312 4.217 4.464 . 0 0 "[ . 1 .]" 1
1125 1 37 ARG QD 1 41 SER HA . . 6.520 5.248 4.925 5.469 . 0 0 "[ . 1 .]" 1
1126 1 72 THR HA 1 74 LEU QD . . 6.000 5.749 5.619 5.811 . 0 0 "[ . 1 .]" 1
1127 1 32 VAL QG 1 33 ALA MB . . 4.500 3.689 3.632 3.723 . 0 0 "[ . 1 .]" 1
1128 1 1 MET H1 1 2 PHE QE . . 5.000 4.251 3.663 4.813 . 0 0 "[ . 1 .]" 1
1129 1 15 ILE H 1 18 VAL H . . 5.500 4.812 4.738 4.840 . 0 0 "[ . 1 .]" 1
1130 1 100 ASP QB 1 103 GLU QB . . 5.500 4.596 2.297 5.536 0.036 10 0 "[ . 1 .]" 1
1131 1 59 PHE HA 1 63 LEU H . . 4.500 3.954 3.758 4.296 . 0 0 "[ . 1 .]" 1
1132 1 61 ASP QB 1 64 LYS QE . . 6.000 4.952 3.786 5.698 . 0 0 "[ . 1 .]" 1
1133 1 71 LEU HA 1 72 THR H . . 4.500 3.349 3.209 3.498 . 0 0 "[ . 1 .]" 1
1134 1 6 PHE H 1 9 LEU H . . 5.500 4.218 2.663 4.634 . 0 0 "[ . 1 .]" 1
1135 1 51 THR HA 1 54 LEU QD . . 5.010 5.100 4.855 6.104 1.094 2 1 "[ + . 1 .]" 1
1136 1 91 SER QB 1 94 ARG QD . . 6.000 5.252 4.977 5.476 . 0 0 "[ . 1 .]" 1
1137 1 9 LEU HA 1 11 LEU H . . 4.500 4.877 4.402 5.110 0.610 1 3 "[+ *. 1 -.]" 1
1138 1 90 GLU HA 1 93 LYS QE . . 5.500 4.437 3.435 5.361 . 0 0 "[ . 1 .]" 1
1139 1 76 PRO HA 1 79 LYS QE . . 6.000 2.363 2.252 2.554 . 0 0 "[ . 1 .]" 1
1140 1 6 PHE QE 1 10 LEU QD . . 4.500 3.077 1.916 4.494 . 0 0 "[ . 1 .]" 1
1141 1 46 VAL HB 1 50 LEU QD . . 6.000 3.240 1.841 4.791 . 0 0 "[ . 1 .]" 1
1142 1 65 LYS HA 1 68 LYS QB . . 4.500 3.492 3.116 4.647 0.147 7 0 "[ . 1 .]" 1
1143 1 6 PHE HA 1 10 LEU QB . . 5.500 5.045 4.326 5.578 0.078 6 0 "[ . 1 .]" 1
1144 1 38 ALA MB 1 39 LEU QD . . 5.000 3.888 2.931 4.259 . 0 0 "[ . 1 .]" 1
1145 1 41 SER HA 1 45 THR MG . . 5.500 5.969 5.827 6.256 0.756 15 5 "[ * *-* +]" 1
1146 1 13 PHE HZ 1 25 LEU QD . . 4.500 3.973 3.534 4.576 0.076 11 0 "[ . 1 .]" 1
1147 1 13 PHE QD 1 25 LEU QD . . 4.500 4.701 4.175 4.934 0.434 9 0 "[ . 1 .]" 1
1148 1 13 PHE QE 1 29 VAL QG . . 5.500 4.721 4.149 5.212 . 0 0 "[ . 1 .]" 1
1149 1 17 LEU H 1 22 PRO HA . . 5.500 6.519 6.504 6.578 1.078 12 15 [-**********+***] 1
1150 1 17 LEU HA 1 24 ARG HE . . 5.500 6.421 5.534 6.560 1.060 13 13 "[* *******-* +**]" 1
1151 1 17 LEU H 1 25 LEU QD . . 4.000 4.830 4.648 4.890 0.890 11 15 [**********+-***] 1
1152 1 17 LEU HA 1 25 LEU QD . . 4.000 3.804 3.749 3.828 . 0 0 "[ . 1 .]" 1
1153 1 18 VAL H 1 25 LEU QD . . 5.500 6.271 6.170 6.299 0.799 1 15 [+**********-***] 1
1154 1 20 LEU H 1 25 LEU QD . . 5.000 5.784 5.748 5.869 0.869 2 15 [*+********-****] 1
1155 1 20 LEU HA 1 25 LEU QD . . 5.500 6.467 6.435 6.574 1.074 12 15 [**********-+***] 1
1156 1 20 LEU QD 1 28 ALA MB . . 3.000 3.047 2.958 3.623 0.623 12 2 "[ - . 1 + .]" 1
1157 1 17 LEU QD 1 21 GLY QA . . 5.500 5.116 5.081 5.152 . 0 0 "[ . 1 .]" 1
1158 1 21 GLY H 1 24 ARG H . . 5.000 6.056 6.010 6.142 1.142 2 15 [*+**********-**] 1
1159 1 21 GLY H 1 25 LEU QD . . 5.500 6.021 5.666 6.092 0.592 9 12 "[* ******+*- **]" 1
1160 1 17 LEU QD 1 22 PRO HA . . 3.500 3.506 3.430 3.810 0.310 12 0 "[ . 1 .]" 1
