NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386716 |
1lv9   |
5383 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lv9
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 983
_Distance_constraint_stats_list.Viol_count 1003
_Distance_constraint_stats_list.Viol_total 1448.297
_Distance_constraint_stats_list.Viol_max 1.685
_Distance_constraint_stats_list.Viol_rms 0.0808
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.1444
_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 7 VAL 0.675 0.238 10 0 "[ . 1]"
1 8 ARG 1.365 0.265 8 0 "[ . 1]"
1 9 CYS 0.717 0.106 3 0 "[ . 1]"
1 10 THR 1.521 0.265 8 0 "[ . 1]"
1 11 CYS 3.786 0.922 5 2 "[ + * 1]"
1 12 ILE 0.007 0.007 3 0 "[ . 1]"
1 13 SER 0.007 0.007 3 0 "[ . 1]"
1 14 ILE 10.270 1.085 9 5 "[ * ** *+1]"
1 15 SER 4.487 0.752 6 1 "[ .+ 1]"
1 16 ASN 0.261 0.083 9 0 "[ . 1]"
1 17 GLN 2.839 0.953 6 1 "[ .+ 1]"
1 18 PRO 4.659 0.367 3 0 "[ . 1]"
1 19 VAL 16.355 0.953 6 4 "[ -*+ *1]"
1 20 ASN 4.370 0.223 6 0 "[ . 1]"
1 21 PRO 17.224 1.429 7 8 "[* ***-+* *]"
1 23 SER 3.178 0.580 5 2 "[ -+ 1]"
1 24 LEU 16.898 0.987 7 5 "[*- . + **]"
1 25 GLU 8.547 1.085 9 3 "[*- . +1]"
1 26 LYS 4.354 1.137 2 2 "[-+ . 1]"
1 27 MLE 72.174 1.685 4 10 [***+*-****]
1 28 GLU 5.435 0.326 4 0 "[ . 1]"
1 29 ILE 3.334 0.472 2 0 "[ . 1]"
1 30 ILE 0.919 0.148 7 0 "[ . 1]"
1 31 PRO 1.039 0.133 8 0 "[ . 1]"
1 32 ALA 9.398 0.827 2 2 "[ + . -1]"
1 33 SER 0.309 0.090 10 0 "[ . 1]"
1 34 GLN 0.794 0.369 10 0 "[ . 1]"
1 35 PHE 0.798 0.369 10 0 "[ . 1]"
1 36 CYS 0.682 0.090 10 0 "[ . 1]"
1 37 PRO 3.566 0.398 1 0 "[ . 1]"
1 38 ARG 1.251 0.112 10 0 "[ . 1]"
1 39 VAL 5.557 0.509 9 2 "[ -. +1]"
1 40 GLU 2.486 0.183 8 0 "[ . 1]"
1 41 ILE 10.343 1.303 2 8 "[*+* **-* *]"
1 42 ILE 11.054 0.827 2 4 "[ + ** -1]"
1 43 ALA 10.885 1.056 3 6 "[ *+*-* * 1]"
1 44 THR 5.220 0.827 2 2 "[ + . -1]"
1 45 MET 0.348 0.148 7 0 "[ . 1]"
1 46 LYS 0.859 0.407 1 0 "[ . 1]"
1 47 LYS 4.341 0.792 7 2 "[ - . + 1]"
1 48 LYS 3.545 0.792 7 2 "[ - . + 1]"
1 49 GLY 0.490 0.090 4 0 "[ . 1]"
1 50 GLU 0.263 0.054 6 0 "[ . 1]"
1 51 LYS 0.263 0.118 10 0 "[ . 1]"
1 52 ARG 5.159 0.625 6 3 "[ *+ -1]"
1 53 CYS 4.310 0.661 5 2 "[ + * 1]"
1 54 LEU 4.578 0.667 6 2 "[ - .+ 1]"
1 55 ASN 2.837 0.472 2 0 "[ . 1]"
1 56 PRO 5.802 0.448 6 0 "[ . 1]"
1 57 GLU 1.061 0.122 10 0 "[ . 1]"
1 58 SER 1.928 0.191 8 0 "[ . 1]"
1 59 LYS 3.748 0.606 5 4 "[** + - 1]"
1 60 ALA 0.105 0.037 10 0 "[ . 1]"
1 61 ILE 18.563 1.085 9 4 "[ * ** +1]"
1 62 LYS 0.855 0.295 2 0 "[ . 1]"
1 63 ASN 0.291 0.081 5 0 "[ . 1]"
1 64 LEU 13.473 1.685 4 2 "[ +. *1]"
1 65 LEU 14.580 0.827 2 2 "[ + . -1]"
1 66 LYS 1.929 0.191 4 0 "[ . 1]"
1 67 ALA 2.293 0.262 8 0 "[ . 1]"
1 68 VAL 5.990 0.440 9 0 "[ . 1]"
1 69 SER 0.615 0.073 5 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 9 CYS HA 1 10 THR H 2.900 . 4.200 2.815 2.608 3.537 . 0 0 "[ . 1]" 1
2 1 10 THR H 1 10 THR HB 4.600 . 5.500 3.716 3.542 3.800 . 0 0 "[ . 1]" 1
3 1 9 CYS QB 1 10 THR H 4.500 . 5.500 1.957 1.894 2.087 0.106 3 0 "[ . 1]" 1
4 1 10 THR H 1 36 CYS QB 5.000 . 5.500 4.296 4.041 5.009 . 0 0 "[ . 1]" 1
5 1 43 ALA H 1 51 LYS HA 5.000 . 5.500 5.525 5.491 5.618 0.118 10 0 "[ . 1]" 1
6 1 27 MLE HA 1 42 ILE H 5.000 . 5.500 4.212 4.079 4.558 . 0 0 "[ . 1]" 1
7 1 27 MLE HA 1 44 THR H 5.000 . 5.500 3.111 2.959 3.229 . 0 0 "[ . 1]" 1
8 1 27 MLE HA 1 28 GLU H 4.400 . 5.500 2.169 2.141 2.252 . 0 0 "[ . 1]" 1
9 1 44 THR H 1 51 LYS HA 5.500 . 5.500 4.665 4.425 4.991 . 0 0 "[ . 1]" 1
10 1 8 ARG H 1 36 CYS HA 5.000 . 5.500 4.049 3.366 4.866 . 0 0 "[ . 1]" 1
11 1 26 LYS HA 1 44 THR H 5.500 . 5.500 4.558 4.300 4.826 . 0 0 "[ . 1]" 1
12 1 30 ILE H 1 41 ILE HA 5.500 . 5.500 3.648 3.500 3.733 . 0 0 "[ . 1]" 1
13 1 29 ILE HA 1 30 ILE H 5.200 . 5.500 2.157 2.139 2.176 . 0 0 "[ . 1]" 1
14 1 25 GLU H 1 45 MET HA 5.500 . 5.500 3.024 2.496 3.277 . 0 0 "[ . 1]" 1
15 1 43 ALA HA 1 52 ARG H 5.000 . 5.500 4.649 4.576 4.737 . 0 0 "[ . 1]" 1
16 1 15 SER H 1 54 LEU HA 4.700 . 5.500 2.413 1.880 3.005 0.020 10 0 "[ . 1]" 1
17 1 54 LEU HA 1 55 ASN H 5.200 . 5.500 2.348 2.316 2.384 . 0 0 "[ . 1]" 1
18 1 45 MET HA 1 46 LYS H 4.400 . 5.500 2.124 2.093 2.179 . 0 0 "[ . 1]" 1
19 1 45 MET HA 1 47 LYS H 5.100 . 5.500 5.219 5.055 5.528 0.028 7 0 "[ . 1]" 1
20 1 42 ILE HA 1 43 ALA H 4.300 . 5.500 2.228 2.157 2.267 . 0 0 "[ . 1]" 1
21 1 9 CYS HA 1 11 CYS H 5.500 . 5.500 5.031 4.378 5.526 0.026 8 0 "[ . 1]" 1
22 1 40 GLU HA 1 41 ILE H 5.500 . 5.500 2.194 2.165 2.219 . 0 0 "[ . 1]" 1
23 1 44 THR HA 1 45 MET H 4.100 . 5.500 2.164 2.145 2.188 . 0 0 "[ . 1]" 1
24 1 41 ILE HA 1 42 ILE H 4.500 . 5.500 2.097 2.073 2.108 . 0 0 "[ . 1]" 1
25 1 44 THR HA 1 52 ARG H 5.000 . 5.500 3.134 3.040 3.188 . 0 0 "[ . 1]" 1
26 1 42 ILE HA 1 54 LEU H 5.500 . 5.500 3.946 3.479 4.223 . 0 0 "[ . 1]" 1
27 1 15 SER HA 1 16 ASN H 5.000 . 5.500 2.791 2.149 3.530 . 0 0 "[ . 1]" 1
28 1 52 ARG HA 1 53 CYS H 5.000 . 5.500 2.346 2.240 2.382 . 0 0 "[ . 1]" 1
29 1 29 ILE HA 1 42 ILE H 5.500 . 5.500 4.214 4.092 4.283 . 0 0 "[ . 1]" 1
30 1 58 SER HA 1 59 LYS H 5.500 . 5.500 2.781 2.758 2.832 . 0 0 "[ . 1]" 1
31 1 24 LEU HA 1 25 GLU H 4.200 . 5.500 2.226 2.174 2.255 . 0 0 "[ . 1]" 1
32 1 24 LEU HA 1 45 MET H 5.500 . 5.500 4.947 4.649 5.112 . 0 0 "[ . 1]" 1
33 1 30 ILE H 1 39 VAL HA 5.500 . 5.500 4.165 4.002 4.287 . 0 0 "[ . 1]" 1
34 1 30 ILE H 1 31 PRO HD2 5.500 . 5.500 5.144 5.105 5.185 . 0 0 "[ . 1]" 1
35 1 30 ILE H 1 31 PRO HD3 5.000 . 5.500 4.744 4.709 4.773 . 0 0 "[ . 1]" 1
36 1 10 THR HA 1 11 CYS H 5.400 . 5.500 2.880 2.312 3.571 . 0 0 "[ . 1]" 1
37 1 45 MET H 1 50 GLU HA 5.000 . 5.500 4.430 4.342 4.554 . 0 0 "[ . 1]" 1
38 1 10 THR HB 1 11 CYS H 5.000 . 5.500 3.967 2.454 4.376 . 0 0 "[ . 1]" 1
39 1 25 GLU H 1 46 LYS HA 5.500 . 5.500 5.443 5.275 5.510 0.010 9 0 "[ . 1]" 1
40 1 25 GLU H 1 44 THR HB 5.000 . 5.500 4.192 4.068 4.362 . 0 0 "[ . 1]" 1
41 1 9 CYS QB 1 11 CYS H 5.500 . 5.500 3.143 2.175 3.736 . 0 0 "[ . 1]" 1
42 1 44 THR HB 1 45 MET H 5.000 . 5.500 4.252 4.182 4.321 . 0 0 "[ . 1]" 1
43 1 45 MET H 1 49 GLY QA 5.500 . 5.500 4.420 4.224 4.606 . 0 0 "[ . 1]" 1
44 1 58 SER QB 1 59 LYS H 5.000 . 5.500 1.961 1.895 2.180 0.005 3 0 "[ . 1]" 1
45 1 59 LYS H 1 60 ALA HA 5.000 . 5.500 5.345 5.259 5.412 . 0 0 "[ . 1]" 1
46 1 15 SER QB 1 16 ASN H 5.300 . 5.500 3.138 1.933 4.035 . 0 0 "[ . 1]" 1
47 1 53 CYS HB3 1 54 LEU H 4.900 . 5.500 4.267 3.921 4.484 . 0 0 "[ . 1]" 1
48 1 33 SER H 1 36 CYS QB 5.000 . 5.500 4.715 4.102 5.017 . 0 0 "[ . 1]" 1
49 1 16 ASN H 1 16 ASN QB 5.500 . 5.500 2.894 2.541 3.227 . 0 0 "[ . 1]" 1
50 1 16 ASN H 1 17 GLN QG 4.700 . 5.500 4.615 4.184 5.046 . 0 0 "[ . 1]" 1
51 1 45 MET QG 1 52 ARG H 5.000 . 5.500 4.599 4.321 4.919 . 0 0 "[ . 1]" 1
52 1 40 GLU QG 1 41 ILE H 5.500 . 5.500 3.961 3.519 4.247 . 0 0 "[ . 1]" 1
53 1 30 ILE H 1 40 GLU HB2 5.000 . 5.500 3.328 3.189 3.448 . 0 0 "[ . 1]" 1
54 1 25 GLU H 1 25 GLU QG 5.000 . 5.500 4.235 4.191 4.300 . 0 0 "[ . 1]" 1
55 1 28 GLU HB2 1 42 ILE H 5.500 . 5.500 4.635 4.428 4.801 . 0 0 "[ . 1]" 1
56 1 45 MET H 1 50 GLU QB 5.000 . 5.500 3.307 2.958 4.250 . 0 0 "[ . 1]" 1
57 1 42 ILE HB 1 43 ALA H 5.000 . 5.500 4.360 4.285 4.435 . 0 0 "[ . 1]" 1
58 1 30 ILE H 1 40 GLU HB3 5.000 . 5.500 3.600 3.292 3.835 . 0 0 "[ . 1]" 1
59 1 29 ILE HB 1 30 ILE H 5.000 . 5.500 2.935 2.821 3.060 . 0 0 "[ . 1]" 1
60 1 43 ALA H 1 54 LEU HG 5.000 . 5.500 3.256 2.636 3.820 . 0 0 "[ . 1]" 1
61 1 43 ALA H 1 52 ARG HB3 5.000 . 5.500 4.376 4.251 4.559 . 0 0 "[ . 1]" 1
62 1 25 GLU QB 1 45 MET H 5.000 . 5.500 4.141 4.004 4.248 . 0 0 "[ . 1]" 1
63 1 30 ILE QG 1 42 ILE H 5.500 . 5.500 4.341 4.109 4.613 . 0 0 "[ . 1]" 1
64 1 59 LYS H 1 60 ALA MB 5.000 . 5.500 4.323 4.192 4.465 . 0 0 "[ . 1]" 1
65 1 30 ILE H 1 30 ILE MG 5.000 . 5.500 3.928 3.893 3.948 . 0 0 "[ . 1]" 1
66 1 29 ILE QG 1 30 ILE H 5.000 . 5.500 4.289 4.226 4.369 . 0 0 "[ . 1]" 1
67 1 30 ILE H 1 64 LEU MD2 5.000 . 5.500 5.211 4.939 5.409 . 0 0 "[ . 1]" 1
68 1 42 ILE QG 1 43 ALA H 5.000 . 5.500 4.604 4.421 4.849 . 0 0 "[ . 1]" 1
69 1 25 GLU H 1 27 MLE HB2 5.000 . 5.500 5.224 4.878 5.401 . 0 0 "[ . 1]" 1
70 1 25 GLU H 1 44 THR MG 5.000 . 5.500 4.450 4.135 4.788 . 0 0 "[ . 1]" 1
71 1 25 GLU H 1 64 LEU MD1 5.000 . 5.500 5.770 5.699 5.840 0.340 5 0 "[ . 1]" 1
72 1 10 THR MG 1 11 CYS H 5.000 . 5.500 4.199 3.688 4.417 . 0 0 "[ . 1]" 1
73 1 41 ILE H 1 64 LEU QD 5.000 . 5.500 4.685 4.550 5.033 . 0 0 "[ . 1]" 1
74 1 41 ILE H 1 41 ILE MG 5.000 . 5.500 2.756 2.166 3.900 . 0 0 "[ . 1]" 1
75 1 41 ILE MG 1 42 ILE H 5.000 . 5.500 3.425 2.173 4.030 . 0 0 "[ . 1]" 1
76 1 42 ILE H 1 64 LEU QD 5.000 . 5.500 5.169 4.843 5.344 . 0 0 "[ . 1]" 1
77 1 41 ILE QG 1 42 ILE H 5.000 . 5.500 3.165 1.964 4.674 . 0 0 "[ . 1]" 1
78 1 43 ALA MB 1 52 ARG H 5.500 . 5.500 3.398 3.102 3.625 . 0 0 "[ . 1]" 1
79 1 27 MLE HD11 1 54 LEU H 5.000 . 5.500 5.442 4.564 6.167 0.667 6 2 "[ - .+ 1]" 1
80 1 41 ILE MG 1 54 LEU H 5.000 . 5.500 1.985 1.801 2.943 0.099 10 0 "[ . 1]" 1
81 1 12 ILE H 1 12 ILE MG 5.000 . 5.500 3.612 2.114 3.848 . 0 0 "[ . 1]" 1
82 1 32 ALA MB 1 34 GLN H 5.000 . 5.500 4.890 4.580 5.092 . 0 0 "[ . 1]" 1
83 1 32 ALA MB 1 33 SER H 5.000 . 5.500 2.907 2.463 3.109 . 0 0 "[ . 1]" 1
84 1 43 ALA MB 1 54 LEU H 5.000 . 5.500 3.012 2.663 3.740 . 0 0 "[ . 1]" 1
85 1 44 THR H 1 64 LEU QD 5.000 . 5.500 5.443 5.000 5.624 0.124 8 0 "[ . 1]" 1
86 1 29 ILE H 1 29 ILE MD 5.000 . 5.500 3.597 3.390 3.707 . 0 0 "[ . 1]" 1
87 1 29 ILE MD 1 40 GLU H 5.000 . 5.500 4.760 4.553 4.982 . 0 0 "[ . 1]" 1
88 1 29 ILE H 1 29 ILE MG 5.000 . 5.500 2.287 2.149 2.412 . 0 0 "[ . 1]" 1
89 1 29 ILE H 1 29 ILE HG13 5.000 . 5.500 2.104 1.929 2.269 . 0 0 "[ . 1]" 1
90 1 65 LEU H 1 68 VAL QG 5.000 . 5.500 3.888 3.755 4.195 . 0 0 "[ . 1]" 1
91 1 39 VAL QG 1 40 GLU H 5.500 . 5.500 2.587 2.400 2.772 . 0 0 "[ . 1]" 1
92 1 44 THR H 1 44 THR MG 5.000 . 5.500 3.842 3.771 3.984 . 0 0 "[ . 1]" 1
93 1 7 VAL QG 1 8 ARG H 5.000 . 5.500 2.973 1.969 3.656 . 0 0 "[ . 1]" 1
94 1 27 MLE HB2 1 28 GLU H 5.300 . 5.500 4.083 3.972 4.235 . 0 0 "[ . 1]" 1
95 1 43 ALA MB 1 44 THR H 5.000 . 5.500 3.015 2.473 3.277 . 0 0 "[ . 1]" 1
96 1 54 LEU H 1 54 LEU HG 5.100 . 5.500 2.216 2.072 2.713 . 0 0 "[ . 1]" 1
97 1 34 GLN H 1 34 GLN QG 5.000 . 5.500 2.739 1.973 4.038 . 0 0 "[ . 1]" 1
98 1 16 ASN H 1 17 GLN HB3 5.000 . 5.500 4.108 3.359 4.921 . 0 0 "[ . 1]" 1
99 1 41 ILE HB 1 54 LEU H 5.000 . 5.500 4.063 2.118 4.607 . 0 0 "[ . 1]" 1
100 1 25 GLU QB 1 48 LYS H 5.000 . 5.500 5.570 5.513 5.602 0.102 3 0 "[ . 1]" 1
101 1 7 VAL HB 1 8 ARG H 5.500 . 5.500 3.607 2.199 4.201 . 0 0 "[ . 1]" 1
102 1 8 ARG H 1 8 ARG HG3 5.000 . 5.500 3.760 2.628 4.511 . 0 0 "[ . 1]" 1
