NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463371 |
2kg4   |
15855 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kg4
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 1062
_Distance_constraint_stats_list.Viol_count 5118
_Distance_constraint_stats_list.Viol_total 22193.928
_Distance_constraint_stats_list.Viol_max 0.820
_Distance_constraint_stats_list.Viol_rms 0.1309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0522
_Distance_constraint_stats_list.Viol_average_violations_only 0.2168
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.110 0.110 20 0 "[ . 1 . 2]"
1 4 GLU 0.961 0.149 6 0 "[ . 1 . 2]"
1 5 GLU 2.199 0.168 18 0 "[ . 1 . 2]"
1 6 PHE 9.051 0.501 18 1 "[ . 1 . + 2]"
1 7 SER 0.194 0.164 18 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.343 0.128 16 0 "[ . 1 . 2]"
1 10 GLU 0.362 0.128 16 0 "[ . 1 . 2]"
1 11 GLN 0.221 0.122 7 0 "[ . 1 . 2]"
1 13 THR 0.063 0.041 3 0 "[ . 1 . 2]"
1 14 GLU 0.185 0.093 10 0 "[ . 1 . 2]"
1 15 ARG 18.898 0.652 6 16 "[****.+ ******** ***]"
1 16 MET 21.556 0.684 14 17 "[*** *****1***+***- *]"
1 17 ASP 18.647 0.557 6 11 "[** .+** * ** * -* 2]"
1 18 LYS 23.200 0.652 6 16 "[****.+ ******** ***]"
1 19 VAL 44.244 0.684 14 17 "[*** *****1***+***- *]"
1 20 GLY 20.109 0.625 14 15 "[* *-**** *** +**** 2]"
1 21 ASP 46.563 0.738 11 20 [**********+*******-*]
1 22 ALA 30.503 0.611 16 18 "[***** -**** ***+****]"
1 23 LEU 27.960 0.511 7 1 "[ . + 1 . 2]"
1 24 GLU 39.547 0.632 4 17 "[* *+******** ***** *]"
1 25 GLU 49.055 0.738 11 20 [**********+*******-*]
1 26 VAL 30.889 0.611 16 18 "[***** -**** ***+****]"
1 27 LEU 24.595 0.555 12 4 "[ .*- 1 + . * 2]"
1 28 SER 34.460 0.632 4 14 "[* +**- ** * ***** *]"
1 29 LYS 44.633 0.672 8 20 [*******+*******-****]
1 30 ALA 27.193 0.732 5 20 [****+************-**]
1 31 LEU 28.036 0.632 12 5 "[ .** 1 + *. * 2]"
1 32 SER 13.735 0.566 1 4 "[+ . - * *. 2]"
1 33 GLN 28.929 0.640 12 17 "[ **********+**.-* **]"
1 34 ARG 37.628 0.732 5 20 [****+******-********]
1 35 THR 1.701 0.143 13 0 "[ . 1 . 2]"
1 36 ILE 1.960 0.143 13 0 "[ . 1 . 2]"
1 37 THR 26.835 0.544 10 8 "[ * . **-+ ** *2]"
1 38 VAL 2.553 0.169 1 0 "[ . 1 . 2]"
1 39 GLY 6.379 0.306 20 0 "[ . 1 . 2]"
1 40 VAL 2.456 0.262 8 0 "[ . 1 . 2]"
1 41 TYR 1.690 0.199 12 0 "[ . 1 . 2]"
1 42 GLU 8.970 0.557 18 2 "[ . - 1 . + 2]"
1 43 ALA 20.968 0.692 12 17 "[******* ***+*-*** *2]"
1 44 ALA 17.073 0.604 17 9 "[* *-** * .*+ *]"
1 45 LYS 18.671 0.693 2 16 "[*+ *****1******* *-]"
1 46 LEU 10.867 0.557 18 2 "[ . - 1 . + 2]"
1 47 LEU 22.459 0.692 12 18 "[******* ***+*-*** **]"
1 48 ASN 18.605 0.604 17 9 "[* *-** * .*+ *]"
1 49 VAL 16.974 0.693 2 16 "[*+ *****1******* *-]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 1.731 0.108 4 0 "[ . 1 . 2]"
1 53 ASN 3.243 0.129 11 0 "[ . 1 . 2]"
1 54 VAL 6.204 0.820 19 5 "[* -. * 1* . +2]"
1 55 VAL 2.217 0.185 11 0 "[ . 1 . 2]"
1 56 LEU 31.480 0.582 2 6 "[ + *. *- 1** . 2]"
1 57 CYS 34.665 0.694 1 16 "[+***.** **- **.*****]"
1 58 LEU 18.511 0.468 18 0 "[ . 1 . 2]"
1 59 LEU 28.255 0.668 6 12 "[ *+* ** ****-**]"
1 60 ALA 11.486 0.561 18 2 "[ - 1 . + 2]"
1 61 ALA 16.479 0.562 3 4 "[* + . 1 . -*2]"
1 62 ASP 0.824 0.123 6 0 "[ . 1 . 2]"
1 63 GLU 0.521 0.077 12 0 "[ . 1 . 2]"
1 64 ASP 3.274 0.155 13 0 "[ . 1 . 2]"
1 65 ASP 5.160 0.155 13 0 "[ . 1 . 2]"
1 66 ASP 2.272 0.143 9 0 "[ . 1 . 2]"
1 67 ARG 1.631 0.129 14 0 "[ . 1 . 2]"
1 68 ASP 14.987 0.562 14 3 "[ * - 1 +. 2]"
1 69 VAL 16.623 0.552 15 8 "[-** ** *1 + * 2]"
1 70 ALA 10.568 0.421 12 0 "[ . 1 . 2]"
1 71 LEU 12.688 0.379 20 0 "[ . 1 . 2]"
1 72 GLN 31.032 0.596 1 11 "[+ * * * ** -** * *]"
1 73 ILE 21.299 0.552 15 8 "[-** ** *1 + * 2]"
1 74 HIS 26.744 0.566 17 7 "[ .** 1 - .*+**2]"
1 75 PHE 34.911 0.660 5 15 "[****+****1** .-* **]"
1 76 THR 32.631 0.596 1 9 "[+ . * ** *** * -]"
1 77 LEU 28.387 0.663 15 19 [*********1*-**+*****]
1 78 ILE 23.486 0.566 17 8 "[ .** 1 *- .*+**2]"
1 79 GLN 35.364 0.660 5 16 "[****+******* .-* **]"
1 80 ALA 38.716 0.685 18 20 [*****************+*-]
1 81 PHE 26.686 0.663 15 19 [*********1*-**+*****]
1 82 CYS 8.642 0.520 12 1 "[ . 1 + . 2]"
1 83 CYS 13.299 0.550 10 2 "[- . + . 2]"
1 84 GLU 30.145 0.685 18 20 [***-*************+**]
1 85 ASN 2.149 0.154 15 0 "[ . 1 . 2]"
1 86 ASP 7.512 0.820 19 5 "[* -. * 1* . +2]"
1 87 ILE 6.217 0.378 19 0 "[ . 1 . 2]"
1 88 ASN 25.188 0.694 1 15 "[+***.** *1- **.*****]"
1 89 ILE 2.906 0.218 4 0 "[ . 1 . 2]"
1 90 LEU 33.364 0.668 6 12 "[ *+* ** ****-**]"
1 91 ARG 43.204 0.680 14 18 "[* **********+******]"
1 92 VAL 20.546 0.562 3 4 "[* + . 1 . -*2]"
1 93 SER 8.374 0.313 19 0 "[ . 1 . 2]"
1 94 ASN 23.047 0.719 18 13 "[** ** *- * *** +**]"
1 95 PRO 6.694 0.475 12 0 "[ . 1 . 2]"
1 96 GLY 11.625 0.604 3 3 "[ + . * 1 -. 2]"
1 97 ARG 34.649 0.719 18 14 "[*** ** *- * *** +**]"
1 98 LEU 4.945 0.317 11 0 "[ . 1 . 2]"
1 99 ALA 8.665 0.475 12 0 "[ . 1 . 2]"
1 100 GLU 12.170 0.604 3 3 "[ + . * 1 -. 2]"
1 101 LEU 13.510 0.523 3 1 "[ + . 1 . 2]"
1 102 LEU 3.764 0.148 9 0 "[ . 1 . 2]"
1 103 LEU 2.404 0.177 14 0 "[ . 1 . 2]"
1 104 LEU 3.774 0.244 3 0 "[ . 1 . 2]"
1 105 GLU 3.122 0.353 8 0 "[ . 1 . 2]"
1 106 THR 2.059 0.257 17 0 "[ . 1 . 2]"
1 107 ASP 0.783 0.160 20 0 "[ . 1 . 2]"
1 108 ALA 4.547 0.353 8 0 "[ . 1 . 2]"
1 109 GLY 0.781 0.321 8 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.696 0.245 2 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.255 0.112 11 0 "[ . 1 . 2]"
1 114 GLU 0.081 0.053 18 0 "[ . 1 . 2]"
1 115 GLY 0.762 0.110 6 0 "[ . 1 . 2]"
1 116 ALA 1.087 0.146 2 0 "[ . 1 . 2]"
1 117 GLU 1.436 0.146 2 0 "[ . 1 . 2]"
1 118 GLN 0.247 0.072 5 0 "[ . 1 . 2]"
1 121 ASP 1.445 0.173 3 0 "[ . 1 . 2]"
1 123 HIS 13.183 0.561 18 2 "[ - 1 . + 2]"
1 124 CYS 6.614 0.306 20 0 "[ . 1 . 2]"
1 125 VAL 18.156 0.468 18 0 "[ . 1 . 2]"
1 126 LEU 26.008 0.544 10 8 "[ * . **-+ ** *2]"
1 127 VAL 30.289 0.582 2 6 "[ + *. *- 1** . 2]"
1 128 THR 7.047 0.301 6 0 "[ . 1 . 2]"
1 129 ASN 4.659 0.204 11 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 TRP 7.738 0.204 11 0 "[ . 1 . 2]"
1 137 ASP 12.372 0.548 7 4 "[ * . +* - . 2]"
1 138 PRO 16.974 0.535 19 7 "[ -*** 1 ** +2]"
1 139 ALA 17.236 0.520 2 2 "[ + . 1 - 2]"
1 140 LEU 14.567 0.453 2 0 "[ . 1 . 2]"
1 141 SER 25.793 0.548 7 6 "[ - . +* ** . * 2]"
1 142 GLN 29.385 0.535 19 7 "[ -*** 1 ** +2]"
1 143 LEU 27.601 0.520 2 2 "[ + . 1 - 2]"
1 144 ILE 20.473 0.550 10 2 "[ - + . 2]"
1 145 CYS 33.281 0.628 5 15 "[*-**+ ***** *.* ***]"
1 146 PHE 31.055 0.564 6 4 "[- .+ * *. 2]"
1 147 CYS 18.228 0.553 17 1 "[ . 1 . + 2]"
1 148 ARG 26.338 0.631 13 6 "[ * * +*.* * 2]"
1 149 GLU 20.015 0.628 5 13 "[* **+ ***** *.- **]"
1 150 SER 15.135 0.564 6 4 "[- .+ * *. 2]"
1 151 ARG 8.528 0.553 17 1 "[ . 1 . + 2]"
1 152 TYR 17.001 0.631 13 5 "[ * 1 +*.* * 2]"
1 153 MET 1.399 0.275 17 0 "[ . 1 . 2]"
1 154 ASP 1.114 0.120 15 0 "[ . 1 . 2]"
1 155 GLN 1.096 0.115 3 0 "[ . 1 . 2]"
1 156 TRP 1.019 0.085 1 0 "[ . 1 . 2]"
1 157 VAL 2.579 0.118 13 0 "[ . 1 . 2]"
1 158 PRO 18.387 0.647 7 12 "[ **+***** -* **2]"
1 159 VAL 1.517 0.175 5 0 "[ . 1 . 2]"
1 160 ILE 31.977 0.680 14 18 "[* **********+***-**]"
1 161 ASN 0.385 0.088 20 0 "[ . 1 . 2]"
1 162 LEU 2.776 0.330 6 0 "[ . 1 . 2]"
1 163 PRO 0.369 0.153 5 0 "[ . 1 . 2]"
1 164 GLU 1.779 0.159 5 0 "[ . 1 . 2]"
1 165 ARG 2.361 0.159 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 3 LEU H . . 3.300 2.366 2.131 3.292 . 0 0 "[ . 1 . 2]" 1
2 1 3 LEU HB2 1 4 GLU H . . 5.000 4.165 2.681 4.724 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU HA 1 4 GLU H . . 3.300 2.249 2.092 3.122 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU HA 1 5 GLU H . . 5.500 3.744 3.226 5.610 0.110 20 0 "[ . 1 . 2]" 1
5 1 4 GLU HA 1 5 GLU H . . 3.300 3.130 2.096 3.362 0.062 5 0 "[ . 1 . 2]" 1
6 1 4 GLU HB2 1 5 GLU H . . 5.000 4.189 3.167 4.691 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU HA 1 6 PHE H . . 5.500 5.316 3.844 5.649 0.149 6 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU HG2 . . 5.500 2.570 1.999 4.568 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU HB2 1 6 PHE H . . 3.300 3.356 2.938 3.468 0.168 18 0 "[ . 1 . 2]" 1
10 1 5 GLU HA 1 7 SER H . . 5.500 4.985 3.599 5.664 0.164 18 0 "[ . 1 . 2]" 1
11 1 6 PHE HB2 1 6 PHE HD2 . . 2.900 2.762 2.319 3.019 0.119 11 0 "[ . 1 . 2]" 1
12 1 6 PHE HB3 1 6 PHE HD2 . . 2.900 2.570 2.294 2.991 0.091 18 0 "[ . 1 . 2]" 1
13 1 6 PHE HB2 1 6 PHE HE1 . . 5.000 5.268 5.082 5.501 0.501 18 1 "[ . 1 . + 2]" 1
14 1 7 SER HB2 1 8 ALA H . . 5.500 3.941 2.407 4.580 . 0 0 "[ . 1 . 2]" 1
15 1 8 ALA H 1 8 ALA MB . . 3.300 2.743 2.671 2.806 . 0 0 "[ . 1 . 2]" 1
16 1 8 ALA MB 1 9 GLY H . . 5.500 2.323 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
17 1 8 ALA MB 1 9 GLY HA2 . . 5.000 3.775 3.607 4.069 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLY HA2 1 10 GLU H . . 2.900 2.285 2.144 2.509 . 0 0 "[ . 1 . 2]" 1
19 1 9 GLY HA3 1 10 GLU H . . 3.300 2.979 2.581 3.428 0.128 16 0 "[ . 1 . 2]" 1
20 1 10 GLU H 1 10 GLU HB2 . . 3.300 2.956 2.654 3.307 0.007 2 0 "[ . 1 . 2]" 1
21 1 10 GLU H 1 10 GLU HG2 . . 5.000 4.520 3.532 4.840 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLN H 1 11 GLN HB2 . . 3.300 2.963 2.369 3.422 0.122 7 0 "[ . 1 . 2]" 1
23 1 11 GLN H 1 11 GLN HG2 . . 5.000 4.472 3.535 4.963 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLN HA 1 13 THR H . . 5.500 4.732 3.447 5.541 0.041 3 0 "[ . 1 . 2]" 1
25 1 13 THR HB 1 14 GLU H . . 5.500 3.012 2.093 4.525 . 0 0 "[ . 1 . 2]" 1
26 1 13 THR MG 1 14 GLU H . . 5.000 3.306 2.137 3.682 . 0 0 "[ . 1 . 2]" 1
27 1 13 THR H 1 14 GLU H . . 5.500 4.399 3.655 4.632 . 0 0 "[ . 1 . 2]" 1
28 1 15 ARG O 1 18 LYS H . . 1.800 2.380 2.229 2.452 0.652 6 16 "[****.+ -******* ***]" 1
29 1 15 ARG O 1 18 LYS N . . 2.700 3.065 2.953 3.210 0.510 6 1 "[ .+ 1 . 2]" 1
30 1 16 MET O 1 19 VAL H . . 1.800 2.373 2.133 2.484 0.684 14 17 "[*** ****-1***+**** *]" 1
31 1 16 MET O 1 19 VAL N . . 2.700 3.205 3.040 3.267 0.567 1 13 "[+** *** 1* * ***- *]" 1
32 1 17 ASP O 1 21 ASP H . . 1.800 2.181 1.984 2.260 0.460 6 0 "[ . 1 . 2]" 1
33 1 17 ASP O 1 21 ASP N . . 2.700 3.174 2.974 3.257 0.557 6 11 "[** .+** * ** * -* 2]" 1
34 1 17 ASP H 1 17 ASP HB3 . . 2.900 2.587 2.487 2.709 . 0 0 "[ . 1 . 2]" 1
35 1 17 ASP H 1 18 LYS H . . 5.000 2.728 2.592 2.812 . 0 0 "[ . 1 . 2]" 1
36 1 17 ASP HB2 1 18 LYS H . . 5.000 3.948 3.790 4.094 . 0 0 "[ . 1 . 2]" 1
37 1 17 ASP HB3 1 18 LYS H . . 5.000 4.149 4.077 4.249 . 0 0 "[ . 1 . 2]" 1
38 1 17 ASP HB2 1 19 VAL H . . 5.500 5.557 5.500 5.592 0.092 3 0 "[ . 1 . 2]" 1
39 1 17 ASP HA 1 19 VAL H . . 5.500 4.063 3.906 4.207 . 0 0 "[ . 1 . 2]" 1
40 1 17 ASP H 1 20 GLY H . . 5.500 5.448 5.105 5.568 0.068 6 0 "[ . 1 . 2]" 1
41 1 17 ASP HB2 1 20 GLY H . . 5.500 5.230 5.007 5.435 . 0 0 "[ . 1 . 2]" 1
42 1 18 LYS O 1 22 ALA H . . 1.800 1.872 1.797 1.919 0.119 3 0 "[ . 1 . 2]" 1
43 1 18 LYS O 1 22 ALA N . . 2.700 2.843 2.774 2.885 0.185 20 0 "[ . 1 . 2]" 1
44 1 18 LYS H 1 18 LYS HB2 . . 3.300 2.287 2.076 2.539 . 0 0 "[ . 1 . 2]" 1
45 1 18 LYS H 1 18 LYS HG2 . . 5.000 4.074 2.850 4.726 . 0 0 "[ . 1 . 2]" 1
46 1 18 LYS H 1 19 VAL H . . 5.000 2.720 2.674 2.765 . 0 0 "[ . 1 . 2]" 1
47 1 18 LYS HB2 1 19 VAL H . . 5.500 3.661 3.137 4.154 . 0 0 "[ . 1 . 2]" 1
48 1 18 LYS H 1 20 GLY H . . 5.500 4.470 4.347 4.606 . 0 0 "[ . 1 . 2]" 1
49 1 18 LYS HA 1 20 GLY H . . 5.500 4.387 4.166 4.512 . 0 0 "[ . 1 . 2]" 1
50 1 18 LYS HA 1 21 ASP HB2 . . 5.000 3.049 2.818 3.383 . 0 0 "[ . 1 . 2]" 1
51 1 18 LYS HA 1 21 ASP HB3 . . 5.000 2.455 2.299 2.721 . 0 0 "[ . 1 . 2]" 1
52 1 18 LYS HA 1 22 ALA H . . 5.000 3.579 3.378 3.709 . 0 0 "[ . 1 . 2]" 1
53 1 19 VAL O 1 23 LEU H . . 1.800 2.135 1.952 2.298 0.498 17 0 "[ . 1 . 2]" 1
54 1 19 VAL O 1 23 LEU N . . 2.700 3.054 2.914 3.186 0.486 17 0 "[ . 1 . 2]" 1
55 1 19 VAL H 1 19 VAL HB . . 3.300 2.477 2.291 2.613 . 0 0 "[ . 1 . 2]" 1