1161 1 17 LEU QD 1 22 PRO QG . . 5.000 4.670 4.637 4.701 . 0 0 "[ . 1 .]" 1
1162 1 22 PRO QG 1 24 ARG H . . 5.010 5.427 5.382 5.579 0.569 2 2 "[ + . 1 - .]" 1
1163 1 17 LEU QD 1 22 PRO QD . . 5.000 4.440 4.411 4.458 . 0 0 "[ . 1 .]" 1
1164 1 23 GLN H 1 24 ARG QG . . 4.010 3.929 3.913 4.064 0.054 12 0 "[ . 1 .]" 1
1165 1 23 GLN QB 1 26 PRO QD . . 5.000 5.761 5.692 5.962 0.962 6 15 [-****+*********] 1
1166 1 20 LEU QD 1 24 ARG HB3 . . 5.500 5.707 5.684 5.872 0.372 12 0 "[ . 1 .]" 1
1167 1 20 LEU QD 1 24 ARG QG . . 4.500 3.998 3.947 4.036 . 0 0 "[ . 1 .]" 1
1168 1 20 LEU QD 1 24 ARG HB2 . . 5.500 4.808 4.759 5.124 . 0 0 "[ . 1 .]" 1
1169 1 17 LEU QB 1 25 LEU QD . . 3.500 4.124 3.946 4.383 0.883 13 14 "[* ********-*+**]" 1
1170 1 20 LEU QD 1 25 LEU HA . . 4.000 3.831 3.803 3.985 . 0 0 "[ . 1 .]" 1
1171 1 20 LEU QD 1 25 LEU H . . 5.010 5.594 5.565 5.619 0.609 2 15 [*+*********-***] 1
1172 1 24 ARG QD 1 27 VAL H . . 3.500 4.500 4.468 4.514 1.014 2 15 [*+*********-***] 1
1173 1 45 THR HB 1 47 GLN QG . . 5.500 6.454 6.304 6.532 1.032 4 15 [***+-**********] 1
1174 1 45 THR MG 1 47 GLN QG . . 5.520 6.409 6.243 6.505 0.985 9 15 [**-*****+******] 1
1175 1 45 THR HA 1 48 ASN QD . . 5.510 5.635 5.125 5.853 0.343 6 0 "[ . 1 .]" 1
1176 1 45 THR HA 1 48 ASN QB . . 4.000 4.151 3.963 4.775 0.775 2 3 "[ + . *-1 .]" 1
1177 1 45 THR HA 1 49 GLU H . . 4.500 4.940 4.468 5.434 0.934 15 7 "[ **-* **1 +]" 1
1178 1 45 THR HA 1 50 LEU H . . 5.000 5.951 4.936 6.138 1.138 15 14 "[**-******** **+]" 1
1179 1 45 THR H 1 50 LEU QD . . 5.520 6.106 5.889 6.394 0.874 11 7 "[* . *+*-**]" 1
1180 1 47 GLN HA 1 50 LEU QD . . 4.000 4.630 3.539 4.994 0.994 4 11 "[***+****** - .]" 1
1181 1 47 GLN HA 1 51 THR H . . 4.000 3.928 3.832 4.055 0.055 14 0 "[ . 1 .]" 1
1182 1 45 THR MG 1 48 ASN QB . . 5.500 5.622 5.483 6.053 0.553 2 1 "[ + . 1 .]" 1
1183 1 47 GLN QG 1 48 ASN QB . . 5.500 6.023 5.867 6.113 0.613 9 11 "[** -****+1 ***.]" 1
1184 1 48 ASN QB 1 49 GLU QB . . 4.500 4.621 4.438 4.728 0.228 2 0 "[ . 1 .]" 1
1185 1 48 ASN QB 1 51 THR MG . . 4.500 5.343 5.002 5.605 1.105 14 15 [*-***********+*] 1
1186 1 48 ASN H 1 50 LEU QD . . 5.000 4.925 4.820 5.145 0.145 12 0 "[ . 1 .]" 1
1187 1 48 ASN QD 1 51 THR MG . . 4.010 4.237 3.951 4.714 0.704 10 2 "[ . +- .]" 1
1188 1 44 THR MG 1 48 ASN QD . . 3.500 3.460 3.245 4.109 0.609 11 2 "[ . -+ .]" 1
1189 1 44 THR HA 1 49 GLU H . . 5.010 5.776 5.155 6.045 1.035 2 13 "[*+*******1 **-*]" 1
1190 1 47 GLN H 1 49 GLU HA . . 5.000 5.966 5.849 6.050 1.050 15 15 [-*************+] 1
1191 1 49 GLU HA 1 51 THR MG . . 5.010 5.790 5.144 6.233 1.223 14 12 "[* ***- **** *+*]" 1
1192 1 49 GLU H 1 51 THR HA . . 4.500 5.172 4.972 5.528 1.028 10 13 "[* *******+*-**.]" 1
1193 1 49 GLU HA 1 52 GLN QG . . 4.500 4.405 4.281 4.779 0.279 11 0 "[ . 1 .]" 1
1194 1 49 GLU HA 1 53 GLU H . . 5.010 5.703 4.982 6.172 1.162 7 10 "[ *****+ *** -]" 1
1195 1 49 GLU HA 1 53 GLU QB . . 4.000 4.669 4.384 5.118 1.118 10 13 "[*******-*+* **.]" 1
