#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hws s ALA 63 N 0.00 2.79 -0.20 -0.43 0.00 -1.26 -5.03 121.76 117.64 3hws s ALA 63 Ca 0.00 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 3hws s ALA 63 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3hws s ALA 63 CO 0.00 -0.82 0.06 -1.17 0.00 0.00 0.00 175.76 173.83 3hws s LEU 64 N -3.51 3.69 0.59 0.00 2.96 -1.26 -5.08 118.68 116.06 3hws s LEU 64 Ca 0.70 -0.01 -0.20 0.00 -0.22 0.00 0.00 54.13 54.41 3hws s LEU 64 Cb -0.28 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3hws s LEU 64 CO 0.32 0.12 1.18 -0.81 -1.32 0.00 0.00 176.35 175.85 3hws n PRO 65 N 3.90 1.23 -2.62 0.98 -0.04 -1.26 -5.00 135.00 132.18 3hws n PRO 65 Ca -0.16 0.47 -0.30 0.00 -0.04 0.00 0.00 63.50 63.46 3hws n PRO 65 Cb 0.52 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 3hws n PRO 65 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hws s THR 66 N -1.39 4.74 0.44 0.52 -4.23 -1.26 -4.84 115.64 109.62 3hws s THR 66 Ca 0.76 0.72 0.23 0.00 -1.18 0.00 0.00 61.69 62.22 3hws s THR 66 Cb -0.41 -3.76 0.43 0.00 1.34 0.00 0.00 72.50 70.09 3hws s THR 66 CO 0.46 -0.67 1.80 -0.65 -0.54 0.00 0.00 174.62 175.02 3hws h PRO 67 N 0.87 0.27 -0.49 3.99 0.11 -1.95 0.50 132.00 135.30 3hws h PRO 67 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3hws h PRO 67 Cb 1.19 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3hws h PRO 67 CO 0.63 0.18 0.30 0.45 -0.21 0.00 0.00 178.00 179.35 3hws h HIS 68 N 0.28 0.56 -0.18 0.65 3.86 -1.93 -1.74 115.15 116.64 3hws h HIS 68 Ca 0.56 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.69 3hws h HIS 68 Cb 1.63 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.92 3hws h HIS 68 CO -0.00 0.33 -0.25 0.93 0.86 0.00 0.00 177.93 179.79 3hws h GLU 69 N 0.60 0.50 -0.62 2.45 5.08 -0.45 -2.70 114.58 119.44 3hws h GLU 69 Ca 0.20 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3hws h GLU 69 Cb 0.01 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3hws h GLU 69 CO -0.08 0.88 0.29 0.82 -1.00 0.00 0.00 179.01 179.92 3hws h ILE 70 N 0.15 0.88 -0.71 3.13 2.04 -0.98 -2.17 117.51 119.85 3hws h ILE 70 Ca 0.02 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 3hws h ILE 70 Cb 0.82 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hws h ILE 70 CO 0.06 0.10 0.22 -0.09 0.00 0.00 0.00 178.15 178.43 3hws h ARG 71 N 0.53 1.10 -0.79 2.37 2.43 -1.29 -2.28 114.38 116.46 3hws h ARG 71 Ca 0.29 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3hws h ARG 71 Cb 0.27 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3hws h ARG 71 CO -0.23 0.94 0.39 -0.91 -1.51 0.00 0.00 179.97 178.65 3hws h ASN 72 N 1.06 1.03 1.17 -3.80 4.21 -1.07 -1.66 115.58 116.52 3hws h ASN 72 Ca 0.23 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.55 3hws h ASN 72 Cb 0.30 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 3hws h ASN 72 CO -0.01 0.87 -0.27 0.45 -1.29 0.00 0.00 177.43 177.18 3hws h HIS 73 N 1.11 0.00 0.00 1.19 3.86 -1.24 -2.47 115.15 117.61 3hws h HIS 73 Ca 0.27 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 3hws h HIS 73 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3hws h HIS 73 CO 0.01 0.27 -0.68 -0.07 0.86 0.00 0.00 177.93 178.32 3hws h LEU 74 N 0.00 0.00 -2.29 2.43 3.38 -0.95 -3.01 115.31 114.87 3hws h LEU 74 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hws h LEU 74 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hws h LEU 74 CO 0.03 0.68 -0.04 0.44 0.09 0.00 0.00 178.44 179.64 3hws h ASP 75 N 0.00 0.00 1.48 -0.43 3.32 -0.82 0.91 116.42 120.89 3hws h ASP 75 Ca -0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3hws h ASP 