#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n20 s PRO 62 N 0.00 -0.59 0.39 -1.09 0.04 -1.26 -1.92 135.00 130.57 1n20 s PRO 62 Ca 0.00 -0.13 -0.17 0.00 0.04 0.00 0.00 61.00 60.74 1n20 s PRO 62 Cb 0.00 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 1n20 s PRO 62 CO 0.00 -3.28 0.84 0.00 0.04 0.00 0.00 177.00 174.60 1n20 s ALA 63 N -3.25 3.19 0.10 8.56 0.00 -1.22 -4.73 121.76 124.41 1n20 s ALA 63 Ca 0.71 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 1n20 s ALA 63 Cb -0.09 -2.95 -0.19 0.00 0.00 0.00 0.00 23.12 19.90 1n20 s ALA 63 CO 0.55 0.19 1.23 -0.07 0.00 0.00 0.00 175.76 177.66 1n20 h LEU 64 N 1.96 0.43 -8.20 0.00 3.38 -1.96 -3.41 115.31 107.50 1n20 h LEU 64 Ca -0.48 -0.41 -0.69 0.00 0.09 0.00 0.00 57.88 56.39 1n20 h LEU 64 Cb 1.18 -0.14 -0.29 0.00 0.09 0.00 0.00 40.66 41.50 1n20 h LEU 64 CO 0.63 1.26 -0.62 0.26 0.09 0.00 0.00 178.44 180.06 1n20 s TRP 65 N -2.92 3.24 0.72 1.13 0.51 -1.26 -5.10 118.94 115.25 1n20 s TRP 65 Ca -0.04 -1.41 -0.04 0.00 -2.12 0.00 0.00 56.10 52.49 1n20 s TRP 65 Cb 0.08 -2.25 0.15 0.00 -0.81 0.00 0.00 33.47 30.64 1n20 s TRP 65 CO 0.87 -0.72 0.98 -0.40 -0.51 0.00 0.00 176.95 177.18 1n20 n ASP 66 N 4.80 0.98 -0.32 2.95 5.75 -1.26 -4.88 116.55 124.57 1n20 n ASP 66 Ca -0.13 -1.91 0.03 0.00 -0.01 0.00 0.00 54.79 52.78 1n20 n ASP 66 Cb 0.45 -0.67 0.18 0.00 -1.03 0.00 0.00 41.12 40.05 1n20 n ASP 66 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1n20 h SER 67 N -0.78 0.80 -0.19 -1.12 0.87 -1.99 -2.17 113.55 108.97 1n20 h SER 67 Ca -0.32 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1n20 h SER 67 Cb 1.11 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1n20 h SER 67 CO 0.31 0.47 0.04 0.78 -0.53 0.00 0.00 176.83 177.90 1n20 h ASN 68 N 0.91 0.30 -0.45 6.23 2.35 -1.99 -2.09 115.58 120.83 1n20 h ASN 68 Ca 0.42 -0.25 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1n20 h ASN 68 Cb 0.33 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1n20 h ASN 68 CO -0.23 0.47 0.14 0.22 -1.65 0.00 0.00 177.43 176.38 1n20 h TYR 69 N 0.11 0.23 -0.18 1.19 3.20 -1.84 -1.93 116.97 117.77 1n20 h TYR 69 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1n20 h TYR 69 Cb 0.29 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1n20 h TYR 69 CO 0.02 0.06 0.04 0.82 -1.64 0.00 0.00 178.16 177.46 1n20 h ILE 70 N 0.29 1.21 0.00 1.81 2.04 -1.34 -2.73 117.51 118.79 1n20 h ILE 70 Ca 0.22 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1n20 h ILE 70 Cb 0.24 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1n20 h ILE 70 CO -0.25 0.20 -0.01 1.56 0.00 0.00 0.00 178.15 179.66 1n20 h GLN 71 N 0.10 0.00 0.00 2.37 1.08 -1.21 -2.56 115.11 114.90 1n20 h GLN 71 Ca 0.06 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.13 1n20 h GLN 71 Cb 0.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1n20 h GLN 71 CO 0.00 0.01 -0.81 0.66 -0.95 0.00 0.00 178.83 177.73 1n20 h SER 72 N 0.00 0.00 -0.91 1.46 4.64 -1.15 -3.47 113.55 114.12 1n20 h SER 72 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1n20 h SER 72 Cb 0.33 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.48 1n20 h SER 72 CO 0.00 0.52 -0.08 0.18 -0.87 0.00 0.00 176.83 176.58 1n20 n LEU 73 N -3.11 -0.29 -3.87 5.97 4.77 -0.97 -4.96 117.00 114.55 1n20 n LEU 73 Ca -0.02 1.05 -0.16 0.00 -0.03 0.00 0.00 56.01 56.85 1n20 n LEU 73 Cb 0.77 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1n20 n LEU 73 CO 0.41 -1.98 -0.38 0.21 -1.33 0.00 0.00 177.39 174.32 1n20 s ASN 74 N -0.22 0.46 -0.06 -1.43 2.47 -1.26 -5.09 114.94 109.80 1n20 s ASN 74 Ca 0.77 -0.05 -0.05 0.00 0.42 0.00 0.00 52.86 53.95 1n20 s ASN 74 Cb -1.08 -0.17 0.02 0.00 -1.45 0.00 0.00 41.25 38.57 1n20 s ASN 74 CO 0.52 -0.03 0.15 0.28 -3.72 0.00 0.00 177.10 174.30 1n20 s THR 75 N 0.54 -0.00 -0.25 -5.21 -1.32 -1.26 -5.05 115.64 103.08 1n20 s THR 75 Ca -0.06 0.01 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 1n20 s THR 75 Cb -0.09 -0.22 0.15 0.00 -1.51 0.00 0.00 72.50 70.83 1n20 s THR 75 CO -0.01 0.01 1.46 1.55 -2.21 0.00 0.00 174.62 175.42 1n20 h PRO 76 N 6.02 0.00 -2.38 7.08 0.13 -2.01 -3.40 132.00 137.44 1n20 h PRO 76 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1n20 h PRO 76 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1n20 h PRO 76 CO 0.41 0.31 0.15 0.66 -0.23 0.00 0.00 178.00 179.30 1n20 n TYR 77 N -3.15 0.00 -0.05 1.56 4.02 -1.26 -2.83 117.16 115.44 1n20 n TYR 77 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1n20 n TYR 77 Cb 0.66 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1n20 n TYR 77 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1n20 n THR 78 N 2.37 0.00 -2.62 -0.72 -1.04 -1.26 -4.61 114.28 106.40 1n20 n THR 78 Ca 0.04 -0.36 -0.40 0.00 -2.04 0.00 0.00 64.05 61.29 1n20 n THR 78 Cb 0.14 1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 69.65 1n20 n THR 78 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1n20 s GLU 79 N -0.60 4.75 0.40 -2.82 2.02 -1.13 -4.93 118.70 116.39 1n20 s GLU 79 Ca 0.00 1.63 0.19 0.00 0.02 0.00 0.00 54.97 56.81 1n20 s GLU 79 Cb 0.00 -3.22 1.13 0.00 0.10 0.00 0.00 34.13 32.14 1n20 s GLU 79 CO 0.00 0.37 1.75 0.93 0.02 0.00 0.00 175.26 178.33 1n20 h GLU 80 N 3.96 0.36 -0.98 1.61 5.08 -1.97 0.05 114.58 122.69 1n20 h GLU 80 Ca -0.46 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1n20 h GLU 80 Cb 1.21 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.20 1n20 h GLU 80 CO 0.67 0.24 -0.28 -2.13 -1.00 0.00 0.00 179.01 176.51 1n20 n ARG 81 N -4.65 -0.13 0.00 2.33 0.63 -1.26 0.52 116.66 114.11 1n20 n ARG 81 Ca 0.27 1.52 -0.09 0.00 -0.92 0.00 0.00 57.85 58.63 1n20 n ARG 81 Cb 0.92 -2.27 0.06 0.00 0.45 0.00 0.00 32.46 31.62 1n20 n ARG 81 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1n20 h HIS 82 N 0.00 0.71 -0.45 -0.14 3.86 -1.37 -2.65 115.15 115.11 1n20 h HIS 82 Ca 0.43 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1n20 h HIS 82 Cb 0.68 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1n20 h HIS 82 CO -0.78 0.97 0.29 -0.07 0.86 0.00 0.00 177.93 179.20 1n20 h LEU 83 N 0.44 0.50 -0.46 2.43 3.38 0.15 -0.83 115.31 120.93 1n20 h LEU 83 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n20 h LEU 83 Cb 1.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1n20 h LEU 83 CO 0.10 0.36 0.25 0.44 0.09 0.00 0.00 178.44 179.69 1n20 h ASP 84 N 0.60 0.57 -0.20 -0.43 3.32 -0.39 -1.82 116.42 118.08 1n20 h ASP 84 Ca 0.17 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1n20 h ASP 84 Cb -0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1n20 h ASP 84 CO -0.04 0.50 0.10 -0.09 -1.72 0.00 0.00 179.24 177.99 1n20 h ARG 85 N 0.60 0.33 -0.43 3.56 9.65 -1.13 -1.51 114.38 125.45 1n20 h ARG 85 Ca 0.16 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 1n20 h ARG 85 Cb 0.05 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1n20 h ARG 85 CO -0.03 0.27 0.11 -0.22 2.80 0.00 0.00 179.97 182.90 1n20 h LYS 86 N 0.33 0.68 -0.47 0.20 3.64 -0.35 -1.51 116.57 119.10 1n20 h LYS 86 Ca 0.09 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1n20 h LYS 86 Cb 0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1n20 h LYS 86 CO -0.01 0.69 -0.02 0.00 -2.27 0.00 0.00 179.45 177.84 1n20 h ALA 87 N 0.96 0.63 -0.17 5.00 0.00 -0.73 -1.87 119.26 123.08 1n20 h ALA 87 Ca 0.13 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n20 h ALA 87 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1n20 h ALA 87 CO 0.00 0.45 0.05 0.93 0.00 0.00 0.00 179.25 180.68 1n20 h GLU 88 N 0.69 0.13 -0.66 0.00 5.08 -1.17 -1.32 114.58 117.33 1n20 h GLU 88 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1n20 h GLU 88 Cb 0.53 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1n20 h GLU 88 CO 0.03 0.09 0.41 -0.07 -1.00 0.00 0.00 179.01 178.46 1n20 h LEU 89 N 0.13 0.77 -0.17 1.33 3.38 -1.18 -2.10 115.31 117.48 1n20 h LEU 89 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1n20 h LEU 89 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n20 h LEU 89 CO -0.08 0.58 0.02 0.40 0.09 0.00 0.00 178.44 179.45 1n20 h ILE 90 N 0.90 1.22 -0.34 1.22 2.04 -0.73 -0.07 117.51 121.76 1n20 h ILE 90 Ca 0.24 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1n20 h ILE 90 Cb -0.06 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1n20 h ILE 90 CO -0.05 0.22 -0.04 0.58 0.00 0.00 0.00 178.15 178.86 1n20 h VAL 91 N 0.06 0.71 -0.64 1.67 2.07 -0.93 0.27 116.25 119.46 1n20 h VAL 91 Ca 0.05 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1n20 h VAL 91 Cb 0.31 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1n20 h VAL 91 CO 0.00 0.01 0.38 1.56 0.02 0.00 0.00 177.57 179.54 1n20 h GLN 92 N 0.05 0.70 -0.56 1.57 1.08 -1.21 -2.21 115.11 114.53 1n20 h GLN 92 Ca 0.16 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 1n20 h GLN 92 Cb 0.24 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1n20 h GLN 92 CO -0.31 0.46 -0.06 0.28 -0.95 0.00 0.00 178.83 178.25 1n20 h VAL 93 N 0.72 1.27 -0.71 -0.54 2.07 0.14 -2.74 116.25 116.45 1n20 h VAL 93 Ca 0.27 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1n20 h VAL 93 Cb 0.10 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1n20 h VAL 93 CO -0.14 0.43 0.41 -0.09 0.02 0.00 0.00 177.57 178.21 1n20 h ARG 94 N 0.92 0.75 0.30 1.57 2.43 -0.06 -0.98 114.38 119.32 1n20 h ARG 94 Ca 0.15 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1n20 h ARG 94 Cb 0.62 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1n20 h ARG 94 CO 0.04 0.50 -0.44 0.82 -1.51 0.00 0.00 179.97 179.38 1n20 h ILE 95 N 0.77 0.13 -0.54 1.20 2.04 -1.13 -1.94 117.51 118.04 1n20 h ILE 95 Ca 0.31 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.24 1n20 h ILE 95 Cb 0.15 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 1n20 h ILE 95 CO -0.16 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.14 1n20 h LEU 96 N -0.80 0.27 -1.89 1.44 3.38 -1.23 -0.20 115.31 116.28 1n20 h LEU 96 Ca -0.02 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1n20 h LEU 96 Cb 0.75 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1n20 h LEU 96 CO -0.14 0.18 0.42 0.25 0.09 0.00 0.00 178.44 179.24 1n20 h LEU 97 N 0.43 0.10 0.08 1.67 5.85 -0.85 -2.30 115.31 120.31 1n20 h LEU 97 Ca 0.26 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.65 1n20 h LEU 97 Cb 0.25 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1n20 h LEU 97 CO -0.23 0.05 -1.81 0.11 -0.34 0.00 0.00 178.44 176.22 1n20 h LYS 98 N 0.11 0.18 -5.29 1.25 1.57 -0.39 -3.48 116.57 110.52 1n20 h LYS 98 Ca 0.29 -0.31 -0.63 0.00 -1.87 0.00 0.00 60.65 58.13 1n20 h LYS 98 Cb 0.99 0.11 0.08 0.00 0.08 0.00 0.00 32.23 33.49 1n20 h LYS 98 CO -0.03 0.96 -0.30 0.39 -0.57 0.00 0.00 179.45 179.91 1n20 n GLU 99 N -3.34 0.00 -1.63 3.15 1.02 -0.23 -4.67 120.64 114.94 1n20 n GLU 99 Ca -0.24 0.00 -0.57 0.00 -0.02 0.00 0.00 57.16 56.33 1n20 n GLU 99 Cb 1.05 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 31.37 1n20 n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n20 n LYS 100 N 1.03 0.83 -3.83 3.49 5.02 -1.26 -4.91 118.16 118.52 1n20 n LYS 100 Ca 0.16 0.30 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 1n20 n LYS 100 Cb 0.17 -1.92 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 1n20 n LYS 100 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1n20 s MET 101 N 1.66 1.11 0.33 1.97 1.75 -1.26 -5.16 119.30 119.71 1n20 s MET 101 Ca 0.92 -0.97 -0.26 0.00 -1.25 0.00 0.00 55.69 54.13 1n20 s MET 101 Cb -1.11 0.42 -0.10 0.00 2.84 0.00 0.00 34.83 36.88 1n20 s MET 101 CO 0.58 -0.42 0.96 -1.21 -0.65 0.00 0.00 175.02 174.28 1n20 s GLU 102 N -3.89 4.53 0.16 4.11 0.41 -1.26 -4.89 118.70 117.87 1n20 s GLU 102 Ca 0.10 1.34 -0.24 0.00 -0.41 0.00 0.00 54.97 55.77 1n20 s GLU 102 Cb 0.03 -2.75 0.05 0.00 -1.78 0.00 0.00 34.13 29.67 1n20 s GLU 102 CO -0.05 0.22 1.59 -1.35 -0.49 0.00 0.00 175.26 175.18 1n20 h PRO 103 N 3.05 -0.26 -0.87 0.39 0.11 -2.01 0.13 132.00 132.55 1n20 h PRO 103 Ca -0.47 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1n20 h PRO 103 Cb 1.19 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 1n20 h PRO 103 CO 0.65 -0.17 0.56 -0.24 -0.21 0.00 0.00 178.00 178.58 1n20 h VAL 104 N -0.27 0.82 -0.16 3.15 3.04 -1.99 0.66 116.25 121.49 1n20 h VAL 104 Ca 0.17 -0.21 -0.18 0.00 -1.01 0.00 0.00 66.70 65.46 1n20 h VAL 104 Cb 0.55 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1n20 h VAL 104 CO -0.56 0.11 -0.63 1.56 -1.01 0.00 0.00 177.57 177.05 1n20 h GLN 105 N 0.63 0.58 -0.32 4.17 4.20 -1.32 -2.60 115.11 120.45 1n20 h GLN 105 Ca 0.44 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1n20 h GLN 105 Cb 0.77 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1n20 h GLN 105 CO -0.19 1.03 0.16 1.96 -0.67 0.00 0.00 178.83 181.12 1n20 h GLN 106 N 0.43 0.46 -0.77 1.46 4.20 0.14 -1.71 115.11 119.31 1n20 h GLN 106 Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1n20 h GLN 106 Cb 1.20 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1n20 h GLN 106 CO 0.12 0.41 0.35 -0.07 -0.67 0.00 0.00 178.83 178.97 1n20 h LEU 107 N 0.39 1.01 -0.71 1.46 3.38 -1.19 -1.03 115.31 118.62 1n20 h LEU 107 Ca 0.11 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1n20 h LEU 107 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1n20 h LEU 107 CO -0.02 0.87 -0.13 -0.33 0.09 0.00 0.00 178.44 178.92 1n20 h GLU 108 N 1.10 0.86 -0.19 1.13 5.08 -1.21 -1.55 114.58 119.79 1n20 h GLU 108 Ca 0.26 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1n20 h GLU 108 Cb 0.14 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n20 h GLU 108 CO -0.03 0.94 -0.61 1.25 -1.00 0.00 0.00 179.01 179.56 1n20 h LEU 109 N 0.77 0.74 -0.38 1.33 5.85 -1.04 -1.02 115.31 121.56 1n20 h LEU 109 Ca 0.12 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1n20 h LEU 109 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1n20 h LEU 109 CO 0.04 1.17 0.19 0.40 -0.34 0.00 0.00 178.44 179.91 1n20 h ILE 110 N 0.49 1.16 -0.74 4.05 2.04 -1.03 -0.76 117.51 122.71 1n20 h ILE 110 Ca -0.00 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1n20 h ILE 110 Cb 1.19 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1n20 h ILE 110 CO 0.12 0.17 0.35 -0.74 0.00 0.00 0.00 178.15 178.05 1n20 h HIS 111 N 0.47 1.07 -0.68 1.37 2.76 -1.18 0.35 115.15 119.31 1n20 h HIS 111 Ca 0.13 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1n20 h HIS 111 Cb 0.11 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 1n20 h HIS 111 CO -0.02 0.78 0.27 -0.44 -1.30 0.00 0.00 177.93 177.23 1n20 h ASP 112 N 1.06 0.94 -0.43 3.26 3.32 -0.71 -2.64 116.42 121.21 1n20 h ASP 112 Ca 0.26 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1n20 h ASP 112 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1n20 h ASP 112 CO -0.03 0.85 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.27 1n20 h LEU 113 N 0.96 0.75 0.43 1.55 3.38 -0.52 -2.47 115.31 119.39 1n20 h LEU 113 Ca 0.23 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1n20 h LEU 113 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1n20 h LEU 113 CO -0.02 0.88 -0.40 0.50 0.09 0.00 0.00 178.44 179.49 1n20 h LYS 114 N 0.60 -0.79 0.00 1.13 3.64 -0.71 0.47 116.57 120.91 1n20 h LYS 114 Ca 0.12 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1n20 h LYS 114 Cb 0.49 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1n20 h LYS 114 CO 0.02 -0.52 0.00 0.66 -2.27 0.00 0.00 179.45 177.34 1n20 n TYR 115 N -4.83 0.00 0.85 1.91 4.02 -1.02 -1.01 117.16 117.08 1n20 n TYR 115 Ca -0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1n20 n TYR 115 Cb 0.37 -0.03 0.13 0.00 -0.02 0.00 0.00 39.34 39.80 1n20 n TYR 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n20 n LEU 116 N -1.03 3.09 -1.50 7.72 4.77 -0.93 -4.70 117.00 124.43 1n20 n LEU 116 Ca 0.16 -1.11 -0.12 0.00 -0.03 0.00 0.00 56.01 54.91 1n20 n LEU 116 Cb 0.08 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1n20 n LEU 116 CO 0.13 0.55 -0.11 0.61 -1.33 0.00 0.00 177.39 177.24 1n20 n GLY 117 N 1.39 -0.09 0.00 -0.72 0.00 -0.18 -4.81 105.19 100.77 1n20 n GLY 117 Ca 0.15 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1n20 n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n20 n LEU 118 N -1.91 0.00 0.04 0.99 4.77 0.12 -4.71 117.00 116.29 1n20 n LEU 118 Ca -0.12 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.07 1n20 n LEU 118 Cb 0.60 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.33 1n20 n LEU 118 CO 0.19 0.00 1.19 0.77 -1.33 0.00 0.00 177.39 178.22 1n20 h SER 119 N 0.00 0.00 0.66 -1.43 4.64 -1.72 0.13 113.55 115.83 1n20 h SER 119 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n20 h SER 119 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1n20 h SER 119 CO 0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 1n20 h ASP 120 N 0.00 0.00 1.05 4.97 3.32 -1.90 -2.12 116.42 121.74 1n20 h ASP 120 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1n20 h ASP 120 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1n20 h ASP 120 CO -0.00 0.00 -0.21 0.49 -1.72 0.00 0.00 179.24 177.79 1n20 n PHE 121 N -2.48 0.43 -2.71 4.55 0.99 0.46 -4.15 117.46 114.54 1n20 n PHE 121 Ca 0.01 0.12 -0.12 0.00 -0.00 0.00 0.00 57.45 57.47 1n20 n PHE 121 Cb 0.21 -0.64 0.02 0.00 -1.00 0.00 0.00 39.48 38.07 1n20 n PHE 121 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1n20 n PHE 122 N -1.88 1.24 0.06 1.38 3.01 -0.80 -4.91 117.46 115.55 1n20 n PHE 122 Ca 0.05 -2.95 -0.04 0.00 1.01 0.00 0.00 57.45 55.52 1n20 n PHE 122 Cb 0.39 -0.36 0.17 0.00 -0.01 0.00 0.00 39.48 39.67 1n20 n PHE 122 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1n20 h GLN 123 N 2.97 0.34 0.13 -1.08 1.08 -1.70 -1.62 115.11 115.23 1n20 h GLN 123 Ca -0.04 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1n20 h GLN 123 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1n20 h GLN 123 CO 0.53 0.72 -0.06 -0.44 -0.95 0.00 0.00 178.83 178.63 1n20 h ASP 124 N 0.28 -0.15 -0.67 1.46 3.32 -1.91 -1.07 116.42 117.67 1n20 h ASP 124 Ca 0.02 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 56.78 1n20 h ASP 124 Cb 0.89 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1n20 h ASP 124 CO 0.07 0.30 0.37 -0.33 -1.72 0.00 0.00 179.24 177.94 1n20 h GLU 125 N -0.65 0.66 -0.44 3.56 3.07 -1.95 -1.55 114.58 117.28 1n20 h GLU 125 Ca -0.02 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1n20 h GLU 125 Cb 0.49 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1n20 h GLU 125 CO 0.03 0.44 -0.03 0.82 -1.40 0.00 0.00 179.01 178.86 1n20 h ILE 126 N 0.68 1.27 -0.67 3.13 2.04 -1.31 -1.85 117.51 120.79 1n20 h ILE 126 Ca 0.30 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1n20 h ILE 126 Cb 0.20 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1n20 h ILE 126 CO -0.19 0.38 0.20 0.11 0.00 0.00 0.00 178.15 178.65 1n20 h LYS 127 N 0.64 1.02 -0.18 2.37 1.57 -0.78 -0.58 116.57 120.63 1n20 h LYS 127 Ca 0.12 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1n20 h LYS 127 Cb 0.54 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1n20 h LYS 127 CO 0.03 0.88 -0.05 1.49 -0.57 0.00 0.00 179.45 181.23 1n20 h GLU 128 N 0.99 0.35 -0.39 3.15 4.81 -1.22 0.24 114.58 122.50 1n20 h GLU 128 Ca 0.22 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1n20 h GLU 128 Cb 0.