103 1 8 ARG H 1 8 ARG HG2 5.000 . 5.500 3.943 2.475 5.053 . 0 0 "[ . 1]" 1
104 1 20 ASN H 1 60 ALA MB 5.500 . 5.500 4.276 3.959 5.537 0.037 10 0 "[ . 1]" 1
105 1 26 LYS HB2 1 44 THR H 5.000 . 5.500 3.354 2.965 3.817 . 0 0 "[ . 1]" 1
106 1 19 VAL HB 1 20 ASN H 5.000 . 5.500 4.314 4.234 4.565 . 0 0 "[ . 1]" 1
107 1 28 GLU H 1 28 GLU QG 5.000 . 5.500 4.012 3.957 4.080 . 0 0 "[ . 1]" 1
108 1 55 ASN H 1 56 PRO HG2 4.700 . 5.500 5.586 5.518 5.612 0.112 7 0 "[ . 1]" 1
109 1 55 ASN H 1 61 ILE HG13 5.300 . 5.500 4.285 4.085 4.500 . 0 0 "[ . 1]" 1
110 1 30 ILE QG 1 40 GLU H 5.400 . 5.500 3.787 3.587 3.926 . 0 0 "[ . 1]" 1
111 1 28 GLU HB2 1 29 ILE H 5.000 . 5.500 4.431 4.372 4.526 . 0 0 "[ . 1]" 1
112 1 28 GLU HB3 1 29 ILE H 4.700 . 5.500 4.446 4.393 4.497 . 0 0 "[ . 1]" 1
113 1 30 ILE HB 1 40 GLU H 5.000 . 5.500 3.512 3.367 3.612 . 0 0 "[ . 1]" 1
114 1 28 GLU QG 1 29 ILE H 5.000 . 5.500 3.560 3.173 3.967 . 0 0 "[ . 1]" 1
115 1 20 ASN H 1 20 ASN QB 4.700 . 5.500 2.510 2.051 3.340 . 0 0 "[ . 1]" 1
116 1 11 CYS HB2 1 12 ILE H 4.900 . 5.500 4.198 2.598 4.536 . 0 0 "[ . 1]" 1
117 1 33 SER H 1 34 GLN HA 5.500 . 5.500 4.688 4.510 4.956 . 0 0 "[ . 1]" 1
118 1 53 CYS HB2 1 54 LEU H 5.000 . 5.500 4.422 4.052 4.624 . 0 0 "[ . 1]" 1
119 1 32 ALA HA 1 34 GLN H 5.000 . 5.500 4.289 3.919 4.852 . 0 0 "[ . 1]" 1
120 1 11 CYS HA 1 12 ILE H 5.000 . 5.500 2.291 2.135 2.788 . 0 0 "[ . 1]" 1
121 1 13 SER HA 1 14 ILE H 5.400 . 5.500 2.355 2.139 3.529 . 0 0 "[ . 1]" 1
122 1 28 GLU HA 1 29 ILE H 5.500 . 5.500 2.176 2.150 2.208 . 0 0 "[ . 1]" 1
123 1 39 VAL HA 1 40 GLU H 4.500 . 5.500 2.155 2.132 2.194 . 0 0 "[ . 1]" 1
124 1 50 GLU HA 1 51 LYS H 4.400 . 5.500 2.268 2.138 2.373 . 0 0 "[ . 1]" 1
125 1 14 ILE HA 1 15 SER H 4.500 . 5.500 2.583 2.293 4.083 . 0 0 "[ . 1]" 1
126 1 15 SER H 1 15 SER QB 5.000 . 5.500 2.337 2.206 2.472 . 0 0 "[ . 1]" 1
127 1 48 LYS H 1 49 GLY QA 5.000 . 5.500 3.702 3.674 3.763 . 0 0 "[ . 1]" 1
128 1 13 SER QB 1 14 ILE H 5.000 . 5.500 3.305 2.563 4.009 . 0 0 "[ . 1]" 1
129 1 55 ASN H 1 56 PRO QD 5.000 . 5.500 2.883 2.790 2.920 . 0 0 "[ . 1]" 1
130 1 33 SER H 1 37 PRO HA 5.500 . 5.500 4.269 3.999 4.561 . 0 0 "[ . 1]" 1
131 1 28 GLU H 1 41 ILE HA 5.500 . 5.500 4.337 4.143 4.540 . 0 0 "[ . 1]" 1
132 1 44 THR HA 1 51 LYS H 5.100 . 5.500 4.525 4.243 4.788 . 0 0 "[ . 1]" 1
133 1 29 ILE H 1 41 ILE HA 5.500 . 5.500 4.750 4.541 4.928 . 0 0 "[ . 1]" 1
134 1 26 LYS H 1 27 MLE HA 5.000 . 5.500 4.669 4.598 4.760 . 0 0 "[ . 1]" 1
135 1 9 CYS H 1 36 CYS HA 5.500 . 5.500 4.697 3.425 5.416 . 0 0 "[ . 1]" 1
136 1 36 CYS HA 1 38 ARG H 5.000 . 5.500 4.731 4.516 5.007 . 0 0 "[ . 1]" 1
137 1 35 PHE H 1 36 CYS HA 5.500 . 5.500 4.727 4.499 5.120 . 0 0 "[ . 1]" 1
138 1 26 LYS H 1 43 ALA HA 5.500 . 5.500 4.704 4.438 4.822 . 0 0 "[ . 1]" 1
139 1 16 ASN HA 1 17 GLN H 5.000 . 5.500 2.981 2.878 3.255 . 0 0 "[ . 1]" 1
140 1 37 PRO HA 1 38 ARG H 5.400 . 5.500 2.499 2.364 2.598 . 0 0 "[ . 1]" 1
141 1 26 LYS H 1 45 MET HA 5.100 . 5.500 4.478 4.106 4.777 . 0 0 "[ . 1]" 1
142 1 16 ASN HA 1 20 ASN HD21 5.500 . 5.500 2.999 2.547 3.332 . 0 0 "[ . 1]" 1
143 1 26 LYS H 1 44 THR HA 5.200 . 5.500 4.211 4.102 4.279 . 0 0 "[ . 1]" 1
144 1 38 ARG HA 1 39 VAL H 3.500 . 5.200 2.844 2.744 2.935 . 0 0 "[ . 1]" 1
145 1 32 ALA H 1 38 ARG HA 4.100 . 5.500 5.128 4.938 5.362 . 0 0 "[ . 1]" 1
146 1 8 ARG HA 1 9 CYS H 5.000 . 5.500 2.361 2.147 2.665 . 0 0 "[ . 1]" 1
147 1 55 ASN HA 1 57 GLU H 5.000 . 5.500 5.395 5.176 5.519 0.019 4 0 "[ . 1]" 1
148 1 15 SER HA 1 17 GLN H 5.000 . 5.500 3.432 2.991 3.689 . 0 0 "[ . 1]" 1
149 1 11 CYS HA 1 13 SER H 5.000 . 5.500 3.938 3.236 5.442 . 0 0 "[ . 1]" 1
150 1 63 ASN HA 1 66 LYS H 5.000 . 5.500 3.221 3.062 3.324 . 0 0 "[ . 1]" 1
151 1 57 GLU H 1 58 SER HA 5.000 . 5.500 4.653 4.589 4.706 . 0 0 "[ . 1]" 1
152 1 63 ASN HA 1 64 LEU H 5.000 . 5.500 3.479 3.444 3.524 . 0 0 "[ . 1]" 1
153 1 24 LEU HA 1 26 LYS H 5.000 . 5.500 4.716 4.584 4.804 . 0 0 "[ . 1]" 1
154 1 63 ASN HA 1 67 ALA H 5.000 . 5.500 3.042 2.874 3.268 . 0 0 "[ . 1]" 1
155 1 18 PRO HA 1 19 VAL H 5.000 . 5.500 3.513 3.472 3.525 . 0 0 "[ . 1]" 1
156 1 23 SER HA 1 47 LYS H 5.000 . 5.500 4.769 4.628 4.989 . 0 0 "[ . 1]" 1
157 1 23 SER HA 1 46 LYS H 5.000 . 5.500 3.513 3.437 3.624 . 0 0 "[ . 1]" 1
158 1 24 LEU HA 1 46 LYS H 5.000 . 5.500 2.749 2.639 2.838 . 0 0 "[ . 1]" 1
159 1 67 ALA HA 1 68 VAL H 5.000 . 5.500 3.458 3.418 3.529 . 0 0 "[ . 1]" 1
160 1 60 ALA HA 1 63 ASN H 5.000 . 5.500 3.159 3.067 3.209 . 0 0 "[ . 1]" 1
161 1 21 PRO QD 1 63 ASN H 5.500 . 5.500 4.341 4.087 4.568 . 0 0 "[ . 1]" 1
162 1 65 LEU HA 1 68 VAL H 4.800 . 5.500 3.671 3.460 3.975 . 0 0 "[ . 1]" 1
163 1 62 LYS HA 1 63 ASN H 4.800 . 5.500 3.477 3.473 3.485 . 0 0 "[ . 1]" 1
164 1 58 SER QB 1 60 ALA H 5.500 . 5.500 3.639 3.500 3.749 . 0 0 "[ . 1]" 1
165 1 58 SER QB 1 62 LYS H 5.500 . 5.500 4.323 4.224 4.383 . 0 0 "[ . 1]" 1
166 1 46 LYS HA 1 47 LYS H 4.900 . 5.500 2.100 2.086 2.117 . 0 0 "[ . 1]" 1
167 1 9 CYS H 1 9 CYS QB 4.700 . 5.500 2.725 2.102 3.158 . 0 0 "[ . 1]" 1
168 1 37 PRO QD 1 38 ARG H 4.500 . 5.500 4.296 4.066 4.490 . 0 0 "[ . 1]" 1
169 1 13 SER H 1 13 SER QB 5.000 . 5.500 2.581 2.254 3.087 . 0 0 "[ . 1]" 1
170 1 65 LEU HA 1 69 SER H 4.900 . 5.500 3.850 3.561 3.991 . 0 0 "[ . 1]" 1
171 1 69 SER H 1 69 SER QB 4.900 . 5.500 2.234 2.159 2.309 . 0 0 "[ . 1]" 1
172 1 67 ALA HA 1 69 SER H 5.000 . 5.500 4.361 4.131 4.702 . 0 0 "[ . 1]" 1
173 1 32 ALA HA 1 38 ARG H 5.000 . 5.500 4.407 4.325 4.445 . 0 0 "[ . 1]" 1
174 1 65 LEU HA 1 67 ALA H 4.700 . 5.500 4.763 4.523 5.189 . 0 0 "[ . 1]" 1
175 1 49 GLY H 1 49 GLY QA 4.300 . 5.500 2.186 2.184 2.189 . 0 0 "[ . 1]" 1
176 1 26 LYS H 1 44 THR HB 4.700 . 5.500 1.924 1.898 1.990 0.002 6 0 "[ . 1]" 1
177 1 67 ALA H 1 69 SER QB 5.500 . 5.500 5.205 4.865 5.547 0.047 5 0 "[ . 1]" 1
178 1 48 LYS HA 1 49 GLY H 5.100 . 5.500 3.009 2.952 3.137 . 0 0 "[ . 1]" 1
179 1 49 GLY H 1 50 GLU HA 5.000 . 5.500 5.495 5.399 5.539 0.039 8 0 "[ . 1]" 1
180 1 9 CYS H 1 36 CYS QB 5.000 . 5.500 3.288 2.332 4.150 . 0 0 "[ . 1]" 1
181 1 36 CYS QB 1 38 ARG H 5.500 . 5.500 3.602 3.226 4.114 . 0 0 "[ . 1]" 1
182 1 11 CYS HB3 1 13 SER H 5.000 . 5.500 3.481 2.835 4.119 . 0 0 "[ . 1]" 1
183 1 16 ASN QB 1 17 GLN H 5.100 . 5.500 3.964 3.785 4.037 . 0 0 "[ . 1]" 1
184 1 20 ASN QB 1 23 SER H 5.500 . 5.500 4.482 4.185 4.617 . 0 0 "[ . 1]" 1
185 1 35 PHE H 1 35 PHE QB 5.000 . 5.500 2.397 2.099 2.678 . 0 0 "[ . 1]" 1
186 1 45 MET QG 1 46 LYS H 5.000 . 5.500 4.310 3.801 4.763 . 0 0 "[ . 1]" 1
187 1 45 MET HB3 1 47 LYS H 5.500 . 5.500 4.436 4.033 4.881 . 0 0 "[ . 1]" 1
188 1 67 ALA H 1 68 VAL HB 5.500 . 5.500 4.562 4.390 4.627 . 0 0 "[ . 1]" 1
189 1 25 GLU QG 1 26 LYS H 5.000 . 5.500 3.729 3.363 3.958 . 0 0 "[ . 1]" 1
190 1 45 MET HB2 1 46 LYS H 5.000 . 5.500 4.182 3.719 4.518 . 0 0 "[ . 1]" 1
191 1 39 VAL H 1 56 PRO HG3 5.000 . 5.500 4.809 4.720 5.006 . 0 0 "[ . 1]" 1
192 1 64 LEU HB3 1 65 LEU H 5.000 . 5.500 1.913 1.881 1.952 0.019 9 0 "[ . 1]" 1
193 1 8 ARG QB 1 9 CYS H 5.500 . 5.500 2.776 1.929 3.741 . 0 0 "[ . 1]" 1
194 1 8 ARG HG3 1 9 CYS H 5.000 . 5.500 4.306 3.244 5.312 . 0 0 "[ . 1]" 1
195 1 67 ALA MB 1 68 VAL H 5.500 . 5.500 2.823 2.424 3.023 . 0 0 "[ . 1]" 1
196 1 23 SER H 1 47 LYS QB 5.000 . 5.500 4.214 4.070 4.397 . 0 0 "[ . 1]" 1
197 1 19 VAL HB 1 23 SER H 5.000 . 5.500 4.861 2.805 5.591 0.091 6 0 "[ . 1]" 1
198 1 47 LYS H 1 47 LYS QB 5.500 . 5.500 3.033 2.995 3.074 . 0 0 "[ . 1]" 1
199 1 61 ILE HG13 1 62 LYS H 5.000 . 5.500 5.220 5.109 5.304 . 0 0 "[ . 1]" 1
200 1 64 LEU HG 1 65 LEU H 5.000 . 5.500 3.585 3.489 3.675 . 0 0 "[ . 1]" 1
201 1 66 LYS HB3 1 69 SER H 5.000 . 5.500 5.520 5.399 5.550 0.050 4 0 "[ . 1]" 1
202 1 67 ALA MB 1 69 SER H 5.000 . 5.500 4.644 4.556 4.763 . 0 0 "[ . 1]" 1
203 1 67 ALA H 1 67 ALA MB 4.600 . 5.500 2.213 2.159 2.265 . 0 0 "[ . 1]" 1
204 1 64 LEU H 1 64 LEU HG 5.000 . 5.500 4.474 4.454 4.508 . 0 0 "[ . 1]" 1
205 1 34 GLN HB3 1 35 PHE H 5.000 . 5.500 3.533 2.006 4.230 . 0 0 "[ . 1]" 1
206 1 34 GLN QG 1 35 PHE H 5.000 . 5.500 2.405 2.024 3.528 . 0 0 "[ . 1]" 1
207 1 34 GLN HB2 1 35 PHE H 5.000 . 5.500 3.822 3.511 4.113 . 0 0 "[ . 1]" 1
208 1 25 GLU HB3 1 26 LYS H 5.500 . 5.500 1.872 1.856 1.907 . 0 0 "[ . 1]" 1
209 1 66 LYS HB3 1 67 ALA H 4.700 . 5.500 2.562 2.271 2.977 . 0 0 "[ . 1]" 1
210 1 64 LEU H 1 64 LEU QB 5.000 . 5.500 2.320 2.284 2.365 . 0 0 "[ . 1]" 1
211 1 24 LEU QD 1 46 LYS H 5.000 . 5.500 4.368 3.945 4.570 . 0 0 "[ . 1]" 1
212 1 47 LYS H 1 47 LYS QG 5.000 . 5.500 4.353 3.914 4.542 . 0 0 "[ . 1]" 1
213 1 24 LEU QD 1 68 VAL H 5.500 . 5.500 3.146 2.328 3.677 . 0 0 "[ . 1]" 1
214 1 60 ALA MB 1 63 ASN H 5.500 . 5.500 4.044 3.954 4.126 . 0 0 "[ . 1]" 1
215 1 48 LYS QG 1 49 GLY H 5.500 . 5.500 4.376 3.899 4.534 . 0 0 "[ . 1]" 1
216 1 26 LYS H 1 26 LYS HG2 5.500 . 5.500 2.276 2.068 3.186 . 0 0 "[ . 1]" 1
217 1 26 LYS H 1 43 ALA MB 5.000 . 5.500 5.167 4.944 5.379 . 0 0 "[ . 1]" 1
218 1 12 ILE QG 1 13 SER H 5.500 . 5.500 4.014 3.792 4.229 . 0 0 "[ . 1]" 1
219 1 44 THR MG 1 46 LYS H 5.000 . 5.500 4.718 4.455 5.193 . 0 0 "[ . 1]" 1
220 1 32 ALA MB 1 39 VAL H 5.000 . 5.500 4.123 3.863 4.398 . 0 0 "[ . 1]" 1
221 1 39 VAL H 1 39 VAL MG1 5.000 . 5.500 3.844 3.803 3.874 . 0 0 "[ . 1]" 1
222 1 32 ALA H 1 32 ALA MB 5.000 . 5.500 2.257 2.181 2.323 . 0 0 "[ . 1]" 1
223 1 68 VAL H 1 68 VAL QG 5.000 . 5.500 2.304 2.118 2.620 . 0 0 "[ . 1]" 1
224 1 7 VAL H 1 7 VAL QG 5.500 . 5.500 2.111 1.879 2.509 0.021 6 0 "[ . 1]" 1
225 1 17 GLN H 1 19 VAL MG2 5.000 . 5.500 3.885 3.163 5.491 . 0 0 "[ . 1]" 1
226 1 44 THR MG 1 49 GLY H 5.500 . 5.500 4.985 4.883 5.095 . 0 0 "[ . 1]" 1
227 1 67 ALA H 1 68 VAL QG 5.000 . 5.500 4.067 3.847 4.451 . 0 0 "[ . 1]" 1
228 1 64 LEU QD 1 67 ALA H 5.500 . 5.500 5.557 5.480 5.643 0.143 8 0 "[ . 1]" 1
229 1 64 LEU H 1 64 LEU QD 5.000 . 5.500 3.763 3.734 3.799 . 0 0 "[ . 1]" 1
230 1 57 GLU H 1 61 ILE MG 5.000 . 5.500 2.057 1.925 2.309 . 0 0 "[ . 1]" 1
231 1 24 LEU H 1 27 MLE HD11 4.700 . 5.500 5.936 5.386 6.487 0.987 7 5 "[** . + *-]" 1
232 1 58 SER H 1 61 ILE MG 4.000 . 4.500 1.799 1.750 1.905 . 0 0 "[ . 1]" 1
233 1 65 LEU QD 1 66 LYS H 5.100 . 5.500 3.891 2.985 4.324 . 0 0 "[ . 1]" 1
234 1 29 ILE MG 1 66 LYS H 5.000 . 5.500 5.498 5.384 5.568 0.068 1 0 "[ . 1]" 1
235 1 66 LYS H 1 68 VAL QG 5.000 . 5.500 4.047 3.792 4.500 . 0 0 "[ . 1]" 1
236 1 7 VAL QG 1 35 PHE QD 3.700 . 5.500 3.795 3.427 4.089 . 0 0 "[ . 1]" 1
237 1 44 THR MG 1 50 GLU H 5.500 . 5.500 3.389 3.238 3.569 . 0 0 "[ . 1]" 1
238 1 10 THR MG 1 35 PHE QE 5.500 . 5.500 4.540 3.397 5.398 . 0 0 "[ . 1]" 1
239 1 24 LEU H 1 24 LEU QD 5.000 . 5.500 3.860 3.777 3.909 . 0 0 "[ . 1]" 1
