#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0j s ILE 1483N 0.00 3.46 -0.52 0.52 -4.36 -1.26 -4.61 121.20 114.43 3h0j s ILE 1483Ca 0.00 0.48 -0.27 0.00 -0.26 0.00 0.00 60.65 60.60 3h0j s ILE 1483Cb 0.00 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.72 3h0j s ILE 1483CO 0.00 -0.62 0.65 0.00 0.24 0.00 0.00 174.94 175.21 3h0j n ALA 1484N -3.44 -2.52 -2.42 2.27 0.00 -1.26 -5.04 120.51 108.09 3h0j n ALA 1484Ca 0.09 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 3h0j n ALA 1484Cb 0.53 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.61 3h0j n ALA 1484CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h0j s THR 1485N -2.01 2.22 0.21 0.00 -4.23 -1.26 -5.05 115.64 105.51 3h0j s THR 1485Ca 0.28 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 3h0j s THR 1485Cb -0.04 -2.00 0.19 0.00 1.34 0.00 0.00 72.50 71.99 3h0j s THR 1485CO 0.85 -0.04 1.66 1.55 -0.54 0.00 0.00 174.62 178.11 3h0j h PRO 1486N 3.58 0.11 -5.67 3.99 0.13 -2.00 -3.43 132.00 128.70 3h0j h PRO 1486Ca -0.48 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 3h0j h PRO 1486Cb 1.19 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 3h0j h PRO 1486CO 0.44 0.07 -0.62 0.71 -0.23 0.00 0.00 178.00 178.36 3h0j s TYR 1487N -6.16 2.41 0.40 1.56 1.51 -1.26 -5.12 117.35 110.69 3h0j s TYR 1487Ca -0.14 -0.66 -0.25 0.00 -1.01 0.00 0.00 57.07 55.01 3h0j s TYR 1487Cb 0.18 -1.61 -0.11 0.00 -0.11 0.00 0.00 41.96 40.31 3h0j s TYR 1487CO 0.73 0.43 1.02 -2.30 -1.11 0.00 0.00 175.55 174.32 3h0j n PRO 1488N -0.88 1.38 -2.69 -1.71 -0.02 -1.26 -4.93 135.00 124.89 3h0j n PRO 1488Ca -0.05 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3h0j n PRO 1488Cb 0.66 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 3h0j n PRO 1488CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h0j s VAL 1489N -1.24 4.05 0.40 -1.45 1.01 -1.26 -4.91 120.40 117.01 3h0j s VAL 1489Ca 0.62 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.91 3h0j s VAL 1489Cb -0.58 -4.76 0.28 0.00 0.00 0.00 0.00 36.38 31.33 3h0j s VAL 1489CO 0.58 -1.54 2.02 0.11 0.00 0.00 0.00 175.10 176.27 3h0j h LYS 1490N 9.70 0.60 0.00 2.72 1.79 -1.96 -0.26 116.57 129.16 3h0j h LYS 1490Ca -0.27 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3h0j h LYS 1490Cb 1.06 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3h0j h LYS 1490CO 1.20 0.40 0.00 0.39 -1.08 0.00 0.00 179.45 180.36 3h0j n GLU 1491N -4.47 0.11 -0.12 3.15 1.02 -1.26 -1.97 120.64 117.10 3h0j n GLU 1491Ca 0.06 0.15 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 3h0j n GLU 1491Cb 0.14 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 3h0j n GLU 1491CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3h0j n TRP 1492N -1.41 0.00 -0.11 -0.32 -0.00 -0.18 -3.30 117.44 112.12 3h0j n TRP 1492Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.54 3h0j n TRP 1492Cb 0.19 -0.89 0.21 0.00 -0.00 0.00 0.00 31.31 30.82 3h0j n TRP 1492CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3h0j h LEU 1493N -0.09 0.73 -6.85 5.87 3.38 -1.32 -3.30 115.31 113.72 3h0j h LEU 1493Ca -0.53 -0.13 -0.61 0.00 0.09 0.00 0.00 57.88 56.70 3h0j h LEU 1493Cb 1.78 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 41.94 3h0j h LEU 1493CO -0.11 0.73 -0.74 -1.10 0.09 0.00 0.00 178.44 177.30 3h0j s GLN 1494N -5.18 1.61 0.54 1.13 1.11 -0.83 -4.97 119.66 113.07 3h0j s GLN 1494Ca -0.09 -2.52 0.26 0.00 0.01 0.00 0.00 55.36 53.02 3h0j s GLN 1494Cb 0.15 -2.48 1.44 0.00 -1.01 0.00 0.00 33.01 31.11 3h0j s GLN 1494CO 0.79 -1.27 1.78 -1.00 0.01 0.00 0.00 175.29 175.61 3h0j h PRO 1495N 5.95 0.00 0.00 2.91 0.13 -1.63 0.15 132.00 139.51 3h0j h PRO 1495Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 3h0j h PRO 1495Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 3h0j h PRO 1495CO 0.54 0.00 -0.40 1.57 -0.23 0.00 0.00 178.00 179.48 3h0j h LYS 1496N 0.00 0.00 0.00 0.86 -0.00 -1.93 -2.06 116.57 113.44 3h0j h LYS 1496Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.59 3h0j h LYS 1496Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.72 3h0j h LYS 1496CO 0.00 0.40 -0.30 -0.09 -0.00 0.00 0.00 179.45 179.46 3h0j h ARG 1497N 0.00 0.00 0.01 0.07 2.43 -0.99 -1.31 114.38 114.60 3h0j h ARG 1497Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 3h0j h ARG 1497Cb 0.79 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3h0j h ARG 1497CO 0.05 0.30 -1.02 -0.92 -1.51 0.00 0.00 179.97 176.87 3h0j h TYR 1498N 0.00 0.83 0.02 2.20 -0.00 -1.49 -2.57 116.97 115.97 3h0j h TYR 1498Ca -0.00 -0.46 -0.00 0.00 -0.00 0.00 0.00 58.73 58.26 3h0j h TYR 1498Cb 0.57 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 3h0j h TYR 1498CO 0.00 1.30 -0.01 -0.22 -0.00 0.00 0.00 178.16 179.23 3h0j h LYS 1499N 0.30 -0.03 -0.46 1.82 3.64 -1.14 0.88 116.57 121.58 3h0j h LYS 1499Ca -0.11 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3h0j h LYS 1499Cb 1.67 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.40 3h0j h LYS 1499CO 0.19 0.08 -0.22 0.00 -2.27 0.00 0.00 179.45 177.23 3h0j h ALA 1500N 0.84 0.11 -0.46 5.00 0.00 -1.27 -0.10 119.26 123.39 3h0j h ALA 1500Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h0j h ALA 1500Cb 0.12 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h0j h ALA 1500CO 0.00 -0.57 0.30 0.45 0.00 0.00 0.00 179.25 179.44 3h0j h HIS 1501N -0.12 0.59 -0.19 0.00 3.86 -1.12 -1.04 115.15 117.12 3h0j h HIS 1501Ca 0.22 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.50 3h0j h HIS 1501Cb 0.46 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3h0j h HIS 1501CO -0.48 0.37 0.17 -0.07 0.86 0.00 0.00 177.93 178.79 3h0j h LEU 1502N 0.63 0.00 -0.70 2.43 3.38 0.74 0.30 115.31 122.09 3h0j h LEU 1502Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3h0j h LEU 1502Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h0j h LEU 1502CO -0.04 0.00 0.00 0.80 0.09 0.00 0.00 178.44 179.29 3h0j n MET 1503N -4.04 1.45 -1.83 1.13 1.56 -0.21 -4.92 117.12 110.28 3h0j n MET 1503Ca 0.02 -0.69 -0.04 0.00 -0.27 0.00 0.00 57.70 56.72 3h0j n MET 1503Cb 0.30 -1.32 -0.01 0.00 2.15 0.00 0.00 33.22 34.35 3h0j n MET 1503CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3h0j n GLY 1504N 0.97 0.33 3.20 -5.12 0.00 0.11 -4.98 105.19 99.69 3h0j n GLY 1504Ca 0.14 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3h0j n GLY 1504CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h0j s THR 1505N -2.19 0.14 0.43 2.61 -1.32 -1.07 -4.86 115.64 109.39 3h0j s THR 1505Ca 0.00 -1.43 -0.24 0.00 -1.21 0.00 0.00 61.69 58.81 3h0j s THR 1505Cb 0.00 -1.54 -0.08 0.00 -1.51 0.00 0.00 72.50 69.37 3h0j s THR 1505CO 0.00 -0.64 1.19 -0.89 -2.21 0.00 0.00 174.62 172.06 3h0j s THR 1506N -3.91 3.05 0.13 5.08 2.01 -1.26 -3.24 115.64 117.50 3h0j s THR 1506Ca 0.10 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3h0j s THR 1506Cb 0.06 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 3h0j s THR 1506CO -0.07 0.04 1.21 -0.47 -0.69 0.00 0.00 174.62 174.64 3h0j s TYR 1507N -1.46 3.42 0.29 4.92 6.04 -1.26 -4.89 117.35 124.41 3h0j s TYR 1507Ca 0.60 1.34 -0.00 0.00 0.04 0.00 0.00 57.07 59.05 3h0j s TYR 1507Cb -0.31 -3.44 0.67 0.00 -1.04 0.00 0.00 41.96 37.84 3h0j s TYR 1507CO 0.38 -1.31 1.60 -0.24 -1.54 0.00 0.00 175.55 174.44 3h0j h VAL 1508N 4.08 0.15 0.00 3.14 3.04 -1.93 0.79 116.25 125.51 3h0j h VAL 1508Ca -0.43 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3h0j h VAL 1508Cb 1.21 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3h0j h VAL 1508CO 0.78 0.01 0.00 -1.22 -1.01 0.00 0.00 177.57 176.13 3h0j n TYR 1509N -5.41 0.63 1.43 3.17 4.02 -1.26 -2.15 117.16 117.59 3h0j n TYR 1509Ca 0.21 0.26 0.14 0.00 -0.01 0.00 0.00 57.90 58.50 3h0j n TYR 1509Cb 0.68 -0.93 0.48 0.00 -0.02 0.00 0.00 39.34 39.55 3h0j n TYR 1509CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3h0j n ASP 1510N -2.09 1.45 -0.11 7.72 10.43 0.27 -4.26 116.55 129.95 3h0j n ASP 1510Ca 0.02 -1.39 -0.13 0.00 2.57 0.00 0.00 54.79 55.86 3h0j n ASP 1510Cb 0.17 0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.14 3h0j n ASP 1510CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3h0j h PHE 1511N 2.18 1.11 -0.20 1.24 -1.00 -1.50 -2.75 116.94 116.02 3h0j h PHE 1511Ca 0.00 -0.34 0.06 0.00 2.81 0.00 0.00 57.97 60.50 3h0j h PHE 1511Cb 0.52 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3h0j h PHE 1511CO 0.00 1.17 0.17 -1.35 -1.61 0.00 0.00 178.31 176.69 3h0j h PRO 1512N 0.73 0.00 -0.38 1.51 0.11 -1.79 -0.24 132.00 131.94 3h0j h PRO 1512Ca 0.06 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.06 3h0j h PRO 1512Cb 0.99 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3h0j h PRO 1512CO 0.10 0.00 -0.21 1.49 -0.21 0.00 0.00 178.00 179.17 3h0j h GLU 1513N 0.00 0.74 -0.29 1.05 4.57 -1.77 -1.67 114.58 117.21 3h0j h GLU 1513Ca 0.09 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 3h0j h GLU 1513Cb 0.43 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3h0j h GLU 1513CO -0.00 0.89 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.52 3h0j h LEU 1514N 0.65 0.49 -0.36 1.64 3.38 -0.99 -1.51 115.31 118.61 3h0j h LEU 1514Ca 0.09 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3h0j h LEU 1514Cb 0.70 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3h0j h LEU 1514CO 0.05 0.65 -0.41 -0.26 0.09 0.00 0.00 178.44 178.56 3h0j h PHE 1515N 0.47 1.12 -0.32 1.13 -1.00 -1.07 0.25 116.94 117.51 3h0j h PHE 1515Ca 0.08 -0.35 -0.06 0.00 2.81 0.00 0.00 57.97 60.46 3h0j h PHE 1515Cb 0.51 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 3h0j h PHE 1515CO 0.02 1.18 -0.06 -0.09 -1.61 0.00 0.00 178.31 177.75 3h0j h ARG 1516N 0.74 0.52 -0.05 1.51 2.43 -1.11 0.28 114.38 118.70 3h0j h ARG 1516Ca 0.05 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3h0j h ARG 1516Cb 1.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3h0j h ARG 1516CO 0.10 0.59 -0.20 1.96 -1.51 0.00 0.00 179.97 180.91 3h0j h GLN 1517N 0.49 0.23 -0.23 0.20 4.20 -1.08 -2.19 115.11 116.73 3h0j h GLN 1517Ca 0.10 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3h0j h GLN 1517Cb 0.41 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3h0j h GLN 1517CO 0.02 0.81 0.01 0.00 -0.67 0.00 0.00 178.83 179.00 3h0j h ALA 1518N 0.41 1.60 -0.34 3.87 0.00 -0.17 -1.74 119.26 122.89 3h0j h ALA 1518Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3h0j h ALA 1518Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h0j h ALA 1518CO 0.04 0.30 -0.13 0.77 0.00 0.00 0.00 179.25 180.23 3h0j h SER 1519N 0.32 0.71 -0.42 0.00 0.02 -0.42 -2.05 113.55 111.71 3h0j h SER 1519Ca 0.08 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3h0j h SER 1519Cb 0.20 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3h0j h SER 1519CO 0.00 0.94 0.25 -1.28 -1.14 0.00 0.00 176.83 175.61 3h0j h SER 1520N 0.47 0.41 -0.69 3.07 0.87 -0.85 -2.15 113.55 114.69 3h0j h SER 1520Ca 0.08 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3h0j h SER 1520Cb 0.66 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 3h0j h SER 1520CO 0.04 0.30 0.41 0.28 -0.53 0.00 0.00 176.83 177.33 3h0j h SER 1521N 0.51 0.64 -0.55 6.23 0.02 -1.23 -0.20 113.55 118.97 3h0j h SER 1521Ca 0.17 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 3h0j h SER 1521Cb -0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3h0j h SER 1521CO -0.07 0.43 0.41 -0.61 -1.14 0.00 0.00 176.83 175.85 3h0j h GLN 1522N 0.77 0.00 0.15 3.45 4.15 -0.73 -0.46 115.11 122.43 3h0j h GLN 1522Ca 0.29 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.44 3h0j h GLN 1522Cb 0.11 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.81 3h0j h GLN 1522CO -0.15 0.00 -1.35 -1.49 -1.93 0.00 0.00 178.83 173.91 3h0j h TRP 1523N 0.00 0.57 -0.78 3.99 4.06 -0.66 -3.23 115.95 119.90 3h0j h TRP 1523Ca 0.26 -0.41 0.10 0.00 2.06 0.00 0.00 58.89 60.90 3h0j h TRP 1523Cb 1.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 29.14 3h0j h TRP 1523CO 0.00 1.53 0.42 -0.22 -3.56 0.00 0.00 178.44 176.61 3h0j h LYS 1524N -0.21 0.68 0.00 0.49 3.64 -0.02 -0.13 116.57 121.03 3h0j h LYS 1524Ca -0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3h0j h LYS 1524Cb 1.83 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 3h0j h LYS 1524CO 0.12 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 177.84 3h0j n ASN 1525N -4.80 0.31 -0.12 4.20 4.13 -0.30 -2.71 115.26 115.96 3h0j n ASN 1525Ca 0.13 0.57 -0.18 0.00 1.68 0.00 0.00 54.58 56.77 3h0j n ASN 1525Cb 0.29 -0.63 -0.11 0.00 -1.54 0.00 0.00 39.78 37.79 3h0j n ASN 1525CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3h0j n PHE 1526N -1.83 0.00 -3.39 3.10 -0.00 -0.27 -4.89 117.46 110.19 3h0j n PHE 1526Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.36 3h0j n PHE 1526Cb 0.23 -0.92 -0.09 0.00 -0.00 0.00 0.00 39.48 38.70 3h0j n PHE 1526CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3h0j s SER 1527N -6.46 0.85 0.51 -2.13 0.15 -0.22 -5.00 113.70 101.40 3h0j s SER 1527Ca -0.33 -0.19 0.16 0.00 0.70 0.00 0.00 55.95 56.29 3h0j s SER 1527Cb 0.09 0.81 1.25 0.00 -1.71 0.00 0.00 66.02 66.46 3h0j s SER 1527CO 0.54 -0.33 2.12 0.00 1.20 0.00 0.00 173.24 176.77 3h0j h ALA 1528N 8.23 1.91 -0.12 5.45 0.00 -1.70 -3.13 119.26 129.90 3h0j h ALA 1528Ca -0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3h0j h ALA 1528Cb 1.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h0j h ALA 1528CO 0.29 0.05 -0.20 -0.44 0.00 0.00 0.00 179.25 178.94 3h0j h ASP 1529N 0.00 0.38 -1.10 0.00 3.45 -1.91 -3.47 116.42 113.78 3h0j h ASP 1529Ca -0.00 -0.54 -0.78 0.00 0.43 0.00 0.00 57.03 56.14 3h0j h ASP 1529Cb 0.07 -0.11 0.05 0.00 -0.56 0.00 0.00 39.33 38.78 3h0j h ASP 1529CO 0.00 0.85 0.14 1.33 -1.57 0.00 0.00 179.24 179.99 3h0j n VAL 1530N -4.51 0.00 -3.37 -1.35 0.24 -1.18 -4.92 118.33 103.23 3h0j n VAL 1530Ca -0.07 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.85 3h0j n VAL 1530Cb 0.41 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 3h0j n VAL 1530CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3h0j s LYS 1531N 0.17 4.19 -0.16 7.34 1.02 -1.26 -4.97 119.74 126.07 3h0j s LYS 1531Ca 0.91 0.24 -0.05 0.00 0.02 0.00 0.00 55.97 57.09 3h0j s LYS 1531Cb -1.23 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 32.52 3h0j s LYS 1531CO 0.56 -0.02 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.46 3h0j s LEU 1532N 1.25 3.45 0.21 3.17 1.02 -1.26 -5.11 118.68 121.41 3h0j s LEU 1532Ca 0.20 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.32 3h0j s LEU 1532Cb -0.15 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 3h0j s LEU 1532CO 0.08 0.18 0.37 -0.89 0.02 0.00 0.00 176.35 176.12 3h0j s THR 1533N 0.29 5.24 -1.83 5.49 2.01 -1.26 -4.97 115.64 120.62 3h0j s THR 1533Ca -0.01 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.51 3h0j s THR 1533Cb -0.13 -3.77 0.26 0.00 0.01 0.00 0.00 72.50 68.86 3h0j s THR 1533CO 0.02 -0.22 1.11 0.47 -0.69 0.00 0.00 174.62 175.31 3h0j n ASP 1534N -0.90 0.00 -0.68 3.53 8.00 -1.26 -1.99 116.55 123.25 3h0j n ASP 1534Ca -0.06 -0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.32 3h0j n ASP 1534Cb 0.55 -0.09 0.19 0.00 -0.02 0.00 0.00 41.12 41.75 3h0j n ASP 1534CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h0j n ASP 1535N -1.09 1.99 -0.31 -2.24 5.75 -1.26 -3.39 116.55 116.00 3h0j n ASP 1535Ca 0.07 -1.97 0.13 0.00 -0.01 0.00 0.00 54.79 53.01 3h0j n ASP 1535Cb 0.05 -0.24 0.40 0.00 -1.03 0.00 0.00 41.12 40.30 3h0j n ASP 1535CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 3h0j n PHE 1536N 0.58 0.00 -3.71 2.11 1.16 -0.84 -4.79 117.46 111.96 3h0j n PHE 1536Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.56 3h0j n PHE 1536Cb 0.32 -0.09 -0.15 0.00 -1.61 0.00 0.00 39.48 37.95 3h0j n PHE 1536CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 3h0j s PHE 1537N -2.38 -0.15 -0.02 2.97 2.19 -1.22 -1.84 117.98 117.53 3h0j s PHE 1537Ca 0.27 0.50 0.04 0.00 0.33 0.00 0.00 56.93 58.07 3h0j s PHE 1537Cb 0.20 -0.18 -0.01 0.00 -1.31 0.00 0.00 43.02 41.72 3h0j s PHE 1537CO 0.48 -0.20 -0.14 0.42 1.83 0.00 0.00 175.22 177.60 3h0j s ILE 1538N 1.66 1.15 -0.05 3.12 1.01 -0.59 -5.01 121.20 122.48 3h0j s ILE 1538Ca -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3h0j s ILE 1538Cb -0.12 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3h0j s ILE 1538CO -0.06 0.33 -0.04 -0.55 0.00 0.00 0.00 174.94 174.63 3h0j s SER 1539N -0.14 1.19 -0.11 3.58 0.15 -1.26 -2.02 113.70 115.09 3h0j s SER 1539Ca 0.02 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.55 3h0j s SER 1539Cb -0.08 -0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 3h0j s SER 1539CO 0.00 -0.08 -0.15 0.20 1.20 0.00 0.00 173.24 174.41 3h0j s ASN 1540N 1.17 2.38 0.51 5.45 0.01 -0.76 -4.97 114.94 118.73 3h0j s ASN 1540Ca -0.07 -0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 51.46 3h0j s ASN 1540Cb -0.14 -1.06 -0.07 0.00 0.41 0.00 0.00 41.25 40.40 3h0j s ASN 1540CO -0.01 0.01 1.14 -0.70 -1.51 0.00 0.00 177.10 176.03 3h0j s GLU 1541N 0.99 3.52 -0.09 -0.60 2.12 -1.20 -0.51 118.70 122.93 3h0j s GLU 1541Ca -0.07 1.67 0.01 0.00 0.36 0.00 0.00 54.97 56.94 3h0j s GLU 1541Cb -0.15 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 3h0j s GLU 1541CO -0.01 -0.72 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.36 3h0j s LEU 1542N -3.49 2.89 0.05 2.70 1.43 0.36 -1.75 118.68 120.87 3h0j s LEU 1542Ca 0.69 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3h0j s LEU 1542Cb -0.25 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 3h0j s LEU 1542CO 0.30 0.27 0.16 0.27 0.23 0.00 0.00 176.35 177.58 3h0j s ILE 1543N -0.28 0.12 0.34 -0.59 -4.36 -0.72 -4.27 121.20 111.45 3h0j s ILE 1543Ca 0.03 -1.03 -0.26 0.00 -0.26 0.00 0.00 60.65 59.13 3h0j s ILE 1543Cb -0.13 -1.01 -0.09 0.00 1.25 0.00 0.00 42.46 42.48 3h0j s ILE 1543CO 0.03 -0.57 1.02 -1.61 0.24 0.00 0.00 174.94 174.05 3h0j s GLU 1544N -2.87 4.43 0.35 0.37 2.02 -1.26 -1.12 118.70 120.62 3h0j s GLU 1544Ca -0.03 1.52 0.02 0.00 0.02 0.00 0.00 54.97 56.49 3h0j s GLU 1544Cb 0.00 -2.79 0.07 0.00 0.10 0.00 0.00 34.13 31.51 3h0j s GLU 1544CO -0.06 0.09 0.48 -0.40 0.02 0.00 0.00 175.26 175.40 3h0j n ASP 1545N 0.46 0.82 0.30 -0.19 3.85 0.91 -4.84 116.55 117.86 3h0j n ASP 1545Ca 0.02 -1.65 0.16 0.00 -0.71 0.00 0.00 54.79 52.61 3h0j n ASP 1545Cb 0.49 -0.30 0.82 0.00 -1.35 0.00 0.00 41.12 40.78 3h0j n ASP 1545CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3h0j h GLU 1546N 0.00 0.00 -0.00 0.11 5.08 -1.97 0.48 114.58 118.28 3h0j h GLU 1546Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3h0j h GLU 1546Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3h0j h GLU 1546CO 0.19 0.00 -0.71 0.09 -1.00 0.00 0.00 179.01 177.58 3h0j n ASN 1547N -3.04 1.13 0.00 1.42 5.03 -1.26 -4.94 115.26 113.60 3h0j n ASN 1547Ca -0.01 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.49 3h0j n ASN 1547Cb 0.41 0.65 0.00 0.00 -1.02 0.00 0.00 39.78 39.82 3h0j n ASN 1547CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h0j n GLY 1548N 1.47 0.75 3.82 7.41 0.00 0.17 -5.05 105.19 113.75 3h0j n GLY 1548Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3h0j n GLY 1548CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0j s GLU 1549N -0.50 4.23 0.11 1.61 0.41 -1.26 -4.63 118.70 118.68 3h0j s GLU 1549Ca 0.00 0.81 -0.30 0.00 -0.41 0.00 0.00 54.97 55.07 3h0j s GLU 1549Cb 0.00 -2.98 -0.06 0.00 -1.78 0.00 0.00 34.13 29.30 3h0j s GLU 1549CO 0.00 0.47 1.06 -0.51 -0.49 0.00 0.00 175.26 175.79 3h0j s LEU 1550N -1.75 4.45 0.05 1.80 1.43 -1.26 -0.06 118.68 123.34 3h0j s LEU 1550Ca 0.39 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 3h0j s LEU 1550Cb -0.17 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3h0j s LEU 1550CO 0.21 -0.23 -0.03 0.42 0.23 0.00 0.00 176.35 176.95 3h0j s THR 1551N 0.23 0.25 0.17 5.49 -4.23 -0.27 -4.93 115.64 112.35 3h0j s THR 1551Ca 0.51 -1.69 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 3h0j s THR 1551Cb -0.26 -1.36 -0.08 0.00 1.34 0.00 0.00 72.50 72.14 3h0j s THR 1551CO 0.31 -0.92 0.69 -1.61 -0.54 0.00 0.00 174.62 172.56 3h0j s GLU 1552N -3.56 4.28 0.10 3.99 2.02 -1.26 -1.76 118.70 122.51 3h0j s GLU 1552Ca 0.04 0.86 -0.05 0.00 0.02 0.00 0.00 54.97 55.84 3h0j s GLU 1552Cb 0.05 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 3h0j s GLU 1552CO -0.08 0.49 0.12 0.14 0.02 0.00 0.00 175.26 175.95 3h0j s VAL 1553N -1.36 0.14 -0.29 2.63 -7.23 -0.71 -4.97 120.40 108.62 3h0j s VAL 1553Ca 0.38 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3h0j s VAL 1553Cb -0.18 -1.61 0.09 0.00 0.56 0.00 0.00 36.38 35.24 3h0j s VAL 1553CO 0.21 -0.65 0.05 -0.70 -0.31 0.00 0.00 175.10 173.71 3h0j s GLU 1554N -3.93 0.99 0.20 4.82 2.56 -1.26 -3.21 118.70 118.88 3h0j s GLU 1554Ca 0.11 -1.10 0.01 0.00 0.00 0.00 0.00 54.97 54.00 3h0j s GLU 1554Cb 0.06 -2.31 -0.05 0.00 2.00 0.00 0.00 34.13 33.84 3h0j s GLU 1554CO -0.06 -0.86 0.04 -0.98 -0.56 0.00 0.00 175.26 172.83 3h0j s ARG 1555N 1.50 1.22 0.20 4.30 1.70 -1.26 -5.13 118.95 121.47 3h0j s ARG 1555Ca 0.06 -1.62 -0.30 0.00 -0.47 0.00 0.00 55.73 53.40 3h0j s ARG 1555Cb -0.18 -0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 33.88 3h0j s ARG 1555CO -0.17 -0.20 1.20 -1.21 -1.08 0.00 0.00 175.30 173.84 3h0j s GLU 1556N -3.97 4.49 0.19 3.89 0.41 -1.26 -4.95 118.70 117.51 3h0j s GLU 1556Ca 0.29 1.89 -0.31 0.00 -0.41 0.00 0.00 54.97 56.43 3h0j s GLU 1556Cb 0.07 -3.23 -0.16 0.00 -1.78 0.00 0.00 34.13 29.03 3h0j s GLU 1556CO 0.08 -0.08 0.98 -2.30 -0.49 0.00 0.00 175.26 173.45 3h0j n PRO 1557N 2.36 0.88 -0.40 0.39 -0.02 -1.26 -2.80 135.00 134.16 3h0j n PRO 1557Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3h0j n PRO 1557Cb 0.44 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3h0j n PRO 1557CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0j n GLY 1558N 1.76 0.80 0.06 -1.23 0.00 -1.26 -4.94 105.19 100.38 3h0j n GLY 1558Ca 0.15 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3h0j n GLY 1558CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0j n ALA 1559N -0.81 2.99 -1.68 4.61 0.00 -1.12 -4.92 120.51 119.58 3h0j n ALA 1559Ca 0.00 -0.27 -0.51 0.00 0.00 0.00 0.00 53.44 52.66 3h0j n ALA 1559Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 3h0j n ALA 1559CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3h0j n ASN 1560N -2.07 2.88 0.09 0.00 2.04 -1.26 -4.86 115.26 112.08 3h0j n ASN 1560Ca 0.03 1.04 0.12 0.00 -0.44 0.00 0.00 54.58 55.33 3h0j n ASN 1560Cb 0.43 -1.29 0.28 0.00 -2.53 0.00 0.00 39.78 36.68 3h0j n ASN 1560CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3h0j n ALA 1561N 5.34 2.59 -2.51 -2.53 0.00 -1.26 -4.86 120.51 117.28 3h0j n ALA 1561Ca 0.22 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 3h0j n ALA 1561Cb 0.23 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 3h0j n ALA 1561CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3h0j s ILE 1562N -3.14 2.31 -0.36 0.00 -4.36 -1.26 -5.03 121.20 109.37 3h0j s ILE 1562Ca 0.08 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 3h0j s ILE 1562Cb 0.13 -2.94 0.32 0.00 1.25 0.00 0.00 42.46 41.21 3h0j s ILE 1562CO 0.66 -0.06 1.28 0.61 0.24 0.00 0.00 174.94 177.68 3h0j n GLY 1563N -1.08 2.78 2.85 6.27 0.00 -1.26 -4.81 105.19 109.93 3h0j n GLY 1563Ca -0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 3h0j n GLY 1563CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h0j s MET 1564N -1.56 0.22 0.15 1.61 -2.45 -1.26 -1.37 119.30 114.64 3h0j s MET 1564Ca 0.25 0.02 0.06 0.00 -1.25 0.00 0.00 55.69 54.77 3h0j s MET 1564Cb 0.20 -0.33 -0.04 0.00 1.25 0.00 0.00 34.83 35.91 3h0j s MET 1564CO 0.06 -0.06 -0.13 0.08 1.05 0.00 0.00 175.02 176.02 3h0j s VAL 1565N 0.57 1.38 0.02 10.11 1.01 -0.34 -4.96 120.40 128.19 3h0j s VAL 1565Ca -0.05 -1.94 -0.13 0.00 0.00 0.00 0.00 61.98 59.86 3h0j s VAL 1565Cb -0.08 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.57 3h0j s VAL 1565CO -0.01 -0.56 0.28 0.00 0.00 0.00 0.00 175.10 174.81 3h0j s ALA 1566N -2.68 -0.64 0.01 5.51 0.00 -1.26 -0.84 121.76 121.86 3h0j s ALA 1566Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3h0j s ALA 1566Cb -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3h0j s ALA 1566CO 0.03 -0.35 -0.02 -0.06 0.00 0.00 0.00 175.76 175.36 3h0j s PHE 1567N -2.13 0.20 -0.15 