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1n20 h GLU 128 CO -0.01 0.63 0.25 0.82 -0.73 0.00 0.00 179.01 179.97 1n20 h ILE 129 N 0.05 1.10 0.09 2.32 2.04 -1.14 0.00 117.51 121.98 1n20 h ILE 129 Ca 0.04 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 65.46 1n20 h ILE 129 Cb 0.50 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1n20 h ILE 129 CO 0.02 0.10 -1.16 -0.07 0.00 0.00 0.00 178.15 177.04 1n20 h LEU 130 N 0.53 0.34 -0.67 1.44 3.38 -0.91 -2.50 115.31 116.91 1n20 h LEU 130 Ca 0.14 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1n20 h LEU 130 Cb -0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1n20 h LEU 130 CO -0.03 1.26 0.12 1.23 0.09 0.00 0.00 178.44 181.11 1n20 h GLY 131 N 1.87 1.18 0.77 0.83 0.00 0.35 0.10 103.07 108.17 1n20 h GLY 131 Ca -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.42 1n20 h GLY 131 CO 0.18 0.72 -0.04 -2.08 0.00 0.00 0.00 176.54 175.32 1n20 h VAL 132 N 1.02 1.29 -0.50 4.60 2.07 -1.08 -1.93 116.25 121.72 1n20 h VAL 132 Ca 0.20 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1n20 h VAL 132 Cb 0.42 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1n20 h VAL 132 CO 0.01 0.30 0.26 0.40 0.02 0.00 0.00 177.57 178.56 1n20 h ILE 133 N 0.00 1.16 -0.53 4.57 2.04 -1.31 0.10 117.51 123.54 1n20 h ILE 133 Ca 0.04 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1n20 h ILE 133 Cb 0.48 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1n20 h ILE 133 CO 0.02 0.18 0.30 0.22 0.00 0.00 0.00 178.15 178.87 1n20 h TYR 134 N 0.69 0.72 0.10 1.37 3.20 -0.56 -3.12 116.97 119.37 1n20 h TYR 134 Ca 0.18 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1n20 h TYR 134 Cb 0.04 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1n20 h TYR 134 CO 0.00 0.52 -0.05 -0.91 -1.64 0.00 0.00 178.16 176.09 1n20 h ASN 135 N 0.71 -0.11 0.00 -2.11 2.35 -0.52 -3.34 115.58 112.56 1n20 h ASN 135 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1n20 h ASN 135 Cb 0.03 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1n20 h ASN 135 CO -0.03 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.15 1n20 n GLU 136 N -2.90 0.00 -3.93 0.81 1.02 0.27 -4.27 120.64 111.65 1n20 n GLU 136 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1n20 n GLU 136 Cb 0.05 -1.32 -0.16 0.00 -0.02 0.00 0.00 31.44 30.00 1n20 n GLU 136 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1n20 s HIS 137 N -1.50 2.41 0.25 -0.32 3.76 -1.18 -5.01 115.29 113.69 1n20 s HIS 137 Ca 0.00 -1.82 -0.06 0.00 -0.15 0.00 0.00 55.06 53.03 1n20 s HIS 137 Cb 0.00 -1.66 0.25 0.00 1.11 0.00 0.00 32.58 32.28 1n20 s HIS 137 CO 0.00 -0.79 1.91 0.87 -0.85 0.00 0.00 174.74 175.88 1n20 h LYS 138 N 7.95 1.29 -0.97 1.40 1.57 -1.87 -2.49 116.57 123.44 1n20 h LYS 138 Ca -0.17 -0.10 0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1n20 h LYS 138 Cb 1.07 -0.28 -0.09 0.00 0.08 0.00 0.00 32.23 33.01 1n20 h LYS 138 CO 0.42 0.89 0.59 0.00 -0.57 0.00 0.00 179.45 180.77 1n20 n PHE 140 N -4.71 0.00 -2.04 0.00 0.99 -0.94 -4.86 117.46 105.91 1n20 n PHE 140 Ca 0.20 -0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1n20 n PHE 140 Cb 0.42 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.75 1n20 n PHE 140 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1n20 n ASP 149 N 0.42 -3.00 0.18 4.37 2.03 -1.26 -4.90 116.55 114.39 1n20 n ASP 149 Ca 0.00 1.25 -0.16 0.00 0.52 0.00 0.00 54.79 56.40 1n20 n ASP 149 Cb 0.29 -2.68 -0.08 0.00 -0.72 0.00 0.00 41.12 37.93 1n20 n ASP 149 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1n20 h LEU 150 N 3.98 -1.30 -0.67 -2.67 5.85 -1.99 -0.34 115.31 118.18 1n20 h LEU 150 Ca 0.00 0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1n20 h LEU 150 Cb 0.00 0.46 -0.12 0.00 0.37 0.00 0.00 40.66 41.37 1n20 h LEU 150 CO 0.00 -0.55 -0.08 0.22 -0.34 0.00 0.00 178.44 177.69 1n20 h TYR 151 N -0.78 -0.19 -0.26 1.25 3.20 -1.89 0.17 116.97 118.48 1n20 h TYR 151 Ca -0.01 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1n20 h TYR 151 Cb 0.74 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1n20 h TYR 151 CO -0.33 -0.24 -0.10 0.35 -1.64 0.00 0.00 178.16 176.20 1n20 h PHE 152 N 0.06 0.60 0.50 -3.82 3.57 -1.92 -2.06 116.94 113.87 1n20 h PHE 152 Ca 0.34 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1n20 h PHE 152 Cb 0.55 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1n20 h PHE 152 CO -0.46 0.77 -0.26 1.15 -2.23 0.00 0.00 178.31 177.28 1n20 h THR 153 N 0.26 0.46 -0.82 4.41 2.02 -0.30 -0.44 112.91 118.51 1n20 h THR 153 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1n20 h THR 153 Cb 0.60 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1n20 h THR 153 CO 0.03 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.45 1n20 h ALA 154 N -0.22 1.06 -0.41 6.16 0.00 -1.06 0.46 119.26 125.25 1n20 h ALA 154 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1n20 h ALA 154 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n20 h ALA 154 CO 0.09 0.38 -0.16 1.25 0.00 0.00 0.00 179.25 180.82 1n20 h LEU 155 N 1.05 0.85 -0.29 0.00 5.85 -1.29 -2.44 115.31 119.04 1n20 h LEU 155 Ca 0.32 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1n20 h LEU 155 Cb -0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1n20 h LEU 155 CO -0.10 1.05 -0.20 1.23 -0.34 0.00 0.00 178.44 180.08 1n20 h GLY 156 N 0.65 0.72 0.79 3.75 0.00 -0.81 -1.70 103.07 106.46 1n20 h GLY 156 Ca 0.10 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.79 1n20 h GLY 156 CO 0.05 0.62 0.48 -2.75 0.00 0.00 0.00 176.54 174.95 1n20 h PHE 157 N 0.41 0.90 0.71 5.60 3.57 -0.92 0.42 116.94 127.62 1n20 h PHE 157 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1n20 h PHE 157 Cb 0.75 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.21 1n20 h PHE 157 CO 0.07 0.48 -0.34 -0.09 -2.23 0.00 0.00 178.31 176.20 1n20 h ARG 158 N 0.91 -0.92 -0.32 1.11 2.43 -1.32 -1.68 114.38 114.60 1n20 h ARG 158 Ca 0.33 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1n20 h ARG 158 Cb 0.10 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1n20 h ARG 158 CO -0.15 -0.59 0.10 -0.07 -1.51 0.00 0.00 179.97 177.75 1n20 h LEU 159 N -1.19 0.41 -0.01 3.80 3.38 -1.21 -1.21 115.31 119.27 1n20 h LEU 159 Ca -0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1n20 h LEU 159 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1n20 h LEU 159 CO 0.16 0.40 -0.06 -0.07 0.09 0.00 0.00 178.44 178.96 1n20 h LEU 160 N 0.45 0.07 -0.77 1.67 3.38 -0.96 -2.75 115.31 116.40 1n20 h LEU 160 Ca 0.11 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1n20 h LEU 160 Cb 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1n20 h LEU 160 CO -0.01 0.73 0.50 -0.09 0.09 0.00 0.00 178.44 179.66 1n20 h ARG 161 N -0.59 0.97 -0.01 1.13 2.43 -1.20 -0.93 114.38 116.19 1n20 h ARG 161 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1n20 h ARG 161 Cb 0.73 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1n20 h ARG 161 CO 0.01 0.64 0.00 1.96 -1.51 0.00 0.00 179.97 181.08 1n20 h GLN 162 N 1.00 0.00 -0.67 0.20 4.20 -1.26 -2.16 115.11 116.42 1n20 h GLN 162 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1n20 h GLN 162 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1n20 h GLN 162 CO -0.08 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.80 1n20 n HIS 163 N -4.53 1.31 -0.27 2.96 8.25 -0.42 -4.92 115.22 117.60 1n20 n HIS 163 Ca -0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1n20 n HIS 163 Cb 0.10 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1n20 n HIS 163 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 164 N 0.61 1.00 3.76 -1.41 0.00 -0.81 -5.05 105.19 103.29 1n20 n GLY 164 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1n20 n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n20 s PHE 165 N -2.73 3.54 -0.63 1.61 0.40 -0.82 -4.98 117.98 114.37 1n20 s PHE 165 Ca 0.00 1.71 -0.22 0.00 -0.60 0.00 0.00 56.93 57.82 1n20 s PHE 165 Cb 0.00 -3.21 0.07 0.00 0.51 0.00 0.00 43.02 40.39 1n20 s PHE 165 CO 0.00 -0.47 0.91 1.21 0.70 0.00 0.00 175.22 177.57 1n20 s ASN 166 N -1.09 6.19 -0.07 1.36 2.47 -1.26 -4.19 114.94 118.36 1n20 s ASN 166 Ca 0.48 -0.99 0.05 0.00 0.42 0.00 0.00 52.86 52.82 1n20 s ASN 166 Cb -0.29 -2.40 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 1n20 s ASN 166 CO 0.37 -1.35 -0.23 -0.63 -3.72 0.00 0.00 177.10 171.53 1n20 s ILE 167 N 3.79 2.23 0.62 -5.21 1.01 -1.26 -5.11 121.20 117.27 1n20 s ILE 167 Ca 0.21 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 1n20 s ILE 167 Cb -0.18 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1n20 s ILE 167 CO 0.10 0.57 1.04 -0.55 0.00 0.00 0.00 174.94 176.10 1n20 s SER 168 N -0.14 5.90 0.40 3.58 0.15 -1.26 -4.95 113.70 117.38 1n20 s SER 168 Ca -0.04 1.61 0.20 0.00 0.70 0.00 0.00 55.95 58.42 1n20 s SER 168 Cb -0.14 -2.50 0.81 0.00 -1.71 0.00 0.00 66.02 62.48 1n20 s SER 168 CO 0.04 -1.09 1.80 0.06 1.20 0.00 0.00 173.24 175.25 1n20 h GLN 169 N -0.05 0.00 0.00 5.44 3.07 -2.00 -3.10 115.11 118.47 1n20 h GLN 169 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1n20 h GLN 169 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1n20 h GLN 169 CO 0.59 0.33 0.06 -0.25 0.09 0.00 0.00 178.83 179.64 1n20 n ASP 170 N -3.60 0.00 0.09 0.06 8.00 -1.26 -2.03 116.55 117.82 1n20 n ASP 170 Ca -0.01 0.33 0.09 0.00 0.71 0.00 0.00 54.79 55.91 1n20 n ASP 170 Cb 0.45 -0.33 0.40 0.00 -0.02 0.00 0.00 41.12 41.63 1n20 n ASP 170 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n20 n VAL 171 N -1.31 1.13 -0.76 2.53 0.31 -1.17 -1.65 118.33 117.40 1n20 n VAL 171 Ca 0.00 0.43 0.08 0.00 -0.01 0.00 0.00 64.34 64.85 1n20 n VAL 171 Cb 0.06 -1.37 0.32 0.00 -0.91 0.00 0.00 33.84 31.94 1n20 n VAL 171 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1n20 n PHE 172 N -1.98 1.40 0.14 3.52 3.01 -0.86 -4.33 117.46 118.36 1n20 n PHE 172 Ca 0.01 -0.71 0.01 0.00 1.01 0.00 0.00 57.45 57.77 1n20 n PHE 172 Cb 0.12 -0.32 0.07 0.00 -0.01 0.00 0.00 39.48 39.34 1n20 n PHE 172 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1n20 h ASN 173 N 3.20 0.00 0.08 4.37 -0.26 -1.55 -3.10 115.58 118.32 1n20 h ASN 173 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1n20 h ASN 173 Cb 1.53 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.79 1n20 h ASN 173 CO 0.28 0.57 0.00 0.00 -1.06 0.00 0.00 177.43 177.22 1n20 n PHE 175 N -2.62 0.99 -3.73 0.00 3.01 -1.17 -4.95 117.46 108.99 1n20 n PHE 175 Ca -0.02 -0.57 -0.33 0.00 1.01 0.00 0.00 57.45 57.55 1n20 n PHE 175 Cb 0.07 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.38 1n20 n PHE 175 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1n20 s LYS 176 N -1.43 3.59 1.06 -1.08 1.02 -0.82 -0.71 119.74 121.39 1n20 s LYS 176 Ca 0.42 -0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 1n20 s LYS 176 Cb 0.25 -2.96 0.23 0.00 -0.52 0.00 0.00 37.83 34.83 1n20 s LYS 176 CO 0.24 0.55 1.06 0.54 -0.92 0.00 0.00 175.35 176.82 1n20 s ASN 177 N -2.17 1.88 0.60 2.83 2.20 -0.59 -4.73 114.94 114.96 1n20 s ASN 177 Ca 0.35 1.51 0.30 0.00 -0.94 0.00 0.00 52.86 54.08 1n20 s ASN 177 Cb -0.13 -2.21 1.14 0.00 -2.00 0.00 0.00 41.25 38.06 1n20 s ASN 177 CO 0.22 -3.64 1.46 -0.33 -2.94 0.00 0.00 177.10 171.88 1n20 h GLU 178 N -2.24 0.00 0.22 3.55 5.08 -1.98 0.17 114.58 119.38 1n20 h GLU 178 Ca -0.56 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.49 1n20 h GLU 178 Cb 1.32 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.60 1n20 h GLU 178 CO 0.52 0.00 -1.39 0.87 -1.00 0.00 0.00 179.01 178.01 1n20 h LYS 179 N 0.00 0.46 0.00 2.33 1.57 -1.95 -3.49 116.57 115.50 1n20 h LYS 179 Ca 0.50 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1n20 h LYS 179 Cb 2.68 0.29 0.00 0.00 0.08 0.00 0.00 32.23 35.28 1n20 h LYS 179 CO -0.01 1.38 0.00 0.41 -0.57 0.00 0.00 179.45 180.66 1n20 n GLY 180 N 1.73 0.85 0.01 3.86 0.00 0.60 -4.98 105.19 107.27 1n20 n GLY 180 Ca -0.18 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.57 1n20 n GLY 180 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n20 n ILE 181 N -2.29 0.00 -3.98 -0.61 -5.35 -1.26 -4.98 119.36 100.88 1n20 n ILE 181 Ca 0.00 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 1n20 n ILE 181 Cb 0.01 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.27 1n20 n ILE 181 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1n20 s ASP 182 N -3.47 0.44 0.23 7.28 1.01 -1.26 -5.07 116.67 115.83 1n20 s ASP 182 Ca -0.03 -1.27 -0.14 0.00 0.71 0.00 0.00 52.55 51.83 1n20 s ASP 182 Cb 0.11 0.71 -0.08 0.00 1.01 0.00 0.00 42.92 44.67 1n20 s ASP 182 CO 0.67 -1.39 0.63 -0.36 0.21 0.00 0.00 175.17 174.93 1n20 s PHE 183 N -3.02 3.51 -0.16 4.23 0.40 -1.26 -1.54 117.98 120.14 1n20 s PHE 183 Ca 0.24 1.12 -0.32 0.00 -0.60 0.00 0.00 56.93 57.37 1n20 s PHE 183 Cb -0.02 -2.43 -0.09 0.00 0.51 0.00 0.00 43.02 40.99 1n20 s PHE 183 CO 0.15 0.28 2.08 1.63 0.70 0.00 0.00 175.22 180.06 1n20 n LYS 184 N 0.25 2.01 0.15 0.44 5.02 0.12 -4.67 118.16 121.49 1n20 n LYS 184 Ca -0.01 0.65 0.19 0.00 -2.02 0.00 0.00 58.31 57.12 1n20 n LYS 184 Cb 0.52 -2.87 0.73 0.00 -0.02 0.00 0.00 35.03 33.39 1n20 n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n20 h ALA 185 N 12.07 1.93 -0.37 7.82 0.00 -1.94 -0.41 119.26 138.35 1n20 h ALA 185 Ca -0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1n20 h ALA 185 Cb 1.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1n20 h ALA 185 CO 0.96 -0.63 0.10 0.66 0.00 0.00 0.00 179.25 180.35 1n20 h SER 186 N 0.00 0.49 -0.45 0.00 4.64 -1.99 -2.62 113.55 113.61 1n20 h SER 186 Ca 0.15 -0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 1n20 h SER 186 Cb 1.08 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1n20 h SER 186 CO -0.00 0.49 0.32 -0.07 -0.87 0.00 0.00 176.83 176.69 1n20 h LEU 187 N 0.53 0.12 -1.70 5.97 3.38 -1.44 -2.37 115.31 119.79 1n20 h LEU 187 Ca 0.13 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.41 1n20 h LEU 187 Cb 0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1n20 h LEU 187 CO -0.01 0.07 0.76 0.00 0.09 0.00 0.00 178.44 179.36 1n20 h ALA 188 N 1.77 2.71 0.00 1.53 0.00 -1.64 0.92 119.26 124.55 1n20 h ALA 188 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n20 h ALA 188 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n20 h ALA 188 CO -0.03 -1.09 0.00 0.37 0.00 0.00 0.00 179.25 178.51 1n20 h GLN 189 N 0.17 0.00 -4.74 0.00 4.15 -1.64 -3.37 115.11 109.69 1n20 h GLN 189 Ca 0.58 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 59.27 1n20 h GLN 189 Cb 1.93 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 29.45 1n20 h GLN 189 CO -0.15 0.00 1.46 -3.47 -1.93 0.00 0.00 178.83 174.74 1n20 n ASP 190 N -3.04 5.20 0.00 -0.69 2.03 0.32 -4.85 116.55 115.51 1n20 n ASP 190 Ca 0.01 -2.98 -0.10 0.00 0.52 0.00 0.00 54.79 52.24 1n20 n ASP 190 Cb 0.34 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.12 1n20 n ASP 190 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1n20 h THR 191 N 4.64 0.80 -0.80 5.18 2.02 -1.79 0.22 112.91 123.17 1n20 h THR 191 Ca 0.33 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.67 1n20 h THR 191 Cb 0.85 0.80 -0.10 0.00 -1.74 0.00 0.00 68.15 67.96 1n20 h THR 191 CO 1.28 0.00 0.34 0.50 0.37 0.00 0.00 175.52 178.02 1n20 h LYS 192 N -0.07 0.46 -0.26 6.66 3.64 -1.96 -0.44 116.57 124.60 1n20 h LYS 192 Ca 0.06 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1n20 h LYS 192 Cb 0.16 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1n20 h LYS 192 CO -0.14 0.30 -0.36 0.78 -2.27 0.00 0.00 179.45 177.75 1n20 h GLY 193 N 0.47 0.77 0.78 5.01 0.00 -1.76 -3.20 103.07 105.14 1n20 h GLY 193 Ca 0.45 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.98 1n20 h GLY 193 CO -0.42 0.76 0.38 -0.33 0.00 0.00 0.00 176.54 176.93 1n20 h MET 194 N 0.43 0.71 -0.91 4.80 2.86 0.77 -2.07 114.93 121.53 1n20 h MET 194 Ca 0.03 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1n20 h MET 194 Cb 0.95 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1n20 h MET 194 CO 0.09 0.47 0.60 1.25 1.06 0.00 0.00 176.91 180.37 1n20 h LEU 195 N 0.73 0.95 -0.73 1.22 5.85 -1.16 -1.10 115.31 121.07 1n20 h LEU 195 Ca 0.28 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.86 1n20 h LEU 195 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1n20 h LEU 195 CO -0.14 0.63 -0.56 1.56 -0.34 0.00 0.00 178.44 179.59 1n20 h GLN 196 N 1.09 0.23 -0.18 1.25 1.08 -1.41 -2.47 115.11 114.70 1n20 h GLN 196 Ca 0.38 -0.14 -0.17 0.00 -1.45 0.00 0.00 58.65 57.27 1n20 h GLN 196 Cb 0.12 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1n20 h GLN 196 CO -0.13 0.72 -0.59 1.25 -0.95 0.00 0.00 178.83 179.13 1n20 h LEU 197 N 0.17 0.65 0.37 1.46 5.85 -0.68 -2.04 115.31 121.09 1n20 h LEU 197 Ca 0.00 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1n20 h LEU 197 Cb 1.