240 1 48 LYS QG 1 50 GLU H 5.500 . 5.500 5.005 3.815 5.327 . 0 0 "[ . 1]" 1
241 1 60 ALA MB 1 61 ILE H 5.000 . 5.500 2.877 2.761 3.004 . 0 0 "[ . 1]" 1
242 1 58 SER H 1 61 ILE HG13 5.000 . 5.500 3.325 2.110 3.882 . 0 0 "[ . 1]" 1
243 1 50 GLU H 1 50 GLU QB 5.000 . 5.500 2.549 2.472 2.992 . 0 0 "[ . 1]" 1
244 1 59 LYS HB2 1 61 ILE H 5.100 . 5.500 4.536 4.070 5.177 . 0 0 "[ . 1]" 1
245 1 24 LEU H 1 47 LYS QB 5.500 . 5.500 3.743 3.646 3.962 . 0 0 "[ . 1]" 1
246 1 64 LEU QB 1 66 LYS H 5.000 . 5.500 4.150 4.093 4.275 . 0 0 "[ . 1]" 1
247 1 56 PRO QB 1 57 GLU H 5.000 . 5.500 3.778 3.730 3.853 . 0 0 "[ . 1]" 1
248 1 18 PRO HB2 1 19 VAL H 5.000 . 5.500 2.834 2.697 2.923 . 0 0 "[ . 1]" 1
249 1 18 PRO HB3 1 19 VAL H 5.500 . 5.500 4.087 3.993 4.141 . 0 0 "[ . 1]" 1
250 1 45 MET HB2 1 50 GLU H 5.000 . 5.500 2.438 2.126 2.722 . 0 0 "[ . 1]" 1
251 1 57 GLU HB3 1 58 SER H 5.000 . 5.500 4.525 4.243 4.672 . 0 0 "[ . 1]" 1
252 1 45 MET HB3 1 50 GLU H 5.500 . 5.500 3.861 3.048 4.406 . 0 0 "[ . 1]" 1
253 1 57 GLU H 1 57 GLU QG 5.000 . 5.500 1.959 1.860 2.071 0.040 9 0 "[ . 1]" 1
254 1 45 MET QG 1 50 GLU H 5.500 . 5.500 3.958 3.370 4.497 . 0 0 "[ . 1]" 1
255 1 35 PHE QB 1 36 CYS H 4.600 . 5.500 2.476 2.215 2.911 . 0 0 "[ . 1]" 1
256 1 35 PHE QB 1 35 PHE QD 2.400 . 3.300 2.177 2.123 2.251 . 0 0 "[ . 1]" 1
257 1 16 ASN QB 1 20 ASN HD21 5.300 . 5.500 4.696 4.358 4.911 . 0 0 "[ . 1]" 1
258 1 35 PHE QB 1 35 PHE QE 3.700 . 5.500 3.945 3.924 3.964 . 0 0 "[ . 1]" 1
259 1 36 CYS H 1 36 CYS QB . . 4.900 2.666 2.447 3.292 . 0 0 "[ . 1]" 1
260 1 56 PRO QD 1 57 GLU H 5.500 . 5.500 4.441 4.309 4.515 . 0 0 "[ . 1]" 1
261 1 57 GLU H 1 58 SER QB 5.000 . 5.500 3.214 3.028 3.556 . 0 0 "[ . 1]" 1
262 1 56 PRO HA 1 57 GLU H 5.000 . 5.500 2.213 2.150 2.312 . 0 0 "[ . 1]" 1
263 1 64 LEU HA 1 66 LYS H 5.000 . 5.500 4.409 4.072 4.674 . 0 0 "[ . 1]" 1
264 1 48 LYS HA 1 50 GLU H 5.500 . 5.500 5.398 5.288 5.534 0.034 7 0 "[ . 1]" 1
265 1 65 LEU HA 1 66 LYS H 5.500 . 5.500 3.465 3.436 3.512 . 0 0 "[ . 1]" 1
266 1 49 GLY HA3 1 50 GLU H 5.000 . 5.500 3.566 3.558 3.574 . 0 0 "[ . 1]" 1
267 1 58 SER H 1 58 SER QB 5.000 . 5.500 2.551 2.001 2.805 . 0 0 "[ . 1]" 1
268 1 58 SER QB 1 61 ILE H 4.000 . 5.500 2.575 2.376 2.716 . 0 0 "[ . 1]" 1
269 1 60 ALA HA 1 61 ILE H 5.000 . 5.500 3.446 3.433 3.458 . 0 0 "[ . 1]" 1
270 1 57 GLU HA 1 58 SER H 4.900 . 5.500 2.859 2.564 3.465 . 0 0 "[ . 1]" 1
271 1 23 SER HA 1 24 LEU H 5.000 . 5.500 2.226 2.180 2.254 . 0 0 "[ . 1]" 1
272 1 35 PHE HA 1 35 PHE QD 2.600 . 3.600 2.300 1.933 3.009 . 0 0 "[ . 1]" 1
273 1 35 PHE HA 1 36 CYS H 5.000 . 5.500 3.557 3.469 3.572 . 0 0 "[ . 1]" 1
274 1 9 CYS HA 1 36 CYS H 3.400 . 5.000 4.246 3.824 4.798 . 0 0 "[ . 1]" 1
275 1 36 CYS H 1 37 PRO HA 5.500 . 5.500 4.776 4.414 5.056 . 0 0 "[ . 1]" 1
276 1 24 LEU H 1 45 MET HA 5.000 . 5.500 3.769 3.688 3.874 . 0 0 "[ . 1]" 1
277 1 10 THR H 1 11 CYS H 5.000 . 5.500 2.864 1.920 3.617 . 0 0 "[ . 1]" 1
278 1 30 ILE H 1 42 ILE H 5.000 . 5.500 5.456 5.286 5.532 0.032 5 0 "[ . 1]" 1
279 1 42 ILE H 1 43 ALA H 5.500 . 5.500 3.780 3.369 4.018 . 0 0 "[ . 1]" 1
280 1 45 MET H 1 52 ARG H 5.000 . 5.500 4.465 4.349 4.576 . 0 0 "[ . 1]" 1
281 1 41 ILE H 1 42 ILE H 4.800 . 5.500 4.269 4.186 4.366 . 0 0 "[ . 1]" 1
282 1 43 ALA H 1 54 LEU H 5.000 . 5.500 3.029 2.716 3.304 . 0 0 "[ . 1]" 1
283 1 41 ILE H 1 54 LEU H 5.000 . 5.500 4.038 3.625 4.379 . 0 0 "[ . 1]" 1
284 1 11 CYS H 1 12 ILE H 5.500 . 5.500 4.098 3.200 4.490 . 0 0 "[ . 1]" 1
285 1 25 GLU H 1 44 THR H 5.000 . 5.500 3.582 3.381 3.830 . 0 0 "[ . 1]" 1
286 1 43 ALA H 1 44 THR H 5.000 . 5.500 4.455 4.368 4.536 . 0 0 "[ . 1]" 1
287 1 29 ILE H 1 30 ILE H 5.000 . 5.500 4.548 4.520 4.565 . 0 0 "[ . 1]" 1
288 1 44 THR H 1 45 MET H 5.500 . 5.500 4.236 3.958 4.357 . 0 0 "[ . 1]" 1
289 1 28 GLU H 1 42 ILE H 5.000 . 5.500 3.012 2.900 3.258 . 0 0 "[ . 1]" 1
290 1 25 GLU H 1 46 LYS H 5.000 . 5.500 3.227 2.997 3.407 . 0 0 "[ . 1]" 1
291 1 45 MET H 1 46 LYS H 5.500 . 5.500 4.498 4.451 4.542 . 0 0 "[ . 1]" 1
292 1 59 LYS H 1 60 ALA H 5.300 . 5.500 2.930 2.793 3.028 . 0 0 "[ . 1]" 1
293 1 51 LYS H 1 52 ARG H 5.000 . 5.500 4.379 4.248 4.533 . 0 0 "[ . 1]" 1
294 1 15 SER H 1 53 CYS H 5.500 . 5.500 5.462 5.359 5.520 0.020 9 0 "[ . 1]" 1
295 1 53 CYS H 1 54 LEU H 4.600 . 5.500 4.075 3.962 4.467 . 0 0 "[ . 1]" 1
296 1 25 GLU H 1 26 LYS H 5.000 . 5.500 2.632 2.515 2.694 . 0 0 "[ . 1]" 1
297 1 45 MET H 1 50 GLU H 5.000 . 5.500 2.761 2.676 2.934 . 0 0 "[ . 1]" 1
298 1 33 SER H 1 35 PHE H 5.500 . 5.500 2.917 2.487 3.828 . 0 0 "[ . 1]" 1
299 1 34 GLN H 1 35 PHE H 5.000 . 5.500 2.912 2.647 3.365 . 0 0 "[ . 1]" 1
300 1 12 ILE H 1 13 SER H 5.000 . 5.500 2.755 2.204 3.168 . 0 0 "[ . 1]" 1
301 1 33 SER H 1 38 ARG H 5.000 . 5.500 4.521 4.178 4.654 . 0 0 "[ . 1]" 1
302 1 16 ASN H 1 17 GLN H 5.000 . 5.500 2.527 1.959 2.923 . 0 0 "[ . 1]" 1
303 1 54 LEU H 1 55 ASN H 5.500 . 5.500 4.550 4.478 4.580 . 0 0 "[ . 1]" 1
304 1 15 SER H 1 16 ASN H 5.500 . 5.500 3.628 3.054 4.458 . 0 0 "[ . 1]" 1
305 1 15 SER H 1 54 LEU H 5.500 . 5.500 4.842 4.350 5.422 . 0 0 "[ . 1]" 1
306 1 24 LEU H 1 25 GLU H 5.000 . 5.500 4.339 4.265 4.386 . 0 0 "[ . 1]" 1
307 1 16 ASN H 1 20 ASN HD22 5.000 . 5.500 4.987 4.199 5.520 0.020 3 0 "[ . 1]" 1
308 1 59 LYS H 1 61 ILE H 5.000 . 5.500 3.269 3.147 3.370 . 0 0 "[ . 1]" 1
309 1 33 SER H 1 36 CYS H 5.000 . 5.500 3.139 2.410 3.594 . 0 0 "[ . 1]" 1
310 1 34 GLN H 1 36 CYS H 5.000 . 5.500 4.412 3.961 4.631 . 0 0 "[ . 1]" 1
311 1 14 ILE H 1 15 SER H 4.800 . 5.500 4.416 3.604 4.587 . 0 0 "[ . 1]" 1
312 1 47 LYS H 1 48 LYS H 5.500 . 5.500 1.905 1.865 2.062 . 0 0 "[ . 1]" 1
313 1 26 LYS H 1 44 THR H 5.300 . 5.500 2.871 2.542 3.059 . 0 0 "[ . 1]" 1
314 1 13 SER H 1 14 ILE H 5.500 . 5.500 4.128 3.235 4.547 . 0 0 "[ . 1]" 1
315 1 20 ASN H 1 23 SER H 5.000 . 5.500 4.860 4.587 5.692 0.192 10 0 "[ . 1]" 1
316 1 48 LYS H 1 50 GLU H 5.000 . 5.500 3.700 3.530 3.985 . 0 0 "[ . 1]" 1
317 1 50 GLU H 1 51 LYS H 5.000 . 5.500 4.422 4.224 4.530 . 0 0 "[ . 1]" 1
318 1 61 ILE H 1 62 LYS H 5.000 . 5.500 2.727 2.653 2.809 . 0 0 "[ . 1]" 1
319 1 65 LEU H 1 66 LYS H 5.000 . 5.500 2.600 2.518 2.713 . 0 0 "[ . 1]" 1
320 1 65 LEU H 1 67 ALA H 5.500 . 5.500 4.478 4.240 4.896 . 0 0 "[ . 1]" 1
321 1 64 LEU H 1 65 LEU H 5.000 . 5.500 3.034 2.975 3.098 . 0 0 "[ . 1]" 1
322 1 62 LYS H 1 63 ASN H 5.400 . 5.500 2.584 2.539 2.639 . 0 0 "[ . 1]" 1
323 1 38 ARG H 1 39 VAL H 5.500 . 5.500 4.269 4.214 4.329 . 0 0 "[ . 1]" 1
324 1 68 VAL H 1 69 SER H 5.500 . 5.500 2.490 2.254 2.991 . 0 0 "[ . 1]" 1
325 1 60 ALA H 1 63 ASN H 5.500 . 5.500 5.166 5.096 5.228 . 0 0 "[ . 1]" 1
326 1 63 ASN H 1 67 ALA H 5.000 . 5.500 5.387 5.220 5.581 0.081 5 0 "[ . 1]" 1
327 1 67 ALA H 1 68 VAL H 5.000 . 5.500 2.494 2.370 2.725 . 0 0 "[ . 1]" 1
328 1 63 ASN H 1 64 LEU H 5.500 . 5.500 2.480 2.426 2.575 . 0 0 "[ . 1]" 1
329 1 63 ASN H 1 66 LYS H 5.000 . 5.500 4.754 4.618 4.895 . 0 0 "[ . 1]" 1
330 1 26 LYS H 1 46 LYS H 5.500 . 5.500 4.842 4.681 5.000 . 0 0 "[ . 1]" 1
331 1 66 LYS H 1 69 SER H 5.500 . 5.500 4.574 4.407 4.714 . 0 0 "[ . 1]" 1
332 1 60 ALA H 1 61 ILE H 5.000 . 5.500 2.679 2.608 2.717 . 0 0 "[ . 1]" 1
333 1 24 LEU H 1 47 LYS H 5.000 . 5.500 5.308 5.250 5.356 . 0 0 "[ . 1]" 1
334 1 23 SER H 1 24 LEU H 5.000 . 5.500 4.028 3.933 4.159 . 0 0 "[ . 1]" 1
335 1 61 ILE H 1 63 ASN H 5.500 . 5.500 4.004 3.960 4.062 . 0 0 "[ . 1]" 1
336 1 49 GLY H 1 50 GLU H 5.500 . 5.500 3.219 3.116 3.294 . 0 0 "[ . 1]" 1
337 1 66 LYS H 1 67 ALA H 5.000 . 5.500 2.564 2.417 2.789 . 0 0 "[ . 1]" 1
338 1 57 GLU H 1 58 SER H 4.600 . 5.500 2.502 1.878 2.829 0.122 10 0 "[ . 1]" 1
339 1 9 CYS H 1 10 THR H 5.500 . 5.500 4.240 2.829 4.503 . 0 0 "[ . 1]" 1
340 1 25 GLU H 1 26 LYS HA 5.500 . 5.500 4.623 4.543 4.677 . 0 0 "[ . 1]" 1
341 1 41 ILE H 1 53 CYS HA 5.000 . 5.500 4.676 4.457 5.085 . 0 0 "[ . 1]" 1
342 1 42 ILE H 1 53 CYS HA 5.500 . 5.500 4.839 4.702 4.932 . 0 0 "[ . 1]" 1
343 1 27 MLE HA 1 43 ALA HA 2.000 . 2.700 2.144 1.893 2.419 . 0 0 "[ . 1]" 1
344 1 27 MLE HA 1 27 MLE HD11 2.100 . 2.900 3.103 1.933 3.910 1.010 2 2 "[ + .- 1]" 1
345 1 24 LEU HA 1 27 MLE HD11 2.400 . 3.300 3.267 2.722 3.880 0.580 2 1 "[ + . 1]" 1
346 1 19 VAL HA 1 19 VAL MG1 1.900 . 2.600 2.314 2.113 3.164 0.564 6 1 "[ .+ 1]" 1
347 1 53 CYS HA 1 54 LEU HA 5.100 . 5.500 4.411 4.363 4.444 . 0 0 "[ . 1]" 1
348 1 52 ARG HA 1 53 CYS HA 3.300 . 4.900 4.429 4.402 4.485 . 0 0 "[ . 1]" 1
349 1 42 ILE HA 1 53 CYS HA 2.100 . 2.900 2.592 2.436 2.742 . 0 0 "[ . 1]" 1
350 1 53 CYS HA 1 54 LEU HG 3.300 . 4.900 3.862 3.583 3.969 . 0 0 "[ . 1]" 1
351 1 40 GLU H 1 64 LEU MD2 4.300 . 5.500 5.476 5.391 5.536 0.036 4 0 "[ . 1]" 1
352 1 39 VAL H 1 64 LEU MD2 4.600 . 5.500 4.780 4.668 4.928 . 0 0 "[ . 1]" 1
353 1 35 PHE H 1 35 PHE QD 5.000 . 5.500 3.847 3.430 4.295 . 0 0 "[ . 1]" 1
354 1 35 PHE H 1 36 CYS H 5.000 . 5.500 2.255 2.003 2.497 . 0 0 "[ . 1]" 1
355 1 27 MLE HA 1 64 LEU QD 4.100 . 5.500 4.741 4.255 4.927 . 0 0 "[ . 1]" 1
356 1 27 MLE HD11 1 43 ALA HA 1.900 . 2.600 2.897 1.918 3.656 1.056 3 6 "[ *+*-* * 1]" 1
357 1 27 MLE HD11 1 41 ILE HA 2.400 . 4.500 5.116 3.832 5.803 1.303 2 8 "[*+* **-* *]" 1
358 1 27 MLE HD21 1 64 LEU HG 1.900 . 2.600 2.637 1.924 4.285 1.685 4 1 "[ +. 1]" 1
359 1 28 GLU HB3 1 42 ILE H 5.000 . 5.500 3.047 2.966 3.276 . 0 0 "[ . 1]" 1
360 1 29 ILE HB 1 29 ILE MD 1.800 . 2.400 2.179 2.147 2.220 . 0 0 "[ . 1]" 1
361 1 29 ILE MD 1 30 ILE H 4.700 . 5.500 3.202 3.038 3.326 . 0 0 "[ . 1]" 1
362 1 36 CYS H 1 37 PRO QD 5.000 . 5.500 3.808 3.131 4.293 . 0 0 "[ . 1]" 1
363 1 34 GLN HA 1 36 CYS H 5.000 . 5.500 5.332 4.650 5.538 0.038 5 0 "[ . 1]" 1
364 1 33 SER H 1 36 CYS HA 5.500 . 5.500 5.446 5.012 5.590 0.090 10 0 "[ . 1]" 1
365 1 36 CYS HA 1 37 PRO QD 2.200 . 3.000 1.975 1.860 2.119 . 0 0 "[ . 1]" 1
366 1 7 VAL QG 1 37 PRO QD 2.900 . 4.200 2.497 1.762 3.265 0.238 10 0 "[ . 1]" 1
367 1 40 GLU H 1 41 ILE H 5.000 . 5.500 4.463 4.406 4.544 . 0 0 "[ . 1]" 1
368 1 30 ILE H 1 40 GLU H 5.100 . 5.500 2.754 2.645 2.943 . 0 0 "[ . 1]" 1
369 1 27 MLE HA 1 43 ALA H 5.000 . 5.500 4.498 4.402 4.650 . 0 0 "[ . 1]" 1
370 1 45 MET H 1 46 LYS HA 5.500 . 5.500 5.431 5.397 5.464 . 0 0 "[ . 1]" 1
371 1 43 ALA MB 1 45 MET H 5.000 . 5.500 4.534 4.369 4.684 . 0 0 "[ . 1]" 1
372 1 48 LYS H 1 49 GLY H 5.000 . 5.500 1.933 1.885 1.955 0.015 3 0 "[ . 1]" 1
373 1 47 LYS H 1 49 GLY H 5.000 . 5.500 2.371 2.294 2.422 . 0 0 "[ . 1]" 1
374 1 43 ALA H 1 52 ARG H 5.000 . 5.500 3.749 3.678 3.802 . 0 0 "[ . 1]" 1
375 1 53 CYS HA 1 53 CYS HB2 3.000 . 4.300 2.603 2.378 2.987 . 0 0 "[ . 1]" 1