0.00 0.40 -0.45 -0.49 117.98 115.37 3h0j s PHE 1567Ca -0.08 -0.23 -0.06 0.00 -0.60 0.00 0.00 56.93 55.96 3h0j s PHE 1567Cb -0.03 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.33 3h0j s PHE 1567CO -0.01 -0.07 0.06 0.21 0.70 0.00 0.00 175.22 176.11 3h0j s LYS 1568N -0.64 3.63 -0.05 0.44 2.20 0.33 -1.33 119.74 124.32 3h0j s LYS 1568Ca -0.06 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3h0j s LYS 1568Cb -0.04 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 3h0j s LYS 1568CO -0.00 0.48 -0.22 0.42 -0.36 0.00 0.00 175.35 175.67 3h0j s ILE 1569N -0.21 1.80 -0.14 5.43 1.01 -0.17 -1.82 121.20 127.09 3h0j s ILE 1569Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3h0j s ILE 1569Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3h0j s ILE 1569CO 0.01 0.51 -0.14 -0.89 0.00 0.00 0.00 174.94 174.43 3h0j s THR 1570N -0.06 1.57 -0.01 2.92 2.01 -0.86 -1.80 115.64 119.41 3h0j s THR 1570Ca -0.04 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3h0j s THR 1570Cb -0.13 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.92 3h0j s THR 1570CO 0.03 0.46 0.00 0.54 -0.69 0.00 0.00 174.62 174.96 3h0j s VAL 1571N 1.44 0.05 -0.05 3.82 0.11 0.47 -1.55 120.40 124.69 3h0j s VAL 1571Ca 0.04 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 3h0j s VAL 1571Cb -0.13 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 3h0j s VAL 1571CO -0.10 0.05 0.81 -0.54 -3.33 0.00 0.00 175.10 171.99 3h0j s LYS 1572N 0.33 4.47 0.14 1.54 1.02 -0.76 -0.94 119.74 125.53 3h0j s LYS 1572Ca -0.03 1.08 0.01 0.00 0.02 0.00 0.00 55.97 57.05 3h0j s LYS 1572Cb -0.04 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3h0j s LYS 1572CO -0.01 -0.01 -0.02 0.95 -0.92 0.00 0.00 175.35 175.35 3h0j s THR 1573N 0.99 0.60 0.29 2.17 -4.23 -0.76 -4.90 115.64 109.80 3h0j s THR 1573Ca 0.43 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 3h0j s THR 1573Cb -0.19 -1.93 0.35 0.00 1.34 0.00 0.00 72.50 72.07 3h0j s THR 1573CO 0.21 -0.64 1.61 -0.65 -0.54 0.00 0.00 174.62 174.61 3h0j h PRO 1574N 2.83 0.09 -0.02 3.99 0.11 -1.95 0.81 132.00 137.86 3h0j h PRO 1574Ca -0.36 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 3h0j h PRO 1574Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3h0j h PRO 1574CO 0.63 0.06 -0.73 0.93 -0.21 0.00 0.00 178.00 178.69 3h0j h GLU 1575N 0.10 0.15 -2.09 1.05 3.07 -1.91 -3.35 114.58 111.59 3h0j h GLU 1575Ca 0.56 -0.13 -0.56 0.00 -0.50 0.00 0.00 59.36 58.74 3h0j h GLU 1575Cb 1.15 0.03 -0.40 0.00 -0.84 0.00 0.00 28.75 28.68 3h0j h GLU 1575CO -0.77 0.81 -0.93 0.66 -1.40 0.00 0.00 179.01 177.38 3h0j n TYR 1576N -3.75 1.48 0.07 4.33 4.02 0.83 -4.81 117.16 119.34 3h0j n TYR 1576Ca -0.02 -3.84 0.21 0.00 -0.01 0.00 0.00 57.90 54.23 3h0j n TYR 1576Cb 0.70 -0.44 0.70 0.00 -0.02 0.00 0.00 39.34 40.28 3h0j n TYR 1576CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3h0j h PRO 1577N 3.63 0.00 -0.01 -0.72 0.13 0.30 0.54 132.00 135.88 3h0j h PRO 1577Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3h0j h PRO 1577Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3h0j h PRO 1577CO 0.62 0.00 -0.22 -2.13 -0.23 0.00 0.00 178.00 176.04 3h0j n ARG 1578N -3.56 0.74 0.00 0.86 0.63 -1.26 -4.54 116.66 109.53 3h0j n ARG 1578Ca 0.09 -0.39 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 3h0j n ARG 1578Cb 0.74 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 32.16 3h0j n ARG 1578CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h0j n GLY 1579N 1.33 3.40 3.18 5.14 0.00 0.18 -4.89 105.19 113.53 3h0j n GLY 1579Ca 0.12 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3h0j n GLY 1579CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h0j s ARG 1580N -4.47 0.69 0.18 1.61 1.70 -0.11 -4.90 118.95 113.64 3h0j s ARG 1580Ca 0.00 -0.65 0.07 0.00 -0.47 0.00 0.00 55.73 54.68 3h0j s ARG 1580Cb 0.00 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 3h0j s ARG 1580CO 0.00 -0.20 -0.14 -0.65 -1.08 0.00 0.00 175.30 173.23 3h0j s GLN 1581N -2.62 1.23 0.15 3.89 -0.21 -1.26 -0.39 119.66 120.45 3h0j s GLN 1581Ca -0.05 -1.48 -0.24 0.00 0.02 0.00 0.00 55.36 53.61 3h0j s GLN 1581Cb -0.01 -1.06 0.06 0.00 1.00 0.00 0.00 33.01 33.01 3h0j s GLN 1581CO -0.04 0.18 0.82 -0.59 -2.12 0.00 0.00 175.29 173.54 3h0j s PHE 1582N -2.70 -0.27 0.10 0.91 -0.12 -0.75 -4.31 117.98 110.84 3h0j s PHE 1582Ca 0.18 -0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.12 3h0j s PHE 1582Cb -0.02 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 3h0j s PHE 1582CO 0.05 -0.88 -0.15 0.08 -0.05 0.00 0.00 175.22 174.28 3h0j s VAL 1583N -3.50 3.05 -0.08 -2.49 1.01 0.04 -1.00 120.40 117.43 3h0j s VAL 1583Ca 0.08 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.74 3h0j s VAL 1583Cb -0.02 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3h0j s VAL 1583CO -0.02 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.35 3h0j s VAL 1584N -1.14 1.63 -0.03 2.92 1.01 -0.44 0.18 120.40 124.53 3h0j s VAL 1584Ca 0.19 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3h0j s VAL 1584Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3h0j s VAL 1584CO 0.11 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.81 3h0j s VAL 1585N 0.47 1.42 0.06 2.92 1.01 0.16 -1.35 120.40 125.10 3h0j s VAL 1585Ca -0.17 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 3h0j s VAL 1585Cb -0.17 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.04 3h0j s VAL 1585CO 0.06 0.40 0.36 0.00 0.00 0.00 0.00 175.10 175.93 3h0j s ALA 1586N -0.17 -0.83 0.35 5.51 0.00 -0.02 -0.21 121.76 126.40 3h0j s ALA 1586Ca 0.01 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 3h0j s ALA 1586Cb -0.09 0.42 -0.10 0.00 0.00 0.00 0.00 23.12 23.35 3h0j s ALA 1586CO 0.01 -0.49 0.87 -0.80 0.00 0.00 0.00 175.76 175.35 3h0j s ASN 1587N -2.26 7.02 -0.62 0.00 0.01 -1.15 -1.20 114.94 116.74 3h0j s ASN 1587Ca -0.03 1.60 -0.16 0.00 -0.71 0.00 0.00 52.86 53.57 3h0j s ASN 1587Cb 0.00 -2.50 0.15 0.00 0.41 0.00 0.00 41.25 39.31 3h0j s ASN 1587CO -0.05 -0.20 0.60 -0.62 -1.51 0.00 0.00 177.10 175.32 3h0j s ASP 1588N -1.99 6.32 0.65 -1.22 3.68 -0.47 -4.78 116.67 118.87 3h0j s ASP 1588Ca 0.55 -1.94 0.30 0.00 2.13 0.00 0.00 52.55 53.59 3h0j s ASP 1588Cb -0.13 -2.23 1.63 0.00 -1.45 0.00 0.00 42.92 40.75 3h0j s ASP 1588CO 0.18 -0.84 1.94 -0.29 0.13 0.00 0.00 175.17 176.29 3h0j h ILE 1589N 5.65 0.09 0.00 4.11 6.09 -1.89 -0.23 117.51 131.34 3h0j h ILE 1589Ca -0.20 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 3h0j h ILE 1589Cb 1.08 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.05 3h0j h ILE 1589CO 0.99 0.00 -0.63 0.71 -3.07 0.00 0.00 178.15 176.15 3h0j h THR 1590N 0.00 0.05 -2.77 2.19 1.35 -1.91 -3.14 112.91 108.68 3h0j h THR 1590Ca 0.04 -1.08 -0.64 0.00 -0.55 0.00 0.00 66.41 64.18 3h0j h THR 1590Cb 0.72 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 68.73 3h0j h THR 1590CO -0.00 0.03 0.48 0.12 -0.25 0.00 0.00 175.52 175.90 3h0j s PHE 1591N -3.27 2.73 -1.28 4.73 5.36 -0.11 -4.25 117.98 121.89 3h0j s PHE 1591Ca 0.02 -0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 55.36 3h0j s PHE 1591Cb 0.08 -4.21 -0.00 0.00 -0.34 0.00 0.00 43.02 38.55 3h0j s PHE 1591CO 0.74 -1.55 0.61 1.63 -1.46 0.00 0.00 175.22 175.19 3h0j n LYS 1592N 7.49 -2.33 -3.22 10.12 5.02 -1.26 -1.72 118.16 132.25 3h0j n LYS 1592Ca -0.04 0.42 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 3h0j n LYS 1592Cb 0.45 -4.28 -0.03 0.00 -0.02 0.00 0.00 35.03 31.16 3h0j n LYS 1592CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3h0j n ILE 1593N -4.34 -0.10 -3.06 -0.18 -5.35 -1.23 -0.93 119.36 104.19 3h0j n ILE 1593Ca -0.21 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.07 3h0j n ILE 1593Cb 0.64 -0.36 0.04 0.00 -1.74 0.00 0.00 39.64 38.22 3h0j n ILE 1593CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h0j n GLY 1594N -0.74 -0.36 3.81 3.28 0.00 -0.70 -2.92 105.19 107.56 3h0j n GLY 1594Ca 0.03 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3h0j n GLY 1594CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0j s SER 1595N -2.89 7.09 -0.57 1.61 1.04 -0.10 -2.03 113.70 117.85 3h0j s SER 1595Ca 0.33 1.65 -0.20 0.00 0.48 0.00 0.00 55.95 58.21 3h0j s SER 1595Cb -0.14 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.54 3h0j s SER 1595CO 0.41 -0.16 0.76 -0.36 0.98 0.00 0.00 173.24 174.87 3h0j s PHE 1596N -1.83 2.92 0.52 5.02 0.40 0.65 -4.79 117.98 120.87 3h0j s PHE 1596Ca 0.53 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 3h0j s PHE 1596Cb -0.14 -3.93 0.03 0.00 0.51 0.00 0.00 43.02 39.49 3h0j s PHE 1596CO 0.19 -1.30 0.73 0.20 0.70 0.00 0.00 175.22 175.74 3h0j s GLY 1597N 3.25 1.86 0.38 4.36 0.00 -1.26 -1.98 107.32 113.93 3h0j s GLY 1597Ca 0.17 -1.49 0.11 0.00 0.00 0.00 0.00 44.72 43.51 3h0j s GLY 1597CO 0.10 -1.22 1.88 -0.56 0.00 0.00 0.00 173.10 173.31 3h0j h PRO 1598N 0.21 0.59 -0.33 2.90 0.13 -1.89 -1.86 132.00 131.74 3h0j h PRO 1598Ca -0.40 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 3h0j h PRO 1598Cb 1.29 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3h0j h PRO 1598CO 0.49 0.39 -0.10 1.96 -0.23 0.00 0.00 178.00 180.50 3h0j h GLN 1599N 0.60 0.55 -0.06 0.86 4.20 -1.97 -0.53 115.11 118.77 3h0j h GLN 1599Ca 0.43 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 3h0j h GLN 1599Cb 0.79 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3h0j h GLN 1599CO -0.19 0.65 0.00 0.93 -0.67 0.00 0.00 178.83 179.55 3h0j h GLU 1600N 0.51 0.11 -0.92 1.46 3.07 -1.72 -2.17 114.58 114.91 3h0j h GLU 1600Ca 0.10 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 3h0j h GLU 1600Cb 0.48 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 3h0j h GLU 1600CO 0.03 0.38 0.57 -0.44 -1.40 0.00 0.00 179.01 178.15 3h0j h ASP 1601N -0.18 0.88 -0.56 1.42 3.32 -1.13 0.13 116.42 120.30 3h0j h ASP 1601Ca 0.02 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3h0j h ASP 1601Cb 0.33 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3h0j h ASP 1601CO 0.00 0.53 0.26 -0.08 -1.72 0.00 0.00 179.24 178.23 3h0j h GLU 1602N 0.99 0.80 -0.41 3.56 4.57 -0.99 -0.99 114.58 122.12 3h0j h GLU 1602Ca 0.42 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 3h0j h GLU 1602Cb 0.29 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3h0j h GLU 1602CO -0.21 0.66 0.02 0.35 -1.18 0.00 0.00 179.01 178.65 3h0j h PHE 1603N 0.75 0.78 -0.58 0.92 3.57 -0.50 -0.33 116.94 121.56 3h0j h PHE 1603Ca 0.19 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3h0j h PHE 1603Cb 0.13 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3h0j h PHE 1603CO -0.00 0.78 0.19 0.35 -2.23 0.00 0.00 178.31 177.39 3h0j h PHE 1604N 0.56 0.87 -0.03 0.41 3.57 -0.67 -0.23 116.94 121.42 3h0j h PHE 1604Ca 0.12 -0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.35 3h0j h PHE 1604Cb 0.45 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3h0j h PHE 1604CO 0.03 0.70 -0.84 -0.97 -2.23 0.00 0.00 178.31 175.01 3h0j h ASN 1605N 0.84 0.46 0.06 0.41 -0.73 -1.00 -2.60 115.58 113.01 3h0j h ASN 1605Ca 0.19 -0.34 -0.11 0.00 1.87 0.00 0.00 56.30 57.92 3h0j h ASN 1605Cb 0.23 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 3h0j h ASN 1605CO -0.01 1.11 -0.36 0.50 -0.37 0.00 0.00 177.43 178.30 3h0j h LYS 1606N 0.23 0.41 -0.26 6.67 1.63 -0.47 -2.56 116.57 122.22 3h0j h LYS 1606Ca -0.05 -0.18 -0.17 0.00 -0.85 0.00 0.00 60.65 59.39 3h0j h LYS 1606Cb 1.44 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 3h0j h LYS 1606CO 0.14 0.71 -0.50 0.28 -3.45 0.00 0.00 179.45 176.63 3h0j h VAL 1607N 0.35 1.29 -0.87 2.00 2.07 -1.04 -2.43 116.25 117.62 3h0j h VAL 1607Ca 0.04 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 3h0j h VAL 1607Cb 0.79 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3h0j h VAL 1607CO 0.06 0.55 0.51 0.74 0.02 0.00 0.00 177.57 179.45 3h0j h THR 1608N 0.55 1.24 -0.14 2.57 2.02 -1.34 -1.42 112.91 116.39 3h0j h THR 1608Ca 0.01 -0.55 -0.19 0.00 0.77 0.00 0.00 66.41 66.44 3h0j h THR 1608Cb 1.11 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3h0j h THR 1608CO 0.11 0.26 -0.69 -0.33 0.37 0.00 0.00 175.52 175.24 3h0j h GLU 1609N 1.20 0.60 -0.51 6.66 5.08 -1.48 -0.80 114.58 125.34 3h0j h GLU 1609Ca 0.31 -0.46 0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3h0j h GLU 1609Cb -0.03 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 3h0j h GLU 1609CO -0.06 1.08 0.05 -0.92 -1.00 0.00 0.00 179.01 178.16 3h0j h TYR 1610N 0.43 0.05 -0.13 4.33 3.20 -0.87 0.16 116.97 124.14 3h0j h TYR 1610Ca -0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3h0j h TYR 1610Cb 1.28 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 3h0j h TYR 1610CO 0.06 -0.07 -0.06 0.00 -1.64 0.00 0.00 178.16 176.44 3h0j h ALA 1611N 1.43 0.18 -0.35 1.82 0.00 -1.12 -2.89 119.26 118.33 3h0j h ALA 1611Ca 0.26 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h0j h ALA 1611Cb 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3h0j h ALA 1611CO -0.39 -0.03 0.06 0.00 0.00 0.00 0.00 179.25 178.90 3h0j h ARG 1612N -0.08 0.18 -0.89 0.00 2.47 -0.57 0.51 114.38 115.99 3h0j h ARG 1612Ca 0.03 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.80 3h0j h ARG 1612Cb 0.53 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 3h0j h ARG 1612CO 0.02 0.12 0.58 -0.22 0.56 0.00 0.00 179.97 181.03 3h0j h LYS 1613N 0.18 0.99 -0.00 0.04 3.64 -0.70 -1.36 116.57 119.36 3h0j h LYS 1613Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3h0j h LYS 1613Cb 0.19 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3h0j h LYS 1613CO -0.22 0.66 -0.39 0.54 -2.27 0.00 0.00 179.45 177.76 3h0j n ARG 1614N -4.49 0.13 -0.91 1.90 1.74 -0.67 -4.94 116.66 109.42 3h0j n ARG 1614Ca 0.13 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3h0j n ARG 1614Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3h0j n ARG 1614CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0j n GLY 1615N 1.47 0.56 3.84 -0.13 0.00 0.17 -4.68 105.19 106.42 3h0j n GLY 1615Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3h0j n GLY 1615CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h0j s ILE 1616N -2.54 4.58 0.60 -0.61 -4.36 -0.96 -0.77 121.20 117.14 3h0j s ILE 1616Ca 0.00 1.12 -0.19 0.00 -0.26 0.00 0.00 60.65 61.32 3h0j s ILE 1616Cb 0.00 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.05 3h0j s ILE 1616CO 0.00 -0.29 1.10 -2.65 0.24 0.00 0.00 174.94 173.35 3h0j n PRO 1617N -0.60 1.06 -4.04 0.37 -0.02 -1.26 -4.55 135.00 125.96 3h0j n PRO 1617Ca 0.05 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 3h0j n PRO 1617Cb 0.54 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 3h0j n PRO 1617CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3h0j s ARG 1618N -2.92 2.31 -0.28 -0.52 3.52 -0.06 -0.78 118.95 120.23 3h0j s ARG 1618Ca 0.77 -1.31 -0.11 0.00 -0.13 0.00 0.00 55.73 54.95 3h0j s ARG 1618Cb -0.41 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3h0j s ARG 1618CO 0.46 -0.56 0.18 0.42 -0.81 0.00 0.00 175.30 174.99 3h0j s ILE 1619N 1.14 5.20 -0.17 4.11 1.09 0.13 -2.84 121.20 129.86 3h0j s ILE 1619Ca -0.08 0.09 -0.06 0.00 -1.10 0.00 0.00 60.65 59.50 3h0j s ILE 1619Cb -0.20 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 3h0j s ILE 1619CO -0.05 0.23 0.02 -0.47 -0.10 0.00 0.00 174.94 174.57 3h0j s TYR 1620N 1.74 3.16 -0.40 3.97 6.04 -0.57 -0.67 117.35 130.61 3h0j s TYR 1620Ca 0.07 -0.08 -0.08 0.00 0.04 0.00 0.00 57.07 57.01 3h0j s TYR 1620Cb -0.16 -2.02 0.07 0.00 -1.04 0.00 0.00 41.96 38.81 3h0j s TYR 1620CO 0.10 0.08 0.22 -0.51 -1.54 0.00 0.00 175.55 173.90 3h0j s LEU 1621N 0.35 4.99 -0.21 6.97 1.43 0.71 -0.64 118.68 132.28 3h0j s LEU 1621Ca -0.00 -1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 51.46 3h0j s LEU 1621Cb -0.13 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3h0j s LEU 1621CO 0.01 -0.49 0.43 0.00 0.23 0.00 0.00 176.35 176.53 3h0j s ALA 1622N 1.39 3.56 -0.37 4.21 0.00 0.82 -2.92 121.76 128.45 3h0j s ALA 1622Ca 0.03 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.51 3h0j s ALA 1622Cb -0.22 -2.70 0.17 0.00 0.00 0.00 0.00 23.12 20.37 3h0j s ALA 1622CO 0.02 -0.40 0.54 0.00 0.00 0.00 0.00 175.76 175.92 3h0j s ALA 1623N 1.53 -1.76 0.29 0.00 0.00 -1.26 -1.33 121.76 119.23 3h0j s ALA 1623Ca 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3h0j s ALA 1623Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 3h0j s ALA 1623CO 0.09 -2.10 0.43 0.54 0.00 0.00 0.00 175.76 174.71 3h0j s ASN 1624N 1.95 0.50 -0.05 0.00 4.22 -0.34 -4.19 114.94 117.03 3h0j s ASN 1624Ca 0.15 -1.30 0.11 0.00 -2.14 0.00 0.00 52.86 49.68 3h0j s ASN 1624Cb -0.09 0.60 0.31 0.00 1.28 0.00 0.00 41.25 43.36 3h0j s ASN 1624CO -0.11 -1.18 1.25 -1.20 -2.04 0.00 0.00 177.10 173.82 3h0j n SER 1625N -0.93 2.98 0.00 3.54 7.64 -0.86 -3.56 113.62 122.43 3h0j n SER 1625Ca 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.58 3h0j n SER 1625Cb 0.62 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3h0j n SER 1625CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h0j n GLY 1626N 0.01 -1.59 3.77 0.23 0.00 -1.24 -4.81 105.19 101.56 3h0j n GLY 1626Ca 0.12 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3h0j n GLY 1626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0j s ALA 1627N -1.13 3.23 0.41 4.61 0.00 -1.26 -0.25 121.76 127.36 3h0j s ALA 1627Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 3h0j s ALA 1627Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3h0j s ALA 1627CO 0.00 -0.74 1.10 0.50 0.00 0.00 0.00 175.76 176.62 3h0j s ARG 1628N -2.24 4.06 0.08 0.00 3.52 -0.83 -4.69 118.95 118.85 3h0j s ARG 1628Ca 0.57 1.63 0.02 0.00 -0.13 0.00 0.00 55.73 57.82 3h0j s ARG 1628Cb -0.36 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3h0j s ARG 1628CO 0.46 -0.26 -0.07 0.96 -0.81 0.00 0.00 175.30 175.58 3h0j s ILE 1629N -1.58 0.65 0.00 4.11 -4.36 -1.25 -4.53 121.20 114.24 3h0j s ILE 1629Ca 0.59 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3h0j s ILE 1629Cb -0.25 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.03 3h0j s ILE 1629CO 0.31 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.35 3h0j n GLY 1630N 0.32 0.95 3.69 6.27 0.00 -1.16 -4.88 105.19 110.38 3h0j n GLY 1630Ca -0.15 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 3h0j n GLY 1630CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h0j s MET 1631N -2.00 2.10 -1.17 1.61 -1.94 -1.26 -4.63 119.30 112.01 3h0j s MET 1631Ca 0.00 -1.98 -0.21 0.00 -1.71 0.00 0.00 55.69 51.79 3h0j s MET 1631Cb 0.00 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 35.05 3h0j s MET 1631CO 0.00 -0.10 1.74 0.00 -0.01 0.00 0.00 175.02 176.65 3h0j s ALA 1632N -2.66 2.66 0.48 3.03 0.00 -1.26 -4.74 121.76 119.27 3h0j s ALA 1632Ca 0.37 -2.45 0.21 0.00 0.00 0.00 0.00 51.96 50.09 3h0j s ALA 1632Cb 0.07 -4.62 1.24 0.00 0.00 0.00 0.00 23.12 19.80 3h0j s ALA 1632CO 0.20 -3.97 1.95 0.93 0.00 0.00 0.00 175.76 174.87 3h0j h GLU 1633N 8.95 0.20 -2.01 0.00 4.39 -2.01 -2.08 114.58 122.02 3h0j h GLU 1633Ca 0.30 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 3h0j h GLU 1633Cb 0.93 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3h0j h GLU 1633CO 1.37 0.13 -0.09 -0.85 -1.16 0.00 0.00 179.01 178.42 3h0j n GLU 1634N -4.42 1.19 0.00 2.33 0.00 -1.26 -2.43 120.64 116.05 3h0j n GLU 1634Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.05 3h0j n GLU 1634Cb 0.61 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.78 3h0j n GLU 1634CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3h0j n ILE 1635N 1.78 0.00 0.09 3.84 2.08 -0.78 -4.92 119.36 121.46 3h0j n ILE 1635Ca 0.10 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.40 3h0j n ILE 1635Cb 0.57 0.00 0.25 0.00 -0.75 0.00 0.00 39.64 39.71 3h0j n ILE 1635CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 3h0j h VAL 1636N 0.00 1.29 0.00 1.39 3.04 -1.54 -2.14 116.25 118.29 3h0j h VAL 1636Ca 0.00 -1.39 -0.11 0.00 -1.01 0.00 0.00 66.70 64.20 3h0j h VAL 1636Cb 0.00 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 3h0j h VAL 1636CO 0.00 0.42 -0.56 1.55 -1.01 0.00 0.00 177.57 177.97 3h0j h PRO 1637N 0.22 0.00 -0.25 4.17 0.13 -1.92 -3.36 132.00 130.99 3h0j h PRO 1637Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3h0j h PRO 1637Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3h0j h PRO 1637CO 0.06 0.46 0.00 1.47 -0.23 0.00 0.00 178.00 179.76 3h0j n LEU 1638N -3.19 2.66 -4.81 1.56 -0.00 -1.19 -5.01 117.00 107.02 3h0j n LEU 1638Ca 0.01 -1.92 -0.35 0.00 -0.00 0.00 0.00 56.01 53.74 3h0j n LEU 1638Cb 0.73 -0.17 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 3h0j n LEU 1638CO 0.40 0.66 0.53 0.72 -0.00 0.00 0.00 177.39 179.71 3h0j s PHE 1639N -0.98 3.56 -0.02 1.47 -0.12 -0.81 -4.70 117.98 116.39 3h0j s PHE 1639Ca 0.18 1.53 0.06 0.00 -0.05 0.00 0.00 56.93 58.65 3h0j s PHE 1639Cb 0.09 -2.75 -0.02 0.00 -0.63 0.00 0.00 43.02 39.72 3h0j s PHE 1639CO 0.12 0.18 -0.21 -1.14 -0.05 0.00 0.00 175.22 174.13 3h0j s GLN 1640N -2.36 1.73 -0.15 1.99 2.00 0.14 -4.96 119.66 118.06 3h0j s GLN 1640Ca 0.50 -0.75 -0.08 0.00 -2.00 0.00 0.00 55.36 53.03 3h0j s GLN 1640Cb -0.15 -1.66 -0.04 0.00 0.80 0.00 0.00 33.01 31.96 3h0j s GLN 1640CO 0.20 0.45 0.13 0.54 -0.50 0.00 0.00 175.29 176.10 3h0j s VAL 1641N -0.47 5.39 -1.09 1.34 0.11 -1.26 0.12 120.40 124.53 3h0j s VAL 1641Ca 0.08 0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.13 3h0j s VAL 1641Cb -0.08 -3.39 0.14 0.00 -1.53 0.00 0.00 36.38 31.53 3h0j s VAL 1641CO -0.01 0.55 1.33 0.00 -3.33 0.00 0.00 175.10 173.65 3h0j s ALA 1642N -0.52 3.65 1.24 1.54 0.00 -0.63 -4.96 121.76 122.08 3h0j s ALA 1642Ca 0.12 -3.05 -0.15 0.00 0.00 0.00 0.00 51.96 48.88 3h0j s ALA 1642Cb -0.12 -4.14 0.31 0.00 0.00 0.00 0.00 23.12 19.17 3h0j s ALA 1642CO 0.02 -2.92 1.00 -1.58 0.00 0.00 0.00 175.76 172.28 3h0j s TRP 1643N 2.32 0.92 0.00 0.00 0.52 -1.26 -1.06 118.94 120.38 3h0j s TRP 1643Ca 0.39 1.02 -0.05 0.00 0.02 0.00 0.00 56.10 57.49 3h0j s TRP 1643Cb -0.03 -3.04 -0.29 0.00 -1.15 0.00 0.00 33.47 28.96 3h0j s TRP 1643CO -0.04 -4.19 0.85 -0.91 0.02 0.00 0.00 176.95 172.69 3h0j h ASN 1644N -2.85 0.45 -1.17 2.95 2.35 -1.83 -3.42 115.58 112.06 3h0j h ASN 1644Ca -0.59 -0.61 0.12 0.00 -0.55 0.00 0.00 56.30 54.66 3h0j h ASN 1644Cb 1.34 -0.15 -0.21 0.00 0.05 0.00 0.00 38.32 39.35 3h0j h ASN 1644CO 0.46 1.51 -0.12 1.51 -1.65 0.00 0.00 177.43 179.14 3h0j s ASP 1645N -7.07 -1.11 0.29 5.81 -4.77 -1.26 -5.05 116.67 103.52 3h0j s ASP 1645Ca -0.10 0.97 0.10 0.00 -3.30 0.00 0.00 52.55 50.22 3h0j s ASP 1645Cb 0.06 2.04 0.90 0.00 -1.09 0.00 0.00 42.92 44.84 3h0j s ASP 1645CO 0.86 -0.21 1.34 0.00 0.70 0.00 0.00 175.17 177.86 3h0j n ALA 1646N 5.39 0.66 -0.24 2.11 0.00 -1.26 -1.64 120.51 125.53 3h0j n ALA 1646Ca -0.06 0.89 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 3h0j n ALA 1646Cb 0.51 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3h0j n ALA 1646CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h0j h ALA 1647N 1.70 -0.53 -3.54 0.00 0.00 -2.02 -3.35 119.26 111.52 3h0j h ALA 1647Ca 0.62 0.08 -0.64 0.00 0.00 0.00 0.00 54.91 54.97 3h0j h ALA 1647Cb 1.50 1.13 -0.40 0.00 0.00 0.00 0.00 17.79 20.02 3h0j h ALA 1647CO -0.73 -0.94 -0.73 -0.80 0.00 0.00 0.00 179.25 176.06 3h0j s ASN 1648N -5.21 4.56 0.13 0.00 0.01 -0.65 -4.99 114.94 108.78 3h0j s ASN 1648Ca -0.14 -2.06 -0.19 0.00 -0.71 0.00 0.00 52.86 49.76 3h0j s ASN 1648Cb 0.11 -1.43 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 3h0j s ASN 1648CO 0.64 -0.38 1.75 -0.65 -1.51 0.00 0.00 177.10 176.94 3h0j h PRO 1649N 7.69 0.18 0.00 -0.60 0.11 -1.72 -2.57 132.00 135.09 3h0j h PRO 1649Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3h0j h PRO 1649Cb 1.