75 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3hws h ASP 75 CO 0.09 0.04 -0.53 0.44 -1.72 0.00 0.00 179.24 177.56 3hws h ASP 76 N 0.00 0.00 0.00 6.45 3.32 -1.53 -3.35 116.42 121.30 3hws h ASP 76 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3hws h ASP 76 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3hws h ASP 76 CO 0.01 0.36 -1.83 -1.22 -1.72 0.00 0.00 179.24 174.83 3hws n TYR 77 N -3.11 0.00 -4.80 4.55 4.02 -0.89 -2.89 117.16 114.04 3hws n TYR 77 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3hws n TYR 77 Cb 0.69 -0.56 -0.16 0.00 -0.02 0.00 0.00 39.34 39.28 3hws n TYR 77 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hws s VAL 78 N -2.50 1.42 0.06 -0.72 1.01 0.27 -4.79 120.40 115.13 3hws s VAL 78 Ca -0.06 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3hws s VAL 78 Cb 0.05 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 3hws s VAL 78 CO 0.55 0.41 0.54 -0.63 0.00 0.00 0.00 175.10 175.98 3hws s ILE 79 N 0.37 4.80 0.00 2.22 -1.09 -1.26 -4.34 121.20 121.90 3hws s ILE 79 Ca -0.11 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 3hws s ILE 79 Cb -0.15 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3hws s ILE 79 CO 0.04 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 3hws n GLY 80 N 1.78 0.96 2.93 6.18 0.00 -1.26 -4.90 105.19 110.87 3hws n GLY 80 Ca -0.11 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 3hws n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hws n GLN 81 N 0.00 -4.68 -0.28 1.61 1.13 -1.26 -4.90 117.38 109.00 3hws n GLN 81 Ca 0.00 0.81 0.02 0.00 -1.94 0.00 0.00 57.00 55.89 3hws n GLN 81 Cb 0.00 -5.48 0.22 0.00 0.11 0.00 0.00 30.24 25.10 3hws n GLN 81 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3hws h GLU 82 N -1.37 1.04 -0.41 -1.09 4.39 -1.96 -2.04 114.58 113.14 3hws h GLU 82 Ca -0.48 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 3hws h GLU 82 Cb 1.33 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3hws h GLU 82 CO 0.51 0.69 0.01 0.37 -1.16 0.00 0.00 179.01 179.43 3hws h GLN 83 N 1.07 0.71 -0.14 2.33 5.75 -1.91 -1.87 115.11 121.04 3hws h GLN 83 Ca 0.34 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 3hws h GLN 83 Cb 0.02 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3hws h GLN 83 CO -0.10 0.78 -0.23 0.00 -2.65 0.00 0.00 178.83 176.63 3hws h ALA 84 N 0.90 1.35 -0.03 3.38 0.00 -1.65 -2.38 119.26 120.82 3hws h ALA 84 Ca 0.12 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 3hws h ALA 84 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hws h ALA 84 CO 0.02 0.45 -0.86 0.87 0.00 0.00 0.00 179.25 179.72 3hws h LYS 85 N 0.23 0.41 -0.67 0.00 1.57 -1.17 -0.83 116.57 116.11 3hws h LYS 85 Ca 0.04 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3hws h LYS 85 Cb 0.54 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3hws h LYS 85 CO 0.04 1.06 0.40 -0.22 -0.57 0.00 0.00 179.45 180.16 3hws h LYS 86 N 0.25 0.92 -0.15 3.15 3.64 -1.18 0.47 116.57 123.68 3hws h LYS 86 Ca -0.06 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3hws h LYS 86 Cb 1.48 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3hws h LYS 86 CO 0.15 0.66 0.03 0.28 -2.27 0.00 0.00 179.45 178.30 3hws h VAL 87 N 0.92 1.20 -0.77 2.00 2.07 -1.26 -2.46 116.25 117.96 3hws h VAL 87 Ca 0.24 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3hws h VAL 87 Cb -0.02 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hws h VAL 87 CO -0.04 0.19 0.29 -0.07 0.02 0.00 0.00 177.57 177.96 3hws h LEU 88 N 0.04 1.07 -0.68 2.57 4.07 -1.03 -0.42 115.31 120.93 3hws h LEU 88 Ca 0.05 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.86 