#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia9 n ASN 1550N 0.00 -1.42 -2.18 3.42 6.94 -1.26 -5.06 115.26 115.70 1ia9 n ASN 1550Ca 0.00 -1.57 0.01 0.00 -0.02 0.00 0.00 54.58 53.00 1ia9 n ASN 1550Cb 0.00 2.26 0.04 0.00 -2.36 0.00 0.00 39.78 39.72 1ia9 n ASN 1550CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ia9 n TYR 1551N -0.78 0.46 -0.59 -2.53 0.18 -1.26 -5.14 117.16 107.50 1ia9 n TYR 1551Ca 0.01 -1.36 -0.19 0.00 1.88 0.00 0.00 57.90 58.24 1ia9 n TYR 1551Cb 0.55 -0.04 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 1ia9 n TYR 1551CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 1ia9 n TYR 1552N -0.18 -0.80 -1.48 -3.48 0.18 -1.26 -4.94 117.16 105.19 1ia9 n TYR 1552Ca 0.03 0.43 -0.30 0.00 1.88 0.00 0.00 57.90 59.94 1ia9 n TYR 1552Cb 0.94 -0.87 0.10 0.00 -0.38 0.00 0.00 39.34 39.14 1ia9 n TYR 1552CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1ia9 s TYR 1553N -1.26 2.71 0.57 -3.48 1.13 -1.26 -5.08 117.35 110.68 1ia9 s TYR 1553Ca 0.18 1.16 0.04 0.00 -1.41 0.00 0.00 57.07 57.03 1ia9 s TYR 1553Cb 0.05 -3.14 0.11 0.00 -1.10 0.00 0.00 41.96 37.88 1ia9 s TYR 1553CO 0.32 -1.93 0.78 -1.13 -2.51 0.00 0.00 175.55 171.09 1ia9 n SER 1554N -3.54 1.44 -0.00 -0.18 3.41 -1.26 -4.89 113.62 108.60 1ia9 n SER 1554Ca 0.07 -2.13 -0.11 0.00 -0.26 0.00 0.00 58.87 56.44 1ia9 n SER 1554Cb 0.56 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1ia9 n SER 1554CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ia9 h ALA 1555N -0.26 0.12 -0.42 7.33 0.00 -1.98 -0.21 119.26 123.84 1ia9 h ALA 1555Ca -0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ia9 h ALA 1555Cb 1.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1ia9 h ALA 1555CO 0.32 -0.38 0.26 0.28 0.00 0.00 0.00 179.25 179.73 1ia9 h VAL 1556N 0.10 1.06 -0.51 0.00 2.07 -1.98 0.30 116.25 117.29 1ia9 h VAL 1556Ca 0.03 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ia9 h VAL 1556Cb 0.02 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ia9 h VAL 1556CO -0.01 0.09 0.22 -0.33 0.02 0.00 0.00 177.57 177.57 1ia9 h GLU 1557N 0.52 0.74 -0.54 1.57 5.08 -1.91 -1.55 114.58 118.49 1ia9 h GLU 1557Ca 0.16 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ia9 h GLU 1557Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1ia9 h GLU 1557CO -0.06 0.64 0.13 -0.09 -1.00 0.00 0.00 179.01 178.62 1ia9 h ARG 1558N 0.67 0.87 -0.77 2.33 2.43 -0.65 -2.72 114.38 116.53 1ia9 h ARG 1558Ca 0.17 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1ia9 h ARG 1558Cb 0.16 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1ia9 h ARG 1558CO -0.02 0.82 0.50 -0.91 -1.51 0.00 0.00 179.97 178.85 1ia9 h ASN 1559N 0.76 0.83 0.85 -3.80 -0.26 -0.19 -1.13 115.58 112.64 1ia9 h ASN 1559Ca 0.17 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 1ia9 h ASN 1559Cb 0.34 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 1ia9 h ASN 1559CO 0.00 0.58 -0.22 0.78 -1.06 0.00 0.00 177.43 177.51 1ia9 h ASN 1560N 0.98 0.00 0.00 5.81 2.35 -1.10 -1.94 115.58 121.68 1ia9 h ASN 1560Ca 0.30 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1ia9 h ASN 1560Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1ia9 h ASN 1560CO -0.10 0.22 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.58 1ia9 h LEU 1561N 0.00 0.00 -1.42 1.61 3.38 -1.16 -3.33 115.31 114.38 1ia9 h LEU 1561Ca -0.00 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 1ia9 h LEU 1561Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1ia9 h LEU 1561CO 0.03 1.05 0.18 0.24 0.09 0.00 0.00 178.44 180.02 1ia9 h MET 1562N -1.00 0.56 -0.09 1.13 2.86 -1.23 -2.17 114.93 114.99 1ia9 h MET 1562Ca -0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1ia9 h MET 1562Cb 0.97 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1ia9 h MET 1562CO -0.04 0.46 0.03 -0.09 1.06 0.00 0.00 176.91 178.32 1ia9 h ARG 1563N 0.57 0.13 0.00 1.72 2.43 -1.50 -1.37 114.38 116.36 1ia9 h ARG 1563Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ia9 h ARG 1563Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1ia9 h ARG 1563CO -0.02 0.12 0.00 -0.07 -1.51 0.00 0.00 179.97 178.49 1ia9 h LEU 1564N 0.13 0.00 -0.04 3.80 3.38 -1.50 -2.44 115.31 118.64 1ia9 h LEU 1564Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ia9 h LEU 1564Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ia9 h LEU 1564CO -0.00 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 176.96 1ia9 n SER 1565N -3.00 0.09 -4.85 -0.43 3.41 -0.51 -4.84 113.62 103.48 1ia9 n SER 1565Ca 0.01 -0.15 -0.23 0.00 -0.26 0.00 0.00 58.87 58.24 1ia9 n SER 1565Cb 0.32 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1ia9 n SER 1565CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ia9 s GLN 1566N -2.61 2.39 -0.08 4.33 -0.21 -0.92 -5.07 119.66 117.49 1ia9 s GLN 1566Ca 0.27 -1.72 -0.30 0.00 0.02 0.00 0.00 55.36 53.63 1ia9 s GLN 1566Cb 0.20 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1ia9 s GLN 1566CO 0.48 -0.28 1.24 -1.12 -2.12 0.00 0.00 175.29 173.48 1ia9 s SER 1567N -4.12 7.00 -0.02 5.90 0.01 -1.26 -5.01 113.70 116.20 1ia9 s SER 1567Ca 0.44 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1ia9 s SER 1567Cb -0.01 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1ia9 s SER 1567CO 0.25 -0.65 0.02 -0.63 0.41 0.00 0.00 173.24 172.65 1ia9 s ILE 1568N 2.63 4.35 0.28 1.44 1.01 -1.26 -5.07 121.20 124.57 1ia9 s ILE 1568Ca 0.56 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1ia9 s ILE 1568Cb -0.24 -2.93 -0.12 0.00 0.01 0.00 0.00 42.46 39.17 1ia9 s ILE 1568CO 0.20 0.42 1.48 -0.81 0.00 0.00 0.00 174.94 176.23 1ia9 n PRO 1569N 1.49 2.37 -3.51 2.79 -0.04 -1.26 -4.99 135.00 131.85 1ia9 n PRO 1569Ca -0.15 0.84 -0.25 0.00 -0.04 0.00 0.00 63.50 63.90 1ia9 n PRO 1569Cb 0.53 -2.55 -0.14 0.00 -0.04 0.00 0.00 33.50 31.30 1ia9 n PRO 1569CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ia9 s PHE 1570N -0.19 0.08 -0.76 0.54 5.36 -1.26 -5.09 117.98 116.67 1ia9 s PHE 1570Ca 0.64 -0.61 -0.04 0.00 -0.96 0.00 0.00 56.93 55.97 1ia9 s PHE 1570Cb -0.56 -0.75 0.19 0.00 -0.34 0.00 0.00 43.02 41.56 1ia9 s PHE 1570CO 0.51 -0.82 0.62 0.08 -1.46 0.00 0.00 175.22 174.15 1ia9 s VAL 1571N 2.18 4.19 -0.11 3.12 1.01 -1.26 -5.06 120.40 124.46 1ia9 s VAL 1571Ca 0.08 -3.29 -0.29 0.00 0.00 0.00 0.00 61.98 58.48 1ia9 s VAL 1571Cb -0.15 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1ia9 s VAL 1571CO -0.33 -0.98 1.90 -2.16 0.00 0.00 0.00 175.10 173.53 1ia9 s PRO 1572N -0.58 3.80 0.01 2.72 0.04 -1.26 -4.92 135.00 134.80 1ia9 s PRO 1572Ca 0.21 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.10 1ia9 s PRO 1572Cb -0.14 -4.16 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 1ia9 s PRO 1572CO -0.08 -1.32 1.96 1.33 0.04 0.00 0.00 177.00 178.93 1ia9 n VAL 1573N 6.33 0.74 -0.97 -0.36 0.24 -1.26 -4.87 118.33 118.17 1ia9 n VAL 1573Ca 0.22 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.34 62.06 1ia9 n VAL 1573Cb 0.43 -2.23 -0.01 0.00 -1.47 0.00 0.00 33.84 30.56 1ia9 n VAL 1573CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ia9 n PRO 1574N 7.38 0.00 -2.80 7.34 -0.02 -1.26 -4.89 135.00 140.74 1ia9 n PRO 1574Ca 0.21 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 1ia9 n PRO 1574Cb 0.38 -0.72 -0.04 0.00 -0.02 0.00 0.00 33.50 33.10 1ia9 n PRO 1574CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ia9 s PRO 1575N -0.72 3.55 0.05 0.52 0.04 -1.26 -5.04 135.00 132.14 1ia9 s PRO 1575Ca 0.44 0.20 0.09 0.00 0.04 0.00 0.00 61.00 61.77 1ia9 s PRO 1575Cb -0.57 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 1ia9 s PRO 1575CO 0.43 -1.23 -0.25 1.03 0.04 0.00 0.00 177.00 177.02 1ia9 s ARG 1576N 3.80 1.67 0.00 4.56 3.00 -1.26 -5.09 118.95 125.63 1ia9 s ARG 1576Ca 0.38 -1.10 0.00 0.00 0.00 0.00 0.00 55.73 55.01 1ia9 s ARG 1576Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 32.99 1ia9 s ARG 1576CO 0.27 0.48 0.00 0.41 0.00 0.00 0.00 175.30 176.45 1ia9 n GLY 1577N 1.70 3.87 3.24 -3.53 0.00 -1.26 -4.94 105.19 104.27 1ia9 n GLY 1577Ca -0.17 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1ia9 n GLY 1577CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ia9 s GLU 1578N -3.51 3.17 0.14 1.61 2.56 0.30 -4.85 118.70 118.12 1ia9 s GLU 1578Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 54.97 53.90 1ia9 s GLU 1578Cb 0.00 -2.62 -0.08 0.00 2.00 0.00 0.00 34.13 33.43 1ia9 s GLU 1578CO 0.00 -0.03 1.34 -1.25 -0.56 0.00 0.00 175.26 174.76 1ia9 s PRO 1579N 0.92 4.36 0.09 4.30 0.04 -1.26 -0.41 135.00 143.03 1ia9 s PRO 1579Ca -0.03 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1ia9 s PRO 1579Cb -0.15 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ia9 s PRO 1579CO -0.02 -0.36 0.04 0.14 0.04 0.00 0.00 177.00 176.85 1ia9 s VAL 1580N 0.77 0.16 -0.18 -0.36 -7.23 -0.40 -4.28 120.40 108.88 1ia9 s VAL 1580Ca 0.61 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1ia9 s VAL 1580Cb -0.36 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1ia9 s VAL 1580CO 0.33 -0.72 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.44 1ia9 s THR 1581N -3.97 3.47 -0.14 5.32 2.01 -0.98 -1.51 115.64 119.85 1ia9 s THR 1581Ca 0.14 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1ia9 s THR 1581Cb 0.07 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1ia9 s THR 1581CO -0.05 0.47 0.12 -0.69 -0.69 0.00 0.00 174.62 173.78 1ia9 s VAL 1582N 0.85 5.33 -0.02 3.82 1.01 0.72 -1.51 120.40 130.60 1ia9 s VAL 1582Ca -0.02 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1ia9 s VAL 1582Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1ia9 s VAL 1582CO 0.01 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.15 1ia9 s TYR 1583N -0.60 1.96 0.10 5.22 2.02 0.40 -2.03 117.35 124.42 