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3h0j h PRO 1649CO 0.51 0.12 0.12 -0.40 -0.21 0.00 0.00 178.00 178.15 3h0j n ASP 1650N -5.03 0.00 -0.11 -2.05 3.85 -1.26 -0.10 116.55 111.86 3h0j n ASP 1650Ca -0.02 0.09 0.14 0.00 -0.71 0.00 0.00 54.79 54.29 3h0j n ASP 1650Cb 0.08 -0.09 0.52 0.00 -1.35 0.00 0.00 41.12 40.28 3h0j n ASP 1650CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3h0j n LYS 1651N -0.93 0.53 0.00 0.11 4.76 -0.97 -5.03 118.16 116.63 3h0j n LYS 1651Ca 0.00 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 3h0j n LYS 1651Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3h0j n LYS 1651CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h0j n GLY 1652N 1.35 1.65 3.07 0.72 0.00 0.86 -4.92 105.19 107.92 3h0j n GLY 1652Ca 0.12 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 3h0j n GLY 1652CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h0j s PHE 1653N -1.81 0.57 -0.03 1.61 -0.12 -1.26 -2.55 117.98 114.38 3h0j s PHE 1653Ca 0.00 -0.74 -0.06 0.00 -0.05 0.00 0.00 56.93 56.08 3h0j s PHE 1653Cb 0.00 -0.37 -0.29 0.00 -0.63 0.00 0.00 43.02 41.73 3h0j s PHE 1653CO 0.00 -0.20 0.73 1.96 -0.05 0.00 0.00 175.22 177.66 3h0j h GLN 1654N 3.86 0.31 0.00 1.99 1.08 -1.34 -3.48 115.11 117.53 3h0j h GLN 1654Ca -0.34 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.33 3h0j h GLN 1654Cb 1.18 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 3h0j h GLN 1654CO 0.52 1.19 0.00 2.48 -0.95 0.00 0.00 178.83 182.08 3h0j n TYR 1655N -3.50 -0.06 -4.42 2.96 0.18 -1.25 -5.03 117.16 106.04 3h0j n TYR 1655Ca -0.21 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.32 3h0j n TYR 1655Cb 1.06 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.89 3h0j n TYR 1655CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3h0j s LEU 1656N 0.00 2.25 0.33 -3.48 1.43 -1.26 -1.61 118.68 116.35 3h0j s LEU 1656Ca 0.00 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 3h0j s LEU 1656Cb 0.00 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.30 3h0j s LEU 1656CO 0.00 0.10 0.55 -0.72 0.23 0.00 0.00 176.35 176.51 3h0j s TYR 1657N -1.03 0.70 0.01 0.29 1.13 0.32 -1.96 117.35 116.80 3h0j s TYR 1657Ca 0.07 -1.06 0.07 0.00 -1.41 0.00 0.00 57.07 54.74 3h0j s TYR 1657Cb -0.10 0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 3h0j s TYR 1657CO 0.03 -1.21 -0.23 -0.51 -2.51 0.00 0.00 175.55 171.13 3h0j s LEU 1658N -3.15 2.09 0.46 -3.49 1.43 0.70 0.28 118.68 116.99 3h0j s LEU 1658Ca 0.25 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3h0j s LEU 1658Cb -0.02 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3h0j s LEU 1658CO 0.16 0.25 0.74 0.42 0.23 0.00 0.00 176.35 178.15 3h0j s THR 1659N -0.63 4.95 0.47 5.49 -4.23 -1.26 -1.69 115.64 118.74 3h0j s THR 1659Ca 0.09 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.95 3h0j s THR 1659Cb -0.09 -3.86 0.47 0.00 1.34 0.00 0.00 72.50 70.35 3h0j s THR 1659CO 0.00 -0.79 1.79 0.28 -0.54 0.00 0.00 174.62 175.36 3h0j h SER 1660N 0.33 0.22 -0.49 3.99 0.02 -1.99 0.97 113.55 116.59 3h0j h SER 1660Ca -0.47 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3h0j h SER 1660Cb 1.21 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3h0j h SER 1660CO 0.62 0.04 0.32 -0.08 -1.14 0.00 0.00 176.83 176.58 3h0j h GLU 1661N 0.19 0.65 0.61 3.45 4.57 -1.94 -1.84 114.58 120.26 3h0j h GLU 1661Ca 0.57 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.68 3h0j h GLU 1661Cb 1.86 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 30.31 3h0j h GLU 1661CO -0.15 0.43 -0.29 0.78 -1.18 0.00 0.00 179.01 178.60 3h0j h GLY 1662N 0.66 -0.85 -0.52 1.92 0.00 0.59 -1.76 103.07 103.11 3h0j h GLY 1662Ca 0.18 0.32 0.28 0.00 0.00 0.00 0.00 47.33 48.11 3h0j h GLY 1662CO -0.04 -0.31 0.99 -0.33 0.00 0.00 0.00 176.54 176.85 3h0j h MET 1663N -1.07 0.00 0.05 4.80 2.86 -1.27 0.47 114.93 120.77 3h0j h MET 1663Ca -0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3h0j h MET 1663Cb 0.63 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.29 3h0j h MET 1663CO 0.14 0.00 -0.37 1.49 1.06 0.00 0.00 176.91 179.23 3h0j h GLU 1664N 0.00 0.15 -0.47 1.72 4.57 -1.09 -3.14 114.58 116.32 3h0j h GLU 1664Ca 0.46 -0.24 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3h0j h GLU 1664Cb 2.43 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 31.04 3h0j h GLU 1664CO -0.00 1.08 0.08 1.15 -1.18 0.00 0.00 179.01 180.14 3h0j h THR 1665N -0.66 0.73 -0.58 0.32 2.02 0.83 -1.85 112.91 113.73 3h0j h THR 1665Ca -0.06 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3h0j h THR 1665Cb 1.25 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3h0j h THR 1665CO 0.07 0.04 0.32 -0.07 0.37 0.00 0.00 175.52 176.25 3h0j h LEU 1666N 0.21 0.48 -2.32 2.58 3.38 -1.53 -1.54 115.31 116.57 3h0j h LEU 1666Ca 0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3h0j h LEU 1666Cb 0.31 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h0j h LEU 1666CO -0.31 0.33 -0.03 0.50 0.09 0.00 0.00 178.44 179.02 3h0j h LYS 1667N 0.61 0.00 -0.06 1.13 3.64 -1.30 -0.69 116.57 119.90 3h0j h LYS 1667Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3h0j h LYS 1667Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3h0j h LYS 1667CO -0.15 0.03 0.00 1.17 -2.27 0.00 0.00 179.45 178.23 3h0j n LYS 1668N -3.25 1.21 -0.45 1.90 4.81 -0.58 -3.00 118.16 118.80 3h0j n LYS 1668Ca -0.02 -0.32 0.01 0.00 -0.87 0.00 0.00 58.31 57.12 3h0j n LYS 1668Cb 0.17 -1.22 0.02 0.00 0.02 0.00 0.00 35.03 34.01 3h0j n LYS 1668CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3h0j n PHE 1669N -0.38 0.00 -1.08 5.64 3.72 -0.37 -4.97 117.46 120.01 3h0j n PHE 1669Ca 0.10 -0.11 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 3h0j n PHE 1669Cb 0.11 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3h0j n PHE 1669CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3h0j n ASP 1670N -0.16 -4.53 -2.37 4.37 4.64 -1.11 -4.84 116.55 112.55 3h0j n ASP 1670Ca 0.02 0.18 -0.28 0.00 -1.38 0.00 0.00 54.79 53.33 3h0j n ASP 1670Cb 0.69 -3.32 0.01 0.00 -1.04 0.00 0.00 41.12 37.47 3h0j n ASP 1670CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3h0j n LYS 1671N -0.46 2.35 0.09 -0.67 5.02 -0.60 -4.48 118.16 119.40 3h0j n LYS 1671Ca -0.07 -2.51 -0.12 0.00 -2.02 0.00 0.00 58.31 53.60 3h0j n LYS 1671Cb 0.46 -2.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.34 3h0j n LYS 1671CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3h0j h GLU 1672N 2.38 0.21 0.00 1.97 3.07 -1.89 -2.99 114.58 117.34 3h0j h GLU 1672Ca 0.44 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3h0j h GLU 1672Cb 0.67 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3h0j h GLU 1672CO 1.08 1.08 0.00 0.09 -1.40 0.00 0.00 179.01 179.86 3h0j n ASN 1673N -3.57 0.47 0.00 1.42 4.13 -1.26 -2.69 115.26 113.76 3h0j n ASN 1673Ca -0.05 0.67 0.00 0.00 1.68 0.00 0.00 54.58 56.88 3h0j n ASN 1673Cb 0.92 -0.75 0.01 0.00 -1.54 0.00 0.00 39.78 38.41 3h0j n ASN 1673CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3h0j n SER 1674N -2.08 0.00 -3.51 6.41 7.64 -1.13 -4.55 113.62 116.41 3h0j n SER 1674Ca 0.01 0.47 -0.15 0.00 1.01 0.00 0.00 58.87 60.20 3h0j n SER 1674Cb 0.11 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 3h0j n SER 1674CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3h0j s VAL 1675N -2.94 0.00 -0.34 0.44 0.11 -1.10 -1.71 120.40 114.87 3h0j s VAL 1675Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3h0j s VAL 1675Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3h0j s VAL 1675CO 0.00 0.00 0.09 -0.76 -3.33 0.00 0.00 175.10 171.10 3h0j s LEU 1676N -1.54 4.32 0.01 2.54 1.02 -0.07 -4.95 118.68 120.00 3h0j s LEU 1676Ca -0.07 -1.29 0.08 0.00 0.02 0.00 0.00 54.13 52.87 3h0j s LEU 1676Cb -0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 3h0j s LEU 1676CO 0.03 -0.34 -0.23 0.42 0.02 0.00 0.00 176.35 176.25 3h0j s THR 1677N 1.33 1.87 -0.30 5.49 -4.23 -1.26 0.38 115.64 118.92 3h0j s THR 1677Ca -0.02 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 3h0j s THR 1677Cb -0.20 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3h0j s THR 1677CO 0.01 0.41 0.10 -0.70 -0.54 0.00 0.00 174.62 173.89 3h0j s GLU 1678N -0.86 3.21 -0.28 3.99 2.12 0.40 -4.89 118.70 122.38 3h0j s GLU 1678Ca 0.09 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 3h0j s GLU 1678Cb -0.09 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3h0j s GLU 1678CO 0.00 -0.41 1.10 0.50 -0.54 0.00 0.00 175.26 175.91 3h0j s ARG 1679N 1.54 4.12 -0.16 4.30 3.52 -1.26 -1.68 118.95 129.33 3h0j s ARG 1679Ca 0.03 1.21 -0.07 0.00 -0.13 0.00 0.00 55.73 56.77 3h0j s ARG 1679Cb -0.17 -3.73 0.06 0.00 -1.56 0.00 0.00 34.95 29.56 3h0j s ARG 1679CO 0.04 -0.83 0.36 0.95 -0.81 0.00 0.00 175.30 175.00 3h0j s THR 1680N 3.58 -0.24 -0.21 4.11 -4.23 -0.75 -5.01 115.64 112.90 3h0j s THR 1680Ca 0.47 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 3h0j s THR 1680Cb -0.14 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 3h0j s THR 1680CO 0.13 0.06 0.37 0.54 -0.54 0.00 0.00 174.62 175.19 3h0j s VAL 1681N 1.82 5.21 -0.18 2.29 0.11 -1.26 -3.41 120.40 124.99 3h0j s VAL 1681Ca -0.06 0.64 -0.10 0.00 -2.93 0.00 0.00 61.98 59.54 3h0j s VAL 1681Cb -0.10 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 3h0j s VAL 1681CO -0.11 0.25 0.15 -0.51 -3.33 0.00 0.00 175.10 171.55 3h0j s ILE 1682N 1.34 5.42 0.00 7.04 2.07 -1.11 -4.94 121.20 131.01 3h0j s ILE 1682Ca 0.18 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 3h0j s ILE 1682Cb -0.15 -3.47 0.00 0.00 0.13 0.00 0.00 42.46 38.97 3h0j s ILE 1682CO 0.08 0.47 0.00 -0.46 -1.91 0.00 0.00 174.94 173.12 3h0j n ASN 1683N 3.23 0.00 0.00 4.50 2.04 -1.26 -2.91 115.26 120.86 3h0j n ASN 1683Ca -0.16 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.98 3h0j n ASN 1683Cb 0.53 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.78 3h0j n ASN 1683CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h0j n GLY 1684N 0.00 -1.14 3.93 4.83 0.00 -1.26 -4.92 105.19 106.63 3h0j n GLY 1684Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3h0j n GLY 1684CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0j s GLU 1685N 0.00 1.87 -0.57 1.61 0.41 -1.14 -5.04 118.70 115.84 3h0j s GLU 1685Ca 0.00 -0.27 -0.21 0.00 -0.41 0.00 0.00 54.97 54.08 3h0j s GLU 1685Cb 0.00 -2.09 0.07 0.00 -1.78 0.00 0.00 34.13 30.33 3h0j s GLU 1685CO 0.00 -1.51 0.78 -2.00 -0.49 0.00 0.00 175.26 172.04 3h0j s GLU 1686N -5.41 3.14 -0.10 1.61 2.12 -1.26 -2.77 118.70 116.03 3h0j s GLU 1686Ca 0.63 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 3h0j s GLU 1686Cb -0.09 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 3h0j s GLU 1686CO 0.47 -1.49 0.04 1.03 -0.54 0.00 0.00 175.26 174.77 3h0j s ARG 1687N 3.23 3.21 -0.38 4.30 0.52 -1.22 -4.04 118.95 124.56 3h0j s ARG 1687Ca 0.19 -0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.99 3h0j s ARG 1687Cb -0.19 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.41 3h0j s ARG 1687CO 0.11 0.67 0.18 -0.06 0.02 0.00 0.00 175.30 176.22 3h0j s PHE 1688N -0.77 3.33 -0.16 -0.53 0.40 -0.68 -1.80 117.98 117.76 3h0j s PHE 1688Ca 0.12 -1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 54.58 3h0j s PHE 1688Cb -0.12 -2.66 -0.01 0.00 0.51 0.00 0.00 43.02 40.74 3h0j s PHE 1688CO 0.03 -0.81 1.11 0.08 0.70 0.00 0.00 175.22 176.33 3h0j s VAL 1689N 1.38 4.55 -0.24 -0.44 1.01 -0.68 -0.22 120.40 125.77 3h0j s VAL 1689Ca 0.01 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 3h0j s VAL 1689Cb -0.21 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.98 3h0j s VAL 1689CO 0.02 -0.10 1.03 0.27 0.00 0.00 0.00 175.10 176.31 3h0j s ILE 1690N 2.87 4.67 -0.12 2.22 -4.36 -0.83 -0.46 121.20 125.20 3h0j s ILE 1690Ca 0.49 1.96 0.20 0.00 -0.26 0.00 0.00 60.65 63.05 3h0j s ILE 1690Cb -0.19 -4.31 -0.22 0.00 1.25 0.00 0.00 42.46 39.00 3h0j s ILE 1690CO 0.13 -0.20 0.59 0.29 0.24 0.00 0.00 174.94 175.98 3h0j n LYS 1691N 6.35 0.65 -3.65 0.37 4.76 0.16 -4.75 118.16 122.05 3h0j n LYS 1691Ca 0.12 -0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.45 3h0j n LYS 1691Cb 0.46 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 3h0j n LYS 1691CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3h0j s THR 1692N -3.19 -0.00 -0.26 -0.18 2.01 -1.11 -5.01 115.64 107.89 3h0j s THR 1692Ca -0.06 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 3h0j s THR 1692Cb 0.11 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3h0j s THR 1692CO 0.85 0.01 0.22 -0.63 -0.69 0.00 0.00 174.62 174.38 3h0j s ILE 1693N 1.48 5.30 -0.27 1.82 1.01 -1.26 -0.90 121.20 128.38 3h0j s ILE 1693Ca -0.09 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 3h0j s ILE 1693Cb -0.06 -3.56 -0.13 0.00 0.01 0.00 0.00 42.46 38.72 3h0j s ILE 1693CO -0.17 0.26 -0.31 -0.38 0.00 0.00 0.00 174.94 174.34 3h0j n ILE 1694N 4.80 1.48 0.00 2.92 -0.00 -0.98 -5.00 119.36 122.58 3h0j n ILE 1694Ca -0.13 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.18 3h0j n ILE 1694Cb 0.52 -1.73 0.00 0.00 -0.00 0.00 0.00 39.64 38.43 3h0j n ILE 1694CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3h0j n GLY 1695N 1.60 -2.69 0.14 7.39 0.00 -0.69 -4.83 105.19 106.11 3h0j n GLY 1695Ca -0.51 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 44.37 3h0j n GLY 1695CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h0j h SER 1696N 0.00 0.00 -3.82 1.61 4.64 -1.91 -3.45 113.55 110.62 3h0j h SER 1696Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3h0j h SER 1696Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3h0j h SER 1696CO 0.00 0.55 0.51 -1.61 -0.87 0.00 0.00 176.83 175.41 3h0j s GLU 1697N -3.18 4.57 0.09 4.77 0.41 -1.26 -5.04 118.70 119.07 3h0j s GLU 1697Ca 0.02 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 56.47 3h0j s GLU 1697Cb 0.09 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 29.25 3h0j s GLU 1697CO 0.74 0.12 0.25 0.34 -0.49 0.00 0.00 175.26 176.22 3h0j s ASP 1698N -0.80 6.37 0.00 -0.19 3.68 -1.26 -4.56 116.67 119.91 3h0j s ASP 1698Ca 0.46 0.27 0.00 0.00 2.13 0.00 0.00 52.55 55.41 3h0j s ASP 1698Cb -0.34 -1.96 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 3h0j s ASP 1698CO 0.44 0.12 0.00 0.61 0.13 0.00 0.00 175.17 176.47 3h0j n GLY 1699N 0.03 1.18 0.13 2.66 0.00 -1.26 -4.98 105.19 102.95 3h0j n GLY 1699Ca -0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3h0j n GLY 1699CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h0j n LEU 1700N -0.10 2.59 0.00 0.99 4.77 -1.26 -3.80 117.00 120.19 3h0j n LEU 1700Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3h0j n LEU 1700Cb 0.19 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3h0j n LEU 1700CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3h0j n GLY 1701N 1.94 3.55 0.63 -0.72 0.00 -1.26 -2.99 105.19 106.33 3h0j n GLY 1701Ca -0.39 -0.23 0.41 0.00 0.00 0.00 0.00 46.02 45.81 3h0j n GLY 1701CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3h0j h VAL 1702N 0.00 0.00 0.00 1.61 -1.51 -1.98 1.57 116.25 115.95 3h0j h VAL 1702Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 3h0j h VAL 1702Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.16 3h0j h VAL 1702CO 0.00 0.00 -0.19 1.05 -1.23 0.00 0.00 177.57 177.20 3h0j h GLU 1703N 0.00 0.00 0.04 5.19 9.09 -1.98 0.13 114.58 127.06 3h0j h GLU 1703Ca 0.72 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.90 3h0j h GLU 1703Cb 3.38 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 30.47 3h0j h GLU 1703CO -0.01 0.19 -1.07 0.00 0.05 0.00 0.00 179.01 178.18 3h0j h LEU 1705N 0.03 0.97 -0.10 0.00 3.38 -1.11 -2.25 115.31 116.23 3h0j h LEU 1705Ca -0.05 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 3h0j h LEU 1705Cb 1.82 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 3h0j h LEU 1705CO 0.15 1.37 0.04 -0.09 0.09 0.00 0.00 178.44 180.01 3h0j h ARG 1706N 0.63 0.14 -0.07 1.13 2.43 -0.82 -1.72 114.38 116.10 3h0j h ARG 1706Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3h0j h ARG 1706Cb 1.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3h0j h ARG 1706CO 0.14 0.22 -0.03 0.78 -1.51 0.00 0.00 179.97 179.57 3h0j h GLY 1707N 0.03 0.10 0.83 2.80 0.00 -1.53 -1.24 103.07 104.05 3h0j h GLY 1707Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3h0j h GLY 1707CO -0.00 0.04 -0.32 0.23 0.00 0.00 0.00 176.54 176.49 3h0j h SER 1708N 0.09 -0.76 -0.64 0.19 0.87 -0.89 -2.55 113.55 109.87 3h0j h SER 1708Ca 0.02 -0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3h0j h SER 1708Cb 0.11 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3h0j h SER 1708CO 0.00 -0.44 0.43 1.23 -0.53 0.00 0.00 176.83 177.53 3h0j h GLY 1709N -1.08 0.52 0.47 5.77 0.00 -0.99 -1.48 103.07 106.29 3h0j h GLY 1709Ca -0.09 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3h0j h GLY 1709CO 0.15 0.07 -0.23 -2.00 0.00 0.00 0.00 176.54 174.53 3h0j h LEU 1710N 0.34 -0.67 -0.82 3.11 5.85 -0.84 -1.55 115.31 120.72 3h0j h LEU 1710Ca 0.30 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 59.01 3h0j h LEU 1710Cb 0.72 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3h0j h LEU 1710CO -0.08 -0.30 -0.50 0.16 -0.34 0.00 0.00 178.44 177.38 3h0j h ILE 1711N -0.36 1.16 -0.32 4.05 3.07 -1.04 -1.13 117.51 122.94 3h0j h ILE 1711Ca 0.06 -1.84 0.00 0.00 1.55 0.00 0.00 64.86 64.63 3h0j h ILE 1711Cb 0.44 2.05 -0.02 0.00 -0.27 0.00 0.00 36.82 39.02 3h0j h ILE 1711CO -0.21 0.49 0.20 0.00 -1.05 0.00 0.00 178.15 177.59 3h0j h ALA 1712N 1.50 0.41 -0.08 0.16 0.00 -0.90 0.22 119.26 120.57 3h0j h ALA 1712Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3h0j h ALA 1712Cb 1.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3h0j h ALA 1712CO 0.06 -0.11 -0.35 0.78 0.00 0.00 0.00 179.25 179.63 3h0j h GLY 1713N 0.42 0.16 1.28 0.00 0.00 -1.09 -0.00 103.07 103.83 3h0j h GLY 1713Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 3h0j h GLY 1713CO -0.02 0.13 -0.23 0.00 0.00 0.00 0.00 176.54 176.41 3h0j h ALA 1714N 1.51 0.82 -0.16 3.60 0.00 -0.31 -2.06 119.26 122.66 3h0j h ALA 1714Ca 0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 3h0j h ALA 1714Cb 0.69 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h0j h ALA 1714CO 0.05 0.64 -0.65 1.15 0.00 0.00 0.00 179.25 180.45 3h0j h THR 1715N 0.72 1.30 -0.38 0.00 2.02 -0.15 -1.18 112.91 115.24 3h0j h THR 1715Ca 0.10 -1.87 0.07 0.00 0.77 0.00 0.00 66.41 65.47 3h0j h THR 1715Cb 0.76 1.98 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 3h0j h THR 1715CO 0.06 0.59 -0.03 -1.28 0.37 0.00 0.00 175.52 175.23 3h0j h SER 1716N 0.44 -0.23 0.24 4.18 0.87 -0.92 -1.45 113.55 116.68 3h0j h SER 1716Ca -0.03 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3h0j h SER 1716Cb 1.28 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 3h0j h SER 1716CO 0.14 -0.07 -0.12 0.03 -0.53 0.00 0.00 176.83 176.28 3h0j h ARG 1717N 0.07 -0.31 -0.92 2.24 3.08 -1.28 -3.11 114.38 114.15 3h0j h ARG 1717Ca 0.19 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.47 3h0j h ARG 1717Cb 0.27 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.28 3h0j h ARG 1717CO -0.34 -0.12 0.47 0.00 -1.07 0.00 0.00 179.97 178.90 3h0j h ALA 1718N 0.29 1.52 -0.15 0.04 0.00 -0.82 -0.95 119.26 119.20 3h0j h ALA 1718Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3h0j h ALA 1718Cb 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3h0j h ALA 1718CO 0.05 -0.27 0.23 -0.92 0.00 0.00 0.00 179.25 178.35 3h0j h TYR 1719N 0.50 0.00 -0.56 0.00 5.03 -1.20 0.39 116.97 121.14 3h0j h TYR 1719Ca 0.57 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.88 3h0j h TYR 1719Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.31 3h0j h TYR 1719CO -0.09 0.00 0.00 0.72 -1.32 0.00 0.00 178.16 177.47 3h0j n HIS 1720N -3.52 0.74 0.00 -3.82 8.25 -0.36 -4.22 115.22 112.29 3h0j n HIS 1720Ca 0.01 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3h0j n HIS 1720Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3h0j n HIS 1720CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3h0j n ASP 1721N 1.46 1.10 -4.15 0.41 4.64 0.12 -4.75 116.55 115.39 3h0j n ASP 1721Ca 0.21 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.37 3h0j n ASP 1721Cb 0.58 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.58 3h0j n ASP 1721CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3h0j s ILE 1722N -1.92 0.64 -0.23 5.18 -4.36 -0.37 -4.73 121.20 115.41 3h0j s ILE 1722Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 3h0j s ILE 1722Cb 0.00 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.36 3h0j s ILE 1722CO 0.00 0.00 1.08 0.12 0.24 0.00 0.00 174.94 176.38 3h0j s PHE 1723N -3.20 3.23 -0.07 1.37 5.36 -1.26 -4.10 117.98 119.30 3h0j s PHE 1723Ca 0.24 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 3h0j s PHE 1723Cb 0.03 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.31 3h0j s PHE 1723CO 0.14 -0.72 -0.13 0.95 -1.46 0.00 0.00 175.22 174.00 3h0j s THR 1724N 3.33 3.15 -0.17 0.12 -4.23 -1.26 -0.88 115.64 115.70 3h0j s THR 1724Ca 0.46 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 60.14 3h0j s THR 1724Cb -0.16 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.46 3h0j s THR 1724CO 0.09 0.57 0.46 -0.51 -0.54 0.00 0.00 174.62 174.69 3h0j s ILE 1725N -0.44 0.00 -0.06 2.99 -1.16 -1.13 -4.22 121.20 117.18 3h0j s ILE 1725Ca 0.06 -0.01 0.03 0.00 -0.51 0.00 0.00 60.65 60.21 3h0j s ILE 1725Cb -0.12 -0.65 0.01 0.00 0.61 0.00 0.00 42.46 42.31 3h0j s ILE 1725CO 0.02 -0.01 -0.12 -0.89 -2.81 0.00 0.00 174.94 171.13 3h0j s THR 1726N 0.20 1.13 -0.18 4.00 2.01 0.03 -1.52 115.64 121.30 3h0j s THR 1726Ca -0.00 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 3h0j s THR 1726Cb -0.03 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3h0j s THR 1726CO 0.01 0.35 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.04 3h0j s LEU 1727N 0.52 3.20 -0.43 4.42 2.96 0.18 -0.99 118.68 128.55 3h0j s LEU 1727Ca -0.12 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.45 3h0j s LEU 1727Cb -0.14 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.79 3h0j s LEU 1727CO 0.03 0.10 0.33 -0.69 -1.32 0.00 0.00 176.35 174.80 3h0j s VAL 1728N 0.76 5.25 -2.65 1.68 1.01 -0.78 -0.13 120.40 125.54 3h0j s VAL 1728Ca -0.01 -0.75 0.23 0.00 0.00 0.00 0.00 61.98 61.45 3h0j s VAL 1728Cb -0.14 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.39 3h0j s VAL 1728CO 0.02 -0.38 1.19 0.35 0.00 0.00 0.00 175.10 176.27 3h0j n THR 1729N 5.18 0.00 -3.67 3.92 -2.24 -0.44 -2.52 114.28 114.52 3h0j n THR 1729Ca -0.11 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 3h0j n THR 1729Cb 0.46 1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 70.10 3h0j n THR 1729CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0j n ARG 1731N -0.42 0.00 -3.70 0.00 1.85 -1.26 -4.38 116.66 108.76 3h0j n ARG 1731Ca -0.07 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.54 3h0j n ARG 1731Cb 0.61 -0.87 -0.17 0.00 -1.05 0.00 0.00 32.46 30.98 3h0j n ARG 1731CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3h0j s SER 1732N -0.87 2.14 0.20 2.89 0.15 0.14 -1.19 113.70 117.15 3h0j s SER 1732Ca 0.46 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.76 3h0j s SER 1732Cb -0.36 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 3h0j s SER 1732CO 0.61 -0.28 -0.06 -0.69 1.20 0.00 0.00 173.24 174.03 3h0j s VAL 1733N 2.02 3.34 0.00 4.45 1.01 -1.23 -1.45 120.40 128.54 3h0j s VAL 1733Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.30 3h0j s VAL 1733Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3h0j s VAL 1733CO -0.07 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.45 3h0j n GLY 1734N -0.25 2.35 0.36 4.51 0.00 -0.78 0.20 105.19 111.58 3h0j n GLY 1734Ca -0.09 0.37 0.18 0.00 0.00 0.00 0.00 46.02 46.48 3h0j n GLY 1734CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h0j h ILE 1735N 0.00 0.61 -0.64 -0.61 6.09 -1.93 0.29 117.51 121.33 3h0j h ILE 1735Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 3h0j h ILE 1735Cb 0.00 0.77 -0.03 0.00 0.47 0.00 0.00 36.82 38.04 3h0j h ILE 1735CO 0.00 0.00 0.23 1.23 -3.07 0.00 0.00 178.15 176.54 3h0j h GLY 1736N 0.00 1.06 1.09 8.18 0.00 0.19 0.71 103.07 114.29 3h0j h GLY 1736Ca 0.17 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 3h0j h GLY 1736CO -0.00 0.57 -0.17 0.00 0.00 0.00 0.00 176.54 176.93 3h0j h ALA 1737N 1.09 0.68 -0.08 3.60 0.00 -0.37 -2.82 119.26 121.36 3h0j h ALA 1737Ca 0.21 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3h0j h ALA 1737Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h0j h ALA 1737CO -0.01 0.63 -0.44 1.88 0.00 0.00 0.00 179.25 181.32 3h0j h TYR 1738N 0.84 0.22 -0.29 0.00 0.05 -1.11 -2.76 116.97 113.90 3h0j h TYR 1738Ca 0.12 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3h0j h TYR 1738Cb 0.74 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 3h0j h TYR 1738CO 0.05 0.59 