56 1 19 VAL H 1 19 VAL MG2 . . 3.300 1.956 1.873 2.200 . 0 0 "[ . 1 . 2]" 1
57 1 19 VAL H 1 20 GLY H . . 2.900 2.758 2.645 2.861 . 0 0 "[ . 1 . 2]" 1
58 1 19 VAL HB 1 20 GLY H . . 3.300 2.418 2.313 2.549 . 0 0 "[ . 1 . 2]" 1
59 1 19 VAL MG1 1 20 GLY H . . 5.500 3.455 3.293 3.615 . 0 0 "[ . 1 . 2]" 1
60 1 19 VAL MG2 1 20 GLY H . . 5.000 3.776 3.684 3.914 . 0 0 "[ . 1 . 2]" 1
61 1 19 VAL H 1 21 ASP H . . 5.500 4.205 4.084 4.310 . 0 0 "[ . 1 . 2]" 1
62 1 19 VAL HA 1 22 ALA H . . 5.000 3.856 3.653 4.036 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL HB 1 22 ALA H . . 5.500 5.623 5.560 5.664 0.164 2 0 "[ . 1 . 2]" 1
64 1 19 VAL MG1 1 22 ALA MB . . 5.500 3.994 3.823 4.151 . 0 0 "[ . 1 . 2]" 1
65 1 19 VAL MG2 1 22 ALA MB . . 5.500 4.336 3.998 4.480 . 0 0 "[ . 1 . 2]" 1
66 1 19 VAL HA 1 22 ALA MB . . 3.300 2.645 2.392 2.818 . 0 0 "[ . 1 . 2]" 1
67 1 19 VAL MG1 1 23 LEU MD1 . . 5.500 4.860 4.136 5.535 0.035 14 0 "[ . 1 . 2]" 1
68 1 19 VAL MG1 1 23 LEU MD2 . . 5.500 4.121 3.335 4.921 . 0 0 "[ . 1 . 2]" 1
69 1 20 GLY O 1 24 GLU H . . 1.800 2.237 2.008 2.344 0.544 14 4 "[- . * 1 +. * 2]" 1
70 1 20 GLY O 1 24 GLU N . . 2.700 3.222 3.017 3.325 0.625 14 15 "[* *-**** *** +**** 2]" 1
71 1 20 GLY H 1 21 ASP H . . 2.900 2.544 2.442 2.739 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLY HA3 1 22 ALA H . . 5.500 4.891 4.752 5.022 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLY H 1 22 ALA H . . 5.500 4.121 3.997 4.271 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLY HA2 1 23 LEU H . . 5.000 3.377 3.190 3.584 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLY HA3 1 23 LEU H . . 5.000 4.603 4.487 4.786 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLY HA2 1 23 LEU HB2 . . 5.000 3.249 2.786 3.366 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLY HA3 1 23 LEU HB2 . . 5.000 4.974 4.446 5.080 0.080 2 0 "[ . 1 . 2]" 1
78 1 21 ASP O 1 25 GLU H . . 1.800 2.493 2.417 2.538 0.738 11 20 [**-*******+*********] 1
79 1 21 ASP O 1 25 GLU N . . 2.700 3.234 3.168 3.293 0.593 18 19 "[************* ***+-*]" 1
80 1 21 ASP H 1 21 ASP HB2 . . 2.900 2.280 2.210 2.420 . 0 0 "[ . 1 . 2]" 1
81 1 21 ASP H 1 21 ASP HB3 . . 2.900 2.632 2.488 2.698 . 0 0 "[ . 1 . 2]" 1
82 1 21 ASP H 1 22 ALA H . . 5.000 2.742 2.706 2.795 . 0 0 "[ . 1 . 2]" 1
83 1 21 ASP HB2 1 22 ALA H . . 3.300 3.495 3.469 3.539 0.239 8 0 "[ . 1 . 2]" 1
84 1 21 ASP HB3 1 22 ALA H . . 3.300 2.211 2.118 2.286 . 0 0 "[ . 1 . 2]" 1
85 1 21 ASP HA 1 23 LEU H . . 5.000 4.503 4.393 4.668 . 0 0 "[ . 1 . 2]" 1
86 1 21 ASP HA 1 25 GLU H . . 5.000 4.800 4.652 4.883 . 0 0 "[ . 1 . 2]" 1
87 1 22 ALA O 1 26 VAL H . . 1.800 2.241 2.168 2.323 0.523 8 2 "[ . + 1 .- 2]" 1
88 1 22 ALA O 1 26 VAL N . . 2.700 3.243 3.164 3.311 0.611 16 18 "[***** -**** ***+****]" 1
89 1 22 ALA H 1 22 ALA MB . . 2.900 2.219 2.187 2.235 . 0 0 "[ . 1 . 2]" 1
90 1 22 ALA H 1 23 LEU H . . 2.900 2.897 2.831 2.939 0.039 4 0 "[ . 1 . 2]" 1
91 1 22 ALA MB 1 23 LEU H . . 5.000 2.630 2.489 2.753 . 0 0 "[ . 1 . 2]" 1
92 1 22 ALA MB 1 24 GLU H . . 5.500 4.771 4.621 4.933 . 0 0 "[ . 1 . 2]" 1
93 1 22 ALA HA 1 25 GLU HB3 . . 3.300 3.017 2.753 3.185 . 0 0 "[ . 1 . 2]" 1
94 1 22 ALA MB 1 25 GLU H . . 5.000 4.569 4.360 4.674 . 0 0 "[ . 1 . 2]" 1
95 1 22 ALA HA 1 26 VAL H . . 5.500 4.310 4.026 4.521 . 0 0 "[ . 1 . 2]" 1
96 1 23 LEU O 1 27 LEU H . . 1.800 2.036 1.872 2.199 0.399 7 0 "[ . 1 . 2]" 1
97 1 23 LEU O 1 27 LEU N . . 2.700 3.034 2.870 3.211 0.511 7 1 "[ . + 1 . 2]" 1
98 1 23 LEU H 1 23 LEU HB2 . . 3.300 2.414 2.095 2.554 . 0 0 "[ . 1 . 2]" 1
99 1 23 LEU H 1 23 LEU HG . . 5.000 4.444 4.383 4.496 . 0 0 "[ . 1 . 2]" 1
100 1 23 LEU H 1 23 LEU MD1 . . 5.000 4.098 3.796 4.286 . 0 0 "[ . 1 . 2]" 1
101 1 23 LEU H 1 23 LEU MD2 . . 5.000 4.126 3.595 4.235 . 0 0 "[ . 1 . 2]" 1
102 1 23 LEU H 1 24 GLU H . . 2.900 2.832 2.740 2.931 0.031 10 0 "[ . 1 . 2]" 1
103 1 23 LEU HB2 1 24 GLU H . . 5.500 3.831 3.399 3.983 . 0 0 "[ . 1 . 2]" 1
104 1 23 LEU HA 1 25 GLU H . . 5.500 4.019 3.907 4.168 . 0 0 "[ . 1 . 2]" 1
105 1 23 LEU HA 1 26 VAL H . . 5.000 3.753 3.508 4.068 . 0 0 "[ . 1 . 2]" 1
106 1 24 GLU O 1 28 SER H . . 1.800 2.292 2.008 2.404 0.604 17 13 "[* **** *- * **+* *]" 1
107 1 24 GLU O 1 28 SER N . . 2.700 3.181 2.891 3.332 0.632 4 12 "[* +*-* ** * **** 2]" 1
108 1 24 GLU H 1 24 GLU HG2 . . 3.300 2.958 2.220 3.424 0.124 1 0 "[ . 1 . 2]" 1
109 1 24 GLU H 1 25 GLU H . . 3.300 2.787 2.675 2.909 . 0 0 "[ . 1 . 2]" 1
110 1 24 GLU HB2 1 25 GLU H . . 5.000 4.085 2.926 4.492 . 0 0 "[ . 1 . 2]" 1
111 1 24 GLU HG2 1 25 GLU H . . 5.000 3.710 2.813 5.086 0.086 8 0 "[ . 1 . 2]" 1
112 1 24 GLU HA 1 26 VAL H . . 5.000 4.726 4.403 4.997 . 0 0 "[ . 1 . 2]" 1
113 1 25 GLU O 1 29 LYS H . . 1.800 2.263 2.112 2.364 0.564 20 4 "[ - * * 1 . +]" 1
114 1 25 GLU O 1 29 LYS N . . 2.700 3.252 3.118 3.372 0.672 8 18 "[*******+-******* * *]" 1
115 1 25 GLU H 1 25 GLU HB2 . . 3.300 2.607 2.451 2.698 . 0 0 "[ . 1 . 2]" 1
116 1 25 GLU H 1 25 GLU HG2 . . 5.000 4.584 4.502 4.672 . 0 0 "[ . 1 . 2]" 1
117 1 25 GLU H 1 26 VAL H . . 3.300 2.523 2.410 2.687 . 0 0 "[ . 1 . 2]" 1
118 1 25 GLU H 1 27 LEU H . . 5.500 3.937 3.723 4.256 . 0 0 "[ . 1 . 2]" 1
119 1 25 GLU H 1 28 SER H . . 5.500 4.693 4.492 4.907 . 0 0 "[ . 1 . 2]" 1
120 1 25 GLU HA 1 28 SER H . . 5.500 3.622 3.366 3.903 . 0 0 "[ . 1 . 2]" 1
121 1 25 GLU HA 1 29 LYS H . . 5.500 4.466 4.151 4.662 . 0 0 "[ . 1 . 2]" 1
122 1 26 VAL O 1 30 ALA H . . 1.800 1.928 1.782 2.244 0.444 18 0 "[ . 1 . 2]" 1
123 1 26 VAL O 1 30 ALA N . . 2.700 2.917 2.780 3.225 0.525 18 1 "[ . 1 . + 2]" 1
124 1 26 VAL H 1 26 VAL HB . . 3.300 2.475 2.339 2.628 . 0 0 "[ . 1 . 2]" 1
125 1 26 VAL H 1 26 VAL MG2 . . 3.300 2.146 2.005 2.318 . 0 0 "[ . 1 . 2]" 1
126 1 26 VAL H 1 27 LEU H . . 3.300 2.808 2.691 2.970 . 0 0 "[ . 1 . 2]" 1
127 1 26 VAL HB 1 27 LEU H . . 5.000 2.559 2.445 2.656 . 0 0 "[ . 1 . 2]" 1
128 1 26 VAL MG1 1 27 LEU H . . 3.300 3.339 3.307 3.387 0.087 18 0 "[ . 1 . 2]" 1
129 1 26 VAL MG2 1 27 LEU H . . 5.000 3.905 3.780 4.002 . 0 0 "[ . 1 . 2]" 1
130 1 26 VAL HA 1 28 SER H . . 5.000 4.359 4.224 4.484 . 0 0 "[ . 1 . 2]" 1
131 1 26 VAL H 1 29 LYS H . . 5.500 4.977 4.885 5.089 . 0 0 "[ . 1 . 2]" 1
132 1 26 VAL HA 1 29 LYS H . . 5.500 3.477 3.232 3.772 . 0 0 "[ . 1 . 2]" 1
133 1 26 VAL HA 1 30 ALA H . . 5.500 4.042 3.717 4.505 . 0 0 "[ . 1 . 2]" 1
134 1 27 LEU O 1 31 LEU H . . 1.800 2.062 1.842 2.319 0.519 17 1 "[ . 1 . + 2]" 1
135 1 27 LEU O 1 31 LEU N . . 2.700 3.050 2.837 3.255 0.555 12 4 "[ .*- 1 + . * 2]" 1
136 1 27 LEU H 1 27 LEU HB2 . . 3.300 2.195 2.078 2.519 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU H 1 27 LEU MD1 . . 5.000 4.284 4.112 4.445 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU H 1 27 LEU MD2 . . 5.000 3.296 2.485 4.257 . 0 0 "[ . 1 . 2]" 1
139 1 27 LEU MD1 1 28 SER H . . 5.000 4.169 3.173 4.764 . 0 0 "[ . 1 . 2]" 1
140 1 27 LEU MD2 1 28 SER H . . 5.000 4.635 4.225 4.859 . 0 0 "[ . 1 . 2]" 1
141 1 27 LEU HB2 1 28 SER H . . 5.000 3.535 2.926 4.056 . 0 0 "[ . 1 . 2]" 1
142 1 27 LEU H 1 28 SER H . . 3.300 2.864 2.811 2.931 . 0 0 "[ . 1 . 2]" 1
143 1 27 LEU H 1 29 LYS H . . 5.500 4.492 4.387 4.711 . 0 0 "[ . 1 . 2]" 1
144 1 27 LEU HA 1 29 LYS H . . 5.500 4.597 4.321 4.840 . 0 0 "[ . 1 . 2]" 1
145 1 27 LEU MD1 1 30 ALA H . . 5.500 4.797 4.206 5.514 0.014 4 0 "[ . 1 . 2]" 1
146 1 27 LEU MD2 1 30 ALA H . . 5.000 4.768 4.297 5.050 0.050 16 0 "[ . 1 . 2]" 1
147 1 27 LEU H 1 30 ALA H . . 5.000 4.790 4.625 4.953 . 0 0 "[ . 1 . 2]" 1
148 1 27 LEU HA 1 31 LEU H . . 5.000 3.886 3.602 4.210 . 0 0 "[ . 1 . 2]" 1
149 1 28 SER O 1 32 SER H . . 1.800 2.061 1.864 2.291 0.491 1 0 "[ . 1 . 2]" 1
150 1 28 SER O 1 32 SER N . . 2.700 3.033 2.857 3.266 0.566 1 4 "[+ . - * *. 2]" 1
151 1 28 SER H 1 29 LYS H . . 2.900 2.803 2.661 2.909 0.009 5 0 "[ . 1 . 2]" 1
152 1 28 SER HB2 1 29 LYS H . . 5.500 3.293 2.272 4.197 . 0 0 "[ . 1 . 2]" 1
153 1 28 SER H 1 30 ALA H . . 5.500 4.214 4.032 4.426 . 0 0 "[ . 1 . 2]" 1
154 1 29 LYS O 1 33 GLN H . . 1.800 2.325 2.057 2.440 0.640 12 15 "[ ********* +**.-* *]" 1
155 1 29 LYS O 1 33 GLN N . . 2.700 3.188 2.947 3.272 0.572 17 11 "[ ***- * ** .*+ **]" 1
156 1 29 LYS H 1 30 ALA H . . 3.300 2.825 2.686 2.990 . 0 0 "[ . 1 . 2]" 1
157 1 29 LYS HB2 1 30 ALA H . . 5.500 2.525 2.315 2.787 . 0 0 "[ . 1 . 2]" 1
158 1 29 LYS HA 1 31 LEU H . . 5.500 4.707 4.467 4.887 . 0 0 "[ . 1 . 2]" 1
159 1 29 LYS HA 1 32 SER HB2 . . 3.300 3.012 2.487 3.324 0.024 6 0 "[ . 1 . 2]" 1
160 1 29 LYS H 1 33 GLN HE21 . . 5.500 5.551 5.513 5.616 0.116 2 0 "[ . 1 . 2]" 1
161 1 30 ALA O 1 34 ARG H . . 1.800 2.464 2.386 2.532 0.732 5 20 [****+**-************] 1
162 1 30 ALA O 1 34 ARG N . . 2.700 3.029 2.901 3.159 0.459 2 0 "[ . 1 . 2]" 1
163 1 30 ALA H 1 30 ALA MB . . 2.900 2.171 2.131 2.241 . 0 0 "[ . 1 . 2]" 1
164 1 30 ALA H 1 31 LEU H . . 3.300 2.849 2.719 3.022 . 0 0 "[ . 1 . 2]" 1
165 1 30 ALA MB 1 31 LEU H . . 5.000 2.524 2.239 2.725 . 0 0 "[ . 1 . 2]" 1
166 1 30 ALA H 1 32 SER H . . 5.500 4.153 4.023 4.273 . 0 0 "[ . 1 . 2]" 1
167 1 30 ALA HA 1 33 GLN H . . 5.500 3.524 3.122 3.723 . 0 0 "[ . 1 . 2]" 1
168 1 30 ALA H 1 33 GLN HE21 . . 5.500 4.389 3.978 4.957 . 0 0 "[ . 1 . 2]" 1
169 1 30 ALA HA 1 34 ARG H . . 5.500 4.633 4.459 4.773 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU O 1 34 ARG H . . 1.800 2.185 2.026 2.432 0.632 12 2 "[ . 1 + -. 2]" 1
171 1 31 LEU O 1 34 ARG N . . 2.700 3.018 2.888 3.231 0.531 14 2 "[ . 1 - +. 2]" 1
172 1 31 LEU H 1 31 LEU HB2 . . 3.300 2.507 2.373 2.631 . 0 0 "[ . 1 . 2]" 1
173 1 31 LEU H 1 31 LEU HG . . 5.000 4.472 4.388 4.571 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU H 1 31 LEU MD1 . . 5.000 4.139 3.958 4.235 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU H 1 31 LEU MD2 . . 5.000 4.295 4.155 4.490 . 0 0 "[ . 1 . 2]" 1
176 1 31 LEU H 1 32 SER H . . 3.300 2.764 2.601 2.860 . 0 0 "[ . 1 . 2]" 1
177 1 31 LEU HB2 1 32 SER H . . 5.000 3.968 3.839 4.117 . 0 0 "[ . 1 . 2]" 1
178 1 31 LEU MD1 1 32 SER H . . 5.500 4.704 4.440 5.237 . 0 0 "[ . 1 . 2]" 1
179 1 31 LEU MD2 1 32 SER H . . 5.500 4.238 3.677 4.699 . 0 0 "[ . 1 . 2]" 1
180 1 31 LEU H 1 33 GLN H . . 5.500 4.273 3.960 4.553 . 0 0 "[ . 1 . 2]" 1
181 1 31 LEU HA 1 34 ARG H . . 5.500 3.125 2.836 3.287 . 0 0 "[ . 1 . 2]" 1
182 1 31 LEU HA 1 34 ARG QB . . 5.000 4.819 3.908 5.107 0.107 15 0 "[ . 1 . 2]" 1
183 1 32 SER H 1 32 SER HB2 . . 3.300 2.426 2.206 2.678 . 0 0 "[ . 1 . 2]" 1
184 1 32 SER H 1 33 GLN H . . 5.000 2.890 2.693 3.049 . 0 0 "[ . 1 . 2]" 1
185 1 32 SER HA 1 34 ARG H . . 5.500 4.099 3.811 4.223 . 0 0 "[ . 1 . 2]" 1
186 1 33 GLN H 1 33 GLN HB2 . . 3.300 3.184 2.375 3.608 0.308 13 0 "[ . 1 . 2]" 1
187 1 33 GLN H 1 33 GLN HG2 . . 3.300 2.358 1.932 3.463 0.163 11 0 "[ . 1 . 2]" 1
188 1 33 GLN HA 1 34 ARG HA . . 5.000 5.148 5.056 5.237 0.237 2 0 "[ . 1 . 2]" 1
189 1 33 GLN HB2 1 34 ARG H . . 5.000 3.874 3.100 4.449 . 0 0 "[ . 1 . 2]" 1
190 1 33 GLN HB3 1 34 ARG H . . 5.000 4.281 4.080 4.401 . 0 0 "[ . 1 . 2]" 1
191 1 33 GLN HG2 1 34 ARG H . . 5.500 3.879 3.154 5.133 . 0 0 "[ . 1 . 2]" 1
192 1 33 GLN H 1 35 THR H . . 5.500 4.248 3.839 4.670 . 0 0 "[ . 1 . 2]" 1
193 1 33 GLN HB2 1 35 THR H . . 5.500 4.006 2.491 5.384 . 0 0 "[ . 1 . 2]" 1
194 1 33 GLN HG2 1 35 THR H . . 5.500 4.190 3.323 5.560 0.060 11 0 "[ . 1 . 2]" 1
195 1 34 ARG H 1 34 ARG HG2 . . 3.300 3.144 2.697 3.431 0.131 14 0 "[ . 1 . 2]" 1
196 1 34 ARG H 1 35 THR H . . 5.000 2.896 2.734 3.133 . 0 0 "[ . 1 . 2]" 1
197 1 34 ARG HA 1 35 THR H . . 3.300 2.693 2.430 2.837 . 0 0 "[ . 1 . 2]" 1
198 1 34 ARG HA 1 36 ILE H . . 5.500 3.718 3.115 4.487 . 0 0 "[ . 1 . 2]" 1
199 1 34 ARG H 1 36 ILE MG . . 5.500 4.654 3.764 5.519 0.019 13 0 "[ . 1 . 2]" 1
200 1 35 THR H 1 35 THR MG . . 3.300 2.750 2.270 3.158 . 0 0 "[ . 1 . 2]" 1
201 1 35 THR H 1 36 ILE H . . 5.000 2.756 2.214 3.478 . 0 0 "[ . 1 . 2]" 1
202 1 35 THR HA 1 36 ILE H . . 2.900 2.788 2.149 3.043 0.143 13 0 "[ . 1 . 2]" 1