1ia9 s TYR 1583Ca 0.12 -0.37 0.10 0.00 -0.37 0.00 0.00 57.07 56.55 1ia9 s TYR 1583Cb -0.12 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1ia9 s TYR 1583CO 0.02 -0.04 -0.27 0.50 -1.57 0.00 0.00 175.55 174.20 1ia9 s ARG 1584N -0.50 1.54 -0.58 -0.62 3.52 -1.26 -0.60 118.95 120.44 1ia9 s ARG 1584Ca 0.08 -1.26 -0.20 0.00 -0.13 0.00 0.00 55.73 54.22 1ia9 s ARG 1584Cb -0.08 -1.93 0.09 0.00 -1.56 0.00 0.00 34.95 31.47 1ia9 s ARG 1584CO -0.01 0.47 0.74 -1.17 -0.81 0.00 0.00 175.30 174.52 1ia9 s LEU 1585N -1.76 5.11 0.81 -0.88 2.96 -1.26 -0.92 118.68 122.74 1ia9 s LEU 1585Ca 0.13 -1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 52.70 1ia9 s LEU 1585Cb -0.10 -2.36 0.08 0.00 0.50 0.00 0.00 46.19 44.31 1ia9 s LEU 1585CO 0.05 -1.13 1.10 -1.61 -1.32 0.00 0.00 176.35 173.44 1ia9 s GLU 1586N 2.93 1.95 -0.00 1.98 2.02 0.18 -4.82 118.70 122.93 1ia9 s GLU 1586Ca 0.14 0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.77 1ia9 s GLU 1586Cb -0.22 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1ia9 s GLU 1586CO 0.08 -1.71 -0.12 -1.21 0.02 0.00 0.00 175.26 172.33 1ia9 s GLU 1587N -5.17 0.93 0.22 1.61 0.41 -1.26 -1.91 118.70 113.53 1ia9 s GLU 1587Ca 0.61 -0.45 0.06 0.00 -0.41 0.00 0.00 54.97 54.79 1ia9 s GLU 1587Cb -0.15 -0.90 0.17 0.00 -1.78 0.00 0.00 34.13 31.48 1ia9 s GLU 1587CO 0.54 0.25 1.50 0.66 -0.49 0.00 0.00 175.26 177.72 1ia9 h SER 1588N 5.76 0.14 -2.11 -0.19 4.64 -1.75 -3.37 113.55 116.67 1ia9 h SER 1588Ca -0.33 -0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.33 1ia9 h SER 1588Cb 1.17 -0.04 -0.39 0.00 -0.31 0.00 0.00 62.40 62.83 1ia9 h SER 1588CO 0.49 0.81 -1.05 -1.20 -0.87 0.00 0.00 176.83 175.00 1ia9 n SER 1589N -3.73 0.17 -0.07 4.97 7.64 -1.26 -4.95 113.62 116.38 1ia9 n SER 1589Ca -0.02 -2.64 0.25 0.00 1.01 0.00 0.00 58.87 57.47 1ia9 n SER 1589Cb 0.70 -0.62 0.71 0.00 -1.01 0.00 0.00 64.21 63.99 1ia9 n SER 1589CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ia9 h PRO 1590N 4.43 0.00 -0.02 1.43 0.11 -1.96 0.22 132.00 136.21 1ia9 h PRO 1590Ca 0.13 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 1ia9 h PRO 1590Cb 0.88 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1ia9 h PRO 1590CO 0.45 0.00 -0.71 0.66 -0.21 0.00 0.00 178.00 178.20 1ia9 h SER 1591N 0.00 0.13 -2.18 -2.05 4.64 -1.96 -3.30 113.55 108.82 1ia9 h SER 1591Ca 0.34 -0.09 -0.59 0.00 -0.47 0.00 0.00 61.79 60.98 1ia9 h SER 1591Cb 1.61 -0.04 -0.42 0.00 -0.31 0.00 0.00 62.40 63.25 1ia9 h SER 1591CO -0.00 0.79 -0.70 -0.38 -0.87 0.00 0.00 176.83 175.67 1ia9 n ILE 1592N -3.75 2.04 -0.29 0.95 -0.00 0.75 -4.96 119.36 114.10 1ia9 n ILE 1592Ca -0.02 -5.13 0.12 0.00 -0.00 0.00 0.00 62.75 57.72 1ia9 n ILE 1592Cb 0.69 -1.81 0.28 0.00 -0.00 0.00 0.00 39.64 38.80 1ia9 n ILE 1592CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1ia9 h LEU 1593N 3.79 0.08 0.00 1.39 5.85 -1.59 0.88 115.31 125.71 1ia9 h LEU 1593Ca 0.16 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1ia9 h LEU 1593Cb 0.66 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1ia9 h LEU 1593CO 0.77 -0.11 0.00 -0.46 -0.34 0.00 0.00 178.44 178.30 1ia9 n ASN 1594N -5.18 0.00 -0.16 1.25 6.94 -1.26 -1.63 115.26 115.22 1ia9 n ASN 1594Ca 0.21 0.06 0.07 0.00 -0.02 0.00 0.00 54.58 54.90 1ia9 n ASN 1594Cb 0.65 -0.27 0.10 0.00 -2.36 0.00 0.00 39.78 37.90 1ia9 n ASN 1594CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ia9 n ASN 1595N -1.27 1.78 -4.78 0.53 3.02 0.27 -5.05 115.26 109.77 1ia9 n ASN 1595Ca 0.07 -2.77 -0.31 0.00 -0.03 0.00 0.00 54.58 51.53 1ia9 n ASN 1595Cb 0.10 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 1ia9 n ASN 1595CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ia9 s SER 1596N -2.34 5.57 -0.16 6.41 0.15 -0.64 -4.83 113.70 117.86 1ia9 s SER 1596Ca 0.23 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 1ia9 s SER 1596Cb 0.20 -1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1ia9 s SER 1596CO 0.02 0.21 0.27 -0.32 1.20 0.00 0.00 173.24 174.61 1ia9 s MET 1597N -2.15 4.20 0.04 5.44 1.75 -1.26 -4.85 119.30 122.47 1ia9 s MET 1597Ca 0.27 0.05 -0.20 0.00 -1.25 0.00 0.00 55.69 54.56 1ia9 s MET 1597Cb -0.12 -3.41 -0.06 0.00 2.84 0.00 0.00 34.83 34.08 1ia9 s MET 1597CO 0.19 0.28 0.58 -1.12 -0.65 0.00 0.00 175.02 174.31 1ia9 s SER 1598N 0.34 7.03 -0.16 1.11 0.01 -1.26 -2.08 113.70 118.69 1ia9 s SER 1598Ca 0.15 1.22 -0.14 0.00 1.31 0.00 0.00 55.95 58.49 1ia9 s SER 1598Cb -0.13 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.78 1ia9 s SER 1598CO 0.03 0.20 0.42 -0.94 0.41 0.00 0.00 173.24 173.36 1ia9 s SER 1599N -0.71 -0.44 0.40 2.44 1.04 -0.80 -4.99 113.70 110.64 1ia9 s SER 1599Ca 0.30 0.85 -0.25 0.00 0.48 0.00 0.00 55.95 57.33 1ia9 s SER 1599Cb -0.19 0.85 -0.08 0.00 0.10 0.00 0.00 66.02 66.70 1ia9 s SER 1599CO 0.18 -0.15 1.16 0.26 0.98 0.00 0.00 173.24 175.68 1ia9 s TRP 1600N 0.32 3.08 0.78 5.02 0.52 -1.26 -0.65 118.94 126.75 1ia9 s TRP 1600Ca -0.01 1.56 -0.13 0.00 0.02 0.00 0.00 56.10 57.54 1ia9 s TRP 1600Cb -0.03 -3.39 0.06 0.00 -1.15 0.00 0.00 33.47 28.97 1ia9 s TRP 1600CO -0.00 -1.29 1.17 -1.54 0.02 0.00 0.00 176.95 175.31 1ia9 s SER 1601N -1.14 3.98 -0.17 2.95 1.04 -0.10 -4.84 113.70 115.41 1ia9 s SER 1601Ca 0.57 2.23 -0.15 0.00 0.48 0.00 0.00 55.95 59.08 1ia9 s SER 1601Cb -0.30 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.18 1ia9 s SER 1601CO 0.38 -2.40 -0.31 0.00 0.98 0.00 0.00 173.24 171.89 1ia9 n GLN 1602N -3.16 0.48 -2.88 4.02 3.00 -1.26 -4.88 117.38 112.70 1ia9 n GLN 1602Ca 0.12 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1ia9 n GLN 1602Cb 0.51 -1.33 -0.04 0.00 0.00 0.00 0.00 30.24 29.38 1ia9 n GLN 1602CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1ia9 s LEU 1603N -7.67 4.07 0.73 1.08 2.96 -1.26 -5.05 118.68 113.53 1ia9 s LEU 1603Ca -0.28 0.94 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 1ia9 s LEU 1603Cb 0.06 -3.20 0.04 0.00 0.50 0.00 0.00 46.19 43.59 1ia9 s LEU 1603CO 0.39 -0.58 1.12 -0.83 -1.32 0.00 0.00 176.35 175.13 1ia9 s GLY 1604N 1.44 2.00 0.06 7.98 0.00 -1.26 -4.97 107.32 112.57 1ia9 s GLY 1604Ca 0.35 0.52 0.09 0.00 0.00 0.00 0.00 44.72 45.68 1ia9 s GLY 1604CO 0.09 0.88 -0.24 1.08 0.00 0.00 0.00 173.10 174.92 1ia9 s LEU 1605N -5.38 2.32 0.30 0.66 1.43 -0.86 -4.91 118.68 112.23 1ia9 s LEU 1605Ca 0.66 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1ia9 s LEU 1605Cb -0.21 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 1ia9 s LEU 1605CO 0.48 0.24 0.93 0.00 0.23 0.00 0.00 176.35 178.23 1ia9 s ALA 1607N -1.53 -0.75 -0.06 0.00 0.00 -0.57 0.37 121.76 119.23 1ia9 s ALA 1607Ca 0.48 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1ia9 s ALA 1607Cb -0.20 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1ia9 s ALA 1607CO 0.25 -0.76 -0.07 0.21 0.00 0.00 0.00 175.76 175.38 1ia9 s LYS 1608N -3.89 1.18 -0.03 0.00 2.47 0.14 -1.27 119.74 118.34 1ia9 s LYS 1608Ca 0.10 -0.22 0.05 0.00 -1.56 0.00 0.00 55.97 54.34 1ia9 s LYS 1608Cb 0.00 -1.08 -0.01 0.00 -1.46 0.00 0.00 37.83 35.28 1ia9 s LYS 1608CO -0.03 -0.05 -0.20 0.96 0.16 0.00 0.00 175.35 176.19 1ia9 s ILE 1609N 0.87 1.59 -0.42 5.43 -4.36 0.45 -1.27 121.20 123.49 1ia9 s ILE 1609Ca -0.11 -0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 59.25 1ia9 s ILE 1609Cb -0.15 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.24 1ia9 s ILE 1609CO 0.01 0.45 0.54 -1.61 0.24 0.00 0.00 174.94 174.57 1ia9 s GLU 1610N -0.25 3.24 -1.34 0.37 2.02 0.48 0.11 118.70 123.34 1ia9 s GLU 1610Ca 0.02 -0.51 -0.17 0.00 0.02 0.00 0.00 54.97 54.33 1ia9 s GLU 1610Cb -0.10 -3.94 0.06 0.00 0.10 0.00 0.00 34.13 30.25 1ia9 s GLU 1610CO 0.01 -0.90 1.85 1.19 0.02 0.00 0.00 175.26 177.43 1ia9 n PHE 1611N 5.92 4.40 1.49 1.61 3.01 -1.26 0.06 117.46 132.69 1ia9 n PHE 1611Ca -0.04 -2.86 0.13 0.00 1.01 0.00 0.00 57.45 55.68 1ia9 n PHE 1611Cb 0.48 -2.62 0.73 0.00 -0.01 0.00 0.00 39.48 38.06 1ia9 n PHE 1611CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1ia9 n LEU 1612N 7.90 0.00 -3.91 4.37 -0.00 -1.26 -4.88 117.00 119.21 1ia9 n LEU 1612Ca 0.50 0.11 -0.09 0.00 -0.00 0.00 0.00 56.01 56.52 1ia9 n LEU 1612Cb 0.44 -0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1ia9 n LEU 1612CO 0.80 -0.02 -0.19 -0.94 -0.00 0.00 0.00 177.39 177.04 1ia9 s SER 1613N -2.21 0.15 0.00 1.45 1.04 -1.26 -5.01 113.70 107.87 1ia9 s SER 1613Ca 0.34 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 56.35 1ia9 s SER 1613Cb 0.18 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.64 1ia9 s SER 1613CO 0.34 -0.53 0.85 2.29 0.98 0.00 0.00 173.24 177.17 1ia9 n LYS 1614N 0.72 0.66 -2.44 4.02 0.00 -1.26 -4.85 118.16 115.01 1ia9 n LYS 1614Ca -0.19 -1.18 -0.42 0.00 -0.00 0.00 0.00 58.31 56.52 1ia9 n LYS 1614Cb 0.59 -1.18 -0.02 0.00 -0.00 0.00 0.00 35.03 34.41 1ia9 n LYS 1614CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ia9 s GLU 1615N -0.80 3.51 -0.59 -1.58 2.56 -1.26 -4.99 118.70 115.55 1ia9 s GLU 1615Ca 0.12 0.64 -0.11 0.00 0.00 0.00 0.00 54.97 55.62 1ia9 s GLU 1615Cb 0.08 -4.03 0.15 0.00 2.00 0.00 0.00 34.13 32.33 1ia9 s GLU 1615CO 0.12 -1.67 0.48 -1.21 -0.56 0.00 0.00 175.26 172.43 1ia9 s GLU 1616N 5.03 2.85 0.68 4.30 2.02 -1.26 -4.40 118.70 127.93 1ia9 s GLU 1616Ca 0.54 -2.01 -0.13 0.00 0.02 0.00 0.00 54.97 53.39 1ia9 s GLU 1616Cb -0.11 -4.09 0.01 0.00 0.10 0.00 0.00 34.13 30.04 1ia9 s GLU 1616CO 0.29 -1.24 1.09 -1.64 0.02 0.00 0.00 175.26 173.78 1ia9 s MET 1617N 0.96 2.73 0.00 1.61 -1.94 0.42 -4.70 119.30 118.39 1ia9 s MET 1617Ca 0.09 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 1ia9 s MET 1617Cb -0.23 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1ia9 s MET 1617CO -0.02 -1.28 0.00 0.41 -0.01 0.00 0.00 175.02 174.12 1ia9 n GLY 1618N -0.91 