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.46 3h0j h LEU 1739N 0.15 0.55 -0.26 3.88 3.38 -0.75 0.81 115.31 123.07 3h0j h LEU 1739Ca 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h0j h LEU 1739Cb 0.84 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3h0j h LEU 1739CO 0.06 0.78 0.16 0.58 0.09 0.00 0.00 178.44 180.11 3h0j h VAL 1740N 0.49 1.09 -0.18 1.22 2.07 -1.24 -2.32 116.25 117.38 3h0j h VAL 1740Ca 0.08 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 3h0j h VAL 1740Cb 0.65 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3h0j h VAL 1740CO 0.05 0.09 -0.56 -0.09 0.02 0.00 0.00 177.57 177.08 3h0j h ARG 1741N 0.34 0.69 0.00 1.57 9.65 -1.37 -3.11 114.38 122.15 3h0j h ARG 1741Ca 0.10 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 3h0j h ARG 1741Cb -0.00 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3h0j h ARG 1741CO -0.02 1.12 -0.01 -0.07 2.80 0.00 0.00 179.97 183.79 3h0j h LEU 1742N 0.38 0.00 0.00 3.80 3.38 -0.76 0.56 115.31 122.67 3h0j h LEU 1742Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h0j h LEU 1742Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3h0j h LEU 1742CO 0.12 0.01 -0.07 0.61 0.09 0.00 0.00 178.44 179.21 3h0j n GLY 1743N -1.42 -1.61 5.38 0.83 0.00 -0.88 -4.48 105.19 103.01 3h0j n GLY 1743Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3h0j n GLY 1743CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h0j n GLN 1744N -1.99 0.00 -1.80 1.61 1.13 0.20 -4.50 117.38 112.02 3h0j n GLN 1744Ca 0.06 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 3h0j n GLN 1744Cb 0.40 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.72 3h0j n GLN 1744CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h0j s ARG 1745N 0.00 3.49 -0.01 -1.09 0.52 -1.26 -4.81 118.95 115.80 3h0j s ARG 1745Ca 0.00 1.94 0.01 0.00 -0.52 0.00 0.00 55.73 57.16 3h0j s ARG 1745Cb 0.00 -4.23 0.00 0.00 0.52 0.00 0.00 34.95 31.24 3h0j s ARG 1745CO 0.00 -1.68 -0.02 0.00 0.02 0.00 0.00 175.30 173.62 3h0j s ALA 1746N 6.69 0.21 -0.23 2.13 0.00 -1.26 -0.79 121.76 128.50 3h0j s ALA 1746Ca 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3h0j s ALA 1746Cb -0.31 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3h0j s ALA 1746CO 0.35 0.02 -0.10 0.42 0.00 0.00 0.00 175.76 176.45 3h0j s ILE 1747N 0.14 2.62 -0.23 0.00 1.01 -0.16 -0.14 121.20 124.44 3h0j s ILE 1747Ca -0.01 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 3h0j s ILE 1747Cb -0.03 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3h0j s ILE 1747CO -0.00 0.28 0.15 -1.58 0.00 0.00 0.00 174.94 173.78 3h0j s GLN 1748N 1.30 4.09 -0.05 2.79 0.74 -0.03 -1.87 119.66 126.63 3h0j s GLN 1748Ca 0.01 -0.26 -0.29 0.00 0.05 0.00 0.00 55.36 54.86 3h0j s GLN 1748Cb -0.16 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 3h0j s GLN 1748CO -0.07 0.13 0.96 0.08 -0.55 0.00 0.00 175.29 175.84 3h0j s VAL 1749N 0.85 4.86 0.18 1.34 1.01 -1.05 -0.95 120.40 126.65 3h0j s VAL 1749Ca 0.07 1.98 -0.31 0.00 0.00 0.00 0.00 61.98 63.72 3h0j s VAL 1749Cb -0.13 -4.28 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 3h0j s VAL 1749CO 0.03 0.10 0.79 -0.62 0.00 0.00 0.00 175.10 175.40 3h0j n GLU 1750N 4.36 0.41 0.00 2.72 1.02 -0.19 -1.73 120.64 127.23 3h0j n GLU 1750Ca 0.06 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3h0j n GLU 1750Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3h0j n GLU 1750CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h0j n GLY 1751N 1.79 2.89 3.57 0.62 0.00 -1.26 -4.96 105.19 107.84 3h0j n GLY 1751Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3h0j n GLY 1751CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h0j s GLN 1752N -0.28 3.74 0.20 1.61 -1.52 -0.70 -4.90 119.66 117.81 3h0j s GLN 1752Ca 0.00 -0.03 -0.15 0.00 -1.95 0.00 0.00 55.36 53.23 3h0j s GLN 1752Cb 0.00 -3.77 -0.07 0.00 -0.22 0.00 0.00 33.01 28.95 3h0j s GLN 1752CO 0.00 -0.56 0.61 -1.25 -0.25 0.00 0.00 175.29 173.83 3h0j s PRO 1753N 2.38 4.01 -0.34 2.91 0.04 -1.26 -4.77 135.00 137.96 3h0j s PRO 1753Ca 0.19 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.69 3h0j s PRO 1753Cb -0.15 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.59 3h0j s PRO 1753CO 0.12 0.39 0.16 0.42 0.04 0.00 0.00 177.00 178.14 3h0j s ILE 1754N -1.60 4.47 0.11 0.56 1.01 -0.38 -0.69 121.20 124.68 3h0j s ILE 1754Ca 0.43 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 3h0j s ILE 1754Cb -0.14 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3h0j s ILE 1754CO 0.20 -0.07 0.14 0.27 0.00 0.00 0.00 174.94 175.47 3h0j s ILE 1755N 1.56 0.13 0.00 2.92 -4.36 -0.53 -3.86 121.20 117.07 3h0j s ILE 1755Ca 0.03 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 3h0j s ILE 1755Cb -0.18 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 41.88 3h0j s ILE 1755CO 0.06 -0.60 0.00 0.18 0.24 0.00 0.00 174.94 174.82 3h0j n LEU 1756N -0.07 0.00 -4.76 0.37 4.32 -1.26 -1.86 117.00 113.73 3h0j n LEU 1756Ca -0.11 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.48 3h0j n LEU 1756Cb 0.62 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 3h0j n LEU 1756CO 0.26 0.00 0.86 -0.89 -1.22 0.00 0.00 177.39 176.40 3h0j s THR 1757N 2.18 3.19 0.67 -5.08 2.01 -1.26 -4.28 115.64 113.07 3h0j s THR 1757Ca 0.00 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 3h0j s THR 1757Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 3h0j s THR 1757CO 0.00 0.27 1.06 -0.83 -0.69 0.00 0.00 174.62 174.43 3h0j s GLY 1758N -0.77 1.65 0.14 4.40 0.00 -1.26 -4.85 107.32 106.63 3h0j s GLY 1758Ca 0.47 -0.14 -0.28 0.00 0.00 0.00 0.00 44.72 44.77 3h0j s GLY 1758CO 0.45 0.18 1.59 0.00 0.00 0.00 0.00 173.10 175.31 3h0j h ALA 1759N -0.54 -0.51 -0.55 3.20 0.00 -1.94 -0.62 119.26 118.31 3h0j h ALA 1759Ca -0.44 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.55 3h0j h ALA 1759Cb 1.22 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 3h0j h ALA 1759CO 0.61 -0.88 -0.49 -1.35 0.00 0.00 0.00 179.25 177.15 3h0j h PRO 1760N -0.44 -0.26 -0.22 0.00 0.11 -1.93 0.31 132.00 129.57 3h0j h PRO 1760Ca 0.09 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.25 3h0j h PRO 1760Cb 0.60 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 3h0j h PRO 1760CO -0.42 -0.17 0.04 0.00 -0.21 0.00 0.00 178.00 177.23 3h0j h ALA 1761N 0.39 0.22 -0.20 -0.75 0.00 -1.87 0.38 119.26 117.43 3h0j h ALA 1761Ca 0.14 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3h0j h ALA 1761Cb 0.57 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3h0j h ALA 1761CO -0.67 -0.39 -0.07 0.82 0.00 0.00 0.00 179.25 178.93 3h0j h ILE 1762N 0.12 0.75 0.03 0.00 2.04 0.03 0.12 117.51 120.60 3h0j h ILE 1762Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3h0j h ILE 1762Cb 0.10 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3h0j h ILE 1762CO -0.14 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.59 3h0j h ASN 1763N -0.04 -0.58 -1.03 1.72 2.35 0.02 -1.22 115.58 116.82 3h0j h ASN 1763Ca 0.10 0.08 0.28 0.00 -0.55 0.00 0.00 56.30 56.21 3h0j h ASN 1763Cb 0.19 0.23 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 3h0j h ASN 1763CO -0.23 -0.27 0.61 0.50 -1.65 0.00 0.00 177.43 176.40 3h0j h LYS 1764N -0.34 0.44 0.62 0.81 1.63 0.59 0.55 116.57 120.86 3h0j h LYS 1764Ca 0.05 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3h0j h LYS 1764Cb 0.40 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3h0j h LYS 1764CO -0.16 0.29 -0.30 0.52 -3.45 0.00 0.00 179.45 176.35 3h0j h MET 1765N 0.45 -0.80 0.00 1.90 2.86 0.30 -2.81 114.93 116.84 3h0j h MET 1765Ca 0.67 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.37 3h0j h MET 1765Cb 1.47 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.31 3h0j h MET 1765CO -0.48 -0.53 0.00 1.28 1.06 0.00 0.00 176.91 178.24 3h0j n LEU 1766N -5.29 0.00 -1.09 1.22 4.32 -0.53 -4.79 117.00 110.83 3h0j n LEU 1766Ca -0.10 0.11 -0.10 0.00 -0.02 0.00 0.00 56.01 55.90 3h0j n LEU 1766Cb 0.33 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.97 3h0j n LEU 1766CO 0.25 -0.09 -0.09 0.61 -1.22 0.00 0.00 177.39 176.84 3h0j n GLY 1767N -0.74 0.95 3.59 -0.72 0.00 0.18 -4.89 105.19 103.55 3h0j n GLY 1767Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3h0j n GLY 1767CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h0j s ARG 1768N -2.68 1.97 -1.03 1.61 3.52 -1.06 -4.99 118.95 116.29 3h0j s ARG 1768Ca 0.00 -2.20 -0.01 0.00 -0.13 0.00 0.00 55.73 53.39 3h0j s ARG 1768Cb 0.00 -1.02 0.32 0.00 -1.56 0.00 0.00 34.95 32.69 3h0j s ARG 1768CO 0.00 -0.36 1.83 -1.91 -0.81 0.00 0.00 175.30 174.05 3h0j n GLU 1769N -0.99 5.41 -0.07 5.12 4.07 -1.26 -4.45 120.64 128.47 3h0j n GLU 1769Ca -0.09 -4.66 -0.15 0.00 -0.06 0.00 0.00 57.16 52.20 3h0j n GLU 1769Cb 0.66 -2.47 -0.05 0.00 -0.06 0.00 0.00 31.44 29.52 3h0j n GLU 1769CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3h0j h VAL 1770N 2.21 1.30 -4.10 6.31 2.07 -1.94 -3.46 116.25 118.63 3h0j h VAL 1770Ca 0.54 -1.69 -0.65 0.00 0.82 0.00 0.00 66.70 65.71 3h0j h VAL 1770Cb 0.32 1.75 -0.24 0.00 -1.52 0.00 0.00 31.29 31.59 3h0j h VAL 1770CO 1.18 0.54 -0.86 -0.31 0.02 0.00 0.00 177.57 178.14 3h0j s TYR 1771N -4.08 2.15 -0.21 1.57 1.51 -1.26 -4.68 117.35 112.35 3h0j s TYR 1771Ca -0.12 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.39 3h0j s TYR 1771Cb 0.09 -1.23 -0.11 0.00 -0.11 0.00 0.00 41.96 40.60 3h0j s TYR 1771CO 0.86 0.20 -0.16 2.41 -1.11 0.00 0.00 175.55 177.76 3h0j n THR 1772N 1.42 1.50 -4.30 -0.71 -1.04 -1.26 -4.87 114.28 105.02 3h0j n THR 1772Ca -0.18 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.05 61.63 3h0j n THR 1772Cb 0.53 -2.13 -0.10 0.00 -1.82 0.00 0.00 70.33 66.80 3h0j n THR 1772CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3h0j s SER 1773N -6.61 1.82 0.55 8.00 1.04 -1.26 -4.98 113.70 112.26 3h0j s SER 1773Ca -0.29 -1.13 0.35 0.00 0.48 0.00 0.00 55.95 55.36 3h0j s SER 1773Cb 0.07 0.00 1.53 0.00 0.10 0.00 0.00 66.02 67.73 3h0j s SER 1773CO 0.45 -0.43 2.03 0.78 0.98 0.00 0.00 173.24 177.05 3h0j h ASN 1774N 2.60 0.00 0.11 7.02 2.35 -1.99 -2.51 115.58 123.16 3h0j h ASN 1774Ca -0.38 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3h0j h ASN 1774Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 3h0j h ASN 1774CO 0.64 0.00 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.33 3h0j h LEU 1775N 0.00 0.00 -0.97 1.61 3.38 -1.93 0.50 115.31 117.90 3h0j h LEU 1775Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3h0j h LEU 1775Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3h0j h LEU 1775CO 0.00 0.02 -0.48 1.56 0.09 0.00 0.00 178.44 179.63 3h0j h GLN 1776N 0.00 0.09 0.12 1.13 4.20 -1.85 -0.65 115.11 118.14 3h0j h GLN 1776Ca -0.00 -0.04 -0.36 0.00 0.06 0.00 0.00 58.65 58.31 3h0j h GLN 1776Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3h0j h GLN 1776CO 0.00 0.55 -1.94 1.28 -0.67 0.00 0.00 178.83 178.06 3h0j n LEU 1777N -3.97 2.58 -1.73 1.46 4.77 0.12 -4.73 117.00 115.50 3h0j n LEU 1777Ca -0.02 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 3h0j n LEU 1777Cb 0.51 -1.12 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 3h0j n LEU 1777CO 0.41 0.81 0.06 0.61 -1.33 0.00 0.00 177.39 177.95 3h0j n GLY 1778N 1.95 1.13 1.45 -0.72 0.00 0.13 -4.87 105.19 104.27 3h0j n GLY 1778Ca -0.32 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3h0j n GLY 1778CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0j n GLY 1779N 0.28 -1.43 0.18 -0.02 0.00 -0.25 -1.24 105.19 102.71 3h0j n GLY 1779Ca 0.05 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.43 3h0j n GLY 1779CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h0j h THR 1780N -1.37 1.29 0.00 2.61 1.35 -1.86 -1.80 112.91 113.12 3h0j h THR 1780Ca -0.16 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3h0j h THR 1780Cb 0.45 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3h0j h THR 1780CO 0.11 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 3h0j n GLN 1781N -4.06 0.19 -0.03 4.72 3.00 -1.26 -1.07 117.38 118.87 3h0j n GLN 1781Ca -0.02 0.16 -0.06 0.00 -0.01 0.00 0.00 57.00 57.07 3h0j n GLN 1781Cb 0.43 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.16 3h0j n GLN 1781CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3h0j n ILE 1782N -1.27 1.37 0.10 5.09 2.08 -0.85 -4.56 119.36 121.33 3h0j n ILE 1782Ca 0.06 0.24 -0.05 0.00 0.56 0.00 0.00 62.75 63.56 3h0j n ILE 1782Cb 0.10 -2.02 0.05 0.00 -0.75 0.00 0.00 39.64 37.02 3h0j n ILE 1782CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3h0j h MET 1783N -0.58 0.07 0.01 0.38 2.86 -1.35 -2.11 114.93 114.21 3h0j h MET 1783Ca -0.01 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.36 3h0j h MET 1783Cb 0.60 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3h0j h MET 1783CO -0.01 0.80 -0.91 -0.92 1.06 0.00 0.00 176.91 176.94 3h0j h TYR 1784N 0.04 0.16 0.00 -0.22 3.20 -1.30 0.88 116.97 119.73 3h0j h TYR 1784Ca -0.02 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3h0j h TYR 1784Cb 1.36 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3h0j h TYR 1784CO 0.01 0.95 0.00 -0.91 -1.64 0.00 0.00 178.16 176.57 3h0j h ASN 1785N 0.05 0.00 0.72 -2.11 4.21 -1.60 -3.06 115.58 113.79 3h0j h ASN 1785Ca -0.03 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.22 3h0j h ASN 1785Cb 1.57 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.77 3h0j h ASN 1785CO 0.13 0.00 -1.19 -1.13 -1.29 0.00 0.00 177.43 173.95 3h0j h ASN 1786N 0.00 0.32 0.00 5.81 -0.00 -1.06 -3.39 115.58 117.26 3h0j h ASN 1786Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.30 55.96 3h0j h ASN 1786Cb 0.85 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.07 3h0j h ASN 1786CO 0.00 1.27 0.00 0.61 -0.00 0.00 0.00 177.43 179.31 3h0j n GLY 1787N 1.49 0.78 0.14 1.57 0.00 -0.90 -4.88 105.19 103.40 3h0j n GLY 1787Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3h0j n GLY 1787CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h0j h VAL 1788N 0.00 1.26 -3.73 1.61 2.07 -1.69 -3.39 116.25 112.38 3h0j h VAL 1788Ca 0.00 -0.90 -0.66 0.00 0.82 0.00 0.00 66.70 65.96 3h0j h VAL 1788Cb 0.00 1.41 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 3h0j h VAL 1788CO 0.00 0.28 -0.36 -0.44 0.02 0.00 0.00 177.57 177.07 3h0j s SER 1789N -5.91 6.14 0.17 0.57 0.01 0.24 -4.48 113.70 110.44 3h0j s SER 1789Ca -0.14 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 3h0j s SER 1789Cb 0.07 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.18 3h0j s SER 1789CO 0.74 -0.24 1.43 0.45 0.41 0.00 0.00 173.24 176.03 3h0j h HIS 1790N 8.41 0.59 -3.76 2.43 3.86 -0.75 -3.39 115.15 122.54 3h0j h HIS 1790Ca -0.31 -0.26 -0.09 0.00 -1.16 0.00 0.00 60.37 58.55 3h0j h HIS 1790Cb 1.16 -0.09 -0.14 0.00 1.06 0.00 0.00 27.41 29.39 3h0j h HIS 1790CO 0.71 1.01 -0.37 -0.51 0.86 0.00 0.00 177.93 179.63 3h0j s LEU 1791N -8.02 1.40 0.37 2.43 1.43 -1.13 -1.11 118.68 114.05 3h0j s LEU 1791Ca -0.06 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3h0j s LEU 1791Cb 0.10 1.04 -0.05 0.00 0.03 0.00 0.00 46.19 47.31 3h0j s LEU 1791CO 0.84 -0.71 0.11 0.42 0.23 0.00 0.00 176.35 177.24 3h0j s THR 1792N -3.68 2.56 -0.05 5.49 -4.23 -1.26 -0.85 115.64 113.63 3h0j s THR 1792Ca 0.03 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 3h0j s THR 1792Cb 0.04 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3h0j s THR 1792CO -0.10 -0.11 0.10 0.00 -0.54 0.00 0.00 174.62 173.97 3h0j s ALA 1793N -2.54 -0.17 0.54 3.99 0.00 -0.12 -4.82 121.76 118.64 3h0j s ALA 1793Ca 0.38 0.47 0.22 0.00 0.00 0.00 0.00 51.96 53.03 3h0j s ALA 1793Cb 0.01 -0.32 1.43 0.00 0.00 0.00 0.00 23.12 24.25 3h0j s ALA 1793CO 0.21 -0.11 2.13 -0.24 0.00 0.00 0.00 175.76 177.75 3h0j h VAL 1794N 5.83 0.81 -2.24 0.00 3.04 -1.92 -0.49 116.25 121.28 3h0j h VAL 1794Ca -0.39 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.49 3h0j h VAL 1794Cb 1.15 0.93 -0.09 0.00 -2.01 0.00 0.00 31.29 31.27 3h0j h VAL 1794CO 0.45 0.00 0.52 1.51 -1.01 0.00 0.00 177.57 179.04 3h0j s ASP 1795N -6.60 -0.18 0.06 3.17 1.47 -1.26 -4.69 116.67 108.64 3h0j s ASP 1795Ca -0.05 -0.35 -0.13 0.00 1.18 0.00 0.00 52.55 53.21 3h0j s ASP 1795Cb 0.17 0.44 -0.04 0.00 -0.34 0.00 0.00 42.92 43.16 3h0j s ASP 1795CO 0.65 -0.82 1.21 0.44 0.68 0.00 0.00 175.17 177.34 3h0j h ASP 1796N 2.00 -0.79 -1.01 2.11 3.32 -1.95 0.31 116.42 120.42 3h0j h ASP 1796Ca -0.24 0.11 0.32 0.00 0.02 0.00 0.00 57.03 57.24 3h0j h ASP 1796Cb 1.23 0.34 -0.15 0.00 0.22 0.00 0.00 39.33 40.97 3h0j h ASP 1796CO 0.26 -0.13 0.58 0.25 -1.72 0.00 0.00 179.24 178.48 3h0j h LEU 1797N -0.09 0.52 -0.46 1.55 5.85 -1.98 0.53 115.31 121.23 3h0j h LEU 1797Ca 0.04 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3h0j h LEU 1797Cb 0.20 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3h0j h LEU 1797CO -0.29 -0.12 0.30 0.00 -0.34 0.00 0.00 178.44 177.98 3h0j h ALA 1798N 1.84 0.58 -0.72 1.25 0.00 -1.37 -0.66 119.26 120.19 3h0j h ALA 1798Ca 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.57 3h0j h ALA 1798Cb 1.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3h0j h ALA 1798CO -0.60 0.03 0.31 0.78 0.00 0.00 0.00 179.25 179.78 3h0j h GLY 1799N 0.62 1.13 0.95 0.00 0.00 0.85 -2.23 103.07 104.40 3h0j h GLY 1799Ca 0.17 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3h0j h GLY 1799CO -0.04 0.56 0.16 -2.08 0.00 0.00 0.00 176.54 175.14 3h0j h VAL 1800N 1.02 1.04 -0.70 4.60 2.07 -0.66 -0.62 116.25 122.99 3h0j h VAL 1800Ca 0.24 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3h0j h VAL 1800Cb 0.17 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3h0j h VAL 1800CO -0.02 0.06 0.39 -0.33 0.02 0.00 0.00 177.57 177.68 3h0j h GLU 1801N 0.32 0.68 -0.28 1.57 5.08 -0.93 0.15 114.58 121.17 3h0j h GLU 1801Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3h0j h GLU 1801Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3h0j h GLU 1801CO -0.04 0.45 0.18 0.87 -1.00 0.00 0.00 179.01 179.46 3h0j h LYS 1802N 0.70 0.37 0.13 2.33 1.57 -0.78 0.26 116.57 121.15 3h0j h LYS 1802Ca 0.32 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3h0j h LYS 1802Cb 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3h0j h LYS 1802CO -0.20 0.26 -0.29 0.82 -0.57 0.00 0.00 179.45 179.47 3h0j h ILE 1803N 0.37 0.36 -0.87 1.86 2.04 -0.25 0.44 117.51 121.45 3h0j h ILE 1803Ca 0.10 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.15 3h0j h ILE 1803Cb -0.02 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 3h0j h ILE 1803CO -0.02 0.00 0.58 0.58 0.00 0.00 0.00 178.15 179.29 3h0j h VAL 1804N -0.52 0.70 0.03 1.67 2.07 -0.39 0.69 116.25 120.50 3h0j h VAL 1804Ca 0.03 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3h0j h VAL 1804Cb 0.54 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3h0j h VAL 1804CO -0.17 0.07 -0.36 -0.08 0.02 0.00 0.00 177.57 177.06 3h0j h GLU 1805N 0.40 0.18 -0.67 1.57 4.81 0.69 -3.14 114.58 118.43 3h0j h GLU 1805Ca 0.45 -0.24 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3h0j h GLU 1805Cb 1.12 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 3h0j h GLU 1805CO -0.16 1.03 0.30 2.35 -0.73 0.00 0.00 179.01 181.80 3h0j h TRP 1806N -0.55 0.53 0.00 0.92 2.91 0.59 -1.10 115.95 119.26 3h0j h TRP 1806Ca -0.05 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3h0j h TRP 1806Cb 1.19 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.70 3h0j h TRP 1806CO 0.20 0.17 -0.04 0.52 -1.03 0.00 0.00 178.44 178.27 3h0j h MET 1807N 0.52 0.00 0.00 2.65 2.86 -0.96 -2.96 114.93 117.04 3h0j h MET 1807Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3h0j h MET 1807Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3h0j h MET 1807CO -0.28 0.04 0.00 -1.13 1.06 0.00 0.00 176.91 176.59 3h0j n SER 1808N -3.55 0.00 -0.00 1.22 3.41 -0.41 -1.13 113.62 113.15 3h0j n SER 1808Ca -0.02 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 3h0j n SER 1808Cb 0.14 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 3h0j n SER 1808CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h0j n TYR 1809N -1.37 0.00 -3.31 7.33 4.02 -1.12 -4.88 117.16 117.83 3h0j n TYR 1809Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.53 3h0j n TYR 1809Cb 0.04 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.24 3h0j n TYR 1809CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h0j s VAL 1810N -2.28 4.79 0.65 -0.72 1.01 -0.28 -4.47 120.40 119.09 3h0j s VAL 1810Ca 0.03 1.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 3h0j s VAL 1810Cb 0.09 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3h0j s VAL 1810CO 0.49 0.46 1.10 -2.65 0.00 0.00 0.00 175.10 174.50 3h0j n PRO 1811N 1.45 0.90 -0.34 2.72 -0.02 -1.26 -4.65 135.00 133.79 3h0j n PRO 1811Ca -0.09 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 3h0j n PRO 1811Cb 0.51 -2.33 0.33 0.00 -0.02 0.00 0.00 33.50 32.00 3h0j n PRO 1811CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h0j h ALA 1812N 0.34 1.66 -2.80 3.55 0.00 -1.88 -3.44 119.26 116.70 3h0j h ALA 1812Ca -0.49 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3h0j h ALA 1812Cb 1.35 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 3h0j h ALA 1812CO 0.51 -0.13 0.12 -1.59 0.00 0.00 0.00 179.25 178.16 3h0j s LYS 1813N -5.84 1.18 -0.06 0.00 -2.85 -1.26 -4.58 119.74 106.33 3h0j s LYS 1813Ca -0.11 -0.43 -0.41 0.00 -1.00 0.00 0.00 55.97 54.02 3h0j s LYS 1813Cb 0.25 0.54 -0.20 0.00 -2.06 0.00 0.00 37.83 36.37 3h0j s LYS 1813CO 0.80 -0.48 1.18 -2.13 0.10 0.00 0.00 175.35 174.81 3h0j n ARG 1814N -0.13 0.15 -0.96 1.78 0.63 0.05 -1.82 116.66 116.35 3h0j n ARG 1814Ca -0.17 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3h0j n ARG 1814Cb 0.63 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.97 3h0j n ARG 1814CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h0j n ASN 1815N 1.99 -2.19 -4.90 6.15 5.03 -1.26 -4.98 115.26 115.10 3h0j n ASN 1815Ca 0.21 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.38 3h0j n ASN 1815Cb 0.08 -0.83 -0.02 0.00 -1.02 0.00 0.00 39.78 37.98 3h0j n ASN 1815CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3h0j s MET 1816N -0.30 3.62 0.47 3.52 -1.94 -0.76 -5.02 119.30 118.90 3h0j s MET 1816Ca 0.00 0.15 -0.23 0.00 -1.71 0.00 0.00 55.69 53.90 3h0j s MET 1816Cb 0.00 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.26 3h0j s MET 1816CO 0.00 0.01 1.14 -2.30 -0.01 0.00 0.00 175.02 173.86 3h0j n PRO 1817N -1.56 1.52 -1.73 2.03 -0.02 -1.26 -4.77 135.00 129.20 3h0j n PRO 1817Ca -0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3h0j n PRO 1817Cb 0.55 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3h0j n PRO 1817CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3h0j n VAL 1818N -0.69 1.88 -2.13 -1.45 0.24 -1.26 -4.64 118.33 110.28 3h0j n VAL 1818Ca 0.09 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 3h0j n VAL 1818Cb 0.42 -1.75 -0.02 0.00 -1.47 0.00 0.00 33.84 31.01 3h0j n VAL 1818CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3h0j s PRO 1819N -1.80 3.63 0.21 7.34 0.04 -1.26 -4.94 135.00 138.21 3h0j s PRO 1819Ca 0.56 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 3h0j s PRO 1819Cb -0.53 -4.08 -0.08 0.00 0.04 0.00 0.00 34.50 29.85 3h0j s PRO 1819CO 0.61 -1.50 1.03 0.42 0.04 0.00 0.00 177.00 177.60 3h0j s ILE 1820N 5.72 3.93 -0.29 0.56 -1.09 -1.26 -4.39 121.20 124.38 3h0j s ILE 1820Ca 0.72 1.81 -0.02 0.00 -2.23 0.00 0.00 60.65 60.93 3h0j s ILE 1820Cb -0.22 -4.15 0.12 0.00 -1.58 0.00 0.00 42.46 36.62 3h0j s ILE 1820CO 0.31 0.38 0.22 -0.22 -1.23 0.00 0.00 174.94 174.40 3h0j s LEU 1821N -0.85 0.10 0.08 2.97 2.96 0.38 -4.84 118.68 119.49 3h0j s LEU 1821Ca 0.45 -0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 53.18 3h0j s LEU 1821Cb -0.28 0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.48 3h0j s LEU 1821CO 0.35 -0.41 0.63 -1.61 -1.32 0.00 0.00 176.35 173.99 3h0j s GLU 1822N 2.25 4.32 0.39 1.98 2.02 -1.26 -4.05 118.70 124.34 3h0j s GLU 1822Ca 0.09 0.85 0.04 0.00 0.02 0.00 0.00 54.97 55.97 3h0j s GLU 1822Cb -0.15 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 3h0j s GLU 1822CO -0.34 0.57 0.11 0.95 0.02 0.00 0.00 175.26 176.57 3h0j s THR 1823N -0.95 0.76 0.53 3.63 -4.23 -1.26 -5.02 115.64 109.09 3h0j s THR 1823Ca 0.31 -2.00 0.44 0.00 -1.18 0.00 0.00 61.69 59.27 3h0j s THR 1823Cb -0.20 -2.46 0.66 0.00 1.34 0.00 0.00 