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1n20 h LEU 197 CO 0.09 1.09 -0.18 0.22 -0.34 0.00 0.00 178.44 179.31 1n20 h TYR 198 N 0.43 -0.47 -0.74 1.25 3.20 -1.14 -1.94 116.97 117.57 1n20 h TYR 198 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1n20 h TYR 198 Cb 1.14 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 1n20 h TYR 198 CO 0.05 -0.26 0.44 0.93 -1.64 0.00 0.00 178.16 177.68 1n20 h GLU 199 N -0.55 0.78 0.00 1.82 4.39 -1.43 -2.19 114.58 117.39 1n20 h GLU 199 Ca -0.05 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1n20 h GLU 199 Cb 0.42 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1n20 h GLU 199 CO 0.08 0.52 -0.25 0.00 -1.16 0.00 0.00 179.01 178.20 1n20 h ALA 200 N 1.36 1.18 0.00 3.43 0.00 -1.25 -3.06 119.26 120.92 1n20 h ALA 200 Ca 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n20 h ALA 200 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n20 h ALA 200 CO -0.17 0.31 -0.18 0.66 0.00 0.00 0.00 179.25 179.87 1n20 h SER 201 N 0.00 0.00 -0.03 0.00 4.64 -0.68 -2.76 113.55 114.72 1n20 h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n20 h SER 201 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1n20 h SER 201 CO 0.03 0.18 0.00 0.49 -0.87 0.00 0.00 176.83 176.66 1n20 n PHE 202 N -3.62 0.04 -0.58 4.77 3.01 -1.16 -2.75 117.46 117.18 1n20 n PHE 202 Ca -0.01 -0.02 0.10 0.00 1.01 0.00 0.00 57.45 58.52 1n20 n PHE 202 Cb 0.31 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.13 1n20 n PHE 202 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1n20 n LEU 203 N -0.55 4.59 -4.75 4.37 4.32 -1.04 -4.93 117.00 119.01 1n20 n LEU 203 Ca 0.12 -2.36 -0.36 0.00 -0.02 0.00 0.00 56.01 53.39 1n20 n LEU 203 Cb 0.10 -0.56 0.04 0.00 -1.62 0.00 0.00 43.42 41.38 1n20 n LEU 203 CO 0.09 0.85 0.85 -1.48 -1.22 0.00 0.00 177.39 176.48 1n20 s LEU 204 N -1.68 3.65 0.41 2.23 2.34 -1.11 -5.01 118.68 119.51 1n20 s LEU 204 Ca 0.51 2.42 0.04 0.00 0.06 0.00 0.00 54.13 57.15 1n20 s LEU 204 Cb 0.31 -4.60 -0.05 0.00 -0.56 0.00 0.00 46.19 41.30 1n20 s LEU 204 CO 0.26 -1.66 0.05 -0.13 -1.06 0.00 0.00 176.35 173.82 1n20 s ARG 205 N -3.35 1.91 0.09 1.48 0.52 -1.26 -4.56 118.95 113.78 1n20 s ARG 205 Ca 0.78 -2.13 -0.37 0.00 -0.52 0.00 0.00 55.73 53.49 1n20 s ARG 205 Cb -0.31 -1.13 -0.17 0.00 0.52 0.00 0.00 34.95 33.86 1n20 s ARG 205 CO 0.34 -0.27 1.26 1.17 0.02 0.00 0.00 175.30 177.82 1n20 n LYS 206 N -0.94 0.93 -1.00 3.54 4.81 -1.26 -1.92 118.16 122.33 1n20 n LYS 206 Ca -0.08 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1n20 n LYS 206 Cb 0.66 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1n20 n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n20 n GLY 207 N 2.27 0.64 3.32 3.14 0.00 -1.26 -4.99 105.19 108.30 1n20 n GLY 207 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1n20 n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n20 n GLU 208 N -2.61 3.61 -0.03 1.61 1.02 -0.81 -4.84 120.64 118.59 1n20 n GLU 208 Ca 0.00 -4.47 -0.00 0.00 -0.02 0.00 0.00 57.16 52.67 1n20 n GLU 208 Cb 0.01 -2.55 0.29 0.00 -0.02 0.00 0.00 31.44 29.17 1n20 n GLU 208 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1n20 h ASP 209 N 6.56 0.56 -0.79 1.62 3.32 -1.94 -2.77 116.42 122.98 1n20 h ASP 209 Ca 0.18 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1n20 h ASP 209 Cb 0.85 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1n20 h ASP 209 CO 1.04 0.58 0.45 0.74 -1.72 0.00 0.00 179.24 180.33 1n20 h THR 210 N 0.58 0.94 -0.24 0.35 2.02 -1.94 0.34 112.91 114.97 1n20 h THR 210 Ca 0.13 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1n20 h THR 210 Cb 0.27 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1n20 h THR 210 CO 0.00 0.14 -0.43 -0.07 0.37 0.00 0.00 175.52 175.54 1n20 h LEU 211 N 0.79 0.62 -0.53 2.58 3.38 -1.84 0.13 115.31 120.44 1n20 h LEU 211 Ca 0.37 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1n20 h LEU 211 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1n20 h LEU 211 CO -0.22 0.97 -0.11 -0.08 0.09 0.00 0.00 178.44 179.09 1n20 h GLU 212 N 0.48 1.01 -0.75 1.13 4.57 -1.16 -0.87 114.58 118.99 1n20 h GLU 212 Ca 0.04 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 1n20 h GLU 212 Cb 0.94 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 1n20 h GLU 212 CO 0.08 1.07 0.34 1.25 -1.18 0.00 0.00 179.01 180.57 1n20 h LEU 213 N 0.89 0.99 -1.20 1.64 5.85 -0.10 -1.94 115.31 121.44 1n20 h LEU 213 Ca 0.14 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1n20 h LEU 213 Cb 0.68 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1n20 h LEU 213 CO 0.05 0.86 0.10 0.00 -0.34 0.00 0.00 178.44 179.11 1n20 h ALA 214 N 1.17 1.36 -0.46 1.25 0.00 -0.31 -1.85 119.26 120.43 1n20 h ALA 214 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1n20 h ALA 214 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n20 h ALA 214 CO -0.03 0.46 0.20 -0.09 0.00 0.00 0.00 179.25 179.79 1n20 h ARG 215 N 0.64 0.67 -0.38 0.00 2.43 -0.40 0.04 114.38 117.39 1n20 h ARG 215 Ca 0.15 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1n20 h ARG 215 Cb 0.25 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1n20 h ARG 215 CO -0.00 0.59 -0.30 0.93 -1.51 0.00 0.00 179.97 179.68 1n20 h GLU 216 N 0.60 0.83 0.33 0.20 5.08 -1.13 -1.94 114.58 118.54 1n20 h GLU 216 Ca 0.15 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1n20 h GLU 216 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1n20 h GLU 216 CO -0.02 1.02 -0.16 0.35 -1.00 0.00 0.00 179.01 179.20 1n20 h PHE 217 N 0.70 -0.41 0.00 4.33 3.57 -1.19 -2.70 116.94 121.25 1n20 h PHE 217 Ca 0.08 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1n20 h PHE 217 Cb 0.85 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1n20 h PHE 217 CO 0.05 -0.06 -0.13 0.00 -2.23 0.00 0.00 178.31 175.93 1n20 h ALA 218 N -0.45 1.71 0.13 2.41 0.00 -1.06 -1.67 119.26 120.33 1n20 h ALA 218 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n20 h ALA 218 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n20 h ALA 218 CO 0.07 0.17 -0.06 1.15 0.00 0.00 0.00 179.25 180.58 1n20 h THR 219 N 0.00 0.90 -0.15 0.00 2.02 -1.39 0.19 112.91 114.46 1n20 h THR 219 Ca -0.00 -1.27 0.05 0.00 0.77 0.00 0.00 66.41 65.96 1n20 h THR 219 Cb 0.24 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 1n20 h THR 219 CO 0.02 0.25 -0.18 0.11 0.37 0.00 0.00 175.52 176.09 1n20 h LYS 220 N -0.88 -0.20 -0.07 6.66 1.57 -1.45 0.71 116.57 122.91 1n20 h LYS 220 Ca -0.02 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1n20 h LYS 220 Cb 0.54 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1n20 h LYS 220 CO 0.03 -0.13 -0.07 0.00 -0.57 0.00 0.00 179.45 178.70 1n20 h LEU 222 N -0.09 0.55 -0.27 0.00 5.85 -0.22 -2.27 115.31 118.86 1n20 h LEU 222 Ca 0.05 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1n20 h LEU 222 Cb 0.17 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1n20 h LEU 222 CO -0.12 0.83 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.14 1n20 h GLN 223 N 0.46 0.51 -0.36 1.25 5.75 0.65 -3.10 115.11 120.27 1n20 h GLN 223 Ca 0.06 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1n20 h GLN 223 Cb 0.78 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.25 1n20 h GLN 223 CO 0.06 0.72 0.07 -0.22 -2.65 0.00 0.00 178.83 176.82 1n20 h LYS 224 N 0.27 0.19 0.00 1.69 3.64 -0.78 0.31 116.57 121.89 1n20 h LYS 224 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1n20 h LYS 224 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1n20 h LYS 224 CO 0.03 0.13 0.00 1.17 -2.27 0.00 0.00 179.45 178.50 1n20 n LYS 225 N -5.09 0.21 0.00 1.90 3.00 -0.86 -1.18 118.16 116.14 1n20 n LYS 225 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.38 1n20 n LYS 225 Cb 0.16 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.78 1n20 n LYS 225 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1n20 n LEU 226 N -0.88 0.96 -2.55 3.14 7.94 0.09 -5.05 117.00 120.65 1n20 n LEU 226 Ca 0.04 -0.65 -0.36 0.00 -1.11 0.00 0.00 56.01 53.93 1n20 n LEU 226 Cb 0.02 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.03 1n20 n LEU 226 CO 0.03 0.20 1.39 0.47 -1.11 0.00 0.00 177.39 178.37 1n20 n ASP 227 N -0.66 7.41 -1.43 1.96 8.00 -0.33 -5.11 116.55 126.38 1n20 n ASP 227 Ca 0.04 -3.81 -0.07 0.00 0.71 0.00 0.00 54.79 51.66 1n20 n ASP 227 Cb 0.21 -0.97 0.10 0.00 -0.02 0.00 0.00 41.12 40.44 1n20 n ASP 227 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1n20 n ASN 231 N -0.75 2.93 -0.59 -2.24 4.05 -1.26 -5.03 115.26 112.38 1n20 n ASN 231 Ca 0.58 -3.52 0.13 0.00 0.45 0.00 0.00 54.58 52.21 1n20 n ASN 231 Cb 0.51 -0.43 0.42 0.00 1.23 0.00 0.00 39.78 41.51 1n20 n ASN 231 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1n20 n GLU 232 N -0.77 1.80 -4.31 1.20 -0.58 -1.26 -4.90 120.64 111.82 1n20 n GLU 232 Ca 0.27 -1.17 -0.29 0.00 -0.42 0.00 0.00 57.16 55.55 1n20 n GLU 232 Cb 0.85 -1.45 -0.11 0.00 -0.57 0.00 0.00 31.44 30.16 1n20 n GLU 232 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1n20 s ILE 233 N -1.91 2.89 0.36 -3.67 1.01 -1.26 -5.11 121.20 113.52 1n20 s ILE 233 Ca 0.35 -1.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.17 1n20 s ILE 233 Cb 0.20 -2.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 1n20 s ILE 233 CO 0.31 0.04 1.18 -0.67 0.00 0.00 0.00 174.94 175.80 1n20 n ASP 234 N 0.61 2.18 -0.17 3.58 2.03 -1.26 -4.92 116.55 118.60 1n20 n ASP 234 Ca -0.14 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.23 1n20 n ASP 234 Cb 0.53 -1.43 0.01 0.00 -0.72 0.00 0.00 41.12 39.51 1n20 n ASP 234 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1n20 h GLU 235 N 2.17 0.79 -0.23 -0.67 4.11 -1.99 -2.46 114.58 116.30 1n20 h GLU 235 Ca -0.45 -0.20 -0.07 0.00 0.07 0.00 0.00 59.36 58.71 1n20 h GLU 235 Cb 1.31 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1n20 h GLU 235 CO 0.61 0.78 -0.13 -0.91 0.07 0.00 0.00 179.01 179.43 1n20 h ASN 236 N 0.67 0.51 0.06 3.06 2.35 -1.94 -2.84 115.58 117.45 1n20 h ASN 236 Ca 0.15 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1n20 h ASN 236 Cb 0.36 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1n20 h ASN 236 CO 0.01 0.82 -0.06 0.25 -1.65 0.00 0.00 177.43 176.80 1n20 h LEU 237 N 0.20 0.00 0.00 1.61 5.85 -1.95 -2.58 115.31 118.44 1n20 h LEU 237 Ca 0.05 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.53 1n20 h LEU 237 Cb 0.64 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.69 1n20 h LEU 237 CO 0.04 0.06 -0.94 0.25 -0.34 0.00 0.00 178.44 177.50 1n20 h LEU 238 N 0.00 0.82 -0.82 2.25 6.46 -1.32 -2.42 115.31 120.28 1n20 h LEU 238 Ca -0.00 -0.75 0.00 0.00 -0.12 0.00 0.00 57.88 57.01 1n20 h LEU 238 Cb 0.11 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1n20 h LEU 238 CO 0.01 1.46 0.00 -0.07 -0.62 0.00 0.00 178.44 179.22 1n20 h LEU 239 N 0.27 0.00 0.18 2.25 3.38 -1.26 -2.32 115.31 117.81 1n20 h LEU 239 Ca -0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 1n20 h LEU 239 Cb 1.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.37 1n20 h LEU 239 CO 0.19 0.00 -1.67 -0.25 0.09 0.00 0.00 178.44 176.80 1n20 h TRP 240 N 0.00 0.67 -0.43 1.13 2.91 -1.41 -3.05 115.95 115.78 1n20 h TRP 240 Ca 0.00 -0.49 -0.07 0.00 1.13 0.00 0.00 58.89 59.46 1n20 h TRP 240 Cb 0.41 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 1n20 h TRP 240 CO 0.00 1.58 0.01 0.82 -1.03 0.00 0.00 178.44 179.82 1n20 h ILE 241 N 0.10 1.26 -0.66 2.65 2.04 -1.11 -1.78 117.51 120.01 1n20 h ILE 241 Ca -0.31 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.55 1n20 h ILE 241 Cb 2.09 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 1n20 h ILE 241 CO 0.18 0.35 0.44 0.03 0.00 0.00 0.00 178.15 179.15 1n20 h ARG 242 N 0.59 0.87 0.24 2.37 3.08 -1.55 0.66 114.38 120.64 1n20 h ARG 242 Ca 0.12 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1n20 h ARG 242 Cb 0.48 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1n20 h ARG 242 CO 0.02 0.57 -0.36 1.25 -1.07 0.00 0.00 179.97 180.39 1n20 h HIS 243 N 0.89 -0.97 0.00 3.04 2.76 -1.38 -2.20 115.15 117.29 1n20 h HIS 243 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1n20 h HIS 243 Cb -0.10 0.40 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1n20 h HIS 243 CO -0.03 -0.48 -0.12 0.77 -1.30 0.00 0.00 177.93 176.77 1n20 h SER 244 N -0.66 0.00 0.69 3.26 0.02 -1.04 -2.18 113.55 113.63 1n20 h SER 244 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1n20 h SER 244 Cb 0.64 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1n20 h SER 244 CO -0.14 0.12 -0.76 -0.07 -1.14 0.00 0.00 176.83 174.84 1n20 h LEU 245 N 0.00 0.07 -0.02 5.07 3.38 -0.48 -1.55 115.31 121.79 1n20 h LEU 245 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1n20 h LEU 245 Cb 0.41 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1n20 h LEU 245 CO 0.02 0.80 -0.01 0.44 0.09 0.00 0.00 178.44 179.78 1n20 h ASP 246 N 0.03 0.04 -2.25 -0.43 3.32 -0.82 -3.44 116.42 112.86 1n20 h ASP 246 Ca -0.01 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1n20 h ASP 246 Cb 1.34 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.63 1n20 h ASP 246 CO 0.10 0.48 -0.29 -0.76 -1.72 0.00 0.00 179.24 177.05 1n20 s LEU 247 N -9.30 -0.85 0.98 1.55 1.43 -0.88 -5.13 118.68 106.49 1n20 s LEU 247 Ca -0.16 1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 54.00 1n20 s LEU 247 Cb 0.02 1.71 0.18 0.00 0.03 0.00 0.00 46.19 48.14 1n20 s LEU 247 CO 0.68 -0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.98 1n20 s PRO 248 N 2.72 0.48 0.43 1.29 0.04 -0.59 -3.98 135.00 135.38 1n20 s PRO 248 Ca -0.02 1.36 0.12 0.00 0.04 0.00 0.00 61.00 62.50 1n20 s PRO 248 Cb -0.12 -1.68 0.98 0.00 0.04 0.00 0.00 34.50 33.72 1n20 s PRO 248 CO -0.15 -2.94 2.00 -0.07 0.04 0.00 0.00 177.00 175.88 1n20 h LEU 249 N -2.08 0.40 -2.57 -3.56 3.38 -1.92 0.28 115.31 109.24 1n20 h LEU 249 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1n20 h LEU 249 Cb 1.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1n20 h LEU 249 CO 0.44 0.26 0.00 -0.74 0.09 0.00 0.00 178.44 178.48 1n20 h HIS 250 N 0.45 0.00 -0.44 1.13 2.76 -1.89 -1.41 115.15 115.75 1n20 h HIS 250 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1n20 h HIS 250 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1n20 h HIS 250 CO -0.00 0.00 0.00 0.91 -1.30 0.00 0.00 177.93 177.54 1n20 n TRP 251 N -3.07 1.05 -4.47 5.26 7.02 0.08 -4.98 117.44 118.33 1n20 n TRP 251 Ca -0.02 -0.67 -0.23 0.00 -1.02 0.00 0.00 57.50 55.56 1n20 n TRP 251 Cb 0.13 -0.21 -0.10 0.00 -2.42 0.00 0.00 31.31 28.71 1n20 n TRP 251 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n20 s ARG 252 N -1.94 1.66 -0.13 -0.99 0.52 -0.53 -4.81 118.95 112.73 1n20 s ARG 252 Ca 0.41 -1.81 0.02 0.00 -0.52 0.00 0.00 55.73 53.82 1n20 s ARG 252 Cb 0.28 -1.54 0.01 0.00 0.52 0.00 0.00 34.95 34.22 1n20 s ARG 252 CO 0.17 0.18 -0.18 0.42 0.02 0.00 0.00 175.30 175.91 1n20 s ILE 253 N -2.71 1.75 0.22 1.52 1.01 -1.26 -4.98 121.20 116.75 1n20 s ILE 253 Ca 0.30 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1n20 s ILE 253 Cb 0.00 -1.58 0.16 0.00 0.01 0.00 0.00 42.46 41.05 1n20 s ILE 253 CO 0.14 0.49 1.79 -0.61 0.00 0.00 0.00 174.94 176.75 1n20 h GLN 254 N 7.47 0.61 0.00 2.79 -0.00 -1.92 -1.01 115.11 123.06 1n20 h GLN 254 Ca -0.33 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.27 1n20 h GLN 254 Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 28.52 1n20 h GLN 254 CO 0.53 0.41 -0.04 0.66 0.00 0.00 0.00 178.83 180.38 1n20 h SER 255 N 0.63 0.00 0.07 -0.69 4.64 -1.91 0.16 113.55 116.45 1n20 h SER 255 Ca 0.33 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.45 1n20 h SER 255 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1n20 h SER 255 CO -0.23 0.04 -1.02 0.58 -0.87 0.00 0.00 176.83 175.33 1n20 h VAL 256 N 0.00 1.22 -0.91 0.95 2.07 -1.53 -3.36 116.25 114.68 1n20 h VAL 256 Ca -0.00 -2.36 -0.53 0.00 0.82 0.00 0.00 66.70 64.63 1n20 h VAL 256 Cb 0.16 2.81 -0.28 0.00 -1.52 0.00 0.00 31.29 32.46 1n20 h VAL 256 CO 0.01 0.60 0.58 -0.62 0.02 0.00 0.00 177.57 178.16 1n20 n GLU 257 N -4.19 2.39 -0.32 1.57 1.02 -0.76 -4.67 120.64 115.68 1n20 n GLU 257 Ca -0.22 -3.17 0.07 0.00 -0.02 0.00 0.00 57.16 53.82 1n20 n GLU 257 Cb 0.76 -2.17 0.23 0.00 -0.02 0.00 0.00 31.44 30.24 1n20 n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n20 h ALA 258 N 1.36 1.38 -0.40 0.62 0.00 -0.85 -1.96 119.26 119.41 1n20 h ALA 258 Ca 0.57 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.46 1n20 h ALA 258 Cb 2.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1n20 h ALA 258 CO 1.16 0.04 -0.05 -0.09 0.00 0.00 0.00 179.25 180.31 1n20 h ARG 259 N 0.78 0.74 -0.69 0.00 2.43 -1.86 -1.97 114.38 113.82 1n20 h ARG 259 Ca 0.47 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1n20 h ARG 259 Cb 0.58 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1n20 h ARG 259 CO -0.31 0.85 0.28 2.35 -1.51 0.00 0.00 179.97 181.63 1n20 h TRP 260 N 0.56 1.01 -0.27 2.20 7.01 -1.74 -0.24 115.95 124.48 1n20 h TRP 260 Ca 0.11 -0.06 -0.19 0.00 2.11 0.00 0.00 58.89 60.86 1n20 h TRP 260 Cb 0.56 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1n20 h TRP 260 CO 0.04 0.77 -0.56 0.74 -2.79 0.00 0.00 178.44 176.65 1n20 h PHE 261 N 0.99 1.08 -0.19 2.65 -1.00 -1.29 -1.37 116.94 117.80 1n20 h PHE 261 Ca 0.23 -0.39 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 1n20 h PHE 261 Cb 0.18 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1n20 h PHE 261 CO 0.01 1.22 -0.05 0.82 -1.61 0.00 0.00 178.31 178.71 1n20 h ILE 262 N 0.62 1.29 -0.75 -0.55 2.04 -1.20 -1.65 117.51 117.31 1n20 h ILE 262 Ca 0.01 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 64.91 1n20 h ILE 262 Cb 1.17 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1n20 h ILE 262 CO 0.12 0.31 0.43 0.44 0.00 0.00 0.00 178.15 179.45 1n20 h ASP 263 N 0.08 0.64 0.12 1.72 3.32 -1.05 -0.81 116.42 120.44 1n20 h ASP 263 Ca 0.05 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1n20 h ASP 263 Cb 0.49 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1n20 h ASP 263 CO 0.02 0.40 -0.22 0.00 -1.72 0.00 0.00 179.24 177.71 1n20 h ALA 264 N 1.39 1.42 -0.28 3.45 0.00 -1.10 -2.94 119.26 121.19 1n20 h ALA 264 Ca 0.34 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1n20 h ALA 264 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n20 h ALA 264 CO -0.20 0.41 -0.30 -0.92 0.00 0.00 0.00 179.25 178.24 1n20 h TYR 265 N 0.18 0.83 0.00 0.00 3.20 -0.19 -3.04 116.97 117.95 1n20 h TYR 265 Ca 0.03 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1n20 h TYR 265 Cb 0.50 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1n20 h TYR 265 CO 0.01 1.