NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646179 | 6oh1 | 27839 | cing | 1-original | 2 | unknown | unknown |
$ DATA RESTRAINT_VIOLATIONS $ TABLE #RECORDS 472 #ITEMS 21 Chn Resnm Res Atom Chn Resnm Res Atom Type LoBnd UpBnd Str_01 Str_02 Str_03 Str_04 Str_05 Str_06 Str_07 Str_08 Str_09 Str_10 _ GLU 59 HN _ GLU 60 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 82 HN _ LYS 83 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ GLU 16 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HN _ LYS 58 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 39 HN _ GLU 79 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 78 HN _ GLU 79 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 37 HN _ GLU 79 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HN _ GLU 27 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 17 HN _ LYS 18 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ GLU 49 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 24 HN _ VAL 78 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HN _ THR 71 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLY 45 HN _ LYS 46 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 74 HN _ SER 74 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 HA _ GLY 34 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 9 HA _ TYR 10 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 61 HN _ SER 62 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HA _ VAL 61 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 56 HN _ VAL 61 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HA _ SER 62 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HA _ VAL 56 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB1 _ ASN 57 HD21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB2 _ ASN 57 HD22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB1 _ LYS 58 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB2 _ LYS 58 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ SER 55 HN 4 0. 5.00 0.07 0.13 0.10 0.06 0.03 0.07 0.04 0. 0. 0.03 _ VAL 56 HN _ GLU 59 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HN _ SER 55 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 11 HN _ SER 55 HN 4 0. 5.00 0. 0. 0.06 0. 0. 0. 0. 0.06 0. 0.08 _ ALA 32 HA _ GLU 33 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HA _ GLN 40 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLY 81 HN _ THR 82 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HN _ GLY 81 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 80 HA _ GLY 81 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HB _ GLY 81 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB1 _ GLY 81 HN 4 0. 6.00 0. 0. 0.21 0. 0. 0. 0.20 0.01 0. 0.08 _ LYS 46 HN _ THR 71 QG2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ GLY 45 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ ASN 28 HD21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ ASN 28 HD22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HB _ ALA 72 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HN _ PRO 73 HD2 2 0. 5.00 0.04 0.02 0.03 0. 0.01 0. 0.03 0.03 0.04 0.04 _ LYS 83 HN _ LYS 84 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 9 QB _ TYR 10 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ PHE 54 QD 4 0. 6.00 1.27 0.72 1.23 1.29 1.42 1.21 1.28 1.43 1.33 1.54 _ LEU 9 HN _ TYR 10 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ ARG 11 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 39 HN _ GLN 40 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 14 HN _ ILE 15 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HN _ GLU 24 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HA _ GLU 24 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 78 HN _ GLU 79 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 78 HN _ VAL 78 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ GLN 26 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 79 HN _ LYS 80 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HN _ GLU 79 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 78 HA _ GLU 79 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HN _ ALA 72 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HN _ THR 35 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 HA _ THR 35 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB1 _ LEU 31 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HN _ ASN 28 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 QB _ VAL 61 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB1 _ GLN 22 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 QB _ LYS 58 HN 3 0. 5.00 0.20 0.13 0. 0.34 0.31 0.20 0. 0.08 0. 0. _ ASN 57 HA _ GLU 59 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0.03 0. 0. _ SER 55 QB _ GLU 60 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 65 HN _ ILE 65 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 43 HN _ SER 74 HB2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 43 HN _ SER 74 HB1 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ LYS 46 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ ASP 20 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 18 HN _ ILE 19 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 66 HN _ SER 67 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ LYS 46 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE21 _ SER 74 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE21 _ ILE 77 QD1 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE22 _ ILE 77 QD1 4 0. 6.00 0.04 0.01 0. 0.09 0. 0.03 0.07 0. 0. 0. _ LYS 43 HN _ SER 74 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 HE22 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 HE21 1 0. 6.00 0. 0. 0. 0. 0. 0.01 0. 0. 0. 0. _ PHE 54 QD _ SER 62 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HN _ PHE 21 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HA _ ASN 57 HD22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HA _ ASN 57 HD21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HA _ THR 14 HN 3 0. 6.00 0.20 0.22 0. 0.13 0.30 0.14 0.14 0. 0.24 0. _ ILE 65 HA _ SER 67 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 68 HA _ SER 69 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ LEU 44 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ ARG 11 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HB _ VAL 36 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 QD _ LEU 44 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 QE _ LEU 44 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0.33 0. _ ILE 50 HN _ SER 67 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 49 HA _ ILE 50 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 48 HN _ SER 69 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 58 HN _ GLU 59 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 9 HN _ SER 55 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 13 HN _ THR 14 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ SER 55 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HB1 _ SER 55 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HB2 _ SER 55 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QB _ SER 55 HN 4 0. 6.00 0.21 0.07 0.01 0.27 0.15 0.27 0.25 0. 0.16 0. _ LEU 9 HN _ PHE 54 QD 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HE22 _ ILE 77 QG2 4 0. 5.00 0.18 0.52 0.02 0.57 0.45 0.67 0.39 0.52 0. 0. _ ILE 50 HN _ ILE 50 HG12 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 QD _ GLN 22 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB2 _ GLN 22 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLY 34 HN _ THR 35 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HA _ GLN 22 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 16 HA _ THR 17 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ ILE 15 HG11 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ ILE 15 HG12 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ ILE 15 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 73 HA _ SER 74 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 48 HN _ GLU 49 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 49 HA _ SER 67 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0.05 0. 0.10 _ GLU 33 HN _ GLY 34 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HN _ LEU 31 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HN _ ASP 30 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 62 HN _ ARG 63 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 79 HN _ GLU 79 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HA _ GLU 16 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HN _ ALA 72 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 17 HN _ LYS 46 HN 4 0. 6.00 0.60 0.64 0.69 0.71 0.68 0.53 0.64 0.65 0.63 0.66 _ THR 17 HN _ THR 17 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 44 HN _ GLY 45 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HB2 _ SER 62 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 8 HN _ LEU 9 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HB2 _ PHE 21 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 14 HN _ THR 14 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 49 HN _ ILE 50 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 48 HN _ VAL 48 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ THR 82 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ GLY 81 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0.10 0. 0.06 0. _ ARG 63 HN _ GLU 64 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HN _ GLU 13 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 11 HN _ GLU 12 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 22 HN _ SER 74 HN 4 0. 6.00 0.08 0. 0.34 0.47 0. 0. 0.03 0.03 0. 0. _ GLU 33 HA _ GLY 81 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB2 _ GLY 81 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 HN _ VAL 61 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 80 HN _ GLY 81 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 44 HG _ GLY 45 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ PHE 54 HA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 HN _ ALA 32 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB2 _ ASN 57 HD21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB1 _ ASN 57 HD22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HA _ ILE 15 HG11 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HA _ ILE 15 HG12 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HA _ GLU 59 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QB _ PHE 54 HA 4 0. 5.00 0.17 0. 0. 0.24 0.23 0.23 0.22 0.10 0.19 0.09 _ SER 55 HA _ GLU 60 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 HA _ SER 62 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 56 HN _ GLU 60 HA 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 QB _ THR 35 HG1 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 HA _ GLU 33 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 HA _ THR 82 HN 4 0. 5.00 0.06 0.01 0. 0. 0.02 0. 0. 0.01 0.22 0.11 _ GLU 33 HA _ THR 82 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 QB _ GLU 33 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 QB _ THR 35 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0.01 0. 0. 0. _ LEU 31 HN _ LEU 31 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ LEU 31 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HB2 _ ALA 32 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HB1 _ ALA 32 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 8 QB _ LEU 9 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 8 HN _ LEU 8 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ ASP 20 HB1 2 0. 5.00 0. 0. 0.66 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ ASP 20 HB2 2 0. 5.00 0.68 0.68 0. 0.68 0.68 0.68 0.68 0.68 0.69 0.68 _ ASP 20 HB1 _ PHE 21 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HN _ ASP 20 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HN _ ASP 20 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ ILE 25 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 24 HA _ ILE 25 HB 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 83 QG _ LYS 84 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0.01 0. 