203 1 36 ILE H 1 36 ILE MD . . 5.000 4.079 1.890 4.994 . 0 0 "[ . 1 . 2]" 1
204 1 36 ILE H 1 36 ILE MG . . 3.300 2.547 1.833 3.207 . 0 0 "[ . 1 . 2]" 1
205 1 36 ILE MD 1 37 THR H . . 5.500 3.891 2.840 4.486 . 0 0 "[ . 1 . 2]" 1
206 1 36 ILE MG 1 37 THR H . . 5.000 3.709 3.193 4.255 . 0 0 "[ . 1 . 2]" 1
207 1 36 ILE H 1 37 THR H . . 5.500 4.492 4.325 4.624 . 0 0 "[ . 1 . 2]" 1
208 1 36 ILE HA 1 37 THR H . . 2.900 2.286 2.166 2.434 . 0 0 "[ . 1 . 2]" 1
209 1 36 ILE HB 1 37 THR H . . 5.500 3.346 2.097 4.274 . 0 0 "[ . 1 . 2]" 1
210 1 38 VAL H 1 38 VAL MG1 . . 3.300 2.535 2.339 3.026 . 0 0 "[ . 1 . 2]" 1
211 1 38 VAL HA 1 39 GLY H . . 2.900 2.245 2.091 2.389 . 0 0 "[ . 1 . 2]" 1
212 1 38 VAL H 1 39 GLY H . . 5.500 4.344 4.238 4.434 . 0 0 "[ . 1 . 2]" 1
213 1 38 VAL MG1 1 39 GLY H . . 5.000 3.847 3.610 4.045 . 0 0 "[ . 1 . 2]" 1
214 1 38 VAL MG2 1 39 GLY H . . 5.000 2.469 2.238 3.282 . 0 0 "[ . 1 . 2]" 1
215 1 40 VAL H 1 41 TYR H . . 3.300 2.752 2.446 3.009 . 0 0 "[ . 1 . 2]" 1
216 1 41 TYR H 1 41 TYR HD1 . . 5.000 4.507 4.281 4.814 . 0 0 "[ . 1 . 2]" 1
217 1 41 TYR HA 1 41 TYR HD1 . . 5.000 2.561 2.217 2.922 . 0 0 "[ . 1 . 2]" 1
218 1 42 GLU O 1 46 LEU H . . 1.800 1.949 1.826 2.289 0.489 18 0 "[ . 1 . 2]" 1
219 1 42 GLU O 1 46 LEU N . . 2.700 2.942 2.820 3.257 0.557 18 2 "[ . - 1 . + 2]" 1
220 1 43 ALA O 1 47 LEU H . . 1.800 2.278 2.028 2.391 0.591 12 11 "[** ** * ***+*-. 2]" 1
221 1 43 ALA O 1 47 LEU N . . 2.700 3.271 3.044 3.392 0.692 12 17 "[******* ***+****- *2]" 1
222 1 44 ALA O 1 48 ASN H . . 1.800 2.237 2.036 2.404 0.604 17 8 "[* ***- 1 .*+ *]" 1
223 1 44 ALA O 1 48 ASN N . . 2.700 3.117 2.905 3.248 0.548 20 5 "[* .- * . * +]" 1
224 1 44 ALA H 1 44 ALA MB . . 3.300 2.224 2.195 2.238 . 0 0 "[ . 1 . 2]" 1
225 1 44 ALA MB 1 45 LYS H . . 5.000 2.515 2.342 2.665 . 0 0 "[ . 1 . 2]" 1
226 1 44 ALA H 1 45 LYS H . . 5.500 2.788 2.672 2.912 . 0 0 "[ . 1 . 2]" 1
227 1 44 ALA H 1 46 LEU H . . 5.500 4.350 4.054 4.673 . 0 0 "[ . 1 . 2]" 1
228 1 45 LYS O 1 49 VAL H . . 1.800 2.357 1.970 2.493 0.693 2 16 "[*+ *****1******* *-]" 1
229 1 45 LYS O 1 49 VAL N . . 2.700 2.978 2.866 3.137 0.437 2 0 "[ . 1 . 2]" 1
230 1 45 LYS H 1 45 LYS HB2 . . 3.300 2.161 2.015 3.344 0.044 10 0 "[ . 1 . 2]" 1
231 1 45 LYS H 1 45 LYS HB3 . . 3.300 3.266 2.100 3.473 0.173 4 0 "[ . 1 . 2]" 1
232 1 45 LYS H 1 45 LYS QG . . 3.300 3.169 2.666 3.511 0.211 12 0 "[ . 1 . 2]" 1
233 1 45 LYS H 1 46 LEU H . . 3.300 2.846 2.667 3.007 . 0 0 "[ . 1 . 2]" 1
234 1 45 LYS HB2 1 46 LEU H . . 5.000 3.122 2.634 4.200 . 0 0 "[ . 1 . 2]" 1
235 1 45 LYS HB3 1 46 LEU H . . 5.000 2.965 2.646 3.432 . 0 0 "[ . 1 . 2]" 1
236 1 45 LYS QG 1 46 LEU H . . 5.000 4.323 2.411 4.572 . 0 0 "[ . 1 . 2]" 1
237 1 45 LYS HA 1 48 ASN HB2 . . 5.000 2.704 2.356 3.112 . 0 0 "[ . 1 . 2]" 1
238 1 46 LEU H 1 46 LEU HB2 . . 3.300 3.061 2.270 3.504 0.204 9 0 "[ . 1 . 2]" 1
239 1 46 LEU H 1 46 LEU HG . . 5.000 3.587 2.313 4.550 . 0 0 "[ . 1 . 2]" 1
240 1 46 LEU H 1 46 LEU MD1 . . 5.000 3.989 2.182 4.437 . 0 0 "[ . 1 . 2]" 1
241 1 46 LEU H 1 46 LEU MD2 . . 5.000 3.725 3.075 4.333 . 0 0 "[ . 1 . 2]" 1
242 1 46 LEU H 1 48 ASN HB2 . . 5.500 5.294 5.002 5.564 0.064 18 0 "[ . 1 . 2]" 1
243 1 46 LEU HA 1 49 VAL HB . . 5.000 3.625 2.356 5.130 0.130 12 0 "[ . 1 . 2]" 1
244 1 48 ASN H 1 48 ASN HB2 . . 3.300 2.185 2.085 2.424 . 0 0 "[ . 1 . 2]" 1
245 1 48 ASN H 1 48 ASN HB3 . . 3.300 3.208 2.648 3.457 0.157 20 0 "[ . 1 . 2]" 1
246 1 48 ASN H 1 49 VAL H . . 2.900 2.696 2.481 2.930 0.030 2 0 "[ . 1 . 2]" 1
247 1 48 ASN H 1 50 ASP H . . 5.000 4.525 4.297 4.773 . 0 0 "[ . 1 . 2]" 1
248 1 49 VAL H 1 50 ASP H . . 3.300 2.274 2.076 2.604 . 0 0 "[ . 1 . 2]" 1
249 1 50 ASP H 1 51 PRO HD2 . . 5.500 3.716 3.481 4.158 . 0 0 "[ . 1 . 2]" 1
250 1 50 ASP H 1 51 PRO HD3 . . 5.500 2.860 2.639 3.364 . 0 0 "[ . 1 . 2]" 1
251 1 50 ASP HA 1 52 ASP H . . 5.000 3.794 3.331 4.438 . 0 0 "[ . 1 . 2]" 1
252 1 50 ASP HA 1 53 ASN H . . 5.500 3.628 3.271 4.128 . 0 0 "[ . 1 . 2]" 1
253 1 51 PRO HD2 1 52 ASP H . . 5.000 3.002 2.814 3.233 . 0 0 "[ . 1 . 2]" 1
254 1 51 PRO HD3 1 52 ASP H . . 5.500 4.058 3.940 4.176 . 0 0 "[ . 1 . 2]" 1
255 1 51 PRO HA 1 53 ASN H . . 5.000 4.461 4.053 4.934 . 0 0 "[ . 1 . 2]" 1
256 1 51 PRO HA 1 54 VAL H . . 5.000 4.152 3.791 4.503 . 0 0 "[ . 1 . 2]" 1
257 1 52 ASP H 1 52 ASP HB2 . . 3.300 2.205 2.073 2.434 . 0 0 "[ . 1 . 2]" 1
258 1 52 ASP H 1 53 ASN H . . 3.300 2.346 2.115 2.670 . 0 0 "[ . 1 . 2]" 1
259 1 52 ASP HB2 1 53 ASN H . . 3.300 3.114 2.682 3.387 0.087 16 0 "[ . 1 . 2]" 1
260 1 52 ASP HB3 1 53 ASN H . . 3.300 3.372 3.314 3.408 0.108 4 0 "[ . 1 . 2]" 1
261 1 52 ASP HA 1 54 VAL H . . 5.000 4.255 3.720 4.683 . 0 0 "[ . 1 . 2]" 1
262 1 53 ASN H 1 53 ASN HB2 . . 2.900 2.335 2.163 2.660 . 0 0 "[ . 1 . 2]" 1
263 1 53 ASN HB2 1 54 VAL H . . 5.000 3.266 2.794 3.736 . 0 0 "[ . 1 . 2]" 1
264 1 53 ASN HB3 1 54 VAL H . . 5.500 3.874 3.058 4.322 . 0 0 "[ . 1 . 2]" 1
265 1 53 ASN H 1 54 VAL H . . 5.500 2.584 2.247 2.929 . 0 0 "[ . 1 . 2]" 1
266 1 54 VAL H 1 55 VAL H . . 5.500 4.581 3.720 4.733 . 0 0 "[ . 1 . 2]" 1
267 1 54 VAL HA 1 55 VAL H . . 3.300 2.216 2.072 2.397 . 0 0 "[ . 1 . 2]" 1
268 1 54 VAL MG1 1 55 VAL H . . 5.000 3.695 2.749 4.321 . 0 0 "[ . 1 . 2]" 1
269 1 54 VAL MG2 1 55 VAL H . . 5.000 3.339 2.237 4.454 . 0 0 "[ . 1 . 2]" 1
270 1 55 VAL H 1 56 LEU H . . 5.500 2.259 2.029 3.265 . 0 0 "[ . 1 . 2]" 1
271 1 55 VAL MG1 1 56 LEU H . . 3.300 2.697 2.279 3.387 0.087 11 0 "[ . 1 . 2]" 1
272 1 55 VAL MG2 1 56 LEU H . . 5.500 3.884 3.574 4.207 . 0 0 "[ . 1 . 2]" 1
273 1 56 LEU H 1 56 LEU HG . . 5.500 4.335 2.705 4.877 . 0 0 "[ . 1 . 2]" 1
274 1 56 LEU H 1 56 LEU MD1 . . 5.000 4.205 2.262 4.963 . 0 0 "[ . 1 . 2]" 1
275 1 56 LEU H 1 56 LEU MD2 . . 5.000 4.390 3.137 4.903 . 0 0 "[ . 1 . 2]" 1
276 1 56 LEU HG 1 57 CYS H . . 5.000 3.652 2.142 4.765 . 0 0 "[ . 1 . 2]" 1
277 1 56 LEU MD1 1 57 CYS H . . 5.000 3.078 1.962 4.674 . 0 0 "[ . 1 . 2]" 1
278 1 56 LEU MD2 1 57 CYS H . . 5.500 4.171 2.785 4.799 . 0 0 "[ . 1 . 2]" 1
279 1 56 LEU MD2 1 57 CYS HA . . 5.500 4.884 3.128 5.642 0.142 18 0 "[ . 1 . 2]" 1
280 1 57 CYS H 1 58 LEU H . . 5.500 4.515 4.374 4.600 . 0 0 "[ . 1 . 2]" 1
281 1 57 CYS HB2 1 58 LEU H . . 5.500 4.239 2.699 4.686 . 0 0 "[ . 1 . 2]" 1
282 1 57 CYS HB3 1 58 LEU H . . 5.500 3.906 3.191 4.490 . 0 0 "[ . 1 . 2]" 1
283 1 57 CYS HA 1 58 LEU H . . 3.300 2.197 2.104 2.284 . 0 0 "[ . 1 . 2]" 1
284 1 58 LEU H 1 58 LEU MD1 . . 5.000 3.854 3.398 4.461 . 0 0 "[ . 1 . 2]" 1
285 1 58 LEU H 1 58 LEU MD2 . . 3.300 2.822 2.328 3.524 0.224 5 0 "[ . 1 . 2]" 1
286 1 58 LEU H 1 59 LEU H . . 5.000 4.158 3.987 4.397 . 0 0 "[ . 1 . 2]" 1
287 1 58 LEU HA 1 59 LEU H . . 3.300 2.140 2.089 2.260 . 0 0 "[ . 1 . 2]" 1
288 1 58 LEU MD1 1 59 LEU H . . 5.500 3.535 2.522 4.101 . 0 0 "[ . 1 . 2]" 1
289 1 58 LEU MD2 1 59 LEU H . . 5.500 4.640 3.788 5.186 . 0 0 "[ . 1 . 2]" 1
290 1 59 LEU H 1 59 LEU MD1 . . 5.000 3.871 3.143 4.209 . 0 0 "[ . 1 . 2]" 1
291 1 59 LEU H 1 59 LEU MD2 . . 3.300 3.059 2.088 3.379 0.079 9 0 "[ . 1 . 2]" 1
292 1 59 LEU HB2 1 59 LEU MD1 . . 3.300 2.734 2.311 3.309 0.009 20 0 "[ . 1 . 2]" 1
293 1 59 LEU H 1 60 ALA H . . 5.500 4.561 4.390 4.636 . 0 0 "[ . 1 . 2]" 1
294 1 60 ALA H 1 60 ALA MB . . 3.300 2.459 2.364 2.581 . 0 0 "[ . 1 . 2]" 1
295 1 60 ALA MB 1 61 ALA H . . 5.500 3.457 3.092 3.640 . 0 0 "[ . 1 . 2]" 1
296 1 61 ALA H 1 61 ALA MB . . 3.300 2.254 2.193 2.486 . 0 0 "[ . 1 . 2]" 1
297 1 61 ALA MB 1 62 ASP H . . 5.000 3.327 3.140 3.579 . 0 0 "[ . 1 . 2]" 1
298 1 62 ASP H 1 62 ASP HB2 . . 3.300 2.501 2.235 3.199 . 0 0 "[ . 1 . 2]" 1
299 1 62 ASP H 1 63 GLU H . . 5.500 4.665 4.577 4.748 . 0 0 "[ . 1 . 2]" 1
300 1 62 ASP HB2 1 63 GLU H . . 5.000 3.776 3.181 4.124 . 0 0 "[ . 1 . 2]" 1
301 1 62 ASP HB3 1 63 GLU H . . 3.300 2.959 2.450 3.377 0.077 12 0 "[ . 1 . 2]" 1
302 1 62 ASP HA 1 64 ASP H . . 5.500 4.239 3.796 4.654 . 0 0 "[ . 1 . 2]" 1
303 1 62 ASP H 1 65 ASP H . . 5.000 3.829 3.513 4.336 . 0 0 "[ . 1 . 2]" 1
304 1 63 GLU H 1 63 GLU HB2 . . 3.300 2.403 2.125 2.574 . 0 0 "[ . 1 . 2]" 1
305 1 63 GLU H 1 63 GLU HG2 . . 5.000 3.989 2.550 4.551 . 0 0 "[ . 1 . 2]" 1
306 1 63 GLU H 1 64 ASP H . . 5.000 2.639 2.423 2.778 . 0 0 "[ . 1 . 2]" 1
307 1 63 GLU HB2 1 64 ASP H . . 5.000 3.201 2.480 3.892 . 0 0 "[ . 1 . 2]" 1
308 1 63 GLU HB3 1 64 ASP H . . 5.000 3.232 2.562 3.894 . 0 0 "[ . 1 . 2]" 1
309 1 63 GLU HA 1 66 ASP H . . 5.000 3.831 3.522 4.176 . 0 0 "[ . 1 . 2]" 1
310 1 64 ASP H 1 64 ASP HB2 . . 2.900 2.366 2.196 2.477 . 0 0 "[ . 1 . 2]" 1
311 1 64 ASP H 1 64 ASP HB3 . . 2.900 2.636 2.558 2.768 . 0 0 "[ . 1 . 2]" 1
312 1 64 ASP HA 1 65 ASP H . . 3.300 3.419 3.387 3.455 0.155 13 0 "[ . 1 . 2]" 1
313 1 65 ASP HA 1 66 ASP H . . 3.300 3.414 3.366 3.443 0.143 9 0 "[ . 1 . 2]" 1
314 1 65 ASP HA 1 67 ARG H . . 5.000 3.543 3.341 3.799 . 0 0 "[ . 1 . 2]" 1
315 1 65 ASP HA 1 68 ASP H . . 5.500 3.163 2.781 3.755 . 0 0 "[ . 1 . 2]" 1
316 1 66 ASP H 1 66 ASP HB2 . . 3.300 2.462 2.369 2.576 . 0 0 "[ . 1 . 2]" 1
317 1 66 ASP H 1 66 ASP HB3 . . 3.300 2.600 2.395 2.696 . 0 0 "[ . 1 . 2]" 1
318 1 66 ASP H 1 67 ARG H . . 3.300 2.703 2.507 2.801 . 0 0 "[ . 1 . 2]" 1
319 1 67 ARG H 1 68 ASP H . . 3.300 2.348 2.023 2.692 . 0 0 "[ . 1 . 2]" 1
320 1 67 ARG HA 1 68 ASP H . . 3.300 3.286 3.182 3.429 0.129 14 0 "[ . 1 . 2]" 1
321 1 68 ASP O 1 72 GLN H . . 1.800 2.072 1.901 2.276 0.476 14 0 "[ . 1 . 2]" 1
322 1 68 ASP O 1 72 GLN N . . 2.700 3.069 2.909 3.262 0.562 14 3 "[ * - 1 +. 2]" 1
323 1 68 ASP H 1 68 ASP HB2 . . 3.300 2.868 2.668 3.546 0.246 14 0 "[ . 1 . 2]" 1
324 1 68 ASP H 1 68 ASP HB3 . . 3.300 2.724 2.589 3.392 0.092 14 0 "[ . 1 . 2]" 1
325 1 68 ASP H 1 69 VAL H . . 5.500 3.898 3.684 4.244 . 0 0 "[ . 1 . 2]" 1
326 1 68 ASP HA 1 69 VAL H . . 2.900 2.243 2.147 2.377 . 0 0 "[ . 1 . 2]" 1
327 1 68 ASP HB3 1 69 VAL H . . 5.500 4.502 4.322 4.592 . 0 0 "[ . 1 . 2]" 1
328 1 68 ASP HA 1 70 ALA H . . 5.500 3.513 3.407 3.688 . 0 0 "[ . 1 . 2]" 1
329 1 68 ASP H 1 70 ALA H . . 5.500 5.552 5.520 5.589 0.089 12 0 "[ . 1 . 2]" 1
330 1 68 ASP H 1 71 LEU H . . 5.500 5.489 5.294 5.555 0.055 11 0 "[ . 1 . 2]" 1
331 1 69 VAL O 1 73 ILE H . . 1.800 2.151 1.906 2.251 0.451 13 0 "[ . 1 . 2]" 1
332 1 69 VAL O 1 73 ILE N . . 2.700 3.135 2.897 3.252 0.552 15 8 "[-** ** *1 + * 2]" 1
333 1 69 VAL H 1 69 VAL MG1 . . 2.900 2.322 2.156 3.007 0.107 8 0 "[ . 1 . 2]" 1
334 1 69 VAL H 1 69 VAL MG2 . . 2.900 2.284 2.110 3.106 0.206 4 0 "[ . 1 . 2]" 1
335 1 69 VAL H 1 70 ALA H . . 3.300 2.870 2.813 2.965 . 0 0 "[ . 1 . 2]" 1
336 1 69 VAL HB 1 70 ALA H . . 5.000 3.939 3.661 4.048 . 0 0 "[ . 1 . 2]" 1
337 1 69 VAL MG1 1 70 ALA H . . 5.000 3.928 2.571 4.210 . 0 0 "[ . 1 . 2]" 1
338 1 69 VAL MG2 1 70 ALA H . . 5.000 2.824 2.439 4.352 . 0 0 "[ . 1 . 2]" 1
339 1 70 ALA O 1 74 HIS H . . 1.800 1.982 1.874 2.126 0.326 8 0 "[ . 1 . 2]" 1
340 1 70 ALA O 1 74 HIS N . . 2.700 2.965 2.840 3.121 0.421 12 0 "[ . 1 . 2]" 1
341 1 70 ALA H 1 70 ALA MB . . 2.900 2.266 2.210 2.293 . 0 0 "[ . 1 . 2]" 1
342 1 70 ALA H 1 71 LEU H . . 3.300 2.636 2.514 2.859 . 0 0 "[ . 1 . 2]" 1
343 1 70 ALA MB 1 71 LEU H . . 5.000 2.395 2.329 2.451 . 0 0 "[ . 1 . 2]" 1
344 1 70 ALA MB 1 71 LEU MD1 . . 5.500 4.761 3.656 5.541 0.041 12 0 "[ . 1 . 2]" 1
345 1 70 ALA MB 1 71 LEU MD2 . . 5.500 5.489 4.769 5.570 0.070 5 0 "[ . 1 . 2]" 1
346 1 70 ALA MB 1 74 HIS HD2 . . 5.500 4.102 3.133 5.173 . 0 0 "[ . 1 . 2]" 1
347 1 71 LEU O 1 75 PHE H . . 1.800 1.942 1.782 2.148 0.348 20 0 "[ . 1 . 2]" 1
348 1 71 LEU O 1 75 PHE N . . 2.700 2.913 2.770 3.079 0.379 20 0 "[ . 1 . 2]" 1
349 1 71 LEU H 1 71 LEU MD1 . . 5.500 4.013 3.070 4.286 . 0 0 "[ . 1 . 2]" 1
350 1 71 LEU H 1 71 LEU MD2 . . 5.500 4.279 4.051 4.444 . 0 0 "[ . 1 . 2]" 1
351 1 71 LEU MD1 1 72 GLN HG2 . . 5.500 5.565 5.088 5.686 0.186 5 0 "[ . 1 . 2]" 1
352 1 71 LEU HA 1 73 ILE H . . 5.000 4.571 4.392 4.878 . 0 0 "[ . 1 . 2]" 1