1196 1 49 GLU HA 1 54 LEU H . . 5.530 6.692 6.526 6.803 1.273 10 15 [*********+*-***] 1
1197 1 47 GLN QG 1 50 LEU QD . . 5.010 5.145 4.374 5.626 0.616 4 4 "[ *+.*- 1 .]" 1
1198 1 50 LEU H 1 53 GLU H . . 4.500 5.118 4.650 5.667 1.167 12 9 "[ -***** **+ .]" 1
1199 1 44 THR HA 1 51 THR HB . . 5.520 6.635 6.532 6.745 1.225 15 15 [**********-***+] 1
1200 1 50 LEU QD 1 51 THR HB . . 4.500 4.487 4.349 4.986 0.486 10 0 "[ . 1 .]" 1
1201 1 51 THR HA 1 54 LEU QB . . 5.010 5.605 4.922 6.060 1.050 2 11 "[*+*******1 - *]" 1
1202 1 51 THR HB 1 54 LEU H . . 5.010 6.188 6.099 6.257 1.247 11 15 [*-********+****] 1
1203 1 48 ASN HA 1 52 GLN H . . 5.500 5.353 5.320 5.391 . 0 0 "[ . 1 .]" 1
1204 1 50 LEU QD 1 52 GLN H . . 5.000 4.634 4.370 5.135 0.135 12 0 "[ . 1 .]" 1
1205 1 52 GLN H 1 54 LEU QD . . 5.500 5.926 5.790 6.363 0.863 2 3 "[ + - 1 * .]" 1
1206 1 52 GLN H 1 56 LEU QD . . 5.510 5.005 4.955 5.089 . 0 0 "[ . 1 .]" 1
1207 1 50 LEU QD 1 53 GLU H . . 5.010 4.808 4.662 4.963 . 0 0 "[ . 1 .]" 1
1208 1 50 LEU QD 1 53 GLU QB . . 4.500 4.069 3.131 4.937 0.437 11 0 "[ . 1 .]" 1
1209 1 51 THR H 1 53 GLU H . . 4.000 4.115 3.882 4.327 0.327 6 0 "[ . 1 .]" 1
1210 1 50 LEU QD 1 54 LEU H . . 4.500 4.082 3.834 4.306 . 0 0 "[ . 1 .]" 1
1211 1 54 LEU H 1 55 LYS QG . . 4.500 5.318 4.462 5.547 1.047 10 13 "[*-*******+ ***]" 1
1212 1 55 LYS QG 1 56 LEU QB . . 4.520 5.050 3.909 5.339 0.819 5 12 "[* **+-**** ***]" 1
1213 1 51 THR H 1 56 LEU QB . . 5.010 5.848 5.724 5.960 0.950 8 15 [*******+***-***] 1
1214 1 52 GLN QG 1 56 LEU QD . . 5.500 4.705 4.311 5.028 . 0 0 "[ . 1 .]" 1
1215 1 56 LEU HA 1 59 PHE QD . . 5.000 4.854 4.816 5.213 0.213 2 0 "[ . 1 .]" 1
1216 1 56 LEU HA 1 59 PHE QB . . 4.000 3.968 3.876 4.145 0.145 12 0 "[ . 1 .]" 1
1217 1 56 LEU QB 1 59 PHE QD . . 5.000 6.199 6.074 6.235 1.235 6 15 [*-***+*********] 1
1218 1 51 THR MG 1 57 GLN QE . . 5.510 6.567 5.490 6.798 1.288 10 14 "[- *******+*****]" 1
1219 1 54 LEU HA 1 57 GLN H . . 4.500 5.424 4.470 5.614 1.114 12 14 "[* ***-*****+***]" 1
1220 1 54 LEU QD 1 57 GLN QE . . 5.000 5.090 4.620 5.380 0.380 15 0 "[ . 1 .]" 1
1221 1 55 LYS HA 1 57 GLN QE . . 5.000 5.322 3.634 5.862 0.862 1 10 "[+ *******1 * -]" 1
1222 1 56 LEU HA 1 58 GLU H . . 5.000 5.004 4.916 5.664 0.664 7 1 "[ . + 1 .]" 1
1223 1 50 LEU QD 1 59 PHE QD . . 5.000 5.111 3.620 5.848 0.848 6 6 "[ ***+* - .]" 1
1224 1 54 LEU QD 1 59 PHE QD . . 5.000 5.992 4.998 6.200 1.200 7 14 "[* ****+*****-**]" 1
1225 1 54 LEU QD 1 59 PHE H . . 5.000 5.901 4.963 6.213 1.213 14 14 "[*-**** ******+*]" 1
1226 1 56 LEU QD 1 59 PHE QD . . 5.510 6.174 6.009 6.430 0.920 12 14 "[****-******+* *]" 1
1227 1 56 LEU QD 1 59 PHE H . . 5.000 5.386 4.993 5.705 0.705 2 2 "[ + . 1 - .]" 1
1228 1 56 LEU QB 1 59 PHE H . . 5.010 6.001 5.713 6.084 1.074 7 15 [*-****+********] 1
1229 1 59 PHE H 1 60 GLN QG . . 5.510 6.143 5.911 6.337 0.827 14 12 "[** ********-+.]" 1
1230 1 59 PHE QD 1 60 GLN QG . . 5.510 6.423 5.769 6.536 1.026 10 14 "[**-*** **+*****]" 1