376 1 44 THR HA 1 51 LYS HA 2.100 . 2.900 2.107 1.911 2.415 . 0 0 "[ . 1]" 1
377 1 58 SER HA 1 58 SER QB 2.100 . 2.900 2.537 2.511 2.546 . 0 0 "[ . 1]" 1
378 1 30 ILE HA 1 31 PRO HD2 2.900 . 4.200 3.069 3.029 3.114 . 0 0 "[ . 1]" 1
379 1 20 ASN HA 1 21 PRO QD 1.900 . 2.600 2.253 1.873 2.469 . 0 0 "[ . 1]" 1
380 1 15 SER HA 1 15 SER QB 2.400 . 3.200 2.327 2.231 2.420 . 0 0 "[ . 1]" 1
381 1 23 SER HA 1 23 SER QB 2.400 . 3.300 2.284 2.195 2.447 . 0 0 "[ . 1]" 1
382 1 69 SER HA 1 69 SER QB 2.200 . 3.000 2.295 2.240 2.357 . 0 0 "[ . 1]" 1
383 1 20 ASN HA 1 61 ILE HA 2.000 . 4.500 4.386 3.486 4.594 0.094 8 0 "[ . 1]" 1
384 1 49 GLY QA 1 50 GLU HA 1.700 . 4.500 3.972 3.955 3.991 . 0 0 "[ . 1]" 1
385 1 13 SER HA 1 13 SER QB 2.100 . 2.900 2.363 2.176 2.542 . 0 0 "[ . 1]" 1
386 1 36 CYS HA 1 36 CYS QB 2.600 . 3.500 2.450 2.166 2.540 . 0 0 "[ . 1]" 1
387 1 35 PHE QB 1 36 CYS HA 3.100 . 4.500 4.159 4.090 4.299 . 0 0 "[ . 1]" 1
388 1 9 CYS HA 1 36 CYS QB 4.100 . 5.500 2.316 1.935 3.261 0.065 7 0 "[ . 1]" 1
389 1 20 ASN HA 1 20 ASN QB 2.400 . 3.200 2.381 2.315 2.506 . 0 0 "[ . 1]" 1
390 1 19 VAL HA 1 20 ASN QB 3.500 . 5.200 4.285 1.832 4.723 0.168 10 0 "[ . 1]" 1
391 1 20 ASN QB 1 60 ALA HA 3.300 . 4.900 4.192 4.030 4.821 . 0 0 "[ . 1]" 1
392 1 16 ASN HA 1 16 ASN QB 2.600 . 3.300 2.197 2.139 2.386 . 0 0 "[ . 1]" 1
393 1 11 CYS HA 1 11 CYS HB2 2.500 . 3.500 2.975 2.624 3.026 . 0 0 "[ . 1]" 1
394 1 9 CYS HA 1 40 GLU QG 4.000 . 5.500 4.861 4.109 5.518 0.018 10 0 "[ . 1]" 1
395 1 44 THR HA 1 45 MET QG 3.600 . 5.400 3.820 3.628 4.171 . 0 0 "[ . 1]" 1
396 1 45 MET HA 1 45 MET QG 2.500 . 3.500 2.771 2.284 3.247 . 0 0 "[ . 1]" 1
397 1 45 MET QG 1 51 LYS HA 3.300 . 4.900 4.534 4.042 4.798 . 0 0 "[ . 1]" 1
398 1 17 GLN HA 1 17 GLN QG 2.600 . 3.600 3.285 3.272 3.297 . 0 0 "[ . 1]" 1
399 1 45 MET HA 1 45 MET HB3 2.000 . 2.700 2.484 2.331 2.689 . 0 0 "[ . 1]" 1
400 1 58 SER QB 1 61 ILE HB . . 3.200 1.854 1.809 1.930 0.191 8 0 "[ . 1]" 1
401 1 56 PRO HA 1 61 ILE HB 3.600 . 5.400 3.738 3.672 3.815 . 0 0 "[ . 1]" 1
402 1 57 GLU HA 1 57 GLU QG 3.200 . 4.700 3.326 3.288 3.354 . 0 0 "[ . 1]" 1
403 1 28 GLU HA 1 28 GLU QG 4.200 . 5.500 2.856 2.526 3.189 . 0 0 "[ . 1]" 1
404 1 57 GLU HA 1 57 GLU HB3 2.200 . 3.000 2.360 2.311 2.396 . 0 0 "[ . 1]" 1
405 1 18 PRO HA 1 18 PRO HB3 2.000 . 2.700 2.326 2.318 2.330 . 0 0 "[ . 1]" 1
406 1 30 ILE HA 1 30 ILE HB 2.800 . 4.000 2.918 2.904 2.931 . 0 0 "[ . 1]" 1
407 1 21 PRO HB3 1 24 LEU HA 1.900 . 4.500 4.610 4.527 4.641 0.141 2 0 "[ . 1]" 1
408 1 56 PRO HA 1 56 PRO QB 2.100 . 2.900 2.298 2.289 2.306 . 0 0 "[ . 1]" 1
409 1 56 PRO HA 1 56 PRO HG2 2.700 . 3.800 3.681 3.645 3.712 . 0 0 "[ . 1]" 1
410 1 7 VAL HB 1 36 CYS HA 2.900 . 4.200 3.638 2.739 4.201 0.001 2 0 "[ . 1]" 1
411 1 40 GLU HA 1 40 GLU HB2 2.600 . 3.600 2.942 2.875 2.987 . 0 0 "[ . 1]" 1
412 1 8 ARG HA 1 8 ARG QB 2.500 . 3.500 2.386 2.171 2.541 . 0 0 "[ . 1]" 1
413 1 17 GLN HA 1 18 PRO HG3 3.300 . 4.900 4.613 4.551 4.705 . 0 0 "[ . 1]" 1
414 1 28 GLU HA 1 28 GLU HB3 2.000 . 2.700 3.017 2.980 3.026 0.326 4 0 "[ . 1]" 1
415 1 64 LEU HA 1 64 LEU QB 2.300 . 3.200 2.396 2.386 2.418 . 0 0 "[ . 1]" 1
416 1 27 MLE HA 1 27 MLE HB3 2.700 . 3.800 2.810 2.668 2.883 . 0 0 "[ . 1]" 1
417 1 26 LYS HA 1 26 LYS HB3 2.300 . 3.200 2.318 2.301 2.350 . 0 0 "[ . 1]" 1
418 1 41 ILE HA 1 41 ILE HB 2.500 . 3.500 2.637 2.430 3.001 . 0 0 "[ . 1]" 1
419 1 38 ARG HA 1 39 VAL HB 5.000 . 5.500 5.553 5.511 5.590 0.090 4 0 "[ . 1]" 1
420 1 50 GLU HA 1 50 GLU QB 2.000 . 2.700 2.437 2.178 2.526 . 0 0 "[ . 1]" 1
421 1 18 PRO HA 1 18 PRO HG2 2.700 . 3.800 3.832 3.818 3.849 0.049 6 0 "[ . 1]" 1
422 1 37 PRO HA 1 37 PRO QG 3.000 . 4.300 3.249 2.744 3.463 . 0 0 "[ . 1]" 1
423 1 42 ILE HA 1 42 ILE HB 2.400 . 3.300 3.012 3.000 3.025 . 0 0 "[ . 1]" 1
424 1 47 LYS HA 1 47 LYS QB 1.900 . 2.600 2.472 2.441 2.513 . 0 0 "[ . 1]" 1
425 1 57 GLU HA 1 57 GLU HB2 2.200 . 3.000 2.572 2.514 2.620 . 0 0 "[ . 1]" 1
426 1 23 SER HA 1 47 LYS QB 3.700 . 5.500 2.042 1.937 2.433 0.063 10 0 "[ . 1]" 1
427 1 24 LEU HA 1 24 LEU QB 1.700 . 2.300 2.300 2.231 2.352 0.052 7 0 "[ . 1]" 1
428 1 54 LEU HA 1 54 LEU HG 2.900 . 4.200 3.620 3.554 3.654 . 0 0 "[ . 1]" 1
429 1 8 ARG HA 1 8 ARG HG2 2.400 . 4.500 2.834 2.136 3.798 . 0 0 "[ . 1]" 1
430 1 51 LYS HA 1 52 ARG HB2 3.200 . 4.700 4.183 4.030 4.259 . 0 0 "[ . 1]" 1
431 1 67 ALA MB 1 68 VAL HA 3.300 . 4.900 3.852 3.742 3.937 . 0 0 "[ . 1]" 1
432 1 24 LEU HA 1 24 LEU QD 2.200 . 3.000 2.901 2.198 3.112 0.112 2 0 "[ . 1]" 1
433 1 24 LEU QD 1 64 LEU HA 2.900 . 4.200 2.739 2.543 2.832 . 0 0 "[ . 1]" 1
434 1 27 MLE HA 1 43 ALA MB 2.800 . 4.000 3.464 3.176 3.718 . 0 0 "[ . 1]" 1
435 1 43 ALA MB 1 51 LYS HA 3.800 . 5.500 4.697 4.376 5.023 . 0 0 "[ . 1]" 1
436 1 43 ALA HA 1 43 ALA MB 2.100 . 2.900 2.120 2.095 2.132 . 0 0 "[ . 1]" 1
437 1 42 ILE HA 1 43 ALA MB 3.400 . 5.000 4.042 3.924 4.081 . 0 0 "[ . 1]" 1
438 1 24 LEU HA 1 43 ALA MB 3.600 . 5.400 4.318 4.057 4.590 . 0 0 "[ . 1]" 1
439 1 27 MLE HA 1 27 MLE HB2 2.200 . 3.000 2.864 2.796 2.933 . 0 0 "[ . 1]" 1
440 1 27 MLE HB2 1 43 ALA HA 3.000 . 4.300 4.294 4.121 4.613 0.313 4 0 "[ . 1]" 1
441 1 24 LEU H 1 47 LYS HA 5.500 . 5.500 5.599 5.539 5.666 0.166 8 0 "[ . 1]" 1
442 1 10 THR HA 1 10 THR HB 2.000 . 2.700 2.532 2.365 2.773 0.073 8 0 "[ . 1]" 1
443 1 20 ASN QB 1 21 PRO QD 2.800 . 4.000 1.839 1.777 2.049 0.223 6 0 "[ . 1]" 1
444 1 57 GLU QG 1 58 SER QB 3.400 . 5.000 3.694 3.302 3.998 . 0 0 "[ . 1]" 1
445 1 56 PRO QD 1 57 GLU QG 4.200 . 5.500 4.986 4.924 5.106 . 0 0 "[ . 1]" 1
446 1 25 GLU QG 1 46 LYS HA 4.700 . 5.500 3.250 2.600 3.850 . 0 0 "[ . 1]" 1
447 1 25 GLU QG 1 44 THR HB 5.000 . 5.500 4.726 4.255 5.119 . 0 0 "[ . 1]" 1
448 1 45 MET HB2 1 50 GLU HA 4.200 . 5.500 4.553 4.102 4.976 . 0 0 "[ . 1]" 1
449 1 56 PRO QB 1 56 PRO QD 2.600 . 3.600 2.806 2.765 2.841 . 0 0 "[ . 1]" 1
450 1 21 PRO QB 1 21 PRO QD 2.500 . 3.500 2.794 2.565 2.954 . 0 0 "[ . 1]" 1
451 1 31 PRO HD2 1 40 GLU HB2 3.000 . 4.300 4.354 4.274 4.433 0.133 8 0 "[ . 1]" 1
452 1 56 PRO QD 1 56 PRO HG3 2.600 . 3.600 2.214 2.206 2.226 . 0 0 "[ . 1]" 1
453 1 14 ILE HA 1 14 ILE HB 2.200 . 3.000 2.558 2.462 2.873 . 0 0 "[ . 1]" 1
454 1 56 PRO HA 1 61 ILE HG12 3.100 . 4.500 3.511 3.426 3.682 . 0 0 "[ . 1]" 1
455 1 64 LEU HG 1 65 LEU HA 2.100 . 4.500 3.717 3.565 3.888 . 0 0 "[ . 1]" 1
456 1 34 GLN HA 1 34 GLN HB3 2.300 . 3.200 2.605 2.356 3.022 . 0 0 "[ . 1]" 1
457 1 58 SER QB 1 61 ILE HG12 2.200 . 3.000 2.810 2.326 2.986 . 0 0 "[ . 1]" 1
458 1 58 SER QB 1 61 ILE HG13 3.100 . 4.300 2.805 2.713 2.875 . 0 0 "[ . 1]" 1
459 1 48 LYS HA 1 48 LYS QG 2.100 . 2.900 2.696 2.378 2.935 0.035 7 0 "[ . 1]" 1
460 1 12 ILE HA 1 12 ILE QG 3.100 . 4.500 2.558 2.371 3.080 . 0 0 "[ . 1]" 1
461 1 44 THR HB 1 44 THR MG 2.000 . 2.700 2.096 2.073 2.117 . 0 0 "[ . 1]" 1
462 1 39 VAL HA 1 39 VAL QG 2.400 . 3.300 2.095 2.017 2.129 . 0 0 "[ . 1]" 1
463 1 68 VAL HA 1 68 VAL QG 2.500 . 3.500 2.142 1.972 2.265 . 0 0 "[ . 1]" 1
464 1 7 VAL HA 1 7 VAL QG 2.300 . 3.200 2.130 1.943 2.355 . 0 0 "[ . 1]" 1
465 1 64 LEU HA 1 64 LEU MD1 2.200 . 3.000 2.865 2.810 3.024 0.024 4 0 "[ . 1]" 1
466 1 56 PRO HA 1 61 ILE MG 2.000 . 2.700 1.817 1.792 1.846 . 0 0 "[ . 1]" 1
467 1 58 SER QB 1 61 ILE MD 2.900 . 4.200 3.921 3.685 4.000 . 0 0 "[ . 1]" 1
468 1 18 PRO HB2 1 19 VAL HA 2.500 . 4.500 4.245 4.149 4.576 0.076 10 0 "[ . 1]" 1
469 1 68 VAL HA 1 68 VAL HB 2.200 . 3.000 2.646 2.492 2.978 . 0 0 "[ . 1]" 1
470 1 21 PRO QD 1 21 PRO QG 2.200 . 3.000 1.946 1.923 1.980 . 0 0 "[ . 1]" 1
471 1 59 LYS HA 1 59 LYS HB3 1.800 . 2.400 2.677 2.359 3.006 0.606 5 4 "[** + - 1]" 1
472 1 61 ILE HA 1 64 LEU QB 2.100 . 2.900 2.662 2.411 2.905 0.005 9 0 "[ . 1]" 1
473 1 21 PRO QB 1 61 ILE HA 2.200 . 4.500 4.392 4.236 4.519 0.019 10 0 "[ . 1]" 1
474 1 18 PRO HD3 1 18 PRO HG3 2.300 . 3.200 2.290 2.286 2.292 . 0 0 "[ . 1]" 1
475 1 17 GLN HB2 1 18 PRO HD3 1.900 . 2.600 2.605 2.552 2.627 0.027 10 0 "[ . 1]" 1
476 1 18 PRO HD2 1 18 PRO HG3 2.400 . 3.300 2.958 2.950 2.964 . 0 0 "[ . 1]" 1
477 1 40 GLU HB2 1 40 GLU QG 2.100 . 2.900 2.208 2.125 2.452 . 0 0 "[ . 1]" 1
478 1 45 MET HB2 1 45 MET QG 2.100 . 2.900 2.286 2.139 2.479 . 0 0 "[ . 1]" 1
479 1 45 MET HB3 1 45 MET QG 2.000 . 2.700 2.237 2.181 2.343 . 0 0 "[ . 1]" 1
480 1 57 GLU HB3 1 57 GLU QG 2.100 . 2.900 2.275 2.130 2.519 . 0 0 "[ . 1]" 1
481 1 28 GLU HB3 1 28 GLU QG 1.600 . 2.200 2.291 2.131 2.520 0.320 5 0 "[ . 1]" 1
482 1 21 PRO QB 1 21 PRO HG3 1.600 . 2.200 2.136 2.124 2.149 . 0 0 "[ . 1]" 1
483 1 18 PRO HB3 1 18 PRO HG3 2.300 . 3.200 2.322 2.320 2.325 . 0 0 "[ . 1]" 1
484 1 17 GLN HB2 1 17 GLN QG 2.200 . 3.000 2.283 2.182 2.365 . 0 0 "[ . 1]" 1
485 1 30 ILE HB 1 40 GLU HB2 1.700 . 2.300 2.002 1.930 2.110 . 0 0 "[ . 1]" 1
486 1 57 GLU HB2 1 57 GLU QG 2.200 . 3.000 2.386 2.163 2.527 . 0 0 "[ . 1]" 1
487 1 7 VAL HB 1 37 PRO QG 1.800 . 4.500 4.330 4.068 4.513 0.013 1 0 "[ . 1]" 1
488 1 61 ILE HB 1 61 ILE HG12 2.200 . 3.000 2.316 2.295 2.340 . 0 0 "[ . 1]" 1
489 1 25 GLU QB 1 25 GLU HG2 3.300 . 4.900 2.103 2.075 2.121 . 0 0 "[ . 1]" 1
490 1 8 ARG QB 1 8 ARG HG2 2.600 . 3.600 2.368 2.185 2.512 . 0 0 "[ . 1]" 1
491 1 30 ILE HB 1 30 ILE QG 2.200 . 3.000 2.359 2.180 2.441 . 0 0 "[ . 1]" 1
492 1 61 ILE HB 1 61 ILE HG13 2.300 . 3.200 2.575 2.545 2.595 . 0 0 "[ . 1]" 1
493 1 25 GLU QG 1 44 THR MG 3.600 . 5.400 3.759 3.478 4.082 . 0 0 "[ . 1]" 1
494 1 64 LEU QD 1 68 VAL HB 2.900 . 4.200 4.103 4.021 4.232 0.032 8 0 "[ . 1]" 1
495 1 64 LEU HB2 1 64 LEU MD1 2.100 . 2.900 1.786 1.734 1.836 . 0 0 "[ . 1]" 1
496 1 61 ILE HB 1 61 ILE MD 2.800 . 4.000 3.194 3.181 3.202 . 0 0 "[ . 1]" 1
497 1 61 ILE MD 1 64 LEU QB 3.000 . 4.300 1.959 1.830 2.224 0.070 7 0 "[ . 1]" 1
498 1 41 ILE QG 1 41 ILE MG 2.200 . 3.000 2.094 1.885 2.353 . 0 0 "[ . 1]" 1
499 1 42 ILE MG 1 43 ALA MB 2.700 . 4.500 4.581 4.543 4.604 0.104 8 0 "[ . 1]" 1
500 1 41 ILE MG 1 54 LEU HB2 2.000 . 2.700 1.906 1.797 2.416 . 0 0 "[ . 1]" 1
501 1 27 MLE HB2 1 64 LEU QD 2.700 . 3.800 3.919 3.847 3.983 0.183 9 0 "[ . 1]" 1
502 1 43 ALA MB 1 64 LEU MD1 2.400 . 3.300 2.619 2.437 2.720 . 0 0 "[ . 1]" 1
503 1 54 LEU HB2 1 64 LEU QD 2.100 . 2.900 2.295 2.139 2.504 . 0 0 "[ . 1]" 1
504 1 12 ILE QG 1 12 ILE MG 2.700 . 3.800 2.102 1.900 2.372 . 0 0 "[ . 1]" 1
505 1 32 ALA MB 1 39 VAL QG 2.200 . 4.500 4.211 3.994 4.474 . 0 0 "[ . 1]" 1
506 1 42 ILE HB 1 42 ILE QG 3.000 . 4.300 2.352 2.191 2.544 . 0 0 "[ . 1]" 1
507 1 12 ILE HB 1 12 ILE MG 2.100 . 2.900 2.106 2.082 2.125 . 0 0 "[ . 1]" 1
508 1 30 ILE HB 1 30 ILE MG 2.100 . 2.900 2.081 2.079 2.085 . 0 0 "[ . 1]" 1
509 1 7 VAL QG 1 35 PHE QB 3.700 . 5.500 4.223 4.021 4.763 . 0 0 "[ . 1]" 1