0. _ THR 14 QG2 _ ILE 15 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HN _ ALA 72 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 QB _ PRO 73 HD2 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ ILE 19 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG2 _ ASP 20 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 QB _ PRO 73 HD1 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ ILE 19 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG2 _ PRO 73 HD1 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG2 _ PRO 73 HD2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG2 _ ALA 72 HA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HA _ PRO 73 HD2 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLY 45 HA2 _ THR 71 QG2 4 0. 5.00 0.19 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HB _ GLY 45 HA2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QD _ ARG 52 HD1 4 0. 5.00 0. 0. 0.26 0. 0. 0.09 0.05 0. 0. 0. _ TYR 10 QD _ ARG 52 HD2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0.24 0. 0.18 _ ALA 72 HN _ PRO 73 HD1 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HA _ PRO 73 HD1 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ PRO 29 HD1 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 27 HA _ ASN 28 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ ASP 30 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ LEU 31 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ PRO 29 HD2 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HN _ PRO 29 HD1 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 29 HD1 _ ASP 30 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 6 HD2 _ GLU 7 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HE22 _ ILE 77 QD1 4 0. 5.00 1.03 1.42 0.87 1.51 1.33 1.47 1.41 1.45 0.52 0.05 _ LYS 84 HN _ LYS 84 HA 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 83 HN _ LYS 84 HA 2 0. 5.00 0. 0.06 0. 0.49 0. 0. 0. 0. 0. 0. _ GLN 26 HN _ GLU 79 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 79 HA _ LYS 80 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HA _ GLU 79 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HA _ LYS 39 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HN _ VAL 38 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HA _ VAL 38 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 HA _ VAL 38 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 36 HA _ ARG 37 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB1 _ ASP 30 HN 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HN _ ASN 28 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB2 _ ASP 30 HN 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HB2 _ LEU 31 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 QB _ GLU 59 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 QB _ GLU 60 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HA _ SER 55 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HA _ PHE 54 QE 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HA _ PHE 54 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ PHE 54 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ TYR 10 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 63 HA _ GLU 64 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 62 HA _ ARG 63 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HA _ PHE 21 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ ASP 20 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ PHE 21 HN 3 0. 6.00 0.36 0.32 0.41 0.35 0.32 0.31 0.37 0.30 0.34 0.28 _ ILE 19 HA _ ASP 20 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 59 HN _ GLU 59 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 6 HD1 _ GLU 7 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 HB2 _ LYS 58 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0.02 0. 0. _ ILE 65 HN _ ILE 65 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 70 HA _ THR 70 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 64 HA _ ILE 65 HB 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 65 HN _ ILE 65 HG11 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 65 HN _ ILE 65 HG12 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 65 HN _ ILE 65 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 5 HN _ PRO 6 HD1 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 5 HN _ PRO 6 HD2 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HE21 _ ILE 77 QD1 4 0. 5.00 0.44 0.87 0.21 0.77 0.77 0.99 0.73 0.82 0.21 0. _ ILE 77 HA _ ILE 77 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 77 QD1 _ VAL 78 HN 2 0. 6.00 0.21 0.20 0.21 0.31 0.20 0.18 0.29 0.26 0.38 0.13 _ GLU 59 HN _ GLU 59 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 74 HN _ SER 74 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE21 _ SER 74 HB2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE21 _ SER 74 HB1 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE22 _ SER 74 HB1 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE22 _ SER 74 HB2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 17 HN _ LYS 46 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HN _ THR 71 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HN _ THR 71 HB 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 QB _ THR 35 HB 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0.18 0. _ ASN 57 HB1 _ LYS 58 HA 2 0. 5.00 1.55 1.57 1.57 1.59 1.53 0.89 0.82 0.79 0.86 0.87 _ SER 67 HN _ SER 67 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 67 HN _ SER 67 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 66 HN _ SER 67 HB1 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 66 HN _ SER 67 HB2 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HG11 _ SER 67 HB1 4 0. 6.00 0.96 0.44 0. 0.27 1.01 0.31 0.97 0.39 0.99 0.48 _ ILE 50 HG12 _ SER 67 HB1 4 0. 6.00 0.10 0. 0. 0. 0.19 0. 0.07 0. 0.09 0. _ ILE 50 HB _ SER 67 HB1 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HB _ SER 67 HB2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HG1 _ GLN 26 HE22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HG2 _ GLN 26 HE22 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HG1 _ GLN 26 HE21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HG2 _ GLN 26 HE21 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HN _ GLN 26 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HN _ GLN 26 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ GLN 26 HG2 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ GLN 26 HG1 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HA _ ARG 52 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HA _ GLU 13 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HA _ GLU 12 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 12 HA _ GLU 12 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 53 HN _ ILE 53 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB1 _ LEU 44 QD2 4 0. 6.00 0.44 0.30 0.45 0.36 0.29 0.23 0.29 0.26 1.76 0.20 _ LEU 44 HA _ LEU 44 QD2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB2 _ LEU 44 QD1 4 0. 6.00 1.74 1.55 1.94 1.57 1.55 1.47 1.54 1.53 0. 1.40 _ LEU 44 HA _ LEU 44 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HE22 _ SER 74 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 36 HA _ VAL 36 QQG 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HG12 _ LYS 46 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ ILE 15 HB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HA _ VAL 36 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HE21 _ ILE 77 QG2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HA _ ILE 25 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HA _ ILE 25 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HG12 _ SER 67 HB2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HG11 _ SER 67 HB2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HN _ ILE 50 HG11 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HG11 _ VAL 51 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HG12 _ VAL 51 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 49 HA _ SER 69 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 68 HA _ SER 69 QB 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HA _ GLU 23 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HA _ GLU 23 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 63 HA _ ARG 63 HD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 63 HA _ ARG 63 HD2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HA _ THR 71 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 71 HN _ THR 71 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HB1 _ LYS 47 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HB2 _ LYS 47 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HA _ LYS 46 HD2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 16 HA _ THR 17 HB 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HA _ LYS 46 HD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HN _ LYS 46 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HN _ LYS 46 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HG1 _ THR 71 HB 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HG2 _ THR 71 HB 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 53 HA _ ILE 53 QD1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 77 HA _ ILE 77 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HN _ ASP 30 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HD22 _ ASP 30 HB1 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HD22 _ ASP 30 HB2 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HB1 _ LEU 31 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HB2 _ LEU 31 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HD21 _ ASP 30 HB1 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HD21 _ ASP 30 HB2 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HB _ GLY 45 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HB1 _ SER 62 HN 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 QD _ SER 62 HB2 4 0. 6.00 0. 0. 0. 0.05 0.17 0.08 0.15 0.32 0. 0.14 _ PHE 54 QD _ SER 62 HB1 4 0. 6.00 0.52 0. 0.27 0.58 0.66 0.58 0.61 0.75 0.50 0.60 _ LYS 83 HN _ LYS 83 HB1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 83 HN _ LYS 83 HB2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 14 HB _ ILE 15 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HN _ THR 35 QG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 11 HN _ GLU 12 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB1 _ LEU 44 QD1 4 0. 6.00 3.18 3.02 3.32 3.00 3.02 2.96 3.01 2.98 0.67 2.88 _ LEU 31 HN _ ALA 32 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 HA _ THR 35 HN 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 66 HB _ SER 67 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HN _ GLU 23 HG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HN _ GLU 23 HG2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 23 HG2 _ GLU 24 HN 2 0. 5.00 0. 0. 0. 0.08 0. 0. 0. 0. 0. 0. _ GLU 23 HG1 _ GLU 24 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HB _ THR 82 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ THR 35 HB 3 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLY 34 HN _ THR 35 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 6 HA _ GLU 7 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 48 HA _ GLU 49 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ ARG 11 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 30 HN _ LEU 31 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 24 HA _ ILE 25 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 4 HB2 _ LYS 5 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 4 HB1 _ LYS 5 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 56 HN _ ASN 57 HB2 2 0. 6.00 0. 0. 0. 0. 0. 