1231 1 56 LEU QD 1 60 GLN QG . . 5.010 5.411 4.942 6.011 1.001 6 7 "[ ***+* 1 -*]" 1
1232 1 67 GLU HA 1 78 LEU QD . . 5.010 5.588 5.482 5.752 0.742 6 8 "[ **.+ **1 **-]" 1
1233 1 68 LYS QD 1 78 LEU QD . . 4.000 4.373 3.922 4.941 0.941 7 5 "[ * * + 1 * -]" 1
1234 1 70 SER H 1 74 LEU QD . . 4.500 4.980 4.420 5.173 0.673 2 9 "[*+ *- * *** *.]" 1
1235 1 70 SER H 1 78 LEU QD . . 5.010 5.652 5.586 5.767 0.757 6 15 [****-+*********] 1
1236 1 68 LYS QG 1 71 LEU H . . 5.010 5.142 4.735 5.657 0.647 4 4 "[ +.- * 1 *.]" 1
1237 1 71 LEU HG 1 72 THR MG . . 5.510 6.631 6.582 6.752 1.242 15 15 [****-*********+] 1
1238 1 71 LEU HA 1 74 LEU QD . . 3.500 3.818 3.686 4.217 0.717 6 4 "[ *.+ * 1 -.]" 1
1239 1 71 LEU QB 1 75 THR H . . 4.500 5.009 4.804 5.273 0.773 13 6 "[ * .* -*1 + *]" 1
1240 1 71 LEU HA 1 75 THR MG . . 4.500 4.521 4.479 4.609 0.109 14 0 "[ . 1 .]" 1
1241 1 71 LEU H 1 78 LEU QD . . 4.000 4.366 4.098 4.537 0.537 15 1 "[ . 1 +]" 1
1242 1 72 THR HB 1 74 LEU QD . . 5.000 5.221 5.125 5.441 0.441 15 0 "[ . 1 .]" 1
1243 1 72 THR MG 1 78 LEU QD . . 4.500 4.446 4.368 4.487 . 0 0 "[ . 1 .]" 1
1244 1 72 THR HB 1 78 LEU QD . . 5.510 5.903 5.622 6.094 0.584 7 7 "[** * + **- .]" 1
1245 1 72 THR HA 1 79 LYS HA . . 5.500 6.525 6.516 6.544 1.044 8 15 [*******+*****-*] 1
1246 1 72 THR MG 1 82 MET ME . . 3.500 4.485 4.111 4.518 1.018 6 15 [*****+-********] 1
1247 1 69 ALA MB 1 74 LEU QD . . 5.010 5.500 4.999 5.739 0.729 7 8 "[** * + *** -]" 1
1248 1 71 LEU QD 1 74 LEU QB . . 4.000 2.955 2.271 3.563 . 0 0 "[ . 1 .]" 1
1249 1 71 LEU QD 1 74 LEU HA . . 5.010 5.300 4.603 5.950 0.940 14 8 "[ **.* **1 *+-]" 1
1250 1 74 LEU HA 1 78 LEU QD . . 5.520 5.971 5.386 6.326 0.806 7 8 "[** * + *-* *]" 1
1251 1 72 THR MG 1 78 LEU QB . . 5.000 4.951 4.920 4.991 . 0 0 "[ . 1 .]" 1
1252 1 72 THR MG 1 78 LEU HG . . 4.010 4.787 4.577 4.977 0.967 11 15 [*******-**+****] 1
1253 1 75 THR MG 1 78 LEU QB . . 5.000 4.989 4.944 5.141 0.141 6 0 "[ . 1 .]" 1
1254 1 74 LEU QD 1 79 LYS QG . . 5.500 6.287 6.265 6.344 0.844 6 15 [*****+-********] 1
1255 1 75 THR MG 1 79 LYS H . . 5.500 6.122 6.003 6.316 0.816 8 15 [-******+*******] 1
1256 1 75 THR MG 1 79 LYS QE . . 5.000 6.001 5.999 6.004 1.004 6 15 [*****+********-] 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 112
_Distance_constraint_stats_list.Viol_count 1580
_Distance_constraint_stats_list.Viol_total 6196.630
_Distance_constraint_stats_list.Viol_max 2.210
_Distance_constraint_stats_list.Viol_rms 0.2598
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2459
_Distance_constraint_stats_list.Viol_average_violations_only 0.2615
_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 6 PHE 4.385 0.274 14 0 "[ . 1 .]"
1 7 SER 8.805 0.366 5 0 "[ . 1 .]"
1 8 GLU 4.177 0.267 12 0 "[ . 1 .]"
1 9 LEU 5.290 0.318 8 0 "[ . 1 .]"
1 10 LEU 8.946 0.321 12 0 "[ . 1 .]"
1 11 LEU 10.465 0.366 5 0 "[ . 1 .]"
1 12 VAL 11.704 0.314 12 0 "[ . 1 .]"
1 13 PHE 5.290 0.318 8 0 "[ . 1 .]"
1 14 ILE 11.018 0.321 12 0 "[ . 1 .]"