510 1 20 ASN QB 1 60 ALA MB 2.700 . 3.800 1.853 1.783 2.083 0.017 1 0 "[ . 1]" 1
511 1 36 CYS QB 1 37 PRO QD 3.900 . 5.500 3.594 3.248 3.828 . 0 0 "[ . 1]" 1
512 1 17 GLN QG 1 18 PRO HD3 3.200 . 4.700 3.367 3.321 3.449 . 0 0 "[ . 1]" 1
513 1 61 ILE HA 1 61 ILE HB 2.500 . 3.500 2.781 2.745 2.858 . 0 0 "[ . 1]" 1
514 1 18 PRO HB3 1 18 PRO HD2 3.100 . 4.500 3.956 3.948 3.966 . 0 0 "[ . 1]" 1
515 1 37 PRO QB 1 37 PRO QD 3.100 . 4.000 2.644 2.567 2.706 . 0 0 "[ . 1]" 1
516 1 17 GLN HB2 1 18 PRO HD2 1.800 . 2.400 1.874 1.843 1.894 . 0 0 "[ . 1]" 1
517 1 59 LYS HA 1 59 LYS HB2 2.100 . 2.900 2.769 2.396 3.006 0.106 10 0 "[ . 1]" 1
518 1 61 ILE HA 1 61 ILE HG13 2.500 . 3.500 3.539 3.528 3.551 0.051 7 0 "[ . 1]" 1
519 1 10 THR HB 1 10 THR MG 1.900 . 2.600 2.092 2.069 2.110 . 0 0 "[ . 1]" 1
520 1 32 ALA HA 1 32 ALA MB 2.000 . 2.700 2.115 2.095 2.129 . 0 0 "[ . 1]" 1
521 1 30 ILE MG 1 31 PRO HD3 2.600 . 3.600 1.913 1.893 1.957 . 0 0 "[ . 1]" 1
522 1 42 ILE HA 1 42 ILE QG 2.600 . 3.600 2.752 2.343 3.083 . 0 0 "[ . 1]" 1
523 1 12 ILE MG 1 13 SER QB 3.100 . 4.500 3.717 2.722 4.507 0.007 3 0 "[ . 1]" 1
524 1 61 ILE HA 1 61 ILE MD 2.000 . 2.700 2.011 1.950 2.069 . 0 0 "[ . 1]" 1
525 1 42 ILE HA 1 42 ILE MG 2.100 . 2.900 2.133 2.041 2.364 . 0 0 "[ . 1]" 1
526 1 41 ILE MG 1 42 ILE HA 3.100 . 4.500 3.752 2.918 4.135 . 0 0 "[ . 1]" 1
527 1 61 ILE MD 1 61 ILE HG12 2.000 . 2.700 2.083 2.068 2.095 . 0 0 "[ . 1]" 1
528 1 24 LEU QD 1 27 MLE HD21 1.900 . 2.600 2.553 1.876 3.218 0.618 10 1 "[ . +]" 1
529 1 24 LEU HB2 1 64 LEU MD1 2.300 . 4.500 4.135 3.663 4.518 0.018 7 0 "[ . 1]" 1
530 1 25 GLU HB3 1 44 THR MG 2.200 . 3.000 2.511 2.138 3.006 0.006 9 0 "[ . 1]" 1
531 1 27 MLE HB2 1 27 MLE HB3 1.800 . 2.400 1.746 1.730 1.753 . 0 0 "[ . 1]" 1
532 1 24 LEU HB2 1 24 LEU MD1 1.900 . 2.600 1.825 1.736 2.028 . 0 0 "[ . 1]" 1
533 1 43 ALA MB 1 54 LEU HG 2.200 . 3.000 1.828 1.768 1.915 . 0 0 "[ . 1]" 1
534 1 43 ALA MB 1 52 ARG HB3 2.200 . 3.000 3.003 2.920 3.051 0.051 9 0 "[ . 1]" 1
535 1 27 MLE HB3 1 27 MLE HG 2.100 . 2.900 2.874 2.671 2.945 0.045 8 0 "[ . 1]" 1
536 1 43 ALA MB 1 54 LEU QB 2.100 . 4.500 3.380 3.157 3.498 . 0 0 "[ . 1]" 1
537 1 26 LYS QG 1 44 THR MG 1.800 . 2.400 2.085 1.945 2.202 . 0 0 "[ . 1]" 1
538 1 64 LEU QB 1 64 LEU HG 1.900 . 2.600 2.522 2.511 2.537 . 0 0 "[ . 1]" 1
539 1 8 ARG QB 1 8 ARG HG3 1.700 . 2.300 2.313 2.164 2.495 0.195 1 0 "[ . 1]" 1
540 1 40 GLU HB3 1 40 GLU QG 1.800 . 2.400 2.404 2.227 2.496 0.096 6 0 "[ . 1]" 1
541 1 34 GLN QG 1 35 PHE QB 3.000 . 4.300 2.945 2.581 3.962 . 0 0 "[ . 1]" 1
542 1 32 ALA MB 1 35 PHE QB 3.400 . 5.000 4.219 3.637 4.802 . 0 0 "[ . 1]" 1
543 1 18 PRO HD2 1 18 PRO HG2 2.600 . 3.600 2.275 2.264 2.284 . 0 0 "[ . 1]" 1
544 1 24 LEU QD 1 65 LEU HA 2.200 . 4.500 4.650 4.623 4.727 0.227 10 0 "[ . 1]" 1
545 1 44 THR MG 1 49 GLY QA 2.400 . 3.300 3.335 3.308 3.390 0.090 4 0 "[ . 1]" 1
546 1 34 GLN HA 1 34 GLN HB2 2.200 . 3.000 2.446 2.358 2.559 . 0 0 "[ . 1]" 1
547 1 26 LYS HB2 1 44 THR HB 2.500 . 3.500 1.969 1.938 2.038 . 0 0 "[ . 1]" 1
548 1 44 THR MG 1 50 GLU HA 2.200 . 4.500 4.466 4.293 4.554 0.054 6 0 "[ . 1]" 1
549 1 10 THR HA 1 10 THR MG 2.000 . 2.700 2.352 2.151 2.533 . 0 0 "[ . 1]" 1
550 1 60 ALA HA 1 60 ALA MB 2.000 . 2.700 2.102 2.081 2.123 . 0 0 "[ . 1]" 1
551 1 67 ALA HA 1 67 ALA MB 2.200 . 3.000 2.112 2.090 2.125 . 0 0 "[ . 1]" 1
552 1 12 ILE HA 1 12 ILE MG 2.400 . 3.300 2.388 2.220 3.199 . 0 0 "[ . 1]" 1
553 1 29 ILE MG 1 65 LEU HA 2.100 . 2.900 2.529 2.243 2.659 . 0 0 "[ . 1]" 1
554 1 65 LEU HA 1 68 VAL QG 2.300 . 3.200 2.100 1.782 2.844 0.218 2 0 "[ . 1]" 1
555 1 61 ILE HB 1 61 ILE MG 2.200 . 3.000 2.105 2.097 2.108 . 0 0 "[ . 1]" 1
556 1 27 MLE HD11 1 68 VAL HB 4.200 . 5.500 4.114 3.095 5.458 . 0 0 "[ . 1]" 1
557 1 41 ILE HB 1 41 ILE MG 1.900 . 2.600 2.092 2.068 2.126 . 0 0 "[ . 1]" 1
558 1 39 VAL HB 1 64 LEU MD2 1.700 . 2.300 2.707 2.637 2.809 0.509 9 2 "[ -. +1]" 1
559 1 42 ILE HB 1 42 ILE MG 1.800 . 2.400 2.095 2.084 2.129 . 0 0 "[ . 1]" 1
560 1 29 ILE HB 1 29 ILE QG 2.600 . 3.600 2.477 2.462 2.493 . 0 0 "[ . 1]" 1
561 1 32 ALA MB 1 37 PRO QG 3.300 . 4.900 5.196 5.030 5.298 0.398 1 0 "[ . 1]" 1
562 1 24 LEU QB 1 64 LEU MD1 2.300 . 4.500 4.028 3.586 4.382 . 0 0 "[ . 1]" 1
563 1 41 ILE MG 1 54 LEU HG 1.700 . 2.300 2.071 1.784 2.271 . 0 0 "[ . 1]" 1
564 1 27 MLE HD11 1 54 LEU HG 1.700 . 4.500 4.127 3.189 5.051 0.551 3 1 "[ + . 1]" 1
565 1 64 LEU QD 1 64 LEU HG 1.700 . 2.300 1.875 1.864 1.881 . 0 0 "[ . 1]" 1
566 1 64 LEU HG 1 68 VAL QG 2.200 . 3.000 2.757 2.189 2.991 . 0 0 "[ . 1]" 1
567 1 43 ALA MB 1 64 LEU HG 2.300 . 4.500 4.418 4.253 4.576 0.076 2 0 "[ . 1]" 1
568 1 61 ILE MD 1 61 ILE HG13 1.800 . 2.400 2.077 2.068 2.086 . 0 0 "[ . 1]" 1
569 1 61 ILE HG13 1 61 ILE MG 1.700 . 2.300 2.160 2.121 2.213 . 0 0 "[ . 1]" 1
570 1 24 LEU QD 1 64 LEU MD1 2.300 . 3.200 2.755 2.512 3.044 . 0 0 "[ . 1]" 1
571 1 24 LEU QD 1 64 LEU HG 2.200 . 3.000 3.041 2.837 3.128 0.128 10 0 "[ . 1]" 1
572 1 27 MLE HD11 1 43 ALA MB 1.800 . 2.400 2.282 1.795 3.026 0.626 3 3 "[ + -* 1]" 1
573 1 64 LEU QD 1 68 VAL QG 2.300 . 3.200 2.997 2.750 3.150 . 0 0 "[ . 1]" 1
574 1 27 MLE HD11 1 68 VAL QG 2.400 . 3.300 2.849 1.839 3.716 0.416 10 0 "[ . 1]" 1
575 1 20 ASN HD21 1 64 LEU QD 5.000 . 5.500 5.292 4.426 5.575 0.075 4 0 "[ . 1]" 1
576 1 53 CYS HA 1 54 LEU H 4.400 . 5.500 2.192 2.157 2.225 . 0 0 "[ . 1]" 1
577 1 43 ALA H 1 53 CYS HA 4.900 . 5.500 2.577 2.235 3.029 . 0 0 "[ . 1]" 1
578 1 51 LYS HA 1 52 ARG H 4.500 . 5.500 2.154 2.131 2.174 . 0 0 "[ . 1]" 1
579 1 45 MET H 1 51 LYS HA 5.000 . 5.500 3.409 3.120 3.541 . 0 0 "[ . 1]" 1
580 1 43 ALA HA 1 44 THR H 4.300 . 5.500 2.094 2.034 2.189 . 0 0 "[ . 1]" 1
581 1 30 ILE H 1 30 ILE QG 5.000 . 5.500 2.281 2.130 2.403 . 0 0 "[ . 1]" 1
582 1 30 ILE H 1 39 VAL QG 5.000 . 5.500 2.571 2.327 2.799 . 0 0 "[ . 1]" 1
583 1 41 ILE MG 1 43 ALA H 5.500 . 5.500 2.927 1.979 3.634 . 0 0 "[ . 1]" 1
584 1 27 MLE HD11 1 43 ALA H 4.300 . 5.500 4.615 3.390 5.485 . 0 0 "[ . 1]" 1
585 1 43 ALA H 1 43 ALA MB 4.700 . 5.500 2.181 2.109 2.225 . 0 0 "[ . 1]" 1
586 1 24 LEU QD 1 25 GLU H 5.000 . 5.500 2.837 1.866 3.282 0.034 7 0 "[ . 1]" 1
587 1 25 GLU H 1 25 GLU QB 5.000 . 5.500 2.751 2.701 2.786 . 0 0 "[ . 1]" 1
588 1 41 ILE H 1 54 LEU HB2 5.000 . 5.500 4.852 4.689 4.981 . 0 0 "[ . 1]" 1
589 1 44 THR MG 1 45 MET H 5.000 . 5.500 2.706 2.567 2.814 . 0 0 "[ . 1]" 1
590 1 41 ILE H 1 41 ILE HB 4.000 . 5.500 2.970 2.546 3.242 . 0 0 "[ . 1]" 1
591 1 40 GLU HB2 1 41 ILE H 4.900 . 5.500 4.484 4.370 4.557 . 0 0 "[ . 1]" 1
592 1 45 MET H 1 45 MET QG 5.000 . 5.500 2.492 2.108 3.005 . 0 0 "[ . 1]" 1
593 1 11 CYS H 1 53 CYS HB3 5.000 . 5.500 5.287 4.152 6.044 0.544 5 1 "[ + 1]" 1
594 1 7 VAL HA 1 8 ARG H 4.100 . 5.500 2.216 2.143 2.521 . 0 0 "[ . 1]" 1
595 1 19 VAL HA 1 20 ASN H 4.700 . 5.500 2.615 2.416 3.546 . 0 0 "[ . 1]" 1
596 1 32 ALA HA 1 33 SER H 5.000 . 5.500 2.212 2.165 2.342 . 0 0 "[ . 1]" 1
597 1 59 LYS HA 1 60 ALA H 5.300 . 5.500 3.561 3.546 3.586 . 0 0 "[ . 1]" 1
598 1 8 ARG H 1 35 PHE QB 5.500 . 5.500 3.504 1.926 5.262 . 0 0 "[ . 1]" 1
599 1 11 CYS HB3 1 12 ILE H 5.000 . 5.500 3.574 1.979 4.257 . 0 0 "[ . 1]" 1
600 1 55 ASN H 1 57 GLU QG 4.500 . 5.500 4.082 3.971 4.190 . 0 0 "[ . 1]" 1
601 1 45 MET HB3 1 46 LYS H 4.700 . 5.500 3.315 2.897 3.694 . 0 0 "[ . 1]" 1
602 1 61 ILE HB 1 62 LYS H 5.000 . 5.500 3.357 3.079 3.502 . 0 0 "[ . 1]" 1
603 1 54 LEU H 1 54 LEU HB2 4.500 . 5.500 2.860 2.814 2.921 . 0 0 "[ . 1]" 1
604 1 14 ILE HB 1 15 SER H 5.000 . 5.500 2.488 1.953 3.259 . 0 0 "[ . 1]" 1
605 1 50 GLU QB 1 51 LYS H 4.600 . 5.500 3.355 2.982 3.776 . 0 0 "[ . 1]" 1
606 1 28 GLU H 1 42 ILE HB 5.000 . 5.500 3.329 3.184 3.575 . 0 0 "[ . 1]" 1
607 1 29 ILE H 1 29 ILE HB 3.600 . 5.400 3.660 3.653 3.669 . 0 0 "[ . 1]" 1
608 1 14 ILE H 1 14 ILE HB 4.400 . 5.500 3.680 3.476 3.883 . 0 0 "[ . 1]" 1
609 1 55 ASN H 1 61 ILE HG12 5.500 . 5.500 5.257 5.000 5.523 0.023 8 0 "[ . 1]" 1
610 1 51 LYS H 1 52 ARG HB2 5.200 . 5.500 4.651 4.320 5.034 . 0 0 "[ . 1]" 1
611 1 54 LEU QB 1 55 ASN H 5.000 . 5.500 2.430 2.368 2.462 . 0 0 "[ . 1]" 1
612 1 24 LEU QD 1 65 LEU H 4.800 . 5.500 5.065 4.971 5.134 . 0 0 "[ . 1]" 1
613 1 60 ALA MB 1 62 LYS H 4.100 . 5.500 4.461 4.400 4.528 . 0 0 "[ . 1]" 1
614 1 39 VAL H 1 39 VAL HB 4.600 . 5.500 2.909 2.859 2.991 . 0 0 "[ . 1]" 1
615 1 59 LYS HB3 1 60 ALA H 5.000 . 5.500 2.484 1.919 3.249 . 0 0 "[ . 1]" 1
616 1 29 ILE MG 1 65 LEU H 3.800 . 5.500 4.516 4.347 4.725 . 0 0 "[ . 1]" 1
617 1 30 ILE MG 1 40 GLU H 4.900 . 5.500 4.819 4.684 4.926 . 0 0 "[ . 1]" 1
618 1 19 VAL QG 1 20 ASN H 5.000 . 5.500 3.695 3.468 3.833 . 0 0 "[ . 1]" 1
619 1 55 ASN H 1 61 ILE MD 5.000 . 5.500 3.469 3.355 3.690 . 0 0 "[ . 1]" 1
620 1 41 ILE MG 1 55 ASN H 5.000 . 5.500 4.068 3.682 5.061 . 0 0 "[ . 1]" 1
621 1 40 GLU H 1 65 LEU QD 4.500 . 5.500 4.821 4.524 5.190 . 0 0 "[ . 1]" 1
622 1 32 ALA MB 1 38 ARG H 4.500 . 5.500 1.988 1.888 2.321 0.112 10 0 "[ . 1]" 1
623 1 26 LYS H 1 44 THR MG 5.000 . 5.500 2.982 2.665 3.247 . 0 0 "[ . 1]" 1
624 1 68 VAL QG 1 69 SER H 5.000 . 5.500 2.253 2.040 2.629 . 0 0 "[ . 1]" 1
625 1 12 ILE MG 1 13 SER H 4.500 . 5.500 3.434 2.282 3.965 . 0 0 "[ . 1]" 1
626 1 19 VAL H 1 19 VAL MG2 5.000 . 5.500 2.096 1.858 3.753 0.042 9 0 "[ . 1]" 1
627 1 57 GLU HB2 1 58 SER H 5.000 . 5.500 4.219 3.766 4.406 . 0 0 "[ . 1]" 1
628 1 34 GLN QG 1 35 PHE QD 3.300 . 4.900 3.205 2.761 4.013 . 0 0 "[ . 1]" 1
629 1 64 LEU HG 1 66 LYS H 4.600 . 5.500 5.339 5.139 5.522 0.022 10 0 "[ . 1]" 1
630 1 18 PRO HG2 1 19 VAL H 5.000 . 5.500 4.394 4.236 4.451 . 0 0 "[ . 1]" 1
631 1 56 PRO HG3 1 57 GLU H 4.300 . 5.500 4.792 4.672 4.900 . 0 0 "[ . 1]" 1
632 1 11 CYS HB2 1 13 SER H 5.000 . 5.500 4.548 3.885 5.437 . 0 0 "[ . 1]" 1
633 1 17 GLN H 1 17 GLN QG 5.000 . 5.500 2.665 2.618 2.705 . 0 0 "[ . 1]" 1
634 1 68 VAL HB 1 69 SER H 4.500 . 5.500 3.508 2.431 3.996 . 0 0 "[ . 1]" 1
635 1 34 GLN HA 1 35 PHE H 4.700 . 5.500 3.498 3.435 3.554 . 0 0 "[ . 1]" 1
636 1 20 ASN QB 1 20 ASN HD21 5.000 . 5.500 2.509 2.380 2.757 . 0 0 "[ . 1]" 1
637 1 24 LEU QD 1 66 LYS H 5.500 . 5.500 5.313 4.858 5.536 0.036 7 0 "[ . 1]" 1
638 1 60 ALA MB 1 64 LEU H 5.100 . 5.500 4.801 4.743 4.864 . 0 0 "[ . 1]" 1
639 1 61 ILE MD 1 64 LEU H 5.000 . 5.500 3.424 3.294 3.737 . 0 0 "[ . 1]" 1
640 1 20 ASN HD21 1 61 ILE MD 4.800 . 5.500 3.937 2.808 4.455 . 0 0 "[ . 1]" 1
641 1 15 SER H 1 41 ILE MG 5.000 . 5.500 5.142 4.308 5.550 0.050 2 0 "[ . 1]" 1
642 1 16 ASN QB 1 20 ASN HD22 4.600 . 5.500 4.351 3.525 4.903 . 0 0 "[ . 1]" 1
643 1 41 ILE MG 1 53 CYS HA 3.500 . 5.200 3.305 2.897 4.142 . 0 0 "[ . 1]" 1