72.50 71.84 3h0j s THR 1823CO 0.21 0.00 1.61 0.11 -0.54 0.00 0.00 174.62 176.00 3h0j h LYS 1824N 1.87 0.01 -5.87 3.99 1.57 -1.98 -3.27 116.57 112.89 3h0j h LYS 1824Ca -0.37 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.79 3h0j h LYS 1824Cb 1.27 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.50 3h0j h LYS 1824CO 0.61 0.01 1.90 0.34 -0.57 0.00 0.00 179.45 181.74 3h0j s ASP 1825N -4.15 6.53 1.05 0.86 3.68 -1.26 -4.97 116.67 118.41 3h0j s ASP 1825Ca -0.06 -2.11 -0.14 0.00 2.13 0.00 0.00 52.55 52.38 3h0j s ASP 1825Cb 0.27 -2.58 0.14 0.00 -1.45 0.00 0.00 42.92 39.31 3h0j s ASP 1825CO 0.87 -1.48 0.60 1.07 0.13 0.00 0.00 175.17 176.36 3h0j n THR 1826N 6.69 0.00 0.08 1.71 5.66 -1.24 -4.70 114.28 122.49 3h0j n THR 1826Ca 0.45 -0.24 -0.11 0.00 -3.05 0.00 0.00 64.05 61.09 3h0j n THR 1826Cb 0.47 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 68.42 3h0j n THR 1826CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 3h0j h TRP 1827N -2.05 0.42 -0.88 1.09 5.08 -1.92 -3.42 115.95 114.27 3h0j h TRP 1827Ca -0.51 -0.24 -0.44 0.00 1.08 0.00 0.00 58.89 58.78 3h0j h TRP 1827Cb 1.31 -0.04 -0.07 0.00 -3.00 0.00 0.00 29.16 27.36 3h0j h TRP 1827CO 0.32 1.07 1.14 0.34 -1.28 0.00 0.00 178.44 180.04 3h0j s ASP 1828N -7.00 5.79 -0.04 0.11 3.68 -1.26 -4.44 116.67 113.52 3h0j s ASP 1828Ca -0.04 -1.14 -0.31 0.00 2.13 0.00 0.00 52.55 53.20 3h0j s ASP 1828Cb 0.09 -2.57 0.11 0.00 -1.45 0.00 0.00 42.92 39.11 3h0j s ASP 1828CO 0.85 -2.16 1.09 0.00 0.13 0.00 0.00 175.17 175.08 3h0j s ARG 1829N 5.99 0.62 0.62 4.34 1.70 -1.26 -5.13 118.95 125.83 3h0j s ARG 1829Ca 0.59 -0.29 -0.08 0.00 -0.47 0.00 0.00 55.73 55.49 3h0j s ARG 1829Cb -0.03 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3h0j s ARG 1829CO -0.04 -0.28 0.96 -2.14 -1.08 0.00 0.00 175.30 172.73 3h0j s PRO 1830N -2.77 2.96 -0.16 3.89 0.02 -1.26 -4.44 135.00 133.24 3h0j s PRO 1830Ca 0.10 0.19 -0.15 0.00 0.02 0.00 0.00 61.00 61.15 3h0j s PRO 1830Cb 0.00 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 3h0j s PRO 1830CO -0.04 -0.78 0.36 0.08 -0.33 0.00 0.00 177.00 176.29 3h0j s VAL 1831N -3.11 5.26 0.00 3.83 1.01 0.10 -4.92 120.40 122.57 3h0j s VAL 1831Ca 0.55 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3h0j s VAL 1831Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3h0j s VAL 1831CO 0.48 0.34 0.00 0.47 0.00 0.00 0.00 175.10 176.39 3h0j n ASP 1832N 3.79 0.00 -4.59 3.32 8.00 -0.65 -4.51 116.55 121.91 3h0j n ASP 1832Ca -0.10 0.00 -0.60 0.00 0.71 0.00 0.00 54.79 54.80 3h0j n ASP 1832Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 3h0j n ASP 1832CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3h0j n PHE 1833N -0.48 1.14 -4.02 1.24 7.35 -1.13 -4.95 117.46 116.61 3h0j n PHE 1833Ca 0.00 0.99 -0.20 0.00 -0.76 0.00 0.00 57.45 57.47 3h0j n PHE 1833Cb 0.00 -2.18 -0.17 0.00 0.35 0.00 0.00 39.48 37.48 3h0j n PHE 1833CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h0j s THR 1834N 1.07 0.45 0.66 -2.13 2.01 -1.26 -4.87 115.64 111.57 3h0j s THR 1834Ca 0.94 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 3h0j s THR 1834Cb -1.27 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 3h0j s THR 1834CO 0.63 0.22 1.16 -2.16 -0.69 0.00 0.00 174.62 173.78 3h0j s PRO 1835N 1.22 2.69 -0.06 4.92 0.04 -1.26 -5.04 135.00 137.51 3h0j s PRO 1835Ca -0.06 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.61 3h0j s PRO 1835Cb -0.14 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3h0j s PRO 1835CO -0.02 -1.38 -0.15 0.99 0.04 0.00 0.00 177.00 176.49 3h0j s THR 1836N -2.05 1.32 0.61 1.26 2.01 -1.26 -4.66 115.64 112.87 3h0j s THR 1836Ca 0.71 -0.62 0.29 0.00 0.31 0.00 0.00 61.69 62.38 3h0j s THR 1836Cb -0.25 -1.16 0.36 0.00 0.01 0.00 0.00 72.50 71.46 3h0j s THR 1836CO 0.40 0.39 1.94 0.78 -0.69 0.00 0.00 174.62 177.44 3h0j h ASN 1837N 6.59 0.00 -0.83 3.53 4.21 -1.96 -2.74 115.58 124.39 3h0j h ASN 1837Ca -0.31 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.62 3h0j h ASN 1837Cb 1.18 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 38.02 3h0j h ASN 1837CO 0.48 0.00 -0.15 -0.90 -1.29 0.00 0.00 177.43 175.57 3h0j n ASP 1838N -3.52 5.86 -3.38 5.81 5.68 -1.26 -4.94 116.55 120.79 3h0j n ASP 1838Ca 0.04 -3.77 0.02 0.00 -0.50 0.00 0.00 54.79 50.58 3h0j n ASP 1838Cb 0.53 -0.59 -0.04 0.00 -1.14 0.00 0.00 41.12 39.87 3h0j n ASP 1838CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3h0j s GLU 1839N -3.67 0.22 0.42 0.11 -1.05 -1.03 -5.15 118.70 108.54 3h0j s GLU 1839Ca 0.56 0.51 -0.25 0.00 -0.15 0.00 0.00 54.97 55.64 3h0j s GLU 1839Cb 0.45 0.27 -0.10 0.00 -0.44 0.00 0.00 34.13 34.31 3h0j s GLU 1839CO 0.02 -0.07 1.20 0.25 0.95 0.00 0.00 175.26 177.61 3h0j n THR 1840N 4.61 2.54 -4.15 1.83 -2.24 -1.26 -4.50 114.28 111.10 3h0j n THR 1840Ca -0.10 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3h0j n THR 1840Cb 0.54 -1.45 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 3h0j n THR 1840CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3h0j s TYR 1841N -1.21 0.97 -0.33 4.78 -0.85 -1.26 -5.06 117.35 114.39 3h0j s TYR 1841Ca 0.62 -1.22 -0.07 0.00 -0.52 0.00 0.00 57.07 55.87 3h0j s TYR 1841Cb -0.53 -0.39 0.03 0.00 0.38 0.00 0.00 41.96 41.46 3h0j s TYR 1841CO 0.58 -0.72 0.11 0.34 -1.52 0.00 0.00 175.55 174.33 3h0j s ASP 1842N -3.12 5.29 0.59 -0.18 3.68 -1.26 -4.58 116.67 117.09 3h0j s ASP 1842Ca 0.35 -1.01 0.30 0.00 2.13 0.00 0.00 52.55 54.32 3h0j s ASP 1842Cb 0.05 -1.88 1.24 0.00 -1.45 0.00 0.00 42.92 40.88 3h0j s ASP 1842CO 0.11 -0.29 1.58 1.62 0.13 0.00 0.00 175.17 178.32 3h0j h VAL 1843N 6.06 0.16 0.00 1.11 3.04 -1.99 0.67 116.25 125.30 3h0j h VAL 1843Ca -0.26 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 3h0j h VAL 1843Cb 1.10 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3h0j h VAL 1843CO 0.61 0.00 -0.01 0.03 -1.01 0.00 0.00 177.57 177.19 3h0j h ARG 1844N 0.00 0.00 -0.23 4.17 3.08 -1.93 -1.21 114.38 118.26 3h0j h ARG 1844Ca 0.43 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.42 3h0j h ARG 1844Cb 2.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.35 3h0j h ARG 1844CO -0.00 0.01 -0.10 -1.49 -1.07 0.00 0.00 179.97 177.32 3h0j h TRP 1845N 0.00 0.54 0.00 3.04 6.55 0.15 -0.16 115.95 126.07 3h0j h TRP 1845Ca -0.00 -0.13 -0.02 0.00 0.95 0.00 0.00 58.89 59.69 3h0j h TRP 1845Cb 0.02 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 3h0j h TRP 1845CO 0.00 0.73 -0.11 0.52 -1.05 0.00 0.00 178.44 178.53 3h0j h MET 1846N 0.19 0.00 0.00 0.49 2.86 -1.36 0.23 114.93 117.33 3h0j h MET 1846Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3h0j h MET 1846Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3h0j h MET 1846CO 0.03 0.11 -0.00 0.82 1.06 0.00 0.00 176.91 178.93 3h0j h ILE 1847N 0.00 0.00 -0.52 -1.22 2.04 -1.12 0.22 117.51 116.91 3h0j h ILE 1847Ca -0.00 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3h0j h ILE 1847Cb 0.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3h0j h ILE 1847CO 0.01 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.32 3h0j n GLU 1848N -4.26 3.09 0.00 2.37 0.28 -0.10 -1.22 120.64 120.81 3h0j n GLU 1848Ca -0.00 -2.53 0.00 0.00 -0.16 0.00 0.00 57.16 54.47 3h0j n GLU 1848Cb 0.00 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.28 3h0j n GLU 1848CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h0j n GLY 1849N 0.85 -1.63 2.95 -1.84 0.00 0.79 -4.33 105.19 101.97 3h0j n GLY 1849Ca 0.20 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 3h0j n GLY 1849CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h0j s ARG 1850N -1.84 0.39 -0.12 1.61 3.52 0.06 -4.40 118.95 118.17 3h0j s ARG 1850Ca 0.00 -0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.16 3h0j s ARG 1850Cb 0.00 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.99 3h0j s ARG 1850CO 0.00 0.09 0.91 -2.00 -0.81 0.00 0.00 175.30 173.50 3h0j s GLU 1851N -0.06 4.39 0.37 5.12 2.56 -1.26 -1.14 118.70 128.68 3h0j s GLU 1851Ca 0.01 1.21 0.08 0.00 0.00 0.00 0.00 54.97 56.28 3h0j s GLU 1851Cb -0.02 -3.54 -0.07 0.00 2.00 0.00 0.00 34.13 32.50 3h0j s GLU 1851CO -0.00 -0.27 -0.03 0.99 -0.56 0.00 0.00 175.26 175.39 3h0j s THR 1852N 1.88 2.18 0.21 -1.70 2.01 0.42 -4.97 115.64 115.67 3h0j s THR 1852Ca 0.44 -2.08 0.10 0.00 0.31 0.00 0.00 61.69 60.46 3h0j s THR 1852Cb -0.18 -2.82 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 3h0j s THR 1852CO 0.17 -0.11 1.52 -0.08 -0.69 0.00 0.00 174.62 175.43 3h0j h GLU 1853N 1.88 0.00 -0.93 4.92 4.81 -2.03 -2.94 114.58 120.29 3h0j h GLU 1853Ca -0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.60 3h0j h GLU 1853Cb 1.25 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.51 3h0j h GLU 1853CO 0.74 0.71 0.25 -1.13 -0.73 0.00 0.00 179.01 178.86 3h0j n SER 1854N -3.64 3.49 0.00 1.04 3.41 -1.26 -5.00 113.62 111.65 3h0j n SER 1854Ca -0.01 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 3h0j n SER 1854Cb 0.71 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3h0j n SER 1854CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0j n GLY 1855N -0.18 -1.12 3.75 5.00 0.00 -1.11 -5.02 105.19 106.51 3h0j n GLY 1855Ca 0.28 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 3h0j n GLY 1855CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h0j s PHE 1856N -0.86 3.45 -0.30 1.61 5.36 -1.26 -0.44 117.98 125.53 3h0j s PHE 1856Ca 0.00 0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 56.30 3h0j s PHE 1856Cb 0.00 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 3h0j s PHE 1856CO 0.00 0.33 0.15 -1.21 -1.46 0.00 0.00 175.22 173.02 3h0j s GLU 1857N 0.22 3.45 0.46 10.12 2.02 -0.29 -4.95 118.70 129.73 3h0j s GLU 1857Ca 0.11 -0.64 -0.24 0.00 0.02 0.00 0.00 54.97 54.22 3h0j s GLU 1857Cb -0.12 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 3h0j s GLU 1857CO 0.00 -0.36 1.29 0.71 0.02 0.00 0.00 175.26 176.92 3h0j s TYR 1858N 1.63 2.68 0.00 1.61 1.51 -1.26 -0.76 117.35 122.76 3h0j s TYR 1858Ca 0.05 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 3h0j s TYR 1858Cb -0.17 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 38.05 3h0j s TYR 1858CO 0.06 -2.18 0.00 0.41 -1.11 0.00 0.00 175.55 172.74 3h0j n GLY 1859N 0.62 1.09 0.15 0.71 0.00 -1.26 -1.64 105.19 104.85 3h0j n GLY 1859Ca 0.06 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 3h0j n GLY 1859CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h0j h LEU 1860N 0.00 0.28-10.24 0.99 5.85 -0.45 -3.43 115.31 108.31 3h0j h LEU 1860Ca 0.00 -0.20 -0.47 0.00 0.84 0.00 0.00 57.88 58.05 3h0j h LEU 1860Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3h0j h LEU 1860CO 0.00 0.94 -0.35 -0.36 -0.34 0.00 0.00 178.44 178.34 3h0j s PHE 1861N -3.44 2.73 0.25 1.25 0.40 -0.35 -4.71 117.98 114.10 3h0j s PHE 1861Ca -0.03 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 3h0j s PHE 1861Cb 0.11 -2.23 -0.14 0.00 0.51 0.00 0.00 43.02 41.27 3h0j s PHE 1861CO 0.82 -0.20 1.26 -0.25 0.70 0.00 0.00 175.22 177.55 3h0j n ASP 1862N -1.63 2.19 -4.68 1.36 10.43 0.91 -4.76 116.55 120.38 3h0j n ASP 1862Ca 0.05 1.16 -0.45 0.00 2.57 0.00 0.00 54.79 58.11 3h0j n ASP 1862Cb 0.61 -1.37 -0.04 0.00 1.84 0.00 0.00 41.12 42.16 3h0j n ASP 1862CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3h0j n LYS 1863N 1.48 2.26 -1.67 -1.24 4.81 -1.26 -2.21 118.16 120.33 3h0j n LYS 1863Ca 0.11 0.82 -0.15 0.00 -0.87 0.00 0.00 58.31 58.21 3h0j n LYS 1863Cb 0.31 -2.61 -0.05 0.00 0.02 0.00 0.00 35.03 32.70 3h0j n LYS 1863CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h0j n GLY 1864N 3.60 1.07 0.63 3.14 0.00 -1.26 -4.88 105.19 107.49 3h0j n GLY 1864Ca 0.17 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3h0j n GLY 1864CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h0j n SER 1865N -0.59 2.29 -4.65 1.61 3.41 -0.94 -4.95 113.62 109.80 3h0j n SER 1865Ca -0.16 -1.64 -0.43 0.00 -0.26 0.00 0.00 58.87 56.38 3h0j n SER 1865Cb 0.54 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3h0j n SER 1865CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3h0j s PHE 1866N -1.56 2.96 -0.57 7.33 5.99 -1.26 -3.85 117.98 127.02 3h0j s PHE 1866Ca 0.19 1.11 0.02 0.00 0.00 0.00 0.00 56.93 58.25 3h0j s PHE 1866Cb 0.14 -3.56 0.14 0.00 0.00 0.00 0.00 43.02 39.75 3h0j s PHE 1866CO 0.26 -1.32 0.34 0.12 -0.00 0.00 0.00 175.22 174.62 3h0j s PHE 1867N 3.63 3.28 0.39 10.12 5.36 0.80 -4.95 117.98 136.60 3h0j s PHE 1867Ca 0.51 -3.06 -0.26 0.00 -0.96 0.00 0.00 56.93 53.17 3h0j s PHE 1867Cb -0.18 -2.93 -0.09 0.00 -0.34 0.00 0.00 43.02 39.48 3h0j s PHE 1867CO 0.14 -0.76 1.17 -2.00 -1.46 0.00 0.00 175.22 172.32 3h0j s GLU 1868N -0.32 4.09 0.08 10.12 2.12 -1.26 -1.12 118.70 132.40 3h0j s GLU 1868Ca 0.18 1.85 0.01 0.00 0.36 0.00 0.00 54.97 57.36 3h0j s GLU 1868Cb -0.23 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 3h0j s GLU 1868CO -0.02 -0.29 -0.05 0.95 -0.54 0.00 0.00 175.26 175.31 3h0j s THR 1869N -1.40 0.52 -1.55 -1.70 -4.23 -0.23 -4.81 115.64 102.25 3h0j s THR 1869Ca 0.56 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.21 3h0j s THR 1869Cb -0.31 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3h0j s THR 1869CO 0.39 -0.89 0.35 0.18 -0.54 0.00 0.00 174.62 174.11 3h0j n LEU 1870N 0.11 -2.34 0.21 4.79 4.77 -0.27 -4.41 117.00 119.85 3h0j n LEU 1870Ca -0.13 -0.17 0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3h0j n LEU 1870Cb 0.60 -2.82 0.60 0.00 -2.33 0.00 0.00 43.42 39.47 3h0j n LEU 1870CO 0.29 0.05 0.93 0.77 -1.33 0.00 0.00 177.39 178.10 3h0j h SER 1871N -0.80 0.00 0.29 -1.43 4.64 -1.87 -3.07 113.55 111.31 3h0j h SER 1871Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h0j h SER 1871Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3h0j h SER 1871CO 0.54 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 176.72 3h0j n GLY 1872N 0.02 -0.79 3.35 -0.77 0.00 -1.25 -4.88 105.19 100.87 3h0j n GLY 1872Ca 0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3h0j n GLY 1872CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h0j s TRP 1873N -2.68 1.92 -0.63 1.61 -0.00 -1.16 -4.08 118.94 113.92 3h0j s TRP 1873Ca 0.19 -0.44 -0.05 0.00 -0.00 0.00 0.00 56.10 55.80 3h0j s TRP 1873Cb 0.18 -0.97 0.01 0.00 -0.00 0.00 0.00 33.47 32.69 3h0j s TRP 1873CO 0.60 0.35 0.43 0.00 -0.00 0.00 0.00 176.95 178.33 3h0j n ALA 1874N 0.38 -2.25 1.13 5.86 0.00 -1.26 -4.77 120.51 119.60 3h0j n ALA 1874Ca -0.14 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.08 3h0j n ALA 1874Cb 0.56 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 19.39 3h0j n ALA 1874CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h0j n LYS 1875N -2.35 0.57 0.16 0.00 5.02 -1.26 -3.08 118.16 117.21 3h0j n LYS 1875Ca -0.20 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.10 3h0j n LYS 1875Cb 0.47 -1.09 0.24 0.00 -0.02 0.00 0.00 35.03 34.63 3h0j n LYS 1875CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3h0j h GLY 1876N 3.30 0.00 -3.53 0.72 0.00 -1.90 -3.43 103.07 98.22 3h0j h GLY 1876Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3h0j h GLY 1876CO 0.00 0.00 -0.84 -1.34 0.00 0.00 0.00 176.54 174.36 3h0j s VAL 1877N -3.70 2.36 -0.18 4.60 -7.23 -1.18 -1.14 120.40 113.93 3h0j s VAL 1877Ca -0.01 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.26 3h0j s VAL 1877Cb 0.13 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3h0j s VAL 1877CO 0.74 -0.02 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.69 3h0j s VAL 1878N -1.40 2.77 0.04 1.32 1.01 0.55 -4.87 120.40 119.83 3h0j s VAL 1878Ca 0.18 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3h0j s VAL 1878Cb -0.09 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3h0j s VAL 1878CO 0.08 0.49 -0.17 0.68 0.00 0.00 0.00 175.10 176.19 3h0j s VAL 1879N 1.15 1.34 -0.06 2.92 -7.23 -1.26 0.20 120.40 117.46 3h0j s VAL 1879Ca 0.01 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 3h0j s VAL 1879Cb -0.14 -1.20 0.10 0.00 0.56 0.00 0.00 36.38 35.70 3h0j s VAL 1879CO -0.04 0.07 1.33 0.61 -0.31 0.00 0.00 175.10 176.75 3h0j n GLY 1880N 1.84 0.15 3.98 2.32 0.00 -0.59 -1.07 105.19 111.82 3h0j n GLY 1880Ca -0.18 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 3h0j n GLY 1880CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h0j s ARG 1881N -2.01 3.30 0.18 1.61 1.81 -0.28 0.34 118.95 123.91 3h0j s ARG 1881Ca 0.31 -0.87 -0.23 0.00 -1.72 0.00 0.00 55.73 53.22 3h0j s ARG 1881Cb -0.00 -2.86 0.07 0.00 -0.45 0.00 0.00 34.95 31.70 3h0j s ARG 1881CO -0.02 0.27 0.97 0.00 -0.68 0.00 0.00 175.30 175.85 3h0j s ALA 1882N -2.06 -1.57 -0.01 2.13 0.00 -0.60 -0.14 121.76 119.51 3h0j s ALA 1882Ca 0.39 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.33 3h0j s ALA 1882Cb -0.09 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 3h0j s ALA 1882CO 0.30 -1.05 -0.20 1.03 0.00 0.00 0.00 175.76 175.84 3h0j s ARG 1883N -2.87 1.56 -0.52 0.00 0.52 -1.26 -0.96 118.95 115.43 3h0j s ARG 1883Ca 0.15 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3h0j s ARG 1883Cb -0.02 -1.54 0.13 0.00 0.52 0.00 0.00 34.95 34.05 3h0j s ARG 1883CO 0.04 0.42 0.27 -1.17 0.02 0.00 0.00 175.30 174.88 3h0j s LEU 1884N -0.58 4.55 -1.53 2.53 0.20 0.31 -0.06 118.68 124.11 3h0j s LEU 1884Ca 0.08 -2.89 0.00 0.00 0.69 0.00 0.00 54.13 52.01 3h0j s LEU 1884Cb -0.08 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 3h0j s LEU 1884CO -0.00 -0.28 0.00 0.61 -0.29 0.00 0.00 176.35 176.39 3h0j n GLY 1885N 3.31 0.22 0.00 7.98 0.00 -1.26 -2.54 105.19 112.90 3h0j n GLY 1885Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3h0j n GLY 1885CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0j n GLY 1886N -0.99 1.77 3.65 -0.02 0.00 -1.26 -4.75 105.19 103.60 3h0j n GLY 1886Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3h0j n GLY 1886CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0j s ILE 1887N -2.02 4.36 0.27 -0.61 1.01 -1.05 -0.47 121.20 122.69 3h0j s ILE 1887Ca 0.00 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 3h0j s ILE 1887Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3h0j s ILE 1887CO 0.00 -0.23 0.99 -2.16 0.00 0.00 0.00 174.94 173.54 3h0j s PRO 1888N 3.57 4.72 0.17 2.79 0.04 -1.26 -0.53 135.00 144.49 3h0j s PRO 1888Ca 0.52 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 3h0j s PRO 1888Cb -0.19 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.28 3h0j s PRO 1888CO 0.14 0.36 0.59 -0.48 0.04 0.00 0.00 177.00 177.65 3h0j s LEU 1889N -1.48 -0.43 0.16 -3.56 2.34 -0.13 -4.46 118.68 111.12 3h0j s LEU 1889Ca 0.44 -0.09 -0.19 0.00 0.06 0.00 0.00 54.13 54.35 3h0j s LEU 1889Cb -0.26 2.52 -0.08 0.00 -0.56 0.00 0.00 46.19 47.81 3h0j s LEU 1889CO 0.33 -0.99 0.66 -0.83 -1.06 0.00 0.00 176.35 174.46 3h0j s GLY 1890N -2.77 2.64 -0.02 -3.48 0.00 -0.42 -1.56 107.32 101.71 3h0j s GLY 1890Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.89 3h0j s GLY 1890CO -0.11 0.48 -0.16 0.14 0.00 0.00 0.00 173.10 173.45 3h0j s VAL 1891N -1.36 1.31 -0.10 1.40 1.01 0.15 -0.83 120.40 121.99 3h0j s VAL 1891Ca 0.38 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3h0j s VAL 1891Cb -0.18 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3h0j s VAL 1891CO 0.21 0.38 -0.07 -0.63 0.00 0.00 0.00 175.10 174.99 3h0j s ILE 1892N -0.22 0.90 0.22 2.22 1.01 -0.87 -1.54 121.20 122.93 3h0j s ILE 1892Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.52 3h0j s ILE 1892Cb -0.08 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 3h0j s ILE 1892CO 0.00 0.34 -0.15 -0.83 0.00 0.00 0.00 174.94 174.30 3h0j s GLY 1893N 1.56 1.52 -0.21 6.18 0.00 0.13 -0.82 107.32 115.68 3h0j s GLY 1893Ca 0.01 -1.71 -0.10 0.00 0.00 0.00 0.00 44.72 42.93 3h0j s GLY 1893CO -0.06 -1.79 0.13 0.14 0.00 0.00 0.00 173.10 171.52 3h0j s VAL 1894N -2.90 5.29 -0.50 1.40 1.01 -1.26 -0.33 120.40 123.10 3h0j s VAL 1894Ca 0.24 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 3h0j s VAL 1894Cb -0.01 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3h0j s VAL 1894CO 0.08 0.41 1.03 -0.70 0.00 0.00 0.00 175.10 175.92 3h0j s GLU 1895N 0.59 3.53 0.45 2.72 2.56 -0.29 -4.66 118.70 123.60 3h0j s GLU 1895Ca 0.07 0.19 0.25 0.00 0.00 0.00 0.00 54.97 55.48 3h0j s GLU 1895Cb -0.12 -3.96 0.93 0.00 2.00 0.00 0.00 34.13 32.98 3h0j s GLU 1895CO 0.00 -1.40 1.83 1.79 -0.56 0.00 0.00 175.26 176.92 3h0j h THR 1896N 6.12 0.45 -4.02 -1.70 1.35 -1.86 -3.29 112.91 109.96 3h0j h THR 1896Ca -0.24 -1.06 -0.47 0.00 -0.55 0.00 0.00 66.41 64.09 3h0j h THR 1896Cb 1.07 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3h0j h THR 1896CO 1.09 0.18 0.39 -0.13 -0.25 0.00 0.00 175.52 176.80 3h0j s ARG 1897N -3.61 4.03 0.18 4.72 0.52 -1.26 -4.25 118.95 119.28 3h0j s ARG 1897Ca 0.01 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 56.31 3h0j s ARG 1897Cb 0.10 -2.31 -0.08 0.00 0.52 0.00 0.00 34.95 33.18 3h0j s ARG 1897CO 0.63 -0.23 1.19 0.99 0.02 0.00 0.00 175.30 177.89 3h0j s THR 1898N -1.87 3.63 -0.09 0.02 2.01 -1.26 -4.16 115.64 113.92 3h0j s THR 1898Ca 0.62 1.36 -0.17 0.00 0.31 0.00 0.00 61.69 63.81 3h0j s THR 1898Cb -0.18 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3h0j s THR 1898CO 0.22 0.21 0.44 -0.69 -0.69 0.00 0.00 174.62 174.11 3h0j s VAL 1899N 0.01 5.14 -1.10 3.82 1.01 -0.02 -4.94 120.40 124.32 3h0j s VAL 1899Ca 0.53 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 3h0j s VAL 1899Cb -0.32 -3.77 0.29 0.00 0.00 0.00 0.00 36.38 32.58 3h0j s VAL 1899CO 0.36 0.41 1.23 -0.62 0.00 0.00 0.00 175.10 176.48 3h0j n GLU 1900N 3.12 3.84 -2.22 2.72 -0.58 -1.26 -1.07 120.64 125.18 3h0j n GLU 1900Ca -0.10 -4.49 -0.43 0.00 -0.42 0.00 0.00 57.16 51.72 3h0j n GLU 1900Cb 0.52 -2.53 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 3h0j n GLU 1900CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3h0j s ASN 1901N 0.22 6.41 -0.40 1.62 3.04 0.38 -4.83 114.94 121.38 3h0j s ASN 1901Ca 0.31 1.36 -0.06 0.00 0.04 0.00 0.00 52.86 54.50 3h0j s ASN 1901Cb -0.05 -2.53 0.08 0.00 -1.54 0.00 0.00 41.25 37.21 3h0j s ASN 1901CO -0.02 -1.28 0.21 -0.22 -3.04 0.00 0.00 177.10 172.75 3h0j s LEU 1902N 5.17 5.00 -0.15 3.21 2.96 -1.26 0.18 118.68 133.79 3h0j s LEU 1902Ca 0.67 -1.62 -0.21 0.00 -0.22 0.00 0.00 54.13 52.74 3h0j s LEU 1902Cb -0.21 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3h0j s LEU 1902CO 0.28 -0.50 0.64 -0.63 -1.32 0.00 0.00 176.35 174.83 3h0j s ILE 1903N 1.32 5.04 0.48 6.68 1.09 0.45 -4.95 121.20 131.32 3h0j s ILE 1903Ca 0.03 1.26 -0.21 0.00 -1.10 0.00 0.00 60.65 60.63 3h0j s ILE 1903Cb -0.23 -3.97 -0.08 0.00 -1.06 0.00 0.00 42.46 37.12 3h0j s ILE 1903CO -0.00 0.17 1.05 -2.16 -0.10 0.00 0.00 174.94 173.89 3h0j s PRO 1904N 1.48 3.81 0.53 2.79 0.04 -1.26 -0.44 135.00 141.95 3h0j s PRO 1904Ca 0.31 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 3h0j s PRO 1904Cb -0.16 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 3h0j s PRO 1904CO 0.12 -0.43 1.15 0.00 0.04 0.00 0.00 177.00 177.89 3h0j s ALA 1905N -1.93 2.73 -0.46 8.56 0.00 -1.26 -4.75 121.76 124.65 3h0j s ALA 1905Ca 0.67 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 3h0j s ALA 1905Cb -0.17 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3h0j s ALA 1905CO 0.21 -0.80 1.12 0.34 0.00 0.00 0.00 175.76 176.63 3h0j s ASP 1906N -1.67 6.66 0.24 0.00 3.68 -1.26 -4.93 116.67 119.39 3h0j s ASP 1906Ca 0.72 0.52 -0.05 0.00 2.13 0.00 0.00 52.55 55.87 3h0j s ASP 1906Cb -0.26 -2.54 0.38 0.00 -1.45 0.00 0.00 42.92 39.05 3h0j s ASP 1906CO 0.29 -1.20 1.80 -0.65 0.13 0.00 0.00 175.17 175.54 3h0j h PRO 1907N 9.08 0.69 0.00 4.34 0.11 -1.94 -0.45 132.00 143.83 3h0j h PRO 1907Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h0j h PRO 1907Cb 1.06 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3h0j h PRO 1907CO 1.11 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 179.36 3h0j n ALA 1908N -2.39 1.77 -3.62 -0.75 0.00 -1.26 -4.32 120.51 109.94 3h0j n ALA 1908Ca 0.13 -0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 3h0j n ALA 1908Cb 0.29 -1.08 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 3h0j n ALA 1908CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h0j s ASN 1909N -1.92 3.10 0.56 0.00 3.04 -0.18 -5.01 114.94 114.53 3h0j s ASN 1909Ca 0.08 -1.03 0.32 0.00 0.04 0.00 0.00 52.86 52.27 3h0j s ASN 1909Cb 0.04 -0.43 1.47 0.00 -1.54 0.00 0.00 41.25 40.79 3h0j s ASN 1909CO 0.06 -0.38 1.84 -0.65 -3.04 0.00 0.00 177.10 174.92 3h0j h PRO 1910N 8.34 0.00 0.27 0.43 0.11 -1.79 -1.90 132.00 137.46 3h0j h PRO 1910Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3h0j h PRO 1910Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h0j h PRO 1910CO 0.38 0.00 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.13 3h0j h ASN 1911N 0.00 -0.31 -0.39 -2.05 4.21 -1.95 -3.47 115.58 111.63 3h0j h ASN 1911Ca 0.41 -0.13 -0.29 0.00 1.21 0.00 0.00 56.30 57.50 3h0j h ASN 1911Cb 1.79 0.08 0.03 0.00 -1.12 0.00 0.00 38.32 39.10 3h0j h ASN 1911CO -0.00 0.18 -0.06 -0.24 -1.29 0.00 0.00 177.43 176.02 3h0j n SER 1912N -5.02 -0.17 -3.82 5.81 2.88 -0.72 -4.99 113.62 107.59 3h0j n SER 1912Ca -0.06 0.45 -0.12 0.00 -1.33 0.00 0.00 58.87 57.80 3h0j n SER 1912Cb 0.21 -0.36 -0.12 0.00 -0.75 0.00 0.00 64.21 63.19 3h0j n SER 1912CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0j s ALA 1913N -0.14 -0.45 0.28 -1.46 0.00 -1.26 -4.65 121.76 114.08 3h0j s ALA 1913Ca 0.32 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 3h0j s ALA 1913Cb -0.45 -0.20 -0.13 0.00 0.00 0.00 0.00 23.12 22.34 3h0j s ALA 1913CO 0.22 -0.12 1.30 -0.85 0.00 0.00 0.00 175.76 176.31 3h0j n GLU 1914N 2.58 1.96 -4.71 0.00 0.28 -1.26 -4.53 120.64 114.96 3h0j n GLU 1914Ca -0.15 0.69 -0.31 0.00 -0.16 0.00 0.00 57.16 57.23 3h0j n GLU 1914Cb 0.58 -2.28 -0.13 0.00 1.43 0.00 0.00 31.44 31.04 3h0j n GLU 1914CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3h0j s THR 1915N -0.59 2.63 -0.14 3.84 2.01 0.41 -4.92 115.64 118.88 3h0j s THR 1915Ca 0.62 -1.