1 15 ILE 6.570 0.329 13 0 "[ . 1 .]"
1 16 GLY 12.360 0.314 12 0 "[ . 1 .]"
1 18 VAL 6.456 0.300 3 0 "[ . 1 .]"
1 19 VAL 4.910 0.329 13 0 "[ . 1 .]"
1 20 LEU 4.834 0.225 11 0 "[ . 1 .]"
1 26 PRO 6.899 0.297 1 0 "[ . 1 .]"
1 27 VAL 7.354 0.357 1 0 "[ . 1 .]"
1 28 ALA 5.043 0.298 1 0 "[ . 1 .]"
1 29 VAL 7.709 0.377 1 0 "[ . 1 .]"
1 30 LYS 12.074 0.336 1 0 "[ . 1 .]"
1 31 THR 23.529 0.555 7 15 [***-**+********]
1 32 VAL 10.483 0.298 1 0 "[ . 1 .]"
1 33 ALA 15.413 0.377 1 0 "[ . 1 .]"
1 34 GLY 19.220 0.490 2 0 "[ . 1 .]"
1 35 TRP 25.136 0.555 7 15 [***-**+********]
1 36 ILE 14.569 0.351 11 0 "[ . 1 .]"
1 37 ARG 11.121 0.310 12 0 "[ . 1 .]"
1 38 ALA 23.111 0.490 2 0 "[ . 1 .]"
1 39 LEU 11.946 0.358 2 0 "[ . 1 .]"
1 40 ARG 19.022 0.437 10 0 "[ . 1 .]"
1 41 SER 8.684 0.295 5 0 "[ . 1 .]"
1 42 LEU 18.919 0.515 10 1 "[ . + .]"
1 43 ALA 2.985 0.268 3 0 "[ . 1 .]"
1 44 THR 9.894 0.437 10 0 "[ . 1 .]"
1 45 THR 5.267 0.295 5 0 "[ . 1 .]"
1 46 VAL 9.852 0.515 10 1 "[ . + .]"
1 56 LEU 58.119 2.210 7 15 [******+**-*****]
1 57 GLN 1.490 0.184 14 0 "[ . 1 .]"
1 58 GLU 7.078 0.514 7 1 "[ . + 1 .]"
1 59 PHE 6.972 0.365 7 0 "[ . 1 .]"
1 60 GLN 66.885 2.210 7 15 [******+**-*****]
1 61 ASP 1.981 0.184 14 0 "[ . 1 .]"
1 62 SER 16.367 0.514 7 1 "[ . + 1 .]"
1 63 LEU 13.466 0.365 7 0 "[ . 1 .]"
1 64 LYS 17.437 0.448 10 0 "[ . 1 .]"
1 65 LYS 10.375 0.396 3 0 "[ . 1 .]"
1 66 VAL 14.820 0.518 15 1 "[ . 1 +]"
1 67 GLU 11.004 0.428 15 0 "[ . 1 .]"
1 68 LYS 14.879 0.405 7 0 "[ . 1 .]"
1 69 ALA 9.884 0.396 3 0 "[ . 1 .]"
1 70 SER 5.531 0.518 15 1 "[ . 1 +]"
1 71 LEU 4.510 0.428 15 0 "[ . 1 .]"
1 72 THR 6.207 0.372 6 0 "[ . 1 .]"
1 77 GLU 8.434 0.321 13 0 "[ . 1 .]"
1 78 LEU 1.170 0.244 7 0 "[ . 1 .]"
1 79 LYS 6.163 0.283 7 0 "[ . 1 .]"
1 80 ALA 8.127 0.308 7 0 "[ . 1 .]"
1 81 SER 15.276 0.321 13 0 "[ . 1 .]"
1 82 MET 3.101 0.244 7 0 "[ . 1 .]"
1 83 ASP 14.341 0.328 7 0 "[ . 1 .]"
1 84 GLU 16.875 0.327 7 0 "[ . 1 .]"
1 85 LEU 13.680 0.276 7 0 "[ . 1 .]"
1 86 ARG 2.283 0.146 14 0 "[ . 1 .]"
1 87 GLN 9.445 0.328 7 0 "[ . 1 .]"
1 88 ALA 17.903 0.330 14 0 "[ . 1 .]"
1 89 ALA 13.377 0.276 7 0 "[ . 1 .]"
1 90 GLU 4.790 0.333 9 0 "[ . 1 .]"
1 91 SER 9.876 0.361 9 0 "[ . 1 .]"
1 92 MET 15.252 0.440 11 0 "[ . 1 .]"
1 93 LYS 6.539 0.261 12 0 "[ . 1 .]"
1 94 ARG 4.437 0.333 9 0 "[ . 1 .]"
1 95 SER 8.609 0.361 9 0 "[ . 1 .]"