0.51 0.47 0.60 0.48 0.50 _ VAL 56 HN _ ASN 57 HB1 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 27 HN _ GLU 27 QG 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 27 QG _ ASN 28 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 27 QG _ THR 82 QG2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 HG1 _ SER 62 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 HG2 _ SER 62 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 52 HN _ ARG 52 HG2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 52 HN _ ARG 52 HG1 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ ARG 52 HG2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HA _ ARG 52 HG1 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ ILE 25 HG11 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ ILE 25 HG12 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 HB2 _ LEU 44 QD2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0.17 0. _ ILE 19 HN _ ILE 19 HG12 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ ILE 19 HG11 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HG11 _ ASP 20 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HG12 _ ASP 20 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HG11 _ LYS 46 HA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HB2 _ GLY 81 HA2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HB1 _ GLY 81 HA2 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QE _ PHE 54 HN 4 0. 6.00 1.68 0.36 1.01 1.69 1.76 1.85 1.85 1.07 1.71 1.04 _ TYR 10 HN _ TYR 10 QE 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QE _ PHE 54 HZ 4 0. 5.00 0.21 0.31 0.32 0.13 0.17 0.05 0.18 0.17 0.32 0.45 _ TYR 10 HA _ TYR 10 QE 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 HN _ TYR 10 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QD _ PHE 54 HN 4 0. 6.00 0.82 0. 0.44 0.85 0.90 0.95 0.95 0.55 0.85 0.54 _ PHE 21 QD _ GLY 45 HN 4 0. 6.00 0.03 0. 0.19 0. 0.03 0.10 0. 0. 0.37 0.03 _ PHE 21 QD _ LEU 44 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 HN _ PHE 54 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 54 QE _ SER 55 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0.03 0. 0. _ LEU 9 HA _ PHE 54 QD 4 0. 6.00 1.15 0.85 1.10 1.18 1.32 1.28 1.25 1.29 1.19 1.42 _ TYR 10 QD _ PHE 54 HZ 4 0. 6.00 0.96 0.87 1.08 0.94 0.96 0.84 0.96 1.04 1.07 1.27 _ LYS 5 HN _ PRO 6 QD 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 6 QD _ GLU 7 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ TYR 10 QD _ ARG 52 QD 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HN _ ILE 15 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 15 HA _ ILE 15 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HN _ LEU 44 QQD 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HA _ ASP 20 QB 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 HB _ GLY 45 QA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG2 _ PRO 73 QD 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 19 QG1 _ ASP 20 HN 2 0. 5.00 0.25 0. 0. 0.25 0.27 0.26 0.24 0. 0.29 0. _ ILE 19 QG1 _ LYS 46 HA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 HA _ LEU 44 QQD 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASP 20 QB _ LEU 44 QQD 4 0. 6.00 0.49 0.29 0. 0.31 0.31 0.29 0.39 0.31 0.19 0.32 _ PHE 21 HN _ LEU 44 QQD 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 QB _ GLN 22 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PHE 21 QB _ LEU 44 QQD 4 0. 6.00 1.04 0.87 1.15 0.90 0.87 0.80 0.86 0.84 0.29 0.75 _ PHE 21 QB _ SER 74 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 22 HN _ GLN 22 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 22 QB _ GLU 23 HA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0.48 0. _ GLU 24 QB _ ILE 25 HA 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 25 HN _ GLN 26 QG 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HN _ GLN 26 QG 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 QG 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 HA _ GLN 26 QE2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 QB _ GLN 26 QE2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 QG _ GLN 26 QE2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 26 QG _ GLU 27 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HN _ ASN 28 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HN _ PRO 29 QD 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ ASN 28 QD2 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 HA _ PRO 29 QG 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 QB _ GLY 81 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 QB _ GLY 81 QA 4 0. 5.00 0. 0. 0.04 0. 0. 0. 0. 0. 0. 0. _ ASN 28 QD2 _ ASP 30 QB 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 28 QD2 _ LEU 31 QQD 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 29 QB _ ASP 30 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 29 QB _ GLY 81 QA 4 0. 6.00 1.19 1.44 1.76 1.48 1.33 1.59 1.78 1.20 1.26 1.30 _ PRO 29 QD _ ASP 30 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ PRO 29 QD _ ASP 30 QB 2 0. 6.00 0. 0. 0.04 0.08 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ LEU 31 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 HN _ GLY 81 QA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 QB _ ALA 32 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 QB _ GLY 81 QA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 31 QQD _ ALA 32 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 32 HA _ GLY 81 QA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 HA _ GLY 81 QA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 QB _ GLY 34 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 QG _ GLY 34 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 33 QG _ GLY 34 QA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HN _ GLY 81 QA 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ THR 35 HB _ GLY 81 QA 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 38 QQG _ GLN 40 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 39 HN _ LYS 39 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 HA _ GLN 40 QE2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 QE2 _ SER 74 HN 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 QE2 _ SER 74 QB 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLN 40 QE2 _ ILE 77 QG1 4 0. 6.00 0.01 0. 0. 0.02 0. 0. 0.02 0. 0. 0.06 _ LEU 44 HN _ LEU 44 QQD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 44 HA _ LEU 44 QQD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 44 QB _ GLY 45 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LEU 44 QQD _ GLY 45 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0.12 0. _ GLY 45 QA _ THR 71 QG2 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 HA _ LYS 46 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 QB _ LYS 46 QE 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 46 QB _ LYS 47 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HN _ ILE 50 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 HA _ ILE 50 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 QG1 _ VAL 51 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 50 QG1 _ SER 67 QB 4 0. 5.00 0.63 0.11 0. 0. 0.70 0. 0.63 0.12 0.65 0.21 _ ARG 52 HN _ ARG 52 QB 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 52 QD _ VAL 66 QQG 4 0. 6.00 0.19 0. 0.26 0.10 0.24 0.28 0.21 0. 0.21 0. _ SER 55 HA _ GLU 60 QG 4 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 HA _ VAL 61 QQG 4 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ SER 55 QB _ GLU 60 QG 4 0. 6.00 0. 0.26 0. 0. 0. 0. 0.03 0. 0.11 0.13 _ ASN 57 QB _ ASN 57 QD2 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 QB _ LYS 58 HN 2 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ASN 57 QB _ LYS 58 HA 2 0. 6.00 0.10 0.11 0.11 0.15 0.07 0. 0. 0. 0. 0. _ GLU 59 HN _ GLU 59 QG 1 0. 6.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 HN _ GLU 60 QG 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 QG _ VAL 61 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 60 QG _ SER 62 HN 3 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 61 HN _ VAL 61 QQG 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ VAL 61 QQG _ SER 62 HN 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ARG 63 QB _ ARG 63 QD 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 65 HA _ ILE 65 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HN _ PRO 73 QD 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 HA _ PRO 73 QD 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ALA 72 QB _ PRO 73 QD 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 77 HN _ ILE 77 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ ILE 77 QG2 _ ILE 77 QG1 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ GLU 79 HA _ LYS 80 QB 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 80 HA _ LYS 80 QG 1 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. _ LYS 80 HA _ GLY 81 QA 2 0. 5.00 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_OVERALL $ TABLE #RECORDS 1 #ITEMS 19 Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr Overall 366 3.32 216.48 0.59 0.63 0.05 0.24 0 0. 0. 0. 0. 0. 0. 169 3.32 184.64 4720 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_STRUCTURE $ TABLE #RECORDS 10 #ITEMS 19 Structure NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr Str_01 39 3.18 23.25 0.60 0.64 0.05 0.25 0 0. 0. 0. 0. 0. 0. 19 3.18 20.38 472 Str_02 31 3.02 18.33 0.59 0.64 0.04 0.22 0 0. 0. 0. 0. 0. 0. 14 3.02 15.45 472 Str_03 32 3.32 20.35 0.64 0.72 0.04 0.25 0 0. 0. 0. 0. 0. 0. 15 3.32 17.68 472 Str_04 37 3.00 23.83 0.64 0.64 0.05 0.25 0 0. 0. 0. 0. 0. 0. 18 3.00 20.25 472 Str_05 38 3.02 24.28 0.64 0.64 0.05 0.25 0 0. 0. 0. 0. 0. 0. 18 3.02 20.96 472 Str_06 37 2.96 22.41 0.61 0.64 0.05 0.24 0 0. 0. 0. 0. 0. 0. 17 2.96 19.28 472 Str_07 41 3.01 24.20 0.59 0.63 0.05 0.25 0 0. 0. 0. 0. 0. 0. 18 3.01 20.44 472 Str_08 38 2.98 21.02 0.55 0.61 0.04 0.23 0 0. 0. 0. 0. 0. 0. 17 2.98 18.18 472 Str_09 39 1.76 20.16 0.52 0.45 0.04 0.19 0 0. 0. 0. 0. 0. 0. 17 1.76 15.64 472 Str_10 34 2.88 18.64 0.55 0.61 0.04 0.22 0 0. 0. 0. 0. 0. 0. 16 2.88 16.39 472 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESTRAINT $ TABLE #RECORDS 472 #ITEMS 18 Chn Resnm Res Atom Chn Resnm Res Atom NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLU 59 HN _ GLU 60 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 82 HN _ LYS 83 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ GLU 16 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HN _ LYS 58 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 39 HN _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 78 HN _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 37 HN _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HN _ GLU 27 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 17 HN _ LYS 18 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ GLU 49 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 24 HN _ VAL 78 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HN _ THR 71 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLY 45 HN _ LYS 46 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 74 HN _ SER 74 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 HA _ GLY 34 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 9 HA _ TYR 10 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 61 HN _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ VAL 61 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 56 HN _ VAL 61 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ VAL 56 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB1 _ ASN 57 HD21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB2 _ ASN 57 HD22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB1 _ LYS 58 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB2 _ LYS 58 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ SER 55 HN 8 0.13 0.53 0 0. 0. 0 0. 0. 10 _ VAL 56 HN _ GLU 59 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HN _ SER 55 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 11 HN _ SER 55 HN 3 0.08 0.19 0 0. 