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 3h0j s THR 1915Cb -0.63 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3h0j s THR 1915CO 0.56 0.34 0.04 -0.22 -0.69 0.00 0.00 174.62 174.65 3h0j s LEU 1916N -1.41 3.74 -0.19 4.42 2.96 -1.26 -0.41 118.68 126.52 3h0j s LEU 1916Ca 0.14 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3h0j s LEU 1916Cb -0.10 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.71 3h0j s LEU 1916CO 0.05 0.27 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.53 3h0j s ILE 1917N -0.24 2.07 -0.63 6.68 -1.09 0.47 -4.98 121.20 123.48 3h0j s ILE 1917Ca 0.07 -1.04 -0.23 0.00 -2.23 0.00 0.00 60.65 57.21 3h0j s ILE 1917Cb -0.12 -1.92 0.06 0.00 -1.58 0.00 0.00 42.46 38.90 3h0j s ILE 1917CO 0.02 0.45 0.98 -1.10 -1.23 0.00 0.00 174.94 174.06 3h0j s GLN 1918N 1.26 3.19 -0.54 2.79 -1.52 -1.26 -0.47 119.66 123.12 3h0j s GLN 1918Ca 0.03 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 52.69 3h0j s GLN 1918Cb -0.14 -4.16 0.12 0.00 -0.22 0.00 0.00 33.01 28.61 3h0j s GLN 1918CO -0.12 -1.73 0.50 -1.21 -0.25 0.00 0.00 175.29 172.48 3h0j s GLU 1919N 4.17 2.99 0.41 2.91 2.02 -0.24 -4.96 118.70 126.00 3h0j s GLU 1919Ca 0.26 -1.67 -0.27 0.00 0.02 0.00 0.00 54.97 53.32 3h0j s GLU 1919Cb -0.15 -4.29 -0.09 0.00 0.10 0.00 0.00 34.13 29.70 3h0j s GLU 1919CO 0.14 -1.32 1.39 -1.25 0.02 0.00 0.00 175.26 174.24 3h0j s PRO 1920N 1.66 3.95 0.73 0.39 0.04 -1.26 -0.84 135.00 139.67 3h0j s PRO 1920Ca 0.03 2.36 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 3h0j s PRO 1920Cb -0.29 -2.81 0.04 0.00 0.04 0.00 0.00 34.50 31.47 3h0j s PRO 1920CO 0.03 -0.58 1.16 0.20 0.04 0.00 0.00 177.00 177.85 3h0j s GLY 1921N -0.47 2.14 -1.83 0.56 0.00 -1.26 -3.54 107.32 102.91 3h0j s GLY 1921Ca 0.56 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.96 3h0j s GLY 1921CO 0.56 1.06 0.00 -1.06 0.00 0.00 0.00 173.10 173.66 3h0j n GLN 1922N -2.88 -1.42 -4.09 2.90 6.02 -1.24 -4.89 117.38 111.77 3h0j n GLN 1922Ca 0.12 1.05 -0.25 0.00 -0.01 0.00 0.00 57.00 57.91 3h0j n GLN 1922Cb 0.51 -5.48 -0.17 0.00 1.02 0.00 0.00 30.24 26.13 3h0j n GLN 1922CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h0j s VAL 1923N -2.82 0.91 0.28 5.09 1.01 -1.23 0.19 120.40 123.83 3h0j s VAL 1923Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3h0j s VAL 1923Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 3h0j s VAL 1923CO 0.00 0.33 1.11 0.26 0.00 0.00 0.00 175.10 176.81 3h0j s TRP 1924N 1.37 3.54 0.26 5.22 0.51 0.76 -4.87 118.94 125.74 3h0j s TRP 1924Ca -0.02 1.68 0.08 0.00 -2.12 0.00 0.00 56.10 55.72 3h0j s TRP 1924Cb -0.14 -3.31 -0.05 0.00 -0.81 0.00 0.00 33.47 29.16 3h0j s TRP 1924CO -0.04 -0.64 -0.11 -1.01 -0.51 0.00 0.00 176.95 174.65 3h0j s HIS 1925N -1.13 1.94 0.29 -1.98 3.76 -1.26 -0.73 115.29 116.17 3h0j s HIS 1925Ca 0.45 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 3h0j s HIS 1925Cb -0.32 -1.01 0.73 0.00 1.11 0.00 0.00 32.58 33.09 3h0j s HIS 1925CO 0.42 0.38 1.67 -1.00 -0.85 0.00 0.00 174.74 175.36 3h0j h PRO 1926N 2.36 0.31 -0.31 8.40 0.13 -1.87 0.26 132.00 141.27 3h0j h PRO 1926Ca -0.39 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 3h0j h PRO 1926Cb 1.23 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h0j h PRO 1926CO 0.65 0.20 -0.50 -2.95 -0.23 0.00 0.00 178.00 175.17 3h0j h ASN 1927N 0.32 0.96 1.12 1.44 -1.07 -1.96 -1.51 115.58 114.88 3h0j h ASN 1927Ca 0.56 -0.49 -0.05 0.00 0.07 0.00 0.00 56.30 56.39 3h0j h ASN 1927Cb 1.11 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 37.08 3h0j h ASN 1927CO -0.58 1.28 -0.26 0.77 0.07 0.00 0.00 177.43 178.72 3h0j h SER 1928N 0.68 0.00 -0.15 6.14 4.64 -1.62 -1.21 113.55 122.03 3h0j h SER 1928Ca 0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 3h0j h SER 1928Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3h0j h SER 1928CO 0.11 0.26 -0.49 0.00 -0.87 0.00 0.00 176.83 175.83 3h0j h ALA 1929N 1.74 0.26 0.09 5.18 0.00 -0.40 -2.51 119.26 123.62 3h0j h ALA 1929Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3h0j h ALA 1929Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3h0j h ALA 1929CO 0.03 0.43 -0.10 0.35 0.00 0.00 0.00 179.25 179.96 3h0j h PHE 1930N 0.24 -0.26 -0.68 0.00 -0.00 -1.00 -2.14 116.94 113.10 3h0j h PHE 1930Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.97 58.02 3h0j h PHE 1930Cb 1.12 0.10 -0.06 0.00 -0.00 0.00 0.00 35.95 37.12 3h0j h PHE 1930CO 0.10 -0.16 0.37 -0.22 -0.00 0.00 0.00 178.31 178.40 3h0j h LYS 1931N -0.22 0.65 -0.08 1.11 3.64 -1.26 0.12 116.57 120.53 3h0j h LYS 1931Ca 0.01 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3h0j h LYS 1931Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3h0j h LYS 1931CO -0.04 0.43 0.03 1.15 -2.27 0.00 0.00 179.45 178.75 3h0j h THR 1932N 0.67 0.99 -0.62 1.00 2.02 -1.19 0.53 112.91 116.31 3h0j h THR 1932Ca 0.31 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 3h0j h THR 1932Cb 0.23 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3h0j h THR 1932CO -0.20 0.01 0.34 0.00 0.37 0.00 0.00 175.52 176.04 3h0j h ALA 1933N 1.05 0.79 -0.65 6.16 0.00 -0.89 -1.61 119.26 124.10 3h0j h ALA 1933Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h0j h ALA 1933Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3h0j h ALA 1933CO -0.03 0.31 0.38 0.37 0.00 0.00 0.00 179.25 180.28 3h0j h GLN 1934N 0.84 0.90 0.27 0.00 5.75 -0.35 -1.36 115.11 121.16 3h0j h GLN 1934Ca 0.22 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3h0j h GLN 1934Cb 0.05 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.41 3h0j h GLN 1934CO -0.03 0.65 -0.13 0.00 -2.65 0.00 0.00 178.83 176.67 3h0j h ALA 1935N 1.19 -0.36 -0.48 3.38 0.00 0.49 -0.88 119.26 122.60 3h0j h ALA 1935Ca 0.23 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3h0j h ALA 1935Cb -0.00 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3h0j h ALA 1935CO -0.04 -0.70 0.11 0.82 0.00 0.00 0.00 179.25 179.44 3h0j h ILE 1936N -0.38 0.75 -0.78 0.00 2.04 -1.09 0.37 117.51 118.42 3h0j h ILE 1936Ca -0.04 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3h0j h ILE 1936Cb 0.29 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3h0j h ILE 1936CO 0.06 0.05 0.30 0.78 0.00 0.00 0.00 178.15 179.34 3h0j h ASN 1937N 0.25 1.09 1.28 1.72 2.35 -1.08 -0.80 115.58 120.40 3h0j h ASN 1937Ca 0.24 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h0j h ASN 1937Cb 0.31 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3h0j h ASN 1937CO -0.30 0.98 0.00 0.44 -1.65 0.00 0.00 177.43 176.90 3h0j h ASP 1938N 1.15 0.00 0.51 5.81 3.32 -0.48 -0.46 116.42 126.26 3h0j h ASP 1938Ca 0.26 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.04 3h0j h ASP 1938Cb 0.24 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.79 3h0j h ASP 1938CO -0.02 0.00 -1.18 -0.26 -1.72 0.00 0.00 179.24 176.06 3h0j h PHE 1939N 0.00 0.58 0.10 4.55 0.05 -0.33 -3.38 116.94 118.51 3h0j h PHE 1939Ca 0.00 -0.39 -0.13 0.00 3.82 0.00 0.00 57.97 61.26 3h0j h PHE 1939Cb 0.64 -0.04 0.02 0.00 2.00 0.00 0.00 35.95 38.57 3h0j h PHE 1939CO 0.00 1.28 -0.58 -0.97 -0.18 0.00 0.00 178.31 177.86 3h0j h ASN 1940N 0.13 0.34 -3.42 2.17 -1.24 -0.73 -1.70 115.58 111.13 3h0j h ASN 1940Ca -0.13 -0.95 -0.55 0.00 0.71 0.00 0.00 56.30 55.38 3h0j h ASN 1940Cb 1.88 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 40.78 3h0j h ASN 1940CO 0.20 1.27 0.14 0.20 -1.29 0.00 0.00 177.43 177.95 3h0j s ASN 1941N -6.75 7.21 0.00 1.15 0.01 -0.22 -3.09 114.94 113.25 3h0j s ASN 1941Ca -0.15 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.44 3h0j s ASN 1941Cb -0.00 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.20 3h0j s ASN 1941CO 0.79 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 177.05 3h0j n GLY 1942N 2.27 0.94 0.33 0.66 0.00 -1.26 -4.23 105.19 103.90 3h0j n GLY 1942Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3h0j n GLY 1942CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0j h GLU 1943N 0.00 0.67 -6.76 1.61 5.08 -1.75 -3.40 114.58 110.02 3h0j h GLU 1943Ca 0.00 -0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.77 3h0j h GLU 1943Cb 0.00 -0.15 -0.21 0.00 0.50 0.00 0.00 28.75 28.89 3h0j h GLU 1943CO 0.00 0.44 -0.84 1.04 -1.00 0.00 0.00 179.01 178.65 3h0j n GLN 1944N -4.47 -3.00 -3.70 2.33 6.02 -0.93 -4.36 117.38 109.27 3h0j n GLN 1944Ca 0.07 0.36 -0.27 0.00 -0.01 0.00 0.00 57.00 57.15 3h0j n GLN 1944Cb 0.14 -5.01 -0.03 0.00 1.02 0.00 0.00 30.24 26.36 3h0j n GLN 1944CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h0j s LEU 1945N -7.25 4.23 0.88 1.08 1.43 -0.69 -4.86 118.68 113.50 3h0j s LEU 1945Ca 0.68 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 3h0j s LEU 1945Cb -0.37 -3.15 0.16 0.00 0.03 0.00 0.00 46.19 42.86 3h0j s LEU 1945CO 0.93 -0.05 1.23 -2.16 0.23 0.00 0.00 176.35 176.53 3h0j s PRO 1946N -3.39 1.14 0.01 1.29 0.04 -1.26 -4.66 135.00 128.17 3h0j s PRO 1946Ca 0.38 -0.39 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 3h0j s PRO 1946Cb -0.11 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3h0j s PRO 1946CO 0.29 -2.05 0.28 1.41 0.04 0.00 0.00 177.00 176.97 3h0j s MET 1947N -5.68 0.71 -0.04 4.56 -2.45 -0.39 -1.31 119.30 114.69 3h0j s MET 1947Ca 0.70 -0.38 0.06 0.00 -1.25 0.00 0.00 55.69 54.82 3h0j s MET 1947Cb -0.06 0.31 -0.01 0.00 1.25 0.00 0.00 34.83 36.31 3h0j s MET 1947CO 0.50 -0.21 -0.23 1.41 1.05 0.00 0.00 175.02 177.54 3h0j s MET 1948N -1.93 2.18 -0.21 4.11 1.75 -0.01 -1.28 119.30 123.91 3h0j s MET 1948Ca -0.09 -0.84 0.02 0.00 -1.25 0.00 0.00 55.69 53.52 3h0j s MET 1948Cb -0.03 -1.95 0.04 0.00 2.84 0.00 0.00 34.83 35.72 3h0j s MET 1948CO 0.00 0.42 -0.15 0.42 -0.65 0.00 0.00 175.02 175.07 3h0j s ILE 1949N -0.31 2.00 -1.49 10.11 1.01 0.77 -2.04 121.20 131.25 3h0j s ILE 1949Ca 0.02 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3h0j s ILE 1949Cb -0.11 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3h0j s ILE 1949CO 0.01 0.26 2.56 0.18 0.00 0.00 0.00 174.94 177.95 3h0j n LEU 1950N 4.57 7.98 -4.66 2.97 4.32 0.00 -0.97 117.00 131.21 3h0j n LEU 1950Ca -0.17 -4.46 -0.56 0.00 -0.02 0.00 0.00 56.01 50.80 3h0j n LEU 1950Cb 0.46 -1.53 -0.07 0.00 -1.62 0.00 0.00 43.42 40.67 3h0j n LEU 1950CO 0.23 1.79 1.14 0.00 -1.22 0.00 0.00 177.39 179.32 3h0j n ALA 1951N 3.77 -0.61 -2.71 -1.18 0.00 -1.04 -4.19 120.51 114.56 3h0j n ALA 1951Ca 0.65 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 54.47 3h0j n ALA 1951Cb 0.28 -2.15 0.06 0.00 0.00 0.00 0.00 19.45 17.65 3h0j n ALA 1951CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h0j n ASN 1952N 4.14 -2.15 -4.23 0.00 5.15 -1.25 -4.07 115.26 112.83 3h0j n ASN 1952Ca 0.23 -2.57 -0.25 0.00 -0.60 0.00 0.00 54.58 51.39 3h0j n ASN 1952Cb 0.15 1.30 -0.14 0.00 -0.53 0.00 0.00 39.78 40.56 3h0j n ASN 1952CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3h0j s TRP 1953N 0.43 1.73 0.09 1.20 0.51 -1.00 -4.63 118.94 117.27 3h0j s TRP 1953Ca 0.29 -0.37 -0.07 0.00 -2.12 0.00 0.00 56.10 53.83 3h0j s TRP 1953Cb 0.21 -1.03 -0.22 0.00 -0.81 0.00 0.00 33.47 31.62 3h0j s TRP 1953CO -0.17 0.08 1.19 0.00 -0.51 0.00 0.00 176.95 177.54 3h0j h ARG 1954N 4.91 0.41 0.00 4.98 2.47 0.19 -2.98 114.38 124.35 3h0j h ARG 1954Ca -0.42 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 57.74 3h0j h ARG 1954Cb 1.16 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 3h0j h ARG 1954CO 0.44 1.22 0.00 0.41 0.56 0.00 0.00 179.97 182.60 3h0j n GLY 1955N 1.30 -0.52 3.91 0.04 0.00 -1.24 -3.95 105.19 104.72 3h0j n GLY 1955Ca -0.09 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3h0j n GLY 1955CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0j s PHE 1956N -3.00 3.54 -0.08 1.61 0.40 -1.26 -0.17 117.98 119.01 3h0j s PHE 1956Ca 0.00 0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 3h0j s PHE 1956Cb 0.00 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 3h0j s PHE 1956CO 0.00 0.63 1.63 0.45 0.70 0.00 0.00 175.22 178.63 3h0j s SER 1957N -2.13 6.64 -0.08 1.36 0.15 0.09 -4.87 113.70 114.86 3h0j s SER 1957Ca 0.30 2.12 0.15 0.00 0.70 0.00 0.00 55.95 59.23 3h0j s SER 1957Cb -0.13 -2.53 0.51 0.00 -1.71 0.00 0.00 66.02 62.16 3h0j s SER 1957CO 0.22 -0.97 1.43 0.61 1.20 0.00 0.00 173.24 175.73 3h0j n GLY 1958N 4.18 3.06 3.81 9.45 0.00 -1.26 -4.30 105.19 120.13 3h0j n GLY 1958Ca 0.17 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 3h0j n GLY 1958CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0j s GLY 1959N -1.20 1.60 0.07 -0.02 0.00 -1.26 -4.74 107.32 101.77 3h0j s GLY 1959Ca 0.38 -0.66 -0.26 0.00 0.00 0.00 0.00 44.72 44.17 3h0j s GLY 1959CO 0.18 -0.06 1.42 -1.61 0.00 0.00 0.00 173.10 173.02 3h0j h GLN 1960N -1.54 -0.64 -0.64 2.90 4.15 -1.98 -0.83 115.11 116.53 3h0j h GLN 1960Ca -0.49 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.09 3h0j h GLN 1960Cb 1.32 0.14 -0.12 0.00 0.21 0.00 0.00 27.48 29.03 3h0j h GLN 1960CO 0.57 -0.42 -0.34 -0.09 -1.93 0.00 0.00 178.83 176.62 3h0j h ARG 1961N -0.66 -0.13 -0.29 1.69 2.43 -1.97 0.67 114.38 116.11 3h0j h ARG 1961Ca -0.03 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 3h0j h ARG 1961Cb 0.61 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3h0j h ARG 1961CO -0.13 -0.09 -0.39 -0.44 -1.51 0.00 0.00 179.97 177.41 3h0j h ASP 1962N -0.14 0.72 -0.45 -3.80 3.32 -1.86 -0.45 116.42 113.77 3h0j h ASP 1962Ca 0.25 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3h0j h ASP 1962Cb 0.56 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3h0j h ASP 1962CO -0.72 1.03 0.05 -0.03 -1.72 0.00 0.00 179.24 177.85 3h0j h MET 1963N 0.56 0.76 0.00 3.56 4.05 -0.17 -1.95 114.93 121.74 3h0j h MET 1963Ca 0.05 -0.21 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 3h0j h MET 1963Cb 0.92 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.63 3h0j h MET 1963CO 0.08 0.79 -0.17 0.35 0.23 0.00 0.00 176.91 178.20 3h0j h PHE 1964N 0.61 0.00 -0.48 1.39 3.04 0.48 -2.56 116.94 119.42 3h0j h PHE 1964Ca 0.13 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.84 3h0j h PHE 1964Cb 0.42 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.78 3h0j h PHE 1964CO 0.03 0.17 0.31 0.09 -2.02 0.00 0.00 178.31 176.88 3h0j n ASN 1965N -3.69 3.37 -1.83 0.41 3.02 -0.19 -4.89 115.26 111.46 3h0j n ASN 1965Ca -0.02 -2.78 -0.19 0.00 -0.03 0.00 0.00 54.58 51.57 3h0j n ASN 1965Cb 0.28 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 3h0j n ASN 1965CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h0j n GLU 1966N -0.28 -1.41 -0.17 3.52 1.02 -0.96 -4.87 120.64 117.50 3h0j n GLU 1966Ca 0.29 1.02 0.29 0.00 -0.02 0.00 0.00 57.16 58.74 3h0j n GLU 1966Cb 1.06 -5.45 0.69 0.00 -0.02 0.00 0.00 31.44 27.72 3h0j n GLU 1966CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3h0j h VAL 1967N 0.00 0.29 -0.25 2.62 3.04 -1.64 0.31 116.25 120.63 3h0j h VAL 1967Ca -0.42 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.12 3h0j h VAL 1967Cb 1.28 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3h0j h VAL 1967CO 0.54 0.00 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.57 3h0j h LEU 1968N 0.00 0.69 0.08 3.16 3.38 -1.87 -1.58 115.31 119.17 3h0j h LEU 1968Ca 0.43 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h0j h LEU 1968Cb 2.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3h0j h LEU 1968CO -0.00 1.05 -0.04 0.11 0.09 0.00 0.00 178.44 179.65 3h0j h LYS 1969N 0.51 -0.10 -0.09 1.13 1.57 -0.76 -1.30 116.57 117.54 3h0j h LYS 1969Ca 0.03 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3h0j h LYS 1969Cb 1.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3h0j h LYS 1969CO 0.09 -0.00 -0.30 1.88 -0.57 0.00 0.00 179.45 180.55 3h0j h TYR 1970N -0.17 0.18 0.04 -1.35 0.05 -1.53 -2.19 116.97 112.00 3h0j h TYR 1970Ca -0.01 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 3h0j h TYR 1970Cb 0.14 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3h0j h TYR 1970CO -0.05 0.46 -0.02 0.78 -1.05 0.00 0.00 178.16 178.28 3h0j h GLY 1971N 1.02 -0.05 1.54 3.88 0.00 -1.06 -2.60 103.07 105.80 3h0j h GLY 1971Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3h0j h GLY 1971CO 0.04 -0.02 0.20 1.76 0.00 0.00 0.00 176.54 178.53 3h0j h SER 1972N -0.23 0.17 -0.93 0.19 0.02 -0.96 -0.20 113.55 111.61 3h0j h SER 1972Ca -0.01 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3h0j h SER 1972Cb 0.21 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 3h0j h SER 1972CO 0.01 0.11 0.60 -0.26 -1.14 0.00 0.00 176.83 176.15 3h0j h PHE 1973N 0.19 1.05 0.07 3.45 0.05 -1.00 -0.84 116.94 119.91 3h0j h PHE 1973Ca 0.13 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.97 3h0j h PHE 1973Cb 0.28 -0.34 -0.03 0.00 2.00 0.00 0.00 35.95 37.86 3h0j h PHE 1973CO -0.00 0.51 -0.19 0.82 -0.18 0.00 0.00 178.31 179.27 3h0j h ILE 1974N 1.00 0.56 -0.69 -0.55 2.04 -0.94 -0.19 117.51 118.74 3h0j h ILE 1974Ca 0.42 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.32 3h0j h ILE 1974Cb 0.30 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3h0j h ILE 1974CO -0.17 0.00 0.41 0.58 0.00 0.00 0.00 178.15 178.97 3h0j h VAL 1975N -0.34 1.03 -0.54 1.67 2.07 -1.30 -1.49 116.25 117.35 3h0j h VAL 1975Ca 0.04 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3h0j h VAL 1975Cb 0.38 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3h0j h VAL 1975CO -0.13 0.14 0.30 0.44 0.02 0.00 0.00 177.57 178.34 3h0j h ASP 1976N 0.78 0.46 -0.40 0.57 3.45 -0.65 -0.27 116.42 120.35 3h0j h ASP 1976Ca 0.29 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.71 3h0j h ASP 1976Cb 0.10 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 3h0j h ASP 1976CO -0.14 0.32 0.05 0.00 -1.57 0.00 0.00 179.24 177.89 3h0j h ALA 1977N 1.27 1.19 -0.60 3.45 0.00 -0.43 -2.40 119.26 121.74 3h0j h ALA 1977Ca 0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3h0j h ALA 1977Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h0j h ALA 1977CO -0.13 0.54 -0.01 -0.07 0.00 0.00 0.00 179.25 179.57 3h0j h LEU 1978N 0.72 1.03 -1.46 0.00 3.38 -0.50 -2.09 115.31 116.40 3h0j h LEU 1978Ca 0.15 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h0j h LEU 1978Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3h0j h LEU 1978CO 0.01 1.09 0.07 0.58 0.09 0.00 0.00 178.44 180.28 3h0j h VAL 1979N 0.96 1.14 -0.00 1.22 2.07 -0.60 -2.66 116.25 118.38 3h0j h VAL 1979Ca 0.17 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3h0j h VAL 1979Cb 0.57 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3h0j h VAL 1979CO 0.03 0.18 -0.26 -0.67 0.02 0.00 0.00 177.57 176.87 3h0j n ASP 1980N -4.37 0.30 -4.73 0.57 2.03 -0.95 -4.93 116.55 104.47 3h0j n ASP 1980Ca 0.01 0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 3h0j n ASP 1980Cb 0.17 -0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 3h0j n ASP 1980CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3h0j s TYR 1981N -2.95 2.96 -1.26 -0.67 5.04 -0.82 -4.94 117.35 114.70 3h0j s TYR 1981Ca 0.14 0.78 0.11 0.00 -2.44 0.00 0.00 57.07 55.65 3h0j s TYR 1981Cb 0.18 -3.94 0.13 0.00 0.35 0.00 0.00 41.96 38.68 3h0j s TYR 1981CO 0.61 -3.28 0.93 1.63 -1.34 0.00 0.00 175.55 174.10 3h0j n LYS 1982N 2.99 1.01 -4.62 4.97 4.76 -1.26 -4.91 118.16 121.09 3h0j n LYS 1982Ca 0.10 -1.34 -0.28 0.00 -2.87 0.00 0.00 58.31 53.92 3h0j n LYS 1982Cb 0.39 -1.22 -0.11 0.00 -1.84 0.00 0.00 35.03 32.25 3h0j n LYS 1982CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3h0j s GLN 1983N -0.93 1.97 0.50 1.97 1.11 -1.26 -5.09 119.66 117.94 3h0j s GLN 1983Ca 0.15 -2.13 -0.23 0.00 0.01 0.00 0.00 55.36 53.15 3h0j s GLN 1983Cb 0.10 -1.56 -0.06 0.00 -1.01 0.00 0.00 33.01 30.47 3h0j s GLN 1983CO 0.14 -0.10 1.40 -2.30 0.01 0.00 0.00 175.29 174.44 3h0j n PRO 1984N -0.99 1.96 -4.30 2.91 -0.02 -1.26 -4.82 135.00 128.48 3h0j n PRO 1984Ca -0.07 0.71 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 3h0j n PRO 1984Cb 0.67 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 3h0j n PRO 1984CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h0j s ILE 1985N -1.24 0.70 -0.15 4.25 1.01 0.39 -1.26 121.20 124.89 3h0j s ILE 1985Ca 0.67 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.08 3h0j s ILE 1985Cb -0.43 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.38 3h0j s ILE 1985CO 0.53 0.25 -0.19 -0.63 0.00 0.00 0.00 174.94 174.90 3h0j s ILE 1986N 0.62 2.31 -0.24 2.92 1.01 -0.40 -1.92 121.20 125.50 3h0j s ILE 1986Ca -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 3h0j s ILE 1986Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 3h0j s ILE 1986CO 0.01 0.53 0.03 -0.63 0.00 0.00 0.00 174.94 174.88 3h0j s ILE 1987N 0.91 3.91 -0.13 2.92 -1.09 0.11 -0.16 121.20 127.66 3h0j s ILE 1987Ca -0.04 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3h0j s ILE 1987Cb -0.15 -2.84 0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3h0j s ILE 1987CO -0.03 0.34 -0.02 -0.47 -1.23 0.00 0.00 174.94 173.52 3h0j s TYR 1988N 1.55 1.21 -0.31 3.97 6.04 -0.14 0.15 117.35 129.82 3h0j s TYR 1988Ca 0.06 -0.69 -0.27 0.00 0.04 0.00 0.00 57.07 56.21 3h0j s TYR 1988Cb -0.15 -1.09 0.01 0.00 -1.04 0.00 0.00 41.96 39.69 3h0j s TYR 1988CO 0.01 -0.51 0.95 0.42 -1.54 0.00 0.00 175.55 174.88 3h0j s ILE 1989N 1.80 4.64 0.95 3.14 1.01 0.21 -2.49 121.20 130.46 3h0j s ILE 1989Ca 0.03 1.50 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 3h0j s ILE 1989Cb -0.14 -4.30 0.16 0.00 0.01 0.00 0.00 42.46 38.19 3h0j s ILE 1989CO -0.07 -0.37 1.09 -2.16 0.00 0.00 0.00 174.94 173.43 3h0j s PRO 1990N 3.33 0.83 0.00 2.79 0.04 -1.26 -1.30 135.00 139.42 3h0j s PRO 1990Ca 0.40 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3h0j s PRO 1990Cb -0.13 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3h0j s PRO 1990CO 0.14 -2.51 0.27 -2.30 0.04 0.00 0.00 177.00 172.64 3h0j n PRO 1991N -4.05 0.00 0.00 0.56 -0.02 -1.26 -1.24 135.00 128.99 3h0j n PRO 1991Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3h0j n PRO 1991Cb 0.56 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 3h0j n PRO 1991CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3h0j n THR 1992N -0.60 0.00 -2.38 3.45 -2.24 -1.26 -2.51 114.28 108.74 3h0j n THR 1992Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3h0j n THR 1992Cb 0.00 -0.39 0.11 0.00 -2.10 0.00 0.00 70.33 67.95 3h0j n THR 1992CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h0j s GLY 1993N -0.26 1.76 0.19 3.38 0.00 -0.37 -4.94 107.32 107.07 3h0j s GLY 1993Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 3h0j s GLY 1993CO 0.00 -0.87 0.57 -1.83 0.00 0.00 0.00 173.10 170.97 3h0j s GLU 1994N -5.29 1.39 -0.16 2.90 -1.05 -1.26 -1.20 118.70 114.03 3h0j s GLU 1994Ca 0.66 -0.74 -0.04 0.00 -0.15 0.00 0.00 54.97 54.69 3h0j s GLU 1994Cb -0.06 0.55 0.07 0.00 -0.44 0.00 0.00 34.13 34.25 3h0j s GLU 1994CO 0.46 -0.60 0.18 -1.17 0.95 0.00 0.00 175.26 175.07 3h0j s LEU 1995N -2.84 -0.01 0.16 1.83 2.96 -0.74 -2.36 118.68 117.68 3h0j s LEU 1995Ca 0.06 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 3h0j s LEU 1995Cb -0.02 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 3h0j s LEU 1995CO -0.05 -0.30 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.48 3h0j s ARG 1996N 2.28 2.20 0.00 1.98 1.81 -1.12 -2.66 118.95 123.43 3h0j s ARG 1996Ca 0.05 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 3h0j s ARG 1996Cb -0.15 -2.