3hws h LEU 88 Cb 0.27 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 3hws h LEU 88 CO 0.00 0.96 0.42 0.00 -1.08 0.00 0.00 178.44 178.74 3hws h ALA 89 N 1.15 0.90 -0.05 1.53 0.00 -0.79 0.96 119.26 122.96 3hws h ALA 89 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3hws h ALA 89 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hws h ALA 89 CO -0.02 0.17 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 3hws h VAL 90 N 0.81 1.46 -0.65 0.00 2.07 -1.24 -1.68 116.25 117.02 3hws h VAL 90 Ca 0.28 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.19 3hws h VAL 90 Cb 0.05 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3hws h VAL 90 CO -0.12 0.46 0.37 0.00 0.02 0.00 0.00 177.57 178.30 3hws h ALA 91 N 0.40 0.87 -0.07 1.67 0.00 -0.92 -0.16 119.26 121.05 3hws h ALA 91 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hws h ALA 91 Cb 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hws h ALA 91 CO 0.04 0.06 -0.12 0.28 0.00 0.00 0.00 179.25 179.51 3hws h VAL 92 N 0.69 1.41 -0.27 0.00 2.07 -0.87 -2.07 116.25 117.21 3hws h VAL 92 Ca 0.29 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3hws h VAL 92 Cb 0.15 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 3hws h VAL 92 CO -0.16 0.39 -0.05 0.22 0.02 0.00 0.00 177.57 177.99 3hws h TYR 93 N -0.27 -0.10 -0.40 1.57 3.20 -1.14 -1.79 116.97 118.03 3hws h TYR 93 Ca 0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3hws h TYR 93 Cb 0.69 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 3hws h TYR 93 CO 0.11 -0.09 0.13 -0.91 -1.64 0.00 0.00 178.16 175.76 3hws h ASN 94 N 0.02 0.13 0.06 -2.11 2.35 -1.06 0.82 115.58 115.79 3hws h ASN 94 Ca 0.13 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3hws h ASN 94 Cb 0.19 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3hws h ASN 94 CO -0.26 0.11 -0.35 -0.74 -1.65 0.00 0.00 177.43 174.54 3hws h HIS 95 N 0.29 -0.97 -0.03 1.19 2.76 -0.65 0.16 115.15 117.90 3hws h HIS 95 Ca 0.19 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 3hws h HIS 95 Cb 0.18 0.42 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 3hws h HIS 95 CO -0.16 -0.45 -0.59 1.88 -1.30 0.00 0.00 177.93 177.32 3hws h TYR 96 N -0.54 0.12 -0.36 5.26 -1.99 -1.26 -1.45 116.97 116.75 3hws h TYR 96 Ca 0.04 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 3hws h TYR 96 Cb 0.60 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 3hws h TYR 96 CO -0.34 0.66 -0.07 -0.22 -0.00 0.00 0.00 178.16 178.19 3hws h LYS 97 N 0.07 0.59 0.01 4.88 1.63 -0.39 -1.81 116.57 121.55 3hws h LYS 97 Ca -0.01 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 3hws h LYS 97 Cb 1.06 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3hws h LYS 97 CO 0.08 0.66 -0.00 0.00 -3.45 0.00 0.00 179.45 176.74 3hws h ARG 98 N 0.55 -0.01 -0.87 1.90 -0.00 -0.42 -3.06 114.38 112.47 3hws h ARG 98 Ca 0.11 0.00 0.16 0.00 -0.50 0.00 0.00 59.98 59.75 3hws h ARG 98 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.33 3hws h ARG 98 CO 0.02 0.54 0.44 -0.07 0.00 0.00 0.00 179.97 180.91 3hws h LEU 99 N -0.58 0.51 -0.20 3.04 3.38 -1.08 -1.16 115.31 119.22 3hws h LEU 99 Ca -0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hws h LEU 99 Cb 0.56 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hws h LEU 99 CO 0.00 0.18 0.03 0.03 0.09 0.00 0.00 178.44 178.78 3hws h ARG 100 N 0.59 0.33 0.00 1.13 3.08 -1.39 -2.34 114.38 115.78 3hws h ARG 100 Ca 0.49 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3hws h ARG 100 Cb 0.75 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3hws h ARG 100 CO -0.40 0.48 0.00 -0.91 -1.07 0.00 0.00 179.97 178.07 3hws h ASN 