0. 0 0. 0. 10 _ ALA 32 HA _ GLU 33 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HA _ GLN 40 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLY 81 HN _ THR 82 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HN _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 80 HA _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HB _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB1 _ GLY 81 HN 4 0.21 0.50 0 0. 0. 0 0. 0. 10 _ LYS 46 HN _ THR 71 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ GLY 45 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ ASN 28 HD21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ ASN 28 HD22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HB _ ALA 72 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HN _ PRO 73 HD2 9 0.04 0.24 0 0. 0. 0 0. 0. 10 _ LYS 83 HN _ LYS 84 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 9 QB _ TYR 10 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ PHE 54 QD 10 1.54 12.70 0 0. 0. 10 1.54 12.70 10 _ LEU 9 HN _ TYR 10 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ ARG 11 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 39 HN _ GLN 40 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 14 HN _ ILE 15 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HN _ GLU 24 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HA _ GLU 24 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 78 HN _ GLU 79 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 78 HN _ VAL 78 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ GLN 26 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 79 HN _ LYS 80 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HN _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 78 HA _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HN _ ALA 72 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HN _ THR 35 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 HA _ THR 35 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB1 _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HN _ ASN 28 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ VAL 61 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB1 _ GLN 22 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ LYS 58 HN 6 0.34 1.26 0 0. 0. 0 0. 0. 10 _ ASN 57 HA _ GLU 59 HN 1 0.03 0.03 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ GLU 60 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 65 HN _ ILE 65 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 43 HN _ SER 74 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 43 HN _ SER 74 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ LYS 46 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ ASP 20 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 18 HN _ ILE 19 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 66 HN _ SER 67 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ LYS 46 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE21 _ SER 74 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE21 _ ILE 77 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE22 _ ILE 77 QD1 6 0.09 0.24 0 0. 0. 0 0. 0. 10 _ LYS 43 HN _ SER 74 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 HE22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 HE21 2 0.01 0.01 0 0. 0. 0 0. 0. 10 _ PHE 54 QD _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HN _ PHE 21 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HA _ ASN 57 HD22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HA _ ASN 57 HD21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HA _ THR 14 HN 7 0.30 1.37 0 0. 0. 0 0. 0. 10 _ ILE 65 HA _ SER 67 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 68 HA _ SER 69 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ LEU 44 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ ARG 11 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HB _ VAL 36 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 QD _ LEU 44 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 QE _ LEU 44 HN 1 0.33 0.33 0 0. 0. 0 0. 0. 10 _ ILE 50 HN _ SER 67 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 49 HA _ ILE 50 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 48 HN _ SER 69 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 58 HN _ GLU 59 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 9 HN _ SER 55 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 13 HN _ THR 14 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ SER 55 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HB1 _ SER 55 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HB2 _ SER 55 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QB _ SER 55 HN 8 0.27 1.39 0 0. 0. 0 0. 0. 10 _ LEU 9 HN _ PHE 54 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HE22 _ ILE 77 QG2 8 0.67 3.32 0 0. 0. 5 0.67 2.73 10 _ ILE 50 HN _ ILE 50 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 QD _ GLN 22 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB2 _ GLN 22 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLY 34 HN _ THR 35 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HA _ GLN 22 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 16 HA _ THR 17 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ ILE 15 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ ILE 15 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ ILE 15 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 73 HA _ SER 74 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 48 HN _ GLU 49 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 49 HA _ SER 67 HN 2 0.10 0.15 0 0. 0. 0 0. 0. 10 _ GLU 33 HN _ GLY 34 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HN _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HN _ ASP 30 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 62 HN _ ARG 63 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 79 HN _ GLU 79 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HA _ GLU 16 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HN _ ALA 72 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 17 HN _ LYS 46 HN 10 0.71 6.43 0 0. 0. 10 0.71 6.43 10 _ THR 17 HN _ THR 17 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 44 HN _ GLY 45 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HB2 _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 8 HN _ LEU 9 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HB2 _ PHE 21 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 14 HN _ THR 14 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 49 HN _ ILE 50 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 48 HN _ VAL 48 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ THR 82 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ GLY 81 HN 2 0.10 0.16 0 0. 0. 0 0. 0. 10 _ ARG 63 HN _ GLU 64 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HN _ GLU 13 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 11 HN _ GLU 12 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 22 HN _ SER 74 HN 5 0.47 0.95 0 0. 0. 1 0.47 0.47 10 _ GLU 33 HA _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB2 _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 HN _ VAL 61 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 80 HN _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 44 HG _ GLY 45 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ PHE 54 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 HN _ ALA 32 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB2 _ ASN 57 HD21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB1 _ ASN 57 HD22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HA _ ILE 15 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HA _ ILE 15 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ GLU 59 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QB _ PHE 54 HA 8 0.24 1.46 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ GLU 60 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 HA _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 56 HN _ GLU 60 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 QB _ THR 35 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 HA _ GLU 33 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 HA _ THR 82 HN 6 0.22 0.43 0 0. 0. 0 0. 0. 10 _ GLU 33 HA _ THR 82 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 QB _ GLU 33 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 QB _ THR 35 HN 1 0.01 0.01 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ LEU 31 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ LEU 31 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HB2 _ ALA 32 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HB1 _ ALA 32 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 8 QB _ LEU 9 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 8 HN _ LEU 8 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HA _ ASP 20 HB1 1 0.66 0.66 0 0. 0. 1 0.66 0.66 10 _ ILE 19 HA _ ASP 20 HB2 9 0.69 6.15 0 0. 0. 9 0.69 6.15 10 _ ASP 20 HB1 _ PHE 21 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HN _ ASP 20 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HN _ ASP 20 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ ILE 25 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 24 HA _ ILE 25 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 83 QG _ LYS 84 HN 1 0.01 0.01 0 0. 0. 0 0. 0. 10 _ THR 14 QG2 _ ILE 15 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HN _ ALA 72 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 QB _ PRO 73 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ ILE 19 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG2 _ ASP 20 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 QB _ PRO 73 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HA _ ILE 19 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG2 _ PRO 73 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG2 _ PRO 73 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG2 _ ALA 72 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HA _ PRO 73 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLY 45 HA2 _ THR 71 QG2 1 0.19 0.19 0 0. 0. 0 0. 0. 10 _ ILE 19 HB _ GLY 45 HA2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QD _ ARG 52 HD1 4 0.26 0.40 0 0. 0. 0 0. 0. 10 _ TYR 10 QD _ ARG 52 HD2 2 0.24 0.43 0 0. 0. 0 0. 0. 10 _ ALA 72 HN _ PRO 73 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HA _ PRO 73 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ PRO 29 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 27 HA _ ASN 28 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ PRO 29 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HN _ PRO 29 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 29 HD1 _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 6 HD2 _ GLU 7 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HE22 _ ILE 77 QD1 10 1.51 11.05 0 0. 0. 9 1.51 11.01 10 _ LYS 84 HN _ LYS 84 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 83 HN _ LYS 84 HA 2 0.49 0.55 0 0. 0. 1 0.49 0.49 10 _ GLN 26 HN _ GLU 79 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 79 HA _ LYS 80 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HA _ GLU 79 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HA _ LYS 39 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HN _ VAL 38 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HA _ VAL 38 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 HA _ VAL 38 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 36 HA _ ARG 37 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB1 _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HN _ ASN 28 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB2 _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HB2 _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ GLU 59 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ GLU 60 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HA _ SER 55 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HA _ PHE 54 QE 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HA _ PHE 54 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ PHE 54 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ TYR 10 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 63 HA _ GLU 64 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 62 HA _ ARG 63 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HA _ PHE 21 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HA _ ASP 20 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HA _ PHE 21 HN 10 0.41 3.35 0 0. 