2.22 0.00 -0.03 0.00 -1.26 -0.97 105.19 104.23 1ia9 n GLY 1618Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1ia9 n GLY 1618CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia9 n GLY 1619N 1.41 0.92 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.30 1ia9 n GLY 1619Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ia9 n GLY 1619CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia9 n GLY 1620N 0.00 0.31 0.11 -0.02 0.00 -1.26 -4.90 105.19 99.43 1ia9 n GLY 1620Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1ia9 n GLY 1620CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ia9 n LEU 1621N 0.00 0.77 -4.53 0.99 4.77 -1.26 -4.85 117.00 112.88 1ia9 n LEU 1621Ca 0.00 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.33 1ia9 n LEU 1621Cb 0.00 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1ia9 n LEU 1621CO 0.00 -0.26 -0.26 -0.13 -1.33 0.00 0.00 177.39 175.41 1ia9 s ARG 1622N -3.14 1.82 -0.02 3.23 0.52 -1.26 -0.22 118.95 119.88 1ia9 s ARG 1622Ca 0.09 -2.04 0.03 0.00 -0.52 0.00 0.00 55.73 53.28 1ia9 s ARG 1622Cb 0.12 -1.09 -0.00 0.00 0.52 0.00 0.00 34.95 34.50 1ia9 s ARG 1622CO 0.55 -0.21 -0.09 0.50 0.02 0.00 0.00 175.30 176.07 1ia9 s ARG 1623N -3.82 0.82 -0.12 3.54 6.06 -0.51 -4.36 118.95 120.56 1ia9 s ARG 1623Ca 0.32 -0.30 -0.01 0.00 -2.50 0.00 0.00 55.73 53.23 1ia9 s ARG 1623Cb 0.08 -0.79 -0.03 0.00 0.06 0.00 0.00 34.95 34.27 1ia9 s ARG 1623CO 0.15 0.15 -0.06 0.00 -2.50 0.00 0.00 175.30 173.03 1ia9 s ALA 1624N 0.01 2.93 -0.05 6.12 0.00 -0.14 -2.68 121.76 127.95 1ia9 s ALA 1624Ca -0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1ia9 s ALA 1624Cb -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1ia9 s ALA 1624CO 0.00 0.35 -0.14 0.08 0.00 0.00 0.00 175.76 176.05 1ia9 s VAL 1625N -0.07 1.21 0.30 0.00 1.01 -0.57 -0.44 120.40 121.84 1ia9 s VAL 1625Ca 0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1ia9 s VAL 1625Cb -0.13 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 1ia9 s VAL 1625CO 0.03 0.36 0.97 -0.54 0.00 0.00 0.00 175.10 175.92 1ia9 s LYS 1626N 0.28 4.65 0.18 2.72 1.02 -1.26 -1.03 119.74 126.30 1ia9 s LYS 1626Ca -0.08 1.46 -0.01 0.00 0.02 0.00 0.00 55.97 57.37 1ia9 s LYS 1626Cb -0.12 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1ia9 s LYS 1626CO 0.02 0.31 0.10 0.14 -0.92 0.00 0.00 175.35 175.01 1ia9 s VAL 1627N -1.41 0.08 0.06 3.17 -7.23 0.51 -4.05 120.40 111.53 1ia9 s VAL 1627Ca 0.47 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1ia9 s VAL 1627Cb -0.23 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1ia9 s VAL 1627CO 0.29 -0.17 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.48 1ia9 s LEU 1628N -3.13 2.47 -0.31 1.32 2.96 0.11 -0.94 118.68 121.17 1ia9 s LEU 1628Ca 0.34 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1ia9 s LEU 1628Cb 0.07 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 1ia9 s LEU 1628CO 0.08 0.24 0.18 0.00 -1.32 0.00 0.00 176.35 175.53 1ia9 h THR 1630N 5.55 1.56 -2.77 0.00 2.02 -1.51 1.69 112.91 119.45 1ia9 h THR 1630Ca -0.33 -2.20 -0.08 0.00 0.77 0.00 0.00 66.41 64.57 1ia9 h THR 1630Cb 1.16 2.98 -0.18 0.00 -1.74 0.00 0.00 68.15 70.37 1ia9 h THR 1630CO 0.61 0.53 -0.05 -1.66 0.37 0.00 0.00 175.52 175.32 1ia9 s TRP 1631N -2.17 -0.37 -0.06 3.16 1.48 -1.22 -4.02 118.94 115.75 1ia9 s TRP 1631Ca -0.18 0.47 -0.02 0.00 -1.06 0.00 0.00 56.10 55.31 1ia9 s TRP 1631Cb -0.02 0.26 0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1ia9 s TRP 1631CO 0.62 -0.56 0.12 -1.54 -4.06 0.00 0.00 176.95 171.53 1ia9 s SER 1632N -1.71 0.02 0.00 -2.66 1.04 -1.26 0.26 113.70 109.39 1ia9 s SER 1632Ca -0.08 0.25 -0.35 0.00 0.48 0.00 0.00 55.95 56.25 1ia9 s SER 1632Cb -0.02 0.13 -0.13 0.00 0.10 0.00 0.00 66.02 66.11 1ia9 s SER 1632CO 0.01 -0.15 1.74 1.21 0.98 0.00 0.00 173.24 177.03 1ia9 n GLU 1633N 4.31 2.06 -1.08 4.02 2.13 0.16 0.48 120.64 132.72 1ia9 n GLU 1633Ca -0.25 0.75 -0.03 0.00 0.66 0.00 0.00 57.16 58.30 1ia9 n GLU 1633Cb 0.51 -2.55 -0.01 0.00 0.27 0.00 0.00 31.44 29.66 1ia9 n GLU 1633CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ia9 n HIS 1634N 5.19 0.00 -3.81 4.31 8.25 -1.26 -3.60 115.22 124.29 1ia9 n HIS 1634Ca 0.21 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.43 1ia9 n HIS 1634Cb 0.28 -1.34 0.01 0.00 1.12 0.00 0.00 29.99 30.06 1ia9 n HIS 1634CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ia9 n ASP 1635N -0.38 -0.90 0.06 0.41 8.00 0.18 -4.86 116.55 119.06 1ia9 n ASP 1635Ca -0.03 -0.91 -0.06 0.00 0.71 0.00 0.00 54.79 54.50 1ia9 n ASP 1635Cb 0.30 -3.58 0.11 0.00 -0.02 0.00 0.00 41.12 37.93 1ia9 n ASP 1635CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ia9 h ILE 1636N -1.85 1.36 -2.08 0.53 2.10 -1.73 -3.42 117.51 112.41 1ia9 h ILE 1636Ca -0.62 -1.89 -0.55 0.00 1.08 0.00 0.00 64.86 62.88 1ia9 h ILE 1636Cb 1.37 1.90 -0.09 0.00 -1.09 0.00 0.00 36.82 38.91 1ia9 h ILE 1636CO 0.59 0.57 -0.60 -0.76 -1.08 0.00 0.00 178.15 176.87 1ia9 s LEU 1637N -8.09 3.26 -0.32 2.19 1.43 -1.26 -5.11 118.68 110.78 1ia9 s LEU 1637Ca -0.05 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1ia9 s LEU 1637Cb 0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1ia9 s LEU 1637CO 0.81 -0.11 0.23 -0.54 0.23 0.00 0.00 176.35 176.97 1ia9 s LYS 1638N -3.75 3.68 0.37 1.70 1.02 -1.26 -4.58 119.74 116.92 1ia9 s LYS 1638Ca 0.34 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.55 1ia9 s LYS 1638Cb -0.05 -3.75 -0.11 0.00 -0.52 0.00 0.00 37.83 33.40 1ia9 s LYS 1638CO 0.21 -0.34 1.43 -1.13 -0.92 0.00 0.00 175.35 174.60 1ia9 n SER 1639N 5.10 3.49 -1.74 2.83 3.41 -1.26 -2.32 113.62 123.13 1ia9 n SER 1639Ca -0.13 1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 59.57 1ia9 n SER 1639Cb 0.51 -1.58 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 1ia9 n SER 1639CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ia9 n GLY 1640N 0.58 -0.05 3.06 5.00 0.00 0.58 -4.97 105.19 109.38 1ia9 n GLY 1640Ca 0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1ia9 n GLY 1640CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ia9 s HIS 1641N -2.83 0.80 0.15 1.61 4.02 -0.98 -4.96 115.29 113.09 1ia9 s HIS 1641Ca 0.13 -0.34 -0.26 0.00 1.02 0.00 0.00 55.06 55.62 1ia9 s HIS 1641Cb -0.06 -0.48 -0.07 0.00 -1.02 0.00 0.00 32.58 30.94 1ia9 s HIS 1641CO 0.17 -0.02 0.82 -0.51 1.02 0.00 0.00 174.74 176.21 1ia9 s LEU 1642N -1.02 4.57 0.17 0.89 1.43 -1.26 -1.74 118.68 121.72 1ia9 s LEU 1642Ca -0.03 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1ia9 s LEU 1642Cb -0.07 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1ia9 s LEU 1642CO 0.01 0.14 -0.11 -0.31 0.23 0.00 0.00 176.35 176.31 1ia9 s TYR 1643N -0.86 1.41 -0.12 0.29 1.51 -0.11 -1.69 117.35 117.79 1ia9 s TYR 1643Ca 0.38 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1ia9 s TYR 1643Cb -0.23 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1ia9 s TYR 1643CO 0.27 0.15 -0.10 0.42 -1.11 0.00 0.00 175.55 175.18 1ia9 s ILE 1644N -3.23 3.38 -0.14 2.71 -1.09 0.16 -0.36 121.20 122.63 1ia9 s ILE 1644Ca 0.19 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1ia9 s ILE 1644Cb 0.02 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1ia9 s ILE 1644CO 0.03 0.53 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.54 1ia9 s ILE 1645N 0.10 3.36 -0.05 2.92 1.01 -0.19 -1.75 121.20 126.59 1ia9 s ILE 1645Ca -0.04 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1ia9 s ILE 1645Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1ia9 s ILE 1645CO 0.04 0.52 -0.25 -0.54 0.00 0.00 0.00 174.94 174.71 1ia9 s LYS 1646N 0.30 2.40 0.08 2.79 1.02 -0.25 -1.52 119.74 124.57 1ia9 s LYS 1646Ca -0.08 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.04 1ia9 s LYS 1646Cb -0.15 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1ia9 s LYS 1646CO 0.05 0.41 -0.08 0.45 -0.92 0.00 0.00 175.35 175.26 1ia9 s SER 1647N -0.25 1.14 0.60 2.83 0.15 -1.09 -2.57 113.70 114.51 1ia9 s SER 1647Ca -0.01 -0.83 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 1ia9 s SER 1647Cb -0.13 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1ia9 s SER 1647CO 0.03 -0.34 0.90 -0.36 1.20 0.00 0.00 173.24 174.66 1ia9 s PHE 1648N -2.70 3.16 0.02 3.44 0.40 -1.26 -1.42 117.98 119.62 1ia9 s PHE 1648Ca 0.04 0.53 -0.25 0.00 -0.60 0.00 0.00 56.93 56.66 1ia9 s PHE 1648Cb -0.01 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.67 1ia9 s PHE 1648CO -0.02 -0.91 0.76 -0.51 0.70 0.00 0.00 175.22 175.23 1ia9 s LEU 1649N -5.00 4.42 0.32 -0.37 1.43 0.70 -4.86 118.68 115.32 1ia9 s LEU 1649Ca 0.55 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 55.14 1ia9 s LEU 1649Cb -0.11 -3.21 0.92 0.00 0.03 0.00 0.00 46.19 43.83 1ia9 s LEU 1649CO 0.44 -0.01 1.50 -2.65 0.23 0.00 0.00 176.35 175.86 1ia9 n PRO 1650N 2.99 -0.07 0.01 1.29 -0.02 -1.26 0.52 135.00 138.46 1ia9 n PRO 1650Ca -0.02 1.39 -0.11 0.00 -2.02 0.00 0.00 63.50 62.74 1ia9 n PRO 1650Cb 0.50 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1ia9 n PRO 1650CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ia9 h GLU 1651N 0.00 -0.40 -0.70 -0.52 9.09 -1.97 0.98 114.58 121.07 1ia9 h GLU 1651Ca 0.66 0.03 0.13 0.00 0.05 0.00 0.00 59.36 60.22 1ia9 h GLU 1651Cb 1.53 0.09 -0.09 0.00 -1.65 0.00 0.00 28.75 28.63 1ia9 h GLU 1651CO -0.84 -0.27 0.25 0.28 0.05 0.00 0.00 179.01 178.48 1ia9 h VAL 1652N -0.41 0.67 0.78 -1.06 2.07 -0.26 -0.23 116.25 117.80 1ia9 h VAL 1652Ca 0.09 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ia9 h VAL 1652Cb 0.55 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ia9 h VAL 1652CO -0.34 0.07 -0.40 0.40 0.02 0.00 0.00 177.57 177.32 1ia9 h ILE 1653N 0.39 0.18 -0.98 4.57 5.03 -0.79 -1.25 117.51 124.66 1ia9 h ILE 1653Ca 0.37 