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.53 1n20 h ALA 266 N 0.69 1.00 -0.01 1.82 0.00 -1.14 -1.90 119.26 119.73 1n20 h ALA 266 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n20 h ALA 266 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1n20 h ALA 266 CO 0.07 0.00 -0.31 0.54 0.00 0.00 0.00 179.25 179.55 1n20 n ARG 267 N -2.51 0.95 -2.66 0.00 1.74 -1.15 -4.92 116.66 108.11 1n20 n ARG 267 Ca -0.01 -0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 56.02 1n20 n ARG 267 Cb 0.11 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1n20 n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n20 s ARG 268 N -2.49 4.64 0.30 5.56 0.52 -0.71 -4.95 118.95 121.82 1n20 s ARG 268 Ca 0.23 1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 56.95 1n20 s ARG 268 Cb 0.19 -3.37 0.48 0.00 0.52 0.00 0.00 34.95 32.77 1n20 s ARG 268 CO 0.53 0.12 1.93 -1.00 0.02 0.00 0.00 175.30 176.90 1n20 h PRO 269 N 5.74 1.06 -0.90 3.54 0.13 -1.91 -1.75 132.00 137.90 1n20 h PRO 269 Ca -0.43 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1n20 h PRO 269 Cb 1.21 -0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 1n20 h PRO 269 CO 0.73 0.70 0.14 -0.40 -0.23 0.00 0.00 178.00 178.94 1n20 n ASP 270 N -4.45 3.23 -4.72 1.44 5.75 -1.26 -4.96 116.55 111.58 1n20 n ASP 270 Ca 0.12 -2.56 -0.42 0.00 -0.01 0.00 0.00 54.79 51.92 1n20 n ASP 270 Cb 0.12 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 1n20 n ASP 270 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1n20 s MET 271 N -1.64 4.13 -0.43 0.11 1.75 -0.66 -4.97 119.30 117.59 1n20 s MET 271 Ca 0.25 2.58 -0.18 0.00 -1.25 0.00 0.00 55.69 57.08 1n20 s MET 271 Cb 0.20 -3.08 0.03 0.00 2.84 0.00 0.00 34.83 34.82 1n20 s MET 271 CO 0.06 -0.72 0.50 1.21 -0.65 0.00 0.00 175.02 175.42 1n20 s ASN 272 N 1.10 6.23 0.58 1.11 3.84 -1.26 -4.95 114.94 121.58 1n20 s ASN 272 Ca 0.73 -0.63 0.30 0.00 0.21 0.00 0.00 52.86 53.47 1n20 s ASN 272 Cb -0.49 -2.25 1.43 0.00 -0.55 0.00 0.00 41.25 39.39 1n20 s ASN 272 CO 0.34 -0.66 1.82 -0.65 -2.79 0.00 0.00 177.10 175.15 1n20 h PRO 273 N 8.79 0.00 0.18 0.43 0.11 -1.98 -0.51 132.00 139.02 1n20 h PRO 273 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1n20 h PRO 273 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n20 h PRO 273 CO 0.84 0.00 -0.09 1.25 -0.21 0.00 0.00 178.00 179.79 1n20 h LEU 274 N 0.00 -0.20 -1.04 2.35 6.46 -1.99 -1.63 115.31 119.26 1n20 h LEU 274 Ca 0.34 -0.26 0.13 0.00 -0.12 0.00 0.00 57.88 57.97 1n20 h LEU 274 Cb 1.63 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.52 1n20 h LEU 274 CO -0.00 0.35 0.63 0.40 -0.62 0.00 0.00 178.44 179.19 1n20 h ILE 275 N -0.96 0.88 -0.56 4.05 2.04 -1.74 -0.75 117.51 120.47 1n20 h ILE 275 Ca -0.02 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1n20 h ILE 275 Cb 0.45 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1n20 h ILE 275 CO 0.04 0.17 -0.01 0.15 0.00 0.00 0.00 178.15 178.50 1n20 h PHE 276 N 0.94 1.07 -0.40 1.37 3.57 -1.17 -1.35 116.94 120.97 1n20 h PHE 276 Ca 0.51 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 1n20 h PHE 276 Cb 0.57 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1n20 h PHE 276 CO -0.00 0.96 0.03 1.49 -2.23 0.00 0.00 178.31 178.56 1n20 h GLU 277 N 0.90 0.69 -0.46 1.11 4.81 -0.15 -2.52 114.58 118.96 1n20 h GLU 277 Ca 0.16 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1n20 h GLU 277 Cb 0.55 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1n20 h GLU 277 CO 0.03 0.76 0.15 1.25 -0.73 0.00 0.00 179.01 180.47 1n20 h LEU 278 N 0.53 0.66 -1.14 1.64 5.85 -1.20 0.67 115.31 122.33 1n20 h LEU 278 Ca 0.12 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1n20 h LEU 278 Cb 0.43 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1n20 h LEU 278 CO 0.01 0.69 0.60 0.00 -0.34 0.00 0.00 178.44 179.40 1n20 h ALA 279 N 1.00 1.57 0.18 1.25 0.00 -1.15 0.25 119.26 122.37 1n20 h ALA 279 Ca 0.15 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1n20 h ALA 279 Cb 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n20 h ALA 279 CO -0.01 0.24 -1.50 1.57 0.00 0.00 0.00 179.25 179.55 1n20 h LYS 280 N 0.96 0.38 -0.24 0.00 2.10 -1.17 -2.43 116.57 116.17 1n20 h LYS 280 Ca 0.43 -0.65 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 1n20 h LYS 280 Cb 0.37 0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1n20 h LYS 280 CO -0.19 1.29 0.09 1.25 -2.00 0.00 0.00 179.45 179.89 1n20 h LEU 281 N 0.10 0.33 -0.31 7.07 5.85 -0.41 -0.19 115.31 127.75 1n20 h LEU 281 Ca -0.24 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1n20 h LEU 281 Cb 2.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 1n20 h LEU 281 CO 0.21 0.42 0.20 -1.13 -0.34 0.00 0.00 178.44 177.80 1n20 h ASN 282 N 0.23 0.34 -0.31 1.25 -1.24 -0.63 -0.41 115.58 114.81 1n20 h ASN 282 Ca 0.08 -0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.15 1n20 h ASN 282 Cb 0.19 -0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.10 1n20 h ASN 282 CO -0.01 0.25 -0.08 0.15 -1.29 0.00 0.00 177.43 176.45 1n20 h PHE 283 N 0.41 -0.17 -0.27 0.67 3.57 -1.16 0.30 116.94 120.29 1n20 h PHE 283 Ca 0.12 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1n20 h PHE 283 Cb -0.04 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1n20 h PHE 283 CO -0.06 -0.14 -0.18 -0.91 -2.23 0.00 0.00 178.31 174.79 1n20 h ASN 284 N -0.00 0.47 -0.14 0.41 2.35 -0.65 -0.90 115.58 117.11 1n20 h ASN 284 Ca 0.15 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1n20 h ASN 284 Cb 0.23 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1n20 h ASN 284 CO -0.32 0.67 -0.24 0.40 -1.65 0.00 0.00 177.43 176.28 1n20 h ILE 285 N 0.43 1.37 -0.25 2.81 2.04 -0.52 -2.34 117.51 121.05 1n20 h ILE 285 Ca 0.07 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1n20 h ILE 285 Cb 0.57 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1n20 h ILE 285 CO 0.04 0.44 -0.10 0.40 0.00 0.00 0.00 178.15 178.93 1n20 h ILE 286 N 0.00 1.20 -0.66 -0.67 2.04 -0.86 -1.86 117.51 116.71 1n20 h ILE 286 Ca 0.01 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1n20 h ILE 286 Cb 0.83 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1n20 h ILE 286 CO 0.06 0.28 0.40 -0.61 0.00 0.00 0.00 178.15 178.28 1n20 h GLN 287 N 0.38 0.90 -0.51 2.37 4.15 -1.05 0.94 115.11 122.29 1n20 h GLN 287 Ca 0.08 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1n20 h GLN 287 Cb 0.41 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1n20 h GLN 287 CO 0.02 0.64 0.30 0.00 -1.93 0.00 0.00 178.83 177.86 1n20 h ALA 288 N 1.21 0.65 -0.48 3.38 0.00 -0.79 0.09 119.26 123.31 1n20 h ALA 288 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1n20 h ALA 288 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n20 h ALA 288 CO -0.04 -0.00 0.28 1.15 0.00 0.00 0.00 179.25 180.63 1n20 h THR 289 N 0.59 1.16 -0.98 0.00 2.02 -0.88 -2.25 112.91 112.58 1n20 h THR 289 Ca 0.21 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.05 1n20 h THR 289 Cb 0.03 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1n20 h THR 289 CO -0.10 0.17 0.63 0.45 0.37 0.00 0.00 175.52 177.04 1n20 h HIS 290 N 0.64 1.18 -0.54 3.16 -0.00 -0.07 -1.30 115.15 118.23 1n20 h HIS 290 Ca 0.17 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 1n20 h HIS 290 Cb 0.02 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.02 1n20 h HIS 290 CO -0.02 0.65 0.03 1.96 -0.00 0.00 0.00 177.93 180.54 1n20 h GLN 291 N 1.19 0.89 -0.47 2.45 4.20 -0.55 0.46 115.11 123.28 1n20 h GLN 291 Ca 0.41 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1n20 h GLN 291 Cb 0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1n20 h GLN 291 CO -0.15 0.87 0.04 0.37 -0.67 0.00 0.00 178.83 179.29 1n20 h GLN 292 N 0.83 0.81 -0.59 1.46 5.75 -0.81 0.35 115.11 122.92 1n20 h GLN 292 Ca 0.16 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1n20 h GLN 292 Cb 0.45 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1n20 h GLN 292 CO 0.02 0.84 0.38 0.93 -2.65 0.00 0.00 178.83 178.35 1n20 h GLU 293 N 0.67 0.75 -0.55 1.69 5.08 -0.87 -0.99 114.58 120.37 1n20 h GLU 293 Ca 0.14 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1n20 h GLU 293 Cb 0.45 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1n20 h GLU 293 CO 0.02 0.50 -0.01 1.25 -1.00 0.00 0.00 179.01 179.76 1n20 h LEU 294 N 0.77 0.92 -0.73 1.33 5.85 -0.58 -1.80 115.31 121.07 1n20 h LEU 294 Ca 0.22 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1n20 h LEU 294 Cb -0.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1n20 h LEU 294 CO -0.06 0.99 0.43 0.11 -0.34 0.00 0.00 178.44 179.56 1n20 h LYS 295 N 0.87 1.00 -0.43 1.25 1.57 -0.37 0.78 116.57 121.24 1n20 h LYS 295 Ca 0.16 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1n20 h LYS 295 Cb 0.53 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1n20 h LYS 295 CO 0.03 0.72 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.10 1n20 h ASP 296 N 1.00 0.75 -0.21 0.86 3.32 -0.88 -1.76 116.42 119.50 1n20 h ASP 296 Ca 0.26 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1n20 h ASP 296 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1n20 h ASP 296 CO -0.05 0.87 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.27 1n20 h LEU 297 N 0.70 0.38 -1.10 1.55 3.38 -0.91 -2.99 115.31 116.32 1n20 h LEU 297 Ca 0.12 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1n20 h LEU 297 Cb 0.56 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1n20 h LEU 297 CO 0.03 0.61 0.61 -1.28 0.09 0.00 0.00 178.44 178.51 1n20 h SER 298 N 0.14 0.99 -0.86 -0.43 0.87 -0.64 0.22 113.55 113.84 1n20 h SER 298 Ca 0.06 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1n20 h SER 298 Cb 0.42 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1n20 h SER 298 CO 0.01 0.67 0.54 -0.09 -0.53 0.00 0.00 176.83 177.43 1n20 h ARG 299 N 1.14 1.16 -0.09 2.24 2.43 -1.26 0.12 114.38 120.13 1n20 h ARG 299 Ca 0.38 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1n20 h ARG 299 Cb 0.06 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1n20 h ARG 299 CO -0.12 0.80 -0.10 2.35 -1.51 0.00 0.00 179.97 181.38 1n20 h TRP 300 N 1.18 0.27 -0.39 2.20 7.01 -1.08 -3.01 115.95 122.14 1n20 h TRP 300 Ca 0.31 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1n20 h TRP 300 Cb -0.08 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 1n20 h TRP 300 CO -0.00 0.67 0.18 2.35 -2.79 0.00 0.00 178.44 178.85 1n20 h TRP 301 N -0.21 0.34 -0.36 2.65 -0.00 -0.32 -2.11 115.95 115.94 1n20 h TRP 301 Ca 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1n20 h TRP 301 Cb 0.63 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.68 1n20 h TRP 301 CO 0.09 0.17 0.24 0.77 -0.00 0.00 0.00 178.44 179.71 1n20 h SER 302 N 0.37 0.39 0.70 2.65 0.02 -0.82 -1.93 113.55 114.93 1n20 h SER 302 Ca 0.17 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1n20 h SER 302 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1n20 h SER 302 CO -0.13 0.28 -0.54 -0.09 -1.14 0.00 0.00 176.83 175.21 1n20 h ARG 303 N 0.46 0.00 -0.04 3.45 2.43 -1.24 -3.08 114.38 116.35 1n20 h ARG 303 Ca 0.13 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1n20 h ARG 303 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1n20 h ARG 303 CO -0.03 0.54 -0.73 1.25 -1.51 0.00 0.00 179.97 179.49 1n20 h LEU 304 N 0.00 0.30 1.88 3.80 5.85 -1.04 -3.47 115.31 122.63 1n20 h LEU 304 Ca -0.01 -0.21 -0.42 0.00 0.84 0.00 0.00 57.88 58.08 1n20 h LEU 304 Cb 1.04 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 1n20 h LEU 304 CO 0.07 0.93 -0.45 0.00 -0.34 0.00 0.00 178.44 178.65 1n20 h PHE 306 N 0.00 -0.09 -0.81 0.00 -1.00 -1.90 -0.89 116.94 112.25 1n20 h PHE 306 Ca -0.46 0.03 0.21 0.00 2.81 0.00 0.00 57.97 60.56 1n20 h PHE 306 Cb 1.36 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.98 1n20 h PHE 306 CO 0.57 -0.11 0.56 -1.35 -1.61 0.00 0.00 178.31 176.37 1n20 h PRO 307 N 0.06 0.18 0.01 1.51 0.11 -1.91 0.73 132.00 132.69 1n20 h PRO 307 Ca 0.18 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1n20 h PRO 307 Cb 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1n20 h PRO 307 CO -0.33 0.12 -0.00 1.49 -0.21 0.00 0.00 178.00 179.06 1n20 h GLU 308 N 0.19 -0.01 0.00 1.05 4.81 -1.65 -3.21 114.58 115.76 1n20 h GLU 308 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1n20 h GLU 308 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1n20 h GLU 308 CO -0.08 0.82 -0.21 0.87 -0.73 0.00 0.00 179.01 179.69 1n20 h LYS 309 N -0.91 0.00 -2.12 1.92 1.79 -0.69 -3.37 116.57 113.20 1n20 h LYS 309 Ca -0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1n20 h LYS 309 Cb 0.84 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.08 1n20 h LYS 309 CO 0.00 0.00 -0.80 1.28 -1.08 0.00 0.00 179.45 178.85 1n20 n LEU 310 N -3.01 2.36 -0.23 2.94 4.32 0.25 -4.96 117.00 118.67 1n20 n LEU 310 Ca 0.03 -5.15 0.24 0.00 -0.02 0.00 0.00 56.01 51.11 1n20 n LEU 310 Cb 0.53 -0.15 0.61 0.00 -1.62 0.00 0.00 43.42 42.79 1n20 n LEU 310 CO 0.35 2.07 1.24 -0.65 -1.22 0.00 0.00 177.39 179.19 1n20 h PRO 311 N 4.08 0.22 0.00 3.23 0.11 -1.73 -2.20 132.00 135.71 1n20 h PRO 311 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1n20 h PRO 311 Cb 0.75 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1n20 h PRO 311 CO 0.69 0.14 0.00 1.97 -0.21 0.00 0.00 178.00 180.59 1n20 n PHE 312 N -4.42 0.00 -4.01 0.65 1.16 -1.26 -4.69 117.46 104.89 1n20 n PHE 312 Ca 0.20 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.51 1n20 n PHE 312 Cb 0.86 -0.25 -0.04 0.00 -1.61 0.00 0.00 39.48 38.43 1n20 n PHE 312 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1n20 s VAL 313 N -2.50 4.89 0.21 1.97 0.11 -0.83 -4.77 120.40 119.48 1n20 s VAL 313 Ca 0.23 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 1n20 s VAL 313 Cb 0.15 -3.49 -0.09 0.00 -1.53 0.00 0.00 36.38 31.42 1n20 s VAL 313 CO 0.33 -0.07 1.36 -0.13 -3.33 0.00 0.00 175.10 173.26 1n20 s ARG 314 N -3.06 4.35 -0.59 1.54 0.52 -1.26 -4.04 118.95 116.40 1n20 s ARG 314 Ca 0.33 2.14 -0.08 0.00 -0.52 0.00 0.00 55.73 57.59 1n20 s ARG 314 Cb -0.11 -3.17 0.15 0.00 0.52 0.00 0.00 34.95 32.34 1n20 s ARG 314 CO 0.26 -0.32 0.45 0.34 0.02 0.00 0.00 175.30 176.05 1n20 s ASP 315 N 0.39 5.77 -0.43 0.23 -1.08 -0.81 -4.69 116.67 116.04 1n20 s ASP 315 Ca 0.58 -2.35 0.08 0.00 -0.52 0.00 0.00 52.55 50.35 1n20 s ASP 315 Cb -0.38 -2.00 0.41 0.00 -1.46 0.00 0.00 42.92 39.49 1n20 s ASP 315 CO 0.39 -0.57 1.03 0.54 0.52 0.00 0.00 175.17 177.08 1n20 n ARG 316 N 4.30 2.73 -0.06 4.34 5.12 -1.26 -3.43 116.66 128.40 1n20 n ARG 316 Ca 0.01 -4.20 -0.10 0.00 -1.93 0.00 0.00 57.85 51.62 1n20 n ARG 316 Cb 0.41 -1.98 -0.04 0.00 -1.16 0.00 0.00 32.46 29.69 1n20 n ARG 316 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1n20 h LEU 317 N 2.76 0.27 -0.43 0.55 5.85 -1.95 -0.38 115.31 121.98 1n20 h LEU 317 Ca 0.17 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1n20 h LEU 317 Cb 0.92 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1n20 h LEU 317 CO 0.74 0.29 0.03 0.58 -0.34 0.00 0.00 178.44 179.75 1n20 h VAL 318 N 0.23 1.25 -0.52 1.05 2.07 -1.90 -0.67 116.25 117.75 1n20 h VAL 318 Ca 0.07 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1n20 h VAL 318 Cb 0.09 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1n20 h VAL 318 CO -0.01 0.33 0.14 -0.33 0.02 0.00 0.00 177.57 177.72 1n20 h GLU 319 N 0.59 0.80 -0.45 1.57 3.07 -1.92 0.76 114.58 118.99 1n20 h GLU 319 Ca 0.13 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.72 1n20 h GLU 319 Cb 0.44 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1n20 h GLU 319 CO 0.02 0.71 -0.16 0.77 -1.40 0.00 0.00 179.01 178.95 1n20 h SER 320 N 0.77 0.92 -0.13 1.42 0.02 -0.78 -1.60 113.55 114.18 1n20 h SER 320 Ca 0.17 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1n20 h SER 320 Cb 0.27 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1n20 h SER 320 CO -0.00 1.10 -0.26 0.15 -1.14 0.00 0.00 176.83 176.67 1n20 h PHE 321 N 0.74 0.67 -0.65 3.45 3.57 -0.77 -1.13 116.94 122.81 1n20 h PHE 321 Ca 0.11 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1n20 h PHE 321 Cb 0.72 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1n20 h PHE 321 CO 0.05 0.79 0.43 0.35 -2.23 0.00 0.00 178.31 177.70 1n20 h PHE 322 N 0.52 0.81 -0.68 0.41 3.57 -0.64 0.19 116.94 121.12 1n20 h PHE 322 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1n20 h PHE 322 Cb 0.72 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1n20 h PHE 322 CO 0.03 0.50 0.40 2.35 -2.23 0.00 0.00 178.31 179.36 1n20 h TRP 323 N 0.86 0.90 -0.45 0.41 2.91 -0.73 -1.97 115.95 117.87 1n20 h TRP 323 Ca 0.25 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.19 1n20 h TRP 323 Cb -0.07 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.26 1n20 h TRP 323 CO -0.03 0.61 0.01 0.00 -1.03 0.00 0.00 178.44 178.00 1n20 h ALA 324 N 1.21 1.17 -0.80 2.65 0.00 -0.32 -0.96 119.26 122.19 1n20 h ALA 324 Ca 0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1n20 h ALA 324 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1n20 h ALA 324 CO -0.04 0.54 0.36 0.28 0.00 0.00 0.00 179.25 180.39 1n20 h VAL 325 N 0.69 1.26 -0.10 0.00 2.07 0.00 -1.15 116.25 119.02 1n20 h VAL 325 Ca 0.14 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1n20 h VAL 325 Cb 0.42 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1n20 h VAL 325 CO 0.02 0.32 -0.58 1.23 0.02 0.00 0.00 177.57 178.58 1n20 h GLY 326 N 1.15 0.35 0.73 2.17 0.00 -0.93 -3.30 103.07 103.25 1n20 h GLY 326 Ca 0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1n20 h GLY 326 CO -0.03 0.38 -0.15 1.98 0.00 0.00 0.00 176.54 178.72 1n20 h MET 327 N 0.24 -0.41 -4.29 4.80 4.05 -0.63 -3.40 114.93 115.30 1n20 h MET 327 Ca -0.00 0.03 -0.71 0.00 -0.28 0.00 0.00 59.70 58.74 1n20 h MET 327 Cb 1.08 0.09 -0.33 0.00 -0.80 0.00 0.00 31.60 31.65 1n20 h MET 327 CO 0.09 -0.12 -0.46 -0.06 0.23 0.00 0.00 176.91 176.59 1n20 s PHE 328 N -4.97 3.52 -0.06 1.39 0.40 -0.49 -3.98 117.98 113.80 1n20 s PHE 328 Ca -0.15 -2.30 -0.27 0.00 -0.60 0.00 0.00 56.93 53.61 1n20 s PHE 328 Cb 0.03 -3.31 -0.22 0.00 0.51 0.00 0.00 43.02 40.02 1n20 s PHE 328 CO 0.57 -0.96 1.12 0.93 0.70 0.00 0.00 175.22 177.58 1n20 h GLU 329 N 8.01 0.01 -6.15 0.44 5.08 -1.77 -3.44 114.58 116.75 1n20 h GLU 329 Ca -0.13 -0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.50 1n20 h GLU 329 Cb 1.04 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.35 1n20 h GLU 329 CO 0.75 0.64 0.18 -2.30 -1.00 0.00 0.00 179.01 177.28 1n20 n PRO 330 N -4.78 0.57 -0.29 2.33 -0.02 -1.26 -4.83 135.00 126.72 1n20 n PRO 330 Ca -0.09 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1n20 n PRO 330 Cb 0.32 -1.71 0.22 0.00 -0.02 0.00 0.00 33.50 32.31 1n20 n PRO 330 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n20 h HIS 331 N 3.41 0.76 0.00 6.00 2.76 -2.00 -1.70 115.15 124.37 1n20 h HIS 331 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1n20 h HIS 331 Cb 1.39 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1n20 h HIS 331 CO 0.56 0.19 0.00 0.00 -1.30 0.00 0.00 177.93 177.38 1n20 n GLN 332 N -4.87 0.57 -1.35 5.26 0.00 -1.26 -3.86 117.38 111.88 1n20 n GLN 332 Ca 0.17 0.02 -0.32 0.00 0.00 0.00 0.00 57.00 56.87 1n20 n GLN 332 Cb 0.42 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 29.22 1n20 n GLN 332 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1n20 n HIS 333 N -1.07 2.78 -0.10 2.61 8.25 -0.64 -4.60 115.22 122.46 1n20 n HIS 333 Ca 0.14 -2.66 -0.04 0.00 -0.26 0.00 0.00 57.72 54.90 1n20 n HIS 333 Cb 0.09 -1.32 0.17 0.00 1.12 0.00 0.00 29.99 30.05 1n20 n HIS 333 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1n20 h GLY 334 N 2.36 0.82 0.95 -1.41 0.00 -1.80 -1.69 103.07 102.30 1n20 h GLY 334 Ca 0.53 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1n20 h GLY 334 CO 1.37 0.51 0.16 -1.82 0.00 0.00 0.00 176.54 176.77 1n20 h TYR 335 N 0.71 0.70 -0.41 5.60 3.20 -1.94 -1.08 116.97 