0. 1 0.41 0.41 10 _ ILE 19 HA _ ASP 20 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 59 HN _ GLU 59 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 6 HD1 _ GLU 7 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 HB2 _ LYS 58 HA 1 0.02 0.02 0 0. 0. 0 0. 0. 10 _ ILE 65 HN _ ILE 65 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 70 HA _ THR 70 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 64 HA _ ILE 65 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 65 HN _ ILE 65 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 65 HN _ ILE 65 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 65 HN _ ILE 65 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 5 HN _ PRO 6 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 5 HN _ PRO 6 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HE21 _ ILE 77 QD1 9 0.99 5.80 0 0. 0. 7 0.99 5.38 10 _ ILE 77 HA _ ILE 77 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 77 QD1 _ VAL 78 HN 10 0.38 2.37 0 0. 0. 0 0. 0. 10 _ GLU 59 HN _ GLU 59 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 74 HN _ SER 74 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE21 _ SER 74 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE21 _ SER 74 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE22 _ SER 74 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE22 _ SER 74 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 17 HN _ LYS 46 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HN _ THR 71 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HN _ THR 71 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 QB _ THR 35 HB 1 0.18 0.18 0 0. 0. 0 0. 0. 10 _ ASN 57 HB1 _ LYS 58 HA 10 1.59 12.03 0 0. 0. 10 1.59 12.03 10 _ SER 67 HN _ SER 67 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 67 HN _ SER 67 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 66 HN _ SER 67 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 66 HN _ SER 67 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HG11 _ SER 67 HB1 9 1.01 5.84 0 0. 0. 6 1.01 4.86 10 _ ILE 50 HG12 _ SER 67 HB1 4 0.19 0.45 0 0. 0. 0 0. 0. 10 _ ILE 50 HB _ SER 67 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HB _ SER 67 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HG1 _ GLN 26 HE22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HG2 _ GLN 26 HE22 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HG1 _ GLN 26 HE21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HG2 _ GLN 26 HE21 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HN _ GLN 26 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HN _ GLN 26 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ GLN 26 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ GLN 26 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HA _ ARG 52 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HA _ GLU 13 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HA _ GLU 12 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 12 HA _ GLU 12 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 53 HN _ ILE 53 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB1 _ LEU 44 QD2 10 1.76 4.58 0 0. 0. 3 1.76 2.65 10 _ LEU 44 HA _ LEU 44 QD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB2 _ LEU 44 QD1 9 1.94 14.29 0 0. 0. 9 1.94 14.29 10 _ LEU 44 HA _ LEU 44 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HE22 _ SER 74 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 36 HA _ VAL 36 QQG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HG12 _ LYS 46 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ ILE 15 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HA _ VAL 36 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HE21 _ ILE 77 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HA _ ILE 25 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HA _ ILE 25 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HG12 _ SER 67 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HG11 _ SER 67 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HN _ ILE 50 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HG11 _ VAL 51 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HG12 _ VAL 51 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 49 HA _ SER 69 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 68 HA _ SER 69 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HA _ GLU 23 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HA _ GLU 23 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 63 HA _ ARG 63 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 63 HA _ ARG 63 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HA _ THR 71 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 HN _ THR 71 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HB1 _ LYS 47 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HB2 _ LYS 47 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HA _ LYS 46 HD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 16 HA _ THR 17 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HA _ LYS 46 HD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HN _ LYS 46 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HN _ LYS 46 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HG1 _ THR 71 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HG2 _ THR 71 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 53 HA _ ILE 53 QD1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 77 HA _ ILE 77 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HN _ ASP 30 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HD22 _ ASP 30 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HD22 _ ASP 30 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HB1 _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HB2 _ LEU 31 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HD21 _ ASP 30 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HD21 _ ASP 30 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HB _ GLY 45 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HB1 _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 QD _ SER 62 HB2 6 0.32 0.89 0 0. 0. 0 0. 0. 10 _ PHE 54 QD _ SER 62 HB1 9 0.75 5.08 0 0. 0. 8 0.75 4.81 10 _ LYS 83 HN _ LYS 83 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 83 HN _ LYS 83 HB2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 14 HB _ ILE 15 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HN _ THR 35 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 11 HN _ GLU 12 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB1 _ LEU 44 QD1 10 3.32 28.03 0 0. 0. 10 3.32 28.03 10 _ LEU 31 HN _ ALA 32 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 HA _ THR 35 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 66 HB _ SER 67 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HN _ GLU 23 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HN _ GLU 23 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 23 HG2 _ GLU 24 HN 1 0.08 0.08 0 0. 0. 0 0. 0. 10 _ GLU 23 HG1 _ GLU 24 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HB _ THR 82 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ THR 35 HB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLY 34 HN _ THR 35 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 6 HA _ GLU 7 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 48 HA _ GLU 49 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ ARG 11 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 30 HN _ LEU 31 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 24 HA _ ILE 25 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 4 HB2 _ LYS 5 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 4 HB1 _ LYS 5 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 56 HN _ ASN 57 HB2 5 0.60 2.55 0 0. 0. 5 0.60 2.55 10 _ VAL 56 HN _ ASN 57 HB1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 27 HN _ GLU 27 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 27 QG _ ASN 28 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 27 QG _ THR 82 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 HG1 _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 HG2 _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 52 HN _ ARG 52 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 52 HN _ ARG 52 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ ARG 52 HG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HA _ ARG 52 HG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ ILE 25 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ ILE 25 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 HB2 _ LEU 44 QD2 1 0.17 0.17 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ ILE 19 HG12 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ ILE 19 HG11 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HG11 _ ASP 20 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HG12 _ ASP 20 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HG11 _ LYS 46 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HB2 _ GLY 81 HA2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HB1 _ GLY 81 HA2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QE _ PHE 54 HN 10 1.85 14.03 0 0. 0. 9 1.85 13.67 10 _ TYR 10 HN _ TYR 10 QE 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QE _ PHE 54 HZ 10 0.45 2.32 0 0. 0. 1 0.45 0.45 10 _ TYR 10 HA _ TYR 10 QE 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 HN _ TYR 10 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QD _ PHE 54 HN 9 0.95 6.85 0 0. 0. 9 0.95 6.85 10 _ PHE 21 QD _ GLY 45 HN 6 0.37 0.75 0 0. 0. 0 0. 0. 10 _ PHE 21 QD _ LEU 44 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 HN _ PHE 54 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 54 QE _ SER 55 HN 1 0.03 0.03 0 0. 0. 0 0. 0. 10 _ LEU 9 HA _ PHE 54 QD 10 1.42 12.03 0 0. 0. 10 1.42 12.03 10 _ TYR 10 QD _ PHE 54 HZ 10 1.27 10.00 0 0. 0. 10 1.27 10.00 10 _ LYS 5 HN _ PRO 6 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 6 QD _ GLU 7 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ TYR 10 QD _ ARG 52 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HN _ ILE 15 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 15 HA _ ILE 15 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HN _ LEU 44 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HA _ ASP 20 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 HB _ GLY 45 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG2 _ PRO 73 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 19 QG1 _ ASP 20 HN 6 0.29 1.55 0 0. 0. 0 0. 0. 10 _ ILE 19 QG1 _ LYS 46 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 HA _ LEU 44 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASP 20 QB _ LEU 44 QQD 9 0.49 2.91 0 0. 0. 1 0.49 0.49 10 _ PHE 21 HN _ LEU 44 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 QB _ GLN 22 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PHE 21 QB _ LEU 44 QQD 10 1.15 8.36 0 0. 0. 9 1.15 8.07 10 _ PHE 21 QB _ SER 74 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 22 HN _ GLN 22 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 22 QB _ GLU 23 HA 1 0.48 0.48 0 0. 0. 