353 1 71 LEU H 1 74 HIS H . . 5.500 4.712 4.530 4.868 . 0 0 "[ . 1 . 2]" 1
354 1 71 LEU HA 1 74 HIS HD2 . . 5.500 2.599 2.291 3.495 . 0 0 "[ . 1 . 2]" 1
355 1 71 LEU MD2 1 74 HIS HD2 . . 5.500 4.985 2.820 5.510 0.010 15 0 "[ . 1 . 2]" 1
356 1 71 LEU MD2 1 75 PHE HD1 . . 5.500 3.382 2.609 4.275 . 0 0 "[ . 1 . 2]" 1
357 1 71 LEU MD1 1 75 PHE HE1 . . 5.500 3.127 2.219 4.392 . 0 0 "[ . 1 . 2]" 1
358 1 71 LEU MD2 1 75 PHE HE1 . . 5.000 2.680 2.126 3.598 . 0 0 "[ . 1 . 2]" 1
359 1 71 LEU MD1 1 75 PHE HZ . . 5.500 4.468 3.494 5.416 . 0 0 "[ . 1 . 2]" 1
360 1 71 LEU MD2 1 75 PHE HZ . . 5.000 3.438 2.895 4.237 . 0 0 "[ . 1 . 2]" 1
361 1 72 GLN O 1 76 THR H . . 1.800 2.180 1.886 2.345 0.545 1 1 "[+ . 1 . 2]" 1
362 1 72 GLN O 1 76 THR N . . 2.700 3.144 2.874 3.296 0.596 1 9 "[+ . * ** -** * *]" 1
363 1 72 GLN H 1 72 GLN HG2 . . 5.000 2.538 2.178 4.453 . 0 0 "[ . 1 . 2]" 1
364 1 72 GLN H 1 73 ILE H . . 3.300 2.949 2.822 3.086 . 0 0 "[ . 1 . 2]" 1
365 1 72 GLN HA 1 75 PHE HB2 . . 5.500 2.829 2.607 3.085 . 0 0 "[ . 1 . 2]" 1
366 1 72 GLN HA 1 76 THR H . . 5.500 4.320 3.981 4.549 . 0 0 "[ . 1 . 2]" 1
367 1 73 ILE O 1 77 LEU H . . 1.800 1.854 1.786 1.981 0.181 8 0 "[ . 1 . 2]" 1
368 1 73 ILE O 1 77 LEU N . . 2.700 2.848 2.786 2.990 0.290 8 0 "[ . 1 . 2]" 1
369 1 73 ILE H 1 73 ILE MD . . 5.500 3.601 3.299 4.533 . 0 0 "[ . 1 . 2]" 1
370 1 73 ILE HB 1 74 HIS H . . 5.500 2.897 2.526 4.171 . 0 0 "[ . 1 . 2]" 1
371 1 73 ILE H 1 76 THR H . . 5.500 4.845 4.718 5.022 . 0 0 "[ . 1 . 2]" 1
372 1 74 HIS O 1 78 ILE H . . 1.800 2.131 1.894 2.256 0.456 17 0 "[ . 1 . 2]" 1
373 1 74 HIS O 1 78 ILE N . . 2.700 3.142 2.896 3.266 0.566 17 7 "[ .** 1 - .*+**2]" 1
374 1 74 HIS HB2 1 75 PHE HD1 . . 5.500 3.249 2.911 4.970 . 0 0 "[ . 1 . 2]" 1
375 1 74 HIS H 1 75 PHE H . . 2.900 2.903 2.870 2.930 0.030 10 0 "[ . 1 . 2]" 1
376 1 74 HIS HA 1 75 PHE HD1 . . 5.000 5.106 5.006 5.207 0.207 9 0 "[ . 1 . 2]" 1
377 1 74 HIS HB2 1 75 PHE H . . 5.500 2.788 2.491 3.925 . 0 0 "[ . 1 . 2]" 1
378 1 74 HIS HB3 1 75 PHE H . . 5.500 3.635 2.645 3.870 . 0 0 "[ . 1 . 2]" 1
379 1 74 HIS HA 1 76 THR H . . 5.500 4.536 4.328 4.747 . 0 0 "[ . 1 . 2]" 1
380 1 74 HIS H 1 77 LEU H . . 5.500 4.772 4.697 4.845 . 0 0 "[ . 1 . 2]" 1
381 1 75 PHE O 1 79 GLN H . . 1.800 2.333 2.066 2.460 0.660 5 15 "[****+****1** .** *-]" 1
382 1 75 PHE O 1 79 GLN N . . 2.700 3.167 2.932 3.266 0.566 11 11 "[** ***** 1+ .-* *2]" 1
383 1 75 PHE HB2 1 75 PHE HD1 . . 3.300 3.066 2.880 3.240 . 0 0 "[ . 1 . 2]" 1
384 1 75 PHE H 1 75 PHE HD1 . . 5.000 2.542 2.346 2.841 . 0 0 "[ . 1 . 2]" 1
385 1 75 PHE H 1 76 THR H . . 5.500 2.839 2.727 2.934 . 0 0 "[ . 1 . 2]" 1
386 1 75 PHE HB2 1 76 THR H . . 5.500 2.894 2.503 3.319 . 0 0 "[ . 1 . 2]" 1
387 1 75 PHE HB3 1 76 THR H . . 5.500 3.341 3.139 3.528 . 0 0 "[ . 1 . 2]" 1
388 1 76 THR O 1 80 ALA H . . 1.800 2.122 1.911 2.361 0.561 10 4 "[ . + * - *]" 1
389 1 76 THR O 1 80 ALA N . . 2.700 3.069 2.898 3.289 0.589 15 4 "[ . * + * -]" 1
390 1 76 THR H 1 77 LEU H . . 2.900 2.703 2.525 2.793 . 0 0 "[ . 1 . 2]" 1
391 1 76 THR HB 1 77 LEU H . . 5.500 2.794 2.420 4.172 . 0 0 "[ . 1 . 2]" 1
392 1 76 THR MG 1 77 LEU H . . 5.000 3.582 2.541 4.139 . 0 0 "[ . 1 . 2]" 1
393 1 76 THR HA 1 79 GLN HB2 . . 3.300 3.071 2.369 3.329 0.029 2 0 "[ . 1 . 2]" 1
394 1 77 LEU O 1 81 PHE H . . 1.800 2.266 2.159 2.368 0.568 15 4 "[ . * 1 + -*2]" 1
395 1 77 LEU O 1 81 PHE N . . 2.700 3.262 3.141 3.363 0.663 15 19 [*********1*-**+*****] 1
396 1 77 LEU H 1 77 LEU MD1 . . 5.000 4.081 4.013 4.145 . 0 0 "[ . 1 . 2]" 1
397 1 77 LEU H 1 77 LEU HG . . 5.000 4.411 4.341 4.452 . 0 0 "[ . 1 . 2]" 1
398 1 77 LEU H 1 78 ILE H . . 5.000 3.035 2.855 3.162 . 0 0 "[ . 1 . 2]" 1
399 1 77 LEU HA 1 80 ALA MB . . 5.000 3.085 2.751 3.466 . 0 0 "[ . 1 . 2]" 1
400 1 77 LEU HA 1 81 PHE H . . 5.500 4.519 4.306 4.743 . 0 0 "[ . 1 . 2]" 1
401 1 77 LEU HA 1 81 PHE HZ . . 5.500 5.181 4.769 5.532 0.032 12 0 "[ . 1 . 2]" 1
402 1 78 ILE O 1 82 CYS H . . 1.800 1.932 1.783 2.225 0.425 12 0 "[ . 1 . 2]" 1
403 1 78 ILE O 1 82 CYS N . . 2.700 2.939 2.781 3.220 0.520 12 1 "[ . 1 + . 2]" 1
404 1 78 ILE H 1 78 ILE HB . . 3.300 2.517 2.293 3.511 0.211 8 0 "[ . 1 . 2]" 1
405 1 78 ILE H 1 78 ILE HG12 . . 5.000 4.340 2.570 4.707 . 0 0 "[ . 1 . 2]" 1
406 1 78 ILE HB 1 79 GLN H . . 5.000 3.885 2.792 4.134 . 0 0 "[ . 1 . 2]" 1
407 1 78 ILE HA 1 80 ALA H . . 5.000 4.478 4.248 4.663 . 0 0 "[ . 1 . 2]" 1
408 1 78 ILE H 1 81 PHE H . . 5.500 5.010 4.814 5.097 . 0 0 "[ . 1 . 2]" 1
409 1 78 ILE HA 1 82 CYS H . . 5.500 3.878 3.622 4.138 . 0 0 "[ . 1 . 2]" 1
410 1 79 GLN O 1 83 CYS H . . 1.800 2.024 1.845 2.291 0.491 10 0 "[ . 1 . 2]" 1
411 1 79 GLN O 1 83 CYS N . . 2.700 2.993 2.848 3.250 0.550 10 2 "[- . + . 2]" 1
412 1 79 GLN H 1 79 GLN HG2 . . 5.000 4.429 3.930 4.618 . 0 0 "[ . 1 . 2]" 1
413 1 79 GLN HB2 1 80 ALA MB . . 5.500 5.222 4.323 5.544 0.044 10 0 "[ . 1 . 2]" 1
414 1 79 GLN H 1 80 ALA H . . 2.900 2.759 2.668 2.855 . 0 0 "[ . 1 . 2]" 1
415 1 79 GLN H 1 81 PHE H . . 5.500 4.194 4.118 4.351 . 0 0 "[ . 1 . 2]" 1
416 1 79 GLN HA 1 82 CYS HB2 . . 5.000 3.782 2.199 5.058 0.058 14 0 "[ . 1 . 2]" 1
417 1 79 GLN HA 1 82 CYS HB3 . . 5.000 4.301 2.330 4.800 . 0 0 "[ . 1 . 2]" 1
418 1 80 ALA O 1 84 GLU H . . 1.800 2.406 2.313 2.485 0.685 18 20 [***-*************+**] 1
419 1 80 ALA O 1 84 GLU N . . 2.700 3.252 3.181 3.312 0.612 5 19 "[-** +***************]" 1
420 1 80 ALA H 1 80 ALA MB . . 3.300 2.237 2.215 2.262 . 0 0 "[ . 1 . 2]" 1
421 1 80 ALA MB 1 81 PHE H . . 3.300 2.417 2.327 2.470 . 0 0 "[ . 1 . 2]" 1
422 1 80 ALA H 1 81 PHE H . . 3.300 2.826 2.640 2.980 . 0 0 "[ . 1 . 2]" 1
423 1 80 ALA HA 1 81 PHE HD1 . . 5.500 4.872 4.730 4.963 . 0 0 "[ . 1 . 2]" 1
424 1 80 ALA MB 1 81 PHE HE1 . . 3.300 3.379 3.352 3.412 0.112 10 0 "[ . 1 . 2]" 1
425 1 80 ALA HA 1 83 CYS HB2 . . 5.000 2.682 2.362 2.995 . 0 0 "[ . 1 . 2]" 1
426 1 80 ALA HA 1 83 CYS HB3 . . 5.000 4.075 3.634 4.403 . 0 0 "[ . 1 . 2]" 1
427 1 81 PHE O 1 84 GLU H . . 2.400 2.472 2.421 2.508 0.108 17 0 "[ . 1 . 2]" 1
428 1 81 PHE H 1 81 PHE HD1 . . 5.500 2.791 2.680 2.928 . 0 0 "[ . 1 . 2]" 1
429 1 81 PHE HA 1 81 PHE HD1 . . 3.300 2.220 2.163 2.284 . 0 0 "[ . 1 . 2]" 1
430 1 81 PHE HA 1 81 PHE HE1 . . 5.000 4.636 4.592 4.700 . 0 0 "[ . 1 . 2]" 1
431 1 81 PHE HB3 1 81 PHE HD1 . . 3.300 3.376 3.329 3.448 0.148 12 0 "[ . 1 . 2]" 1
432 1 81 PHE H 1 82 CYS H . . 5.000 2.901 2.795 3.034 . 0 0 "[ . 1 . 2]" 1
433 1 81 PHE HB2 1 82 CYS H . . 3.300 2.575 2.441 2.787 . 0 0 "[ . 1 . 2]" 1
434 1 81 PHE HB3 1 82 CYS H . . 5.500 3.633 3.448 3.792 . 0 0 "[ . 1 . 2]" 1
435 1 82 CYS H 1 83 CYS H . . 5.500 2.834 2.691 3.055 . 0 0 "[ . 1 . 2]" 1
436 1 82 CYS HB2 1 83 CYS H . . 5.500 3.323 2.530 4.121 . 0 0 "[ . 1 . 2]" 1
437 1 82 CYS HB3 1 83 CYS H . . 5.500 3.765 2.314 4.356 . 0 0 "[ . 1 . 2]" 1
438 1 83 CYS H 1 84 GLU H . . 3.300 2.851 2.725 2.968 . 0 0 "[ . 1 . 2]" 1
439 1 83 CYS HB2 1 84 GLU H . . 3.300 3.007 2.809 3.269 . 0 0 "[ . 1 . 2]" 1
440 1 83 CYS HB3 1 84 GLU H . . 3.300 3.448 3.405 3.489 0.189 12 0 "[ . 1 . 2]" 1
441 1 84 GLU H 1 84 GLU HB2 . . 3.300 2.555 2.327 2.796 . 0 0 "[ . 1 . 2]" 1
442 1 84 GLU H 1 84 GLU HG2 . . 5.000 4.428 2.255 4.660 . 0 0 "[ . 1 . 2]" 1
443 1 84 GLU H 1 85 ASN H . . 3.300 2.961 2.701 3.292 . 0 0 "[ . 1 . 2]" 1
444 1 84 GLU HB2 1 85 ASN H . . 5.000 3.896 2.576 4.377 . 0 0 "[ . 1 . 2]" 1
445 1 85 ASN H 1 86 ASP H . . 5.000 3.300 1.826 4.591 . 0 0 "[ . 1 . 2]" 1
446 1 85 ASN HB2 1 86 ASP H . . 5.500 3.749 2.472 4.646 . 0 0 "[ . 1 . 2]" 1
447 1 86 ASP H 1 86 ASP HB2 . . 3.300 2.627 2.174 3.511 0.211 20 0 "[ . 1 . 2]" 1
448 1 86 ASP H 1 86 ASP HB3 . . 3.300 2.927 2.495 3.470 0.170 9 0 "[ . 1 . 2]" 1
449 1 86 ASP HA 1 87 ILE H . . 2.900 2.333 1.969 2.544 . 0 0 "[ . 1 . 2]" 1
450 1 86 ASP HB2 1 87 ILE H . . 5.500 4.556 4.228 4.679 . 0 0 "[ . 1 . 2]" 1
451 1 86 ASP HB3 1 87 ILE H . . 5.500 4.442 3.926 4.620 . 0 0 "[ . 1 . 2]" 1
452 1 86 ASP H 1 87 ILE H . . 5.000 3.732 2.901 4.360 . 0 0 "[ . 1 . 2]" 1
453 1 87 ILE H 1 87 ILE MD . . 3.300 2.852 1.659 3.363 0.063 7 0 "[ . 1 . 2]" 1
454 1 87 ILE HA 1 87 ILE MD . . 3.300 2.987 2.221 3.527 0.227 19 0 "[ . 1 . 2]" 1
455 1 87 ILE HB 1 87 ILE MD . . 3.300 2.745 2.229 3.299 . 0 0 "[ . 1 . 2]" 1
456 1 87 ILE HA 1 87 ILE MG . . 2.900 2.402 2.158 2.704 . 0 0 "[ . 1 . 2]" 1
457 1 87 ILE H 1 88 ASN H . . 3.300 3.365 2.762 3.678 0.378 19 0 "[ . 1 . 2]" 1
458 1 87 ILE MD 1 88 ASN H . . 5.500 4.362 3.888 4.983 . 0 0 "[ . 1 . 2]" 1
459 1 88 ASN H 1 88 ASN HD21 . . 5.500 4.753 4.035 5.257 . 0 0 "[ . 1 . 2]" 1
460 1 88 ASN H 1 89 ILE H . . 5.000 4.548 4.294 4.744 . 0 0 "[ . 1 . 2]" 1
461 1 88 ASN HA 1 89 ILE H . . 3.300 2.353 2.172 2.519 . 0 0 "[ . 1 . 2]" 1
462 1 89 ILE H 1 89 ILE MD . . 5.000 4.057 2.254 5.043 0.043 18 0 "[ . 1 . 2]" 1
463 1 89 ILE HA 1 89 ILE MG . . 3.300 2.658 2.079 3.264 . 0 0 "[ . 1 . 2]" 1
464 1 89 ILE HA 1 90 LEU H . . 3.300 2.248 2.115 2.372 . 0 0 "[ . 1 . 2]" 1
465 1 91 ARG HB2 1 92 VAL H . . 5.500 4.265 2.479 4.675 . 0 0 "[ . 1 . 2]" 1
466 1 91 ARG H 1 92 VAL H . . 5.500 4.380 4.175 4.561 . 0 0 "[ . 1 . 2]" 1
467 1 92 VAL H 1 92 VAL MG1 . . 3.300 2.850 2.533 3.216 . 0 0 "[ . 1 . 2]" 1
468 1 92 VAL H 1 92 VAL MG2 . . 3.300 2.319 2.149 2.472 . 0 0 "[ . 1 . 2]" 1
469 1 92 VAL H 1 93 SER H . . 5.500 4.486 4.273 4.587 . 0 0 "[ . 1 . 2]" 1
470 1 92 VAL HA 1 93 SER H . . 2.900 2.170 1.972 2.341 . 0 0 "[ . 1 . 2]" 1
471 1 92 VAL HB 1 93 SER H . . 5.000 2.603 2.374 3.221 . 0 0 "[ . 1 . 2]" 1
472 1 92 VAL HB 1 93 SER HB3 . . 5.500 4.924 4.657 5.175 . 0 0 "[ . 1 . 2]" 1
473 1 92 VAL MG2 1 93 SER HB3 . . 5.500 5.494 5.351 5.548 0.048 12 0 "[ . 1 . 2]" 1
474 1 92 VAL HA 1 94 ASN H . . 5.000 4.029 3.700 4.467 . 0 0 "[ . 1 . 2]" 1
475 1 93 SER HB2 1 94 ASN H . . 5.500 4.341 3.713 4.522 . 0 0 "[ . 1 . 2]" 1
476 1 93 SER HB3 1 94 ASN H . . 5.000 3.662 2.296 4.005 . 0 0 "[ . 1 . 2]" 1
477 1 94 ASN O 1 97 ARG H . . 1.800 2.328 2.110 2.519 0.719 18 12 "[** ** *- * ** +**]" 1
478 1 94 ASN O 1 97 ARG N . . 2.700 3.185 2.997 3.258 0.558 16 10 "[*- * 1 * **+ ***]" 1
479 1 94 ASN H 1 94 ASN HB2 . . 3.300 2.965 2.245 3.541 0.241 3 0 "[ . 1 . 2]" 1
480 1 94 ASN H 1 94 ASN HB3 . . 3.300 3.022 2.604 3.417 0.117 2 0 "[ . 1 . 2]" 1
481 1 94 ASN H 1 94 ASN HD21 . . 5.500 4.773 2.584 5.431 . 0 0 "[ . 1 . 2]" 1
482 1 94 ASN H 1 95 PRO HD2 . . 5.500 4.083 3.717 4.944 . 0 0 "[ . 1 . 2]" 1
483 1 94 ASN H 1 95 PRO HD3 . . 5.500 3.452 3.045 4.539 . 0 0 "[ . 1 . 2]" 1
484 1 94 ASN HA 1 98 LEU H . . 5.500 5.592 5.408 5.817 0.317 11 0 "[ . 1 . 2]" 1
485 1 95 PRO O 1 99 ALA H . . 1.800 1.899 1.797 2.184 0.384 12 0 "[ . 1 . 2]" 1
486 1 95 PRO O 1 99 ALA N . . 2.700 2.892 2.799 3.175 0.475 12 0 "[ . 1 . 2]" 1
487 1 95 PRO HD2 1 96 GLY HA2 . . 5.500 5.527 5.334 5.574 0.074 8 0 "[ . 1 . 2]" 1
488 1 95 PRO HD2 1 96 GLY H . . 5.500 2.776 2.499 2.902 . 0 0 "[ . 1 . 2]" 1
489 1 95 PRO HD3 1 96 GLY H . . 5.500 3.934 3.726 4.036 . 0 0 "[ . 1 . 2]" 1
490 1 96 GLY O 1 100 GLU H . . 1.800 2.075 1.850 2.404 0.604 3 3 "[ + . * 1 -. 2]" 1
491 1 96 GLY O 1 100 GLU N . . 2.700 2.969 2.806 3.182 0.482 14 0 "[ . 1 . 2]" 1
492 1 96 GLY H 1 97 ARG H . . 5.500 2.843 2.733 2.999 . 0 0 "[ . 1 . 2]" 1
493 1 96 GLY HA3 1 97 ARG H . . 3.300 2.946 2.819 3.134 . 0 0 "[ . 1 . 2]" 1
494 1 96 GLY HA2 1 98 LEU H . . 5.500 4.682 4.506 4.873 . 0 0 "[ . 1 . 2]" 1
495 1 96 GLY HA3 1 98 LEU H . . 5.500 4.923 4.749 5.204 . 0 0 "[ . 1 . 2]" 1
496 1 96 GLY HA2 1 99 ALA MB . . 3.300 2.596 2.246 3.027 . 0 0 "[ . 1 . 2]" 1
497 1 96 GLY HA3 1 99 ALA MB . . 5.500 4.081 3.808 4.457 . 0 0 "[ . 1 . 2]" 1
498 1 96 GLY HA2 1 100 GLU H . . 5.500 4.047 3.724 4.216 . 0 0 "[ . 1 . 2]" 1
499 1 96 GLY HA3 1 100 GLU H . . 5.500 4.920 4.699 5.102 . 0 0 "[ . 1 . 2]" 1
500 1 97 ARG O 1 101 LEU H . . 1.800 2.070 1.914 2.275 0.475 3 0 "[ . 1 . 2]" 1
501 1 97 ARG O 1 101 LEU N . . 2.700 3.052 2.890 3.223 0.523 3 1 "[ + . 1 . 2]" 1