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.44 1ia9 h ILE 1653Cb 0.55 0.18 -0.15 0.00 -3.03 0.00 0.00 36.82 34.36 1ia9 h ILE 1653CO -0.39 0.00 0.50 0.78 -0.68 0.00 0.00 178.15 178.36 1ia9 h ASN 1654N -1.08 0.39 -0.28 1.72 4.21 -0.05 0.66 115.58 121.13 1ia9 h ASN 1654Ca -0.10 0.20 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 1ia9 h ASN 1654Cb 0.84 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1ia9 h ASN 1654CO 0.15 -0.19 -0.00 0.74 -1.29 0.00 0.00 177.43 176.84 1ia9 h THR 1655N 0.25 1.26 -0.00 2.81 2.02 -0.58 -2.98 112.91 115.69 1ia9 h THR 1655Ca 0.72 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ia9 h THR 1655Cb 1.66 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1ia9 h THR 1655CO -0.65 0.30 -0.06 0.79 0.37 0.00 0.00 175.52 176.28 1ia9 n TRP 1656N -4.59 0.00 0.19 3.16 7.02 0.10 -3.33 117.44 119.99 1ia9 n TRP 1656Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 1ia9 n TRP 1656Cb 0.25 -0.39 0.58 0.00 -2.42 0.00 0.00 31.31 29.33 1ia9 n TRP 1656CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1ia9 h SER 1657N 0.05 0.13 0.00 -0.99 0.87 0.26 1.60 113.55 115.47 1ia9 h SER 1657Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ia9 h SER 1657Cb 0.43 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1ia9 h SER 1657CO 0.00 0.10 0.00 -1.20 -0.53 0.00 0.00 176.83 175.20 1ia9 n SER 1658N -4.52 0.29 0.00 6.23 7.64 -1.21 -2.33 113.62 119.73 1ia9 n SER 1658Ca -0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1ia9 n SER 1658Cb 0.08 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1ia9 n SER 1658CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ia9 n ILE 1659N -0.34 0.00 -3.52 0.44 2.08 0.38 -4.92 119.36 113.48 1ia9 n ILE 1659Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 1ia9 n ILE 1659Cb 0.07 -0.08 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1ia9 n ILE 1659CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1ia9 n TYR 1660N -1.65 3.50 -0.02 1.39 4.01 0.52 -4.92 117.16 119.99 1ia9 n TYR 1660Ca 0.00 -4.00 0.16 0.00 -0.16 0.00 0.00 57.90 53.90 1ia9 n TYR 1660Cb 0.04 -0.76 0.60 0.00 -0.31 0.00 0.00 39.34 38.90 1ia9 n TYR 1660CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ia9 h LYS 1661N 4.91 0.18 -6.30 -0.72 1.63 -1.67 -3.35 116.57 111.24 1ia9 h LYS 1661Ca 0.18 -0.01 -0.69 0.00 -0.85 0.00 0.00 60.65 59.28 1ia9 h LYS 1661Cb 0.70 -0.04 -0.26 0.00 -0.60 0.00 0.00 32.23 32.03 1ia9 h LYS 1661CO 0.88 0.12 -0.81 -1.21 -3.45 0.00 0.00 179.45 174.97 1ia9 s GLU 1662N -5.19 2.46 -1.34 1.90 2.02 -1.26 -4.73 118.70 112.55 1ia9 s GLU 1662Ca -0.06 -0.78 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 1ia9 s GLU 1662Cb 0.20 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 32.15 1ia9 s GLU 1662CO 0.73 0.55 0.46 -0.25 0.02 0.00 0.00 175.26 176.77 1ia9 n ASP 1663N 2.50 -1.81 0.02 -0.19 8.00 -1.26 -4.83 116.55 118.97 1ia9 n ASP 1663Ca -0.17 -1.12 -0.11 0.00 0.71 0.00 0.00 54.79 54.10 1ia9 n ASP 1663Cb 0.52 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.12 39.03 1ia9 n ASP 1663CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ia9 h THR 1664N -2.00 0.32 -0.12 -3.53 2.02 -1.85 -2.12 112.91 105.63 1ia9 h THR 1664Ca -0.66 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.56 1ia9 h THR 1664Cb 1.38 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1ia9 h THR 1664CO 0.59 0.00 -0.18 0.58 0.37 0.00 0.00 175.52 176.88 1ia9 h VAL 1665N -0.40 0.53 -0.57 3.16 2.07 -1.92 -1.28 116.25 117.85 1ia9 h VAL 1665Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1ia9 h VAL 1665Cb 0.53 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1ia9 h VAL 1665CO -0.32 0.00 0.26 0.25 0.02 0.00 0.00 177.57 177.78 1ia9 h LEU 1666N -0.24 0.34 -0.61 2.57 5.85 -1.87 -1.12 115.31 120.24 1ia9 h LEU 1666Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ia9 h LEU 1666Cb 0.37 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ia9 h LEU 1666CO -0.26 0.22 0.36 0.45 -0.34 0.00 0.00 178.44 178.87 1ia9 h HIS 1667N 0.49 0.81 -0.88 1.25 3.86 -0.93 0.83 115.15 120.59 1ia9 h HIS 1667Ca 0.27 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1ia9 h HIS 1667Cb 0.24 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 1ia9 h HIS 1667CO -0.12 0.56 0.50 -0.07 0.86 0.00 0.00 177.93 179.65 1ia9 h LEU 1668N 0.82 1.08 -0.39 2.43 3.38 -0.76 -1.75 115.31 120.12 1ia9 h LEU 1668Ca 0.22 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1ia9 h LEU 1668Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1ia9 h LEU 1668CO -0.04 0.85 0.05 0.00 0.09 0.00 0.00 178.44 179.39 1ia9 h LEU 1670N 0.50 0.65 -0.67 0.00 3.38 -0.40 -1.85 115.31 116.92 1ia9 h LEU 1670Ca 0.12 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1ia9 h LEU 1670Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1ia9 h LEU 1670CO 0.01 0.40 -0.17 0.03 0.09 0.00 0.00 178.44 178.80 1ia9 h ARG 1671N 0.78 0.86 -0.51 1.13 3.08 -1.04 -1.51 114.38 117.17 1ia9 h ARG 1671Ca 0.35 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1ia9 h ARG 1671Cb 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1ia9 h ARG 1671CO -0.21 0.96 0.20 0.93 -1.07 0.00 0.00 179.97 180.79 1ia9 h GLU 1672N 0.76 0.76 -0.32 0.04 4.39 -0.55 0.94 114.58 120.59 1ia9 h GLU 1672Ca 0.11 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 1ia9 h GLU 1672Cb 0.70 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1ia9 h GLU 1672CO 0.05 0.68 -0.49 0.82 -1.16 0.00 0.00 179.01 178.90 1ia9 h ILE 1673N 0.68 1.27 -0.64 3.13 2.04 -1.30 -2.10 117.51 120.60 1ia9 h ILE 1673Ca 0.17 -1.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.30 1ia9 h ILE 1673Cb 0.20 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1ia9 h ILE 1673CO -0.01 0.55 0.18 1.56 0.00 0.00 0.00 178.15 180.43 1ia9 h GLN 1674N 0.71 0.99 -0.56 2.37 4.20 -1.12 -1.38 115.11 120.32 1ia9 h GLN 1674Ca 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1ia9 h GLN 1674Cb 1.10 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1ia9 h GLN 1674CO 0.11 0.86 0.37 0.37 -0.67 0.00 0.00 178.83 179.87 1ia9 h GLN 1675N 0.95 0.74 -0.58 1.46 4.15 -0.61 -0.74 115.11 120.48 1ia9 h GLN 1675Ca 0.21 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.49 1ia9 h GLN 1675Cb 0.30 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1ia9 h GLN 1675CO -0.00 0.49 -0.02 0.37 -1.93 0.00 0.00 178.83 177.74 1ia9 h GLN 1676N 0.76 1.03 -0.83 1.69 4.15 -0.98 -2.46 115.11 118.46 1ia9 h GLN 1676Ca 0.20 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1ia9 h GLN 1676Cb -0.08 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 1ia9 h GLN 1676CO -0.04 1.01 0.50 -0.09 -1.93 0.00 0.00 178.83 178.28 1ia9 h ARG 1677N 0.93 1.12 -0.36 1.69 9.65 -0.88 0.00 114.38 126.53 1ia9 h ARG 1677Ca 0.16 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1ia9 h ARG 1677Cb 0.56 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1ia9 h ARG 1677CO 0.03 0.79 0.22 0.00 2.80 0.00 0.00 179.97 183.81 1ia9 h ALA 1678N 1.41 0.46 -0.92 2.80 0.00 -0.70 0.58 119.26 122.88 1ia9 h ALA 1678Ca 0.30 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ia9 h ALA 1678Cb -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1ia9 h ALA 1678CO -0.06 -0.12 0.61 0.00 0.00 0.00 0.00 179.25 179.69 1ia9 h ALA 1679N 1.15 1.18 -0.57 0.00 0.00 -0.94 -1.78 119.26 118.30 1ia9 h ALA 1679Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ia9 h ALA 1679Cb -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1ia9 h ALA 1679CO -0.06 0.54 0.27 1.96 0.00 0.00 0.00 179.25 181.97 1ia9 h GLN 1680N 1.23 0.83 -0.57 0.00 4.20 -0.13 -0.78 115.11 119.88 1ia9 h GLN 1680Ca 0.35 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1ia9 h GLN 1680Cb -0.11 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 1ia9 h GLN 1680CO -0.08 0.68 0.21 0.87 -0.67 0.00 0.00 178.83 179.83 1ia9 h LYS 1681N 0.78 0.84 -0.23 1.46 1.57 -0.41 0.49 116.57 121.06 1ia9 h LYS 1681Ca 0.20 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1ia9 h LYS 1681Cb 0.13 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ia9 h LYS 1681CO -0.02 0.70 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.00 1ia9 h LEU 1682N 0.82 0.69 -0.81 2.94 3.38 -0.93 -2.61 115.31 118.80 1ia9 h LEU 1682Ca 0.19 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1ia9 h LEU 1682Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ia9 h LEU 1682CO -0.01 1.06 -0.39 0.00 0.09 0.00 0.00 178.44 179.19 1ia9 h THR 1683N 0.50 1.30 -0.76 0.22 1.03 -0.66 -0.27 112.91 114.28 1ia9 h THR 1683Ca 0.02 -1.53 -0.03 0.00 -0.01 0.00 0.00 66.41 64.87 1ia9 h THR 1683Cb 1.03 1.59 -0.03 0.00 -1.07 0.00 0.00 68.15 69.67 1ia9 h THR 1683CO 0.10 0.47 0.38 0.15 -0.01 0.00 0.00 175.52 176.60 1ia9 h PHE 1684N 0.35 1.08 -0.32 0.00 3.04 -0.78 0.14 116.94 120.45 1ia9 h PHE 1684Ca 0.03 -0.05 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 1ia9 h PHE 1684Cb 0.85 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1ia9 h PHE 1684CO 0.03 0.79 -0.21 0.00 -2.02 0.00 0.00 178.31 176.90 1ia9 h ALA 1685N 1.19 0.46 0.28 2.41 0.00 -1.21 -2.51 119.26 119.89 1ia9 h ALA 1685Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ia9 h ALA 1685Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ia9 h ALA 1685CO -0.03 0.41 -0.23 0.35 0.00 0.00 0.00 179.25 179.75 1ia9 h PHE 1686N 0.48 -0.60 -0.51 0.00 3.57 -0.42 -1.05 116.94 118.41 1ia9 h PHE 1686Ca 0.07 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1ia9 h PHE 1686Cb 0.76 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1ia9 h PHE 1686CO 0.06 -0.34 0.16 -0.91 -2.23 0.00 0.00 178.31 175.05 1ia9 h ASN 1687N -0.52 0.69 -0.48 0.41 2.35 -0.79 0.18 115.58 117.42 1ia9 h ASN 1687Ca -0.02 