1 0.48 0.48 10 _ GLU 24 QB _ ILE 25 HA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 25 HN _ GLN 26 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HN _ GLN 26 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 HA _ GLN 26 QE2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 QB _ GLN 26 QE2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 QG _ GLN 26 QE2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 26 QG _ GLU 27 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HN _ ASN 28 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HN _ PRO 29 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ ASN 28 QD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 HA _ PRO 29 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 QB _ GLY 81 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 QB _ GLY 81 QA 1 0.04 0.04 0 0. 0. 0 0. 0. 10 _ ASN 28 QD2 _ ASP 30 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 28 QD2 _ LEU 31 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 29 QB _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 29 QB _ GLY 81 QA 10 1.78 14.33 0 0. 0. 10 1.78 14.33 10 _ PRO 29 QD _ ASP 30 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ PRO 29 QD _ ASP 30 QB 3 0.08 0.12 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ LEU 31 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 HN _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 QB _ ALA 32 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 QB _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 31 QQD _ ALA 32 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 32 HA _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 HA _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 QB _ GLY 34 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 QG _ GLY 34 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 33 QG _ GLY 34 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HN _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 35 HB _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 38 QQG _ GLN 40 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 39 HN _ LYS 39 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 HA _ GLN 40 QE2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 QE2 _ SER 74 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 QE2 _ SER 74 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLN 40 QE2 _ ILE 77 QG1 4 0.06 0.10 0 0. 0. 0 0. 0. 10 _ LEU 44 HN _ LEU 44 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 44 HA _ LEU 44 QQD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 44 QB _ GLY 45 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LEU 44 QQD _ GLY 45 HN 1 0.12 0.12 0 0. 0. 0 0. 0. 10 _ GLY 45 QA _ THR 71 QG2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 HA _ LYS 46 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 QB _ LYS 46 QE 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 46 QB _ LYS 47 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HN _ ILE 50 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 HA _ ILE 50 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 QG1 _ VAL 51 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 50 QG1 _ SER 67 QB 7 0.70 3.04 0 0. 0. 4 0.70 2.60 10 _ ARG 52 HN _ ARG 52 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 52 QD _ VAL 66 QQG 7 0.28 1.49 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ GLU 60 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 HA _ VAL 61 QQG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ SER 55 QB _ GLU 60 QG 4 0.26 0.53 0 0. 0. 0 0. 0. 10 _ ASN 57 QB _ ASN 57 QD2 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 QB _ LYS 58 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ASN 57 QB _ LYS 58 HA 5 0.15 0.54 0 0. 0. 0 0. 0. 10 _ GLU 59 HN _ GLU 59 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 HN _ GLU 60 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 QG _ VAL 61 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 60 QG _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 61 HN _ VAL 61 QQG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ VAL 61 QQG _ SER 62 HN 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ARG 63 QB _ ARG 63 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 65 HA _ ILE 65 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HN _ PRO 73 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 HA _ PRO 73 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ALA 72 QB _ PRO 73 QD 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 77 HN _ ILE 77 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 77 QG2 _ ILE 77 QG1 0 0. 0. 0 0. 0. 0 0. 0. 10 _ GLU 79 HA _ LYS 80 QB 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 80 HA _ LYS 80 QG 0 0. 0. 0 0. 0. 0 0. 0. 10 _ LYS 80 HA _ GLY 81 QA 0 0. 0. 0 0. 0. 0 0. 0. 10 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_ALL_STRUCTURES $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 20 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 50 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 70 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 40 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 30 _ LEU 9 10 1.42 12.03 0 0. 0. 10 1.42 12.03 80 _ TYR 10 79 1.85 50.12 0 0. 0. 39 1.85 43.68 260 _ ARG 11 3 0.08 0.19 0 0. 0. 0 0. 0. 60 _ GLU 12 7 0.30 1.37 0 0. 0. 0 0. 0. 80 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 30 _ THR 14 7 0.30 1.37 0 0. 0. 0 0. 0. 60 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 140 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 40 _ THR 17 10 0.71 6.43 0 0. 0. 10 0.71 6.43 60 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 20 _ ILE 19 26 0.69 11.72 0 0. 0. 11 0.69 7.23 310 _ ASP 20 25 0.69 11.28 0 0. 0. 11 0.69 7.30 180 _ PHE 21 57 3.32 59.86 0 0. 0. 32 3.32 53.46 210 _ GLN 22 6 0.48 1.43 0 0. 0. 2 0.48 0.95 80 _ GLU 23 2 0.48 0.56 0 0. 0. 1 0.48 0.48 90 _ GLU 24 1 0.08 0.08 0 0. 0. 0 0. 0. 80 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 120 _ GLN 26 29 1.51 20.18 0 0. 0. 21 1.51 19.12 260 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 60 _ ASN 28 5 0.21 0.54 0 0. 0. 0 0. 0. 290 _ PRO 29 13 1.78 14.45 0 0. 0. 10 1.78 14.33 100 _ ASP 30 3 0.08 0.12 0 0. 0. 0 0. 0. 180 _ LEU 31 2 0.10 0.16 0 0. 0. 0 0. 0. 230 _ ALA 32 8 0.22 0.63 0 0. 0. 0 0. 0. 150 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 120 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 70 _ THR 35 2 0.18 0.19 0 0. 0. 0 0. 0. 170 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 40 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 20 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 70 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 40 _ GLN 40 10 0.09 0.34 0 0. 0. 0 0. 0. 160 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 30 _ LEU 44 51 3.32 58.80 0 0. 0. 32 3.32 53.53 210 _ GLY 45 8 0.37 1.06 0 0. 0. 0 0. 0. 120 _ LYS 46 10 0.71 6.43 0 0. 0. 10 0.71 6.43 220 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 30 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 40 _ GLU 49 2 0.10 0.15 0 0. 0. 0 0. 0. 70 _ ILE 50 20 1.01 9.33 0 0. 0. 10 1.01 7.46 170 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 30 _ ARG 52 13 0.28 2.31 0 0. 0. 0 0. 0. 100 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 20 _ PHE 54 83 1.85 65.40 0 0. 0. 57 1.85 60.52 220 _ SER 55 30 0.34 3.93 0 0. 0. 0 0. 0. 230 _ VAL 56 5 0.60 2.55 0 0. 0. 5 0.60 2.55 60 _ ASN 57 22 1.59 15.17 0 0. 0. 15 1.59 14.58 170 _ LYS 58 22 1.59 13.86 0 0. 0. 10 1.59 12.03 90 _ GLU 59 1 0.03 0.03 0 0. 0. 0 0. 0. 90 _ GLU 60 4 0.26 0.53 0 0. 0. 0 0. 0. 140 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 90 _ SER 62 15 0.75 5.97 0 0. 0. 8 0.75 4.81 140 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 70 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 30 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 80 _ VAL 66 7 0.28 1.49 0 0. 0. 0 0. 0. 50 _ SER 67 22 1.01 9.48 0 0. 0. 10 1.01 7.46 160 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 20 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 40 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 10 _ THR 71 1 0.19 0.19 0 0. 0. 0 0. 0. 130 _ ALA 72 9 0.04 0.24 0 0. 0. 0 0. 0. 140 _ PRO 73 9 0.04 0.24 0 0. 0. 0 0. 0. 130 _ SER 74 5 0.47 0.95 0 0. 0. 1 0.47 0.47 160 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 47 1.51 22.88 0 0. 0. 21 1.51 19.12 120 _ VAL 78 10 0.38 2.37 0 0. 0. 0 0. 0. 60 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 120 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 70 _ GLY 81 17 1.78 15.03 0 0. 0. 10 1.78 14.33 210 _ THR 82 6 0.22 0.43 0 0. 0. 0 0. 0. 70 _ LYS 83 3 0.49 0.55 0 0. 0. 1 0.49 0.49 60 _ LYS 84 3 0.49 0.55 0 0. 0. 1 0.49 0.49 40 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_01 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.15 1.15 0 0. 0. 1 1.15 1.15 8 _ TYR 10 8 1.68 5.40 0 0. 0. 4 1.68 4.74 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.20 0.20 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.20 0.20 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.60 0.60 0 0. 0. 1 0.60 0.60 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.68 1.28 0 0. 0. 1 0.68 0.68 31 _ ASP 20 3 0.68 1.42 0 0. 0. 2 0.68 1.17 18 _ PHE 21 6 3.18 6.78 0 0. 0. 4 3.18 6.39 21 _ GLN 22 1 0.08 0.08 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.03 1.66 0 0. 0. 2 1.03 1.47 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.19 1.19 0 0. 0. 1 1.19 1.19 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.06 0.06 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 2 0.04 0.05 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 3.18 6.88 0 0. 0. 5 3.18 6.88 21 _ GLY 45 2 0.19 0.22 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.60 0.60 0 0. 0. 1 0.60 0.60 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 3 0.96 1.69 0 0. 0. 2 0.96 1.59 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 1 0.19 0.19 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 8 1.68 6.79 0 0. 0. 6 1.68 6.41 22 _ SER 55 3 0.21 0.48 0 0. 0. 0 0. 0. 23 _ VAL 56 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 57 2 1.55 1.64 0 0. 0. 1 1.55 1.55 17 _ LYS 58 3 1.55 1.84 0 0. 0. 1 1.55 1.55 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 1 0.52 0.52 0 0. 0. 1 0.52 0.52 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.19 0.19 0 0. 0. 0 0. 0. 5 _ SER 67 3 0.96 1.69 0 0. 0. 2 0.96 1.59 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 1 0.19 0.19 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.04 0.04 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.04 0.04 0 0. 0. 0 0. 0. 13 _ SER 74 1 0.08 0.08 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 6 1.03 1.91 0 0. 0. 2 1.03 1.47 12 _ VAL 78 1 0.21 0.21 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 1 1.19 1.19 0 0. 0. 1 1.19 1.19 21 _ THR 82 1 0.06 0.06 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_02 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 0.85 0.85 0 0. 0. 1 0.85 0.85 8 _ TYR 10 6 0.87 2.45 0 0. 0. 2 0.87 1.58 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.22 0.22 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.22 0.22 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.64 0.64 0 0. 0. 1 0.64 0.64 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 2 0.68 1.00 0 0. 0. 1 0.68 0.68 31 _ ASP 20 2 0.68 0.97 0 0. 0. 1 0.68 0.68 18 _ PHE 21 5 3.02 6.04 0 0. 0. 3 3.02 5.43 21 _ GLN 22 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.42 2.81 0 0. 0. 3 1.42 2.81 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.44 1.44 0 0. 0. 1 1.44 1.44 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.01 0.01 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 1 0.01 0.01 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 3.02 6.01 0 0. 0. 3 3.02 5.43 21 _ GLY 45 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.64 0.64 0 0. 0. 1 0.64 0.64 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 2 0.44 0.55 0 0. 0. 1 0.44 0.44 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 0 0. 0. 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 5 0.87 3.11 0 0. 0. 3 0.87 2.43 22 _ SER 55 4 0.26 0.58 0 0. 0. 0 0. 0. 23 _ VAL 56 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 57 2 1.57 1.68 0 0. 