502 1 97 ARG H 1 98 LEU H . . 2.900 2.506 2.278 2.709 . 0 0 "[ . 1 . 2]" 1
503 1 97 ARG HB2 1 98 LEU H . . 3.300 3.063 2.753 3.475 0.175 10 0 "[ . 1 . 2]" 1
504 1 97 ARG HB3 1 98 LEU H . . 3.300 3.054 2.344 3.408 0.108 12 0 "[ . 1 . 2]" 1
505 1 97 ARG HA 1 99 ALA H . . 5.500 4.493 4.110 4.774 . 0 0 "[ . 1 . 2]" 1
506 1 97 ARG H 1 99 ALA H . . 5.000 3.995 3.693 4.205 . 0 0 "[ . 1 . 2]" 1
507 1 97 ARG HA 1 100 GLU H . . 5.500 3.272 2.998 3.839 . 0 0 "[ . 1 . 2]" 1
508 1 97 ARG HA 1 100 GLU HB2 . . 3.300 2.529 2.158 3.279 . 0 0 "[ . 1 . 2]" 1
509 1 97 ARG HA 1 101 LEU H . . 5.500 4.027 3.774 4.236 . 0 0 "[ . 1 . 2]" 1
510 1 98 LEU H 1 98 LEU MD1 . . 5.000 4.239 3.993 4.441 . 0 0 "[ . 1 . 2]" 1
511 1 98 LEU H 1 98 LEU MD2 . . 3.300 3.028 2.343 3.447 0.147 5 0 "[ . 1 . 2]" 1
512 1 98 LEU H 1 98 LEU HG . . 5.000 4.229 2.707 4.500 . 0 0 "[ . 1 . 2]" 1
513 1 98 LEU MD1 1 99 ALA H . . 5.000 4.596 4.050 4.875 . 0 0 "[ . 1 . 2]" 1
514 1 98 LEU MD2 1 99 ALA H . . 5.000 3.890 2.331 4.756 . 0 0 "[ . 1 . 2]" 1
515 1 98 LEU HB2 1 99 ALA H . . 5.500 3.430 2.708 4.429 . 0 0 "[ . 1 . 2]" 1
516 1 98 LEU H 1 99 ALA H . . 3.300 2.715 2.636 2.838 . 0 0 "[ . 1 . 2]" 1
517 1 99 ALA H 1 99 ALA MB . . 2.900 2.182 2.120 2.219 . 0 0 "[ . 1 . 2]" 1
518 1 99 ALA H 1 100 GLU H . . 3.300 2.779 2.678 2.866 . 0 0 "[ . 1 . 2]" 1
519 1 99 ALA MB 1 100 GLU H . . 3.300 2.663 2.474 2.794 . 0 0 "[ . 1 . 2]" 1
520 1 99 ALA H 1 102 LEU H . . 5.000 4.990 4.722 5.119 0.119 17 0 "[ . 1 . 2]" 1
521 1 99 ALA HA 1 102 LEU HB2 . . 5.500 3.772 2.272 5.369 . 0 0 "[ . 1 . 2]" 1
522 1 100 GLU H 1 100 GLU HG2 . . 5.000 3.862 2.542 4.648 . 0 0 "[ . 1 . 2]" 1
523 1 100 GLU H 1 100 GLU HG3 . . 5.000 3.991 2.559 4.568 . 0 0 "[ . 1 . 2]" 1
524 1 100 GLU H 1 101 LEU H . . 2.900 2.800 2.606 2.934 0.034 6 0 "[ . 1 . 2]" 1
525 1 100 GLU H 1 102 LEU H . . 5.000 4.304 4.088 4.515 . 0 0 "[ . 1 . 2]" 1
526 1 101 LEU H 1 101 LEU MD1 . . 5.000 4.317 4.140 4.444 . 0 0 "[ . 1 . 2]" 1
527 1 101 LEU H 1 101 LEU HG . . 5.000 4.291 3.106 4.553 . 0 0 "[ . 1 . 2]" 1
528 1 101 LEU MD1 1 102 LEU H . . 5.000 4.125 3.375 5.004 0.004 19 0 "[ . 1 . 2]" 1
529 1 101 LEU MD2 1 102 LEU H . . 5.000 4.250 3.084 4.951 . 0 0 "[ . 1 . 2]" 1
530 1 101 LEU HB2 1 102 LEU H . . 5.000 3.950 3.660 4.257 . 0 0 "[ . 1 . 2]" 1
531 1 101 LEU HB3 1 102 LEU H . . 5.000 2.894 2.273 3.878 . 0 0 "[ . 1 . 2]" 1
532 1 101 LEU H 1 104 LEU H . . 5.500 5.077 4.694 5.604 0.104 3 0 "[ . 1 . 2]" 1
533 1 102 LEU H 1 102 LEU MD1 . . 5.000 3.717 3.128 4.368 . 0 0 "[ . 1 . 2]" 1
534 1 102 LEU H 1 102 LEU MD2 . . 5.000 3.660 3.115 4.198 . 0 0 "[ . 1 . 2]" 1
535 1 102 LEU H 1 102 LEU HB3 . . 3.300 2.908 2.238 3.448 0.148 9 0 "[ . 1 . 2]" 1
536 1 102 LEU H 1 102 LEU HG . . 3.300 2.802 2.238 3.377 0.077 6 0 "[ . 1 . 2]" 1
537 1 102 LEU MD1 1 103 LEU H . . 5.000 4.298 3.255 5.133 0.133 11 0 "[ . 1 . 2]" 1
538 1 102 LEU MD2 1 103 LEU H . . 5.000 4.653 4.074 5.000 0.000 4 0 "[ . 1 . 2]" 1
539 1 102 LEU HA 1 103 LEU H . . 3.300 3.359 3.226 3.430 0.130 13 0 "[ . 1 . 2]" 1
540 1 102 LEU HB2 1 103 LEU H . . 5.000 3.893 3.326 4.484 . 0 0 "[ . 1 . 2]" 1
541 1 102 LEU HB3 1 103 LEU H . . 5.000 3.991 3.147 4.338 . 0 0 "[ . 1 . 2]" 1
542 1 103 LEU H 1 103 LEU MD1 . . 5.000 4.113 3.211 4.636 . 0 0 "[ . 1 . 2]" 1
543 1 103 LEU H 1 103 LEU MD2 . . 5.000 4.158 3.191 4.500 . 0 0 "[ . 1 . 2]" 1
544 1 103 LEU H 1 103 LEU HB2 . . 3.300 2.438 2.048 2.973 . 0 0 "[ . 1 . 2]" 1
545 1 103 LEU H 1 103 LEU HB3 . . 3.300 3.037 2.560 3.477 0.177 14 0 "[ . 1 . 2]" 1
546 1 103 LEU H 1 103 LEU HG . . 5.000 4.333 3.157 4.835 . 0 0 "[ . 1 . 2]" 1
547 1 103 LEU MD1 1 104 LEU H . . 5.000 4.637 4.058 5.003 0.003 1 0 "[ . 1 . 2]" 1
548 1 103 LEU MD2 1 104 LEU H . . 5.000 4.331 3.313 5.030 0.030 4 0 "[ . 1 . 2]" 1
549 1 103 LEU H 1 104 LEU H . . 3.300 2.475 2.187 3.003 . 0 0 "[ . 1 . 2]" 1
550 1 103 LEU HB2 1 104 LEU H . . 5.000 3.439 2.527 4.048 . 0 0 "[ . 1 . 2]" 1
551 1 103 LEU HB3 1 104 LEU H . . 5.000 2.772 2.316 3.319 . 0 0 "[ . 1 . 2]" 1
552 1 104 LEU H 1 104 LEU MD1 . . 3.300 3.120 2.171 3.496 0.196 7 0 "[ . 1 . 2]" 1
553 1 104 LEU H 1 104 LEU MD2 . . 3.300 2.863 1.957 3.406 0.106 11 0 "[ . 1 . 2]" 1
554 1 104 LEU H 1 104 LEU HB2 . . 3.300 2.416 2.162 2.786 . 0 0 "[ . 1 . 2]" 1
555 1 104 LEU H 1 104 LEU HG . . 5.000 3.287 1.967 4.254 . 0 0 "[ . 1 . 2]" 1
556 1 104 LEU H 1 105 GLU H . . 3.300 2.794 2.614 3.485 0.185 8 0 "[ . 1 . 2]" 1
557 1 104 LEU HB2 1 105 GLU H . . 2.900 2.650 1.872 3.017 0.117 6 0 "[ . 1 . 2]" 1
558 1 104 LEU HB2 1 106 THR H . . 5.500 4.632 3.155 5.744 0.244 3 0 "[ . 1 . 2]" 1
559 1 105 GLU H 1 105 GLU HB2 . . 3.300 2.999 2.166 3.391 0.091 8 0 "[ . 1 . 2]" 1
560 1 105 GLU H 1 105 GLU HG2 . . 5.000 4.382 3.477 5.051 0.051 7 0 "[ . 1 . 2]" 1
561 1 105 GLU H 1 106 THR H . . 5.000 3.201 1.980 4.591 . 0 0 "[ . 1 . 2]" 1
562 1 105 GLU HB2 1 106 THR H . . 5.500 4.326 3.565 4.717 . 0 0 "[ . 1 . 2]" 1
563 1 105 GLU HG2 1 106 THR H . . 5.500 4.534 1.794 5.566 0.066 11 0 "[ . 1 . 2]" 1
564 1 105 GLU HA 1 108 ALA MB . . 3.300 3.080 2.181 3.653 0.353 8 0 "[ . 1 . 2]" 1
565 1 106 THR H 1 106 THR MG . . 3.300 2.882 2.078 3.557 0.257 17 0 "[ . 1 . 2]" 1
566 1 106 THR H 1 106 THR HB . . 3.300 2.890 2.326 3.438 0.138 2 0 "[ . 1 . 2]" 1
567 1 106 THR H 1 107 ASP H . . 5.000 3.713 2.805 4.628 . 0 0 "[ . 1 . 2]" 1
568 1 106 THR MG 1 107 ASP H . . 5.000 3.604 2.156 4.414 . 0 0 "[ . 1 . 2]" 1
569 1 107 ASP H 1 107 ASP HB2 . . 3.300 3.024 2.536 3.406 0.106 13 0 "[ . 1 . 2]" 1
570 1 107 ASP HA 1 108 ALA H . . 2.900 2.810 2.415 3.060 0.160 20 0 "[ . 1 . 2]" 1
571 1 107 ASP HB2 1 108 ALA H . . 5.000 4.531 4.017 4.722 . 0 0 "[ . 1 . 2]" 1
572 1 107 ASP HB3 1 108 ALA H . . 5.000 4.262 3.919 4.530 . 0 0 "[ . 1 . 2]" 1
573 1 108 ALA H 1 108 ALA MB . . 2.900 2.260 2.050 2.654 . 0 0 "[ . 1 . 2]" 1
574 1 108 ALA MB 1 109 GLY H . . 2.900 2.593 2.239 3.023 0.123 1 0 "[ . 1 . 2]" 1
575 1 108 ALA HA 1 109 GLY H . . 2.900 2.397 2.058 3.221 0.321 8 0 "[ . 1 . 2]" 1
576 1 108 ALA HA 1 111 ALA H . . 5.500 5.253 3.816 5.745 0.245 2 0 "[ . 1 . 2]" 1
577 1 109 GLY H 1 110 PRO HD2 . . 5.000 4.234 1.994 4.991 . 0 0 "[ . 1 . 2]" 1
578 1 109 GLY HA3 1 110 PRO HD2 . . 3.300 2.335 2.116 2.882 . 0 0 "[ . 1 . 2]" 1
579 1 109 GLY HA3 1 111 ALA H . . 5.500 4.131 3.106 4.683 . 0 0 "[ . 1 . 2]" 1
580 1 110 PRO HD2 1 111 ALA H . . 5.000 3.814 2.742 4.754 . 0 0 "[ . 1 . 2]" 1
581 1 111 ALA H 1 111 ALA MB . . 2.900 2.323 2.187 2.859 . 0 0 "[ . 1 . 2]" 1
582 1 111 ALA MB 1 112 ALA H . . 5.000 2.683 2.046 3.456 . 0 0 "[ . 1 . 2]" 1
583 1 112 ALA H 1 112 ALA MB . . 3.300 2.568 2.167 2.868 . 0 0 "[ . 1 . 2]" 1
584 1 112 ALA MB 1 113 SER H . . 5.000 2.794 1.980 3.742 . 0 0 "[ . 1 . 2]" 1
585 1 113 SER H 1 113 SER HB2 . . 3.300 2.968 2.406 3.412 0.112 11 0 "[ . 1 . 2]" 1
586 1 113 SER HB2 1 114 GLU H . . 5.000 3.813 1.953 4.582 . 0 0 "[ . 1 . 2]" 1
587 1 114 GLU H 1 114 GLU HB2 . . 3.300 2.952 2.173 3.353 0.053 18 0 "[ . 1 . 2]" 1
588 1 114 GLU H 1 114 GLU HG2 . . 5.000 4.485 3.690 4.862 . 0 0 "[ . 1 . 2]" 1
589 1 114 GLU HB2 1 115 GLY H . . 5.500 4.029 3.664 4.594 . 0 0 "[ . 1 . 2]" 1
590 1 114 GLU HA 1 115 GLY H . . 2.900 2.419 2.117 2.765 . 0 0 "[ . 1 . 2]" 1
591 1 115 GLY H 1 116 ALA H . . 5.000 3.933 2.124 4.651 . 0 0 "[ . 1 . 2]" 1
592 1 115 GLY HA2 1 116 ALA H . . 3.300 2.695 2.130 3.365 0.065 3 0 "[ . 1 . 2]" 1
593 1 115 GLY HA3 1 116 ALA H . . 3.300 2.714 2.108 3.410 0.110 6 0 "[ . 1 . 2]" 1
594 1 115 GLY HA2 1 117 GLU H . . 5.500 4.973 3.647 5.547 0.047 1 0 "[ . 1 . 2]" 1
595 1 115 GLY HA3 1 117 GLU H . . 5.500 4.893 3.532 5.606 0.106 3 0 "[ . 1 . 2]" 1
596 1 116 ALA H 1 116 ALA MB . . 2.900 2.411 2.188 2.794 . 0 0 "[ . 1 . 2]" 1
597 1 116 ALA MB 1 117 GLU H . . 3.300 2.777 1.921 3.446 0.146 2 0 "[ . 1 . 2]" 1
598 1 116 ALA H 1 117 GLU H . . 5.000 3.248 2.245 4.351 . 0 0 "[ . 1 . 2]" 1
599 1 117 GLU H 1 117 GLU HB2 . . 3.300 2.832 2.329 3.389 0.089 2 0 "[ . 1 . 2]" 1
600 1 117 GLU H 1 117 GLU HG2 . . 5.000 4.371 3.560 4.872 . 0 0 "[ . 1 . 2]" 1
601 1 117 GLU H 1 118 GLN H . . 3.300 2.884 1.835 3.372 0.072 5 0 "[ . 1 . 2]" 1
602 1 117 GLU HB2 1 118 GLN H . . 5.500 3.940 2.049 4.678 . 0 0 "[ . 1 . 2]" 1
603 1 117 GLU HB3 1 118 GLN H . . 5.500 3.676 1.969 4.542 . 0 0 "[ . 1 . 2]" 1
604 1 118 GLN H 1 118 GLN HB2 . . 3.300 2.559 2.159 3.336 0.036 18 0 "[ . 1 . 2]" 1
605 1 123 HIS H 1 124 CYS H . . 5.000 2.580 2.100 3.132 . 0 0 "[ . 1 . 2]" 1
606 1 124 CYS HB2 1 125 VAL H . . 5.500 3.889 2.409 4.363 . 0 0 "[ . 1 . 2]" 1
607 1 124 CYS HA 1 125 VAL H . . 3.300 2.255 2.199 2.423 . 0 0 "[ . 1 . 2]" 1
608 1 124 CYS H 1 125 VAL H . . 5.500 4.277 4.204 4.386 . 0 0 "[ . 1 . 2]" 1
609 1 125 VAL H 1 125 VAL MG1 . . 3.300 3.099 2.431 3.422 0.122 14 0 "[ . 1 . 2]" 1
610 1 125 VAL H 1 126 LEU H . . 5.500 4.293 4.156 4.356 . 0 0 "[ . 1 . 2]" 1
611 1 125 VAL HA 1 126 LEU H . . 3.300 2.187 2.096 2.274 . 0 0 "[ . 1 . 2]" 1
612 1 125 VAL HB 1 126 LEU H . . 5.000 3.594 2.687 4.556 . 0 0 "[ . 1 . 2]" 1
613 1 125 VAL MG1 1 126 LEU H . . 5.000 3.592 2.498 3.950 . 0 0 "[ . 1 . 2]" 1
614 1 125 VAL MG2 1 126 LEU HA . . 5.000 4.293 3.547 5.085 0.085 19 0 "[ . 1 . 2]" 1
615 1 126 LEU H 1 127 VAL H . . 5.500 4.209 4.020 4.489 . 0 0 "[ . 1 . 2]" 1
616 1 126 LEU HA 1 127 VAL H . . 3.300 2.015 1.926 2.109 . 0 0 "[ . 1 . 2]" 1
617 1 127 VAL H 1 127 VAL HB . . 3.300 2.574 2.442 2.680 . 0 0 "[ . 1 . 2]" 1
618 1 127 VAL H 1 127 VAL MG2 . . 3.300 2.635 2.383 2.995 . 0 0 "[ . 1 . 2]" 1
619 1 127 VAL HB 1 128 THR H . . 5.500 4.173 3.934 4.397 . 0 0 "[ . 1 . 2]" 1
620 1 127 VAL HA 1 128 THR H . . 2.900 2.185 2.129 2.250 . 0 0 "[ . 1 . 2]" 1
621 1 127 VAL H 1 128 THR H . . 5.500 4.521 4.373 4.608 . 0 0 "[ . 1 . 2]" 1
622 1 128 THR H 1 128 THR MG . . 3.300 3.033 2.737 3.536 0.236 3 0 "[ . 1 . 2]" 1
623 1 128 THR H 1 129 ASN H . . 5.500 4.408 4.267 4.518 . 0 0 "[ . 1 . 2]" 1
624 1 128 THR HA 1 129 ASN H . . 2.900 2.251 2.119 2.451 . 0 0 "[ . 1 . 2]" 1
625 1 128 THR MG 1 129 ASN H . . 5.000 3.660 2.433 4.196 . 0 0 "[ . 1 . 2]" 1
626 1 129 ASN H 1 130 PRO HD2 . . 5.500 4.976 4.907 5.054 . 0 0 "[ . 1 . 2]" 1
627 1 137 ASP O 1 141 SER H . . 1.800 2.047 1.883 2.275 0.475 2 0 "[ . 1 . 2]" 1
628 1 137 ASP O 1 141 SER N . . 2.700 3.028 2.855 3.248 0.548 7 4 "[ * . +* - . 2]" 1
629 1 138 PRO O 1 142 GLN H . . 1.800 2.196 1.973 2.313 0.513 16 1 "[ . 1 .+ 2]" 1
630 1 138 PRO O 1 142 GLN N . . 2.700 3.146 2.938 3.235 0.535 19 7 "[ -*** 1 ** +2]" 1
631 1 138 PRO HA 1 140 LEU H . . 5.000 4.568 4.348 4.800 . 0 0 "[ . 1 . 2]" 1
632 1 138 PRO HB2 1 141 SER H . . 5.500 5.443 5.204 5.544 0.044 1 0 "[ . 1 . 2]" 1
633 1 139 ALA O 1 143 LEU H . . 1.800 2.175 2.070 2.280 0.480 2 0 "[ . 1 . 2]" 1
634 1 139 ALA O 1 143 LEU N . . 2.700 3.119 3.027 3.220 0.520 2 2 "[ + . 1 - 2]" 1
635 1 139 ALA H 1 139 ALA MB . . 2.900 2.116 2.068 2.181 . 0 0 "[ . 1 . 2]" 1
636 1 139 ALA H 1 140 LEU H . . 2.900 2.793 2.525 2.941 0.041 7 0 "[ . 1 . 2]" 1
637 1 139 ALA MB 1 140 LEU H . . 3.300 2.354 2.225 2.500 . 0 0 "[ . 1 . 2]" 1
638 1 139 ALA MB 1 141 SER H . . 5.000 4.430 4.327 4.558 . 0 0 "[ . 1 . 2]" 1
639 1 139 ALA H 1 141 SER H . . 5.500 4.045 3.859 4.175 . 0 0 "[ . 1 . 2]" 1
640 1 139 ALA H 1 142 GLN H . . 5.500 4.836 4.722 4.924 . 0 0 "[ . 1 . 2]" 1
641 1 139 ALA HA 1 142 GLN H . . 5.000 3.685 3.464 3.814 . 0 0 "[ . 1 . 2]" 1
642 1 139 ALA H 1 143 LEU MD1 . . 5.500 5.563 5.535 5.693 0.193 2 0 "[ . 1 . 2]" 1
643 1 140 LEU O 1 144 ILE H . . 1.800 1.988 1.847 2.149 0.349 2 0 "[ . 1 . 2]" 1
644 1 140 LEU O 1 144 ILE N . . 2.700 2.976 2.834 3.153 0.453 2 0 "[ . 1 . 2]" 1
645 1 140 LEU H 1 140 LEU HB2 . . 3.300 2.151 2.096 2.199 . 0 0 "[ . 1 . 2]" 1
646 1 140 LEU H 1 140 LEU MD1 . . 5.000 4.368 4.297 4.423 . 0 0 "[ . 1 . 2]" 1
647 1 140 LEU H 1 140 LEU MD2 . . 5.000 3.476 3.261 3.666 . 0 0 "[ . 1 . 2]" 1
648 1 140 LEU H 1 141 SER H . . 3.300 2.717 2.656 2.836 . 0 0 "[ . 1 . 2]" 1