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 3h0j s ARG 1996CO -0.09 0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 3h0j n GLY 1997N 0.15 0.00 0.33 -3.53 0.00 -0.35 -0.37 105.19 101.42 3h0j n GLY 1997Ca -0.11 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.13 3h0j n GLY 1997CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h0j h GLY 1998N 0.00 1.84 0.96 -0.02 0.00 -1.86 -0.61 103.07 103.38 3h0j h GLY 1998Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3h0j h GLY 1998CO 0.00 -0.55 0.17 1.76 0.00 0.00 0.00 176.54 177.92 3h0j h SER 1999N 0.17 0.38 -0.07 0.19 0.02 -0.96 -2.47 113.55 110.81 3h0j h SER 1999Ca 0.70 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.53 3h0j h SER 1999Cb 1.63 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 3h0j h SER 1999CO -0.71 0.36 -0.03 -0.25 -1.14 0.00 0.00 176.83 175.07 3h0j h TRP 2000N 0.38 0.25 0.11 3.45 2.91 -0.77 -3.19 115.95 119.09 3h0j h TRP 2000Ca 0.11 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.13 3h0j h TRP 2000Cb 0.07 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 3h0j h TRP 2000CO -0.03 0.29 -0.31 0.28 -1.03 0.00 0.00 178.44 177.64 3h0j h VAL 2001N 0.25 0.33 0.00 2.65 2.07 -1.02 -2.02 116.25 118.50 3h0j h VAL 2001Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3h0j h VAL 2001Cb 0.22 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3h0j h VAL 2001CO 0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.93 3h0j n VAL 2002N -5.41 0.00 -0.86 2.57 0.24 -1.21 -3.45 118.33 110.21 3h0j n VAL 2002Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3h0j n VAL 2002Cb 0.32 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 3h0j n VAL 2002CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3h0j n VAL 2003N -0.65 0.06 -1.91 3.34 3.14 -1.11 -4.41 118.33 116.79 3h0j n VAL 2003Ca 0.06 -0.10 -0.41 0.00 -2.96 0.00 0.00 64.34 60.93 3h0j n VAL 2003Cb 0.03 1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 34.25 3h0j n VAL 2003CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3h0j s ASP 2004N -0.06 6.52 0.63 6.55 2.15 -0.78 -4.90 116.67 126.78 3h0j s ASP 2004Ca 0.00 2.83 0.31 0.00 0.43 0.00 0.00 52.55 56.12 3h0j s ASP 2004Cb 0.00 -2.64 1.71 0.00 -0.30 0.00 0.00 42.92 41.69 3h0j s ASP 2004CO 0.00 -0.78 2.02 1.55 -0.17 0.00 0.00 175.17 177.79 3h0j h PRO 2005N 4.44 0.00 0.00 4.34 0.13 -1.91 -1.62 132.00 137.38 3h0j h PRO 2005Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h0j h PRO 2005Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h0j h PRO 2005CO 0.75 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.77 3h0j n THR 2006N -3.31 0.89 0.29 1.56 -2.24 -1.26 -2.01 114.28 108.19 3h0j n THR 2006Ca 0.01 0.22 0.15 0.00 -2.27 0.00 0.00 64.05 62.16 3h0j n THR 2006Cb 0.38 -1.01 0.88 0.00 -2.10 0.00 0.00 70.33 68.48 3h0j n THR 2006CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3h0j h ILE 2007N 0.00 0.49 0.00 2.28 2.04 -1.66 -3.33 117.51 117.33 3h0j h ILE 2007Ca 0.00 -0.16 -0.21 0.00 1.00 0.00 0.00 64.86 65.49 3h0j h ILE 2007Cb 0.31 1.11 -0.14 0.00 -0.74 0.00 0.00 36.82 37.36 3h0j h ILE 2007CO 0.00 0.03 -0.44 -3.20 0.00 0.00 0.00 178.15 174.54 3h0j n ASN 2008N -3.72 -2.71 -0.32 1.72 4.05 -0.85 -4.52 115.26 108.90 3h0j n ASN 2008Ca -0.03 -3.21 0.26 0.00 0.45 0.00 0.00 54.58 52.06 3h0j n ASN 2008Cb 0.13 1.75 0.57 0.00 1.23 0.00 0.00 39.78 43.46 3h0j n ASN 2008CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3h0j h ALA 2009N 3.82 2.47 -0.48 5.20 0.00 -1.56 0.01 119.26 128.71 3h0j h ALA 2009Ca -0.15 0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3h0j h ALA 2009Cb 1.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3h0j h ALA 2009CO 0.26 -0.87 0.34 -0.44 0.00 0.00 0.00 179.25 178.55 3h0j h ASP 2010N 0.28 0.09 0.00 0.00 3.45 -1.95 -3.28 116.42 115.01 3h0j h ASP 2010Ca 0.60 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.06 3h0j h ASP 2010Cb 1.73 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 3h0j h ASP 2010CO -0.23 0.05 -0.13 0.00 -1.57 0.00 0.00 179.24 177.36 3h0j n GLN 2011N -4.42 3.79 -3.65 3.56 1.13 -0.37 -5.01 117.38 112.40 3h0j n GLN 2011Ca 0.08 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.79 3h0j n GLN 2011Cb 0.49 -0.41 -0.05 0.00 0.11 0.00 0.00 30.24 30.37 3h0j n GLN 2011CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3h0j s MET 2012N -0.73 3.70 -0.07 -1.09 -1.94 -0.15 -0.46 119.30 118.55 3h0j s MET 2012Ca 0.00 0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 54.02 3h0j s MET 2012Cb 0.00 -3.06 0.03 0.00 2.01 0.00 0.00 34.83 33.80 3h0j s MET 2012CO 0.00 0.62 0.19 -2.00 -0.01 0.00 0.00 175.02 173.82 3h0j s GLU 2013N -1.72 0.20 -0.01 2.03 2.12 -0.81 -4.77 118.70 115.74 3h0j s GLU 2013Ca 0.29 0.32 0.07 0.00 0.36 0.00 0.00 54.97 56.00 3h0j s GLU 2013Cb -0.14 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 3h0j s GLU 2013CO 0.16 -0.07 -0.21 1.41 -0.54 0.00 0.00 175.26 176.01 3h0j s MET 2014N 0.43 1.68 0.03 4.30 -2.45 -1.26 0.05 119.30 122.08 3h0j s MET 2014Ca -0.03 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 3h0j s MET 2014Cb -0.04 -1.64 -0.02 0.00 1.25 0.00 0.00 34.83 34.38 3h0j s MET 2014CO -0.02 0.45 -0.11 0.71 1.05 0.00 0.00 175.02 177.10 3h0j s TYR 2015N -0.52 0.96 -0.09 4.11 1.51 0.39 -1.09 117.35 122.63 3h0j s TYR 2015Ca 0.08 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3h0j s TYR 2015Cb -0.08 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 3h0j s TYR 2015CO -0.01 -0.00 -0.20 0.00 -1.11 0.00 0.00 175.55 174.23 3h0j s ALA 2016N -0.85 1.89 0.58 3.71 0.00 -1.11 -0.62 121.76 125.35 3h0j s ALA 2016Ca -0.01 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 3h0j s ALA 2016Cb -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3h0j s ALA 2016CO 0.01 0.24 1.12 0.34 0.00 0.00 0.00 175.76 177.47 3h0j s ASP 2017N 0.41 5.56 0.29 0.00 2.15 -0.42 -0.88 116.67 123.76 3h0j s ASP 2017Ca -0.17 2.11 0.22 0.00 0.43 0.00 0.00 52.55 55.15 3h0j s ASP 2017Cb -0.17 -2.57 1.06 0.00 -0.30 0.00 0.00 42.92 40.94 3h0j s ASP 2017CO 0.07 -1.33 1.68 1.33 -0.17 0.00 0.00 175.17 176.76 3h0j n VAL 2018N -1.64 0.94 -1.01 1.11 0.24 0.35 -1.92 118.33 116.41 3h0j n VAL 2018Ca 0.11 0.47 0.08 0.00 -2.04 0.00 0.00 64.34 62.96 3h0j n VAL 2018Cb 0.51 -1.43 0.27 0.00 -1.47 0.00 0.00 33.84 31.72 3h0j n VAL 2018CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3h0j n ASN 2019N -2.24 3.98 -4.98 -1.34 3.02 -1.26 -4.70 115.26 107.73 3h0j n ASN 2019Ca 0.00 -3.04 -0.19 0.00 -0.03 0.00 0.00 54.58 51.32 3h0j n ASN 2019Cb 0.14 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3h0j n ASN 2019CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0j s ALA 2020N -2.85 4.40 0.06 5.41 0.00 -0.81 -4.13 121.76 123.85 3h0j s ALA 2020Ca 0.43 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3h0j s ALA 2020Cb 0.35 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3h0j s ALA 2020CO 0.09 -0.66 -0.05 1.03 0.00 0.00 0.00 175.76 176.17 3h0j s ARG 2021N -4.60 0.65 -0.29 0.00 1.81 -0.34 -4.39 118.95 111.80 3h0j s ARG 2021Ca 0.59 -1.12 -0.23 0.00 -1.72 0.00 0.00 55.73 53.25 3h0j s ARG 2021Cb -0.08 -0.05 0.14 0.00 -0.45 0.00 0.00 34.95 34.50 3h0j s ARG 2021CO 0.37 -0.04 1.06 0.00 -0.68 0.00 0.00 175.30 176.01 3h0j s ALA 2022N -3.09 -2.08 -0.17 2.13 0.00 -1.09 -1.79 121.76 115.67 3h0j s ALA 2022Ca 0.03 1.94 -0.35 0.00 0.00 0.00 0.00 51.96 53.58 3h0j s ALA 2022Cb 0.02 -1.54 0.15 0.00 0.00 0.00 0.00 23.12 21.74 3h0j s ALA 2022CO -0.05 -0.25 1.39 0.20 0.00 0.00 0.00 175.76 177.05 3h0j s GLY 2023N 0.48 -0.37 0.17 0.00 0.00 -1.09 -4.42 107.32 102.09 3h0j s GLY 2023Ca 0.01 1.34 -0.17 0.00 0.00 0.00 0.00 44.72 45.89 3h0j s GLY 2023CO -0.09 0.37 1.66 -2.08 0.00 0.00 0.00 173.10 172.96 3h0j h VAL 2024N 2.00 0.57 -4.46 1.40 2.07 -1.93 -2.55 116.25 113.35 3h0j h VAL 2024Ca -0.20 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.08 3h0j h VAL 2024Cb 1.17 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3h0j h VAL 2024CO 0.25 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 177.86 3h0j n LEU 2025N -5.32 0.00 -4.76 2.57 4.77 -1.26 -1.21 117.00 111.79 3h0j n LEU 2025Ca 0.02 -1.17 -0.22 0.00 -0.03 0.00 0.00 56.01 54.61 3h0j n LEU 2025Cb 0.23 0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3h0j n LEU 2025CO 0.15 -0.21 -0.22 -1.61 -1.33 0.00 0.00 177.39 174.16 3h0j s GLU 2026N -2.72 2.70 0.23 3.23 2.02 -1.26 -4.87 118.70 118.02 3h0j s GLU 2026Ca 0.02 -1.19 -0.14 0.00 0.02 0.00 0.00 54.97 53.68 3h0j s GLU 2026Cb -0.00 -2.42 0.28 0.00 0.10 0.00 0.00 34.13 32.09 3h0j s GLU 2026CO 0.01 0.38 1.59 -1.35 0.02 0.00 0.00 175.26 175.91 3h0j h PRO 2027N 1.62 -0.03 -0.93 0.39 0.11 -1.94 0.23 132.00 131.45 3h0j h PRO 2027Ca -0.47 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.89 3h0j h PRO 2027Cb 1.24 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 3h0j h PRO 2027CO 0.61 -0.02 0.43 1.96 -0.21 0.00 0.00 178.00 180.76 3h0j h GLN 2028N -0.03 0.37 0.00 1.05 1.08 -1.96 -0.81 115.11 114.81 3h0j h GLN 2028Ca 0.34 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.36 3h0j h GLN 2028Cb 0.57 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3h0j h GLN 2028CO -0.79 0.24 -0.61 0.78 -0.95 0.00 0.00 178.83 177.50 3h0j h GLY 2029N 0.38 0.45 0.51 3.46 0.00 -1.03 -2.50 103.07 104.35 3h0j h GLY 2029Ca 0.60 -0.81 0.08 0.00 0.00 0.00 0.00 47.33 47.21 3h0j h GLY 2029CO -0.56 0.71 0.27 1.98 0.00 0.00 0.00 176.54 178.95 3h0j h MET 2030N -0.11 0.48 -0.30 4.80 1.85 0.06 -1.78 114.93 119.93 3h0j h MET 2030Ca -0.08 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 58.91 3h0j h MET 2030Cb 1.33 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 3h0j h MET 2030CO 0.12 0.32 -0.08 -0.39 -0.40 0.00 0.00 176.91 176.47 3h0j h VAL 2031N 0.49 1.28 0.00 -5.77 -1.51 -1.28 0.35 116.25 109.82 3h0j h VAL 2031Ca 0.29 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 3h0j h VAL 2031Cb 0.30 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3h0j h VAL 2031CO -0.25 0.36 0.12 0.61 -1.23 0.00 0.00 177.57 177.18 3h0j n GLY 2032N -0.15 -0.29 1.17 5.19 0.00 -0.71 -1.64 105.19 108.76 3h0j n GLY 2032Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h0j n GLY 2032CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h0j n ILE 2033N -1.26 0.32 1.01 -0.61 2.08 -0.83 -4.87 119.36 115.20 3h0j n ILE 2033Ca 0.00 0.11 0.11 0.00 0.56 0.00 0.00 62.75 63.52 3h0j n ILE 2033Cb 0.12 -1.37 -0.03 0.00 -0.75 0.00 0.00 39.64 37.60 3h0j n ILE 2033CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3h0j n LYS 2034N -3.10 0.58 -3.12 0.38 4.01 0.12 -4.50 118.16 112.53 3h0j n LYS 2034Ca 0.00 -0.47 -0.21 0.00 -0.51 0.00 0.00 58.31 57.11 3h0j n LYS 2034Cb 0.29 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.29 3h0j n LYS 2034CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3h0j n PHE 2035N -0.80 1.46 -0.19 2.13 -0.00 -0.65 -4.99 117.46 114.42 3h0j n PHE 2035Ca 0.07 -3.87 -0.04 0.00 -0.00 0.00 0.00 57.45 53.61 3h0j n PHE 2035Cb 0.39 -0.44 0.04 0.00 -0.00 0.00 0.00 39.48 39.47 3h0j n PHE 2035CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3h0j n ARG 2036N 0.19 -2.05 0.18 -4.13 5.12 -1.19 -4.65 116.66 110.13 3h0j n ARG 2036Ca 0.27 -0.20 0.04 0.00 -1.93 0.00 0.00 57.85 56.03 3h0j n ARG 2036Cb 0.56 -0.23 0.44 0.00 -1.16 0.00 0.00 32.46 32.07 3h0j n ARG 2036CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h0j h ARG 2037N 0.00 0.07 0.02 5.56 2.47 -1.97 -2.93 114.38 117.60 3h0j h ARG 2037Ca -0.05 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3h0j h ARG 2037Cb 0.17 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3h0j h ARG 2037CO 0.03 0.28 -0.01 1.49 0.56 0.00 0.00 179.97 182.33 3h0j h GLU 2038N 0.07 -0.02 -1.56 0.04 4.81 -2.02 -3.35 114.58 112.55 3h0j h GLU 2038Ca 0.01 0.00 0.47 0.00 -0.13 0.00 0.00 59.36 59.71 3h0j h GLU 2038Cb 0.41 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.71 3h0j h GLU 2038CO 0.03 -0.02 1.09 -0.22 -0.73 0.00 0.00 179.01 179.16 3h0j h LYS 2039N -0.56 0.04 -0.53 1.92 3.64 -1.92 0.80 116.57 119.96 3h0j h LYS 2039Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3h0j h LYS 2039Cb 0.02 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3h0j h LYS 2039CO 0.00 0.03 0.23 -0.07 -2.27 0.00 0.00 179.45 177.37 3h0j h LEU 2040N 0.04 0.69 -0.26 5.20 3.38 -1.64 -2.84 115.31 119.88 3h0j h LEU 2040Ca 0.80 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.53 3h0j h LEU 2040Cb 2.97 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 43.55 3h0j h LEU 2040CO -0.15 0.61 -0.48 -0.07 0.09 0.00 0.00 178.44 178.44 3h0j h LEU 2041N 0.76 0.87 -1.63 1.67 3.38 0.50 -2.78 115.31 118.07 3h0j h LEU 2041Ca 0.18 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.76 3h0j h LEU 2041Cb 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3h0j h LEU 2041CO -0.02 1.24 0.48 0.44 0.09 0.00 0.00 178.44 180.67 3h0j h ASP 2042N 0.53 0.35 -0.14 -0.43 5.19 -1.40 1.39 116.42 121.90 3h0j h ASP 2042Ca 0.01 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3h0j h ASP 2042Cb 1.09 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.55 3h0j h ASP 2042CO 0.11 0.18 0.00 0.35 -3.12 0.00 0.00 179.24 176.76 3h0j n THR 2043N -4.47 0.18 1.92 0.35 -2.24 -1.15 -2.78 114.28 106.09 3h0j n THR 2043Ca 0.13 -0.30 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3h0j n THR 2043Cb 0.52 0.30 0.57 0.00 -2.10 0.00 0.00 70.33 69.61 3h0j n THR 2043CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h0j n MET 2044N 0.19 0.96 -2.09 -0.78 2.81 0.48 -3.57 117.12 115.11 3h0j n MET 2044Ca 0.16 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.67 3h0j n MET 2044Cb 0.30 -1.31 -0.00 0.00 -0.71 0.00 0.00 33.22 31.50 3h0j n MET 2044CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h0j n ASN 2045N -0.81 7.56 -1.74 7.83 4.13 -1.12 -3.35 115.26 127.76 3h0j n ASN 2045Ca 0.14 -3.37 -0.01 0.00 1.68 0.00 0.00 54.58 53.03 3h0j n ASN 2045Cb 0.07 -1.26 0.01 0.00 -1.54 0.00 0.00 39.78 37.06 3h0j n ASN 2045CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3h0j n ARG 2046N 0.88 0.47 -2.87 3.52 3.00 -1.23 -5.14 116.66 115.29 3h0j n ARG 2046Ca 0.55 -1.89 -0.01 0.00 -0.01 0.00 0.00 57.85 56.50 3h0j n ARG 2046Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 32.46 32.66 3h0j n ARG 2046CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3h0j n LEU 2047N -0.09 -6.33 0.00 0.55 4.77 -1.21 -5.21 117.00 109.48 3h0j n LEU 2047Ca -0.06 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3h0j n LEU 2047Cb 0.93 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 3h0j n LEU 2047CO -0.06 -2.73 0.00 -0.62 -1.33 0.00 0.00 177.39 172.64 3h0j n GLU 2081N 1.07 0.00 -0.47 3.23 4.71 -1.26 -5.09 120.64 122.84 3h0j n GLU 2081Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.19 3h0j n GLU 2081Cb 0.21 0.00 0.28 0.00 -1.01 0.00 0.00 31.44 30.92 3h0j n GLU 2081CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3h0j n LEU 2082N 0.00 4.08 0.03 -4.62 -0.00 -1.26 -4.67 117.00 110.56 3h0j n LEU 2082Ca 0.00 -2.54 -0.11 0.00 -0.00 0.00 0.00 56.01 53.37 3h0j n LEU 2082Cb 0.00 -0.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.90 3h0j n LEU 2082CO 0.00 0.74 0.70 -0.07 -0.00 0.00 0.00 177.39 178.76 3h0j h LEU 2083N 2.85 -0.73 -0.63 1.47 3.38 -2.02 -3.05 115.31 116.58 3h0j h LEU 2083Ca 0.00 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3h0j h LEU 2083Cb 1.30 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 42.26 3h0j h LEU 2083CO 0.18 -0.30 -0.26 -2.65 0.09 0.00 0.00 178.44 175.50 3h0j n PRO 2084N -5.37 -0.17 0.19 1.13 -0.02 -1.26 0.46 135.00 129.97 3h0j n PRO 2084Ca -0.04 0.96 0.08 0.00 -2.02 0.00 0.00 63.50 62.49 3h0j n PRO 2084Cb 0.28 -1.43 0.21 0.00 -0.02 0.00 0.00 33.50 32.54 3h0j n PRO 2084CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3h0j h ILE 2085N 0.00 0.42 0.23 4.25 6.09 -1.92 -2.91 117.51 123.67 3h0j h ILE 2085Ca 0.20 -1.44 -0.34 0.00 -1.37 0.00 0.00 64.86 61.91 3h0j h ILE 2085Cb 0.36 2.08 0.03 0.00 0.47 0.00 0.00 36.82 39.76 3h0j h ILE 2085CO -0.62 0.22 -1.56 1.88 -3.07 0.00 0.00 178.15 175.01 3h0j h TYR 2086N 0.00 0.89 0.00 2.19 -1.99 0.11 -2.28 116.97 115.89 3h0j h TYR 2086Ca -0.00 -0.65 -0.03 0.00 2.00 0.00 0.00 58.73 60.05 3h0j h TYR 2086Cb 1.06 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 3h0j h TYR 2086CO 0.00 1.59 -0.13 0.78 -0.00 0.00 0.00 178.16 180.40 3h0j h GLY 2087N 0.38 0.00 1.78 3.88 0.00 -0.39 0.16 103.07 108.88 3h0j h GLY 2087Ca -0.28 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 3h0j h GLY 2087CO 0.25 0.00 -0.71 -1.61 0.00 0.00 0.00 176.54 174.47 3h0j h GLN 2088N 0.00 0.21 -0.37 4.80 5.75 -1.47 -1.86 115.11 122.17 3h0j h GLN 2088Ca -0.00 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 3h0j h GLN 2088Cb 0.27 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3h0j h GLN 2088CO 0.02 0.83 -0.02 0.82 -2.65 0.00 0.00 178.83 177.83 3h0j h ILE 2089N 0.14 1.26 -0.52 2.39 2.04 -0.12 -1.85 117.51 120.85 3h0j h ILE 2089Ca -0.02 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3h0j h ILE 2089Cb 1.26 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 3h0j h ILE 2089CO 0.11 0.34 0.13 0.77 0.00 0.00 0.00 178.15 179.50 3h0j h SER 2090N 0.48 0.78 -0.98 1.72 4.64 -1.15 0.94 113.55 119.98 3h0j h SER 2090Ca 0.10 -0.23 0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3h0j h SER 2090Cb 0.50 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 62.30 3h0j h SER 2090CO 0.02 0.81 0.62 0.25 -0.87 0.00 0.00 176.83 177.66 3h0j h LEU 2091N 0.72 0.94 -0.40 5.97 5.85 -1.20 0.85 115.31 128.04 3h0j h LEU 2091Ca 0.16 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3h0j h LEU 2091Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3h0j h LEU 2091CO 0.00 0.54 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.82 3h0j h GLN 2092N 1.04 0.00 -0.24 1.25 5.75 -0.74 -2.69 115.11 119.47 3h0j h GLN 2092Ca 0.46 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.78 3h0j h GLN 2092Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3h0j h GLN 2092CO -0.23 0.21 -0.54 0.35 -2.65 0.00 0.00 178.83 175.97 3h0j h PHE 2093N 0.00 1.01 0.53 3.99 3.57 0.15 -2.94 116.94 123.26 3h0j h PHE 2093Ca -0.00 -0.38 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 3h0j h PHE 2093Cb 1.02 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.58 3h0j h PHE 2093CO 0.00 1.19 -0.26 0.00 -2.23 0.00 0.00 178.31 177.02 3h0j h ALA 2094N 0.64 -0.71 -1.26 2.41 0.00 -1.15 -3.12 119.26 116.06 3h0j h ALA 2094Ca 0.00 -0.19 0.37 0.00 0.00 0.00 0.00 54.91 55.09 3h0j h ALA 2094Cb 1.15 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 3h0j h ALA 2094CO 0.12 -0.78 0.85 0.22 0.00 0.00 0.00 179.25 179.66 3h0j h ASP 2095N -0.95 0.21 0.05 0.00 3.58 -1.51 0.90 116.42 118.70 3h0j h ASP 2095Ca -0.07 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3h0j h ASP 2095Cb 0.62 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.71 3h0j h ASP 2095CO 0.12 -0.02 0.00 0.18 -2.88 0.00 0.00 179.24 176.64 3h0j n LEU 2096N -4.44 0.00 -0.06 2.28 4.77 -1.11 -1.90 117.00 116.54 3h0j n LEU 2096Ca 0.31 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 3h0j n LEU 2096Cb 1.26 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 42.15 3h0j n LEU 2096CO 0.31 -0.03 -0.98 1.41 -1.33 0.00 0.00 177.39 176.77 3h0j n HIS 2097N -1.06 0.58 0.72 -1.77 8.25 0.31 -4.41 115.22 117.84 3h0j n HIS 2097Ca 0.09 0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.69 3h0j n HIS 2097Cb 0.06 -1.09 0.03 0.00 1.12 0.00 0.00 29.99 30.11 3h0j n HIS 2097CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h0j n ASP 2098N -3.17 2.76 -4.85 0.41 8.00 -0.80 -4.77 116.55 114.12 3h0j n ASP 2098Ca -0.33 -2.19 -0.33 0.00 0.71 0.00 0.00 54.79 52.65 3h0j n ASP 2098Cb 1.06 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 3h0j n ASP 2098CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3h0j s ARG 2099N -0.61 3.96 0.49 -1.24 1.81 -1.26 -2.68 118.95 119.42 3h0j s ARG 2099Ca 0.07 0.52 0.21 0.00 -1.72 0.00 0.00 55.73 54.81 3h0j s ARG 2099Cb 0.06 -2.65 1.26 0.00 -0.45 0.00 0.00 34.95 33.16 3h0j s ARG 2099CO 0.02 0.30 2.00 0.66 -0.68 0.00 0.00 175.30 177.59 3h0j h SER 2100N 2.73 0.13 -0.91 0.23 4.64 -1.84 0.42 113.55 118.95 3h0j h SER 2100Ca -0.48 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.91 3h0j h SER 2100Cb 1.18 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 3h0j h SER 2100CO 0.67 0.08 0.59 0.28 -0.87 0.00 0.00 176.83 177.58 3h0j h SER 2101N 0.15 0.92 -0.25 4.97 0.02 -1.93 -1.24 113.55 116.18 3h0j h SER 2101Ca 0.25 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 3h0j h SER 2101Cb 0.79 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3h0j h SER 2101CO -0.03 0.59 -0.39 -0.09 -1.14 0.00 0.00 176.83 175.77 3h0j h ARG 2102N 1.04 0.80 0.07 3.45 2.43 -1.22 -1.90 114.38 119.06 3h0j h ARG 2102Ca 0.39 -0.41 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3h0j h ARG 2102Cb 0.19 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3h0j h ARG 2102CO -0.15 1.04 -0.18 0.52 -1.51 0.00 0.00 179.97 179.69 3h0j h MET 2103N 0.65 -0.33 -0.70 0.20 2.86 -1.06 0.30 114.93 116.86 3h0j h MET 2103Ca 0.05 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3h0j h MET 2103Cb 0.95 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.61 3h0j h MET 2103CO 0.09 -0.22 0.32 0.28 1.06 0.00 0.00 176.91 178.45 3h0j h VAL 2104N -0.34 0.81 -0.28 -2.22 2.07 -1.20 -0.27 116.25 114.82 3h0j h VAL 2104Ca 0.03 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3h0j h VAL 2104Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3h0j h VAL 2104CO -0.12 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.74 3h0j h ALA 2105N 1.44 0.36 -0.01 1.67 0.00 -0.50 -2.11 119.26 120.12 3h0j h ALA 2105Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3h0j h ALA 2105Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h0j h ALA 2105CO -0.29 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.43 3h0j n LYS 2106N -4.87 1.04 -3.43 0.00 4.76 0.97 -4.91 118.16 111.72 3h0j n LYS 2106Ca -0.02 -0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 55.11 3h0j n LYS 2106Cb 0.04 -1.26 0.04 0.00 -1.84 0.00 0.00 35.03 32.02 3h0j n LYS 2106CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h0j n GLY 2107N 0.77 -0.52 0.84 0.72 0.00 -0.19 -4.88 105.19 101.93 3h0j n GLY 2107Ca 0.12 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.43 3h0j n GLY 2107CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h0j n VAL 2108N -4.66 0.12 -4.04 1.61 0.24 -0.92 -4.94 118.33 105.74 3h0j n VAL 2108Ca -0.03 -0.56 -0.08 0.00 -2.04 0.00 0.00 64.34 61.63 3h0j n VAL 2108Cb 0.57 1.31 -0.11 0.00 -1.47 0.00 0.00 33.84 34.15 3h0j n VAL 2108CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h0j s ILE 2109N -1.59 0.19 0.11 1.34 -4.36 -1.26 -4.88 121.20 110.75 3h0j s ILE 2109Ca 0.25 -1.35 -0.01 0.00 -0.26 0.00 0.00 60.65 59.28 3h0j s ILE 2109Cb 0.17 -0.88 -0.22 0.00 1.25 0.00 0.00 42.46 42.78 3h0j s ILE 2109CO 0.25 -0.74 1.25 0.28 0.24 0.00 0.00 174.94 176.22 3h0j h SER 2110N 3.92 0.36 -4.76 4.36 0.02 -1.47 -3.44 113.55 112.53 3h0j h SER 2110Ca -0.33 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.31 3h0j h SER 2110Cb 1.18 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.45 3h0j h SER 2110CO 0.53 1.21 0.35 -0.54 -1.14 0.00 0.00 176.83 177.24 3h0j s LYS 2111N -2.92 0.99 -0.07 3.45 1.02 -1.26 -5.10 119.74 115.86 3h0j s LYS 2111Ca -0.03 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 3h0j s LYS 2111Cb 0.08 0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 37.82 3h0j s LYS 2111CO 0.86 -0.40 0.12 -1.83 -0.92 0.00 0.00 175.35 