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1ia9 h ASN 1687Cb 0.46 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1ia9 h ASN 1687CO -0.02 0.66 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.81 1ia9 h GLN 1688N 0.74 0.85 0.00 0.81 4.15 -1.20 -3.32 115.11 117.14 1ia9 h GLN 1688Ca 0.17 -0.28 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 1ia9 h GLN 1688Cb 0.22 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1ia9 h GLN 1688CO -0.01 0.90 -1.71 -1.33 -1.93 0.00 0.00 178.83 174.75 1ia9 n MET 1689N -4.33 0.64 -1.61 1.69 2.81 -0.42 -4.98 117.12 110.92 1ia9 n MET 1689Ca 0.01 0.03 -0.39 0.00 -1.81 0.00 0.00 57.70 55.54 1ia9 n MET 1689Cb 0.32 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 31.20 1ia9 n MET 1689CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1ia9 n LYS 1690N -2.63 1.08 -1.72 0.03 2.85 0.60 -4.89 118.16 113.48 1ia9 n LYS 1690Ca -0.11 0.40 -0.39 0.00 -1.05 0.00 0.00 58.31 57.16 1ia9 n LYS 1690Cb 0.77 -2.11 0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1ia9 n LYS 1690CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ia9 n PRO 1691N -0.51 1.78 0.21 -1.58 -0.02 -1.26 -4.87 135.00 128.74 1ia9 n PRO 1691Ca 0.12 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.42 1ia9 n PRO 1691Cb 0.44 -2.49 0.84 0.00 -0.02 0.00 0.00 33.50 32.27 1ia9 n PRO 1691CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ia9 h LYS 1692N 1.68 0.00 0.00 -0.52 1.79 -1.97 -1.22 116.57 116.33 1ia9 h LYS 1692Ca -0.50 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1ia9 h LYS 1692Cb 1.30 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1ia9 h LYS 1692CO 0.58 0.00 -0.04 0.66 -1.08 0.00 0.00 179.45 179.57 1ia9 h SER 1693N 0.00 0.00 -3.30 0.86 4.64 -1.99 -3.41 113.55 110.35 1ia9 h SER 1693Ca 0.09 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.82 1ia9 h SER 1693Cb 0.53 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 1ia9 h SER 1693CO -0.00 0.04 0.57 -0.63 -0.87 0.00 0.00 176.83 175.93 1ia9 s ILE 1694N -3.99 4.74 -1.50 0.95 1.01 -0.46 -4.95 121.20 117.00 1ia9 s ILE 1694Ca -0.02 1.56 0.27 0.00 0.00 0.00 0.00 60.65 62.46 1ia9 s ILE 1694Cb 0.12 -4.21 0.29 0.00 0.01 0.00 0.00 42.46 38.67 1ia9 s ILE 1694CO 0.51 -0.22 1.68 -0.81 0.00 0.00 0.00 174.94 176.11 1ia9 n PRO 1695N 6.27 0.55 -4.39 2.79 -0.04 -1.26 -4.94 135.00 133.97 1ia9 n PRO 1695Ca 0.07 -0.25 -0.28 0.00 -0.04 0.00 0.00 63.50 62.99 1ia9 n PRO 1695Cb 0.47 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1ia9 n PRO 1695CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ia9 s TYR 1696N -2.63 2.34 -0.16 0.54 2.02 -1.26 -5.12 117.35 113.08 1ia9 s TYR 1696Ca 0.23 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1ia9 s TYR 1696Cb 0.19 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.57 1ia9 s TYR 1696CO 0.54 0.40 -0.03 -1.12 -1.57 0.00 0.00 175.55 173.77 1ia9 s SER 1697N -2.29 2.70 0.40 2.29 0.01 -1.26 -5.03 113.70 110.51 1ia9 s SER 1697Ca 0.17 -0.62 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1ia9 s SER 1697Cb -0.09 -0.81 -0.09 0.00 0.21 0.00 0.00 66.02 65.23 1ia9 s SER 1697CO 0.08 -0.20 1.34 -2.84 0.41 0.00 0.00 173.24 172.03 1ia9 s PRO 1698N 1.71 4.01 -0.04 12.44 0.02 -1.26 -4.83 135.00 147.05 1ia9 s PRO 1698Ca 0.01 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1ia9 s PRO 1698Cb -0.15 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.58 1ia9 s PRO 1698CO -0.07 -0.49 0.08 0.50 -0.33 0.00 0.00 177.00 176.68 1ia9 s ARG 1699N -2.18 -0.01 -0.04 5.54 3.52 -0.51 -4.91 118.95 120.37 1ia9 s ARG 1699Ca 0.56 0.31 -0.05 0.00 -0.13 0.00 0.00 55.73 56.41 1ia9 s ARG 1699Cb -0.40 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 1ia9 s ARG 1699CO 0.52 -0.22 0.20 -0.06 -0.81 0.00 0.00 175.30 174.94 1ia9 s PHE 1700N 1.46 3.58 0.60 5.12 0.40 -1.26 0.73 117.98 128.62 1ia9 s PHE 1700Ca -0.05 0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 56.59 1ia9 s PHE 1700Cb -0.12 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1ia9 s PHE 1700CO -0.04 0.66 1.16 -0.51 0.70 0.00 0.00 175.22 177.19 1ia9 s LEU 1701N -1.60 3.60 0.22 -0.37 1.43 -0.52 -4.91 118.68 116.54 1ia9 s LEU 1701Ca 0.24 2.23 -0.29 0.00 -1.03 0.00 0.00 54.13 55.27 1ia9 s LEU 1701Cb -0.13 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.42 1ia9 s LEU 1701CO 0.14 -1.53 0.91 -0.70 0.23 0.00 0.00 176.35 175.39 1ia9 s GLU 1702N -3.53 4.80 -0.07 1.70 2.12 -1.26 -4.93 118.70 117.53 1ia9 s GLU 1702Ca 0.73 1.43 0.05 0.00 0.36 0.00 0.00 54.97 57.55 1ia9 s GLU 1702Cb -0.26 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1ia9 s GLU 1702CO 0.34 0.52 -0.24 0.08 -0.54 0.00 0.00 175.26 175.42 1ia9 s VAL 1703N -1.13 1.99 0.28 3.70 1.01 -1.26 -4.50 120.40 120.49 1ia9 s VAL 1703Ca 0.40 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1ia9 s VAL 1703Cb -0.25 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1ia9 s VAL 1703CO 0.31 0.55 -0.04 -0.36 0.00 0.00 0.00 175.10 175.56 1ia9 s PHE 1704N -0.01 2.58 -0.08 5.22 0.08 0.11 -4.70 117.98 121.18 1ia9 s PHE 1704Ca -0.08 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 1ia9 s PHE 1704Cb -0.15 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1ia9 s PHE 1704CO 0.05 0.61 0.25 -1.17 -0.10 0.00 0.00 175.22 174.86 1ia9 s LEU 1705N -3.65 4.41 0.01 -0.37 2.96 0.23 -0.49 118.68 121.77 1ia9 s LEU 1705Ca 0.32 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1ia9 s LEU 1705Cb -0.05 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1ia9 s LEU 1705CO 0.19 0.35 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.26 1ia9 s LEU 1706N -0.89 2.08 -0.14 -0.68 0.20 0.86 -0.46 118.68 119.65 1ia9 s LEU 1706Ca 0.18 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.77 1ia9 s LEU 1706Cb -0.14 -0.38 0.01 0.00 -0.43 0.00 0.00 46.19 45.25 1ia9 s LEU 1706CO 0.07 0.03 -0.19 -0.47 -0.29 0.00 0.00 176.35 175.51 1ia9 s TYR 1707N -0.48 2.47 -0.31 5.38 5.04 -0.57 -0.02 117.35 128.86 1ia9 s TYR 1707Ca 0.01 -1.29 -0.08 0.00 -2.44 0.00 0.00 57.07 53.26 1ia9 s TYR 1707Cb -0.05 -1.72 0.01 0.00 0.35 0.00 0.00 41.96 40.55 1ia9 s TYR 1707CO 0.00 -0.62 0.12 0.00 -1.34 0.00 0.00 175.55 173.71 1ia9 h HIS 1709N 8.30 0.20 -0.41 0.00 -0.00 -1.85 0.71 115.15 122.09 1ia9 h HIS 1709Ca -0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 1ia9 h HIS 1709Cb 1.13 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.46 1ia9 h HIS 1709CO 0.62 0.34 0.26 0.77 -0.00 0.00 0.00 177.93 179.91 1ia9 h SER 1710N 0.01 0.49 0.98 2.45 0.02 -1.93 -1.80 113.55 113.75 1ia9 h SER 1710Ca 0.04 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ia9 h SER 1710Cb 0.23 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1ia9 h SER 1710CO -0.00 0.38 -0.20 0.00 -1.14 0.00 0.00 176.83 175.86 1ia9 n ALA 1711N -2.22 2.68 -3.58 3.77 0.00 -1.19 -4.95 120.51 115.01 1ia9 n ALA 1711Ca 0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1ia9 n ALA 1711Cb 0.04 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1ia9 n ALA 1711CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ia9 n GLY 1712N 1.43 -0.47 3.61 0.00 0.00 0.23 -4.99 105.19 105.01 1ia9 n GLY 1712Ca 0.06 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1ia9 n GLY 1712CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ia9 s GLN 1713N -6.01 1.38 0.14 1.61 -2.07 -0.27 -4.98 119.66 109.46 1ia9 s GLN 1713Ca 0.36 -0.64 -0.08 0.00 -1.82 0.00 0.00 55.36 53.19 1ia9 s GLN 1713Cb -0.16 0.55 -0.06 0.00 -1.09 0.00 0.00 33.01 32.25 1ia9 s GLN 1713CO 0.74 -0.62 0.42 -1.58 -1.32 0.00 0.00 175.29 172.94 1ia9 s TRP 1714N -3.68 3.50 0.11 9.60 0.52 -1.26 -0.06 118.94 127.67 1ia9 s TRP 1714Ca 0.06 0.70 -0.06 0.00 0.02 0.00 0.00 56.10 56.83 1ia9 s TRP 1714Cb -0.03 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.16 1ia9 s TRP 1714CO -0.05 0.43 0.14 -0.06 0.02 0.00 0.00 176.95 177.44 1ia9 s PHE 1715N -1.60 0.45 -0.10 -1.98 0.08 0.97 -4.89 117.98 110.91 1ia9 s PHE 1715Ca 0.40 -0.87 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 1ia9 s PHE 1715Cb -0.13 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1ia9 s PHE 1715CO 0.22 -0.56 0.04 0.00 -0.10 0.00 0.00 175.22 174.82 1ia9 s ALA 1716N -3.94 3.43 0.00 5.36 0.00 -1.06 -0.10 121.76 125.45 1ia9 s ALA 1716Ca 0.13 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1ia9 s ALA 1716Cb 0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1ia9 s ALA 1716CO -0.05 0.56 -0.11 0.54 0.00 0.00 0.00 175.76 176.70 1ia9 s VAL 1717N -0.79 0.87 0.13 0.00 0.11 0.36 -1.09 120.40 119.99 1ia9 s VAL 1717Ca 0.12 -0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 1ia9 s VAL 1717Cb -0.12 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1ia9 s VAL 1717CO 0.03 0.15 0.30 -1.83 -3.33 0.00 0.00 175.10 170.42 1ia9 s GLU 1718N -0.50 1.04 0.54 1.54 -1.05 -0.72 -0.71 118.70 118.84 1ia9 s GLU 1718Ca 0.03 -0.95 -0.22 0.00 -0.15 0.00 0.00 54.97 53.68 1ia9 s GLU 1718Cb -0.05 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 1ia9 s GLU 1718CO -0.00 -0.38 1.36 -1.21 0.95 0.00 0.00 175.26 175.98 1ia9 s GLU 1719N -3.88 3.15 -0.14 -4.83 2.02 -1.26 0.40 118.70 114.15 1ia9 s GLU 1719Ca 0.08 2.23 -0.22 0.00 0.02 0.00 0.00 54.97 57.09 1ia9 s GLU 1719Cb 0.03 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1ia9 s GLU 1719CO -0.07 -1.18 0.66 0.00 0.02 0.00 0.00 175.26 174.68 1ia9 s MET 1721N 1.43 3.99 -0.19 0.00 1.00 -1.26 -4.88 119.30 119.40 1ia9 s MET 1721Ca 0.32 0.18 -0.07 0.00 0.00 0.00 0.00 55.69 56.12 1ia9 s MET 1721Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 34.83 31.32 1ia9 s MET 1721CO 0.13 0.49 0.06 0.95 0.00 0.00 0.00 175.02 176.65 1ia9 s THR 1722N -0.33 4.67 -5.00 2.05 -4.23 -1.26 -5.01 115.64 106.53 1ia9 s THR 1722Ca 0.19 