649 1 140 LEU HB2 1 141 SER H . . 5.500 3.643 3.512 3.738 . 0 0 "[ . 1 . 2]" 1
650 1 140 LEU MD1 1 141 SER H . . 5.500 4.236 4.074 4.394 . 0 0 "[ . 1 . 2]" 1
651 1 140 LEU MD2 1 141 SER H . . 5.500 4.855 4.799 4.917 . 0 0 "[ . 1 . 2]" 1
652 1 140 LEU H 1 142 GLN H . . 5.000 4.352 4.245 4.508 . 0 0 "[ . 1 . 2]" 1
653 1 140 LEU HA 1 143 LEU HB2 . . 5.000 2.199 2.059 2.867 . 0 0 "[ . 1 . 2]" 1
654 1 140 LEU HA 1 143 LEU HB3 . . 5.000 3.786 3.587 4.236 . 0 0 "[ . 1 . 2]" 1
655 1 141 SER O 1 145 CYS H . . 1.800 2.099 1.933 2.287 0.487 18 0 "[ . 1 . 2]" 1
656 1 141 SER O 1 145 CYS N . . 2.700 3.077 2.929 3.231 0.531 18 3 "[ - . 1* . + 2]" 1
657 1 141 SER H 1 142 GLN H . . 5.000 2.935 2.833 3.085 . 0 0 "[ . 1 . 2]" 1
658 1 141 SER HB2 1 142 GLN H . . 5.500 2.750 2.496 3.738 . 0 0 "[ . 1 . 2]" 1
659 1 141 SER HB3 1 142 GLN H . . 5.500 3.490 2.466 3.760 . 0 0 "[ . 1 . 2]" 1
660 1 141 SER HB2 1 143 LEU H . . 5.500 5.158 4.982 5.617 0.117 3 0 "[ . 1 . 2]" 1
661 1 141 SER HA 1 144 ILE H . . 5.500 3.607 3.483 3.789 . 0 0 "[ . 1 . 2]" 1
662 1 142 GLN O 1 146 PHE H . . 1.800 2.022 1.898 2.126 0.326 18 0 "[ . 1 . 2]" 1
663 1 142 GLN O 1 146 PHE N . . 2.700 3.031 2.910 3.134 0.434 18 0 "[ . 1 . 2]" 1
664 1 142 GLN H 1 142 GLN HB2 . . 3.300 2.108 2.072 2.215 . 0 0 "[ . 1 . 2]" 1
665 1 142 GLN H 1 142 GLN HB3 . . 3.300 3.368 3.246 3.467 0.167 20 0 "[ . 1 . 2]" 1
666 1 142 GLN H 1 142 GLN HG2 . . 5.000 3.898 2.944 4.340 . 0 0 "[ . 1 . 2]" 1
667 1 142 GLN H 1 142 GLN HG3 . . 5.000 4.031 2.539 4.393 . 0 0 "[ . 1 . 2]" 1
668 1 142 GLN H 1 143 LEU H . . 3.300 2.747 2.690 2.807 . 0 0 "[ . 1 . 2]" 1
669 1 142 GLN HB2 1 143 LEU H . . 3.300 3.140 2.841 3.310 0.010 6 0 "[ . 1 . 2]" 1
670 1 142 GLN H 1 144 ILE H . . 5.500 4.437 4.294 4.646 . 0 0 "[ . 1 . 2]" 1
671 1 142 GLN HA 1 145 CYS HB2 . . 3.300 2.832 2.205 3.320 0.020 18 0 "[ . 1 . 2]" 1
672 1 143 LEU O 1 147 CYS H . . 1.800 1.968 1.869 2.144 0.344 17 0 "[ . 1 . 2]" 1
673 1 143 LEU O 1 147 CYS N . . 2.700 2.972 2.872 3.157 0.457 17 0 "[ . 1 . 2]" 1
674 1 143 LEU H 1 143 LEU MD1 . . 5.000 2.950 2.572 3.527 . 0 0 "[ . 1 . 2]" 1
675 1 143 LEU H 1 143 LEU MD2 . . 5.000 4.240 3.039 4.384 . 0 0 "[ . 1 . 2]" 1
676 1 143 LEU H 1 143 LEU HG . . 5.000 3.128 1.976 3.402 . 0 0 "[ . 1 . 2]" 1
677 1 143 LEU MD1 1 144 ILE H . . 5.500 4.480 4.199 4.692 . 0 0 "[ . 1 . 2]" 1
678 1 143 LEU MD2 1 144 ILE H . . 5.500 4.741 4.521 4.895 . 0 0 "[ . 1 . 2]" 1
679 1 143 LEU H 1 144 ILE H . . 5.000 2.871 2.798 3.023 . 0 0 "[ . 1 . 2]" 1
680 1 143 LEU H 1 145 CYS H . . 5.500 4.242 4.046 4.480 . 0 0 "[ . 1 . 2]" 1
681 1 143 LEU H 1 146 PHE H . . 5.000 4.891 4.785 4.991 . 0 0 "[ . 1 . 2]" 1
682 1 143 LEU HA 1 146 PHE HB2 . . 5.000 4.152 3.930 4.422 . 0 0 "[ . 1 . 2]" 1
683 1 144 ILE O 1 148 ARG H . . 1.800 2.037 1.886 2.261 0.461 10 0 "[ . 1 . 2]" 1
684 1 144 ILE O 1 148 ARG N . . 2.700 3.022 2.864 3.250 0.550 10 2 "[ - + . 2]" 1
685 1 144 ILE H 1 144 ILE MD . . 5.000 3.576 2.965 4.510 . 0 0 "[ . 1 . 2]" 1
686 1 144 ILE H 1 144 ILE QG . . 5.000 2.656 2.234 4.065 . 0 0 "[ . 1 . 2]" 1
687 1 144 ILE H 1 144 ILE HB . . 3.300 2.448 2.361 2.697 . 0 0 "[ . 1 . 2]" 1
688 1 144 ILE HA 1 144 ILE MG . . 3.300 2.645 2.408 3.267 . 0 0 "[ . 1 . 2]" 1
689 1 144 ILE HB 1 144 ILE MD . . 3.300 2.348 2.200 2.390 . 0 0 "[ . 1 . 2]" 1
690 1 144 ILE H 1 145 CYS H . . 5.000 2.712 2.626 2.867 . 0 0 "[ . 1 . 2]" 1
691 1 144 ILE HB 1 145 CYS H . . 5.000 2.964 2.507 4.179 . 0 0 "[ . 1 . 2]" 1
692 1 144 ILE HA 1 147 CYS H . . 5.500 3.597 3.328 3.886 . 0 0 "[ . 1 . 2]" 1
693 1 144 ILE HA 1 147 CYS HB2 . . 5.500 3.794 2.394 5.196 . 0 0 "[ . 1 . 2]" 1
694 1 144 ILE HA 1 147 CYS HB3 . . 5.500 4.008 3.282 4.608 . 0 0 "[ . 1 . 2]" 1
695 1 145 CYS O 1 149 GLU H . . 1.800 2.220 1.965 2.351 0.551 5 6 "[* * + 1 *.- *]" 1
696 1 145 CYS O 1 149 GLU N . . 2.700 3.192 2.963 3.328 0.628 5 13 "[* *-+ ***** *.* **]" 1
697 1 145 CYS H 1 145 CYS HB2 . . 3.300 2.432 2.256 2.531 . 0 0 "[ . 1 . 2]" 1
698 1 145 CYS H 1 146 PHE H . . 3.300 2.982 2.906 3.036 . 0 0 "[ . 1 . 2]" 1
699 1 145 CYS HB2 1 146 PHE H . . 5.000 3.090 2.458 3.818 . 0 0 "[ . 1 . 2]" 1
700 1 145 CYS HA 1 148 ARG H . . 5.500 3.753 3.502 4.000 . 0 0 "[ . 1 . 2]" 1
701 1 145 CYS HA 1 148 ARG HB2 . . 3.300 3.013 2.664 3.389 0.089 14 0 "[ . 1 . 2]" 1
702 1 146 PHE O 1 150 SER H . . 1.800 2.098 1.914 2.269 0.469 6 0 "[ . 1 . 2]" 1
703 1 146 PHE O 1 150 SER N . . 2.700 3.095 2.914 3.264 0.564 6 4 "[- .+ * *. 2]" 1
704 1 146 PHE HB2 1 147 CYS H . . 5.000 4.035 3.948 4.121 . 0 0 "[ . 1 . 2]" 1
705 1 146 PHE HD1 1 147 CYS H . . 5.500 5.126 4.912 5.286 . 0 0 "[ . 1 . 2]" 1
706 1 146 PHE H 1 147 CYS H . . 5.500 2.961 2.888 3.067 . 0 0 "[ . 1 . 2]" 1
707 1 146 PHE HA 1 148 ARG H . . 5.500 4.645 4.503 4.766 . 0 0 "[ . 1 . 2]" 1
708 1 146 PHE HA 1 149 GLU H . . 5.000 3.677 3.437 3.858 . 0 0 "[ . 1 . 2]" 1
709 1 146 PHE HA 1 150 SER H . . 5.500 4.160 3.870 4.387 . 0 0 "[ . 1 . 2]" 1
710 1 147 CYS O 1 151 ARG H . . 1.800 1.951 1.847 2.307 0.507 17 1 "[ . 1 . + 2]" 1
711 1 147 CYS O 1 151 ARG N . . 2.700 2.932 2.831 3.253 0.553 17 1 "[ . 1 . + 2]" 1
712 1 147 CYS H 1 147 CYS HB3 . . 3.300 2.893 2.309 3.501 0.201 10 0 "[ . 1 . 2]" 1
713 1 147 CYS H 1 148 ARG H . . 5.000 2.899 2.781 3.039 . 0 0 "[ . 1 . 2]" 1
714 1 147 CYS HB2 1 148 ARG H . . 5.000 3.434 2.495 4.099 . 0 0 "[ . 1 . 2]" 1
715 1 147 CYS HB2 1 148 ARG HA . . 5.000 4.857 4.514 5.051 0.051 7 0 "[ . 1 . 2]" 1
716 1 147 CYS HB3 1 148 ARG H . . 5.000 3.798 3.369 4.221 . 0 0 "[ . 1 . 2]" 1
717 1 147 CYS H 1 149 GLU H . . 5.500 4.431 4.342 4.532 . 0 0 "[ . 1 . 2]" 1
718 1 148 ARG O 1 152 TYR H . . 1.800 2.189 1.956 2.431 0.631 13 5 "[ - 1 +*.* * 2]" 1
719 1 148 ARG O 1 152 TYR N . . 2.700 3.046 2.848 3.230 0.530 5 4 "[ + 1 - .* * 2]" 1
720 1 148 ARG H 1 148 ARG HB2 . . 3.300 2.257 2.025 2.407 . 0 0 "[ . 1 . 2]" 1
721 1 148 ARG H 1 148 ARG HG2 . . 5.000 3.527 2.536 4.589 . 0 0 "[ . 1 . 2]" 1
722 1 148 ARG H 1 148 ARG HD2 . . 5.500 4.656 3.755 5.165 . 0 0 "[ . 1 . 2]" 1
723 1 148 ARG HB2 1 149 GLU H . . 5.500 2.952 2.515 3.851 . 0 0 "[ . 1 . 2]" 1
724 1 148 ARG H 1 151 ARG H . . 5.500 4.828 4.719 5.047 . 0 0 "[ . 1 . 2]" 1
725 1 149 GLU H 1 149 GLU HB2 . . 3.300 2.425 2.308 2.578 . 0 0 "[ . 1 . 2]" 1
726 1 149 GLU H 1 149 GLU HG2 . . 5.000 2.776 2.378 3.553 . 0 0 "[ . 1 . 2]" 1
727 1 149 GLU H 1 149 GLU HG3 . . 5.000 3.261 2.450 3.755 . 0 0 "[ . 1 . 2]" 1
728 1 149 GLU HB2 1 150 SER H . . 3.300 2.623 2.394 2.862 . 0 0 "[ . 1 . 2]" 1
729 1 149 GLU HA 1 152 TYR HD1 . . 5.500 4.242 3.814 5.527 0.027 8 0 "[ . 1 . 2]" 1
730 1 150 SER O 1 153 MET H . . 2.400 2.120 1.912 2.413 0.013 8 0 "[ . 1 . 2]" 1
731 1 150 SER O 1 153 MET N . . 3.200 3.023 2.873 3.222 0.022 3 0 "[ . 1 . 2]" 1
732 1 150 SER H 1 150 SER HB2 . . 3.300 2.623 2.264 3.504 0.204 17 0 "[ . 1 . 2]" 1
733 1 150 SER H 1 150 SER HB3 . . 3.300 2.753 2.439 3.479 0.179 10 0 "[ . 1 . 2]" 1
734 1 150 SER HB2 1 151 ARG H . . 5.000 3.561 2.566 3.910 . 0 0 "[ . 1 . 2]" 1
735 1 150 SER HB3 1 151 ARG H . . 5.000 2.979 2.242 4.277 . 0 0 "[ . 1 . 2]" 1
736 1 150 SER H 1 153 MET H . . 5.500 5.327 4.745 5.604 0.104 17 0 "[ . 1 . 2]" 1
737 1 151 ARG H 1 152 TYR H . . 2.900 2.825 2.739 2.920 0.020 17 0 "[ . 1 . 2]" 1
738 1 151 ARG HA 1 155 GLN H . . 5.500 3.829 2.223 5.568 0.068 8 0 "[ . 1 . 2]" 1
739 1 151 ARG HA 1 156 TRP H . . 5.500 4.690 3.444 5.519 0.019 1 0 "[ . 1 . 2]" 1
740 1 152 TYR HA 1 152 TYR HD1 . . 5.000 3.123 2.449 3.526 . 0 0 "[ . 1 . 2]" 1
741 1 152 TYR HA 1 152 TYR HE1 . . 5.500 4.856 4.524 5.081 . 0 0 "[ . 1 . 2]" 1
742 1 152 TYR HD1 1 153 MET H . . 5.500 5.454 4.969 5.586 0.086 17 0 "[ . 1 . 2]" 1
743 1 152 TYR HB2 1 153 MET H . . 5.500 3.650 3.366 3.915 . 0 0 "[ . 1 . 2]" 1
744 1 152 TYR HB3 1 153 MET H . . 5.500 3.464 2.497 3.856 . 0 0 "[ . 1 . 2]" 1
745 1 153 MET H 1 153 MET HB2 . . 3.300 2.704 2.315 3.575 0.275 17 0 "[ . 1 . 2]" 1
746 1 153 MET H 1 153 MET HG2 . . 5.000 4.260 2.244 4.805 . 0 0 "[ . 1 . 2]" 1
747 1 153 MET H 1 153 MET HG3 . . 5.000 4.435 3.710 4.711 . 0 0 "[ . 1 . 2]" 1
748 1 153 MET HB2 1 154 ASP H . . 5.000 4.024 2.256 4.464 . 0 0 "[ . 1 . 2]" 1
749 1 153 MET HB3 1 154 ASP H . . 5.500 3.471 2.090 4.449 . 0 0 "[ . 1 . 2]" 1
750 1 153 MET H 1 154 ASP H . . 5.000 2.523 1.968 2.900 . 0 0 "[ . 1 . 2]" 1
751 1 153 MET HG2 1 155 GLN HE21 . . 5.000 4.308 2.886 5.060 0.060 6 0 "[ . 1 . 2]" 1
752 1 153 MET HG3 1 155 GLN HE21 . . 5.000 4.524 3.223 5.086 0.086 12 0 "[ . 1 . 2]" 1
753 1 153 MET HG2 1 155 GLN HE22 . . 5.000 3.996 2.218 5.073 0.073 12 0 "[ . 1 . 2]" 1
754 1 153 MET HG3 1 155 GLN HE22 . . 5.000 4.089 2.617 5.034 0.034 8 0 "[ . 1 . 2]" 1
755 1 154 ASP H 1 154 ASP HB2 . . 3.300 2.978 2.314 3.420 0.120 15 0 "[ . 1 . 2]" 1
756 1 154 ASP HB2 1 155 GLN H . . 5.500 4.162 3.031 4.632 . 0 0 "[ . 1 . 2]" 1
757 1 154 ASP HB3 1 155 GLN H . . 5.500 3.730 2.666 4.532 . 0 0 "[ . 1 . 2]" 1
758 1 154 ASP H 1 155 GLN HE21 . . 5.500 4.607 3.339 5.414 . 0 0 "[ . 1 . 2]" 1
759 1 154 ASP H 1 155 GLN HE22 . . 5.500 4.967 3.492 5.615 0.115 3 0 "[ . 1 . 2]" 1
760 1 154 ASP HA 1 156 TRP H . . 5.500 4.505 3.002 5.468 . 0 0 "[ . 1 . 2]" 1
761 1 154 ASP HA 1 156 TRP HE1 . . 5.500 5.456 5.087 5.582 0.082 13 0 "[ . 1 . 2]" 1
762 1 155 GLN HA 1 155 GLN HE21 . . 5.500 3.908 2.320 4.559 . 0 0 "[ . 1 . 2]" 1
763 1 155 GLN HA 1 155 GLN HE22 . . 5.500 4.655 3.712 5.573 0.073 17 0 "[ . 1 . 2]" 1
764 1 155 GLN HB2 1 156 TRP H . . 5.000 4.126 2.749 4.609 . 0 0 "[ . 1 . 2]" 1
765 1 155 GLN HB3 1 156 TRP H . . 5.000 3.923 3.658 4.460 . 0 0 "[ . 1 . 2]" 1
766 1 156 TRP H 1 156 TRP HE1 . . 5.000 4.651 4.200 4.983 . 0 0 "[ . 1 . 2]" 1
767 1 156 TRP HB2 1 156 TRP HE1 . . 5.000 4.950 4.740 5.085 0.085 1 0 "[ . 1 . 2]" 1
768 1 156 TRP HD1 1 157 VAL H . . 5.500 4.155 1.772 5.535 0.035 8 0 "[ . 1 . 2]" 1
769 1 156 TRP HB2 1 157 VAL H . . 5.000 2.696 2.187 3.131 . 0 0 "[ . 1 . 2]" 1
770 1 156 TRP HB3 1 157 VAL H . . 5.000 3.540 2.392 3.887 . 0 0 "[ . 1 . 2]" 1
771 1 157 VAL H 1 157 VAL MG1 . . 3.300 3.168 2.275 3.358 0.058 2 0 "[ . 1 . 2]" 1
772 1 157 VAL H 1 157 VAL MG2 . . 3.300 2.439 2.023 2.589 . 0 0 "[ . 1 . 2]" 1
773 1 158 PRO HA 1 159 VAL H . . 2.900 2.333 2.229 2.405 . 0 0 "[ . 1 . 2]" 1
774 1 159 VAL H 1 159 VAL MG1 . . 3.300 3.125 2.931 3.329 0.029 20 0 "[ . 1 . 2]" 1
775 1 159 VAL H 1 159 VAL MG2 . . 2.900 2.358 2.102 2.507 . 0 0 "[ . 1 . 2]" 1
776 1 159 VAL HA 1 160 ILE H . . 2.900 2.258 2.100 2.350 . 0 0 "[ . 1 . 2]" 1
777 1 159 VAL HB 1 160 ILE H . . 5.500 2.995 2.602 3.684 . 0 0 "[ . 1 . 2]" 1
778 1 159 VAL H 1 160 ILE H . . 5.500 4.402 4.185 4.538 . 0 0 "[ . 1 . 2]" 1
779 1 159 VAL MG2 1 160 ILE HA . . 5.500 3.855 3.197 4.610 . 0 0 "[ . 1 . 2]" 1
780 1 160 ILE H 1 161 ASN H . . 5.500 4.478 4.421 4.557 . 0 0 "[ . 1 . 2]" 1
781 1 160 ILE HA 1 161 ASN H . . 2.900 2.401 2.236 2.526 . 0 0 "[ . 1 . 2]" 1
782 1 160 ILE HG12 1 161 ASN H . . 5.000 2.614 1.958 4.930 . 0 0 "[ . 1 . 2]" 1
783 1 160 ILE MG 1 161 ASN H . . 5.000 3.033 2.150 3.769 . 0 0 "[ . 1 . 2]" 1
784 1 160 ILE HA 1 161 ASN HA . . 5.500 4.527 4.466 4.576 . 0 0 "[ . 1 . 2]" 1
785 1 161 ASN H 1 161 ASN HB3 . . 3.300 3.210 2.673 3.388 0.088 20 0 "[ . 1 . 2]" 1
786 1 161 ASN HA 1 162 LEU H . . 2.900 2.223 2.138 2.485 . 0 0 "[ . 1 . 2]" 1
787 1 161 ASN HB2 1 162 LEU H . . 5.500 3.796 2.466 4.497 . 0 0 "[ . 1 . 2]" 1
788 1 161 ASN HB3 1 162 LEU H . . 5.500 4.425 3.872 4.603 . 0 0 "[ . 1 . 2]" 1
789 1 162 LEU H 1 162 LEU MD1 . . 5.000 3.824 1.729 4.352 . 0 0 "[ . 1 . 2]" 1
790 1 162 LEU H 1 162 LEU MD2 . . 5.000 2.202 1.745 3.259 . 0 0 "[ . 1 . 2]" 1
791 1 163 PRO HA 1 164 GLU H . . 3.300 2.531 2.237 3.453 0.153 5 0 "[ . 1 . 2]" 1
792 1 163 PRO HB2 1 164 GLU H . . 3.300 2.674 2.166 3.434 0.134 20 0 "[ . 1 . 2]" 1
793 1 164 GLU H 1 164 GLU HB2 . . 3.300 2.576 2.219 3.326 0.026 2 0 "[ . 1 . 2]" 1