0. 1 1.57 1.57 17 _ LYS 58 3 1.57 1.81 0 0. 0. 1 1.57 1.57 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 1 0.26 0.26 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 0 0. 0. 0 0. 0. 0 0. 0. 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 0 0. 0. 0 0. 0. 0 0. 0. 5 _ SER 67 2 0.44 0.55 0 0. 0. 1 0.44 0.44 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.02 0.02 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.02 0.02 0 0. 0. 0 0. 0. 13 _ SER 74 0 0. 0. 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 5 1.42 3.02 0 0. 0. 3 1.42 2.81 12 _ VAL 78 1 0.20 0.20 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 1 1.44 1.44 0 0. 0. 1 1.44 1.44 21 _ THR 82 1 0.01 0.01 0 0. 0. 0 0. 0. 7 _ LYS 83 1 0.06 0.06 0 0. 0. 0 0. 0. 6 _ LYS 84 1 0.06 0.06 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_03 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.10 1.10 0 0. 0. 1 1.10 1.10 8 _ TYR 10 8 1.23 4.45 0 0. 0. 4 1.23 3.76 26 _ ARG 11 1 0.06 0.06 0 0. 0. 0 0. 0. 6 _ GLU 12 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.69 0.69 0 0. 0. 1 0.69 0.69 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 2 0.66 1.08 0 0. 0. 2 0.66 1.08 31 _ ASP 20 1 0.66 0.66 0 0. 0. 1 0.66 0.66 18 _ PHE 21 6 3.32 7.47 0 0. 0. 5 3.32 7.28 21 _ GLN 22 1 0.34 0.34 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 0.87 1.10 0 0. 0. 1 0.87 0.87 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 2 0.21 0.25 0 0. 0. 0 0. 0. 29 _ PRO 29 2 1.76 1.79 0 0. 0. 1 1.76 1.76 10 _ ASP 30 1 0.04 0.04 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 0 0. 0. 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 0 0. 0. 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 4 3.32 6.86 0 0. 0. 4 3.32 6.86 21 _ GLY 45 1 0.19 0.19 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.69 0.69 0 0. 0. 1 0.69 0.69 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 2 0.26 0.51 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 7 1.23 5.44 0 0. 0. 5 1.23 4.86 22 _ SER 55 3 0.10 0.17 0 0. 0. 0 0. 0. 23 _ VAL 56 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 57 2 1.57 1.68 0 0. 0. 1 1.57 1.57 17 _ LYS 58 2 1.57 1.68 0 0. 0. 1 1.57 1.57 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 1 0.27 0.27 0 0. 0. 0 0. 0. 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.26 0.26 0 0. 0. 0 0. 0. 5 _ SER 67 0 0. 0. 0 0. 0. 0 0. 0. 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.03 0.03 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.03 0.03 0 0. 0. 0 0. 0. 13 _ SER 74 1 0.34 0.34 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 4 0.87 1.31 0 0. 0. 1 0.87 0.87 12 _ VAL 78 1 0.21 0.21 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 3 1.76 2.01 0 0. 0. 1 1.76 1.76 21 _ THR 82 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_04 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.18 1.18 0 0. 0. 1 1.18 1.18 8 _ TYR 10 8 1.69 5.45 0 0. 0. 4 1.69 4.76 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.13 0.13 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.13 0.13 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.71 0.71 0 0. 0. 1 0.71 0.71 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.68 1.28 0 0. 0. 1 0.68 0.68 31 _ ASP 20 3 0.68 1.24 0 0. 0. 1 0.68 0.68 18 _ PHE 21 5 3.00 6.18 0 0. 0. 3 3.00 5.47 21 _ GLN 22 1 0.47 0.47 0 0. 0. 1 0.47 0.47 8 _ GLU 23 1 0.08 0.08 0 0. 0. 0 0. 0. 9 _ GLU 24 1 0.08 0.08 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.51 2.84 0 0. 0. 3 1.51 2.84 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 2 1.48 1.56 0 0. 0. 1 1.48 1.48 10 _ ASP 30 1 0.08 0.08 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 0 0. 0. 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 2 0.09 0.10 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 3.00 6.14 0 0. 0. 3 3.00 5.47 21 _ GLY 45 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.71 0.71 0 0. 0. 1 0.71 0.71 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 1 0.27 0.27 0 0. 0. 0 0. 0. 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 1 0.10 0.10 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 9 1.69 6.93 0 0. 0. 6 1.69 6.52 22 _ SER 55 3 0.34 0.67 0 0. 0. 0 0. 0. 23 _ VAL 56 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 57 2 1.59 1.74 0 0. 0. 1 1.59 1.59 17 _ LYS 58 3 1.59 2.08 0 0. 0. 1 1.59 1.59 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.58 0.63 0 0. 0. 1 0.58 0.58 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.10 0.10 0 0. 0. 0 0. 0. 5 _ SER 67 1 0.27 0.27 0 0. 0. 0 0. 0. 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 0 0. 0. 0 0. 0. 0 0. 0. 14 _ PRO 73 0 0. 0. 0 0. 0. 0 0. 0. 13 _ SER 74 1 0.47 0.47 0 0. 0. 1 0.47 0.47 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 6 1.51 3.25 0 0. 0. 3 1.51 2.84 12 _ VAL 78 1 0.31 0.31 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 1 1.48 1.48 0 0. 0. 1 1.48 1.48 21 _ THR 82 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 83 1 0.49 0.49 0 0. 0. 1 0.49 0.49 6 _ LYS 84 1 0.49 0.49 0 0. 0. 1 0.49 0.49 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_05 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.32 1.32 0 0. 0. 1 1.32 1.32 8 _ TYR 10 9 1.76 5.63 0 0. 0. 4 1.76 5.04 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.30 0.30 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.30 0.30 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.68 0.68 0 0. 0. 1 0.68 0.68 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.68 1.28 0 0. 0. 1 0.68 0.68 31 _ ASP 20 3 0.68 1.27 0 0. 0. 1 0.68 0.68 18 _ PHE 21 6 3.02 6.09 0 0. 0. 3 3.02 5.44 21 _ GLN 22 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.33 2.55 0 0. 0. 3 1.33 2.55 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.33 1.33 0 0. 0. 1 1.33 1.33 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.02 0.02 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 1 0. 0. 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 3.02 6.05 0 0. 0. 3 3.02 5.44 21 _ GLY 45 1 0.03 0.03 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.68 0.68 0 0. 0. 1 0.68 0.68 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 3 1.01 1.90 0 0. 0. 2 1.01 1.71 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 2 0.24 0.24 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 9 1.76 7.59 0 0. 0. 6 1.76 7.03 22 _ SER 55 3 0.31 0.48 0 0. 0. 0 0. 0. 23 _ VAL 56 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 57 2 1.53 1.59 0 0. 0. 1 1.53 1.53 17 _ LYS 58 3 1.53 1.90 0 0. 0. 1 1.53 1.53 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.66 0.83 0 0. 0. 1 0.66 0.66 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.24 0.24 0 0. 0. 0 0. 0. 5 _ SER 67 3 1.01 1.90 0 0. 0. 2 1.01 1.71 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.01 0.01 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.01 0.01 0 0. 0. 0 0. 0. 13 _ SER 74 0 0. 0. 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 5 1.33 2.75 0 0. 0. 3 1.33 2.55 12 _ VAL 78 1 0.20 0.20 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 1 1.33 1.33 0 0. 0. 1 1.33 1.33 21 _ THR 82 1 0.02 0.02 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_06 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.28 1.28 0 0. 0. 1 1.28 1.28 8 _ TYR 10 9 1.85 5.57 0 0. 0. 4 1.85 4.86 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.14 0.14 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.14 0.14 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.53 0.53 0 0. 0. 1 0.53 0.53 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.68 1.25 0 0. 0. 1 0.68 0.68 31 _ ASP 20 3 0.68 1.23 0 0. 0. 1 0.68 0.68 18 _ PHE 21 6 2.96 5.86 0 0. 0. 3 2.96 5.23 21 _ GLN 22 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 4 1.47 3.13 0 0. 0. 3 1.47 3.13 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 2 1.59 1.59 0 0. 0. 1 1.59 1.59 10 _ ASP 30 1 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 0 0. 0. 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 1 0.03 0.03 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 2.96 5.75 0 0. 0. 3 2.96 5.23 21 _ GLY 45 1 0.10 0.10 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.53 0.53 0 0. 0. 1 0.53 0.53 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 1 0.31 0.31 0 0. 0. 0 0. 0. 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 2 0.28 0.37 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 9 1.85 7.08 0 0. 0. 6 1.85 6.72 22 _ SER 55 3 0.27 0.54 0 0. 0. 0 0. 0. 23 _ VAL 56 1 0.51 0.51 0 0. 0. 1 0.51 0.51 6 _ ASN 57 2 0.89 1.40 0 0. 0. 2 0.89 1.40 17 _ LYS 58 2 0.89 1.10 0 0. 0. 1 0.89 0.89 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.58 0.66 0 0. 0. 1 0.58 0.58 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.28 0.28 0 0. 0. 0 0. 0. 5 _ SER 67 1 0.31 0.31 0 0. 0. 0 0. 0. 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0. 0. 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0. 0. 0 0. 0. 0 0. 0. 13 _ SER 74 0 0. 0. 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 5 1.47 3.34 0 0. 0. 3 1.47 3.13 12 _ VAL 78 1 0.18 0.18 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 1 1.59 1.59 0 0. 0. 1 1.59 1.59 21 _ THR 82 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_07 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.25 1.25 0 0. 0. 1 1.25 1.25 8 _ TYR 10 9 1.85 5.77 0 0. 0. 4 1.85 5.04 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.14 0.14 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.14 0.14 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.64 0.64 0 0. 0. 1 0.64 0.64 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.68 1.29 0 0. 0. 1 0.68 0.68 31 _ ASP 20 3 0.68 1.32 0 0. 0. 1 0.68 0.68 18 _ PHE 21 5 3.01 6.07 0 0. 0. 3 3.01 5.41 21 _ GLN 22 1 0.03 0.03 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.41 2.53 0 0. 0. 2 1.41 2.14 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 1 0.20 0.20 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.78 1.78 0 0. 0. 1 1.78 1.78 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 1 0.10 0.10 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.01 0.01 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 1 0.01 0.01 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 2 0.07 0.09 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 3.01 6.10 0 0. 0. 3 3.01 5.41 21 _ GLY 45 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.64 0.64 0 0. 0. 1 0.64 0.64 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 3 0.97 1.67 0 0. 0. 2 0.97 1.60 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 2 0.21 0.26 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 9 1.85 7.45 0 0. 0. 6 1.85 6.90 22 _ SER 55 3 0.25 0.31 0 0. 0. 0 0. 0. 23 _ VAL 56 1 0.47 0.47 0 0. 0. 1 0.47 0.47 6 _ ASN 57 2 0.82 1.29 0 0. 0. 2 0.82 1.29 17 _ LYS 58 1 0.82 0.82 0 0. 0. 1 0.82 0.82 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 1 0.03 0.03 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.61 0.76 0 0. 0. 1 0.61 0.61 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.21 0.21 0 0. 0. 0 0. 0. 5 _ SER 67 3 0.97 1.67 0 0. 0. 2 0.97 1.60 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.03 0.03 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.03 0.03 0 0. 0. 0 0. 0. 13 _ SER 74 1 0.03 0.03 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 6 1.41 2.90 0 0. 0. 2 1.41 2.14 12 _ VAL 78 1 0.29 0.29 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 3 1.78 2.08 0 0. 0. 1 1.78 1.78 21 _ THR 82 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_08 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.29 1.29 0 0. 0. 1 1.29 1.29 8 _ TYR 10 7 1.43 4.61 0 0. 0. 4 1.43 4.10 26 _ ARG 11 1 0.06 0.06 0 0. 0. 0 0. 0. 6 _ GLU 12 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.65 0.65 0 0. 0. 1 0.65 0.65 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 2 0.68 0.98 0 0. 0. 1 0.68 0.68 31 _ ASP 20 2 0.68 1.00 0 0. 0. 1 0.68 0.68 18 _ PHE 21 5 2.98 5.90 0 0. 0. 3 2.98 5.34 21 _ GLN 22 1 0.03 0.03 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 1.45 2.78 0 0. 0. 