123.74 1n20 h TYR 335 Ca 0.14 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1n20 h TYR 335 Cb 0.46 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1n20 h TYR 335 CO 0.02 0.61 0.11 1.96 -1.64 0.00 0.00 178.16 179.22 1n20 h GLN 336 N 0.58 0.60 -0.24 1.82 7.50 -1.86 -0.98 115.11 122.52 1n20 h GLN 336 Ca 0.15 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.16 1n20 h GLN 336 Cb 0.22 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 1n20 h GLN 336 CO -0.01 0.54 -0.01 0.00 -1.50 0.00 0.00 178.83 177.85 1n20 h ARG 337 N 0.59 0.43 -0.40 1.46 3.08 -0.75 -0.91 114.38 117.88 1n20 h ARG 337 Ca 0.14 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1n20 h ARG 337 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1n20 h ARG 337 CO -0.01 0.62 -0.05 0.87 -1.07 0.00 0.00 179.97 180.34 1n20 h LYS 338 N 0.20 0.66 -0.09 0.04 1.57 -0.88 -0.79 116.57 117.28 1n20 h LYS 338 Ca 0.07 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1n20 h LYS 338 Cb 0.43 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1n20 h LYS 338 CO 0.01 0.71 -0.02 1.98 -0.57 0.00 0.00 179.45 181.57 1n20 h MET 339 N 0.62 0.17 -0.32 3.15 4.05 -1.05 -1.55 114.93 119.99 1n20 h MET 339 Ca 0.12 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1n20 h MET 339 Cb 0.46 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1n20 h MET 339 CO 0.02 0.49 0.19 0.00 0.23 0.00 0.00 176.91 177.84 1n20 h ALA 340 N 0.68 0.40 -0.91 0.39 0.00 -1.00 -1.03 119.26 117.79 1n20 h ALA 340 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n20 h ALA 340 Cb 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1n20 h ALA 340 CO 0.01 -0.17 0.59 0.00 0.00 0.00 0.00 179.25 179.68 1n20 h ALA 341 N 1.14 1.20 -0.14 0.00 0.00 -1.12 0.79 119.26 121.14 1n20 h ALA 341 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n20 h ALA 341 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1n20 h ALA 341 CO -0.05 0.46 0.03 1.15 0.00 0.00 0.00 179.25 180.84 1n20 h THR 342 N 1.15 1.20 -0.41 0.00 2.02 -0.80 0.71 112.91 116.79 1n20 h THR 342 Ca 0.36 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1n20 h THR 342 Cb -0.00 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1n20 h THR 342 CO -0.12 0.19 -0.09 0.40 0.37 0.00 0.00 175.52 176.27 1n20 h ILE 343 N 0.02 1.25 -0.23 3.11 2.04 -0.89 -1.00 117.51 121.80 1n20 h ILE 343 Ca 0.04 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1n20 h ILE 343 Cb 0.27 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1n20 h ILE 343 CO 0.00 0.38 -0.04 0.40 0.00 0.00 0.00 178.15 178.88 1n20 h ILE 344 N 0.65 1.28 -0.40 -0.67 2.04 -0.66 0.14 117.51 119.88 1n20 h ILE 344 Ca 0.12 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 1n20 h ILE 344 Cb 0.54 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1n20 h ILE 344 CO 0.03 0.31 -0.06 1.62 0.00 0.00 0.00 178.15 180.05 1n20 h VAL 345 N 0.18 1.24 -0.13 1.67 3.04 -0.70 -1.11 116.25 120.43 1n20 h VAL 345 Ca 0.06 -1.03 -0.21 0.00 -1.01 0.00 0.00 66.70 64.51 1n20 h VAL 345 Cb 0.49 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1n20 h VAL 345 CO 0.02 0.35 -0.76 -0.07 -1.01 0.00 0.00 177.57 176.11 1n20 h LEU 346 N 0.63 0.76 -1.27 3.16 3.38 -1.08 -3.00 115.31 117.89 1n20 h LEU 346 Ca 0.12 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1n20 h LEU 346 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1n20 h LEU 346 CO 0.03 1.28 -0.07 0.00 0.09 0.00 0.00 178.44 179.76 1n20 h ALA 347 N 0.71 1.40 -0.61 1.53 0.00 -0.42 -0.67 119.26 121.20 1n20 h ALA 347 Ca -0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1n20 h ALA 347 Cb 1.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1n20 h ALA 347 CO 0.15 0.42 0.15 1.15 0.00 0.00 0.00 179.25 181.11 1n20 h THR 348 N 0.39 1.25 -0.16 0.00 2.02 -1.14 0.14 112.91 115.41 1n20 h THR 348 Ca 0.08 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1n20 h THR 348 Cb 0.38 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1n20 h THR 348 CO 0.02 0.34 -0.03 0.58 0.37 0.00 0.00 175.52 176.80 1n20 h VAL 349 N 0.89 1.28 -0.41 3.16 2.07 -1.30 -2.46 116.25 119.48 1n20 h VAL 349 Ca 0.19 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1n20 h VAL 349 Cb 0.35 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1n20 h VAL 349 CO 0.00 0.29 0.23 0.40 0.02 0.00 0.00 177.57 178.51 1n20 h ILE 350 N 0.02 1.01 -0.18 4.57 2.04 -0.96 -1.83 117.51 122.17 1n20 h ILE 350 Ca 0.04 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1n20 h ILE 350 Cb 0.46 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1n20 h ILE 350 CO 0.01 0.08 -0.17 -0.78 0.00 0.00 0.00 178.15 177.29 1n20 h ASP 351 N 0.46 -0.55 -0.76 1.72 3.58 -0.67 -1.35 116.42 118.84 1n20 h ASP 351 Ca 0.17 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.80 1n20 h ASP 351 Cb 0.04 0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1n20 h ASP 351 CO -0.09 -0.22 0.50 0.44 -2.88 0.00 0.00 179.24 176.99 1n20 h ASP 352 N -0.19 0.69 -0.71 2.28 3.32 -1.06 0.22 116.42 120.97 1n20 h ASP 352 Ca 0.11 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1n20 h ASP 352 Cb 0.36 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1n20 h ASP 352 CO -0.30 0.44 0.30 0.40 -1.72 0.00 0.00 179.24 178.36 1n20 h ILE 353 N 0.78 1.24 -0.01 0.35 2.04 -0.44 -0.35 117.51 121.12 1n20 h ILE 353 Ca 0.33 -0.73 -0.15 0.00 1.00 0.00 0.00 64.86 65.32 1n20 h ILE 353 Cb 0.30 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1n20 h ILE 353 CO -0.12 0.30 -0.58 1.88 0.00 0.00 0.00 178.15 179.63 1n20 h TYR 354 N 1.00 0.59 -0.60 1.37 -1.99 -0.15 0.89 116.97 118.08 1n20 h TYR 354 Ca 0.24 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1n20 h TYR 354 Cb 0.18 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1n20 h TYR 354 CO 0.01 1.13 0.00 -0.40 -0.00 0.00 0.00 178.16 178.91 1n20 n ASP 355 N -4.24 3.64 0.05 3.88 5.68 0.60 -4.69 116.55 121.48 1n20 n ASP 355 Ca -0.10 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1n20 n ASP 355 Cb 0.66 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1n20 n ASP 355 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1n20 n VAL 356 N 1.35 0.25 -0.12 2.12 0.31 -0.20 -4.74 118.33 117.30 1n20 n VAL 356 Ca 0.21 0.08 -0.18 0.00 -0.01 0.00 0.00 64.34 64.44 1n20 n VAL 356 Cb 0.57 -0.94 -0.11 0.00 -0.91 0.00 0.00 33.84 32.45 1n20 n VAL 356 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n20 n TYR 357 N -3.09 0.00 -2.29 3.52 9.36 -0.84 -5.04 117.16 118.79 1n20 n TYR 357 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 1n20 n TYR 357 Cb 0.11 -0.95 -0.01 0.00 -0.63 0.00 0.00 39.34 37.85 1n20 n TYR 357 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1n20 s GLY 358 N -6.35 2.25 0.49 2.98 0.00 0.30 -5.06 107.32 101.93 1n20 s GLY 358 Ca -0.34 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.76 1n20 s GLY 358 CO 0.57 0.74 0.79 -0.51 0.00 0.00 0.00 173.10 174.68 1n20 s THR 359 N -2.32 4.79 0.25 0.90 -4.23 -1.26 -4.88 115.64 108.89 1n20 s THR 359 Ca 0.64 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 1n20 s THR 359 Cb -0.15 -3.82 0.24 0.00 1.34 0.00 0.00 72.50 70.10 1n20 s THR 359 CO 0.30 -0.80 1.86 0.25 -0.54 0.00 0.00 174.62 175.69 1n20 h LEU 360 N 0.20 0.92 -0.24 4.79 5.85 -1.97 0.81 115.31 125.67 1n20 h LEU 360 Ca -0.47 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1n20 h LEU 360 Cb 1.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1n20 h LEU 360 CO 0.61 0.58 0.11 0.44 -0.34 0.00 0.00 178.44 179.85 1n20 h ASP 361 N 1.05 0.31 -0.54 1.25 3.32 -2.00 -0.64 116.42 119.17 1n20 h ASP 361 Ca 0.40 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1n20 h ASP 361 Cb 0.17 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1n20 h ASP 361 CO -0.17 0.35 0.22 -0.33 -1.72 0.00 0.00 179.24 177.59 1n20 h GLU 362 N 0.25 0.81 0.00 3.56 5.08 -1.81 -2.32 114.58 120.15 1n20 h GLU 362 Ca 0.08 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1n20 h GLU 362 Cb 0.13 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1n20 h GLU 362 CO -0.01 0.71 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.52 1n20 h LEU 363 N 0.74 0.00 -0.03 1.33 3.38 -0.65 0.57 115.31 120.65 1n20 h LEU 363 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1n20 h LEU 363 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1n20 h LEU 363 CO -0.01 0.12 -0.02 -0.08 0.09 0.00 0.00 178.44 178.54 1n20 h GLU 364 N 0.00 0.06 -0.76 1.13 4.81 -0.58 -0.93 114.58 118.30 1n20 h GLU 364 Ca -0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1n20 h GLU 364 Cb 0.23 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1n20 h GLU 364 CO 0.02 0.49 0.25 -0.07 -0.73 0.00 0.00 179.01 178.97 1n20 h LEU 365 N -0.38 1.10 -0.17 1.64 3.38 -1.08 -1.28 115.31 118.52 1n20 h LEU 365 Ca 0.01 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1n20 h LEU 365 Cb 0.48 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1n20 h LEU 365 CO 0.01 1.01 0.09 0.15 0.09 0.00 0.00 178.44 179.79 1n20 h PHE 366 N 1.13 0.18 -0.34 1.13 3.57 -0.86 0.22 116.94 121.96 1n20 h PHE 366 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1n20 h PHE 366 Cb 0.29 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1n20 h PHE 366 CO 0.02 0.11 0.23 1.15 -2.23 0.00 0.00 178.31 177.59 1n20 h THR 367 N 0.20 1.09 -0.78 4.41 2.02 -0.91 -2.49 112.91 116.45 1n20 h THR 367 Ca 0.07 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1n20 h THR 367 Cb -0.00 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1n20 h THR 367 CO -0.03 0.09 0.48 -0.78 0.37 0.00 0.00 175.52 175.65 1n20 h ASP 368 N 0.47 0.92 -0.74 4.18 1.82 -0.89 -2.25 116.42 119.93 1n20 h ASP 368 Ca 0.13 -0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1n20 h ASP 368 Cb -0.05 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.69 1n20 h ASP 368 CO -0.03 0.70 0.23 0.74 -1.61 0.00 0.00 179.24 179.27 1n20 h THR 369 N 1.07 1.26 -0.41 2.25 2.02 -0.53 -1.30 112.91 117.26 1n20 h THR 369 Ca 0.28 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1n20 h THR 369 Cb -0.07 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1n20 h THR 369 CO -0.06 0.36 0.08 -0.26 0.37 0.00 0.00 175.52 176.02 1n20 h PHE 370 N 1.11 0.71 -0.92 3.16 -1.00 -1.05 0.17 116.94 119.12 1n20 h PHE 370 Ca 0.24 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1n20 h PHE 370 Cb 0.31 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 1n20 h PHE 370 CO 0.03 0.69 0.55 0.87 -1.61 0.00 0.00 178.31 178.84 1n20 h LYS 371 N 0.53 1.25 -0.02 1.51 1.57 -1.14 -2.35 116.57 117.92 1n20 h LYS 371 Ca 0.13 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1n20 h LYS 371 Cb 0.35 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1n20 h LYS 371 CO 0.01 0.88 -0.74 0.00 -0.57 0.00 0.00 179.45 179.02 1n20 h ARG 372 N 1.27 0.15 -6.39 3.15 3.08 -1.07 -3.47 114.38 111.10 1n20 h ARG 372 Ca 0.33 -0.14 -0.50 0.00 0.07 0.00 0.00 59.98 59.75 1n20 h ARG 372 Cb -0.05 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 1n20 h ARG 372 CO -0.06 0.82 -0.77 1.87 -1.07 0.00 0.00 179.97 180.76 1n20 n TRP 373 N -3.74 -2.10 -2.55 3.04 -0.00 0.59 -4.94 117.44 107.74 1n20 n TRP 373 Ca -0.02 0.85 0.00 0.00 -0.00 0.00 0.00 57.50 58.32 1n20 n TRP 373 Cb 0.71 -3.60 0.00 0.00 -0.00 0.00 0.00 31.31 28.43 1n20 n TRP 373 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1n20 n ASP 374 N -2.74 0.18 0.00 5.87 5.75 -1.25 -5.06 116.55 119.29 1n20 n ASP 374 Ca 0.05 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1n20 n ASP 374 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1n20 n ASP 374 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1n20 n THR 375 N -0.41 0.00 -0.10 2.12 -2.24 -1.26 -4.82 114.28 107.56 1n20 n THR 375 Ca 0.00 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1n20 n THR 375 Cb 0.00 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.33 1n20 n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n20 n GLU 376 N -0.22 0.76 0.03 -0.78 1.02 -1.26 -4.37 120.64 115.82 1n20 n GLU 376 Ca 0.00 0.08 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1n20 n GLU 376 Cb 0.05 -1.44 0.29 0.00 -0.02 0.00 0.00 31.44 30.32 1n20 n GLU 376 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1n20 n SER 377 N -2.98 0.15 -0.19 1.62 3.41 -1.26 -3.13 113.62 111.25 1n20 n SER 377 Ca -0.35 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 58.79 1n20 n SER 377 Cb 0.96 -0.58 0.21 0.00 -0.26 0.00 0.00 64.21 64.54 1n20 n SER 377 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1n20 h ILE 378 N 0.00 1.21 0.00 -1.33 2.10 -1.89 -2.73 117.51 114.87 1n20 h ILE 378 Ca 0.00 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.38 1n20 h ILE 378 Cb 0.19 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1n20 h ILE 378 CO 0.00 0.24 0.00 0.35 -1.08 0.00 0.00 178.15 177.66 1n20 n THR 379 N -4.35 0.57 1.09 2.19 -2.24 -1.18 -1.86 114.28 108.50 1n20 n THR 379 Ca 0.06 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 1n20 n THR 379 Cb 0.12 -0.88 0.36 0.00 -2.10 0.00 0.00 70.33 67.83 1n20 n THR 379 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n20 n ARG 380 N -1.30 0.24 -3.56 -0.78 1.74 -1.03 -4.91 116.66 107.06 1n20 n ARG 380 Ca 0.07 -0.12 -0.28 0.00 -0.77 0.00 0.00 57.85 56.75 1n20 n ARG 380 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1n20 n ARG 380 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1n20 s LEU 381 N -2.85 4.16 0.64 0.55 1.43 -0.77 -5.07 118.68 116.78 1n20 s LEU 381 Ca 0.16 0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 53.60 1n20 s LEU 381 Cb 0.18 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1n20 s LEU 381 CO 0.62 -0.11 1.21 -2.16 0.23 0.00 0.00 176.35 176.14 1n20 s PRO 382 N -3.44 2.68 0.25 1.29 0.04 -1.26 -4.71 135.00 129.85 1n20 s PRO 382 Ca 0.40 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1n20 s PRO 382 Cb -0.11 -1.90 0.45 0.00 0.04 0.00 0.00 34.50 32.99 1n20 s PRO 382 CO 0.29 -1.43 1.62 -0.92 0.04 0.00 0.00 177.00 176.60 1n20 h TYR 383 N 0.43 -0.15 -0.20 0.56 3.20 -1.97 0.09 116.97 118.94 1n20 h TYR 383 Ca -0.49 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1n20 h TYR 383 Cb 1.30 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1n20 h TYR 383 CO 0.47 -0.29 0.13 0.10 -1.64 0.00 0.00 178.16 176.93 1n20 h TYR 384 N 0.06 0.22 0.01 -3.82 -0.00 -1.93 -1.45 116.97 110.07 1n20 h TYR 384 Ca 0.43 0.01 -0.21 0.00 0.00 0.00 0.00 58.73 58.95 1n20 h TYR 384 Cb 0.76 -0.08 -0.03 0.00 0.00 0.00 0.00 36.73 37.38 1n20 h TYR 384 CO -0.49 0.14 -1.02 0.52 -0.00 0.00 0.00 178.16 177.31 1n20 h MET 385 N 0.24 0.02 -0.34 0.10 2.86 -1.36 -2.42 114.93 114.03 1n20 h MET 385 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1n20 h MET 385 Cb 0.01 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1n20 h MET 385 CO -0.02 1.01 0.19 1.96 1.06 0.00 0.00 176.91 181.12 1n20 h GLN 386 N 0.00 0.47 0.04 1.72 4.20 -0.37 0.51 115.11 121.68 1n20 h GLN 386 Ca -0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1n20 h GLN 386 Cb 1.78 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.47 1n20 h GLN 386 CO 0.13 0.38 -0.02 1.25 -0.67 0.00 0.00 178.83 179.91 1n20 h LEU 387 N 0.43 -0.04 -0.49 1.46 5.85 -1.34 -0.57 115.31 120.61 1n20 h LEU 387 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1n20 h LEU 387 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1n20 h LEU 387 CO -0.02 0.06 0.26 0.00 -0.34 0.00 0.00 178.44 178.41 1n20 h TYR 389 N 0.64 0.33 -0.34 0.00 3.20 -0.83 -2.01 116.97 117.96 1n20 h TYR 389 Ca 0.17 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1n20 h TYR 389 Cb 0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1n20 h TYR 389 CO -0.02 0.42 -0.14 2.35 -1.64 0.00 0.00 178.16 179.13 1n20 h TRP 390 N 0.14 0.66 -0.66 -3.82 -0.00 -0.99 0.09 115.95 111.37 1n20 h TRP 390 Ca 0.06 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.89 58.76 1n20 h TRP 390 Cb 0.25 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 1n20 h TRP 390 CO 0.01 0.71 0.12 0.78 -0.00 0.00 0.00 178.44 180.06 1n20 h GLY 391 N 0.97 1.17 0.78 2.65 0.00 -1.03 -0.87 103.07 106.73 1n20 h GLY 391 Ca 0.09 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1n20 h GLY 391 CO 0.04 0.71 -0.07 -2.08 0.00 0.00 0.00 176.54 175.13 1n20 h VAL 392 N 1.00 1.31 -0.85 4.60 2.07 -1.06 -2.12 116.25 121.19 1n20 h VAL 392 Ca 0.20 -1.11 0.12 0.00 0.82 0.00 0.00 66.70 66.73 1n20 h VAL 392 Cb 0.42 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1n20 h VAL 392 CO 0.01 0.33 0.48 -0.74 0.02 0.00 0.00 177.57 177.66 1n20 h HIS 393 N 0.04 0.85 -0.41 1.57 -0.00 -0.81 -1.01 115.15 115.38 1n20 h HIS 393 Ca 0.04 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.30 1n20 h HIS 393 Cb 0.54 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1n20 h HIS 393 CO 0.06 0.29 -0.31 -0.91 -0.00 0.00 0.00 177.93 177.06 1n20 h ASN 394 N 0.74 0.98 -0.25 3.26 2.35 -1.05 -1.32 115.58 120.29 1n20 h ASN 394 Ca 0.44 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1n20 h ASN 394 Cb 0.50 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1n20 h ASN 394 CO -0.30 1.22 0.12 0.22 -1.65 0.00 0.00 177.43 177.04 1n20 h TYR 395 N 0.76 0.36 -0.85 1.19 3.20 -0.65 0.14 116.97 121.12 1n20 h TYR 395 Ca 0.08 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1n20 h TYR 395 Cb 0.90 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1n20 h TYR 395 CO 0.06 0.34 0.55 0.82 -1.64 0.00 0.00 178.16 178.30 1n20 h ILE 396 N 0.27 1.18 -0.83 1.81 1.08 -1.18 -0.13 117.51 119.71 1n20 h ILE 396 Ca 0.09 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1n20 h ILE 396 Cb 0.12 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 33.81 1n20 h ILE 396 CO -0.01 0.20 0.42 0.28 -0.69 0.00 0.00 178.15 178.35 1n20 h SER 397 N 1.11 1.06 -0.42 1.72 0.02 -0.89 -1.35 113.55 114.81 1n20 h SER 397 Ca 0.32 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1n20 h SER 397 Cb -0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1n20 h SER 397 CO -0.09 0.88 0.16 0.44 -1.14 0.00 0.00 176.83 177.07 1n20 h ASP 398 N 1.16 0.58 -0.53 3.07 3.32 0.11 -1.41 116.42 122.72 1n20 h ASP 398 Ca 0.29 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1n20 h ASP 398 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1n20 h ASP 398 CO -0.04 0.60 0.30 0.00 -1.72 0.00 0.00 179.24 178.38 1n20 h ALA 399 N 1.00 0.67 -0.61 3.45 0.00 -0.79 -0.81 119.26 122.18 1n20 h ALA 399 Ca 0.14 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n20 h ALA 399 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1n20 h ALA 399 CO -0.01 0.18 0.40 0.00 0.00 0.00 0.00 179.25 179.82 1n20 h ALA 400 N 1.14 1.69 -0.03 0.00 0.00 -1.01 -1.42 119.26 119.64 1n20 h ALA 400 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n20 h ALA 400 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1n20 h ALA 400 CO -0.03 0.24 0.00 -0.92 0.00 0.00 0.00 179.25 178.54 1n20 h TYR 401 N 0.70 0.05 -0.71 0.00 3.20 -0.07 -1.43 116.97 118.70 1n20 h TYR 401 Ca 0.25 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1n20 h TYR 401 Cb 0.11 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1n20 h TYR 401 CO -0.00 0.33 0.38 -0.44 -1.64 0.00 0.00 178.16 176.79 1n20 h ASP 402 N -0.25 0.55 -0.23 -2.11 3.32 -0.63 0.61 116.42 117.67 1n20 h ASP 402 Ca 0.01 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1n20 h ASP 402 Cb 0.