1 96 TYR 6.097 0.440 11 0 "[ . 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 6 PHE O 1 10 LEU H . . 1.800 1.921 1.740 2.042 0.242 6 0 "[ . 1 .]" 2
2 1 6 PHE O 1 10 LEU N . . 2.700 2.859 2.662 2.974 0.274 14 0 "[ . 1 .]" 2
3 1 7 SER O 1 11 LEU H . . 1.800 2.073 1.930 2.160 0.360 13 0 "[ . 1 .]" 2
4 1 7 SER O 1 11 LEU N . . 2.700 3.014 2.900 3.066 0.366 5 0 "[ . 1 .]" 2
5 1 8 GLU O 1 12 VAL H . . 1.800 1.922 1.780 2.056 0.256 12 0 "[ . 1 .]" 2
6 1 8 GLU O 1 12 VAL N . . 2.700 2.854 2.728 2.967 0.267 12 0 "[ . 1 .]" 2
7 1 9 LEU O 1 13 PHE H . . 1.800 1.957 1.801 2.076 0.276 7 0 "[ . 1 .]" 2
8 1 9 LEU O 1 13 PHE N . . 2.700 2.896 2.718 3.018 0.318 8 0 "[ . 1 .]" 2
9 1 10 LEU O 1 14 ILE H . . 1.800 1.967 1.835 2.121 0.321 12 0 "[ . 1 .]" 2
10 1 10 LEU O 1 14 ILE N . . 2.700 2.837 2.750 2.920 0.220 11 0 "[ . 1 .]" 2
11 1 11 LEU O 1 15 ILE H . . 1.800 1.819 1.753 1.909 0.109 5 0 "[ . 1 .]" 2
12 1 11 LEU O 1 15 ILE N . . 2.700 2.782 2.724 2.871 0.171 5 0 "[ . 1 .]" 2
13 1 12 VAL O 1 16 GLY H . . 1.800 2.071 2.012 2.114 0.314 9 0 "[ . 1 .]" 2
14 1 12 VAL O 1 16 GLY N . . 2.700 2.931 2.897 3.014 0.314 12 0 "[ . 1 .]" 2
15 1 14 ILE O 1 18 VAL H . . 1.800 1.981 1.787 2.033 0.233 3 0 "[ . 1 .]" 2
16 1 14 ILE O 1 18 VAL N . . 2.700 2.948 2.753 3.000 0.300 3 0 "[ . 1 .]" 2
17 1 15 ILE O 1 19 VAL H . . 1.800 2.045 2.015 2.129 0.329 13 0 "[ . 1 .]" 2
18 1 15 ILE O 1 19 VAL N . . 2.700 2.782 2.731 2.871 0.171 13 0 "[ . 1 .]" 2
19 1 16 GLY O 1 20 LEU H . . 1.800 1.990 1.933 2.025 0.225 11 0 "[ . 1 .]" 2
20 1 16 GLY O 1 20 LEU N . . 2.700 2.832 2.730 2.894 0.194 11 0 "[ . 1 .]" 2
21 1 26 PRO O 1 30 LYS H . . 1.800 2.016 2.002 2.097 0.297 1 0 "[ . 1 .]" 2
22 1 26 PRO O 1 30 LYS N . . 2.700 2.944 2.906 2.974 0.274 12 0 "[ . 1 .]" 2
23 1 27 VAL O 1 31 THR H . . 1.800 2.031 2.006 2.127 0.327 1 0 "[ . 1 .]" 2
24 1 27 VAL O 1 31 THR N . . 2.700 2.960 2.930 3.057 0.357 1 0 "[ . 1 .]" 2
25 1 28 ALA O 1 32 VAL H . . 1.800 1.943 1.876 2.072 0.272 1 0 "[ . 1 .]" 2
26 1 28 ALA O 1 32 VAL N . . 2.700 2.893 2.832 2.998 0.298 1 0 "[ . 1 .]" 2
27 1 29 VAL O 1 33 ALA H . . 1.800 2.055 2.037 2.177 0.377 1 0 "[ . 1 .]" 2
28 1 29 VAL O 1 33 ALA N . . 2.700 2.959 2.935 3.041 0.341 1 0 "[ . 1 .]" 2
29 1 30 LYS O 1 34 GLY H . . 1.800 2.118 2.099 2.136 0.336 1 0 "[ . 1 .]" 2
30 1 30 LYS O 1 34 GLY N . . 2.700 2.727 2.715 2.766 0.066 1 0 "[ . 1 .]" 2
31 1 31 THR O 1 35 TRP H . . 1.800 2.343 2.329 2.355 0.555 7 15 [***-**+********] 2
32 1 31 THR O 1 35 TRP N . . 2.700 3.235 3.221 3.254 0.554 1 15 [+**-***********] 2
33 1 32 VAL O 1 36 ILE H . . 1.800 2.008 1.910 2.070 0.270 13 0 "[ . 1 .]" 2
34 1 32 VAL O 1 36 ILE N . . 2.700 2.855 2.776 2.913 0.213 5 0 "[ . 1 .]" 2
35 1 33 ALA O 1 37 ARG H . . 1.800 2.036 2.008 2.060 0.260 12 0 "[ . 1 .]" 2
36 1 33 ALA O 1 37 ARG N . . 2.700 2.978 2.943 3.010 0.310 12 0 "[ . 1 .]" 2
37 1 34 GLY O 1 38 ALA H . . 1.800 2.263 2.247 2.277 0.477 6 0 "[ . 1 .]" 2