173.18 3h0j s GLU 2112N -2.73 3.30 0.28 1.68 -1.05 -1.26 -2.75 118.70 116.17 3h0j s GLU 2112Ca -0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 54.97 54.59 3h0j s GLU 2112Cb -0.01 -3.05 -0.06 0.00 -0.44 0.00 0.00 34.13 30.58 3h0j s GLU 2112CO -0.06 0.72 -0.01 -0.51 0.95 0.00 0.00 175.26 176.35 3h0j s LEU 2113N -1.37 2.32 -0.32 1.83 1.43 -0.06 -4.90 118.68 117.62 3h0j s LEU 2113Ca 0.19 -1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.00 3h0j s LEU 2113Cb -0.12 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.68 3h0j s LEU 2113CO 0.09 -0.47 0.06 -1.61 0.23 0.00 0.00 176.35 174.65 3h0j s GLU 2114N -3.81 2.59 0.09 1.70 2.02 -1.26 -0.49 118.70 119.53 3h0j s GLU 2114Ca 0.31 -1.18 -0.17 0.00 0.02 0.00 0.00 54.97 53.96 3h0j s GLU 2114Cb 0.06 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3h0j s GLU 2114CO 0.12 -0.62 0.91 1.87 0.02 0.00 0.00 175.26 177.56 3h0j n TRP 2115N 4.74 -0.24 -0.23 1.61 -0.00 -1.26 0.61 117.44 122.68 3h0j n TRP 2115Ca -0.13 0.67 0.26 0.00 -0.00 0.00 0.00 57.50 58.30 3h0j n TRP 2115Cb 0.44 -0.52 0.64 0.00 -0.00 0.00 0.00 31.31 31.87 3h0j n TRP 2115CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 3h0j h THR 2116N 0.00 0.57 -0.02 5.87 1.35 -1.95 0.27 112.91 119.00 3h0j h THR 2116Ca 0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3h0j h THR 2116Cb 0.22 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 3h0j h THR 2116CO -0.51 0.03 -0.16 -0.62 -0.25 0.00 0.00 175.52 174.01 3h0j n GLU 2117N -4.38 1.57 0.13 4.72 -0.58 0.20 -0.72 120.64 121.58 3h0j n GLU 2117Ca 0.20 -1.14 -0.13 0.00 -0.42 0.00 0.00 57.16 55.67 3h0j n GLU 2117Cb 0.90 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 30.23 3h0j n GLU 2117CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h0j h ALA 2118N 4.20 -0.40 -1.05 0.62 0.00 0.80 -2.70 119.26 120.73 3h0j h ALA 2118Ca 0.00 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.14 3h0j h ALA 2118Cb 0.70 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 3h0j h ALA 2118CO 0.00 -0.76 0.68 -0.09 0.00 0.00 0.00 179.25 179.07 3h0j h ARG 2119N -0.44 0.36 -0.07 0.00 2.43 -1.80 -0.13 114.38 114.73 3h0j h ARG 2119Ca 0.02 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3h0j h ARG 2119Cb 0.44 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h0j h ARG 2119CO -0.10 0.24 -0.32 0.00 -1.51 0.00 0.00 179.97 178.28 3h0j h ARG 2120N 0.37 0.35 0.87 0.20 3.08 -1.71 -2.42 114.38 115.11 3h0j h ARG 2120Ca 0.60 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 3h0j h ARG 2120Cb 1.56 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.67 3h0j h ARG 2120CO -0.29 0.92 -0.44 0.35 -1.07 0.00 0.00 179.97 179.44 3h0j h PHE 2121N -0.13 -1.14 -0.73 3.04 3.57 -0.85 -3.00 116.94 117.69 3h0j h PHE 2121Ca -0.02 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3h0j h PHE 2121Cb 0.97 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 3h0j h PHE 2121CO 0.13 -0.69 0.48 0.74 -2.23 0.00 0.00 178.31 176.73 3h0j h PHE 2122N -1.19 0.72 -1.01 0.41 0.05 -1.22 0.10 116.94 114.80 3h0j h PHE 2122Ca -0.12 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.71 3h0j h PHE 2122Cb 0.92 -0.23 -0.05 0.00 2.00 0.00 0.00 35.95 38.58 3h0j h PHE 2122CO 0.00 0.36 0.67 0.35 -0.18 0.00 0.00 178.31 179.50 3h0j h PHE 2123N 0.69 1.26 0.00 -0.55 3.57 -1.35 0.10 116.94 120.66 3h0j h PHE 2123Ca 0.33 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 3h0j h PHE 2123Cb 0.38 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3h0j h PHE 2123CO -0.00 0.78 -0.99 -1.49 -2.23 0.00 0.00 178.31 174.38 3h0j h TRP 2124N 1.34 0.00 -0.06 0.41 4.06 -1.14 -2.75 115.95 117.81 3h0j h TRP 2124Ca 0.38 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.30 3h0j h TRP 2124Cb -0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3h0j h TRP 2124CO -0.00 0.48 -0.06 -0.09 -3.56 0.00 0.00 178.44 175.21 3h0j h ARG 2125N 0.00 0.16 0.13 0.49 9.65 -0.46 -0.36 114.38 123.99 3h0j h ARG 2125Ca -0.08 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3h0j h ARG 2125Cb 1.44 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.02 3h0j h ARG 2125CO 0.05 0.60 -0.10 1.25 2.80 0.00 0.00 179.97 184.57 3h0j h LEU 2126N -0.29 -0.25 -0.57 3.80 5.85 -0.91 -0.66 115.31 122.29 3h0j h LEU 2126Ca 0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3h0j h LEU 2126Cb 0.58 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3h0j h LEU 2126CO 0.02 -0.15 0.28 -0.09 -0.34 0.00 0.00 178.44 178.15 3h0j h ARG 2127N -0.23 0.51 -0.14 1.25 2.43 -1.51 0.49 114.38 117.18 3h0j h ARG 2127Ca -0.01 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3h0j h ARG 2127Cb 0.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3h0j h ARG 2127CO -0.00 0.34 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.69 3h0j h ARG 2128N 0.53 0.02 -0.24 0.20 1.12 -0.79 -2.70 114.38 112.52 3h0j h ARG 2128Ca 0.26 -0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.17 3h0j h ARG 2128Cb 0.20 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.11 3h0j h ARG 2128CO -0.19 0.01 -0.00 0.00 -3.11 0.00 0.00 179.97 176.68 3h0j h ARG 2129N 0.02 0.07 -0.88 0.20 2.47 -0.22 -1.65 114.38 114.40 3h0j h ARG 2129Ca 0.06 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 3h0j h ARG 2129Cb 0.09 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 3h0j h ARG 2129CO -0.12 0.05 0.57 -0.07 0.56 0.00 0.00 179.97 180.95 3h0j h LEU 2130N 0.07 0.83 -0.19 3.04 3.38 -0.80 0.11 115.31 121.75 3h0j h LEU 2130Ca 0.12 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3h0j h LEU 2130Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h0j h LEU 2130CO -0.20 0.52 -0.09 0.78 0.09 0.00 0.00 178.44 179.54 3h0j h ASN 2131N 0.93 0.40 -0.50 -0.43 4.21 -1.08 -1.58 115.58 117.53 3h0j h ASN 2131Ca 0.39 -0.41 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 3h0j h ASN 2131Cb 0.29 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 3h0j h ASN 2131CO -0.15 0.73 0.21 -0.33 -1.29 0.00 0.00 177.43 176.59 3h0j h GLU 2132N 0.08 0.80 -0.08 0.81 5.08 -0.58 -1.82 114.58 118.87 3h0j h GLU 2132Ca 0.04 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3h0j h GLU 2132Cb 0.58 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h0j h GLU 2132CO 0.03 0.67 0.04 0.93 -1.00 0.00 0.00 179.01 179.67 3h0j h GLU 2133N 0.79 0.11 -0.96 2.33 4.39 -0.71 0.76 114.58 121.30 3h0j h GLU 2133Ca 0.19 -0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.06 3h0j h GLU 2133Cb 0.17 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.70 3h0j h GLU 2133CO -0.02 0.18 0.55 -0.92 -1.16 0.00 0.00 179.01 177.64 3h0j h TYR 2134N 0.02 0.96 -0.07 4.33 3.20 -0.76 0.13 116.97 124.78 3h0j h TYR 2134Ca 0.03 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 3h0j h TYR 2134Cb 0.10 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3h0j h TYR 2134CO -0.04 0.19 -0.73 -0.07 -1.64 0.00 0.00 178.16 175.87 3h0j h LEU 2135N 0.69 0.47 -0.86 2.82 4.07 -0.72 -2.29 115.31 119.49 3h0j h LEU 2135Ca 0.55 -0.31 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 3h0j h LEU 2135Cb 0.87 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 3h0j h LEU 2135CO -0.40 1.05 0.03 0.40 -1.08 0.00 0.00 178.44 178.44 3h0j h ILE 2136N 0.26 1.25 -0.20 1.22 2.04 1.00 -2.49 117.51 120.59 3h0j h ILE 2136Ca -0.03 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 3h0j h ILE 2136Cb 1.31 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3h0j h ILE 2136CO 0.13 0.36 -0.04 0.11 0.00 0.00 0.00 178.15 178.70 3h0j h LYS 2137N 0.82 0.39 -0.78 2.37 1.57 -1.04 -1.80 116.57 118.10 3h0j h LYS 2137Ca 0.16 -0.15 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3h0j h LYS 2137Cb 0.45 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 3h0j h LYS 2137CO 0.02 0.63 0.38 0.00 -0.57 0.00 0.00 179.45 179.91 3h0j h ARG 2138N 0.11 0.56 0.28 3.15 2.47 -1.32 -1.84 114.38 117.79 3h0j h ARG 2138Ca 0.05 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3h0j h ARG 2138Cb 0.49 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3h0j h ARG 2138CO 0.02 0.37 -0.14 -0.07 0.56 0.00 0.00 179.97 180.71 3h0j h LEU 2139N 0.58 -0.32 -0.92 3.04 3.38 -1.22 -3.08 115.31 116.77 3h0j h LEU 2139Ca 0.41 -0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.59 3h0j h LEU 2139Cb 0.55 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 3h0j h LEU 2139CO -0.34 -0.17 0.40 0.28 0.09 0.00 0.00 178.44 178.70 3h0j h SER 2140N -0.45 0.29 0.00 -0.43 0.02 -0.51 -1.30 113.55 111.17 3h0j h SER 2140Ca -0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3h0j h SER 2140Cb 0.34 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3h0j h SER 2140CO 0.06 -0.07 0.00 1.41 -1.14 0.00 0.00 176.83 177.09 3h0j n HIS 2141N -5.09 0.00 0.00 3.45 8.25 -0.96 -3.60 115.22 117.28 3h0j n HIS 2141Ca 0.24 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3h0j n HIS 2141Cb 0.74 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.73 3h0j n HIS 2141CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3h0j n GLN 2142N 0.74 0.00 -0.28 -0.41 6.02 -0.49 -4.96 117.38 118.01 3h0j n GLN 2142Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 3h0j n GLN 2142Cb 0.14 0.00 0.24 0.00 1.02 0.00 0.00 30.24 31.64 3h0j n GLN 2142CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3h0j h VAL 2143N 0.00 0.42 0.00 5.09 3.04 -1.72 -3.45 116.25 119.63 3h0j h VAL 2143Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3h0j h VAL 2143Cb 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 3h0j h VAL 2143CO 0.00 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.22 3h0j n GLY 2144N -1.36 0.48 2.93 3.17 0.00 -1.24 -4.91 105.19 104.26 3h0j n GLY 2144Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3h0j n GLY 2144CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0j s GLU 2145N -0.57 0.58 0.00 1.61 2.02 -1.26 -5.12 118.70 115.97 3h0j s GLU 2145Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3h0j s GLU 2145Cb 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.88 3h0j s GLU 2145CO 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 175.26 174.15 3h0j n ALA 2146N 4.77 0.00 -1.90 5.21 0.00 -1.26 -5.13 120.51 122.20 3h0j n ALA 2146Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 3h0j n ALA 2146Cb 0.50 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.03 3h0j n ALA 2146CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h0j s SER 2147N 0.00 4.64 0.11 0.00 1.04 -1.26 -4.83 113.70 113.39 3h0j s SER 2147Ca 0.00 0.78 -0.28 0.00 0.48 0.00 0.00 55.95 56.93 3h0j s SER 2147Cb 0.00 -1.33 -0.10 0.00 0.10 0.00 0.00 66.02 64.69 3h0j s SER 2147CO 0.00 -1.81 1.64 -0.09 0.98 0.00 0.00 173.24 173.95 3h0j h ARG 2148N -0.97 -0.51 -1.32 4.02 2.43 -2.02 -0.77 114.38 115.25 3h0j h ARG 2148Ca -0.46 0.04 0.38 0.00 -0.81 0.00 0.00 59.98 59.13 3h0j h ARG 2148Cb 1.32 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.91 3h0j h ARG 2148CO 0.65 -0.34 0.92 1.25 -1.51 0.00 0.00 179.97 180.94 3h0j h LEU 2149N -0.53 0.13 0.11 3.80 5.85 -1.99 0.93 115.31 123.60 3h0j h LEU 2149Ca 0.01 0.04 -0.32 0.00 0.84 0.00 0.00 57.88 58.45 3h0j h LEU 2149Cb 0.53 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3h0j h LEU 2149CO -0.11 -0.01 -1.66 -0.33 -0.34 0.00 0.00 178.44 175.98 3h0j h GLU 2150N 0.09 0.23 -0.00 1.25 5.08 -1.70 -3.20 114.58 116.33 3h0j h GLU 2150Ca 0.68 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3h0j h GLU 2150Cb 2.43 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.83 3h0j h GLU 2150CO -0.13 1.06 -0.00 0.87 -1.00 0.00 0.00 179.01 179.80 3h0j h LYS 2151N 0.06 0.01 -0.02 2.33 1.57 0.47 -1.76 116.57 119.24 3h0j h LYS 2151Ca -0.29 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3h0j h LYS 2151Cb 2.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 3h0j h LYS 2151CO 0.14 0.54 0.02 0.97 -0.57 0.00 0.00 179.45 180.54 3h0j h ILE 2152N -0.52 0.73 0.05 1.86 6.09 -1.11 -1.35 117.51 123.26 3h0j h ILE 2152Ca 0.00 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 3h0j h ILE 2152Cb 0.54 0.99 0.01 0.00 0.47 0.00 0.00 36.82 38.83 3h0j h ILE 2152CO 0.00 0.00 -1.08 0.00 -3.07 0.00 0.00 178.15 174.00 3h0j h ALA 2153N 1.98 0.18 -0.28 0.18 0.00 -1.52 -1.80 119.26 118.01 3h0j h ALA 2153Ca 0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 3h0j h ALA 2153Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h0j h ALA 2153CO -0.00 0.77 -0.30 -0.09 0.00 0.00 0.00 179.25 179.63 3h0j h ARG 2154N 0.26 0.59 -0.14 0.00 2.43 -0.41 -2.46 114.38 114.65 3h0j h ARG 2154Ca -0.13 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 3h0j h ARG 2154Cb 1.74 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 3h0j h ARG 2154CO 0.20 0.82 -0.15 0.82 -1.51 0.00 0.00 179.97 180.15 3h0j h ILE 2155N 0.51 1.35 0.00 1.20 2.04 -1.28 -3.04 117.51 118.28 3h0j h ILE 2155Ca 0.06 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3h0j h ILE 2155Cb 0.77 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3h0j h ILE 2155CO 0.06 0.39 0.00 0.54 0.00 0.00 0.00 178.15 179.14 3h0j n ARG 2156N -4.56 0.02 0.00 2.37 1.74 -0.68 -1.32 116.66 114.23 3h0j n ARG 2156Ca -0.06 0.28 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 3h0j n ARG 2156Cb 0.36 -1.53 0.56 0.00 -1.02 0.00 0.00 32.46 30.84 3h0j n ARG 2156CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h0j n SER 2157N -1.56 0.35 0.09 0.55 3.41 -0.93 -3.25 113.62 112.27 3h0j n SER 2157Ca 0.03 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 3h0j n SER 2157Cb 0.16 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3h0j n SER 2157CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h0j n TRP 2158N -1.18 0.84 -1.85 7.33 8.01 -0.44 -4.92 117.44 125.24 3h0j n TRP 2158Ca 0.11 0.24 -0.38 0.00 -1.31 0.00 0.00 57.50 56.17 3h0j n TRP 2158Cb 0.30 -0.90 0.04 0.00 -2.01 0.00 0.00 31.31 28.74 3h0j n TRP 2158CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3h0j s TYR 2159N -3.38 2.34 0.29 -5.99 4.12 -1.20 -4.91 117.35 108.62 3h0j s TYR 2159Ca -0.01 1.41 -0.30 0.00 0.02 0.00 0.00 57.07 58.19 3h0j s TYR 2159Cb 0.10 -3.73 -0.11 0.00 -1.52 0.00 0.00 41.96 36.70 3h0j s TYR 2159CO 0.81 -2.71 1.56 -2.14 0.02 0.00 0.00 175.55 173.09 3h0j s PRO 2160N -2.94 4.14 0.43 -1.71 0.02 -1.26 -4.83 135.00 128.84 3h0j s PRO 2160Ca 0.72 2.54 0.29 0.00 0.02 0.00 0.00 61.00 64.57 3h0j s PRO 2160Cb -0.38 -3.03 1.41 0.00 0.02 0.00 0.00 34.50 32.51 3h0j s PRO 2160CO 0.45 -0.59 1.62 0.00 -0.33 0.00 0.00 177.00 178.15 3h0j h ALA 2161N 4.73 2.68 0.00 -1.55 0.00 -1.95 0.60 119.26 123.77 3h0j h ALA 2161Ca -0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3h0j h ALA 2161Cb 1.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3h0j h ALA 2161CO 0.78 -1.32 0.00 0.45 0.00 0.00 0.00 179.25 179.16 3h0j n SER 2162N -4.73 0.00 -4.73 0.00 2.88 -1.26 -4.81 113.62 100.96 3h0j n SER 2162Ca 0.37 0.23 -0.41 0.00 -1.33 0.00 0.00 58.87 57.74 3h0j n SER 2162Cb 1.41 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 64.44 3h0j n SER 2162CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3h0j s VAL 2163N -2.77 4.68 -0.59 2.46 1.01 0.21 -5.01 120.40 120.39 3h0j s VAL 2163Ca 0.14 1.85 -0.25 0.00 0.00 0.00 0.00 61.98 63.73 3h0j s VAL 2163Cb 0.13 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3h0j s VAL 2163CO 0.32 0.31 1.01 -0.62 0.00 0.00 0.00 175.10 176.12 3h0j s ASP 2164N 0.18 6.30 0.55 3.32 3.68 -1.26 -4.88 116.67 124.57 3h0j s ASP 2164Ca 0.44 -0.43 0.31 0.00 2.13 0.00 0.00 52.55 55.00 3h0j s ASP 2164Cb -0.21 -2.46 1.47 0.00 -1.45 0.00 0.00 42.92 40.27 3h0j s ASP 2164CO 0.26 -1.36 1.86 0.45 0.13 0.00 0.00 175.17 176.51 3h0j h HIS 2165N 9.46 0.00 -0.00 -5.34 3.86 -1.96 0.70 115.15 121.87 3h0j h HIS 2165Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3h0j h HIS 2165Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3h0j h HIS 2165CO 0.96 0.00 -0.08 0.39 0.86 0.00 0.00 177.93 180.06 3h0j n GLU 2166N -4.07 0.35 -3.03 2.45 1.02 -1.26 -4.63 120.64 111.46 3h0j n GLU 2166Ca 0.17 -0.07 -0.44 0.00 -0.02 0.00 0.00 57.16 56.80 3h0j n GLU 2166Cb 0.95 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.82 3h0j n GLU 2166CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h0j s ASP 2167N -2.70 6.21 0.07 1.62 -1.08 0.24 -4.95 116.67 116.08 3h0j s ASP 2167Ca 0.23 -1.05 -0.25 0.00 -0.52 0.00 0.00 52.55 50.96 3h0j s ASP 2167Cb 0.20 -2.34 -0.12 0.00 -1.46 0.00 0.00 42.92 39.20 3h0j s ASP 2167CO 0.51 -1.14 1.40 0.44 0.52 0.00 0.00 175.17 176.89 3h0j h ASP 2168N 9.24 -1.06 -0.98 -0.34 3.32 -1.83 -1.49 116.42 123.27 3h0j h ASP 2168Ca -0.28 0.10 0.21 0.00 0.02 0.00 0.00 57.03 57.07 3h0j h ASP 2168Cb 1.08 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.91 3h0j h ASP 2168CO 1.08 -0.45 0.62 -0.09 -1.72 0.00 0.00 179.24 178.68 3h0j h ARG 2169N -0.65 0.57 -0.01 3.56 2.43 -1.93 0.45 114.38 118.80 3h0j h ARG 2169Ca -0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3h0j h ARG 2169Cb 0.60 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3h0j h ARG 2169CO -0.11 0.38 -0.01 0.37 -1.51 0.00 0.00 179.97 179.09 3h0j h GLN 2170N 0.59 0.02 -0.35 0.20 4.15 -1.86 -1.52 115.11 116.34 3h0j h GLN 2170Ca 0.55 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 60.00 3h0j h GLN 2170Cb 1.11 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 3h0j h GLN 2170CO -0.31 0.50 0.14 0.28 -1.93 0.00 0.00 178.83 177.51 3h0j h VAL 2171N -0.46 0.93 -0.09 2.39 2.07 -0.51 -0.66 116.25 119.91 3h0j h VAL 2171Ca 0.00 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3h0j h VAL 2171Cb 0.50 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3h0j h VAL 2171CO 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.61 3h0j h ALA 2172N 1.21 0.05 -0.78 1.67 0.00 -0.93 -2.14 119.26 118.34 3h0j h ALA 2172Ca 0.15 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3h0j h ALA 2172Cb 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3h0j h ALA 2172CO -0.14 -0.50 0.50 1.15 0.00 0.00 0.00 179.25 180.26 3h0j h THR 2173N -0.02 1.13 -0.26 0.00 2.02 -0.89 -0.55 112.91 114.34 3h0j h THR 2173Ca 0.05 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3h0j h THR 2173Cb 0.09 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3h0j h THR 2173CO -0.11 0.18 -0.18 -0.25 0.37 0.00 0.00 175.52 175.53 3h0j h TRP 2174N 0.99 0.50 -0.01 3.16 7.01 -0.91 -2.21 115.95 124.48 3h0j h TRP 2174Ca 0.31 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3h0j h TRP 2174Cb -0.02 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3h0j h TRP 2174CO -0.03 0.62 -0.01 0.82 -2.79 0.00 0.00 178.44 177.05 3h0j h ILE 2175N 0.41 1.40 0.00 2.65 2.04 -0.71 -2.57 117.51 120.73 3h0j h ILE 2175Ca 0.07 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3h0j h ILE 2175Cb 0.56 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3h0j h ILE 2175CO 0.04 0.31 0.00 -0.33 0.00 0.00 0.00 178.15 178.17 3h0j h GLU 2176N -0.49 0.00 -0.00 2.37 5.08 -1.07 0.44 114.58 120.91 3h0j h GLU 2176Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0j h GLU 2176Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h0j h GLU 2176CO 0.00 0.00 -0.38 0.39 -1.00 0.00 0.00 179.01 178.03 3h0j n GLU 2177N -3.03 0.20 -0.18 2.33 1.02 -0.84 -4.21 120.64 115.94 3h0j n GLU 2177Ca -0.01 -0.11 0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3h0j n GLU 2177Cb 0.16 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 3h0j n GLU 2177CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h0j n ASN 2178N -1.31 1.25 -0.16 1.62 3.02 0.06 -4.88 115.26 114.87 3h0j n ASN 2178Ca 0.07 -2.29 -0.09 0.00 -0.03 0.00 0.00 54.58 52.24 3h0j n ASN 2178Cb 0.33 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3h0j n ASN 2178CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3h0j h TYR 2179N 0.00 -1.27 -0.59 3.10 0.99 -1.50 1.07 116.97 118.77 3h0j h TYR 2179Ca 0.00 0.07 0.12 0.00 2.00 0.00 0.00 58.73 60.92 3h0j h TYR 2179Cb 1.04 0.61 -0.03 0.00 1.00 0.00 0.00 36.73 39.34 3h0j h TYR 2179CO 0.03 -0.33 0.40 -0.22 -0.00 0.00 0.00 178.16 178.04 3h0j h LYS 2180N -0.21 0.27 -0.00 4.88 3.64 -1.90 0.50 116.57 123.76 3h0j h LYS 2180Ca 0.07 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 3h0j h LYS 2180Cb 0.39 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3h0j h LYS 2180CO -0.50 0.18 -0.70 1.15 -2.27 0.00 0.00 179.45 177.32 3h0j h THR 2181N 0.28 1.39 -0.95 1.00 2.02 -1.13 -2.38 112.91 113.15 3h0j h THR 2181Ca 0.28 -2.11 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 3h0j h THR 2181Cb 0.71 2.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 3h0j h THR 2181CO -0.06 0.62 0.57 -0.07 0.37 0.00 0.00 175.52 176.95 3h0j h LEU 2182N 0.01 1.14 -0.34 2.58 3.38 0.21 -2.15 115.31 120.14 3h0j h LEU 2182Ca -0.09 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3h0j h LEU 2182Cb 1.39 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3h0j h LEU 2182CO 0.14 0.88 0.08 -0.78 0.09 0.00 0.00 178.44 178.85 3h0j h ASP 2183N 1.31 0.05 -0.87 -0.43 1.82 0.00 -1.57 116.42 116.73 3h0j h ASP 2183Ca 0.34 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 57.13 3h0j h ASP 2183Cb -0.05 0.06 -0.08 0.00 0.68 0.00 0.00 39.33 39.94 3h0j h ASP 2183CO -0.06 0.06 0.51 0.44 -1.61 0.00 0.00 179.24 178.58 3h0j h ASP 2184N 0.21 0.73 -0.08 2.28 3.32 -0.85 0.22 116.42 122.24 3h0j h ASP 2184Ca 0.16 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3h0j h ASP 2184Cb 0.16 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h0j h ASP 2184CO -0.20 0.40 -0.03 0.50 -1.72 0.00 0.00 179.24 178.19 3h0j h LYS 2185N 0.83 0.29 -0.17 3.56 3.64 -0.90 -1.03 116.57 122.79 3h0j h LYS 2185Ca 0.42 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 3h0j h LYS 2185Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3h0j h LYS 2185CO -0.26 0.34 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.86 3h0j h LEU 2186N 0.28 0.59 -1.84 5.20 3.38 -0.34 -2.47 115.31 120.10 3h0j h LEU 2186Ca 0.06 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3h0j h LEU 2186Cb 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h0j h LEU 2186CO 0.01 1.03 -0.13 0.11 0.09 0.00 0.00 178.44 179.55 3h0j h LYS 2187N 0.17 0.00 0.00 1.13 1.57 -1.09 0.22 116.57 118.58 3h0j h LYS 2187Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h0j h LYS 2187Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3h0j h LYS 2187CO 0.07 0.13 0.00 0.78 -0.57 0.00 0.00 179.45 179.86 3h0j h GLY 2188N 0.52 0.00 -0.64 3.86 0.00 -0.77 -2.13 103.07 103.91 3h0j h GLY 2188Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h0j h GLY 2188CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 3h0j n LEU 2189N -2.38 1.43 -0.06 3.11 4.32 0.79 -4.08 117.00 120.13 3h0j n LEU 2189Ca 0.03 -0.60 0.06 0.00 -0.02 0.00 0.00 56.01 55.47 3h0j n LEU 2189Cb 0.29 -0.09 0.42 0.00 -1.62 0.00 0.00 43.42 42.41 3h0j n LEU 2189CO 0.23 0.30 1.18 0.11 -1.22 0.00 0.00 177.39 177.99 3h0j h LYS 2190N 1.89 0.57 -2.36 3.23 1.79 -1.40 -2.12 116.57 118.17 3h0j h LYS 2190Ca 0.00 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 3h0j h LYS 2190Cb 0.41 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 3h0j h LYS 2190CO 0.00 0.38 0.02 -0.11 -1.08 0.00 0.00 179.45 178.65 3h0j n LEU 2191N -4.47 2.84 -0.05 2.94 7.94 -1.26 -2.57 117.00 122.38 3h0j n LEU 2191Ca 0.06 -1.81 0.05 0.00 -1.11 0.00 0.00 56.01 53.20 3h0j n LEU 2191Cb 0.15 -0.73 0.07 0.00 0.53 0.00 0.00 43.42 43.44 3h0j n LEU 2191CO 0.35 0.66 0.52 1.21 -1.11 0.00 0.00 177.39 179.02 3h0j n GLU 2192N 2.51 2.04 -2.33 1.96 2.13 -0.80 -4.94 120.64 121.22 3h0j n GLU 2192Ca 0.18 -1.98 -0.35 0.00 0.66 0.00 0.00 57.16 55.66 3h0j n GLU 2192Cb 0.45 -1.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.91 3h0j n GLU 2192CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3h0j s SER 2193N -1.88 5.93 -0.46 4.31 0.01 -1.06 -4.85 113.70 115.69 3h0j s SER 2193Ca 0.15 -1.80 -0.29 0.00 1.31 0.00 0.00 55.95 55.33 3h0j s SER 2193Cb 0.13 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.81 3h0j s SER 2193CO 0.01 -2.10 1.26 -0.36 0.41 0.00 0.00 173.24 172.46 3h0j s PHE 2194N 7.51 2.62 -1.84 2.43 0.40 -1.26 -5.23 117.98 122.60 3h0j s PHE 2194Ca 0.60 0.67 0.15 0.00 -0.60 0.00 0.00 56.93 57.75 3h0j s PHE 2194Cb 0.00 -4.40 0.12 0.00 0.51 0.00 0.00 43.02 39.25 3h0j s PHE 2194CO 0.06 -1.60 0.97 0.00 0.70 0.00 0.00 175.22 175.35