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1ia9 s THR 1722Cb -0.14 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1ia9 s THR 1722CO 0.07 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1ia9 n GLY 1723N 3.68 0.30 3.60 3.99 0.00 -1.26 -5.04 105.19 110.46 1ia9 n GLY 1723Ca -0.17 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1ia9 n GLY 1723CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ia9 s GLU 1724N -1.47 3.58 -0.42 1.61 2.12 -1.26 -4.96 118.70 117.90 1ia9 s GLU 1724Ca 0.00 0.95 -0.26 0.00 0.36 0.00 0.00 54.97 56.01 1ia9 s GLU 1724Cb 0.00 -4.02 0.02 0.00 0.26 0.00 0.00 34.13 30.39 1ia9 s GLU 1724CO 0.00 -1.56 0.96 0.12 -0.54 0.00 0.00 175.26 174.25 1ia9 s PHE 1725N 5.42 2.99 0.38 5.30 2.19 -1.26 -4.43 117.98 128.56 1ia9 s PHE 1725Ca 0.61 0.64 0.04 0.00 0.33 0.00 0.00 56.93 58.56 1ia9 s PHE 1725Cb -0.14 -3.89 -0.06 0.00 -1.31 0.00 0.00 43.02 37.63 1ia9 s PHE 1725CO 0.32 -0.99 0.05 -0.98 1.83 0.00 0.00 175.22 175.45 1ia9 s ARG 1726N 3.73 1.83 -0.10 10.12 3.03 0.51 -4.92 118.95 133.15 1ia9 s ARG 1726Ca 0.40 -2.05 0.03 0.00 2.03 0.00 0.00 55.73 56.14 1ia9 s ARG 1726Cb -0.11 -1.12 0.00 0.00 -1.03 0.00 0.00 34.95 32.70 1ia9 s ARG 1726CO 0.23 -0.20 -0.22 0.21 -1.13 0.00 0.00 175.30 174.19 1ia9 s LYS 1727N -3.82 2.82 -0.11 3.89 2.20 -1.26 -0.92 119.74 122.54 1ia9 s LYS 1727Ca 0.31 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 1ia9 s LYS 1727Cb 0.08 -2.18 -0.27 0.00 -1.51 0.00 0.00 37.83 33.95 1ia9 s LYS 1727CO 0.15 0.12 0.45 1.88 -0.36 0.00 0.00 175.35 177.59 1ia9 h TYR 1728N 6.88 0.51 -4.24 4.03 -1.99 -1.09 -3.46 116.97 117.61 1ia9 h TYR 1728Ca -0.23 -0.37 -0.16 0.00 2.00 0.00 0.00 58.73 59.97 1ia9 h TYR 1728Cb 1.22 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 39.79 1ia9 h TYR 1728CO 0.47 1.72 -0.53 0.54 -0.00 0.00 0.00 178.16 180.36 1ia9 s ASN 1729N -7.10 0.21 0.17 3.88 2.20 -1.22 -1.15 114.94 111.94 1ia9 s ASN 1729Ca -0.21 -1.10 0.01 0.00 -0.94 0.00 0.00 52.86 50.62 1ia9 s ASN 1729Cb 0.06 0.35 -0.00 0.00 -2.00 0.00 0.00 41.25 39.66 1ia9 s ASN 1729CO 0.78 -0.79 0.05 -0.46 -2.94 0.00 0.00 177.10 173.73 1ia9 n ASN 1730N -0.14 1.38 0.00 3.54 0.23 -0.28 -3.35 115.26 116.64 1ia9 n ASN 1730Ca -0.06 -1.88 0.11 0.00 -0.53 0.00 0.00 54.58 52.22 1ia9 n ASN 1730Cb 0.63 0.36 0.64 0.00 -2.08 0.00 0.00 39.78 39.33 1ia9 n ASN 1730CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ia9 n ASN 1731N -1.69 0.00 -0.00 0.53 5.03 -1.26 -2.25 115.26 115.62 1ia9 n ASN 1731Ca -0.04 -0.67 0.10 0.00 0.87 0.00 0.00 54.58 54.85 1ia9 n ASN 1731Cb 0.25 -0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.89 1ia9 n ASN 1731CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1ia9 n ASN 1732N -1.00 0.98 0.00 6.41 3.02 -1.26 -1.38 115.26 122.03 1ia9 n ASN 1732Ca 0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1ia9 n ASN 1732Cb 0.07 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1ia9 n ASN 1732CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ia9 n GLY 1733N 1.50 0.62 3.84 7.41 0.00 -0.95 -4.48 105.19 113.12 1ia9 n GLY 1733Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ia9 n GLY 1733CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ia9 s ASP 1734N -2.93 6.76 0.22 1.61 1.01 -1.26 -3.88 116.67 118.19 1ia9 s ASP 1734Ca 0.00 1.46 0.02 0.00 0.71 0.00 0.00 52.55 54.74 1ia9 s ASP 1734Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1ia9 s ASP 1734CO 0.00 -0.38 0.05 -1.83 0.21 0.00 0.00 175.17 173.22 1ia9 s GLU 1735N -3.44 1.29 0.56 8.23 -1.05 -1.26 -1.13 118.70 121.90 1ia9 s GLU 1735Ca 0.57 -1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 53.69 1ia9 s GLU 1735Cb -0.10 -0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.29 1ia9 s GLU 1735CO 0.21 -0.21 0.84 0.96 0.95 0.00 0.00 175.26 178.02 1ia9 s ILE 1736N -3.67 3.58 -0.22 1.83 -4.36 -0.30 -4.98 121.20 113.09 1ia9 s ILE 1736Ca 0.31 -0.19 -0.19 0.00 -0.26 0.00 0.00 60.65 60.33 1ia9 s ILE 1736Cb 0.07 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.35 1ia9 s ILE 1736CO 0.09 -0.37 0.53 -0.63 0.24 0.00 0.00 174.94 174.80 1ia9 s ILE 1737N -2.88 5.08 0.40 8.37 1.01 -1.26 -5.03 121.20 126.89 1ia9 s ILE 1737Ca 0.53 0.96 -0.27 0.00 0.00 0.00 0.00 60.65 61.87 1ia9 s ILE 1737Cb -0.10 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 1ia9 s ILE 1737CO 0.43 0.14 1.42 -2.16 0.00 0.00 0.00 174.94 174.76 1ia9 s PRO 1738N 1.89 3.98 -0.01 2.79 0.04 -1.26 -4.92 135.00 137.50 1ia9 s PRO 1738Ca 0.24 2.42 0.11 0.00 0.04 0.00 0.00 61.00 63.80 1ia9 s PRO 1738Cb -0.15 -2.84 -0.17 0.00 0.04 0.00 0.00 34.50 31.37 1ia9 s PRO 1738CO 0.09 -0.58 0.25 0.25 0.04 0.00 0.00 177.00 177.05 1ia9 n THR 1739N 0.23 0.00 -4.09 1.26 -2.24 -1.26 -4.99 114.28 103.18 1ia9 n THR 1739Ca 0.03 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1ia9 n THR 1739Cb 0.41 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1ia9 n THR 1739CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ia9 s ASN 1740N -3.25 0.86 0.17 3.42 2.20 -1.26 -5.07 114.94 112.02 1ia9 s ASN 1740Ca -0.04 -1.46 -0.15 0.00 -0.94 0.00 0.00 52.86 50.28 1ia9 s ASN 1740Cb 0.07 0.65 0.13 0.00 -2.00 0.00 0.00 41.25 40.10 1ia9 s ASN 1740CO 0.46 -1.27 1.72 0.74 -2.94 0.00 0.00 177.10 175.81 1ia9 h THR 1741N 2.13 0.78 -0.20 0.54 2.02 -1.99 -1.25 112.91 114.94 1ia9 h THR 1741Ca -0.28 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 66.87 1ia9 h THR 1741Cb 1.24 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1ia9 h THR 1741CO 0.39 0.04 -0.16 0.25 0.37 0.00 0.00 175.52 176.41 1ia9 h LEU 1742N 0.22 -0.50 -0.83 2.58 5.85 -1.99 -0.79 115.31 119.85 1ia9 h LEU 1742Ca 0.21 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.94 1ia9 h LEU 1742Cb 0.26 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ia9 h LEU 1742CO -0.27 -0.20 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.22 1ia9 h GLU 1743N -0.16 0.79 -0.76 1.25 5.08 -1.92 -1.69 114.58 117.17 1ia9 h GLU 1743Ca 0.12 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1ia9 h GLU 1743Cb 0.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1ia9 h GLU 1743CO -0.30 0.85 0.34 0.93 -1.00 0.00 0.00 179.01 179.83 1ia9 h GLU 1744N 0.72 1.09 -0.27 2.33 5.08 -0.72 -1.27 114.58 121.54 1ia9 h GLU 1744Ca 0.13 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1ia9 h GLU 1744Cb 0.56 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ia9 h GLU 1744CO 0.03 0.86 -0.51 0.82 -1.00 0.00 0.00 179.01 179.21 1ia9 h ILE 1745N 1.08 1.29 -0.01 3.13 2.04 -0.81 -1.37 117.51 122.87 1ia9 h ILE 1745Ca 0.26 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 1ia9 h ILE 1745Cb 0.14 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1ia9 h ILE 1745CO -0.03 0.55 0.01 0.24 0.00 0.00 0.00 178.15 178.92 1ia9 h MET 1746N 0.60 0.01 -0.85 2.37 2.86 -1.01 -0.56 114.93 118.35 1ia9 h MET 1746Ca 0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1ia9 h MET 1746Cb 1.09 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1ia9 h MET 1746CO 0.11 0.08 0.50 -0.07 1.06 0.00 0.00 176.91 178.59 1ia9 h LEU 1747N -0.06 1.03 -1.12 1.22 3.38 -1.19 -2.16 115.31 116.41 1ia9 h LEU 1747Ca 0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1ia9 h LEU 1747Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ia9 h LEU 1747CO -0.00 0.80 -0.32 0.00 0.09 0.00 0.00 178.44 179.00 1ia9 h ALA 1748N 1.27 1.26 -0.74 1.53 0.00 -1.10 -3.00 119.26 118.48 1ia9 h ALA 1748Ca 0.30 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ia9 h ALA 1748Cb -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ia9 h ALA 1748CO -0.06 0.50 0.48 0.35 0.00 0.00 0.00 179.25 180.52 1ia9 h PHE 1749N 0.18 0.89 -0.72 0.00 3.57 -0.42 0.97 116.94 121.41 1ia9 h PHE 1749Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ia9 h PHE 1749Cb 0.66 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1ia9 h PHE 1749CO 0.01 0.52 0.39 0.77 -2.23 0.00 0.00 178.31 177.77 1ia9 h SER 1750N 0.94 0.91 -0.40 0.41 0.02 -1.44 -1.01 113.55 112.97 1ia9 h SER 1750Ca 0.29 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1ia9 h SER 1750Cb -0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1ia9 h SER 1750CO -0.10 0.75 0.11 -0.74 -1.14 0.00 0.00 176.83 175.71 1ia9 h HIS 1751N 1.00 0.66 -0.80 3.45 -0.00 -1.40 -2.85 115.15 115.20 1ia9 h HIS 1751Ca 0.25 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1ia9 h HIS 1751Cb 0.05 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 1ia9 h HIS 1751CO -0.00 0.62 0.53 2.35 -0.00 0.00 0.00 177.93 181.44 1ia9 h TRP 1752N 0.51 1.00 -0.64 5.26 7.01 -0.41 -2.39 115.95 126.29 1ia9 h TRP 1752Ca 0.13 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 1ia9 h TRP 1752Cb 0.28 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1ia9 h TRP 1752CO 0.01 0.61 0.19 1.79 -2.79 0.00 0.00 178.44 178.26 1ia9 h THR 1753N 1.06 1.24 -0.29 2.65 1.35 -0.96 0.28 112.91 118.24 1ia9 h THR 1753Ca 0.30 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1ia9 h THR 1753Cb -0.08 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 1ia9 h THR 1753CO -0.07 0.32 0.10 0.22 -0.25 0.00 0.00 175.52 175.84 1ia9 h TYR 1754N 0.94 0.46 0.05 4.73 3.20 -1.35 -1.97 116.97 123.03 1ia9 h TYR 1754Ca 0.21 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1ia9 h TYR 1754Cb 0.28 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ia9 h TYR 1754CO 0.02 0.47 -0.02 0.93 -1.64 0.00 0.00 178.16 177.92 1ia9 h GLU 1755N 0.31 -0.06 -0.78 1.82 4.39 -1.17 0.49 114.58 119.57 1ia9 h GLU 1755Ca 0.09 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.88 1ia9 h GLU 1755Cb 0.22 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1ia9 h GLU 1755CO -0.00 0.32 0.51 -0.92 -1.16 0.00 0.00 179.01 177.76 1ia9 h TYR 1756N -0.46 0.80 -0.34 4.33 