101 N 0.12 0.00 -5.00 7.04 4.21 -1.25 -3.48 115.58 117.22 3hws h ASN 101 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 3hws h ASN 101 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3hws h ASN 101 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 3hws n GLY 102 N -0.67 2.32 0.36 2.83 0.00 -0.51 -4.79 105.19 104.73 3hws n GLY 102 Ca -0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3hws n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hws n ASP 103 N 0.00 -0.91 -3.85 1.61 8.00 -1.26 -4.19 116.55 115.96 3hws n ASP 103 Ca 0.00 1.53 -0.08 0.00 0.71 0.00 0.00 54.79 56.95 3hws n ASP 103 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3hws n ASP 103 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hws s THR 104 N -5.43 0.00 0.12 -3.53 -4.23 -1.26 -2.29 115.64 99.02 3hws s THR 104 Ca -0.10 -1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 59.17 3hws s THR 104 Cb 0.10 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 3hws s THR 104 CO 0.53 0.00 1.55 0.77 -0.54 0.00 0.00 174.62 176.93 3hws h SER 105 N 2.06 0.71 -0.05 3.99 4.64 -1.90 -3.32 113.55 119.68 3hws h SER 105 Ca -0.21 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3hws h SER 105 Cb 1.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hws h SER 105 CO 0.26 0.88 0.00 0.59 -0.87 0.00 0.00 176.83 177.70 3hws n ASN 106 N -4.40 1.69 0.00 4.97 5.03 -1.26 -4.97 115.26 116.32 3hws n ASN 106 Ca -0.01 -1.42 0.00 0.00 0.87 0.00 0.00 54.58 54.02 3hws n ASN 106 Cb 0.32 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 3hws n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hws n GLY 107 N 0.21 0.71 0.13 7.41 0.00 -1.25 -4.98 105.19 107.42 3hws n GLY 107 Ca 0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3hws n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hws n VAL 108 N -2.57 1.56 0.30 1.61 0.31 -1.26 -4.45 118.33 113.83 3hws n VAL 108 Ca 0.00 -0.58 0.13 0.00 -0.01 0.00 0.00 64.34 63.88 3hws n VAL 108 Cb 0.00 -1.51 0.28 0.00 -0.91 0.00 0.00 33.84 31.70 3hws n VAL 108 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hws h GLU 109 N -0.02 0.00 0.00 5.55 3.07 -1.93 -3.47 114.58 117.77 3hws h GLU 109 Ca -0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 3hws h GLU 109 Cb 1.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.83 3hws h GLU 109 CO -0.06 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.02 3hws n LEU 110 N -2.93 0.00 -2.58 1.33 -0.00 -1.26 -3.81 117.00 107.75 3hws n LEU 110 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.90 3hws n LEU 110 Cb 0.48 -0.23 0.05 0.00 -0.00 0.00 0.00 43.42 43.73 3hws n LEU 110 CO 0.32 0.00 0.15 0.61 -0.00 0.00 0.00 177.39 178.47 3hws n GLY 111 N -1.93 -0.06 3.04 1.47 0.00 -0.97 -4.80 105.19 101.94 3hws n GLY 111 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3hws n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hws s LYS 112 N -5.73 2.43 0.03 1.61 -2.85 -1.25 -4.59 119.74 109.40 3hws s LYS 112 Ca 0.33 -0.68 0.03 0.00 -1.00 0.00 0.00 55.97 54.65 3hws s LYS 112 Cb -0.15 -2.28 -0.02 0.00 -2.06 0.00 0.00 37.83 33.33 3hws s LYS 112 CO 0.49 -0.26 -0.10 0.45 0.10 0.00 0.00 175.35 176.03 3hws s SER 113 N 1.42 1.12 0.10 0.03 0.15 -1.26 -5.11 113.70 110.15 3hws s SER 113 Ca 0.04 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.34 3hws s SER 113 Cb -0.13 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 3hws s SER 113 CO -0.11 -0.03 -0.08 0.20 1.20 0.00 0.00 173.24 174.42 3hws s ASN 114 N -0.97 1.31 0.05 5.45 0.01 -1.26 -4.09 114.94 115.45 3hws s ASN 114 Ca -0.02 -0.90 0.07 0.00 -0.71 0.00 0.00 52.86 51.30 3hws s ASN 114 Cb -0.07 