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1n20 h ASP 402 CO 0.00 0.33 -0.22 0.40 -1.72 0.00 0.00 179.24 178.03 1n20 h ILE 403 N 0.68 1.27 -0.32 0.35 2.04 -1.24 -0.04 117.51 120.26 1n20 h ILE 403 Ca 0.33 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1n20 h ILE 403 Cb 0.27 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1n20 h ILE 403 CO -0.22 0.43 -0.12 0.25 0.00 0.00 0.00 178.15 178.49 1n20 h LEU 404 N 0.61 0.65 -0.38 1.44 5.85 -0.59 0.13 115.31 123.02 1n20 h LEU 404 Ca 0.09 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1n20 h LEU 404 Cb 0.70 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1n20 h LEU 404 CO 0.05 0.89 0.13 0.50 -0.34 0.00 0.00 178.44 179.67 1n20 h LYS 405 N 0.40 0.58 0.18 1.25 3.11 -0.74 0.19 116.57 121.55 1n20 h LYS 405 Ca 0.07 -0.12 -0.26 0.00 -2.81 0.00 0.00 60.65 57.54 1n20 h LYS 405 Cb 0.63 -0.09 0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1n20 h LYS 405 CO 0.04 0.58 -1.15 0.93 -2.81 0.00 0.00 179.45 177.04 1n20 h GLU 406 N 0.46 0.39 -0.18 1.90 4.39 -0.97 -3.39 114.58 117.18 1n20 h GLU 406 Ca 0.12 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1n20 h GLU 406 Cb 0.23 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1n20 h GLU 406 CO -0.01 1.32 0.00 0.72 -1.16 0.00 0.00 179.01 179.88 1n20 n HIS 407 N -3.94 0.24 -1.42 4.33 8.25 0.46 -5.00 115.22 118.14 1n20 n HIS 407 Ca -0.16 -0.45 -0.15 0.00 -0.26 0.00 0.00 57.72 56.69 1n20 n HIS 407 Cb 0.95 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.96 1n20 n HIS 407 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 408 N 0.10 1.42 3.33 -1.41 0.00 0.05 -4.96 105.19 103.72 1n20 n GLY 408 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1n20 n GLY 408 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n20 s PHE 409 N -2.25 2.50 -0.44 1.61 5.36 -1.25 -4.97 117.98 118.55 1n20 s PHE 409 Ca 0.00 -0.55 -0.14 0.00 -0.96 0.00 0.00 56.93 55.28 1n20 s PHE 409 Cb 0.00 -1.61 0.06 0.00 -0.34 0.00 0.00 43.02 41.13 1n20 s PHE 409 CO 0.00 -0.11 0.33 0.12 -1.46 0.00 0.00 175.22 174.10 1n20 s PHE 410 N -0.31 3.26 -0.70 10.12 5.36 -1.26 -3.04 117.98 131.42 1n20 s PHE 410 Ca 0.01 -1.00 0.15 0.00 -0.96 0.00 0.00 56.93 55.14 1n20 s PHE 410 Cb -0.13 -2.93 0.55 0.00 -0.34 0.00 0.00 43.02 40.17 1n20 s PHE 410 CO 0.02 -0.75 1.46 0.00 -1.46 0.00 0.00 175.22 174.49 1n20 h LEU 412 N 2.73 0.09 -1.66 0.00 5.85 -1.92 0.04 115.31 120.43 1n20 h LEU 412 Ca 0.00 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1n20 h LEU 412 Cb 1.28 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 1n20 h LEU 412 CO 0.18 -0.10 0.35 0.06 -0.34 0.00 0.00 178.44 178.59 1n20 h GLN 413 N 0.27 0.40 0.13 1.25 3.07 -2.00 0.09 115.11 118.32 1n20 h GLN 413 Ca 0.53 -0.02 -0.29 0.00 0.09 0.00 0.00 58.65 58.96 1n20 h GLN 413 Cb 1.03 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.51 1n20 h GLN 413 CO -0.60 0.26 -1.38 1.88 0.09 0.00 0.00 178.83 179.09 1n20 h TYR 414 N 0.41 0.52 -0.78 0.06 -1.99 -1.38 -2.91 116.97 110.90 1n20 h TYR 414 Ca 0.23 -0.38 -0.04 0.00 2.00 0.00 0.00 58.73 60.54 1n20 h TYR 414 Cb 0.38 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 1n20 h TYR 414 CO -0.00 1.34 0.31 -0.07 -0.00 0.00 0.00 178.16 179.74 1n20 h LEU 415 N 0.08 1.06 -0.91 3.88 3.38 -0.80 -1.47 115.31 120.53 1n20 h LEU 415 Ca -0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1n20 h LEU 415 Cb 2.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 1n20 h LEU 415 CO 0.19 0.94 0.37 0.03 0.09 0.00 0.00 178.44 180.06 1n20 h ARG 416 N 1.13 1.15 -0.70 1.13 3.08 -1.05 -2.46 114.38 116.65 1n20 h ARG 416 Ca 0.26 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1n20 h ARG 416 Cb 0.21 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1n20 h ARG 416 CO -0.02 0.89 0.18 -0.22 -1.07 0.00 0.00 179.97 179.74 1n20 h LYS 417 N 1.14 1.12 -0.61 0.04 3.64 -1.18 0.30 116.57 121.02 1n20 h LYS 417 Ca 0.27 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1n20 h LYS 417 Cb 0.13 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1n20 h LYS 417 CO -0.03 0.98 0.30 0.77 -2.27 0.00 0.00 179.45 179.20 1n20 h SER 418 N 1.06 0.40 -0.06 4.20 0.02 -0.87 0.51 113.55 118.81 1n20 h SER 418 Ca 0.22 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1n20 h SER 418 Cb 0.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1n20 h SER 418 CO 0.00 0.26 -0.20 0.58 -1.14 0.00 0.00 176.83 176.33 1n20 h VAL 419 N 0.55 1.44 -0.48 2.27 2.07 -1.01 -3.11 116.25 117.97 1n20 h VAL 419 Ca 0.28 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.21 1n20 h VAL 419 Cb 0.24 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1n20 h VAL 419 CO -0.21 0.45 0.29 0.58 0.02 0.00 0.00 177.57 178.70 1n20 h VAL 420 N -0.29 1.06 -0.82 2.57 2.07 -0.16 -1.75 116.25 118.94 1n20 h VAL 420 Ca -0.01 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1n20 h VAL 420 Cb 0.83 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1n20 h VAL 420 CO 0.04 0.11 0.54 0.44 0.02 0.00 0.00 177.57 178.72 1n20 h ASP 421 N 0.59 0.83 0.09 0.57 3.32 -0.99 -0.10 116.42 120.73 1n20 h ASP 421 Ca 0.19 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1n20 h ASP 421 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1n20 h ASP 421 CO -0.08 0.55 -0.05 0.25 -1.72 0.00 0.00 179.24 178.19 1n20 h LEU 422 N 0.95 -0.11 -1.23 1.55 5.85 -1.31 -2.29 115.31 118.73 1n20 h LEU 422 Ca 0.34 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1n20 h LEU 422 Cb 0.15 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1n20 h LEU 422 CO -0.11 0.24 -0.24 -0.37 -0.34 0.00 0.00 178.44 177.61 1n20 h VAL 423 N -0.46 1.23 -0.13 1.05 -1.51 -1.02 -1.29 116.25 114.13 1n20 h VAL 423 Ca -0.01 -1.08 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 1n20 h VAL 423 Cb 0.39 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1n20 h VAL 423 CO 0.02 0.33 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.04 1n20 h GLU 424 N 0.20 0.25 -0.16 5.19 5.08 -0.99 0.72 114.58 124.88 1n20 h GLU 424 Ca 0.03 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1n20 h GLU 424 Cb 0.55 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1n20 h GLU 424 CO 0.04 0.54 -0.66 0.00 -1.00 0.00 0.00 179.01 177.94 1n20 h ALA 425 N 1.46 0.55 -0.45 3.43 0.00 -0.76 -1.60 119.26 121.89 1n20 h ALA 425 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1n20 h ALA 425 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n20 h ALA 425 CO 0.05 0.71 0.16 1.88 0.00 0.00 0.00 179.25 182.05 1n20 h TYR 426 N 0.43 0.71 -0.82 0.00 0.99 -0.77 -1.17 116.97 116.33 1n20 h TYR 426 Ca -0.02 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 1n20 h TYR 426 Cb 1.24 -0.21 -0.04 0.00 1.00 0.00 0.00 36.73 38.72 1n20 h TYR 426 CO 0.06 0.62 0.40 0.35 -0.00 0.00 0.00 178.16 179.59 1n20 h PHE 427 N 0.59 1.18 -0.21 4.88 3.57 -0.77 0.35 116.94 126.53 1n20 h PHE 427 Ca 0.15 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1n20 h PHE 427 Cb 0.23 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1n20 h PHE 427 CO 0.01 0.85 0.13 1.25 -2.23 0.00 0.00 178.31 178.32 1n20 h HIS 428 N 1.17 0.27 -0.57 0.41 2.76 -0.93 0.38 115.15 118.64 1n20 h HIS 428 Ca 0.28 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1n20 h HIS 428 Cb 0.11 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1n20 h HIS 428 CO 0.01 0.19 0.19 0.93 -1.30 0.00 0.00 177.93 177.95 1n20 h GLU 429 N 0.27 0.85 -0.71 5.26 5.08 -0.78 -1.89 114.58 122.66 1n20 h GLU 429 Ca 0.08 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1n20 h GLU 429 Cb -0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1n20 h GLU 429 CO -0.02 0.73 0.23 0.00 -1.00 0.00 0.00 179.01 178.96 1n20 h ALA 430 N 1.38 0.93 -0.69 3.43 0.00 -0.15 0.21 119.26 124.37 1n20 h ALA 430 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1n20 h ALA 430 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1n20 h ALA 430 CO -0.01 0.60 0.32 0.87 0.00 0.00 0.00 179.25 181.03 1n20 h LYS 431 N 1.04 1.00 -0.22 0.00 1.57 -0.48 -0.56 116.57 118.93 1n20 h LYS 431 Ca 0.23 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1n20 h LYS 431 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1n20 h LYS 431 CO -0.01 0.80 0.11 -1.49 -0.57 0.00 0.00 179.45 178.29 1n20 h TRP 432 N 0.96 0.30 0.31 -1.35 6.55 -0.87 -1.89 115.95 119.96 1n20 h TRP 432 Ca 0.24 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.06 1n20 h TRP 432 Cb 0.13 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1n20 h TRP 432 CO 0.01 0.28 -0.18 -0.92 -1.05 0.00 0.00 178.44 176.58 1n20 h TYR 433 N 0.23 -0.46 0.00 0.49 3.20 -0.65 -1.59 116.97 118.20 1n20 h TYR 433 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1n20 h TYR 433 Cb 0.08 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1n20 h TYR 433 CO -0.03 -0.28 -0.12 0.45 -1.64 0.00 0.00 178.16 176.54 1n20 h HIS 434 N -0.46 0.00 0.00 -3.82 3.86 -1.08 -2.35 115.15 111.30 1n20 h HIS 434 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1n20 h HIS 434 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1n20 h HIS 434 CO -0.08 0.12 -0.64 -1.13 0.86 0.00 0.00 177.93 177.06 1n20 n SER 435 N -3.53 0.64 0.00 2.45 3.41 -0.72 -4.94 113.62 110.94 1n20 n SER 435 Ca -0.01 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1n20 n SER 435 Cb 0.26 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1n20 n SER 435 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n20 n GLY 436 N 1.37 0.52 3.77 5.00 0.00 -0.67 -5.02 105.19 110.16 1n20 n GLY 436 Ca 0.04 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1n20 n GLY 436 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n20 s TYR 437 N -2.00 3.42 -0.25 1.61 5.04 -0.79 -5.03 117.35 119.35 1n20 s TYR 437 Ca 0.00 1.68 0.03 0.00 -2.44 0.00 0.00 57.07 56.33 1n20 s TYR 437 Cb 0.00 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.17 1n20 s TYR 437 CO 0.00 -0.58 -0.11 0.99 -1.34 0.00 0.00 175.55 174.51 1n20 s THR 438 N -1.42 2.12 0.87 4.34 2.01 -1.26 -4.63 115.64 117.66 1n20 s THR 438 Ca 0.52 -1.56 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 1n20 s THR 438 Cb -0.27 -2.22 0.11 0.00 0.01 0.00 0.00 72.50 70.14 1n20 s THR 438 CO 0.34 0.01 1.09 -2.84 -0.69 0.00 0.00 174.62 172.53 1n20 s PRO 439 N 1.13 1.48 0.78 4.92 0.02 -1.26 -5.03 135.00 137.04 1n20 s PRO 439 Ca -0.08 1.03 -0.12 0.00 0.02 0.00 0.00 61.00 61.85 1n20 s PRO 439 Cb -0.19 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.57 1n20 s PRO 439 CO -0.06 -2.15 1.12 -1.54 -0.33 0.00 0.00 177.00 174.05 1n20 s SER 440 N -3.28 4.72 0.18 2.53 1.04 -1.26 -4.73 113.70 112.91 1n20 s SER 440 Ca 0.63 1.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.03 1n20 s SER 440 Cb -0.19 -1.79 0.15 0.00 0.10 0.00 0.00 66.02 64.30 1n20 s SER 440 CO 0.57 -1.80 1.79 0.25 0.98 0.00 0.00 173.24 175.04 1n20 h LEU 441 N -0.97 0.42 -0.69 2.42 5.85 -1.94 -1.10 115.31 119.29 1n20 h LEU 441 Ca -0.46 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1n20 h LEU 441 Cb 1.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1n20 h LEU 441 CO 0.63 0.29 -0.32 0.44 -0.34 0.00 0.00 178.44 179.13 1n20 h ASP 442 N 0.55 0.68 -0.18 1.25 5.19 -1.96 -1.14 116.42 120.80 1n20 h ASP 442 Ca 0.23 -0.27 -0.09 0.00 -0.62 0.00 0.00 57.03 56.29 1n20 h ASP 442 Cb 0.13 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1n20 h ASP 442 CO -0.15 0.95 -0.16 -0.08 -3.12 0.00 0.00 179.24 176.67 1n20 h GLU 443 N 0.55 0.58 0.21 3.56 4.81 -1.85 -1.83 114.58 120.61 1n20 h GLU 443 Ca 0.06 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1n20 h GLU 443 Cb 0.82 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1n20 h GLU 443 CO 0.07 0.72 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.05 1n20 h TYR 444 N 0.53 -0.26 0.00 0.92 3.20 -0.89 -3.21 116.97 117.26 1n20 h TYR 444 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1n20 h TYR 444 Cb 0.59 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1n20 h TYR 444 CO 0.02 0.10 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.54 1n20 h LEU 445 N -0.69 0.00 -1.71 2.82 3.38 -1.17 0.59 115.31 118.53 1n20 h LEU 445 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1n20 h LEU 445 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1n20 h LEU 445 CO 0.05 0.04 -0.10 -1.13 0.09 0.00 0.00 178.44 177.39 1n20 h ASN 446 N 0.00 0.06 0.02 -0.43 -1.24 -1.33 -1.49 115.58 111.17 1n20 h ASN 446 Ca -0.00 -0.01 -0.38 0.00 0.71 0.00 0.00 56.30 56.62 1n20 h ASN 446 Cb 0.07 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.05 1n20 h ASN 446 CO 0.01 0.17 -2.21 -0.38 -1.29 0.00 0.00 177.43 173.73 1n20 n ILE 447 N -4.39 1.56 0.30 2.57 2.08 -0.46 -4.44 119.36 116.58 1n20 n ILE 447 Ca -0.02 -0.43 0.17 0.00 0.56 0.00 0.00 62.75 63.03 1n20 n ILE 447 Cb 0.19 -1.74 0.98 0.00 -0.75 0.00 0.00 39.64 38.33 1n20 n ILE 447 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n20 h ALA 448 N -0.40 1.43 0.00 -1.39 0.00 0.17 0.11 119.26 119.18 1n20 h ALA 448 Ca -0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1n20 h ALA 448 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1n20 h ALA 448 CO -0.19 -0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.37 1n20 n LYS 449 N -3.62 0.19 -0.11 0.00 2.85 -0.57 -2.05 118.16 114.85 1n20 n LYS 449 Ca -0.02 0.23 -0.22 0.00 -1.05 0.00 0.00 58.31 57.25 1n20 n LYS 449 Cb 0.12 -1.75 -0.12 0.00 -0.65 0.00 0.00 35.03 32.63 1n20 n LYS 449 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n20 n ILE 450 N -2.09 1.55 0.29 0.58 2.08 0.25 -4.35 119.36 117.68 1n20 n ILE 450 Ca 0.05 -0.49 0.17 0.00 0.56 0.00 0.00 62.75 63.03 1n20 n ILE 450 Cb 0.36 -1.64 0.84 0.00 -0.75 0.00 0.00 39.64 38.45 1n20 n ILE 450 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1n20 h SER 451 N -0.32 0.00 0.56 4.38 4.64 -1.22 -0.81 113.55 120.78 1n20 h SER 451 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1n20 h SER 451 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1n20 h SER 451 CO -0.15 0.06 0.00 0.55 -0.87 0.00 0.00 176.83 176.41 1n20 n VAL 452 N -3.33 0.90 -0.91 0.95 3.14 -0.87 -4.90 118.33 113.31 1n20 n VAL 452 Ca -0.01 0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1n20 n VAL 452 Cb 0.22 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1n20 n VAL 452 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n20 n ALA 453 N -1.51 0.00 -0.16 1.55 0.00 -0.31 -4.93 120.51 115.15 1n20 n ALA 453 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1n20 n ALA 453 Cb 0.19 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.48 1n20 n ALA 453 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1n20 h SER 454 N 0.00 -0.02 -0.45 0.00 0.02 -1.80 -0.26 113.55 111.05 1n20 h SER 454 Ca 0.00 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1n20 h SER 454 Cb 0.03 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1n20 h SER 454 CO 0.00 0.02 0.01 -0.65 -1.14 0.00 0.00 176.83 175.07 1n20 h PRO 455 N 0.23 0.85 0.00 3.45 0.11 -1.82 -0.82 132.00 134.00 1n20 h PRO 455 Ca 0.25 -0.23 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1n20 h PRO 455 Cb 0.34 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1n20 h PRO 455 CO -0.33 0.84 -0.22 0.00 -0.21 0.00 0.00 178.00 178.08 1n20 h ALA 456 N 1.21 1.51 0.14 -0.75 0.00 -1.58 -1.11 119.26 118.69 1n20 h ALA 456 Ca 0.15 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1n20 h ALA 456 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1n20 h ALA 456 CO 0.02 0.27 -1.82 0.82 0.00 0.00 0.00 179.25 178.54 1n20 h ILE 457 N 0.00 0.83 0.02 0.00 2.04 -0.76 -3.39 117.51 116.26 1n20 h ILE 457 Ca -0.00 -2.50 -0.00 0.00 1.00 0.00 0.00 64.86 63.36 1n20 h ILE 457 Cb 0.42 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1n20 h ILE 457 CO 0.03 0.84 -0.01 0.40 0.00 0.00 0.00 178.15 179.41 1n20 h ILE 458 N 0.08 1.45 -0.93 -0.67 2.04 -1.06 -3.36 117.51 115.06 1n20 h ILE 458 Ca -0.36 -1.51 0.11 0.00 1.00 0.00 0.00 64.86 64.10 1n20 h ILE 458 Cb 2.06 2.45 -0.08 0.00 -0.74 0.00 0.00 36.82 40.51 1n20 h ILE 458 CO 0.13 0.38 0.56 0.77 0.00 0.00 0.00 178.15 180.00 1n20 h SER 459 N -0.69 0.82 0.06 1.72 4.64 -1.42 -1.97 113.55 116.72 1n20 h SER 459 Ca -0.00 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1n20 h SER 459 Cb 0.65 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1n20 h SER 459 CO 0.00 0.45 -0.17 -0.65 -0.87 0.00 0.00 176.83 175.59 1n20 h PRO 460 N 0.92 0.23 0.00 4.77 0.11 -1.75 -2.56 132.00 133.71 1n20 h PRO 460 Ca 0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1n20 h PRO 460 Cb 0.43 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1n20 h PRO 460 CO -0.26 0.40 0.00 1.79 -0.21 0.00 0.00 178.00 179.73 1n20 h THR 461 N 0.21 0.00 -0.57 -1.15 1.35 -1.50 -2.95 112.91 108.31 1n20 h THR 461 Ca 0.04 -0.39 0.10 0.00 -0.55 0.00 0.00 66.41 65.62 1n20 h THR 461 Cb 0.44 1.38 -0.08 0.00 -1.73 0.00 0.00 68.15 68.16 1n20 h THR 461 CO 0.03 0.00 0.13 0.22 -0.25 0.00 0.00 175.52 175.65 1n20 h TYR 462 N 0.00 0.20 0.00 4.73 3.20 -1.42 -1.58 116.97 122.10 1n20 h TYR 462 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1n20 h TYR 462 Cb 0.39 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1n20 h TYR 462 CO 0.00 -0.01 0.00 1.19 -1.64 0.00 0.00 178.16 177.70 1n20 n PHE 463 N -5.11 0.00 1.23 -3.82 3.01 -1.11 -2.89 117.46 108.77 1n20 n PHE 463 Ca 0.08 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.67 1n20 n PHE 463 Cb 0.29 -0.35 0.39 0.00 -0.01 0.00 0.00 39.48 39.81 1n20 n PHE 463 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n20 n THR 464 N -1.35 0.00 -3.36 4.37 -2.24 -0.59 -4.85 114.28 106.26 1n20 n THR 464 Ca 0.07 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1n20 n THR 464 Cb 0.16 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1n20 n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n20 s PHE 465 N -2.56 3.45 0.53 4.78 0.40 -1.14 -4.97 117.98 118.47 1n20 s PHE 465 Ca 0.23 0.76 0.25 0.00 -0.60 0.00 0.00 56.93 57.58 1n20 s PHE 465 Cb 0.19 -2.53 1.39 0.00 0.51 0.00 0.00 43.02 42.59 1n20 s PHE 465 CO 0.54 0.10 1.99 0.00 0.70 0.00 0.00 175.22 178.55 1n20 h ALA 466 N 6.96 2.51 -0.44 5.36 0.00 -1.91 -0.79 119.26 130.96 1n20 h ALA 466 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n20 h ALA 466 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n20 h ALA 466 CO 0.75 -0.66 0.00 0.27 0.00 0.00 0.00 179.25 179.60 1n20 n ASN 467 N -4.38 3.40 -4.75 0.00 6.94 -1.26 -4.95 115.26 110.27 1n20 n ASN 467 Ca 0.10 -2.31 -0.40 0.00 -0.02 0.00 0.00 54.58 51.95 1n20 n ASN 467 Cb 0.62 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.51 1n20 n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n20 s ALA 468 N -1.76 3.34 0.32 -2.53 0.00 -0.31 -4.80 121.76 116.03 1n20 s ALA 468 Ca 0.35 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1n20 s ALA 468 Cb 0.22 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1n20 s ALA 468 CO 0.16 0.08 1.07 0.45 0.00 0.00 0.00 175.76 177.53 1n20 s SER 469 N -0.89 7.09 0.00 0.00 0.15 -1.26 -4.94 113.70 113.84 1n20 s SER 469 Ca 0.43 2.17 0.24 0.00 0.70 0.00 0.00 55.95 59.49 1n20 s SER 469 Cb -0.27 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 61.76 1n20 s SER 469 CO 0.34 -0.27 1.32 1.41 1.20 0.00 0.00 173.24 177.24 1n20 n HIS 470 N 0.72 0.00 -2.08 3.44 8.25 -1.26 -4.79 115.22 119.50 1n20 n HIS 470 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1n20 n HIS 470 Cb 0.47 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1n20 n HIS 470 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1n20 s ASP 471 N -2.17 6.73 0.45 0.41 -1.08 -1.26 -4.90 116.67 114.85 1n20 s ASP 471 Ca 0.27 2.38 0.17 0.00 -0.52 0.00 0.00 52.55 54.85 1n20 s ASP 471 Cb 0.20 -2.58 1.12 0.00 -1.46 0.00 0.00 42.92 40.20 1n20 s ASP 471 CO 0.40 -0.75 1.96 0.74 0.52 0.00 0.00 175.17 178.04 1n20 h THR 472 N 4.46 0.82 -0.48 1.71 2.02 -1.99 -1.96 112.91 117.48 1n20 h THR 472 Ca -0.41 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 1n20 h THR 472 Cb 1.20 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1n20 h THR 472 CO 0.90 0.06 -0.19 0.00 0.37 0.00 0.00 175.52 176.65 1n20 h ALA 473 N 1.69 0.68 -0.16 6.16 0.00 -1.99 -1.08 119.26 124.56 1n20 h ALA 473 Ca 0.31 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1n20 h ALA 473 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n20 h ALA 473 CO -0.08 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 1n20 h VAL 474 N 0.84 1.28 -0.87 0.00 2.07 -1.77 -1.68 116.25 116.12 1n20 h VAL 474 Ca 0.11 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1n20 h VAL 474 Cb 0.77 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1n20 h VAL 474 CO 0.06 0.28 0.52 0.40 0.02 0.00 0.00 177.57 178.85 1n20 h ILE 475 N 0.02 1.24 -0.23 4.57 2.04 -1.40 -1.05 117.51 122.70 1n20 h ILE 475 Ca 0.04 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1n20 h ILE 475 Cb 0.44 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1n20 h ILE 475 CO 0.01 0.26 -0.15 0.44 0.00 0.00 0.00 178.15 178.71 1n20 h ASP 476 N 1.20 0.38 -0.34 1.72 3.32 -1.12 -0.99 116.42 120.60 1n20 h ASP 476 Ca 0.31 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1n20 h ASP 476 Cb -0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1n20 h ASP 476 CO -0.06 0.56 0.20 -1.28 -1.72 0.00 0.00 179.24 176.94 1n20 h SER 477 N 0.36 0.41 -0.41 6.45 0.87 -0.26 -0.17 113.55 120.80 1n20 h SER 477 Ca 0.07 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1n20 h SER 477 Cb 0.49 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1n20 h SER 477 CO 0.03 0.35 0.24 0.25 -0.53 0.00 0.00 176.83 177.18 1n20 h LEU 478 N 0.43 0.39 0.00 2.23 5.85 -0.63 -3.07 115.31 120.51 1n20 h LEU 478 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1n20 h LEU 478 Cb 0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1n20 h LEU 478 CO -0.02 0.28 -0.03 -1.22 -0.34 0.00 0.00 178.44 177.11 1n20 n TYR 479 N -4.86 0.01 0.31 1.25 4.02 -0.43 -2.01 117.16 115.44 1n20 n TYR 479 Ca 0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.08 1n20 n TYR 479 Cb 0.06 -0.49 0.74 0.00 -0.02 0.00 0.00 39.34 39.63 1n20 n TYR 479 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1n20 h GLN 480 N 0.00 0.00 -1.79 -0.72 3.07 -1.02 -3.45 115.11 111.21 1n20 h GLN 480 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n20 h GLN 480 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1n20 h GLN 480 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1n20 n TYR 481 N -2.86 0.00 -1.37 0.06 0.53 -0.91 -5.05 117.16 107.56 1n20 n TYR 481 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.52 1n20 n TYR 481 Cb 0.23 -0.89 0.08 0.00 -1.03 0.00 0.00 39.34 37.73 1n20 n TYR 481 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1n20 n HIS 482 N 0.04 0.48 -0.34 -0.72 -0.00 -0.85 -4.66 115.22 109.17 1n20 n HIS 482 Ca 0.00 0.39 0.19 0.00 -0.00 0.00 0.00 57.72 58.30 1n20 n HIS 482 Cb 0.00 -2.06 0.40 0.00 -0.00 0.00 0.00 29.99 28.33 1n20 n HIS 482 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1n20 h ASP 483 N -0.21 0.57 -0.86 0.26 3.45 -1.93 -0.83 116.42 116.87 1n20 h ASP 483 Ca -0.47 0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.18 1n20 h ASP 483 Cb 1.34 0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 40.14 1n20 h ASP 483 CO 0.47 0.01 0.56 0.40 -1.57 0.00 0.00 179.24 179.11 1n20 h ILE 484 N 0.47 1.14 -0.10 0.35 2.04 -1.94 0.22 117.51 119.69 1n20 h ILE 484 Ca 0.66 -0.37 -0.20 0.00 1.00 0.00 0.00 64.86 65.95 1n20 h ILE 484 Cb 1.34 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1n20 h ILE 484 CO -0.53 0.20 -0.74 -0.07 0.00 0.00 0.00 178.15 177.01 1n20 h LEU 485 N 1.09 0.64 -0.38 1.44 3.38 -1.51 -1.71 115.31 118.26 1n20 h LEU 485 Ca 0.34 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1n20 h LEU 485 Cb -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1n20 h LEU 485 CO -0.11 1.18 0.07 0.00 0.09 0.00 0.00 178.44 179.66 1n20 h LEU 487 N 0.47 0.67 -1.84 0.00 3.38 -0.54 -0.70 115.31 116.74 1n20 h LEU 487 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1n20 h LEU 487 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1n20 h LEU 487 CO 0.01 0.78 -0.14 0.00 0.09 0.00 0.00 178.44 179.17 1n20 h ALA 488 N 1.30 1.43 -0.07 1.53 0.00 -1.06 0.19 119.26 122.57 1n20 h ALA 488 Ca 0.12 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1n20 h ALA 488 Cb 0.48 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1n20 h ALA 488 CO 0.02 0.18 -0.66 0.78 0.00 0.00 0.00 179.25 179.57 1n20 h GLY 489 N 0.70 0.64 0.78 0.00 0.00 -0.36 -2.81 103.07 102.02 1n20 h GLY 489 Ca -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 1n20 h GLY 489 CO 0.02 0.87 -0.02 -2.22 0.00 0.00 0.00 176.54 175.19 1n20 h ILE 490 N 0.19 1.10 -0.08 2.60 1.08 -0.09 0.19 117.51 122.51 1n20 h ILE 490 Ca -0.06 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1n20 h ILE 490 Cb 1.32 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1n20 h ILE 490 CO 0.13 0.13 0.05 0.40 -0.69 0.00 0.00 178.15 178.17 1n20 h ILE 491 N -0.28 0.99 0.19 -0.67 2.04 -0.77 -1.50 117.51 117.51 1n20 h ILE 491 Ca -0.01 -0.02 -0.34 0.00 1.00 0.00 0.00 64.86 65.49 1n20 h ILE 491 Cb 0.26 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1n20 h ILE 491 CO 0.01 0.01 -1.67 0.25 0.00 0.00 0.00 178.15 176.76 1n20 h LEU 492 N 0.05 0.62 -0.21 1.44 5.85 -1.38 -3.37 115.31 118.31 1n20 h LEU 492 Ca 0.03 -0.86 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 1n20 h LEU 492 Cb 0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1n20 h LEU 492 CO -0.00 1.71 0.11 -0.09 -0.34 0.00 0.00 178.44 179.83 1n20 h ARG 493 N 0.11 0.30 0.33 1.25 9.65 -0.36 -2.37 114.38 123.28 1n20 h ARG 493 Ca -0.31 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1n20 h ARG 493 Cb 2.10 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.61 1n20 h ARG 493 CO 0.19 0.30 -0.28 -0.07 2.80 0.00 0.00 179.97 182.91 1n20 h LEU 494 N 0.22 -0.75 -0.98 3.80 3.38 -1.48 0.46 115.31 119.95 1n20 h LEU 494 Ca 0.07 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1n20 h LEU 494 Cb 0.09 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1n20 h LEU 494 CO -0.01 -0.42 0.65 -0.65 0.09 0.00 0.00 178.44 178.10 1n20 h PRO 495 N -0.63 1.30 -0.40 1.13 0.11 -1.73 -1.59 132.00 130.20 1n20 h PRO 495 Ca -0.02 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.02 1n20 h PRO 495 Cb 0.56 -0.29 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1n20 h PRO 495 CO -0.03 0.86 0.24 0.22 -0.21 0.00 0.00 178.00 179.08 1n20 h ASP 496 N 1.33 0.40 -0.67 -2.05 1.82 -1.13 0.16 116.42 116.29 1n20 h ASP 496 Ca 0.36 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.94 1n20 h ASP 496 Cb -0.15 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 1n20 h ASP 496 CO -0.08 0.29 0.20 0.44 -1.61 0.00 0.00 179.24 178.47 1n20 h ASP 497 N 0.49 1.00 -0.71 2.28 5.19 -0.57 -0.36 116.42 123.73 1n20 h ASP 497 Ca 0.16 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1n20 h ASP 497 Cb -0.00 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.21 1n20 h ASP 497 CO -0.07 0.94 0.33 -0.07 -3.12 0.00 0.00 179.24 177.25 1n20 h LEU 498 N 1.02 0.95 -0.08 1.55 4.07 -0.60 -1.30 115.31 120.92 1n20 h LEU 498 Ca 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1n20 h LEU 498 Cb 0.31 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1n20 h LEU 498 CO -0.00 0.82 -0.75 0.61 -1.08 0.00 0.00 178.44 178.04 1n20 n GLY 499 N -1.03 -1.01 0.00 0.83 0.00 -0.02 -4.52 105.19 99.44 1n20 n GLY 499 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1n20 n GLY 499 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n20 n THR 500 N -1.37 0.00 -0.33 2.61 -2.24 -0.18 -2.92 114.28 109.85 1n20 n THR 500 Ca 0.05 -0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1n20 n THR 500 Cb 0.34 0.95 0.19 0.00 -2.10 0.00 0.00 70.33 69.71 1n20 n THR 500 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n20 h SER 501 N 0.00 0.84 -0.38 3.42 4.64 -1.39 -2.22 113.55 118.47 1n20 h SER 501 Ca 0.00 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1n20 h SER 501 Cb 0.00 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 61.87 1n20 h SER 501 CO 0.00 0.49 -0.27 0.22 -0.87 0.00 0.00 176.83 176.41 1n20 h TYR 502 N 0.95 -0.71 0.00 4.77 3.20 -1.87 0.68 116.97 123.99 1n20 h TYR 502 Ca 0.43 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 62.20 1n20 h TYR 502 Cb 0.33 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1n20 h TYR 502 CO -0.03 -0.34 -0.71 0.74 -1.64 0.00 0.00 178.16 176.19 1n20 h PHE 503 N -0.21 0.00 -0.09 -3.82 -1.00 -1.85 -2.55 116.94 107.43 1n20 h PHE 503 Ca 0.18 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.76 1n20 h PHE 503 Cb 0.49 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.07 1n20 h PHE 503 CO -0.48 0.71 -0.71 0.93 -1.61 0.00 0.00 178.31 177.15 1n20 h GLU 504 N 0.00 0.63 -0.16 1.51 5.08 -0.78 -2.96 114.58 117.90 1n20 h GLU 504 Ca -0.01 -0.56 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 1n20 h GLU 504 Cb 1.27 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1n20 h GLU 504 CO 0.09 1.18 -0.13 1.25 -1.00 0.00 0.00 179.01 180.40 1n20 h LEU 505 N 0.27 0.24 0.00 1.33 5.85 0.32 0.70 115.31 124.03 1n20 h LEU 505 Ca -0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1n20 h LEU 505 Cb 1.36 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1n20 h LEU 505 CO 0.14 0.41 -0.14 0.00 -0.34 0.00 0.00 178.44 178.51 1n20 n ALA 506 N -2.49 2.52 -0.01 1.25 0.00 -0.96 -4.06 120.51 116.77 1n20 n ALA 506 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.32 1n20 n ALA 506 Cb 0.28 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1n20 n ALA 506 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1n20 n ARG 507 N -1.89 1.38 0.00 0.00 1.85 -1.05 -5.09 116.66 111.86 1n20 n ARG 507 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1n20 n ARG 507 Cb 0.39 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 1n20 n ARG 507 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n20 n GLY 508 N 2.43 2.31 3.82 2.89 0.00 0.21 -5.10 105.19 111.74 1n20 n GLY 508 Ca -0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 1n20 n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n20 s ASP 509 N 0.00 -0.18 0.37 1.61 2.15 -1.21 -4.82 116.67 114.60 1n20 s ASP 509 Ca 0.00 -0.62 -0.28 0.00 0.43 0.00 0.00 52.55 52.08 1n20 s ASP 509 Cb 0.00 0.65 -0.11 0.00 -0.30 0.00 0.00 42.92 43.16 1n20 s ASP 509 CO 0.00 -1.22 1.50 0.52 -0.17 0.00 0.00 175.17 175.79 1n20 n VAL 510 N -0.49 1.94 -1.65 1.11 0.31 -1.26 -4.87 118.33 113.43 1n20 n VAL 510 Ca -0.05 -0.49 -0.47 0.00 -0.01 0.00 0.00 64.34 63.32 1n20 n VAL 510 Cb 0.60 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 1n20 n VAL 510 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n20 n PRO 511 N 0.53 1.88 -2.07 5.55 -0.02 -1.26 -4.95 135.00 134.66 1n20 n PRO 511 Ca 0.02 0.68 -0.16 0.00 -2.02 0.00 0.00 63.50 62.01 1n20 n PRO 511 Cb 0.39 -2.39 0.08 0.00 -0.02 0.00 0.00 33.50 31.56 1n20 n PRO 511 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n20 n LYS 512 N 2.94 0.20 -0.31 -0.52 4.76 -1.26 -4.74 118.16 119.23 1n20 n LYS 512 Ca 0.16 -1.98 -0.10 0.00 -2.87 0.00 0.00 58.31 53.53 1n20 n LYS 512 Cb 0.27 -0.42 -0.08 0.00 -1.84 0.00 0.00 35.03 32.95 1n20 n LYS 512 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1n20 h THR 513 N -0.44 0.00 -0.02 -0.18 2.02 -1.92 -0.46 112.91 111.92 1n20 h THR 513 Ca -0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1n20 h THR 513 Cb 0.87 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1n20 h THR 513 CO 0.26 0.00 -0.29 0.40 0.37 0.00 0.00 175.52 176.25 1n20 h ILE 514 N -0.06 0.35 -0.17 3.11 1.08 -1.93 -1.23 117.51 118.66 1n20 h ILE 514 Ca 0.12 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.64 1n20 h ILE 514 Cb 0.37 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 1n20 h ILE 514 CO -0.73 0.00 -0.23 -0.61 -0.69 0.00 0.00 178.15 175.88 1n20 h GLN 515 N -0.43 -0.27 -0.62 2.37 4.15 -1.78 0.49 115.11 119.02 1n20 h GLN 515 Ca 0.07 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1n20 h GLN 515 Cb 0.53 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1n20 h GLN 515 CO -0.26 -0.18 0.33 0.00 -1.93 0.00 0.00 178.83 176.79 1n20 h TYR 517 N 0.86 0.39 -0.47 0.00 3.20 -0.60 -2.71 116.97 117.64 1n20 h TYR 517 Ca 0.22 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1n20 h TYR 517 Cb 0.03 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1n20 h TYR 517 CO 0.01 0.79 0.16 0.52 -1.64 0.00 0.00 178.16 178.00 1n20 h MET 518 N -0.11 0.68 0.00 1.82 2.86 -0.77 -1.77 114.93 117.64 1n20 h MET 518 Ca 0.01 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1n20 h MET 518 Cb 0.76 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1n20 h MET 518 CO 0.04 0.58 -0.18 -0.22 1.06 0.00 0.00 176.91 178.19 1n20 h LYS 519 N 0.67 0.00 0.00 1.72 3.64 -1.35 0.23 116.57 121.47 1n20 h LYS 519 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1n20 h LYS 519 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1n20 h LYS 519 CO -0.01 0.18 -0.96 -1.91 -2.27 0.00 0.00 179.45 174.48 1n20 n GLU 520 N -3.24 0.29 0.00 1.90 2.13 -0.87 -4.47 120.64 116.39 1n20 n GLU 520 Ca 0.01 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1n20 n GLU 520 Cb 0.48 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1n20 n GLU 520 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1n20 n THR 521 N -2.00 0.05 -1.32 6.31 -2.24 -0.72 -4.99 114.28 109.37 1n20 n THR 521 Ca 0.02 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1n20 n THR 521 Cb 0.44 1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 70.19 1n20 n THR 521 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1n20 n ASN 522 N -0.02 -4.42 -4.76 3.42 3.02 0.80 -4.92 115.26 108.38 1n20 n ASN 522 Ca 0.00 0.31 -0.32 0.00 -0.03 0.00 0.00 54.58 54.55 1n20 n ASN 522 Cb 0.22 -3.68 0.08 0.00 -0.61 0.00 0.00 39.78 35.80 1n20 n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n20 s ALA 523 N -2.02 2.27 0.62 5.41 0.00 -1.24 -5.02 121.76 121.79 1n20 s ALA 523 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1n20 s ALA 523 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1n20 s ALA 523 CO 0.00 -1.68 1.03 -1.54 0.00 0.00 0.00 175.76 173.56 1n20 s SER 524 N -3.09 6.22 0.46 0.00 1.04 -1.26 -4.72 113.70 112.35 1n20 s SER 524 Ca 0.63 1.42 0.14 0.00 0.48 0.00 0.00 55.95 58.63 1n20 s SER 524 Cb -0.19 -2.47 1.08 0.00 0.10 0.00 0.00 66.02 64.54 1n20 s SER 524 CO 0.52 -0.87 2.04 -0.08 0.98 0.00 0.00 173.24 175.83 1n20 h GLU 525 N -0.31 0.30 -0.32 4.02 4.81 -1.98 0.22 114.58 121.33 1n20 h GLU 525 Ca -0.44 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 1n20 h GLU 525 Cb 1.