644 1 43 ALA MB 1 53 CYS HA 5.500 . 5.500 3.644 2.993 4.267 . 0 0 "[ . 1]" 1
645 1 27 MLE HA 1 28 GLU HB2 4.000 . 5.500 4.801 4.702 4.895 . 0 0 "[ . 1]" 1
646 1 27 MLE HA 1 28 GLU HB3 4.700 . 5.500 4.580 4.473 4.767 . 0 0 "[ . 1]" 1
647 1 53 CYS HA 1 53 CYS HB3 2.400 . 3.300 2.874 2.233 3.033 . 0 0 "[ . 1]" 1
648 1 14 ILE HA 1 15 SER QB 4.600 . 5.500 4.196 3.976 5.173 . 0 0 "[ . 1]" 1
649 1 30 ILE HA 1 31 PRO HD3 2.900 . 4.200 2.071 2.029 2.108 . 0 0 "[ . 1]" 1
650 1 44 THR HA 1 44 THR HB 2.500 . 3.500 3.025 3.017 3.033 . 0 0 "[ . 1]" 1
651 1 44 THR HA 1 45 MET HB2 3.700 . 5.500 4.564 4.137 4.914 . 0 0 "[ . 1]" 1
652 1 21 PRO HB3 1 64 LEU HA 3.200 . 4.700 2.079 1.932 2.350 . 0 0 "[ . 1]" 1
653 1 32 ALA HA 1 40 GLU HB2 3.000 . 4.300 4.131 3.755 4.315 0.015 8 0 "[ . 1]" 1
654 1 63 ASN HA 1 66 LYS HB3 2.500 . 3.500 2.553 2.073 3.430 . 0 0 "[ . 1]" 1
655 1 47 LYS HA 1 47 LYS QG 2.600 . 3.600 2.693 2.279 3.000 . 0 0 "[ . 1]" 1
656 1 30 ILE HA 1 30 ILE QG 2.600 . 3.600 3.001 2.897 3.311 . 0 0 "[ . 1]" 1
657 1 30 ILE HA 1 30 ILE MG 2.400 . 3.300 1.932 1.919 1.947 . 0 0 "[ . 1]" 1
658 1 44 THR HA 1 44 THR MG 2.300 . 3.200 2.473 2.354 2.515 . 0 0 "[ . 1]" 1
659 1 40 GLU HA 1 64 LEU MD2 3.700 . 5.500 5.515 5.405 5.638 0.138 9 0 "[ . 1]" 1
660 1 17 GLN HB3 1 18 PRO HD2 3.200 . 4.700 3.430 3.410 3.446 . 0 0 "[ . 1]" 1
661 1 9 CYS QB 1 36 CYS QB 2.400 . 3.300 2.447 1.809 3.123 . 0 0 "[ . 1]" 1
662 1 28 GLU HB2 1 28 GLU QG 2.000 . 4.500 2.226 2.140 2.459 . 0 0 "[ . 1]" 1
663 1 17 GLN QG 1 18 PRO HB2 3.000 . 4.300 3.106 3.016 3.278 . 0 0 "[ . 1]" 1
664 1 64 LEU HG 1 68 VAL HB 3.700 . 5.500 3.674 3.465 3.970 . 0 0 "[ . 1]" 1
665 1 14 ILE HB 1 54 LEU HB3 2.000 . 4.500 4.261 3.872 4.756 0.256 10 0 "[ . 1]" 1
666 1 30 ILE QG 1 30 ILE MG 2.000 . 4.500 2.189 2.122 2.261 . 0 0 "[ . 1]" 1
667 1 47 LYS QB 1 47 LYS QG 1.700 . 2.300 1.982 1.949 2.068 . 0 0 "[ . 1]" 1
668 1 30 ILE QG 1 40 GLU HB3 1.800 . 2.400 2.220 1.945 2.386 . 0 0 "[ . 1]" 1
669 1 48 LYS QG 1 50 GLU HB2 2.000 . 4.500 3.972 2.669 4.307 . 0 0 "[ . 1]" 1
670 1 34 GLN HA 1 34 GLN QG 2.700 . 3.800 3.148 2.528 3.355 . 0 0 "[ . 1]" 1
671 1 64 LEU HA 1 67 ALA MB 3.300 . 4.900 3.728 3.423 3.941 . 0 0 "[ . 1]" 1
672 1 29 ILE MD 1 69 SER QB 2.800 . 4.000 3.980 3.873 4.073 0.073 5 0 "[ . 1]" 1
673 1 58 SER QB 1 61 ILE MG 2.400 . 3.300 2.713 2.476 3.022 . 0 0 "[ . 1]" 1
674 1 29 ILE MG 1 64 LEU HG 1.900 . 4.500 3.499 3.049 3.846 . 0 0 "[ . 1]" 1
675 1 27 MLE HB2 1 27 MLE HD11 2.100 . 2.900 2.582 1.923 3.201 0.301 10 0 "[ . 1]" 1
676 1 39 VAL QG 1 65 LEU QD 1.900 . 2.600 1.626 1.480 1.841 . 0 0 "[ . 1]" 1
677 1 57 GLU QG 1 61 ILE MG 2.700 . 3.800 3.675 3.575 3.751 . 0 0 "[ . 1]" 1
678 1 26 LYS HA 1 27 MLE HA 3.700 . 5.500 4.415 4.391 4.459 . 0 0 "[ . 1]" 1
679 1 27 MLE HA 1 28 GLU HA 3.200 . 4.700 4.422 4.408 4.463 . 0 0 "[ . 1]" 1
680 1 7 VAL HA 1 36 CYS HA 4.000 . 5.500 4.718 3.861 5.318 . 0 0 "[ . 1]" 1
681 1 15 SER QB 1 54 LEU HA 3.200 . 4.700 3.693 3.308 4.306 . 0 0 "[ . 1]" 1
682 1 16 ASN HA 1 58 SER QB 3.400 . 5.000 2.845 1.950 3.221 0.050 10 0 "[ . 1]" 1
683 1 27 MLE HA 1 27 MLE HG 2.500 . 3.500 2.419 2.092 3.633 0.133 9 0 "[ . 1]" 1
684 1 25 GLU QB 1 26 LYS HA 3.000 . 4.300 4.037 3.980 4.126 . 0 0 "[ . 1]" 1
685 1 43 ALA HA 1 54 LEU HG 2.600 . 4.500 4.371 4.134 4.511 0.011 8 0 "[ . 1]" 1
686 1 27 MLE HA 1 29 ILE MG 3.100 . 4.500 4.499 4.229 4.625 0.125 1 0 "[ . 1]" 1
687 1 7 VAL QG 1 36 CYS HA 3.200 . 4.700 3.205 1.819 4.278 0.081 5 0 "[ . 1]" 1
688 1 42 ILE MG 1 43 ALA HA 2.000 . 4.500 4.466 4.249 4.515 0.015 10 0 "[ . 1]" 1
689 1 16 ASN HA 1 61 ILE MD 3.500 . 5.200 4.219 3.778 4.624 . 0 0 "[ . 1]" 1
690 1 16 ASN HA 1 61 ILE HG12 3.900 . 5.500 2.839 2.576 3.187 . 0 0 "[ . 1]" 1
691 1 16 ASN HA 1 17 GLN QG 3.800 . 5.500 5.348 5.277 5.398 . 0 0 "[ . 1]" 1
692 1 26 LYS HA 1 27 MLE HB2 4.400 . 5.500 5.525 5.260 5.647 0.147 5 0 "[ . 1]" 1
693 1 26 LYS HA 1 27 MLE HD11 4.500 . 5.500 5.477 4.672 6.637 1.137 2 1 "[ + . 1]" 1
694 1 26 LYS HA 1 44 THR HB 4.000 . 5.500 3.894 3.820 3.947 . 0 0 "[ . 1]" 1
695 1 24 LEU HA 1 45 MET HA 2.200 . 3.000 2.330 1.976 2.623 . 0 0 "[ . 1]" 1
696 1 19 VAL HA 1 20 ASN HA 2.900 . 4.500 4.494 3.563 4.651 0.151 8 0 "[ . 1]" 1
697 1 37 PRO HA 1 37 PRO QD 3.600 . 4.900 3.375 3.074 3.521 . 0 0 "[ . 1]" 1
698 1 17 GLN HA 1 18 PRO HD3 2.000 . 2.700 2.471 2.420 2.561 . 0 0 "[ . 1]" 1
699 1 20 ASN HA 1 21 PRO QG 2.800 . 4.000 4.029 3.453 4.136 0.136 6 0 "[ . 1]" 1
700 1 43 ALA MB 1 45 MET HA 4.200 . 5.500 4.469 4.343 4.617 . 0 0 "[ . 1]" 1
701 1 32 ALA MB 1 37 PRO HA 2.700 . 3.800 3.722 3.429 3.903 0.103 9 0 "[ . 1]" 1
702 1 40 GLU HB3 1 41 ILE HA 2.800 . 4.500 4.252 4.191 4.331 . 0 0 "[ . 1]" 1
703 1 32 ALA MB 1 38 ARG HA 3.000 . 4.300 4.100 3.928 4.377 0.077 8 0 "[ . 1]" 1
704 1 17 GLN HA 1 17 GLN HB3 2.600 . 3.600 2.656 2.641 2.669 . 0 0 "[ . 1]" 1
705 1 52 ARG HA 1 52 ARG HB3 2.400 . 3.300 2.975 2.810 3.010 . 0 0 "[ . 1]" 1
706 1 52 ARG HA 1 52 ARG HB2 2.600 . 3.600 2.655 2.589 2.898 . 0 0 "[ . 1]" 1
707 1 42 ILE HA 1 54 LEU HG 4.100 . 5.500 5.096 4.487 5.521 0.021 10 0 "[ . 1]" 1
708 1 43 ALA MB 1 52 ARG HA 3.400 . 5.000 4.786 4.592 5.003 0.003 4 0 "[ . 1]" 1
709 1 29 ILE MG 1 41 ILE HA 4.500 . 5.500 3.886 3.569 4.181 . 0 0 "[ . 1]" 1
710 1 41 ILE HA 1 64 LEU QD 3.800 . 5.500 4.316 4.006 4.537 . 0 0 "[ . 1]" 1
711 1 41 ILE HA 1 41 ILE MG 2.400 . 3.300 3.019 2.297 3.192 . 0 0 "[ . 1]" 1
712 1 38 ARG HA 1 39 VAL QG 3.700 . 5.500 3.434 3.373 3.491 . 0 0 "[ . 1]" 1
713 1 12 ILE HA 1 13 SER HA 3.700 . 5.500 4.566 4.507 4.629 . 0 0 "[ . 1]" 1
714 1 23 SER HA 1 47 LYS HA 3.600 . 5.400 4.355 4.208 4.554 . 0 0 "[ . 1]" 1
715 1 18 PRO HA 1 18 PRO HD2 3.400 . 5.000 3.897 3.888 3.909 . 0 0 "[ . 1]" 1
716 1 11 CYS HB2 1 14 ILE HA 3.200 . 4.700 4.711 3.973 5.622 0.922 5 2 "[ + - 1]" 1
717 1 28 GLU HA 1 28 GLU HB2 2.400 . 3.300 2.424 2.388 2.510 . 0 0 "[ . 1]" 1
718 1 24 LEU HA 1 27 MLE HB3 3.100 . 4.500 4.502 4.242 4.648 0.148 10 0 "[ . 1]" 1
719 1 57 GLU HB2 1 58 SER HA 3.600 . 5.400 4.694 4.332 4.837 . 0 0 "[ . 1]" 1
720 1 23 SER HA 1 47 LYS QG 2.400 . 3.300 2.920 1.890 3.288 . 0 0 "[ . 1]" 1
721 1 63 ASN HA 1 66 LYS HB2 3.400 . 5.000 2.820 1.922 3.543 0.078 5 0 "[ . 1]" 1
722 1 58 SER HA 1 61 ILE HG13 3.700 . 5.500 5.278 4.787 5.522 0.022 4 0 "[ . 1]" 1
723 1 28 GLU HA 1 42 ILE HB 3.800 . 5.500 5.516 5.368 5.568 0.068 5 0 "[ . 1]" 1
724 1 67 ALA HA 1 68 VAL HB 5.000 . 5.500 5.584 5.474 5.638 0.138 6 0 "[ . 1]" 1
725 1 18 PRO HA 1 18 PRO HG3 3.000 . 4.300 2.840 2.818 2.871 . 0 0 "[ . 1]" 1
726 1 39 VAL HA 1 56 PRO HG2 2.400 . 4.500 4.573 4.535 4.624 0.124 9 0 "[ . 1]" 1
727 1 58 SER HA 1 61 ILE MG 3.200 . 4.700 3.788 3.715 3.981 . 0 0 "[ . 1]" 1
728 1 68 VAL QG 1 69 SER HA 3.300 . 4.900 3.179 3.049 3.243 . 0 0 "[ . 1]" 1
729 1 57 GLU HA 1 61 ILE MG 2.400 . 3.300 3.270 3.193 3.330 0.030 8 0 "[ . 1]" 1
730 1 12 ILE MG 1 13 SER HA 3.100 . 4.500 3.870 3.341 4.271 . 0 0 "[ . 1]" 1
731 1 55 ASN HA 1 56 PRO QD 2.600 . 3.600 2.070 2.023 2.122 . 0 0 "[ . 1]" 1
732 1 21 PRO QD 1 61 ILE HA 1.700 . 2.300 2.302 2.123 2.353 0.053 7 0 "[ . 1]" 1
733 1 66 LYS HA 1 69 SER QB 2.700 . 3.800 3.182 2.964 3.404 . 0 0 "[ . 1]" 1
734 1 31 PRO HD2 1 32 ALA HA 3.300 . 4.900 4.920 4.845 4.951 0.051 4 0 "[ . 1]" 1
735 1 16 ASN QB 1 58 SER QB 3.600 . 5.400 2.619 1.917 3.249 0.083 9 0 "[ . 1]" 1
736 1 65 LEU HA 1 68 VAL HB 2.700 . 3.800 3.382 2.373 3.807 0.007 4 0 "[ . 1]" 1
737 1 66 LYS HA 1 66 LYS HB2 2.900 . 4.200 2.691 2.483 2.990 . 0 0 "[ . 1]" 1
738 1 48 LYS HA 1 48 LYS HB2 2.100 . 2.900 2.470 2.219 2.538 . 0 0 "[ . 1]" 1
739 1 56 PRO QD 1 56 PRO HG2 2.300 . 3.200 2.197 2.188 2.209 . 0 0 "[ . 1]" 1
740 1 54 LEU HB2 1 56 PRO QD 3.000 . 4.300 2.448 2.297 2.618 . 0 0 "[ . 1]" 1
741 1 15 SER QB 1 54 LEU HB3 3.200 . 4.700 2.779 2.219 3.495 . 0 0 "[ . 1]" 1
742 1 30 ILE MG 1 31 PRO HD2 2.700 . 3.800 1.830 1.803 1.861 . 0 0 "[ . 1]" 1
743 1 68 VAL QG 1 69 SER QB 4.300 . 5.500 2.915 2.818 3.091 . 0 0 "[ . 1]" 1
744 1 15 SER QB 1 52 ARG HB3 4.400 . 4.900 3.316 2.861 4.062 . 0 0 "[ . 1]" 1
745 1 16 ASN QB 1 56 PRO HA 4.500 . 5.500 5.032 4.604 5.312 . 0 0 "[ . 1]" 1
746 1 20 ASN QB 1 61 ILE HA 3.900 . 5.200 3.608 3.454 4.082 . 0 0 "[ . 1]" 1
747 1 17 GLN HA 1 18 PRO HD2 2.200 . 3.000 3.057 3.043 3.083 0.083 6 0 "[ . 1]" 1
748 1 13 SER QB 1 14 ILE HA 5.100 . 5.500 4.407 4.081 4.593 . 0 0 "[ . 1]" 1
749 1 7 VAL HB 1 37 PRO QD 2.400 . 3.300 2.977 2.455 3.219 . 0 0 "[ . 1]" 1
750 1 15 SER QB 1 21 PRO QG 4.600 . 5.500 4.958 4.497 5.373 . 0 0 "[ . 1]" 1
751 1 32 ALA MB 1 37 PRO QD 4.800 . 5.500 4.504 4.227 4.700 . 0 0 "[ . 1]" 1
752 1 20 ASN QB 1 21 PRO QB 3.600 . 5.400 4.044 3.871 4.175 . 0 0 "[ . 1]" 1
753 1 40 GLU HA 1 40 GLU QG 2.400 . 3.300 2.285 2.050 2.418 . 0 0 "[ . 1]" 1
754 1 17 GLN HG2 1 18 PRO HD2 3.100 . 4.500 3.385 3.206 3.462 . 0 0 "[ . 1]" 1
755 1 36 CYS QB 1 40 GLU QG 4.100 . 5.500 3.812 3.096 4.174 . 0 0 "[ . 1]" 1
756 1 43 ALA MB 1 45 MET QG 4.500 . 5.500 3.709 3.314 4.127 . 0 0 "[ . 1]" 1
757 1 17 GLN QG 1 19 VAL MG2 2.100 . 2.900 1.995 1.703 3.853 0.953 6 1 "[ .+ 1]" 1
758 1 45 MET HA 1 45 MET HB2 2.400 . 3.300 3.001 2.962 3.014 . 0 0 "[ . 1]" 1
759 1 17 GLN HA 1 17 GLN HB2 2.600 . 3.600 2.283 2.270 2.293 . 0 0 "[ . 1]" 1
760 1 40 GLU HA 1 40 GLU HB3 2.300 . 3.200 2.758 2.676 2.844 . 0 0 "[ . 1]" 1
761 1 56 PRO HA 1 64 LEU QB 2.800 . 4.500 4.100 3.929 4.270 . 0 0 "[ . 1]" 1
762 1 68 VAL HB 1 69 SER QB 3.900 . 5.500 4.965 3.942 5.500 0.000 10 0 "[ . 1]" 1
763 1 18 PRO HB3 1 18 PRO HD3 2.900 . 4.200 4.017 4.007 4.020 . 0 0 "[ . 1]" 1
764 1 30 ILE HB 1 31 PRO HD2 2.200 . 3.000 2.858 2.739 3.011 0.011 3 0 "[ . 1]" 1
765 1 17 GLN HB3 1 17 GLN QG 2.200 . 3.000 2.400 2.315 2.490 . 0 0 "[ . 1]" 1
766 1 21 PRO QB 1 24 LEU HB2 2.000 . 2.700 2.565 2.249 2.819 0.119 7 0 "[ . 1]" 1
767 1 28 GLU QG 1 30 ILE QG 2.100 . 4.500 3.107 2.809 3.675 . 0 0 "[ . 1]" 1
768 1 21 PRO QB 1 67 ALA MB 3.400 . 5.000 3.359 3.015 3.641 . 0 0 "[ . 1]" 1
769 1 67 ALA MB 1 68 VAL HB 3.000 . 4.300 4.121 3.955 4.333 0.033 8 0 "[ . 1]" 1
770 1 44 THR MG 1 45 MET HB2 2.300 . 4.500 4.397 4.130 4.594 0.094 9 0 "[ . 1]" 1
771 1 30 ILE QG 1 40 GLU HB2 2.700 . 3.800 2.927 2.587 3.282 . 0 0 "[ . 1]" 1
772 1 56 PRO HG3 1 64 LEU HG 2.500 . 4.500 4.218 4.063 4.490 . 0 0 "[ . 1]" 1
773 1 29 ILE MG 1 68 VAL HB 3.500 . 5.200 3.494 2.829 4.016 . 0 0 "[ . 1]" 1
774 1 28 GLU QG 1 30 ILE MG 2.100 . 4.500 4.268 4.155 4.350 . 0 0 "[ . 1]" 1
775 1 21 PRO HB3 1 64 LEU MD1 2.200 . 3.000 2.804 2.623 2.990 . 0 0 "[ . 1]" 1