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.61 3hws s ASN 114 CO 0.01 -0.36 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.41 3hws s ILE 115 N -2.99 1.61 -0.23 0.60 1.01 0.25 -3.08 121.20 118.37 3hws s ILE 115 Ca 0.08 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 59.52 3hws s ILE 115 Cb 0.01 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 41.12 3hws s ILE 115 CO -0.02 0.15 -0.08 -0.22 0.00 0.00 0.00 174.94 174.77 3hws s LEU 116 N -1.27 2.66 -0.24 2.97 2.96 0.22 -1.14 118.68 124.84 3hws s LEU 116 Ca 0.07 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 52.65 3hws s LEU 116 Cb -0.09 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3hws s LEU 116 CO 0.02 -0.20 0.57 -0.76 -1.32 0.00 0.00 176.35 174.65 3hws s LEU 117 N 1.34 4.09 -0.29 -0.68 1.43 0.16 -1.38 118.68 123.35 3hws s LEU 117 Ca -0.05 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3hws s LEU 117 Cb -0.18 -2.76 0.07 0.00 0.03 0.00 0.00 46.19 43.35 3hws s LEU 117 CO -0.07 -0.29 -0.05 -0.63 0.23 0.00 0.00 176.35 175.55 3hws s ILE 118 N 2.18 2.13 0.17 -0.59 1.01 0.11 -1.49 121.20 124.71 3hws s ILE 118 Ca 0.24 -1.84 -0.23 0.00 0.00 0.00 0.00 60.65 58.82 3hws s ILE 118 Cb -0.16 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.01 3hws s ILE 118 CO 0.09 -0.24 0.63 -0.83 0.00 0.00 0.00 174.94 174.59 3hws s GLY 119 N 1.07 -0.55 1.06 6.18 0.00 -0.88 -1.15 107.32 113.05 3hws s GLY 119 Ca -0.02 0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.98 3hws s GLY 119 CO -0.07 0.14 0.69 -1.05 0.00 0.00 0.00 173.10 172.81 3hws n PRO 120 N -0.38 -1.39 -2.21 2.90 -0.02 -1.26 -3.68 135.00 128.94 3hws n PRO 120 Ca -0.15 -0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 60.55 3hws n PRO 120 Cb 0.64 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3hws n PRO 120 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hws s THR 121 N -2.42 3.18 -0.49 3.45 -4.23 -1.26 -3.07 115.64 110.81 3hws s THR 121 Ca 0.63 0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 62.10 3hws s THR 121 Cb -0.21 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3hws s THR 121 CO 0.64 0.15 0.23 0.61 -0.54 0.00 0.00 174.62 175.71 3hws n GLY 122 N 2.32 0.32 0.03 3.99 0.00 -1.26 -4.44 105.19 106.15 3hws n GLY 122 Ca 0.06 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.67 3hws n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hws n SER 123 N 0.31 0.12 0.00 1.61 3.41 -1.17 -2.88 113.62 115.01 3hws n SER 123 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3hws n SER 123 Cb 0.54 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 66.23 3hws n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hws n GLY 124 N 1.41 0.58 0.46 5.00 0.00 -1.26 -4.92 105.19 106.46 3hws n GLY 124 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3hws n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hws h LYS 125 N 0.00 -0.57 -0.71 1.61 1.57 -1.94 0.20 116.57 116.73 3hws h LYS 125 Ca 0.00 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3hws h LYS 125 Cb 0.00 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3hws h LYS 125 CO 0.00 -0.38 0.43 1.79 -0.57 0.00 0.00 179.45 180.72 3hws h THR 126 N -0.59 1.03 -0.45 -0.16 1.35 -1.99 -2.30 112.91 109.79 3hws h THR 126 Ca 0.03 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3hws h THR 126 Cb 0.69 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 3hws h THR 126 CO -0.42 0.15 0.29 0.25 -0.25 0.00 0.00 175.52 175.53 3hws h LEU 127 N 0.81 0.48 -0.57 3.87 5.85 -1.76 -1.44 115.31 122.55 3hws h LEU 127 Ca 0.31 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.08 3hws h LEU 127 Cb 0.