38 1 34 GLY O 1 38 ALA N . . 2.700 3.174 3.152 3.190 0.490 2 0 "[ . 1 .]" 2
39 1 35 TRP O 1 39 LEU H . . 1.800 2.078 2.053 2.117 0.317 1 0 "[ . 1 .]" 2
40 1 35 TRP O 1 39 LEU N . . 2.700 3.020 2.997 3.058 0.358 2 0 "[ . 1 .]" 2
41 1 36 ILE O 1 40 ARG H . . 1.800 2.109 2.095 2.129 0.329 3 0 "[ . 1 .]" 2
42 1 36 ILE O 1 40 ARG N . . 2.700 3.000 2.973 3.051 0.351 11 0 "[ . 1 .]" 2
43 1 37 ARG O 1 41 SER H . . 1.800 1.888 1.827 2.015 0.215 3 0 "[ . 1 .]" 2
44 1 37 ARG O 1 41 SER N . . 2.700 2.840 2.769 2.976 0.276 3 0 "[ . 1 .]" 2
45 1 38 ALA O 1 42 LEU H . . 1.800 2.101 2.071 2.125 0.325 11 0 "[ . 1 .]" 2
46 1 38 ALA O 1 42 LEU N . . 2.700 3.003 2.961 3.033 0.333 3 0 "[ . 1 .]" 2
47 1 39 LEU O 1 43 ALA H . . 1.800 1.876 1.780 2.015 0.215 3 0 "[ . 1 .]" 2
48 1 39 LEU O 1 43 ALA N . . 2.700 2.819 2.742 2.968 0.268 3 0 "[ . 1 .]" 2
49 1 40 ARG O 1 44 THR H . . 1.800 2.092 2.050 2.164 0.364 10 0 "[ . 1 .]" 2
50 1 40 ARG O 1 44 THR N . . 2.700 3.068 3.019 3.137 0.437 10 0 "[ . 1 .]" 2
51 1 41 SER O 1 45 THR H . . 1.800 2.006 1.910 2.095 0.295 5 0 "[ . 1 .]" 2
52 1 41 SER O 1 45 THR N . . 2.700 2.845 2.742 2.940 0.240 5 0 "[ . 1 .]" 2
53 1 42 LEU O 1 46 VAL H . . 1.800 2.200 2.135 2.315 0.515 10 1 "[ . + .]" 2
54 1 42 LEU O 1 46 VAL N . . 2.700 2.957 2.895 3.034 0.334 5 0 "[ . 1 .]" 2
55 1 57 GLN O 1 61 ASP H . . 1.800 1.825 1.672 1.984 0.184 14 0 "[ . 1 .]" 2
56 1 57 GLN O 1 61 ASP N . . 2.700 2.750 2.606 2.842 0.142 13 0 "[ . 1 .]" 2
57 1 58 GLU O 1 62 SER H . . 1.800 2.026 1.875 2.314 0.514 7 1 "[ . + 1 .]" 2
58 1 58 GLU O 1 62 SER N . . 2.700 2.946 2.823 3.205 0.505 7 1 "[ . + 1 .]" 2
59 1 59 PHE O 1 63 LEU H . . 1.800 2.001 1.796 2.123 0.323 7 0 "[ . 1 .]" 2
60 1 59 PHE O 1 63 LEU N . . 2.700 2.964 2.769 3.065 0.365 7 0 "[ . 1 .]" 2
61 1 60 GLN O 1 64 LYS H . . 1.800 2.123 2.060 2.248 0.448 10 0 "[ . 1 .]" 2
62 1 60 GLN O 1 64 LYS N . . 2.700 2.961 2.875 3.092 0.392 7 0 "[ . 1 .]" 2
63 1 61 ASP O 1 65 LYS H . . 1.800 1.788 1.753 1.839 0.039 4 0 "[ . 1 .]" 2
64 1 61 ASP O 1 65 LYS N . . 2.700 2.729 2.719 2.746 0.046 8 0 "[ . 1 .]" 2
65 1 62 SER O 1 66 VAL H . . 1.800 2.077 2.038 2.192 0.392 10 0 "[ . 1 .]" 2
66 1 62 SER O 1 66 VAL N . . 2.700 3.042 3.016 3.111 0.411 7 0 "[ . 1 .]" 2
67 1 63 LEU O 1 67 GLU H . . 1.800 2.023 1.882 2.147 0.347 10 0 "[ . 1 .]" 2
68 1 63 LEU O 1 67 GLU N . . 2.700 2.910 2.735 3.012 0.312 6 0 "[ . 1 .]" 2
69 1 64 LYS O 1 68 LYS H . . 1.800 2.060 2.032 2.133 0.333 7 0 "[ . 1 .]" 2
70 1 64 LYS O 1 68 LYS N . . 2.700 3.018 2.965 3.105 0.405 7 0 "[ . 1 .]" 2
71 1 65 LYS O 1 69 ALA H . . 1.800 2.116 2.037 2.195 0.395 6 0 "[ . 1 .]" 2
72 1 65 LYS O 1 69 ALA N . . 2.700 3.043 2.967 3.096 0.396 3 0 "[ . 1 .]" 2
73 1 66 VAL O 1 70 SER H . . 1.800 2.132 2.019 2.318 0.518 15 1 "[ . 1 +]" 2
74 1 66 VAL O 1 70 SER N . . 2.700 2.729 2.657 3.027 0.327 15 0 "[ . 1 .]" 2
75 1 67 GLU O 1 71 LEU H . . 1.800 2.084 1.703 2.228 0.428 15 0 "[ . 1 .]" 2