776 1 21 PRO QB 1 27 MLE HD21 2.300 . 3.200 4.111 2.892 4.629 1.429 7 8 "[* ***-+* *]" 1
777 1 56 PRO HG2 1 64 LEU MD2 2.200 . 3.000 1.980 1.851 2.133 . 0 0 "[ . 1]" 1
778 1 30 ILE MG 1 40 GLU HB2 2.800 . 4.000 3.705 3.611 3.809 . 0 0 "[ . 1]" 1
779 1 56 PRO HG3 1 64 LEU MD2 3.000 . 4.300 1.922 1.872 1.968 0.028 2 0 "[ . 1]" 1
780 1 21 PRO HG2 1 64 LEU MD1 2.300 . 3.200 3.075 2.946 3.210 0.010 4 0 "[ . 1]" 1
781 1 29 ILE HA 1 29 ILE HB 2.600 . 3.600 2.394 2.354 2.438 . 0 0 "[ . 1]" 1
782 1 44 THR HA 1 52 ARG HB2 3.500 . 5.200 5.129 4.349 5.256 0.056 4 0 "[ . 1]" 1
783 1 30 ILE QG 1 41 ILE HA 2.500 . 3.500 3.269 3.058 3.489 . 0 0 "[ . 1]" 1
784 1 44 THR HA 1 52 ARG HB3 4.000 . 5.500 5.440 5.273 5.612 0.112 10 0 "[ . 1]" 1
785 1 25 GLU QB 1 44 THR HA 4.700 . 5.500 4.494 4.333 4.591 . 0 0 "[ . 1]" 1
786 1 47 LYS HA 1 48 LYS HB2 2.800 . 4.500 4.775 4.631 5.292 0.792 7 2 "[ - . + 1]" 1
787 1 64 LEU HA 1 64 LEU HG 2.400 . 3.300 2.567 2.500 2.605 . 0 0 "[ . 1]" 1
788 1 25 GLU HB3 1 44 THR HB 2.200 . 3.000 2.873 2.578 3.007 0.007 10 0 "[ . 1]" 1
789 1 14 ILE HB 1 16 ASN QB 2.100 . 4.500 3.814 2.391 4.338 . 0 0 "[ . 1]" 1
790 1 16 ASN QB 1 61 ILE HG13 3.500 . 5.200 3.588 3.199 3.949 . 0 0 "[ . 1]" 1
791 1 24 LEU QB 1 68 VAL HB 4.800 . 5.500 5.046 4.544 5.940 0.440 9 0 "[ . 1]" 1
792 1 21 PRO QG 1 64 LEU HG 2.400 . 3.300 3.298 3.199 3.385 0.085 8 0 "[ . 1]" 1
793 1 25 GLU HB3 1 26 LYS HG2 1.600 . 2.200 2.265 2.095 3.197 0.997 1 1 "[+ . 1]" 1
794 1 24 LEU QD 1 27 MLE HB2 1.800 . 2.400 2.463 2.412 2.618 0.218 10 0 "[ . 1]" 1
795 1 29 ILE HB 1 29 ILE MG 2.100 . 2.900 2.107 2.088 2.126 . 0 0 "[ . 1]" 1
796 1 43 ALA MB 1 44 THR HA 4.100 . 5.500 3.980 3.728 4.098 . 0 0 "[ . 1]" 1
797 1 41 ILE HA 1 41 ILE QG 2.800 . 4.000 2.547 1.975 3.134 . 0 0 "[ . 1]" 1
798 1 27 MLE HG 1 68 VAL QG 3.500 . 5.200 3.478 1.871 3.928 0.129 9 0 "[ . 1]" 1
799 1 27 MLE HB2 1 68 VAL QG 2.700 . 3.800 1.765 1.714 1.783 0.086 9 0 "[ . 1]" 1
800 1 42 ILE QG 1 42 ILE MG 2.000 . 2.700 2.195 1.945 2.291 . 0 0 "[ . 1]" 1
801 1 29 ILE MD 1 39 VAL QG 2.200 . 3.000 2.864 2.592 3.021 0.021 1 0 "[ . 1]" 1
802 1 27 MLE HA 1 42 ILE MG 3.900 . 5.500 5.074 4.993 5.333 . 0 0 "[ . 1]" 1
803 1 43 ALA HA 1 64 LEU MD1 3.500 . 5.200 4.567 4.311 4.720 . 0 0 "[ . 1]" 1
804 1 30 ILE MG 1 32 ALA HA 4.000 . 5.500 5.235 5.149 5.315 . 0 0 "[ . 1]" 1
805 1 56 PRO HA 1 64 LEU QD 3.300 . 4.900 3.779 3.705 3.940 . 0 0 "[ . 1]" 1
806 1 18 PRO HA 1 19 VAL QG 3.000 . 4.300 4.369 3.945 4.607 0.307 6 0 "[ . 1]" 1
807 1 56 PRO HA 1 61 ILE MD 3.200 . 4.700 2.135 1.919 2.265 . 0 0 "[ . 1]" 1
808 1 61 ILE MD 1 64 LEU HA 3.900 . 5.500 4.125 3.944 4.382 . 0 0 "[ . 1]" 1
809 1 15 SER QB 1 61 ILE MD 4.000 . 5.500 3.656 3.240 4.015 . 0 0 "[ . 1]" 1
810 1 19 VAL QG 1 23 SER HB3 2.600 . 3.600 3.499 1.730 4.180 0.580 5 2 "[ -+ 1]" 1
811 1 56 PRO HG2 1 68 VAL QG 3.800 . 5.500 5.378 5.244 5.513 0.013 4 0 "[ . 1]" 1
812 1 56 PRO HG2 1 61 ILE MD 2.900 . 4.200 3.445 3.210 3.691 . 0 0 "[ . 1]" 1
813 1 19 VAL HB 1 19 VAL QG 1.700 . 2.300 1.879 1.867 1.890 . 0 0 "[ . 1]" 1
814 1 27 MLE HB2 1 41 ILE MG 3.800 . 5.500 4.841 3.749 5.186 . 0 0 "[ . 1]" 1
815 1 41 ILE MG 1 43 ALA MB 2.200 . 3.000 2.231 1.785 2.667 . 0 0 "[ . 1]" 1
816 1 43 ALA MB 1 61 ILE MD 3.700 . 5.500 4.829 4.495 4.981 . 0 0 "[ . 1]" 1
817 1 54 LEU QB 1 61 ILE MD 2.300 . 3.200 2.555 2.417 2.724 . 0 0 "[ . 1]" 1
818 1 29 ILE MD 1 29 ILE QG 1.800 . 2.400 1.851 1.847 1.861 . 0 0 "[ . 1]" 1
819 1 11 CYS HB3 1 53 CYS HA 2.500 . 4.500 4.584 4.262 5.161 0.661 5 2 "[ + - 1]" 1
820 1 42 ILE QG 1 53 CYS HA 3.900 . 5.500 4.603 3.673 5.203 . 0 0 "[ . 1]" 1
821 1 42 ILE MG 1 53 CYS HA 2.700 . 3.800 3.884 3.827 3.942 0.142 5 0 "[ . 1]" 1
822 1 7 VAL HB 1 35 PHE QD 4.900 . 5.500 5.311 4.543 5.542 0.042 8 0 "[ . 1]" 1
823 1 34 GLN HB2 1 35 PHE QD 4.500 . 5.500 4.947 3.968 5.869 0.369 10 0 "[ . 1]" 1
824 1 7 VAL QG 1 35 PHE QE 5.500 . 5.500 5.074 4.547 5.368 . 0 0 "[ . 1]" 1
825 1 9 CYS QB 1 10 THR HB 4.000 . 5.500 5.132 4.271 5.356 . 0 0 "[ . 1]" 1
826 1 61 ILE MD 1 64 LEU QD 1.900 . 2.600 2.038 1.859 2.327 . 0 0 "[ . 1]" 1
827 1 39 VAL QG 1 64 LEU MD2 2.000 . 2.700 2.553 2.392 2.697 . 0 0 "[ . 1]" 1
828 1 29 ILE HB 1 65 LEU HA 2.800 . 4.500 4.309 4.104 4.486 . 0 0 "[ . 1]" 1
829 1 56 PRO QD 1 64 LEU HB3 3.100 . 4.500 3.774 3.693 3.884 . 0 0 "[ . 1]" 1
830 1 29 ILE HA 1 39 VAL QG 3.300 . 4.900 3.004 2.861 3.117 . 0 0 "[ . 1]" 1
831 1 29 ILE MD 1 31 PRO HD2 3.500 . 5.200 5.204 5.115 5.304 0.104 5 0 "[ . 1]" 1
832 1 31 PRO HD2 1 32 ALA MB 3.800 . 5.500 5.321 5.233 5.392 . 0 0 "[ . 1]" 1
833 1 35 PHE HA 1 35 PHE QE 3.500 . 5.200 4.266 4.055 4.503 . 0 0 "[ . 1]" 1
834 1 18 PRO HA 1 18 PRO HD3 3.200 . 4.700 3.411 3.369 3.461 . 0 0 "[ . 1]" 1
835 1 27 MLE HB2 1 29 ILE MG 2.800 . 4.000 3.046 2.699 3.259 . 0 0 "[ . 1]" 1
836 1 43 ALA MB 1 52 ARG HB2 2.200 . 4.500 4.153 3.286 4.304 . 0 0 "[ . 1]" 1
837 1 10 THR H 1 11 CYS HB3 5.500 . 5.500 4.752 4.416 5.115 . 0 0 "[ . 1]" 1
838 1 42 ILE HA 1 52 ARG H 5.000 . 5.500 4.518 4.385 4.663 . 0 0 "[ . 1]" 1
839 1 40 GLU HB3 1 42 ILE H 5.500 . 5.500 4.072 3.823 4.237 . 0 0 "[ . 1]" 1
840 1 40 GLU HB3 1 41 ILE H 5.000 . 5.500 2.811 2.497 2.976 . 0 0 "[ . 1]" 1
841 1 52 ARG H 1 54 LEU HB3 5.500 . 5.500 5.525 5.381 5.609 0.109 7 0 "[ . 1]" 1
842 1 52 ARG H 1 52 ARG HB3 5.000 . 5.500 2.834 2.668 2.931 . 0 0 "[ . 1]" 1
843 1 27 MLE HD11 1 43 ALA H 5.000 . 5.500 3.278 3.054 3.416 . 0 0 "[ . 1]" 1
844 1 39 VAL MG2 1 41 ILE H 5.000 . 5.500 3.933 2.417 4.219 . 0 0 "[ . 1]" 1
845 1 27 MLE HD11 1 41 ILE H 5.000 . 5.500 5.590 5.375 5.934 0.434 2 0 "[ . 1]" 1
846 1 27 MLE HD21 1 42 ILE H 5.000 . 5.500 3.814 3.781 3.903 . 0 0 "[ . 1]" 1
847 1 27 MLE HD11 1 52 ARG H 5.000 . 5.500 4.089 3.933 4.297 . 0 0 "[ . 1]" 1
848 1 16 ASN H 1 19 VAL MG2 5.000 . 5.500 4.931 4.564 5.580 0.080 10 0 "[ . 1]" 1
849 1 15 SER H 1 19 VAL MG2 5.000 . 5.500 5.665 5.338 6.252 0.752 6 1 "[ .+ 1]" 1
850 1 19 VAL MG2 1 20 ASN H 5.000 . 5.500 3.036 2.275 3.921 . 0 0 "[ . 1]" 1
851 1 41 ILE MG 1 55 ASN H 5.000 . 5.500 3.263 3.121 3.476 . 0 0 "[ . 1]" 1
852 1 27 MLE HD11 1 28 GLU H 5.000 . 5.500 3.828 3.074 4.065 . 0 0 "[ . 1]" 1
853 1 61 ILE MD 1 62 LYS H 5.500 . 5.500 3.685 3.591 3.938 . 0 0 "[ . 1]" 1
854 1 8 ARG H 1 10 THR MG 5.000 . 5.500 5.593 5.523 5.765 0.265 8 0 "[ . 1]" 1
855 1 27 MLE HG 1 28 GLU H 5.000 . 5.500 3.756 3.536 4.352 . 0 0 "[ . 1]" 1
856 1 47 LYS QG 1 48 LYS H 5.000 . 5.500 3.720 3.385 3.949 . 0 0 "[ . 1]" 1
857 1 12 ILE H 1 12 ILE HB 5.000 . 5.500 2.364 2.287 2.459 . 0 0 "[ . 1]" 1
858 1 27 MLE HB3 1 28 GLU H 5.000 . 5.500 3.270 2.948 3.616 . 0 0 "[ . 1]" 1
859 1 51 LYS H 1 52 ARG HB2 5.000 . 5.500 4.344 4.112 4.575 . 0 0 "[ . 1]" 1
860 1 39 VAL HB 1 40 GLU H 5.500 . 5.500 3.776 3.689 3.858 . 0 0 "[ . 1]" 1
861 1 8 ARG H 1 8 ARG HA 5.000 . 5.500 2.719 2.510 2.856 . 0 0 "[ . 1]" 1
862 1 29 ILE HA 1 40 GLU H 5.000 . 5.500 4.034 3.921 4.176 . 0 0 "[ . 1]" 1
863 1 20 ASN H 1 21 PRO QD 5.500 . 5.500 4.169 3.924 4.254 . 0 0 "[ . 1]" 1
864 1 20 ASN HA 1 23 SER H 5.000 . 5.500 4.669 4.586 4.782 . 0 0 "[ . 1]" 1
865 1 62 LYS H 1 63 ASN HA 5.000 . 5.500 4.385 4.305 4.419 . 0 0 "[ . 1]" 1
866 1 60 ALA HA 1 62 LYS H 5.400 . 5.500 3.250 3.211 3.279 . 0 0 "[ . 1]" 1
867 1 61 ILE HA 1 62 LYS H 4.300 . 5.500 2.463 2.450 2.475 . 0 0 "[ . 1]" 1
868 1 15 SER QB 1 17 GLN H 5.000 . 5.500 3.865 3.227 4.264 . 0 0 "[ . 1]" 1
869 1 66 LYS HA 1 69 SER H 5.500 . 5.500 3.207 3.165 3.268 . 0 0 "[ . 1]" 1
870 1 12 ILE HA 1 13 SER H 5.500 . 5.500 3.141 3.108 3.170 . 0 0 "[ . 1]" 1
871 1 8 ARG HG2 1 9 CYS H 5.000 . 5.500 3.814 3.170 4.321 . 0 0 "[ . 1]" 1
872 1 23 SER H 1 24 LEU QB 5.000 . 5.500 3.730 3.480 3.951 . 0 0 "[ . 1]" 1
873 1 47 LYS H 1 47 LYS QG 5.000 . 5.500 4.047 3.821 4.264 . 0 0 "[ . 1]" 1
874 1 27 MLE HD11 1 46 LYS H 5.000 . 5.500 4.602 4.459 4.828 . 0 0 "[ . 1]" 1
875 1 9 CYS H 1 10 THR MG 5.500 . 5.500 4.859 4.559 5.345 . 0 0 "[ . 1]" 1
876 1 23 SER H 1 64 LEU MD1 5.000 . 5.500 4.790 4.631 4.907 . 0 0 "[ . 1]" 1
877 1 19 VAL QG 1 23 SER H 5.000 . 5.500 3.858 2.444 4.291 . 0 0 "[ . 1]" 1
878 1 61 ILE MG 1 63 ASN H 5.000 . 5.500 4.245 4.177 4.287 . 0 0 "[ . 1]" 1
879 1 27 MLE HD21 1 67 ALA H 5.000 . 5.500 5.269 4.787 5.762 0.262 8 0 "[ . 1]" 1
880 1 61 ILE MG 1 64 LEU H 5.500 . 5.500 4.122 4.027 4.150 . 0 0 "[ . 1]" 1
881 1 58 SER H 1 61 ILE MD 5.000 . 5.500 3.707 3.425 3.842 . 0 0 "[ . 1]" 1
882 1 10 THR MG 1 35 PHE QD 4.000 . 5.500 3.948 3.328 4.596 . 0 0 "[ . 1]" 1
883 1 24 LEU H 1 24 LEU QB 2.800 . 4.000 2.620 2.428 2.715 . 0 0 "[ . 1]" 1
884 1 8 ARG HG3 1 35 PHE QE 3.400 . 5.000 3.712 2.718 4.701 . 0 0 "[ . 1]" 1
885 1 18 PRO HG2 1 19 VAL H 5.000 . 5.500 4.342 4.208 4.392 . 0 0 "[ . 1]" 1
886 1 7 VAL HA 1 36 CYS H 5.000 . 5.500 4.113 3.883 4.415 . 0 0 "[ . 1]" 1
887 1 16 ASN H 1 19 VAL H 5.500 . 5.500 4.442 3.654 5.332 . 0 0 "[ . 1]" 1
888 1 7 VAL H 1 8 ARG H 5.500 . 5.500 3.705 3.397 3.907 . 0 0 "[ . 1]" 1
889 1 19 VAL H 1 20 ASN H 5.000 . 5.500 3.148 2.286 3.438 . 0 0 "[ . 1]" 1
890 1 19 VAL MG1 1 47 LYS QB 2.000 . 4.500 3.628 3.210 4.092 . 0 0 "[ . 1]" 1
891 1 27 MLE HD11 1 44 THR MG 2.300 . 4.500 4.836 4.615 5.327 0.827 2 2 "[ + . -1]" 1
892 1 29 ILE HA 1 29 ILE MD 2.500 . 3.500 2.794 2.718 2.842 . 0 0 "[ . 1]" 1
893 1 29 ILE HA 1 41 ILE H 5.000 . 5.500 3.946 3.667 4.076 . 0 0 "[ . 1]" 1
894 1 56 PRO HA 1 61 ILE HA 1.800 . 4.500 4.086 3.886 4.199 . 0 0 "[ . 1]" 1
895 1 30 ILE HB 1 32 ALA HA 2.800 . 4.000 4.062 4.016 4.097 0.097 7 0 "[ . 1]" 1
896 1 7 VAL HB 1 8 ARG HA 3.100 . 4.500 3.457 3.093 3.810 . 0 0 "[ . 1]" 1
897 1 26 LYS HB3 1 43 ALA HA 3.400 . 5.000 3.753 3.346 3.911 . 0 0 "[ . 1]" 1
898 1 12 ILE HA 1 12 ILE HB 2.200 . 3.000 2.603 2.340 2.687 . 0 0 "[ . 1]" 1
899 1 9 CYS HA 1 40 GLU HB3 5.000 . 5.500 5.431 5.294 5.515 0.015 4 0 "[ . 1]" 1
900 1 17 GLN HB3 1 20 ASN HA 3.800 . 5.500 4.878 4.700 5.546 0.046 6 0 "[ . 1]" 1
901 1 8 ARG HA 1 8 ARG HG3 2.800 . 4.000 3.022 2.104 3.627 . 0 0 "[ . 1]" 1
902 1 24 LEU HB2 1 64 LEU HA 2.600 . 3.600 2.665 2.273 2.956 . 0 0 "[ . 1]" 1
903 1 24 LEU HB2 1 45 MET HA 3.000 . 4.300 3.204 2.984 3.406 . 0 0 "[ . 1]" 1
904 1 29 ILE HA 1 30 ILE QG 2.800 . 4.000 2.759 2.677 3.007 . 0 0 "[ . 1]" 1
905 1 17 GLN HA 1 60 ALA MB 3.800 . 5.500 5.269 5.015 5.426 . 0 0 "[ . 1]" 1
906 1 24 LEU QD 1 45 MET HA 3.500 . 5.200 4.382 3.589 4.678 . 0 0 "[ . 1]" 1
907 1 25 GLU QG 1 44 THR HB 5.000 . 5.500 4.613 4.216 4.890 . 0 0 "[ . 1]" 1
908 1 21 PRO QB 1 66 LYS HA 3.700 . 5.500 5.622 5.528 5.691 0.191 4 0 "[ . 1]" 1
909 1 21 PRO QG 1 64 LEU HA 2.000 . 2.700 2.008 1.905 2.138 . 0 0 "[ . 1]" 1