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3hws h LEU 127 CO -0.15 0.35 0.27 -0.07 -0.34 0.00 0.00 178.44 178.50 3hws h LEU 128 N 0.58 0.36 -0.32 2.25 3.38 -0.12 0.12 115.31 121.55 3hws h LEU 128 Ca 0.17 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hws h LEU 128 Cb -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hws h LEU 128 CO -0.05 0.24 0.10 0.00 0.09 0.00 0.00 178.44 178.81 3hws h ALA 129 N 1.34 0.42 -0.49 1.53 0.00 -1.05 -1.44 119.26 119.58 3hws h ALA 129 Ca 0.27 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hws h ALA 129 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hws h ALA 129 CO -0.21 0.06 -0.10 1.49 0.00 0.00 0.00 179.25 180.49 3hws h GLU 130 N 0.37 0.90 -0.50 0.00 4.81 -0.96 -3.01 114.58 116.20 3hws h GLU 130 Ca 0.10 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 3hws h GLU 130 Cb 0.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3hws h GLU 130 CO -0.00 0.96 -0.04 1.15 -0.73 0.00 0.00 179.01 180.35 3hws h THR 131 N 0.81 1.27 -0.93 0.32 2.02 -0.60 -2.44 112.91 113.37 3hws h THR 131 Ca 0.13 -1.14 0.10 0.00 0.77 0.00 0.00 66.41 66.28 3hws h THR 131 Cb 0.62 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 3hws h THR 131 CO 0.04 0.40 0.59 -0.07 0.37 0.00 0.00 175.52 176.86 3hws h LEU 132 N 0.77 0.84 -0.37 2.58 3.38 -1.21 -2.30 115.31 119.00 3hws h LEU 132 Ca 0.14 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hws h LEU 132 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hws h LEU 132 CO 0.03 0.49 0.03 0.00 0.09 0.00 0.00 178.44 179.08 3hws h ALA 133 N 1.54 0.50 -0.39 1.53 0.00 -1.31 -2.82 119.26 118.32 3hws h ALA 133 Ca 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hws h ALA 133 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hws h ALA 133 CO -0.19 0.24 0.11 -0.09 0.00 0.00 0.00 179.25 179.31 3hws h ARG 134 N 0.47 0.62 -0.32 0.00 2.43 -1.19 -0.11 114.38 116.27 3hws h ARG 134 Ca 0.11 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hws h ARG 134 Cb 0.42 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3hws h ARG 134 CO 0.01 0.64 0.22 -0.07 -1.51 0.00 0.00 179.97 179.26 3hws h LEU 135 N 0.49 0.26 -2.49 3.80 3.38 -1.39 -1.67 115.31 117.68 3hws h LEU 135 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hws h LEU 135 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hws h LEU 135 CO -0.00 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.89 3hws n LEU 136 N -4.49 3.40 -3.80 1.67 4.77 -1.06 -4.98 117.00 112.51 3hws n LEU 136 Ca 0.03 -1.70 -0.31 0.00 -0.03 0.00 0.00 56.01 54.00 3hws n LEU 136 Cb 0.17 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3hws n LEU 136 CO 0.35 0.79 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.39 3hws n ASP 137 N 1.30 -3.54 -4.05 -1.43 2.03 -0.19 -4.97 116.55 105.69 3hws n ASP 137 Ca 0.18 -1.03 -0.21 0.00 0.52 0.00 0.00 54.79 54.25 3hws n ASP 137 Cb 0.55 -3.17 -0.15 0.00 -0.72 0.00 0.00 41.12 37.64 3hws n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hws s VAL 138 N -3.63 0.94 0.18 5.18 1.01 -0.39 -5.04 120.40 118.65 3hws s VAL 138 Ca 0.32 -0.48 -0.33 0.00 0.00 0.00 0.00 61.98 61.49 3hws s VAL 138 Cb -0.12 -0.81 -0.15 0.00 0.00 0.00 0.00 36.38 35.30 3hws s VAL 138 CO 0.88 0.28 1.28 -2.65 0.00 0.00 0.00 175.10 174.89 3hws n PRO 139 N 3.03 1.47 -4.41 2.72 -0.02 -1.26 -4.61 135.00 131.92 3hws n PRO 139 Ca -0.16 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 3hws n PRO 139 Cb 0.55 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3hws n PRO 139 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hws s PHE 140 N 0.02 1.00 0.07 6.00 5.36 -1.26 -1.04 117.98 128.12 3hws s PHE 