3 1.45 2.78 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 1 0.01 0.01 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.20 1.20 0 0. 0. 1 1.20 1.20 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.01 0.01 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 0 0. 0. 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 2.98 5.92 0 0. 0. 3 2.98 5.34 21 _ GLY 45 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.65 0.65 0 0. 0. 1 0.65 0.65 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 1 0.05 0.05 0 0. 0. 0 0. 0. 7 _ ILE 50 2 0.39 0.52 0 0. 0. 0 0. 0. 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 1 0.24 0.24 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 10 1.43 6.75 0 0. 0. 6 1.43 6.14 22 _ SER 55 3 0.08 0.17 0 0. 0. 0 0. 0. 23 _ VAL 56 1 0.60 0.60 0 0. 0. 1 0.60 0.60 6 _ ASN 57 4 0.79 1.43 0 0. 0. 2 0.79 1.38 17 _ LYS 58 3 0.79 0.90 0 0. 0. 1 0.79 0.79 9 _ GLU 59 1 0.03 0.03 0 0. 0. 0 0. 0. 9 _ GLU 60 0 0. 0. 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.75 1.07 0 0. 0. 1 0.75 0.75 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 0 0. 0. 0 0. 0. 0 0. 0. 5 _ SER 67 3 0.39 0.56 0 0. 0. 0 0. 0. 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.03 0.03 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.03 0.03 0 0. 0. 0 0. 0. 13 _ SER 74 1 0.03 0.03 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 4 1.45 3.05 0 0. 0. 3 1.45 2.78 12 _ VAL 78 1 0.26 0.26 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 2 1.20 1.22 0 0. 0. 1 1.20 1.20 21 _ THR 82 1 0.01 0.01 0 0. 0. 0 0. 0. 7 _ LYS 83 1 0.01 0.01 0 0. 0. 0 0. 0. 6 _ LYS 84 1 0.01 0.01 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_09 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.19 1.19 0 0. 0. 1 1.19 1.19 8 _ TYR 10 7 1.71 5.63 0 0. 0. 4 1.71 4.96 26 _ ARG 11 0 0. 0. 0 0. 0. 0 0. 0. 6 _ GLU 12 1 0.24 0.24 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 1 0.24 0.24 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.63 0.63 0 0. 0. 1 0.63 0.63 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 3 0.69 1.31 0 0. 0. 1 0.69 0.69 31 _ ASP 20 3 0.69 1.17 0 0. 0. 1 0.69 0.69 18 _ PHE 21 7 1.76 3.93 0 0. 0. 2 1.76 2.43 21 _ GLN 22 1 0.48 0.48 0 0. 0. 1 0.48 0.48 8 _ GLU 23 1 0.48 0.48 0 0. 0. 1 0.48 0.48 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 3 0.52 0.73 0 0. 0. 1 0.52 0.52 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 0 0. 0. 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.26 1.26 0 0. 0. 1 1.26 1.26 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 1 0.06 0.06 0 0. 0. 0 0. 0. 23 _ ALA 32 2 0.22 0.40 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 1 0.18 0.18 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 0 0. 0. 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 7 1.76 3.54 0 0. 0. 2 1.76 2.43 21 _ GLY 45 2 0.37 0.49 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.63 0.63 0 0. 0. 1 0.63 0.63 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 0 0. 0. 0 0. 0. 0 0. 0. 7 _ ILE 50 3 0.99 1.73 0 0. 0. 2 0.99 1.64 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 1 0.21 0.21 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 8 1.71 7.16 0 0. 0. 6 1.71 6.65 22 _ SER 55 2 0.16 0.27 0 0. 0. 0 0. 0. 23 _ VAL 56 1 0.48 0.48 0 0. 0. 1 0.48 0.48 6 _ ASN 57 2 0.86 1.33 0 0. 0. 2 0.86 1.33 17 _ LYS 58 1 0.86 0.86 0 0. 0. 1 0.86 0.86 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 1 0.11 0.11 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 1 0.50 0.50 0 0. 0. 1 0.50 0.50 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 1 0.21 0.21 0 0. 0. 0 0. 0. 5 _ SER 67 3 0.99 1.73 0 0. 0. 2 0.99 1.64 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.04 0.04 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.04 0.04 0 0. 0. 0 0. 0. 13 _ SER 74 0 0. 0. 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 3 0.52 1.11 0 0. 0. 1 0.52 0.52 12 _ VAL 78 1 0.38 0.38 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 2 1.26 1.33 0 0. 0. 1 1.26 1.26 21 _ THR 82 1 0.22 0.22 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RESIDUE_for_STRUCTURE_Str_10 $ TABLE #RECORDS 84 #ITEMS 13 Chn Resnm Res NumUPPv MaxUPPv TotUPPv NumLOWv MaxLOWv TotLOWv NumBIGv MaxBIGv TotBIGv NRestr _ GLY 1 0 0. 0. 0 0. 0. 0 0. 0. 0 _ SER 2 0 0. 0. 0 0. 0. 0 0. 0. 0 _ HIS 3 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ASN 4 0 0. 0. 0 0. 0. 0 0. 0. 2 _ LYS 5 0 0. 0. 0 0. 0. 0 0. 0. 5 _ PRO 6 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 7 0 0. 0. 0 0. 0. 0 0. 0. 4 _ LEU 8 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 9 1 1.42 1.42 0 0. 0. 1 1.42 1.42 8 _ TYR 10 8 1.54 5.15 0 0. 0. 5 1.54 4.84 26 _ ARG 11 1 0.08 0.08 0 0. 0. 0 0. 0. 6 _ GLU 12 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 13 0 0. 0. 0 0. 0. 0 0. 0. 3 _ THR 14 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ILE 15 0 0. 0. 0 0. 0. 0 0. 0. 14 _ GLU 16 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 17 1 0.66 0.66 0 0. 0. 1 0.66 0.66 6 _ LYS 18 0 0. 0. 0 0. 0. 0 0. 0. 2 _ ILE 19 2 0.68 0.96 0 0. 0. 1 0.68 0.68 31 _ ASP 20 2 0.68 1.00 0 0. 0. 1 0.68 0.68 18 _ PHE 21 6 2.88 5.54 0 0. 0. 3 2.88 5.04 21 _ GLN 22 0 0. 0. 0 0. 0. 0 0. 0. 8 _ GLU 23 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 24 0 0. 0. 0 0. 0. 0 0. 0. 8 _ ILE 25 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLN 26 1 0.05 0.05 0 0. 0. 0 0. 0. 26 _ GLU 27 0 0. 0. 0 0. 0. 0 0. 0. 6 _ ASN 28 1 0.08 0.08 0 0. 0. 0 0. 0. 29 _ PRO 29 1 1.30 1.30 0 0. 0. 1 1.30 1.30 10 _ ASP 30 0 0. 0. 0 0. 0. 0 0. 0. 18 _ LEU 31 0 0. 0. 0 0. 0. 0 0. 0. 23 _ ALA 32 1 0.11 0.11 0 0. 0. 0 0. 0. 15 _ GLU 33 0 0. 0. 0 0. 0. 0 0. 0. 12 _ GLY 34 0 0. 0. 0 0. 0. 0 0. 0. 7 _ THR 35 0 0. 0. 0 0. 0. 0 0. 0. 17 _ VAL 36 0 0. 0. 0 0. 0. 0 0. 0. 4 _ ARG 37 0 0. 0. 0 0. 0. 0 0. 0. 2 _ VAL 38 0 0. 0. 0 0. 0. 0 0. 0. 7 _ LYS 39 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLN 40 1 0.06 0.06 0 0. 0. 0 0. 0. 16 _ GLU 41 0 0. 0. 0 0. 0. 0 0. 0. 0 _ GLY 42 0 0. 0. 0 0. 0. 0 0. 0. 0 _ LYS 43 0 0. 0. 0 0. 0. 0 0. 0. 3 _ LEU 44 5 2.88 5.55 0 0. 0. 3 2.88 5.04 21 _ GLY 45 1 0.03 0.03 0 0. 0. 0 0. 0. 12 _ LYS 46 1 0.66 0.66 0 0. 0. 1 0.66 0.66 22 _ LYS 47 0 0. 0. 0 0. 0. 0 0. 0. 3 _ VAL 48 0 0. 0. 0 0. 0. 0 0. 0. 4 _ GLU 49 1 0.10 0.10 0 0. 0. 0 0. 0. 7 _ ILE 50 2 0.48 0.69 0 0. 0. 1 0.48 0.48 17 _ VAL 51 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ARG 52 1 0.18 0.18 0 0. 0. 0 0. 0. 10 _ ILE 53 0 0. 0. 0 0. 0. 0 0. 0. 2 _ PHE 54 9 1.54 7.09 0 0. 0. 7 1.54 6.86 22 _ SER 55 3 0.13 0.24 0 0. 0. 0 0. 0. 23 _ VAL 56 1 0.50 0.50 0 0. 0. 1 0.50 0.50 6 _ ASN 57 2 0.87 1.37 0 0. 0. 2 0.87 1.37 17 _ LYS 58 1 0.87 0.87 0 0. 0. 1 0.87 0.87 9 _ GLU 59 0 0. 0. 0 0. 0. 0 0. 0. 9 _ GLU 60 1 0.13 0.13 0 0. 0. 0 0. 0. 14 _ VAL 61 0 0. 0. 0 0. 0. 0 0. 0. 9 _ SER 62 2 0.60 0.74 0 0. 0. 1 0.60 0.60 14 _ ARG 63 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLU 64 0 0. 0. 0 0. 0. 0 0. 0. 3 _ ILE 65 0 0. 0. 0 0. 0. 0 0. 0. 8 _ VAL 66 0 0. 0. 0 0. 0. 0 0. 0. 5 _ SER 67 3 0.48 0.79 0 0. 0. 1 0.48 0.48 16 _ THR 68 0 0. 0. 0 0. 0. 0 0. 0. 2 _ SER 69 0 0. 0. 0 0. 0. 0 0. 0. 4 _ THR 70 0 0. 0. 0 0. 0. 0 0. 0. 1 _ THR 71 0 0. 0. 0 0. 0. 0 0. 0. 13 _ ALA 72 1 0.04 0.04 0 0. 0. 0 0. 0. 14 _ PRO 73 1 0.04 0.04 0 0. 0. 0 0. 0. 13 _ SER 74 0 0. 0. 0 0. 0. 0 0. 0. 16 _ PRO 75 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ARG 76 0 0. 0. 0 0. 0. 0 0. 0. 0 _ ILE 77 3 0.13 0.24 0 0. 0. 0 0. 0. 12 _ VAL 78 1 0.13 0.13 0 0. 0. 0 0. 0. 6 _ GLU 79 0 0. 0. 0 0. 0. 0 0. 0. 12 _ LYS 80 0 0. 0. 0 0. 0. 0 0. 0. 7 _ GLY 81 2 1.30 1.38 0 0. 0. 1 1.30 1.30 21 _ THR 82 1 0.11 0.11 0 0. 0. 0 0. 0. 7 _ LYS 83 0 0. 0. 0 0. 0. 0 0. 0. 6 _ LYS 84 0 0. 0. 0 0. 0. 0 0. 0. 4 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_ALL_STRUCTURES $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 2 0.01 0.01 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 1330 sequential 66 1.59 27.50 0.42 0.42 0.02 0.11 0 0. 0. 0. 0. 0. 0. 27 1.59 22.36 1730 medium 26 0.41 6.20 0.24 0.11 0.02 0.07 0 0. 0. 0. 0. 0. 0. 1 0.41 0.41 330 long 272 3.32 182.77 0.67 0.67 0.14 0.41 0 0. 0. 0. 0. 0. 0. 141 3.32 161.86 1330 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_01 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 6 1.55 2.82 0.47 0.53 0.02 0.13 0 0. 0. 0. 0. 0. 0. 2 1.55 2.23 173 medium 3 0.36 0.75 0.25 0.07 0.02 0.08 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 30 3.18 19.68 0.66 0.68 0.15 0.42 0 0. 0. 0. 0. 0. 0. 17 3.18 18.14 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_02 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 6 1.57 2.64 0.44 0.55 0.02 0.13 0 0. 0. 0. 0. 0. 0. 2 1.57 2.25 173 medium 3 0.32 0.66 0.22 0.08 0.02 0.07 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 22 3.02 15.03 0.68 0.68 0.11 0.38 0 0. 0. 0. 0. 0. 0. 12 3.02 13.20 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_03 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 6 1.57 2.61 0.44 0.55 0.02 0.13 0 0. 0. 0. 0. 0. 0. 2 1.57 2.23 173 medium 1 0.41 0.41 0.41 0. 0.01 0.07 0 0. 0. 0. 0. 0. 0. 1 0.41 0.41 33 long 25 3.32 17.32 0.69 0.76 0.13 0.43 0 0. 0. 0. 0. 0. 0. 12 3.32 15.04 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_04 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 8 1.59 3.63 0.45 0.47 0.02 0.14 0 0. 0. 0. 0. 0. 0. 3 1.59 2.76 173 medium 3 0.35 0.83 0.28 0.10 0.03 0.08 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 26 3.00 19.37 0.75 0.69 0.15 0.42 0 0. 0. 0. 0. 0. 0. 15 3.00 17.48 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_05 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 6 1.53 2.76 0.46 0.53 0.02 0.13 0 0. 0. 0. 0. 0. 0. 2 1.53 2.21 173 medium 3 0.32 0.94 0.31 0.01 0.03 0.09 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 29 3.02 20.58 0.71 0.68 0.15 0.43 0 0. 0. 0. 0. 0. 0. 16 3.02 18.75 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_06 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 1 0.01 0.01 0.01 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 7 0.89 2.53 0.36 0.32 0.01 0.10 0 0. 0. 0. 0. 0. 0. 3 0.89 2.09 173 medium 3 0.31 0.65 0.22 0.07 0.02 0.07 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 26 2.96 19.23 0.74 0.70 0.14 0.43 0 0. 0. 0. 0. 0. 0. 14 2.96 17.19 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_07 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 6 0.82 2.54 0.42 0.27 0.01 0.09 0 0. 0. 0. 0. 0. 0. 3 0.82 1.97 173 medium 3 0.37 0.52 0.17 0.15 0.02 0.07 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 32 3.01 21.15 0.66 0.69 0.16 0.44 0 0. 0. 0. 0. 0. 0. 15 3.01 18.47 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_08 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 8 0.79 2.42 0.30 0.31 0.01 0.09 0 0. 0. 0. 0. 0. 0. 3 0.79 2.07 173 medium 3 0.30 0.41 0.14 0.12 0.01 0.05 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 27 2.98 18.19 0.67 0.66 0.14 0.40 0 0. 0. 0. 0. 0. 0. 14 2.98 16.11 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_09 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 1 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 8 0.86 3.33 0.42 0.26 0.02 0.10 0 0. 0. 0. 0. 0. 0. 4 0.86 2.50 173 medium 3 0.34 0.76 0.25 0.07 0.02 0.08 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 27 1.76 16.07 0.60 0.50 0.12 0.33 0 0. 0. 0. 0. 0. 0. 13 1.76 13.14 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END $ DATA RESTRAINT_VIOLATION_SUMMARY_per_RANGE_TYPE_for_STRUCTURE_Str_10 $ TABLE #RECORDS 5 #ITEMS 19 Type NumUPPv MaxUPPv TotUPPv Av1UPPv sd1UPPv Av2UPPv sd2UPPv NumLOWv MaxLOWv TotLOWv Av1LOWv sd1LOWv Av2LOWv sd2LOWv NumBIGv MaxBIGv TotBIGv NRestr intra 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 133 sequential 5 0.87 2.21 0.44 0.32 0.01 0.09 0 0. 0. 0. 0. 0. 0. 3 0.87 2.05 173 medium 1 0.28 0.28 0.28 0. 0.01 0.05 0 0. 0. 0. 0. 0. 0. 0 0. 0. 33 long 28 2.88 16.15 0.58 0.66 0.12 0.38 0 0. 0. 0. 0. 0. 0. 13 2.88 14.34 133 inter 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0. 0. 0. 0. 0 0. 0. 0 $ END
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