3.20 -0.44 0.50 116.97 124.55 1ia9 h TYR 1756Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ia9 h TYR 1756Cb 0.42 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ia9 h TYR 1756CO 0.06 0.40 0.00 0.25 -1.64 0.00 0.00 178.16 177.23 1ia9 n THR 1757N -4.50 1.63 -3.72 1.81 -2.24 -0.74 -4.89 114.28 101.63 1ia9 n THR 1757Ca 0.12 -0.83 -0.28 0.00 -2.27 0.00 0.00 64.05 60.79 1ia9 n THR 1757Cb 0.28 -0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.16 1ia9 n THR 1757CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ia9 n ARG 1758N 0.38 -4.28 -0.81 -0.78 3.00 0.17 -1.49 116.66 112.85 1ia9 n ARG 1758Ca 0.16 0.53 0.00 0.00 -0.01 0.00 0.00 57.85 58.54 1ia9 n ARG 1758Cb 0.81 -5.33 0.00 0.00 0.00 0.00 0.00 32.46 27.94 1ia9 n ARG 1758CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ia9 n GLY 1759N -1.44 0.86 0.11 -0.13 0.00 0.17 -4.94 105.19 99.82 1ia9 n GLY 1759Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1ia9 n GLY 1759CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ia9 h GLU 1760N 3.12 0.28 -5.62 1.61 5.08 -1.47 -3.43 114.58 114.15 1ia9 h GLU 1760Ca 0.00 -0.47 -0.51 0.00 -1.00 0.00 0.00 59.36 57.38 1ia9 h GLU 1760Cb 0.00 0.18 -0.27 0.00 0.50 0.00 0.00 28.75 29.16 1ia9 h GLU 1760CO 0.00 1.20 -0.82 -0.51 -1.00 0.00 0.00 179.01 177.89 1ia9 s LEU 1761N -7.13 2.12 -0.06 1.33 1.43 -1.26 -1.14 118.68 113.98 1ia9 s LEU 1761Ca -0.05 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1ia9 s LEU 1761Cb 0.07 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1ia9 s LEU 1761CO 0.88 0.13 -0.07 -0.22 0.23 0.00 0.00 176.35 177.30 1ia9 s LEU 1762N -0.89 1.33 -0.35 1.79 2.96 -0.34 -3.20 118.68 119.97 1ia9 s LEU 1762Ca 0.05 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1ia9 s LEU 1762Cb -0.08 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 1ia9 s LEU 1762CO 0.01 -0.05 0.27 -0.69 -1.32 0.00 0.00 176.35 174.57 1ia9 s VAL 1763N 1.04 5.26 0.48 1.68 1.01 -1.26 -0.68 120.40 127.92 1ia9 s VAL 1763Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1ia9 s VAL 1763Cb -0.14 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1ia9 s VAL 1763CO -0.00 -0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.30 1ia9 s LEU 1764N 1.79 2.34 -0.89 3.92 1.43 -0.12 -4.56 118.68 122.58 1ia9 s LEU 1764Ca 0.07 -1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 51.52 1ia9 s LEU 1764Cb -0.17 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1ia9 s LEU 1764CO 0.11 -0.80 0.77 -0.67 0.23 0.00 0.00 176.35 175.99 1ia9 n ASP 1765N -1.22 -3.95 -4.67 2.29 2.03 -1.22 -0.48 116.55 109.34 1ia9 n ASP 1765Ca -0.15 -0.39 -0.42 0.00 0.52 0.00 0.00 54.79 54.34 1ia9 n ASP 1765Cb 0.67 -3.64 -0.03 0.00 -0.72 0.00 0.00 41.12 37.40 1ia9 n ASP 1765CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ia9 s LEU 1766N -5.22 4.26 -0.03 -2.67 1.43 -1.21 -4.32 118.68 110.92 1ia9 s LEU 1766Ca 0.26 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 1ia9 s LEU 1766Cb -0.11 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1ia9 s LEU 1766CO 0.50 -0.75 0.64 0.00 0.23 0.00 0.00 176.35 176.97 1ia9 s GLN 1767N 3.10 1.04 0.00 1.70 -2.07 -1.26 -0.39 119.66 121.79 1ia9 s GLN 1767Ca 0.61 0.16 0.00 0.00 -1.82 0.00 0.00 55.36 54.30 1ia9 s GLN 1767Cb -0.27 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1ia9 s GLN 1767CO 0.21 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1ia9 n GLY 1768N 0.84 -0.51 3.03 2.60 0.00 -0.10 -1.23 105.19 109.82 1ia9 n GLY 1768Ca -0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1ia9 n GLY 1768CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ia9 s VAL 1769N -4.00 1.73 0.00 1.61 1.01 -0.58 -0.37 120.40 119.80 1ia9 s VAL 1769Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1ia9 s VAL 1769Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1ia9 s VAL 1769CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1ia9 n GLY 1770N 4.68 3.62 0.20 4.51 0.00 -1.26 -1.94 105.19 115.01 1ia9 n GLY 1770Ca -0.17 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1ia9 n GLY 1770CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ia9 h GLU 1771N 0.00 0.00 -6.16 1.61 5.08 -1.94 -3.44 114.58 109.73 1ia9 h GLU 1771Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1ia9 h GLU 1771Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1ia9 h GLU 1771CO 0.00 0.19 0.59 -0.80 -1.00 0.00 0.00 179.01 177.99 1ia9 s ASN 1772N -6.24 6.52 0.32 1.42 -0.87 -0.82 -1.43 114.94 113.85 1ia9 s ASN 1772Ca 0.05 0.17 0.08 0.00 -1.57 0.00 0.00 52.86 51.59 1ia9 s ASN 1772Cb 0.07 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.25 38.81 1ia9 s ASN 1772CO 0.68 -1.04 0.23 -0.76 -2.57 0.00 0.00 177.10 173.64 1ia9 s LEU 1773N 3.75 3.53 0.16 0.60 1.43 0.22 -1.53 118.68 126.84 1ia9 s LEU 1773Ca 0.37 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 1ia9 s LEU 1773Cb -0.10 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.07 1ia9 s LEU 1773CO 0.26 -0.28 0.54 0.28 0.23 0.00 0.00 176.35 177.38 1ia9 s THR 1774N -2.31 0.02 -1.32 5.49 -1.32 -0.36 -1.44 115.64 114.40 1ia9 s THR 1774Ca 0.39 -0.33 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1ia9 s THR 1774Cb -0.05 -1.19 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1ia9 s THR 1774CO 0.25 -0.10 0.72 -0.67 -2.21 0.00 0.00 174.62 172.60 1ia9 n ASP 1775N -0.34 -1.41 -4.74 8.08 2.03 -1.26 -4.39 116.55 114.51 1ia9 n ASP 1775Ca -0.15 -0.82 -0.29 0.00 0.52 0.00 0.00 54.79 54.05 1ia9 n ASP 1775Cb 0.64 -4.04 0.11 0.00 -0.72 0.00 0.00 41.12 37.11 1ia9 n ASP 1775CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ia9 s PRO 1776N -6.03 1.68 -0.27 -0.67 0.04 -1.26 -4.89 135.00 123.60 1ia9 s PRO 1776Ca 0.05 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1ia9 s PRO 1776Cb -0.02 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ia9 s PRO 1776CO 0.81 -1.78 -0.05 -1.12 0.04 0.00 0.00 177.00 174.91 1ia9 s SER 1777N -4.63 4.51 -0.43 6.66 0.01 0.37 -4.89 113.70 115.30 1ia9 s SER 1777Ca 0.64 -1.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 1ia9 s SER 1777Cb -0.10 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.50 1ia9 s SER 1777CO 0.50 -0.18 0.48 -0.69 0.41 0.00 0.00 173.24 173.76 1ia9 s VAL 1778N 1.26 5.03 -0.18 3.43 1.01 -1.26 -0.94 120.40 128.76 1ia9 s VAL 1778Ca -0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1ia9 s VAL 1778Cb -0.18 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1ia9 s VAL 1778CO -0.03 -0.48 0.08 -0.63 0.00 0.00 0.00 175.10 174.04 1ia9 s ILE 1779N 2.27 4.98 -0.81 2.22 1.01 0.14 -0.53 121.20 130.48 1ia9 s ILE 1779Ca 0.14 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1ia9 s ILE 1779Cb -0.17 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.14 1ia9 s ILE 1779CO 0.14 0.48 1.16 -0.75 0.00 0.00 0.00 174.94 175.97 1ia9 s LYS 1780N 0.18 3.34 0.52 2.79 2.20 0.23 -1.20 119.74 127.80 1ia9 s LYS 1780Ca 0.06 -1.01 0.37 0.00 -0.36 0.00 0.00 55.97 55.04 1ia9 s LYS 1780Cb -0.12 -4.62 1.54 0.00 -1.51 0.00 0.00 37.83 33.13 1ia9 s LYS 1780CO -0.00 -1.95 1.74 0.00 -0.36 0.00 0.00 175.35 174.78 1ia9 h ALA 1781N 9.52 3.17 -0.00 3.13 0.00 -1.39 -2.71 119.26 130.97 1ia9 h ALA 1781Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ia9 h ALA 1781Cb 1.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ia9 h ALA 1781CO 1.23 -1.58 -0.51 0.39 0.00 0.00 0.00 179.25 178.78 1ia9 n GLU 1782N -4.21 2.83 -1.28 0.00 1.02 -1.26 -5.02 120.64 112.71 1ia9 n GLU 1782Ca 0.30 -0.13 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1ia9 n GLU 1782Cb 1.39 -1.09 0.11 0.00 -0.02 0.00 0.00 31.44 31.83 1ia9 n GLU 1782CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ia9 n GLU 1783N -1.09 0.43 0.00 3.49 4.71 -1.03 -4.95 120.64 122.21 1ia9 n GLU 1783Ca 0.03 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1ia9 n GLU 1783Cb 0.20 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.25 1ia9 n GLU 1783CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ia9 n LYS 1784N -2.59 3.50 -1.76 3.49 5.02 -1.26 -4.90 118.16 119.66 1ia9 n LYS 1784Ca 0.14 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.03 1ia9 n LYS 1784Cb 0.50 -0.35 0.03 0.00 -0.02 0.00 0.00 35.03 35.19 1ia9 n LYS 1784CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ia9 s ARG 1785N -0.61 3.46 0.00 1.97 0.52 -1.26 -4.93 118.95 118.10 1ia9 s ARG 1785Ca 0.00 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 1ia9 s ARG 1785Cb 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1ia9 s ARG 1785CO 0.00 -0.99 0.54 0.45 0.02 0.00 0.00 175.30 175.32 1ia9 n SER 1786N -0.52 0.00 -2.62 0.23 2.88 -1.26 -2.78 113.62 109.55 1ia9 n SER 1786Ca 0.07 0.54 -0.32 0.00 -1.33 0.00 0.00 58.87 57.83 1ia9 n SER 1786Cb 0.43 -0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.73 1ia9 n SER 1786CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ia9 n ASP 1788N -0.53 1.19 0.07 0.00 8.00 -1.12 -4.80 116.55 119.37 1ia9 n ASP 1788Ca 0.46 -1.56 -0.18 0.00 0.71 0.00 0.00 54.79 54.21 1ia9 n ASP 1788Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 1ia9 n ASP 1788CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ia9 h MET 1789N 0.00 0.53 -6.18 -1.24 2.86 -1.80 -3.45 114.93 105.65 1ia9 h MET 1789Ca 0.00 -0.65 -0.69 0.00 -2.06 0.00 0.00 59.70 56.30 1ia9 h MET 1789Cb 0.63 0.20 -0.23 0.00 0.06 0.00 0.00 31.60 32.26 1ia9 h MET 1789CO 0.00 1.26 -0.76 0.08 1.06 0.00 0.00 176.91 178.55 1ia9 s VAL 1790N -3.11 3.12 0.24 -2.22 1.01 -1.26 0.77 120.40 118.96 1ia9 s VAL 1790Ca -0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1ia9 s VAL 1790Cb 0.07 -2.24 0.21 0.00 0.00 0.00 0.00 36.38 34.42 1ia9 s VAL 1790CO 0.90 0.58 1.77 -0.26 0.00 0.00 0.00 175.10 178.10 1ia9 h PHE 1791N 5.50 0.68 -2.12 5.22 -1.00 -1.12 -3.42 116.94 120.68 1ia9 h PHE 1791Ca -0.44 0.03 -0.58 0.00 2.81 0.00 0.00 57.97 59.79 1ia9 h PHE 1791Cb 1.16 -0.19 -0.11 0.00 3.61 0.00 0.00 35.95 40.42 1ia9 h PHE 1791CO 0.50 0.20 -0.67 0.20 -1.61 0.00 0.00 178.31 176.93 1ia9 s GLY 1792N -3.35 1.86 -0.22 -1.45 0.00 -1.26 -4.77 107.32 98.14 1ia9 s GLY 1792Ca -0.12 -1.83 -0.34 0.00 0.00 0.00 0.00 44.72 42.43 1ia9 s GLY 1792CO 0.77 -1.86 2.05 -1.05 0.00 0.00 0.00 173.10 173.01 1ia9 n PRO 1793N -0.82 1.69 -3.71 2.90 -0.02 -1.26 -4.95 135.00 128.84 1ia9 n PRO 1793Ca -0.05 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1ia9 n PRO 1793Cb 0.60 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1ia9 n PRO 1793CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ia9 s ALA 1794N 6.06 -1.02 -0.48 3.55 0.00 -1.26 -4.99 121.76 123.62 1ia9 s ALA 1794Ca 1.01 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1ia9 s ALA 1794Cb -0.70 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1ia9 s ALA 1794CO 0.48 -0.28 0.44 -0.80 0.00 0.00 0.00 175.76 175.60 1ia9 s ASN 1795N -1.16 6.16 0.22 0.00 -0.87 -1.26 -4.94 114.94 113.09 1ia9 s ASN 1795Ca -0.12 -1.27 -0.23 0.00 -1.57 0.00 0.00 52.86 49.67 1ia9 s ASN 1795Cb -0.04 -2.20 -0.08 0.00 -0.02 0.00 0.00 41.25 38.90 1ia9 s ASN 1795CO 0.05 -0.70 0.78 -0.76 -2.57 0.00 0.00 177.10 173.91 1ia9 s LEU 1796N 1.82 4.45 0.00 0.60 1.43 -1.26 -4.87 118.68 120.85 1ia9 s LEU 1796Ca 0.06 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.65 1ia9 s LEU 1796Cb -0.24 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.60 1ia9 s LEU 1796CO 0.07 0.09 0.52 0.61 0.23 0.00 0.00 176.35 177.88 1ia9 n GLY 1797N 1.07 -2.61 3.56 -3.19 0.00 -0.48 -4.86 105.19 98.68 1ia9 n GLY 1797Ca -0.03 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1ia9 n GLY 1797CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ia9 s GLU 1798N -4.18 2.76 -0.88 1.61 8.01 -1.26 -3.67 118.70 121.09 1ia9 s GLU 1798Ca 0.34 0.97 -0.05 0.00 0.01 0.00 0.00 54.97 56.24 1ia9 s GLU 1798Cb -0.03 -4.36 -0.01 0.00 -4.31 0.00 0.00 34.13 25.42 1ia9 s GLU 1798CO 0.26 -2.55 0.72 -3.47 0.01 0.00 0.00 175.26 170.22 1ia9 n ASP 1799N 12.49 -6.43 -0.29 -0.19 -0.08 -1.26 -4.75 116.55 116.04 1ia9 n ASP 1799Ca 0.24 -0.56 -0.05 0.00 -1.51 0.00 0.00 54.79 52.90 1ia9 n ASP 1799Cb 0.51 -3.98 0.07 0.00 2.34 0.00 0.00 41.12 40.05 1ia9 n ASP 1799CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ia9 h ALA 1800N 0.69 1.00 -0.53 -1.67 0.00 -1.81 -1.66 119.26 115.29 1ia9 h ALA 1800Ca -0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1ia9 h ALA 1800Cb 1.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ia9 h ALA 1800CO 0.37 0.51 0.13 0.82 0.00 0.00 0.00 179.25 181.08 1ia9 h ILE 1801N 1.08 1.22 0.26 0.00 5.03 -1.91 0.12 117.51 123.32 1ia9 h ILE 1801Ca 0.28 -0.80 -0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1ia9 h ILE 1801Cb 0.03 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1ia9 h ILE 1801CO -0.04 0.30 -0.12 0.50 -0.68 0.00 0.00 178.15 178.10 1ia9 h LYS 1802N 0.78 -0.33 -0.38 2.37 3.64 -1.82 -1.40 116.57 119.43 1ia9 h LYS 1802Ca 0.17 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1ia9 h LYS 1802Cb 0.28 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1ia9 h LYS 1802CO -0.00 -0.12 0.07 -0.91 -2.27 0.00 0.00 179.45 176.22 1ia9 h ASN 1803N -0.49 0.00 -0.05 4.20 2.35 -0.98 -1.53 115.58 119.08 1ia9 h ASN 1803Ca -0.04 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1ia9 h ASN 1803Cb 0.37 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1ia9 h ASN 1803CO 0.06 0.04 -0.12 0.15 -1.65 0.00 0.00 177.43 175.91 1ia9 h PHE 1804N 0.20 -0.30 -0.88 1.19 3.57 -0.62 0.56 116.94 120.67 1ia9 h PHE 1804Ca 0.18 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1ia9 h PHE 1804Cb 0.21 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1ia9 h PHE 1804CO -0.20 -0.18 0.57 0.00 -2.23 0.00 0.00 178.31 176.28 1ia9 h ARG 1805N -0.17 0.97 0.05 1.11 3.08 -0.98 -0.12 114.38 118.31 1ia9 h ARG 1805Ca 0.06 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1ia9 h ARG 1805Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ia9 h ARG 1805CO -0.16 0.64 -1.04 0.00 -1.07 0.00 0.00 179.97 178.35 1ia9 h ALA 1806N 1.52 0.33 0.00 0.04 0.00 -0.35 -3.35 119.26 117.45 1ia9 h ALA 1806Ca 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ia9 h ALA 1806Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ia9 h ALA 1806CO -0.14 1.01 -1.84 1.63 0.00 0.00 0.00 179.25 179.91 1ia9 n LYS 1807N -3.54 0.60 -1.92 0.00 5.02 0.19 -4.98 118.16 113.53 1ia9 n LYS 1807Ca -0.05 -0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.67 1ia9 n LYS 1807Cb 0.92 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 1ia9 n LYS 1807CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ia9 s HIS 1808N -3.35 2.81 -0.19 2.13 2.46 -0.08 -4.91 115.29 114.16 1ia9 s HIS 1808Ca -0.06 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.64 1ia9 s HIS 1808Cb 0.13 -3.90 0.02 0.00 -0.13 0.00 0.00 32.58 28.70 1ia9 s HIS 1808CO 0.83 -2.69 -0.18 -1.01 -2.47 0.00 0.00 174.74 169.22 1ia9 s HIS 1809N -0.82 2.81 0.51 3.88 3.76 -1.26 -4.98 115.29 119.18 1ia9 s HIS 1809Ca 0.54 -1.56 -0.22 0.00 -0.15 0.00 0.00 55.06 53.67 1ia9 s HIS 1809Cb -0.44 -1.94 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 1ia9 s HIS 1809CO 0.55 -0.78 1.21 0.00 -0.85 0.00 0.00 174.74 174.88 1ia9 n ASN 1811N -0.87 1.75 0.29 0.00 0.23 -1.26 -4.99 115.26 110.40 1ia9 n ASN 1811Ca 0.09 -1.24 0.16 0.00 -0.53 0.00 0.00 54.58 53.07 1ia9 n ASN 1811Cb 0.48 0.06 0.93 0.00 -2.08 0.00 0.00 39.78 39.17 1ia9 n ASN 1811CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ia9 h SER 1812N 0.15 0.00 0.22 0.53 4.64 -1.96 -1.91 113.55 115.22 1ia9 h SER 1812Ca -0.04 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.95 1ia9 h SER 1812Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1ia9 h SER 1812CO 0.07 0.00 -1.54 0.00 -0.87 0.00 0.00 176.83 174.49 1ia9 h ARG 1815N 0.36 0.65 0.00 0.00 3.08 -1.51 -1.43 114.38 115.53 1ia9 h ARG 1815Ca 0.26 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ia9 h ARG 1815Cb 0.29 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ia9 h ARG 1815CO -0.27 0.90 -0.07 0.87 -1.07 0.00 0.00 179.97 180.33 1ia9 h LYS 1816N 0.55 0.00 -0.14 0.04 1.57 -0.42 -0.33 116.57 117.84 1ia9 h LYS 1816Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ia9 h LYS 1816Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ia9 h LYS 1816CO 0.07 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 1ia9 n LEU 1817N -4.07 2.37 -1.50 2.94 4.77 0.41 -4.79 117.00 117.14 1ia9 n LEU 1817Ca -0.03 -0.91 -0.17 0.00 -0.03 0.00 0.00 56.01 54.88 1ia9 n LEU 1817Cb 0.16 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1ia9 n LEU 1817CO 0.32 0.45 -0.18 0.29 -1.33 0.00 0.00 177.39 176.94 1ia9 n LYS 1818N 0.81 -1.23 -2.40 3.23 4.76 -0.14 -4.97 118.16 118.23 1ia9 n LYS 1818Ca 0.17 1.00 -0.40 0.00 -2.87 0.00 0.00 58.31 56.21 1ia9 n LYS 1818Cb 0.47 -5.28 -0.04 0.00 -1.84 0.00 0.00 35.03 28.34 1ia9 n LYS 1818CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ia9 s LEU 1819N -4.16 4.43 0.46 -0.35 1.43 -0.62 -5.01 118.68 114.85 1ia9 s LEU 1819Ca 0.00 2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.34 1ia9 s LEU 1819Cb 0.00 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 1ia9 s LEU 1819CO 0.00 -0.32 0.79 -2.16 0.23 0.00 0.00 176.35 174.89 1ia9 s PRO 1820N -1.75 3.62 0.24 1.29 0.04 -1.26 -4.76 135.00 132.43 1ia9 s PRO 1820Ca 0.49 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1ia9 s PRO 1820Cb -0.32 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 1ia9 s PRO 1820CO 0.41 -0.16 1.40 0.34 0.04 0.00 0.00 177.00 179.02 1ia9 s ASP 1821N -3.79 6.72 0.26 6.66 2.15 -1.26 -4.94 116.67 122.47 1ia9 s ASP 1821Ca 0.49 2.60 -0.04 0.00 0.43 0.00 0.00 52.55 56.03 1ia9 s ASP 1821Cb -0.10 -2.62 0.31 0.00 -0.30 0.00 0.00 42.92 40.21 1ia9 s ASP 1821CO 0.41 -0.65 1.81 -0.07 -0.17 0.00 0.00 175.17 176.51 1ia9 h LEU 1822N 5.01 0.90 -1.02 -1.34 3.38 -1.94 -2.71 115.31 117.58 1ia9 h LEU 1822Ca -0.46 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ia9 h LEU 1822Cb 1.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ia9 h LEU 1822CO 0.77 0.84 0.00 0.29 0.09 0.00 0.00 178.44 180.43 1ia9 n LYS 1823N -4.28 0.11 -0.38 1.13 5.02 -1.25 -4.73 118.16 113.78 1ia9 n LYS 1823Ca 0.05 0.58 -0.29 0.00 -2.02 0.00 0.00 58.31 56.63 1ia9 n LYS 1823Cb 0.21 -1.84 0.28 0.00 -0.02 0.00 0.00 35.03 33.65 1ia9 n LYS 1823CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ia9 s ARG 1824N -3.40 -2.09 0.40 1.97 1.70 -1.03 -4.97 118.95 111.53 1ia9 s ARG 1824Ca -0.01 0.54 -0.17 0.00 -0.47 0.00 0.00 55.73 55.63 1ia9 s ARG 1824Cb 0.05 -1.44 -0.09 0.00 -0.57 0.00 0.00 34.95 32.90 1ia9 s ARG 1824CO 0.18 -4.43 0.85 1.21 -1.08 0.00 0.00 175.30 172.04 1ia9 s ASN 1825N -2.67 6.77 0.14 -2.89 2.47 -1.26 -4.99 114.94 112.51 1ia9 s ASN 1825Ca 0.69 1.44 -0.03 0.00 0.42 0.00 0.00 52.86 55.38 1ia9 s ASN 1825Cb -0.21 -2.44 -0.07 0.00 -1.45 0.00 0.00 41.25 37.08 1ia9 s ASN 1825CO 0.63 -0.35 1.33 0.44 -3.72 0.00 0.00 177.10 175.43 1ia9 h ASP 1826N 1.79 0.49 0.00 -4.21 3.32 -1.93 -3.38 116.42 112.50 1ia9 h ASP 1826Ca -0.48 -0.39 -0.27 0.00 0.02 0.00 0.00 57.03 55.91 1ia9 h ASP 1826Cb 1.18 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1ia9 h ASP 1826CO 0.63 1.18 -2.03 -1.22 -1.72 0.00 0.00 179.24 176.08 1ia9 n TYR 1827N -3.74 0.00 1.49 4.55 4.01 -1.26 -5.24 117.16 116.97 1ia9 n TYR 1827Ca -0.06 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.82 1ia9 n TYR 1827Cb 0.82 -0.71 0.51 0.00 -0.31 0.00 0.00 39.34 39.65 1ia9 n TYR 1827CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81