140 Ca 0.74 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 3hws s PHE 140 Cb -0.80 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 3hws s PHE 140 CO 0.50 -0.11 -0.09 -0.08 -1.46 0.00 0.00 175.22 173.97 3hws s THR 141 N 0.23 0.74 0.10 0.12 -1.32 -0.98 -5.00 115.64 109.51 3hws s THR 141 Ca -0.04 -1.34 0.10 0.00 -1.21 0.00 0.00 61.69 59.20 3hws s THR 141 Cb -0.09 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 3hws s THR 141 CO 0.01 -0.46 -0.25 -0.32 -2.21 0.00 0.00 174.62 171.39 3hws s MET 142 N -2.15 1.62 0.06 7.08 1.75 -1.26 -1.74 119.30 124.65 3hws s MET 142 Ca -0.03 -1.23 -0.07 0.00 -1.25 0.00 0.00 55.69 53.11 3hws s MET 142 Cb -0.07 -1.97 -0.01 0.00 2.84 0.00 0.00 34.83 35.63 3hws s MET 142 CO -0.00 0.48 0.14 0.00 -0.65 0.00 0.00 175.02 174.99 3hws s ALA 143 N -0.98 -0.13 -0.17 4.11 0.00 0.12 -4.95 121.76 119.76 3hws s ALA 143 Ca 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3hws s ALA 143 Cb -0.10 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3hws s ALA 143 CO 0.05 -0.41 -0.09 0.34 0.00 0.00 0.00 175.76 175.66 3hws s ASP 144 N -2.50 4.20 0.29 0.00 -1.08 -1.26 -0.60 116.67 115.72 3hws s ASP 144 Ca 0.00 -0.33 -0.03 0.00 -0.52 0.00 0.00 52.55 51.67 3hws s ASP 144 Cb 0.02 -1.68 0.41 0.00 -1.46 0.00 0.00 42.92 40.21 3hws s ASP 144 CO -0.08 0.09 1.95 0.00 0.52 0.00 0.00 175.17 177.65 3hws h ALA 145 N 7.28 1.39 -0.43 3.66 0.00 -0.42 -2.63 119.26 128.11 3hws h ALA 145 Ca -0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3hws h ALA 145 Cb 1.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hws h ALA 145 CO 0.59 0.55 -0.13 1.15 0.00 0.00 0.00 179.25 181.41 3hws h THR 146 N 1.17 1.26 -0.56 0.00 2.02 -1.73 0.83 112.91 115.90 3hws h THR 146 Ca 0.34 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 3hws h THR 146 Cb -0.08 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3hws h THR 146 CO -0.08 0.41 -0.04 0.71 0.37 0.00 0.00 175.52 176.88 3hws h THR 147 N 0.71 1.26 -0.23 3.16 1.35 -1.92 -3.08 112.91 114.17 3hws h THR 147 Ca 0.12 -1.18 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 3hws h THR 147 Cb 0.61 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3hws h THR 147 CO 0.04 0.42 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.63 3hws h LEU 148 N 0.91 0.42 -9.52 3.87 3.38 -0.95 -3.46 115.31 109.95 3hws h LEU 148 Ca 0.16 -0.34 -0.59 0.00 0.09 0.00 0.00 57.88 57.19 3hws h LEU 148 Cb 0.59 -0.11 0.14 0.00 0.09 0.00 0.00 40.66 41.36 3hws h LEU 148 CO 0.04 0.66 -0.07 1.07 0.09 0.00 0.00 178.44 180.22 3hws n THR 149 N -4.62 2.27 -0.97 0.22 5.66 0.28 -3.31 114.28 113.80 3hws n THR 149 Ca -0.04 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 3hws n THR 149 Cb 0.26 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 3hws n THR 149 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3hws n GLU 150 N 0.25 -0.20 -4.77 1.09 4.71 -1.26 -4.98 120.64 115.47 3hws n GLU 150 Ca 0.11 0.05 -0.31 0.00 -0.01 0.00 0.00 57.16 57.00 3hws n GLU 150 Cb 0.40 -3.13 -0.14 0.00 -1.01 0.00 0.00 31.44 27.56 3hws n GLU 150 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hws s ALA 151 N -2.45 2.45 -0.12 0.62 0.00 -1.21 -5.02 121.76 116.03 3hws s ALA 151 Ca 0.00 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 3hws s ALA 151 Cb 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 23.12 22.23 3hws s ALA 151 CO 0.00 0.56 0.56 0.78 0.00 0.00 0.00 175.76 177.66 3hws h GLY 152 N 4.67 0.19 1.15 0.00 0.00 -1.95 -3.29 103.07 103.85 3hws h GLY 152 Ca -0.47 -0.49 0.09 0.00 0.00 0.00 0.00 47.33 46.46 3hws h GLY 152 CO 0.46 0.43 0.33 -1.82 0.00 0.00 0.00 176.54 175.95 3hws h TYR 153 N -0.54 0.00 0.00 5.60 3.20 -1.97 0.11 116.97 123.37 3hws h TYR 153 Ca -0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3hws h TYR 153 Cb 1.