910 1 47 LYS QB 1 48 LYS HA 2.200 . 4.500 3.896 3.621 4.095 . 0 0 "[ . 1]" 1
911 1 24 LEU QD 1 65 LEU HA 2.200 . 4.500 4.604 4.515 4.638 0.138 2 0 "[ . 1]" 1
912 1 12 ILE HA 1 12 ILE MG 2.800 . 4.000 1.979 1.884 2.091 . 0 0 "[ . 1]" 1
913 1 19 VAL QG 1 20 ASN QB 3.700 . 5.500 4.468 3.254 4.695 . 0 0 "[ . 1]" 1
914 1 11 CYS HB3 1 42 ILE MG 3.900 . 5.500 5.046 3.966 5.565 0.065 9 0 "[ . 1]" 1
915 1 47 LYS QB 1 48 LYS HA 2.500 . 4.500 3.979 3.675 4.209 . 0 0 "[ . 1]" 1
916 1 17 GLN HB2 1 17 GLN HB3 1.600 . 2.200 1.596 1.576 1.605 . 0 0 "[ . 1]" 1
917 1 21 PRO HB3 1 64 LEU MD1 2.200 . 3.000 2.720 2.571 2.894 . 0 0 "[ . 1]" 1
918 1 56 PRO HG3 1 61 ILE MG 2.300 . 3.200 2.922 2.739 3.042 . 0 0 "[ . 1]" 1
919 1 27 MLE HD11 1 68 VAL HB 5.500 . 5.500 3.732 3.054 4.398 . 0 0 "[ . 1]" 1
920 1 39 VAL QG 1 64 LEU MD2 1.900 . 2.600 2.285 1.743 2.583 . 0 0 "[ . 1]" 1
921 1 30 ILE QG 1 39 VAL MG2 1.800 . 4.500 3.989 2.312 4.648 0.148 7 0 "[ . 1]" 1
922 1 61 ILE HA 1 61 ILE MG 2.000 . 2.700 2.656 2.600 2.699 . 0 0 "[ . 1]" 1
923 1 15 SER QB 1 19 VAL MG2 3.200 . 4.700 4.085 3.822 4.628 . 0 0 "[ . 1]" 1
924 1 19 VAL MG1 1 47 LYS QG 1.800 . 4.500 3.643 2.941 4.172 . 0 0 "[ . 1]" 1
925 1 14 ILE HB 1 61 ILE MG 2.000 . 4.500 4.863 4.255 5.585 1.085 9 2 "[ - . +1]" 1
926 1 24 LEU HB2 1 24 LEU MD1 1.500 . 2.200 1.736 1.657 1.883 . 0 0 "[ . 1]" 1
927 1 24 LEU QD 1 46 LYS HA 3.800 . 5.500 5.560 5.356 5.907 0.407 1 0 "[ . 1]" 1
928 1 19 VAL MG2 1 20 ASN HD22 5.500 . 5.500 4.894 4.200 5.529 0.029 6 0 "[ . 1]" 1
929 1 27 MLE HD21 1 56 PRO QD 2.600 . 3.600 3.786 3.708 3.842 0.242 1 0 "[ . 1]" 1
930 1 45 MET HB3 1 47 LYS QG 4.000 . 5.500 4.049 3.973 4.227 . 0 0 "[ . 1]" 1
931 1 56 PRO QB 1 61 ILE MG 2.200 . 3.000 1.856 1.835 1.868 . 0 0 "[ . 1]" 1
932 1 19 VAL HB 1 19 VAL QG 2.100 . 2.900 1.811 1.709 1.876 . 0 0 "[ . 1]" 1
933 1 7 VAL QG 1 8 ARG HG3 3.300 . 4.900 4.258 3.896 4.774 . 0 0 "[ . 1]" 1
934 1 61 ILE HA 1 64 LEU MD1 2.600 . 3.600 3.104 2.961 3.178 . 0 0 "[ . 1]" 1
935 1 14 ILE HB 1 61 ILE MG 1.900 . 4.500 4.923 4.586 5.125 0.625 6 3 "[ *+ -1]" 1
936 1 30 ILE QG 1 41 ILE H 5.000 . 5.500 3.967 3.830 4.188 . 0 0 "[ . 1]" 1
937 1 62 LYS H 1 62 LYS HA 4.300 . 5.500 2.515 2.498 2.528 . 0 0 "[ . 1]" 1
938 1 39 VAL HB 1 40 GLU H 5.000 . 5.500 3.203 3.100 3.279 . 0 0 "[ . 1]" 1
939 1 41 ILE HB 1 65 LEU H 4.400 . 5.500 5.343 5.078 5.795 0.295 2 0 "[ . 1]" 1
940 1 61 ILE MG 1 62 LYS H 3.900 . 5.500 2.337 2.110 2.460 . 0 0 "[ . 1]" 1
941 1 58 SER H 1 61 ILE HG12 3.700 . 5.500 3.374 2.883 3.654 . 0 0 "[ . 1]" 1
942 1 61 ILE HA 1 64 LEU H 4.300 . 5.500 2.883 2.841 2.942 . 0 0 "[ . 1]" 1
943 1 13 SER H 1 14 ILE HA 5.000 . 5.500 3.960 3.894 4.006 . 0 0 "[ . 1]" 1
944 1 40 GLU HB3 1 53 CYS HA 5.000 . 5.500 5.346 3.875 5.683 0.183 8 0 "[ . 1]" 1
945 1 58 SER HA 1 59 LYS HA 4.700 . 5.500 4.057 4.046 4.075 . 0 0 "[ . 1]" 1
946 1 29 ILE HA 1 64 LEU MD2 2.700 . 3.800 3.791 3.627 3.850 0.050 7 0 "[ . 1]" 1
947 1 26 LYS HB3 1 44 THR HB 2.600 . 3.600 2.044 1.924 2.286 . 0 0 "[ . 1]" 1
948 1 15 SER QB 1 19 VAL MG1 2.900 . 4.200 4.421 3.861 4.567 0.367 3 0 "[ . 1]" 1
949 1 7 VAL QG 1 37 PRO QB 3.300 . 4.900 3.686 2.711 4.149 . 0 0 "[ . 1]" 1
950 1 27 MLE HG 1 43 ALA HA 2.400 . 3.300 1.825 1.692 2.128 0.008 5 0 "[ . 1]" 1
951 1 16 ASN HA 1 19 VAL MG2 3.400 . 5.000 4.631 4.410 4.913 . 0 0 "[ . 1]" 1
952 1 27 MLE HD11 1 44 THR HA 4.700 . 5.500 4.749 4.143 5.314 . 0 0 "[ . 1]" 1
953 1 27 MLE HD11 1 29 ILE HA 2.000 . 4.500 4.605 3.942 4.972 0.472 2 0 "[ . 1]" 1
954 1 61 ILE HA 1 64 LEU HA 2.700 . 4.500 4.104 4.016 4.221 . 0 0 "[ . 1]" 1
955 1 58 SER HA 1 60 ALA MB 4.000 . 5.500 5.339 5.200 5.413 . 0 0 "[ . 1]" 1
956 1 24 LEU HA 1 27 MLE HG 3.300 . 4.900 4.164 3.937 4.400 . 0 0 "[ . 1]" 1
957 1 32 ALA HA 1 39 VAL QG 4.100 . 5.500 5.266 4.990 5.445 . 0 0 "[ . 1]" 1
958 1 14 ILE HA 1 15 SER QB 3.800 . 5.500 3.608 3.451 3.845 . 0 0 "[ . 1]" 1
959 1 65 LEU HA 1 66 LYS HA 2.800 . 4.500 4.443 4.404 4.469 . 0 0 "[ . 1]" 1
960 1 30 ILE QG 1 31 PRO HD2 3.200 . 4.700 3.700 3.611 3.869 . 0 0 "[ . 1]" 1
961 1 26 LYS HB3 1 44 THR HB 3.000 . 4.300 3.222 2.830 3.345 . 0 0 "[ . 1]" 1
962 1 56 PRO HG2 1 62 LYS HA 2.700 . 4.500 4.550 4.473 4.614 0.114 8 0 "[ . 1]" 1
963 1 28 GLU QG 1 29 ILE HA 3.100 . 4.500 4.092 3.857 4.349 . 0 0 "[ . 1]" 1
964 1 7 VAL HB 1 8 ARG HA 3.400 . 5.000 3.654 3.167 4.156 . 0 0 "[ . 1]" 1
965 1 20 ASN HA 1 21 PRO QG 3.800 . 5.500 3.893 3.392 4.069 . 0 0 "[ . 1]" 1
966 1 21 PRO HB3 1 27 MLE HB2 3.900 . 5.500 5.561 5.457 5.667 0.167 7 0 "[ . 1]" 1
967 1 17 GLN HB2 1 19 VAL MG2 2.400 . 3.300 3.404 3.186 3.748 0.448 6 0 "[ . 1]" 1
968 1 19 VAL QG 1 50 GLU QB 1.800 . 4.500 4.244 4.017 4.501 0.001 10 0 "[ . 1]" 1
969 1 30 ILE QG 1 39 VAL QG 1.800 . 4.500 4.120 3.971 4.362 . 0 0 "[ . 1]" 1
970 1 29 ILE MD 1 30 ILE QG 1.900 . 4.500 4.141 4.019 4.371 . 0 0 "[ . 1]" 1
971 1 26 LYS HA 1 44 THR MG 4.400 . 5.500 3.962 3.797 4.094 . 0 0 "[ . 1]" 1
972 1 21 PRO HG2 1 27 MLE HG 2.400 . 4.500 4.649 4.429 4.806 0.306 10 0 "[ . 1]" 1
973 1 27 MLE HD11 1 27 MLE HG 1.800 . 2.400 2.048 1.729 2.401 0.001 3 0 "[ . 1]" 1
974 1 7 VAL QG 1 35 PHE HA 2.700 . 3.800 2.850 2.429 3.296 . 0 0 "[ . 1]" 1
975 1 27 MLE HG 1 64 LEU MD1 2.900 . 4.200 2.509 2.255 2.641 . 0 0 "[ . 1]" 1
976 1 18 PRO HG2 1 19 VAL QG 2.000 . 4.500 3.854 3.716 3.996 . 0 0 "[ . 1]" 1
977 1 19 VAL QG 1 47 LYS QG 1.900 . 4.500 4.100 3.061 4.497 . 0 0 "[ . 1]" 1
978 1 29 ILE MD 1 30 ILE MG 4.900 . 5.500 4.037 3.919 4.123 . 0 0 "[ . 1]" 1
979 1 29 ILE MD 1 32 ALA MB 4.100 . 5.500 5.490 5.289 5.565 0.065 8 0 "[ . 1]" 1
980 1 59 LYS HA 1 60 ALA MB 3.400 . 5.000 3.770 3.687 3.852 . 0 0 "[ . 1]" 1
981 1 19 VAL MG2 1 20 ASN HA 3.400 . 5.000 3.931 3.766 4.334 . 0 0 "[ . 1]" 1
982 1 21 PRO HG2 1 45 MET QG 3.100 . 4.500 4.355 3.982 4.648 0.148 7 0 "[ . 1]" 1
983 1 27 MLE HG 1 29 ILE MG 2.500 . 4.500 3.829 2.799 4.161 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 136
_Distance_constraint_stats_list.Viol_total 149.490
_Distance_constraint_stats_list.Viol_max 0.423
_Distance_constraint_stats_list.Viol_rms 0.0819
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0356
_Distance_constraint_stats_list.Viol_average_violations_only 0.1099
_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 24 LEU 4.542 0.322 10 0 "[ . 1]"
1 26 LYS 0.096 0.043 10 0 "[ . 1]"
1 28 GLU 0.670 0.077 7 0 "[ . 1]"
1 30 ILE 0.284 0.056 8 0 "[ . 1]"
1 32 ALA 0.790 0.150 9 0 "[ . 1]"
1 38 ARG 0.790 0.150 9 0 "[ . 1]"
1 40 GLU 0.284 0.056 8 0 "[ . 1]"
1 41 ILE 0.255 0.050 7 0 "[ . 1]"
1 42 ILE 0.670 0.077 7 0 "[ . 1]"
1 43 ALA 0.543 0.120 5 0 "[ . 1]"
1 44 THR 0.096 0.043 10 0 "[ . 1]"
1 45 MET 1.026 0.108 1 0 "[ . 1]"
1 46 LYS 4.542 0.322 10 0 "[ . 1]"
1 50 GLU 1.026 0.108 1 0 "[ . 1]"
1 52 ARG 0.543 0.120 5 0 "[ . 1]"
1 54 LEU 0.255 0.050 7 0 "[ . 1]"
1 60 ALA 1.694 0.207 9 0 "[ . 1]"
1 61 ILE 3.957 0.423 6 0 "[ . 1]"
1 62 LYS 0.049 0.023 8 0 "[ . 1]"
1 63 ASN 0.973 0.123 8 0 "[ . 1]"
1 64 LEU 1.694 0.207 9 0 "[ . 1]"
1 65 LEU 4.029 0.423 6 0 "[ . 1]"
1 66 LYS 0.049 0.023 8 0 "[ . 1]"
1 67 ALA 0.973 0.123 8 0 "[ . 1]"
1 68 VAL 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.072 0.018 8 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 60 ALA O 1 64 LEU H 2.200 . 2.400 2.569 2.505 2.607 0.207 9 0 "[ . 1]" 2
2 1 60 ALA O 1 64 LEU N 3.300 2.500 3.500 3.306 3.195 3.377 . 0 0 "[ . 1]" 2
3 1 61 ILE O 1 65 LEU H 2.200 . 2.400 2.796 2.778 2.823 0.423 6 0 "[ . 1]" 2
4 1 61 ILE O 1 65 LEU N 3.300 2.500 5.500 3.637 3.617 3.662 . 0 0 "[ . 1]" 2
5 1 62 LYS O 1 66 LYS H 2.200 . 2.400 2.284 2.174 2.423 0.023 8 0 "[ . 1]" 2
6 1 62 LYS O 1 66 LYS N 3.300 2.500 3.500 3.132 2.978 3.327 . 0 0 "[ . 1]" 2
7 1 63 ASN O 1 67 ALA H 2.200 . 2.400 1.603 1.577 1.633 0.123 8 0 "[ . 1]" 2
8 1 63 ASN O 1 67 ALA N 3.300 2.500 5.500 2.512 2.501 2.526 . 0 0 "[ . 1]" 2
9 1 64 LEU O 1 68 VAL H 2.200 . 2.400 2.156 1.935 2.322 . 0 0 "[ . 1]" 2
10 1 64 LEU O 1 68 VAL N 3.300 2.500 3.500 2.933 2.845 3.037 . 0 0 "[ . 1]" 2
11 1 65 LEU O 1 69 SER H 2.200 . 2.400 2.379 2.258 2.418 0.018 8 0 "[ . 1]" 2
12 1 65 LEU O 1 69 SER N 3.300 2.500 5.500 3.201 3.034 3.353 . 0 0 "[ . 1]" 2
13 1 32 ALA O 1 38 ARG H 2.200 . 2.400 2.477 2.418 2.550 0.150 9 0 "[ . 1]" 2
14 1 32 ALA O 1 38 ARG N 3.300 2.500 3.500 3.176 3.095 3.333 . 0 0 "[ . 1]" 2
15 1 32 ALA H 1 38 ARG O 2.200 . 2.400 2.210 2.018 2.420 0.020 1 0 "[ . 1]" 2
16 1 32 ALA N 1 38 ARG O 3.300 2.500 3.500 2.945 2.760 3.170 . 0 0 "[ . 1]" 2
17 1 30 ILE O 1 40 GLU H 2.200 . 2.400 1.824 1.644 2.055 0.056 8 0 "[ . 1]" 2
18 1 30 ILE O 1 40 GLU N 3.300 2.500 3.500 2.770 2.581 2.995 . 0 0 "[ . 1]" 2
19 1 30 ILE H 1 40 GLU O 2.200 . 2.400 1.688 1.655 1.731 0.045 6 0 "[ . 1]" 2
20 1 30 ILE N 1 40 GLU O 3.300 2.500 3.500 2.519 2.495 2.553 0.005 10 0 "[ . 1]" 2
21 1 28 GLU O 1 42 ILE H 2.200 . 2.400 2.417 2.388 2.462 0.062 9 0 "[ . 1]" 2
22 1 28 GLU O 1 42 ILE N 3.300 2.500 3.500 3.316 3.286 3.367 . 0 0 "[ . 1]" 2
23 1 28 GLU H 1 42 ILE O 2.200 . 2.400 2.446 2.424 2.477 0.077 7 0 "[ . 1]" 2
24 1 28 GLU N 1 42 ILE O 3.300 2.500 3.500 3.395 3.336 3.433 . 0 0 "[ . 1]" 2
25 1 26 LYS O 1 44 THR H 2.200 . 2.400 2.220 2.056 2.440 0.040 2 0 "[ . 1]" 2
26 1 26 LYS O 1 44 THR N 3.300 2.500 3.500 2.910 2.763 3.009 . 0 0 "[ . 1]" 2
27 1 26 LYS H 1 44 THR O 2.200 . 2.400 2.164 1.816 2.443 0.043 10 0 "[ . 1]" 2
28 1 26 LYS N 1 44 THR O 3.300 2.500 3.500 2.989 2.651 3.232 . 0 0 "[ . 1]" 2
29 1 24 LEU H 1 46 LYS O 2.200 . 2.400 2.670 2.559 2.722 0.322 1 0 "[ . 1]" 2
30 1 24 LEU N 1 46 LYS O 3.300 2.500 3.500 3.380 3.326 3.414 . 0 0 "[ . 1]" 2
31 1 24 LEU O 1 46 LYS H 2.200 . 2.400 2.584 2.479 2.722 0.322 10 0 "[ . 1]" 2
32 1 24 LEU O 1 46 LYS N 3.300 2.500 3.500 3.240 3.076 3.413 . 0 0 "[ . 1]" 2
33 1 41 ILE O 1 54 LEU H 2.200 . 2.400 2.399 2.294 2.450 0.050 7 0 "[ . 1]" 2
34 1 41 ILE O 1 54 LEU N 3.300 2.500 3.500 3.052 2.931 3.339 . 0 0 "[ . 1]" 2
35 1 43 ALA O 1 52 ARG H 2.200 . 2.400 1.649 1.580 1.693 0.120 5 0 "[ . 1]" 2
36 1 43 ALA O 1 52 ARG N 3.300 2.500 3.500 2.569 2.515 2.629 . 0 0 "[ . 1]" 2
37 1 43 ALA H 1 52 ARG O 2.200 . 2.400 1.890 1.813 2.067 . 0 0 "[ . 1]" 2
38 1 43 ALA N 1 52 ARG O 3.300 2.500 3.500 2.531 2.470 2.679 0.030 10 0 "[ . 1]" 2
39 1 45 MET O 1 50 GLU H 2.200 . 2.400 2.485 2.442 2.508 0.108 1 0 "[ . 1]" 2
40 1 45 MET O 1 50 GLU N 3.300 2.500 3.500 3.405 3.373 3.448 . 0 0 "[ . 1]" 2
41 1 45 MET H 1 50 GLU O 2.200 . 2.400 1.709 1.646 1.840 0.054 6 0 "[ . 1]" 2
42 1 45 MET N 1 50 GLU O 3.300 2.500 3.500 2.617 2.530 2.698 . 0 0 "[ . 1]" 2
stop_
save_
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