794 1 164 GLU H 1 164 GLU HG2 . . 5.000 3.571 2.057 4.809 . 0 0 "[ . 1 . 2]" 1
795 1 164 GLU H 1 165 ARG H . . 5.000 4.258 2.249 4.667 . 0 0 "[ . 1 . 2]" 1
796 1 164 GLU HB2 1 165 ARG H . . 3.300 3.369 3.300 3.459 0.159 5 0 "[ . 1 . 2]" 1
797 1 164 GLU HB3 1 165 ARG H . . 3.300 2.159 2.016 2.250 . 0 0 "[ . 1 . 2]" 1
798 1 165 ARG H 1 165 ARG HG2 . . 5.000 4.030 2.460 4.974 . 0 0 "[ . 1 . 2]" 1
799 1 165 ARG H 1 165 ARG HE . . 5.500 4.928 3.462 5.555 0.055 6 0 "[ . 1 . 2]" 1
800 1 165 ARG HA 1 165 ARG HE . . 5.000 4.573 3.195 5.092 0.092 11 0 "[ . 1 . 2]" 1
801 1 37 THR H 1 126 LEU O . . 1.800 2.160 1.862 2.328 0.528 8 2 "[ . +-1 . 2]" 1
802 1 37 THR N 1 126 LEU O . . 2.700 3.119 2.882 3.244 0.544 10 7 "[ * . ** + *- *2]" 1
803 1 37 THR O 1 126 LEU H . . 1.800 1.892 1.826 2.000 0.200 13 0 "[ . 1 . 2]" 1
804 1 37 THR O 1 126 LEU N . . 2.700 2.904 2.840 3.012 0.312 13 0 "[ . 1 . 2]" 1
805 1 39 GLY N 1 124 CYS O . . 2.700 2.882 2.795 3.006 0.306 20 0 "[ . 1 . 2]" 1
806 1 39 GLY H 1 124 CYS O . . 1.800 1.901 1.778 2.016 0.216 20 0 "[ . 1 . 2]" 1
807 1 36 ILE HA 1 127 VAL HA . . 5.000 3.773 3.284 4.175 . 0 0 "[ . 1 . 2]" 1
808 1 36 ILE HA 1 127 VAL MG1 . . 5.000 4.960 4.610 5.099 0.099 12 0 "[ . 1 . 2]" 1
809 1 36 ILE HB 1 128 THR H . . 5.500 4.789 3.664 5.527 0.027 20 0 "[ . 1 . 2]" 1
810 1 36 ILE MG 1 135 TRP HZ2 . . 5.500 4.555 2.240 5.584 0.084 18 0 "[ . 1 . 2]" 1
811 1 37 THR H 1 126 LEU HG . . 5.500 5.370 4.757 5.689 0.189 20 0 "[ . 1 . 2]" 1
812 1 37 THR MG 1 127 VAL H . . 5.500 5.635 5.508 5.691 0.191 11 0 "[ . 1 . 2]" 1
813 1 37 THR H 1 126 LEU H . . 5.000 3.497 2.931 3.770 . 0 0 "[ . 1 . 2]" 1
814 1 37 THR HB 1 126 LEU HA . . 5.000 4.548 4.327 4.765 . 0 0 "[ . 1 . 2]" 1
815 1 37 THR HB 1 126 LEU H . . 3.300 3.260 2.948 3.427 0.127 11 0 "[ . 1 . 2]" 1
816 1 37 THR HB 1 127 VAL HA . . 5.500 5.144 4.886 5.604 0.104 1 0 "[ . 1 . 2]" 1
817 1 38 VAL HA 1 125 VAL HA . . 5.000 2.254 2.114 2.546 . 0 0 "[ . 1 . 2]" 1
818 1 38 VAL HA 1 126 LEU H . . 3.300 3.402 3.295 3.469 0.169 1 0 "[ . 1 . 2]" 1
819 1 40 VAL MG1 1 124 CYS HA . . 5.500 5.046 3.811 5.534 0.034 8 0 "[ . 1 . 2]" 1
820 1 57 CYS H 1 88 ASN O . . 1.800 2.300 2.073 2.458 0.658 18 9 "[**-*.* 1 *.* +*2]" 1
821 1 57 CYS N 1 88 ASN O . . 2.700 3.263 3.071 3.394 0.694 1 15 "[+***.** *1- **.*****]" 1
822 1 57 CYS O 1 90 LEU H . . 1.800 2.086 1.897 2.269 0.469 10 0 "[ . 1 . 2]" 1
823 1 57 CYS O 1 90 LEU N . . 2.700 3.064 2.890 3.242 0.542 7 2 "[ . + - . 2]" 1
824 1 59 LEU H 1 90 LEU O . . 1.800 2.242 2.090 2.396 0.596 6 6 "[ *+ 1 * -**]" 1
825 1 59 LEU N 1 90 LEU O . . 2.700 3.224 3.059 3.368 0.668 6 12 "[ *+* ** **-****]" 1
826 1 59 LEU O 1 92 VAL H . . 1.800 1.902 1.796 2.004 0.204 20 0 "[ . 1 . 2]" 1
827 1 59 LEU O 1 92 VAL N . . 2.700 2.862 2.786 2.976 0.276 20 0 "[ . 1 . 2]" 1
828 1 61 ALA H 1 92 VAL O . . 1.800 2.118 1.865 2.341 0.541 3 1 "[ + . 1 . 2]" 1
829 1 61 ALA N 1 92 VAL O . . 2.700 3.055 2.797 3.262 0.562 3 4 "[* + . 1 . -*2]" 1
830 1 57 CYS H 1 89 ILE HA . . 5.500 2.550 2.352 2.908 . 0 0 "[ . 1 . 2]" 1
831 1 57 CYS H 1 90 LEU H . . 5.500 4.201 3.912 4.606 . 0 0 "[ . 1 . 2]" 1
832 1 59 LEU H 1 91 ARG HA . . 5.000 2.829 2.623 3.075 . 0 0 "[ . 1 . 2]" 1
833 1 59 LEU MD1 1 91 ARG HA . . 5.500 4.976 4.266 5.541 0.041 15 0 "[ . 1 . 2]" 1
834 1 60 ALA HA 1 92 VAL H . . 5.500 2.868 2.427 3.305 . 0 0 "[ . 1 . 2]" 1
835 1 61 ALA H 1 92 VAL H . . 5.500 3.908 3.417 4.503 . 0 0 "[ . 1 . 2]" 1
836 1 56 LEU H 1 127 VAL O . . 1.800 2.082 1.852 2.292 0.492 11 0 "[ . 1 . 2]" 1
837 1 56 LEU N 1 127 VAL O . . 2.700 3.094 2.865 3.282 0.582 2 6 "[ + *. *- 1** . 2]" 1
838 1 56 LEU O 1 127 VAL H . . 1.800 2.037 1.878 2.374 0.574 12 1 "[ . 1 + . 2]" 1
839 1 56 LEU O 1 127 VAL N . . 2.700 2.979 2.841 3.223 0.523 12 1 "[ . 1 + . 2]" 1
840 1 58 LEU H 1 125 VAL O . . 1.800 1.959 1.793 2.268 0.468 18 0 "[ . 1 . 2]" 1
841 1 58 LEU N 1 125 VAL O . . 2.700 2.911 2.778 3.159 0.459 18 0 "[ . 1 . 2]" 1
842 1 58 LEU O 1 125 VAL H . . 1.800 1.972 1.844 2.183 0.383 1 0 "[ . 1 . 2]" 1
843 1 58 LEU O 1 125 VAL N . . 2.700 2.966 2.844 3.142 0.442 1 0 "[ . 1 . 2]" 1
844 1 60 ALA H 1 123 HIS O . . 1.800 2.062 1.899 2.361 0.561 18 2 "[ - 1 . + 2]" 1
845 1 60 ALA N 1 123 HIS O . . 2.700 2.965 2.862 3.182 0.482 5 0 "[ . 1 . 2]" 1
846 1 53 ASN HA 1 129 ASN HB2 . . 5.500 5.194 3.604 5.578 0.078 13 0 "[ . 1 . 2]" 1
847 1 54 VAL H 1 129 ASN H . . 5.000 4.977 4.739 5.086 0.086 17 0 "[ . 1 . 2]" 1
848 1 54 VAL H 1 128 THR HA . . 5.500 4.956 4.725 5.311 . 0 0 "[ . 1 . 2]" 1
849 1 55 VAL HA 1 128 THR HA . . 5.000 4.572 4.049 5.014 0.014 11 0 "[ . 1 . 2]" 1
850 1 55 VAL HA 1 128 THR MG . . 5.500 5.536 5.122 5.683 0.183 15 0 "[ . 1 . 2]" 1
851 1 55 VAL HA 1 129 ASN HD21 . . 5.000 4.455 3.342 5.185 0.185 11 0 "[ . 1 . 2]" 1
852 1 55 VAL HA 1 129 ASN HD22 . . 5.000 4.595 3.456 5.081 0.081 6 0 "[ . 1 . 2]" 1
853 1 55 VAL HB 1 129 ASN H . . 5.500 3.456 2.435 4.529 . 0 0 "[ . 1 . 2]" 1
854 1 56 LEU H 1 128 THR HA . . 5.000 3.785 3.520 4.115 . 0 0 "[ . 1 . 2]" 1
855 1 56 LEU H 1 128 THR HB . . 5.500 5.664 5.531 5.801 0.301 6 0 "[ . 1 . 2]" 1
856 1 56 LEU HB2 1 127 VAL H . . 5.500 5.543 5.372 5.658 0.158 13 0 "[ . 1 . 2]" 1
857 1 56 LEU H 1 127 VAL H . . 5.500 3.590 3.251 3.921 . 0 0 "[ . 1 . 2]" 1
858 1 57 CYS HA 1 126 LEU HA . . 3.300 2.486 2.190 2.916 . 0 0 "[ . 1 . 2]" 1
859 1 58 LEU H 1 125 VAL HB . . 5.500 5.331 4.446 5.661 0.161 9 0 "[ . 1 . 2]" 1
860 1 58 LEU HB2 1 125 VAL H . . 5.000 3.374 2.880 4.069 . 0 0 "[ . 1 . 2]" 1
861 1 58 LEU HB2 1 126 LEU H . . 5.500 5.486 5.215 5.639 0.139 7 0 "[ . 1 . 2]" 1
862 1 59 LEU HA 1 124 CYS HA . . 3.300 2.614 2.183 3.116 . 0 0 "[ . 1 . 2]" 1
863 1 59 LEU MD1 1 124 CYS HA . . 5.500 4.666 2.860 5.599 0.099 8 0 "[ . 1 . 2]" 1
864 1 59 LEU MD2 1 124 CYS HA . . 5.000 3.879 2.965 5.053 0.053 20 0 "[ . 1 . 2]" 1
865 1 59 LEU MD2 1 125 VAL H . . 5.000 3.942 3.140 5.052 0.052 20 0 "[ . 1 . 2]" 1
866 1 59 LEU HA 1 125 VAL H . . 5.500 3.722 3.304 4.164 . 0 0 "[ . 1 . 2]" 1
867 1 60 ALA H 1 124 CYS HA . . 5.000 3.024 2.613 3.610 . 0 0 "[ . 1 . 2]" 1
868 1 93 SER H 1 160 ILE O . . 1.800 1.900 1.833 1.999 0.199 3 0 "[ . 1 . 2]" 1
869 1 93 SER N 1 160 ILE O . . 2.700 2.877 2.816 3.002 0.302 3 0 "[ . 1 . 2]" 1
870 1 91 ARG H 1 158 PRO O . . 1.800 2.215 2.065 2.349 0.549 7 3 "[ .-+ *1 . 2]" 1
871 1 91 ARG N 1 158 PRO O . . 2.700 3.202 3.068 3.347 0.647 7 12 "[ **+***** -* **2]" 1
872 1 91 ARG O 1 160 ILE H . . 1.800 2.391 2.169 2.480 0.680 14 18 "[* **********+***-**]" 1
873 1 91 ARG O 1 160 ILE N . . 2.700 3.302 3.093 3.367 0.667 19 18 "[* **********-****+*]" 1
874 1 91 ARG H 1 157 VAL HA . . 5.500 5.392 4.609 5.618 0.118 13 0 "[ . 1 . 2]" 1
875 1 91 ARG H 1 159 VAL HA . . 5.000 3.183 2.724 3.703 . 0 0 "[ . 1 . 2]" 1
876 1 91 ARG H 1 160 ILE H . . 5.500 4.638 4.287 4.876 . 0 0 "[ . 1 . 2]" 1
877 1 14 GLU HB2 1 146 PHE H . . 5.500 5.196 4.361 5.593 0.093 10 0 "[ . 1 . 2]" 1
878 1 19 VAL H 1 146 PHE HD2 . . 5.500 5.680 5.624 5.721 0.221 2 0 "[ . 1 . 2]" 1
879 1 19 VAL MG1 1 146 PHE HD2 . . 3.300 2.037 1.982 2.117 . 0 0 "[ . 1 . 2]" 1
880 1 19 VAL MG2 1 146 PHE HD2 . . 3.300 2.477 2.393 2.543 . 0 0 "[ . 1 . 2]" 1
881 1 19 VAL MG1 1 146 PHE HE2 . . 5.000 2.706 2.326 2.973 . 0 0 "[ . 1 . 2]" 1
882 1 19 VAL MG2 1 146 PHE HE2 . . 5.000 3.346 3.090 3.725 . 0 0 "[ . 1 . 2]" 1
883 1 19 VAL MG2 1 146 PHE HZ . . 5.500 4.284 3.981 4.812 . 0 0 "[ . 1 . 2]" 1
884 1 19 VAL MG1 1 146 PHE HB2 . . 5.000 4.048 3.913 4.209 . 0 0 "[ . 1 . 2]" 1
885 1 19 VAL MG2 1 146 PHE HB2 . . 5.000 2.671 2.378 3.073 . 0 0 "[ . 1 . 2]" 1
886 1 19 VAL MG1 1 146 PHE HA . . 5.500 5.583 5.537 5.664 0.164 2 0 "[ . 1 . 2]" 1
887 1 19 VAL MG2 1 146 PHE HA . . 5.000 4.539 4.286 4.864 . 0 0 "[ . 1 . 2]" 1
888 1 20 GLY H 1 160 ILE MG . . 5.500 3.702 3.508 3.808 . 0 0 "[ . 1 . 2]" 1
889 1 21 ASP H 1 160 ILE MG . . 5.500 5.540 5.351 5.587 0.087 3 0 "[ . 1 . 2]" 1
890 1 21 ASP H 1 162 LEU HB2 . . 5.500 4.218 3.695 4.950 . 0 0 "[ . 1 . 2]" 1
891 1 22 ALA MB 1 142 GLN H . . 5.500 4.538 4.354 4.780 . 0 0 "[ . 1 . 2]" 1
892 1 22 ALA H 1 143 LEU MD1 . . 5.500 4.171 3.950 5.053 . 0 0 "[ . 1 . 2]" 1
893 1 22 ALA H 1 143 LEU MD2 . . 5.500 5.236 3.644 5.455 . 0 0 "[ . 1 . 2]" 1
894 1 23 LEU MD1 1 25 GLU H . . 5.500 5.156 4.641 5.443 . 0 0 "[ . 1 . 2]" 1
895 1 23 LEU MD1 1 58 LEU H . . 5.500 5.337 4.770 5.622 0.122 14 0 "[ . 1 . 2]" 1
896 1 23 LEU QD 1 92 VAL H . . 5.500 5.405 4.538 5.885 0.385 13 0 "[ . 1 . 2]" 1
897 1 24 GLU H 1 162 LEU MD1 . . 5.000 4.174 3.433 5.069 0.069 10 0 "[ . 1 . 2]" 1
898 1 25 GLU H 1 140 LEU MD2 . . 5.500 5.698 5.570 5.768 0.268 17 0 "[ . 1 . 2]" 1
899 1 26 VAL HB 1 28 SER H . . 5.000 5.091 5.029 5.200 0.200 4 0 "[ . 1 . 2]" 1
900 1 26 VAL H 1 137 ASP QB . . 5.500 5.373 4.972 5.599 0.099 12 0 "[ . 1 . 2]" 1
901 1 26 VAL MG2 1 139 ALA H . . 5.500 3.859 3.489 4.256 . 0 0 "[ . 1 . 2]" 1
902 1 26 VAL MG2 1 143 LEU H . . 5.500 5.568 5.455 5.637 0.137 3 0 "[ . 1 . 2]" 1
903 1 28 SER HA 1 108 ALA H . . 5.500 5.463 4.844 5.733 0.233 1 0 "[ . 1 . 2]" 1
904 1 29 LYS HB2 1 32 SER H . . 5.500 5.555 5.477 5.596 0.096 15 0 "[ . 1 . 2]" 1
905 1 29 LYS H 1 101 LEU MD1 . . 5.500 5.453 4.984 5.665 0.165 3 0 "[ . 1 . 2]" 1
906 1 29 LYS HB2 1 135 TRP HH2 . . 5.500 3.126 2.759 3.365 . 0 0 "[ . 1 . 2]" 1
907 1 29 LYS HG2 1 135 TRP HH2 . . 5.500 5.451 5.172 5.582 0.082 18 0 "[ . 1 . 2]" 1
908 1 29 LYS HB2 1 135 TRP HZ2 . . 5.500 5.494 5.155 5.603 0.103 8 0 "[ . 1 . 2]" 1
909 1 29 LYS HB2 1 135 TRP HZ3 . . 5.500 2.997 2.346 3.942 . 0 0 "[ . 1 . 2]" 1
910 1 30 ALA H 1 127 VAL MG2 . . 5.500 5.252 4.638 5.556 0.056 7 0 "[ . 1 . 2]" 1
911 1 30 ALA MB 1 135 TRP HZ2 . . 5.500 2.732 2.260 3.433 . 0 0 "[ . 1 . 2]" 1
912 1 30 ALA MB 1 135 TRP HH2 . . 5.500 2.685 2.120 3.064 . 0 0 "[ . 1 . 2]" 1
913 1 30 ALA HA 1 135 TRP HZ2 . . 5.000 2.851 2.267 3.585 . 0 0 "[ . 1 . 2]" 1
914 1 30 ALA HA 1 135 TRP HH2 . . 5.000 2.527 2.203 3.315 . 0 0 "[ . 1 . 2]" 1
915 1 30 ALA HA 1 135 TRP HZ3 . . 5.500 4.844 4.353 5.519 0.019 16 0 "[ . 1 . 2]" 1
916 1 31 LEU HG 1 33 GLN H . . 5.500 5.551 5.390 5.620 0.120 5 0 "[ . 1 . 2]" 1
917 1 31 LEU MD1 1 35 THR H . . 5.500 5.323 4.451 5.557 0.057 4 0 "[ . 1 . 2]" 1
918 1 32 SER H 1 105 GLU HG2 . . 5.500 5.239 4.052 5.602 0.102 8 0 "[ . 1 . 2]" 1
919 1 33 GLN H 1 35 THR MG . . 5.500 4.945 4.008 5.623 0.123 7 0 "[ . 1 . 2]" 1
920 1 37 THR HA 1 42 GLU HB3 . . 5.500 5.496 5.194 5.643 0.143 6 0 "[ . 1 . 2]" 1
921 1 38 VAL MG2 1 40 VAL H . . 5.500 5.317 4.965 5.594 0.094 6 0 "[ . 1 . 2]" 1
922 1 38 VAL H 1 42 GLU HB2 . . 5.500 5.020 4.342 5.589 0.089 14 0 "[ . 1 . 2]" 1
923 1 39 GLY H 1 125 VAL HB . . 5.500 5.226 4.127 5.645 0.145 18 0 "[ . 1 . 2]" 1
924 1 39 GLY HA3 1 123 HIS H . . 5.500 5.102 4.387 5.527 0.027 18 0 "[ . 1 . 2]" 1
925 1 39 GLY HA3 1 124 CYS H . . 5.500 4.983 4.311 5.396 . 0 0 "[ . 1 . 2]" 1
926 1 40 VAL MG2 1 59 LEU MD1 . . 5.500 4.552 2.932 5.535 0.035 12 0 "[ . 1 . 2]" 1
927 1 40 VAL MG1 1 71 LEU MD1 . . 5.500 2.910 2.105 4.761 . 0 0 "[ . 1 . 2]" 1
928 1 40 VAL MG2 1 71 LEU MD2 . . 5.500 3.457 2.218 4.947 . 0 0 "[ . 1 . 2]" 1
929 1 40 VAL MG1 1 75 PHE HB3 . . 5.500 5.513 5.208 5.762 0.262 8 0 "[ . 1 . 2]" 1
930 1 40 VAL MG2 1 75 PHE HD1 . . 5.500 3.983 2.566 4.471 . 0 0 "[ . 1 . 2]" 1
931 1 40 VAL HA 1 75 PHE HE1 . . 5.500 4.852 4.104 5.594 0.094 19 0 "[ . 1 . 2]" 1
932 1 40 VAL H 1 121 ASP HB2 . . 5.500 4.849 2.383 5.637 0.137 3 0 "[ . 1 . 2]" 1
933 1 40 VAL MG1 1 123 HIS H . . 5.500 5.163 4.075 5.589 0.089 14 0 "[ . 1 . 2]" 1
934 1 40 VAL MG2 1 123 HIS H . . 5.000 3.176 1.863 5.138 0.138 8 0 "[ . 1 . 2]" 1
935 1 40 VAL MG1 1 124 CYS H . . 5.500 5.199 3.981 5.525 0.025 13 0 "[ . 1 . 2]" 1
936 1 40 VAL MG1 1 124 CYS HB2 . . 5.500 3.245 2.037 4.149 . 0 0 "[ . 1 . 2]" 1
937 1 40 VAL MG2 1 124 CYS H . . 5.500 3.740 2.816 5.523 0.023 19 0 "[ . 1 . 2]" 1
938 1 41 TYR HB2 1 71 LEU MD1 . . 5.500 5.584 5.523 5.699 0.199 12 0 "[ . 1 . 2]" 1