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1n20 h GLU 525 CO 0.62 0.20 -0.20 0.93 -0.73 0.00 0.00 179.01 179.82 1n20 h GLU 526 N 0.31 0.70 -0.04 1.92 3.07 -2.00 -1.23 114.58 117.30 1n20 h GLU 526 Ca 0.18 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 1n20 h GLU 526 Cb 0.31 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1n20 h GLU 526 CO -0.04 0.93 -0.44 0.93 -1.40 0.00 0.00 179.01 178.99 1n20 h GLU 527 N 0.46 0.10 -0.19 2.33 5.08 -1.57 -2.15 114.58 118.64 1n20 h GLU 527 Ca 0.06 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1n20 h GLU 527 Cb 0.75 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1n20 h GLU 527 CO 0.06 0.52 -0.08 0.00 -1.00 0.00 0.00 179.01 178.51 1n20 h ALA 528 N 1.47 0.26 -0.77 3.43 0.00 -0.40 -1.21 119.26 122.05 1n20 h ALA 528 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1n20 h ALA 528 Cb 0.81 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1n20 h ALA 528 CO 0.06 0.08 0.35 0.28 0.00 0.00 0.00 179.25 180.02 1n20 h VAL 529 N 0.08 1.25 -0.07 0.00 2.07 -1.12 -1.03 116.25 117.44 1n20 h VAL 529 Ca 0.04 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1n20 h VAL 529 Cb 0.56 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1n20 h VAL 529 CO 0.03 0.31 -0.32 -0.08 0.02 0.00 0.00 177.57 177.52 1n20 h GLU 530 N 1.09 0.13 -0.22 1.57 4.57 -1.32 -1.85 114.58 118.55 1n20 h GLU 530 Ca 0.26 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.20 1n20 h GLU 530 Cb 0.15 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1n20 h GLU 530 CO -0.03 0.44 -0.63 1.25 -1.18 0.00 0.00 179.01 178.86 1n20 h HIS 531 N 0.11 0.99 -0.79 0.92 2.76 -0.56 -2.61 115.15 115.98 1n20 h HIS 531 Ca 0.01 -0.38 -0.05 0.00 -2.20 0.00 0.00 60.37 57.75 1n20 h HIS 531 Cb 0.63 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 1n20 h HIS 531 CO 0.01 1.20 0.31 0.28 -1.30 0.00 0.00 177.93 178.42 1n20 h VAL 532 N 0.57 1.26 -0.57 5.26 2.07 -0.78 0.04 116.25 124.09 1n20 h VAL 532 Ca -0.01 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1n20 h VAL 532 Cb 1.23 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1n20 h VAL 532 CO 0.13 0.34 0.28 0.11 0.02 0.00 0.00 177.57 178.45 1n20 h LYS 533 N 1.15 0.80 -0.05 1.57 1.57 -1.27 -0.41 116.57 119.93 1n20 h LYS 533 Ca 0.26 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1n20 h LYS 533 Cb 0.22 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1n20 h LYS 533 CO -0.02 0.61 0.01 0.35 -0.57 0.00 0.00 179.45 179.83 1n20 h PHE 534 N 0.80 0.09 -0.86 -1.35 3.57 -0.94 -2.58 116.94 115.68 1n20 h PHE 534 Ca 0.20 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1n20 h PHE 534 Cb 0.07 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1n20 h PHE 534 CO 0.01 0.32 0.56 -0.07 -2.23 0.00 0.00 178.31 176.90 1n20 h LEU 535 N -0.17 0.86 -0.47 0.59 3.38 -0.38 0.36 115.31 119.48 1n20 h LEU 535 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1n20 h LEU 535 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1n20 h LEU 535 CO 0.00 0.56 0.20 0.40 0.09 0.00 0.00 178.44 179.69 1n20 h ILE 536 N 0.98 1.20 -0.70 1.22 2.04 -0.98 0.54 117.51 121.81 1n20 h ILE 536 Ca 0.36 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1n20 h ILE 536 Cb 0.18 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1n20 h ILE 536 CO -0.13 0.23 0.15 0.03 0.00 0.00 0.00 178.15 178.44 1n20 h ARG 537 N 0.62 1.13 -0.32 2.37 3.08 -0.94 -1.33 114.38 118.98 1n20 h ARG 537 Ca 0.16 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1n20 h ARG 537 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1n20 h ARG 537 CO -0.01 1.00 -0.21 1.49 -1.07 0.00 0.00 179.97 181.17 1n20 h GLU 538 N 1.06 0.61 -0.51 0.04 4.57 -0.52 -1.20 114.58 118.63 1n20 h GLU 538 Ca 0.22 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1n20 h GLU 538 Cb 0.39 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1n20 h GLU 538 CO 0.01 0.78 -0.15 0.00 -1.18 0.00 0.00 179.01 178.46 1n20 h ALA 539 N 1.23 0.76 -0.24 2.92 0.00 0.53 -1.85 119.26 122.61 1n20 h ALA 539 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1n20 h ALA 539 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1n20 h ALA 539 CO 0.05 0.67 -0.41 -1.49 0.00 0.00 0.00 179.25 178.07 1n20 h TRP 540 N 0.88 0.69 -0.43 0.00 4.06 -0.98 0.08 115.95 120.24 1n20 h TRP 540 Ca 0.13 -0.20 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 1n20 h TRP 540 Cb 0.72 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1n20 h TRP 540 CO 0.05 0.89 0.26 -0.22 -3.56 0.00 0.00 178.44 175.86 1n20 h LYS 541 N 0.48 0.59 -0.44 0.49 3.64 -1.02 0.12 116.57 120.42 1n20 h LYS 541 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1n20 h LYS 541 Cb 0.91 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1n20 h LYS 541 CO 0.08 0.44 0.21 -0.44 -2.27 0.00 0.00 179.45 177.46 1n20 h ASP 542 N 0.57 0.58 -0.70 4.20 3.32 -1.03 -1.11 116.42 122.26 1n20 h ASP 542 Ca 0.16 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1n20 h ASP 542 Cb -0.00 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1n20 h ASP 542 CO -0.03 0.56 0.45 -0.03 -1.72 0.00 0.00 179.24 178.47 1n20 h MET 543 N 0.57 0.87 -0.69 3.56 4.05 -0.51 0.49 114.93 123.26 1n20 h MET 543 Ca 0.15 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1n20 h MET 543 Cb 0.13 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1n20 h MET 543 CO -0.02 0.58 0.41 -0.91 0.23 0.00 0.00 176.91 177.20 1n20 h ASN 544 N 0.90 0.84 -0.13 1.39 2.35 -0.50 -0.76 115.58 119.66 1n20 h ASN 544 Ca 0.27 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1n20 h ASN 544 Cb -0.04 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1n20 h ASN 544 CO -0.09 0.66 -0.03 0.74 -1.65 0.00 0.00 177.43 177.06 1n20 h THR 545 N 0.94 1.29 -0.73 2.81 2.02 -0.43 -1.42 112.91 117.40 1n20 h THR 545 Ca 0.25 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.48 1n20 h THR 545 Cb -0.02 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1n20 h THR 545 CO -0.05 0.28 0.45 0.00 0.37 0.00 0.00 175.52 176.58 1n20 h ALA 546 N 0.69 0.97 -0.43 6.16 0.00 0.16 -0.28 119.26 126.54 1n20 h ALA 546 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1n20 h ALA 546 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1n20 h ALA 546 CO 0.01 0.21 -0.27 0.82 0.00 0.00 0.00 179.25 180.03 1n20 h ILE 547 N 0.87 1.27 -0.14 0.00 2.04 -1.11 -2.99 117.51 117.44 1n20 h ILE 547 Ca 0.30 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1n20 h ILE 547 Cb 0.07 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1n20 h ILE 547 CO -0.13 0.48 -0.30 0.00 0.00 0.00 0.00 178.15 178.20 1n20 h ALA 548 N 0.91 1.23 0.00 1.87 0.00 -0.78 -2.75 119.26 119.75 1n20 h ALA 548 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n20 h ALA 548 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n20 h ALA 548 CO 0.07 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1n20 h ALA 549 N 1.45 1.00 0.00 0.00 0.00 -0.90 -3.48 119.26 117.33 1n20 h ALA 549 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n20 h ALA 549 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n20 h ALA 549 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1n20 n GLY 550 N -0.88 1.36 3.32 0.00 0.00 -1.04 -5.11 105.19 102.84 1n20 n GLY 550 Ca -0.02 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1n20 n GLY 550 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n20 s TYR 551 N -2.47 -0.27 -0.28 1.61 -0.85 -1.26 -4.90 117.35 108.93 1n20 s TYR 551 Ca 0.00 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 56.80 1n20 s TYR 551 Cb 0.00 0.22 0.32 0.00 0.38 0.00 0.00 41.96 42.88 1n20 s TYR 551 CO 0.00 -0.57 1.65 -0.35 -1.52 0.00 0.00 175.55 174.76 1n20 n PRO 552 N 0.52 1.74 -4.37 -3.49 -0.04 -1.26 -4.91 135.00 123.18 1n20 n PRO 552 Ca -0.19 -1.64 -0.19 0.00 -0.04 0.00 0.00 63.50 61.44 1n20 n PRO 552 Cb 0.60 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1n20 n PRO 552 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n20 s PHE 553 N -1.84 1.76 0.49 0.54 0.40 -1.26 -4.79 117.98 113.29 1n20 s PHE 553 Ca 0.32 -0.71 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 1n20 s PHE 553 Cb 0.26 -0.95 -0.07 0.00 0.51 0.00 0.00 43.02 42.78 1n20 s PHE 553 CO 0.04 0.23 1.39 -2.14 0.70 0.00 0.00 175.22 175.44 1n20 s PRO 554 N -3.73 3.44 0.30 0.24 0.02 -1.26 -4.89 135.00 129.12 1n20 s PRO 554 Ca 0.26 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1n20 s PRO 554 Cb 0.03 -2.47 0.47 0.00 0.02 0.00 0.00 34.50 32.55 1n20 s PRO 554 CO 0.09 -0.98 1.88 -0.44 -0.33 0.00 0.00 177.00 177.21 1n20 h ASP 555 N 1.92 0.74 -0.67 2.53 3.32 -1.98 -2.34 116.42 119.95 1n20 h ASP 555 Ca -0.51 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 56.49 1n20 h ASP 555 Cb 1.28 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1n20 h ASP 555 CO 0.59 0.69 0.44 1.23 -1.72 0.00 0.00 179.24 180.47 1n20 h GLY 556 N 0.94 0.87 1.07 2.75 0.00 -1.99 0.22 103.07 106.93 1n20 h GLY 556 Ca 0.19 -0.29 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1n20 h GLY 556 CO -0.01 0.22 -0.67 1.98 0.00 0.00 0.00 176.54 178.07 1n20 h MET 557 N 0.71 0.72 -0.29 4.80 1.85 -1.80 -2.86 114.93 118.06 1n20 h MET 557 Ca 0.28 -0.57 -0.09 0.00 -0.61 0.00 0.00 59.70 58.72 1n20 h MET 557 Cb 0.21 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1n20 h MET 557 CO -0.09 1.18 -0.19 0.28 -0.40 0.00 0.00 176.91 177.70 1n20 h VAL 558 N 0.42 1.25 -0.88 -5.77 2.07 -1.09 -1.15 116.25 111.10 1n20 h VAL 558 Ca -0.04 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1n20 h VAL 558 Cb 1.30 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1n20 h VAL 558 CO 0.14 0.38 0.56 0.00 0.02 0.00 0.00 177.57 178.66 1n20 h ALA 559 N 1.33 1.12 -0.52 1.67 0.00 -0.97 0.42 119.26 122.31 1n20 h ALA 559 Ca 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n20 h ALA 559 Cb 0.60 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n20 h ALA 559 CO 0.04 0.55 -0.06 0.78 0.00 0.00 0.00 179.25 180.56 1n20 h GLY 560 N 1.20 1.01 1.05 0.00 0.00 -1.17 -1.43 103.07 103.73 1n20 h GLY 560 Ca 0.32 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1n20 h GLY 560 CO -0.06 0.70 0.11 0.00 0.00 0.00 0.00 176.54 177.28 1n20 h ALA 561 N 1.07 0.84 -0.26 3.60 0.00 -0.29 -0.56 119.26 123.65 1n20 h ALA 561 Ca 0.15 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1n20 h ALA 561 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n20 h ALA 561 CO 0.04 0.59 -0.35 0.00 0.00 0.00 0.00 179.25 179.52 1n20 h ALA 562 N 1.03 0.90 0.01 0.00 0.00 -0.82 -3.25 119.26 117.13 1n20 h ALA 562 Ca 0.19 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1n20 h ALA 562 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1n20 h ALA 562 CO 0.01 0.63 -0.89 -0.91 0.00 0.00 0.00 179.25 178.08 1n20 h ASN 563 N 0.48 0.23 -0.91 0.00 4.21 -0.96 -3.32 115.58 115.32 1n20 h ASN 563 Ca 0.05 -0.19 0.13 0.00 1.21 0.00 0.00 56.30 57.50 1n20 h ASN 563 Cb 0.84 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.90 1n20 h ASN 563 CO 0.07 1.01 0.58 -0.29 -1.29 0.00 0.00 177.43 177.51 1n20 h ILE 564 N 0.09 0.87 -0.20 2.81 2.10 -1.14 0.38 117.51 122.43 1n20 h ILE 564 Ca -0.04 -0.26 -0.18 0.00 1.08 0.00 0.00 64.86 65.45 1n20 h ILE 564 Cb 1.53 0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1n20 h ILE 564 CO 0.13 0.14 -0.60 1.23 -1.08 0.00 0.00 178.15 177.97 1n20 h GLY 565 N 0.77 0.72 0.93 8.18 0.00 -1.72 -3.14 103.07 108.81 1n20 h GLY 565 Ca 0.45 -0.88 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1n20 h GLY 565 CO -0.21 0.79 0.60 3.21 0.00 0.00 0.00 176.54 180.92 1n20 h ARG 566 N 0.49 1.07 -0.65 4.80 3.08 -1.04 -1.56 114.38 120.56 1n20 h ARG 566 Ca -0.00 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1n20 h ARG 566 Cb 1.18 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 1n20 h ARG 566 CO 0.12 0.71 0.42 0.28 -1.07 0.00 0.00 179.97 180.42 1n20 h VAL 567 N 1.10 1.13 -0.77 2.04 2.07 -1.30 -2.16 116.25 118.36 1n20 h VAL 567 Ca 0.37 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1n20 h VAL 567 Cb 0.09 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1n20 h VAL 567 CO -0.13 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.11 1n20 h ALA 568 N 1.26 0.98 -0.19 1.67 0.00 -1.34 0.28 119.26 121.92 1n20 h ALA 568 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1n20 h ALA 568 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1n20 h ALA 568 CO -0.07 0.41 0.06 1.96 0.00 0.00 0.00 179.25 181.61 1n20 h GLN 569 N 1.05 0.26 0.00 0.00 4.20 -0.87 -0.28 115.11 119.47 1n20 h GLN 569 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1n20 h GLN 569 Cb -0.09 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1n20 h GLN 569 CO -0.06 0.24 -0.03 0.35 -0.67 0.00 0.00 178.83 178.66 1n20 h PHE 570 N 0.27 0.00 0.00 2.96 3.57 -0.74 -3.03 116.94 119.96 1n20 h PHE 570 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1n20 h PHE 570 Cb 0.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1n20 h PHE 570 CO 0.00 0.40 -0.01 0.97 -2.23 0.00 0.00 178.31 177.43 1n20 h ILE 571 N -1.00 0.14 -0.29 1.41 2.10 -0.41 -1.77 117.51 117.68 1n20 h ILE 571 Ca -0.01 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1n20 h ILE 571 Cb 0.41 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1n20 h ILE 571 CO -0.00 0.01 0.00 -1.22 -1.08 0.00 0.00 178.15 175.86 1n20 n TYR 572 N -3.25 0.64 -0.31 2.19 0.53 -0.12 -2.72 117.16 114.11 1n20 n TYR 572 Ca -0.02 -0.67 0.01 0.00 -1.02 0.00 0.00 57.90 56.20 1n20 n TYR 572 Cb 0.13 -0.15 0.14 0.00 -1.03 0.00 0.00 39.34 38.43 1n20 n TYR 572 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1n20 h LEU 573 N 1.83 0.86 -5.75 7.72 5.85 -1.19 -3.30 115.31 121.34 1n20 h LEU 573 Ca 0.00 0.01 -0.50 0.00 0.84 0.00 0.00 57.88 58.23 1n20 h LEU 573 Cb 1.03 -0.17 -0.41 0.00 0.37 0.00 0.00 40.66 41.48 1n20 h LEU 573 CO 0.09 0.56 -1.05 1.41 -0.34 0.00 0.00 178.44 179.11 1n20 n HIS 574 N -4.60 1.26 0.00 1.25 8.25 -1.26 -5.10 115.22 115.01 1n20 n HIS 574 Ca 0.12 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.78 1n20 n HIS 574 Cb 0.16 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1n20 n HIS 574 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 575 N 0.12 -0.24 3.32 -1.41 0.00 -1.24 -4.85 105.19 100.89 1n20 n GLY 575 Ca 0.26 -2.21 -0.45 0.00 0.00 0.00 0.00 46.02 43.62 1n20 n GLY 575 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n20 n ASP 576 N 0.00 5.54 0.00 1.61 2.03 -1.15 -4.21 116.55 120.38 1n20 n ASP 576 Ca 0.00 -3.06 0.09 0.00 0.52 0.00 0.00 54.79 52.33 1n20 n ASP 576 Cb 0.00 -1.41 0.42 0.00 -0.72 0.00 0.00 41.12 39.41 1n20 n ASP 576 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n20 n GLY 577 N 2.82 -1.01 0.13 0.27 0.00 -1.10 -0.39 105.19 105.91 1n20 n GLY 577 Ca 0.27 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1n20 n GLY 577 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n20 n PHE 578 N -1.40 0.54 0.00 1.61 7.35 -1.26 -3.97 117.46 120.34 1n20 n PHE 578 Ca 0.06 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1n20 n PHE 578 Cb 0.18 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 38.95 1n20 n PHE 578 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n20 n GLY 579 N 1.74 0.68 0.20 7.13 0.00 -1.23 -4.60 105.19 109.11 1n20 n GLY 579 Ca -0.42 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.75 1n20 n GLY 579 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n20 n VAL 580 N 0.00 -0.26 -2.07 1.61 0.31 -1.26 -0.89 118.33 115.78 1n20 n VAL 580 Ca 0.00 1.29 -0.29 0.00 -0.01 0.00 0.00 64.34 65.33 1n20 n VAL 580 Cb 0.00 -1.99 0.02 0.00 -0.91 0.00 0.00 33.84 30.96 1n20 n VAL 580 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n20 n GLN 581 N -4.57 3.31 0.00 5.55 6.02 0.48 -4.78 117.38 123.39 1n20 n GLN 581 Ca 0.19 -4.08 0.00 0.00 -0.01 0.00 0.00 57.00 53.10 1n20 n GLN 581 Cb 0.64 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1n20 n GLN 581 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1n20 n HIS 582 N -0.64 0.00 0.07 1.08 1.44 -0.07 -3.03 115.22 114.08 1n20 n HIS 582 Ca 0.46 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.21 1n20 n HIS 582 Cb 0.72 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.79 1n20 n HIS 582 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1n20 h SER 583 N 0.02 0.00 0.79 4.39 4.64 -1.86 -2.91 113.55 118.63 1n20 h SER 583 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1n20 h SER 583 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1n20 h SER 583 CO 0.00 0.38 -0.59 0.11 -0.87 0.00 0.00 176.83 175.87 1n20 h LYS 584 N 0.00 0.00 0.00 4.77 1.57 -1.89 -3.02 116.57 118.00 1n20 h LYS 584 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1n20 h LYS 584 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1n20 h LYS 584 CO 0.03 0.59 -0.79 1.15 -0.57 0.00 0.00 179.45 179.86 1n20 h THR 585 N 0.00 0.00 -0.90 -0.16 2.02 -1.75 -3.39 112.91 108.72 1n20 h THR 585 Ca -0.01 -0.95 0.12 0.00 0.77 0.00 0.00 66.41 66.34 1n20 h THR 585 Cb 1.14 1.55 -0.13 0.00 -1.74 0.00 0.00 68.15 68.97 1n20 h THR 585 CO 0.08 0.00 -0.47 0.22 0.37 0.00 0.00 175.52 175.72 1n20 h TYR 586 N 0.00 -1.41 0.25 3.16 3.20 -1.37 -1.17 116.97 119.62 1n20 h TYR 586 Ca 0.00 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1n20 h TYR 586 Cb 0.98 0.74 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 1n20 h TYR 586 CO 0.00 -0.40 -0.27 0.93 -1.64 0.00 0.00 178.16 176.79 1n20 h GLU 587 N -0.05 -0.53 -0.44 1.82 5.08 -1.77 -0.16 114.58 118.53 1n20 h GLU 587 Ca 0.25 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.72 1n20 h GLU 587 Cb 0.53 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1n20 h GLU 587 CO -0.91 -0.35 0.04 1.25 -1.00 0.00 0.00 179.01 178.04 1n20 h HIS 588 N -0.55 0.05 -0.50 4.33 2.76 -1.65 0.22 115.15 119.81 1n20 h HIS 588 Ca -0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1n20 h HIS 588 Cb 0.52 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1n20 h HIS 588 CO -0.18 -0.05 0.21 0.82 -1.30 0.00 0.00 177.93 177.42 1n20 h ILE 589 N 0.16 1.21 -0.61 6.26 2.04 -1.05 -1.04 117.51 124.48 1n20 h ILE 589 Ca 0.22 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1n20 h ILE 589 Cb 0.30 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1n20 h ILE 589 CO -0.33 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.46 1n20 h ALA 590 N 1.05 0.78 -0.16 1.87 0.00 -0.32 0.37 119.26 122.84 1n20 h ALA 590 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n20 h ALA 590 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n20 h ALA 590 CO -0.01 0.17 -0.09 0.78 0.00 0.00 0.00 179.25 180.09 1n20 h GLY 591 N 0.79 0.27 1.11 0.00 0.00 -0.12 0.14 103.07 105.26 1n20 h GLY 591 Ca 0.23 -0.16 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 1n20 h GLY 591 CO -0.07 0.15 -1.63 -2.00 0.00 0.00 0.00 176.54 172.99 1n20 h LEU 592 N 0.24 0.43 0.00 3.11 5.85 -0.51 -3.37 115.31 121.06 1n20 h LEU 592 Ca 0.05 -0.63 -0.21 0.00 0.84 0.00 0.00 57.88 57.93 1n20 h LEU 592 Cb 0.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1n20 h LEU 592 CO 0.02 1.53 -1.86 0.18 -0.34 0.00 0.00 178.44 177.97 1n20 n LEU 593 N -3.47 0.00 -0.00 2.25 4.77 0.06 -4.79 117.00 115.82 1n20 n LEU 593 Ca -0.19 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.85 1n20 n LEU 593 Cb 1.05 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 42.34 1n20 n LEU 593 CO 0.50 0.28 -0.58 0.49 -1.33 0.00 0.00 177.39 176.76 1n20 n PHE 594 N -2.43 0.00 -3.76 -1.77 0.99 0.35 -4.79 117.46 106.05 1n20 n PHE 594 Ca -0.19 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 56.89 1n20 n PHE 594 Cb 0.86 -0.24 -0.13 0.00 -1.00 0.00 0.00 39.48 38.97 1n20 n PHE 594 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n20 s GLU 595 N -2.76 3.39 0.73 -1.08 2.02 -0.33 -5.01 118.70 115.66 1n20 s GLU 595 Ca -0.03 -0.66 -0.15 0.00 0.02 0.00 0.00 54.97 54.15 1n20 s GLU 595 Cb 0.08 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 31.02 1n20 s GLU 595 CO 0.50 -0.31 1.20 -2.14 0.02 0.00 0.00 175.26 174.53 1n20 s PRO 596 N 1.56 2.14 -0.45 0.39 0.02 -1.26 -4.74 135.00 132.65 1n20 s PRO 596 Ca 0.05 1.72 -0.26 0.00 0.02 0.00 0.00 61.00 62.53 1n20 s PRO 596 Cb -0.16 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1n20 s PRO 596 CO 0.03 -1.83 0.94 -0.47 -0.33 0.00 0.00 177.00 175.34 1n20 s TYR 597 N -2.05 2.93 -2.23 6.54 5.04 -1.26 -5.12 117.35 121.21 1n20 s TYR 597 Ca 0.73 0.45 0.30 0.00 -2.44 0.00 0.00 57.07 56.12 1n20 s TYR 597 Cb -0.28 -3.97 1.52 0.00 0.35 0.00 0.00 41.96 39.58 1n20 s TYR 597 CO 0.46 -1.08 2.01 0.00 -1.34 0.00 0.00 175.55 175.59