76 1 67 GLU O 1 71 LEU N . . 2.700 2.625 2.481 2.731 0.031 10 0 "[ . 1 .]" 2
77 1 68 LYS O 1 72 THR H . . 1.800 2.092 2.038 2.172 0.372 6 0 "[ . 1 .]" 2
78 1 68 LYS O 1 72 THR N . . 2.700 2.793 2.594 3.050 0.350 6 0 "[ . 1 .]" 2
79 1 77 GLU O 1 81 SER H . . 1.800 2.068 2.014 2.103 0.303 13 0 "[ . 1 .]" 2
80 1 77 GLU O 1 81 SER N . . 2.700 2.994 2.872 3.021 0.321 13 0 "[ . 1 .]" 2
81 1 78 LEU O 1 82 MET H . . 1.800 1.792 1.769 1.994 0.194 7 0 "[ . 1 .]" 2
82 1 78 LEU O 1 82 MET N . . 2.700 2.765 2.745 2.944 0.244 7 0 "[ . 1 .]" 2
83 1 79 LYS O 1 83 ASP H . . 1.800 2.018 1.996 2.038 0.238 6 0 "[ . 1 .]" 2
84 1 79 LYS O 1 83 ASP N . . 2.700 2.893 2.870 2.983 0.283 7 0 "[ . 1 .]" 2
85 1 80 ALA O 1 84 GLU H . . 1.800 2.057 2.041 2.081 0.281 15 0 "[ . 1 .]" 2
86 1 80 ALA O 1 84 GLU N . . 2.700 2.984 2.967 3.008 0.308 7 0 "[ . 1 .]" 2
87 1 81 SER O 1 85 LEU H . . 1.800 2.033 1.847 2.066 0.266 13 0 "[ . 1 .]" 2
88 1 81 SER O 1 85 LEU N . . 2.700 2.923 2.718 2.955 0.255 14 0 "[ . 1 .]" 2
89 1 82 MET O 1 86 ARG H . . 1.800 1.887 1.851 1.946 0.146 14 0 "[ . 1 .]" 2
90 1 82 MET O 1 86 ARG N . . 2.700 2.742 2.730 2.749 0.049 10 0 "[ . 1 .]" 2
91 1 83 ASP O 1 87 GLN H . . 1.800 2.037 2.023 2.050 0.250 6 0 "[ . 1 .]" 2
92 1 83 ASP O 1 87 GLN N . . 2.700 3.008 2.998 3.028 0.328 7 0 "[ . 1 .]" 2
93 1 84 GLU O 1 88 ALA H . . 1.800 2.100 2.089 2.127 0.327 7 0 "[ . 1 .]" 2
94 1 84 GLU O 1 88 ALA N . . 2.700 2.983 2.970 3.012 0.312 14 0 "[ . 1 .]" 2
95 1 85 LEU O 1 89 ALA H . . 1.800 2.040 2.032 2.076 0.276 7 0 "[ . 1 .]" 2
96 1 85 LEU O 1 89 ALA N . . 2.700 2.916 2.908 2.947 0.247 7 0 "[ . 1 .]" 2
97 1 86 ARG O 1 90 GLU H . . 1.800 1.797 1.790 1.801 0.001 2 0 "[ . 1 .]" 2
98 1 86 ARG O 1 90 GLU N . . 2.700 2.723 2.721 2.726 0.026 13 0 "[ . 1 .]" 2
99 1 87 GLN O 1 91 SER H . . 1.800 1.834 1.827 1.859 0.059 7 0 "[ . 1 .]" 2
100 1 87 GLN O 1 91 SER N . . 2.700 2.751 2.737 2.778 0.078 7 0 "[ . 1 .]" 2
101 1 88 ALA O 1 92 MET H . . 1.800 2.093 2.080 2.104 0.304 12 0 "[ . 1 .]" 2
102 1 88 ALA O 1 92 MET N . . 2.700 3.017 3.007 3.030 0.330 14 0 "[ . 1 .]" 2
103 1 89 ALA O 1 93 LYS H . . 1.800 2.021 1.993 2.035 0.235 13 0 "[ . 1 .]" 2
104 1 89 ALA O 1 93 LYS N . . 2.700 2.915 2.887 2.961 0.261 12 0 "[ . 1 .]" 2
105 1 90 GLU O 1 94 ARG H . . 1.800 2.061 2.025 2.133 0.333 9 0 "[ . 1 .]" 2
106 1 90 GLU O 1 94 ARG N . . 2.700 2.731 2.672 2.823 0.123 1 0 "[ . 1 .]" 2
107 1 91 SER O 1 95 SER H . . 1.800 2.110 2.095 2.161 0.361 9 0 "[ . 1 .]" 2
108 1 91 SER O 1 95 SER N . . 2.700 2.964 2.940 3.022 0.322 10 0 "[ . 1 .]" 2
109 1 92 MET O 1 96 TYR H . . 1.800 2.102 1.909 2.240 0.440 11 0 "[ . 1 .]" 2
110 1 92 MET O 1 96 TYR N . . 2.700 2.805 2.708 2.959 0.259 9 0 "[ . 1 .]" 2
111 1 56 LEU O 1 60 GLN H . . 1.800 3.780 3.488 4.010 2.210 7 15 [******+***-****] 2
112 1 56 LEU O 1 60 GLN N . . 2.700 4.595 4.218 4.811 2.111 5 15 [****+****-*****] 2
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