939 1 46 LEU MD2 1 59 LEU MD1 . . 5.500 5.546 5.181 5.658 0.158 20 0 "[ . 1 . 2]" 1
940 1 47 LEU QD 1 81 PHE HE1 . . 5.500 4.882 3.635 6.162 0.662 20 1 "[ . 1 . +]" 1
941 1 53 ASN H 1 87 ILE MD . . 5.500 5.533 5.172 5.629 0.129 11 0 "[ . 1 . 2]" 1
942 1 54 VAL MG1 1 85 ASN H . . 5.500 5.488 4.713 5.640 0.140 7 0 "[ . 1 . 2]" 1
943 1 54 VAL QG 1 86 ASP H . . 5.500 5.295 2.851 6.320 0.820 19 5 "[* -. * 1* . +2]" 1
944 1 56 LEU MD2 1 89 ILE H . . 5.500 5.337 4.149 5.577 0.077 18 0 "[ . 1 . 2]" 1
945 1 56 LEU HA 1 89 ILE H . . 5.500 5.022 4.609 5.510 0.010 7 0 "[ . 1 . 2]" 1
946 1 56 LEU HB2 1 89 ILE H . . 5.500 5.269 4.085 5.718 0.218 4 0 "[ . 1 . 2]" 1
947 1 56 LEU HG 1 89 ILE HA . . 5.500 4.495 2.892 5.659 0.159 2 0 "[ . 1 . 2]" 1
948 1 58 LEU MD1 1 91 ARG HA . . 5.500 4.316 3.114 5.400 . 0 0 "[ . 1 . 2]" 1
949 1 59 LEU MD1 1 75 PHE HD1 . . 5.000 3.889 2.756 5.096 0.096 8 0 "[ . 1 . 2]" 1
950 1 59 LEU MD2 1 75 PHE HD1 . . 5.000 4.879 4.408 5.108 0.108 18 0 "[ . 1 . 2]" 1
951 1 59 LEU MD1 1 75 PHE HE1 . . 5.500 4.126 2.505 5.333 . 0 0 "[ . 1 . 2]" 1
952 1 59 LEU MD2 1 75 PHE HE1 . . 5.500 4.849 4.270 5.518 0.018 5 0 "[ . 1 . 2]" 1
953 1 59 LEU MD2 1 75 PHE HZ . . 5.500 4.893 4.056 5.575 0.075 13 0 "[ . 1 . 2]" 1
954 1 59 LEU MD1 1 78 ILE MG . . 5.500 2.351 1.889 4.261 . 0 0 "[ . 1 . 2]" 1
955 1 59 LEU MD2 1 79 GLN H . . 5.500 5.193 4.258 5.595 0.095 10 0 "[ . 1 . 2]" 1
956 1 60 ALA H 1 75 PHE HE1 . . 5.500 4.417 3.565 5.046 . 0 0 "[ . 1 . 2]" 1
957 1 60 ALA H 1 75 PHE HZ . . 5.500 2.777 2.368 3.313 . 0 0 "[ . 1 . 2]" 1
958 1 60 ALA MB 1 97 ARG H . . 5.500 5.489 5.042 5.612 0.112 15 0 "[ . 1 . 2]" 1
959 1 61 ALA H 1 92 VAL HA . . 5.500 5.205 4.745 5.421 . 0 0 "[ . 1 . 2]" 1
960 1 61 ALA MB 1 93 SER H . . 5.500 5.538 5.305 5.605 0.105 12 0 "[ . 1 . 2]" 1
961 1 61 ALA MB 1 75 PHE HD1 . . 5.500 5.574 5.506 5.673 0.173 18 0 "[ . 1 . 2]" 1
962 1 61 ALA MB 1 75 PHE HE1 . . 5.000 4.895 4.324 5.113 0.113 6 0 "[ . 1 . 2]" 1
963 1 61 ALA MB 1 75 PHE HZ . . 5.000 3.335 2.360 3.780 . 0 0 "[ . 1 . 2]" 1
964 1 62 ASP HB3 1 64 ASP H . . 5.500 2.670 1.938 3.306 . 0 0 "[ . 1 . 2]" 1
965 1 62 ASP H 1 65 ASP HA . . 5.500 5.092 4.873 5.533 0.033 6 0 "[ . 1 . 2]" 1
966 1 62 ASP H 1 95 PRO HB2 . . 5.500 5.174 4.612 5.623 0.123 6 0 "[ . 1 . 2]" 1
967 1 62 ASP H 1 71 LEU MD1 . . 5.500 5.281 4.588 5.569 0.069 7 0 "[ . 1 . 2]" 1
968 1 63 GLU HB2 1 65 ASP H . . 5.500 5.223 4.832 5.563 0.063 19 0 "[ . 1 . 2]" 1
969 1 64 ASP HB3 1 67 ARG H . . 5.500 5.539 5.383 5.625 0.125 16 0 "[ . 1 . 2]" 1
970 1 65 ASP H 1 67 ARG HD2 . . 5.500 5.037 4.565 5.573 0.073 9 0 "[ . 1 . 2]" 1
971 1 65 ASP HA 1 71 LEU MD1 . . 5.500 4.574 3.775 5.261 . 0 0 "[ . 1 . 2]" 1
972 1 68 ASP HB2 1 69 VAL H . . 5.500 4.569 4.121 4.689 . 0 0 "[ . 1 . 2]" 1
973 1 68 ASP HB2 1 70 ALA H . . 5.500 5.101 3.724 5.334 . 0 0 "[ . 1 . 2]" 1
974 1 69 VAL MG2 1 73 ILE H . . 5.500 5.130 4.517 5.315 . 0 0 "[ . 1 . 2]" 1
975 1 71 LEU MD2 1 75 PHE HB3 . . 5.500 5.418 5.123 5.634 0.134 9 0 "[ . 1 . 2]" 1
976 1 71 LEU MD1 1 123 HIS HB2 . . 5.500 4.436 3.207 5.579 0.079 5 0 "[ . 1 . 2]" 1
977 1 71 LEU MD1 1 123 HIS HD2 . . 5.500 3.486 2.183 5.360 . 0 0 "[ . 1 . 2]" 1
978 1 71 LEU MD2 1 123 HIS HD2 . . 5.500 3.648 2.314 5.463 . 0 0 "[ . 1 . 2]" 1
979 1 72 GLN HG2 1 73 ILE H . . 5.500 4.609 4.273 4.866 . 0 0 "[ . 1 . 2]" 1
980 1 73 ILE HB 1 76 THR H . . 5.500 5.575 5.480 5.636 0.136 1 0 "[ . 1 . 2]" 1
981 1 75 PHE HZ 1 123 HIS HB3 . . 5.500 4.653 3.003 5.608 0.108 2 0 "[ . 1 . 2]" 1
982 1 75 PHE HZ 1 123 HIS HD2 . . 5.500 4.366 2.316 5.600 0.100 16 0 "[ . 1 . 2]" 1
983 1 75 PHE HE1 1 123 HIS HD2 . . 5.500 4.502 2.615 5.532 0.032 20 0 "[ . 1 . 2]" 1
984 1 76 THR HB 1 79 GLN H . . 5.500 5.520 5.333 5.584 0.084 1 0 "[ . 1 . 2]" 1
985 1 77 LEU HG 1 79 GLN H . . 5.000 5.183 5.143 5.248 0.248 10 0 "[ . 1 . 2]" 1
986 1 77 LEU HG 1 81 PHE HD1 . . 5.500 5.191 4.535 5.518 0.018 15 0 "[ . 1 . 2]" 1
987 1 77 LEU HA 1 81 PHE HE1 . . 5.500 4.907 4.627 5.283 . 0 0 "[ . 1 . 2]" 1
988 1 78 ILE MG 1 82 CYS H . . 5.500 4.740 3.421 5.523 0.023 8 0 "[ . 1 . 2]" 1
989 1 78 ILE HG12 1 82 CYS H . . 5.500 4.601 3.737 5.603 0.103 18 0 "[ . 1 . 2]" 1
990 1 80 ALA H 1 83 CYS HB2 . . 5.500 4.845 4.493 5.068 . 0 0 "[ . 1 . 2]" 1
991 1 82 CYS HB2 1 84 GLU H . . 5.500 5.374 5.077 5.629 0.129 18 0 "[ . 1 . 2]" 1
992 1 84 GLU HG2 1 86 ASP H . . 5.500 5.559 4.909 5.728 0.228 20 0 "[ . 1 . 2]" 1
993 1 85 ASN H 1 87 ILE H . . 5.500 4.826 3.588 5.654 0.154 15 0 "[ . 1 . 2]" 1
994 1 85 ASN HB2 1 87 ILE H . . 5.500 4.847 3.991 5.628 0.128 9 0 "[ . 1 . 2]" 1
995 1 88 ASN HD22 1 157 VAL MG1 . . 5.500 5.435 4.593 5.582 0.082 13 0 "[ . 1 . 2]" 1
996 1 89 ILE HA 1 157 VAL MG1 . . 5.500 4.559 3.911 5.543 0.043 1 0 "[ . 1 . 2]" 1
997 1 90 LEU HB2 1 159 VAL HA . . 5.500 5.416 4.639 5.675 0.175 5 0 "[ . 1 . 2]" 1
998 1 90 LEU MD1 1 146 PHE HD2 . . 5.500 4.005 2.765 5.300 . 0 0 "[ . 1 . 2]" 1
999 1 91 ARG HA 1 157 VAL MG2 . . 5.500 5.075 4.269 5.556 0.056 1 0 "[ . 1 . 2]" 1
1000 1 91 ARG H 1 157 VAL QG . . 5.500 3.667 2.955 4.211 . 0 0 "[ . 1 . 2]" 1
1001 1 91 ARG H 1 157 VAL HB . . 5.500 3.461 3.014 3.914 . 0 0 "[ . 1 . 2]" 1
1002 1 92 VAL HB 1 94 ASN H . . 5.500 2.763 2.384 3.364 . 0 0 "[ . 1 . 2]" 1
1003 1 92 VAL MG1 1 94 ASN H . . 5.500 4.350 4.054 4.728 . 0 0 "[ . 1 . 2]" 1
1004 1 92 VAL MG2 1 94 ASN H . . 5.000 2.839 2.457 4.230 . 0 0 "[ . 1 . 2]" 1
1005 1 93 SER H 1 160 ILE H . . 5.500 3.547 3.332 3.801 . 0 0 "[ . 1 . 2]" 1
1006 1 93 SER HB3 1 160 ILE H . . 5.500 5.026 4.645 5.294 . 0 0 "[ . 1 . 2]" 1
1007 1 93 SER HB2 1 160 ILE HA . . 5.000 5.002 4.720 5.313 0.313 19 0 "[ . 1 . 2]" 1
1008 1 93 SER HB3 1 160 ILE HA . . 5.000 5.006 4.816 5.085 0.085 1 0 "[ . 1 . 2]" 1
1009 1 93 SER H 1 161 ASN H . . 5.500 4.725 4.507 4.973 . 0 0 "[ . 1 . 2]" 1
1010 1 93 SER H 1 162 LEU MD2 . . 5.500 4.911 4.288 5.579 0.079 6 0 "[ . 1 . 2]" 1
1011 1 94 ASN H 1 162 LEU H . . 5.500 4.533 3.892 4.875 . 0 0 "[ . 1 . 2]" 1
1012 1 94 ASN HB3 1 162 LEU H . . 5.500 3.321 2.486 4.334 . 0 0 "[ . 1 . 2]" 1
1013 1 94 ASN HD21 1 162 LEU H . . 5.500 4.414 3.722 5.522 0.022 18 0 "[ . 1 . 2]" 1
1014 1 95 PRO HB2 1 99 ALA H . . 5.500 4.726 4.357 5.210 . 0 0 "[ . 1 . 2]" 1
1015 1 97 ARG H 1 162 LEU MD1 . . 5.500 5.072 4.379 5.609 0.109 10 0 "[ . 1 . 2]" 1
1016 1 98 LEU H 1 100 GLU H . . 5.500 4.092 3.909 4.305 . 0 0 "[ . 1 . 2]" 1
1017 1 98 LEU H 1 162 LEU MD2 . . 5.500 3.390 2.759 4.455 . 0 0 "[ . 1 . 2]" 1
1018 1 98 LEU MD2 1 100 GLU H . . 5.500 5.364 4.702 5.647 0.147 8 0 "[ . 1 . 2]" 1
1019 1 99 ALA HA 1 103 LEU H . . 5.500 4.929 4.124 5.495 . 0 0 "[ . 1 . 2]" 1
1020 1 99 ALA H 1 162 LEU MD2 . . 5.500 5.585 5.020 5.830 0.330 6 0 "[ . 1 . 2]" 1
1021 1 100 GLU HA 1 103 LEU H . . 5.500 3.617 3.291 4.162 . 0 0 "[ . 1 . 2]" 1
1022 1 104 LEU HG 1 165 ARG HE . . 5.500 5.044 2.213 5.628 0.128 18 0 "[ . 1 . 2]" 1
1023 1 104 LEU MD1 1 165 ARG HE . . 5.500 4.127 2.060 5.546 0.046 8 0 "[ . 1 . 2]" 1
1024 1 121 ASP HB2 1 123 HIS H . . 5.000 4.460 3.072 4.965 . 0 0 "[ . 1 . 2]" 1
1025 1 121 ASP H 1 123 HIS H . . 5.000 4.997 4.484 5.173 0.173 3 0 "[ . 1 . 2]" 1
1026 1 127 VAL MG1 1 135 TRP HZ2 . . 5.500 3.580 2.729 4.438 . 0 0 "[ . 1 . 2]" 1
1027 1 127 VAL MG2 1 135 TRP HD1 . . 5.500 5.480 5.100 5.636 0.136 12 0 "[ . 1 . 2]" 1
1028 1 127 VAL MG1 1 135 TRP HE1 . . 5.000 2.812 2.264 3.151 . 0 0 "[ . 1 . 2]" 1
1029 1 127 VAL MG2 1 135 TRP HE1 . . 5.000 4.887 3.727 5.040 0.040 5 0 "[ . 1 . 2]" 1
1030 1 127 VAL MG1 1 135 TRP HE3 . . 5.500 4.171 3.811 5.206 . 0 0 "[ . 1 . 2]" 1
1031 1 127 VAL MG2 1 135 TRP HE3 . . 5.500 5.544 5.434 5.629 0.129 12 0 "[ . 1 . 2]" 1
1032 1 127 VAL MG1 1 135 TRP HZ3 . . 5.500 4.908 4.490 5.384 . 0 0 "[ . 1 . 2]" 1
1033 1 128 THR HB 1 135 TRP HE1 . . 5.500 5.406 4.656 5.673 0.173 12 0 "[ . 1 . 2]" 1
1034 1 129 ASN HA 1 135 TRP HB2 . . 5.500 4.531 4.225 5.622 0.122 12 0 "[ . 1 . 2]" 1
1035 1 129 ASN HA 1 135 TRP HB3 . . 5.500 5.558 4.293 5.704 0.204 11 0 "[ . 1 . 2]" 1
1036 1 129 ASN HA 1 135 TRP HD1 . . 5.000 2.319 2.022 2.670 . 0 0 "[ . 1 . 2]" 1
1037 1 129 ASN HA 1 135 TRP HE1 . . 5.000 3.074 2.722 3.399 . 0 0 "[ . 1 . 2]" 1
1038 1 129 ASN HB2 1 135 TRP HD1 . . 5.500 3.847 3.361 4.254 . 0 0 "[ . 1 . 2]" 1
1039 1 129 ASN HB3 1 135 TRP HD1 . . 5.500 2.915 2.122 4.444 . 0 0 "[ . 1 . 2]" 1
1040 1 129 ASN HB2 1 135 TRP HE1 . . 5.500 5.460 4.963 5.655 0.155 9 0 "[ . 1 . 2]" 1
1041 1 135 TRP HE3 1 137 ASP HB2 . . 5.500 3.341 2.228 4.704 . 0 0 "[ . 1 . 2]" 1
1042 1 135 TRP HE3 1 137 ASP HB3 . . 5.500 4.177 2.435 5.568 0.068 18 0 "[ . 1 . 2]" 1
1043 1 137 ASP HB2 1 139 ALA H . . 5.000 4.279 2.750 4.882 . 0 0 "[ . 1 . 2]" 1
1044 1 137 ASP HB2 1 140 LEU H . . 5.000 3.566 2.445 4.299 . 0 0 "[ . 1 . 2]" 1
1045 1 137 ASP HB2 1 141 SER H . . 5.500 5.102 4.381 5.592 0.092 5 0 "[ . 1 . 2]" 1
1046 1 140 LEU QD 1 142 GLN H . . 5.500 4.968 4.830 5.070 . 0 0 "[ . 1 . 2]" 1
1047 1 140 LEU MD1 1 145 CYS H . . 5.500 5.557 5.392 5.606 0.106 4 0 "[ . 1 . 2]" 1
1048 1 143 LEU HA 1 146 PHE HD2 . . 5.500 3.756 3.341 3.966 . 0 0 "[ . 1 . 2]" 1
1049 1 144 ILE MG 1 148 ARG H . . 5.500 4.288 3.910 5.351 . 0 0 "[ . 1 . 2]" 1
1050 1 146 PHE HD2 1 158 PRO HB2 . . 5.500 4.741 3.578 5.527 0.027 2 0 "[ . 1 . 2]" 1
1051 1 146 PHE HZ 1 158 PRO HB2 . . 5.500 3.654 2.432 5.074 . 0 0 "[ . 1 . 2]" 1
1052 1 146 PHE HE2 1 158 PRO HB2 . . 5.500 3.171 2.448 4.158 . 0 0 "[ . 1 . 2]" 1
1053 1 146 PHE HZ 1 159 VAL MG2 . . 5.500 5.501 5.202 5.554 0.054 12 0 "[ . 1 . 2]" 1
1054 1 146 PHE HZ 1 160 ILE HB . . 5.500 4.268 3.555 5.574 0.074 2 0 "[ . 1 . 2]" 1
1055 1 146 PHE HE2 1 160 ILE HB . . 5.500 3.360 2.553 4.468 . 0 0 "[ . 1 . 2]" 1
1056 1 146 PHE HZ 1 160 ILE MD . . 5.500 3.392 2.301 5.532 0.032 4 0 "[ . 1 . 2]" 1
1057 1 146 PHE HE2 1 160 ILE MD . . 5.500 3.365 2.154 4.719 . 0 0 "[ . 1 . 2]" 1
1058 1 146 PHE HD2 1 160 ILE MD . . 5.500 4.726 3.745 5.557 0.057 4 0 "[ . 1 . 2]" 1
1059 1 146 PHE HZ 1 160 ILE MG . . 5.500 5.041 4.487 5.537 0.037 9 0 "[ . 1 . 2]" 1
1060 1 149 GLU HB2 1 152 TYR H . . 5.500 5.587 5.531 5.627 0.127 6 0 "[ . 1 . 2]" 1
1061 1 151 ARG HA 1 157 VAL H . . 5.500 5.463 4.602 5.583 0.083 8 0 "[ . 1 . 2]" 1
1062 1 161 ASN HD21 1 162 LEU H . . 5.500 5.015 3.929 5.552 0.052 10 0 "[ . 1 . 2]" 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 8
_Distance_constraint_stats_list.Viol_count 160
_Distance_constraint_stats_list.Viol_total 1551.539
_Distance_constraint_stats_list.Viol_max 0.670
_Distance_constraint_stats_list.Viol_rms 0.1012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4849
_Distance_constraint_stats_list.Viol_average_violations_only 0.4849
_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 62 ASP 22.115 0.670 15 18 "[* *** ********+**-**]"
1 63 GLU 21.816 0.615 12 20 [*********-*+********]
1 64 ASP 16.836 0.603 12 6 "[ * . * - + ** 2]"
1 65 ASP 38.925 0.670 15 20 [**************+**-**]
1 66 ASP 21.816 0.615 12 20 [*********-*+********]
1 67 ARG 16.836 0.603 12 6 "[ * . * - + ** 2]"
1 68 ASP 16.809 0.617 8 9 "[ * ** +-1 ***. *2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 62 ASP O 1 65 ASP H . . 1.800 2.385 2.110 2.470 0.670 15 18 "[* *** *-******+*****]" 2
2 1 62 ASP O 1 65 ASP N . . 2.700 3.221 3.065 3.275 0.575 14 15 "[* ** ***** *+* *-**]" 2
3 1 63 GLU O 1 66 ASP H . . 1.800 2.340 2.279 2.415 0.615 12 19 "[******* *-*+********]" 2
4 1 63 GLU O 1 66 ASP N . . 2.700 3.251 3.218 3.296 0.596 14 20 [********-****+******] 2
5 1 64 ASP O 1 67 ARG H . . 1.800 2.190 2.057 2.403 0.603 12 1 "[ . 1 + . 2]" 2
6 1 64 ASP O 1 67 ARG N . . 2.700 3.152 3.013 3.244 0.544 7 6 "[ * . + - * ** 2]" 2
7 1 65 ASP O 1 68 ASP H . . 1.800 2.188 2.004 2.417 0.617 8 3 "[ . + 1 * -. 2]" 2
8 1 65 ASP O 1 68 ASP N . . 2.700 3.152 2.987 3.289 0.589 8 9 "[ * ** +-1 ***. *2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:05:15 AM GMT (wattos1)