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.82 3hws h TYR 153 CO 0.15 0.00 0.00 -0.24 -1.64 0.00 0.00 178.16 176.43 3hws h VAL 154 N 0.00 0.00 -0.20 1.81 3.04 -1.86 0.75 116.25 119.79 3hws h VAL 154 Ca 0.15 -0.73 -0.09 0.00 -1.01 0.00 0.00 66.70 65.03 3hws h VAL 154 Cb 0.82 1.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3hws h VAL 154 CO -0.00 0.00 -0.23 1.23 -1.01 0.00 0.00 177.57 177.56 3hws h GLY 155 N 2.91 0.56 2.00 3.17 0.00 -0.91 1.32 103.07 112.12 3hws h GLY 155 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 3hws h GLY 155 CO 0.00 0.53 -0.13 1.05 0.00 0.00 0.00 176.54 177.99 3hws h GLU 156 N 0.18 0.00 -0.00 4.80 4.11 -1.07 -2.52 114.58 120.08 3hws h GLU 156 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3hws h GLU 156 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3hws h GLU 156 CO 0.06 0.13 -0.60 -0.40 0.07 0.00 0.00 179.01 178.27 3hws n ASP 157 N -3.48 0.98 -0.20 3.06 5.75 0.25 -3.67 116.55 119.24 3hws n ASP 157 Ca -0.01 -0.79 -0.04 0.00 -0.01 0.00 0.00 54.79 53.94 3hws n ASP 157 Cb 0.29 0.48 0.14 0.00 -1.03 0.00 0.00 41.12 41.00 3hws n ASP 157 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3hws h VAL 158 N 0.60 1.24 0.00 2.12 2.07 0.21 0.54 116.25 123.04 3hws h VAL 158 Ca 0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3hws h VAL 158 Cb 0.54 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3hws h VAL 158 CO 0.00 0.32 0.00 1.05 0.02 0.00 0.00 177.57 178.96 3hws h GLU 159 N 0.95 0.00 0.00 1.57 4.11 -1.63 -0.76 114.58 118.82 3hws h GLU 159 Ca 0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.57 3hws h GLU 159 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hws h GLU 159 CO -0.01 0.00 -0.37 -0.97 0.07 0.00 0.00 179.01 177.73 3hws h ASN 160 N 0.00 0.00 -0.16 3.06 -1.24 -0.03 0.48 115.58 117.69 3hws h ASN 160 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 3hws h ASN 160 Cb 0.18 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 3hws h ASN 160 CO 0.00 0.37 -0.18 0.40 -1.29 0.00 0.00 177.43 176.73 3hws h ILE 161 N 0.00 0.53 0.00 2.57 2.04 -0.93 1.00 117.51 122.71 3hws h ILE 161 Ca -0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3hws h ILE 161 Cb 0.69 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3hws h ILE 161 CO 0.05 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.24 3hws h ILE 162 N -0.21 1.19 -0.00 -0.67 2.04 -1.23 0.38 117.51 119.02 3hws h ILE 162 Ca 0.11 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3hws h ILE 162 Cb 0.37 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3hws h ILE 162 CO -0.29 0.35 -0.00 1.67 0.00 0.00 0.00 178.15 179.89 3hws n GLN 163 N -4.01 0.66 -0.08 2.37 -0.06 0.15 -0.50 117.38 115.92 3hws n GLN 163 Ca -0.02 -0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.90 3hws n GLN 163 Cb 0.41 -1.50 -0.12 0.00 -4.06 0.00 0.00 30.24 24.96 3hws n GLN 163 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3hws n LYS 164 N -1.17 1.33 0.05 3.69 4.01 0.34 -4.11 118.16 122.30 3hws n LYS 164 Ca 0.18 -0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.78 3hws n LYS 164 Cb 0.19 -1.41 -0.14 0.00 -0.51 0.00 0.00 35.03 33.16 3hws n LYS 164 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 3hws h LEU 165 N 0.00 0.53 -1.04 -0.35 8.10 -0.27 -3.16 115.31 119.11 3hws h LEU 165 Ca -0.44 -0.90 0.00 0.00 0.11 0.00 0.00 57.88 56.66 3hws h LEU 165 Cb 1.97 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 42.02 3hws h LEU 165 CO 0.02 1.38 0.00 0.00 -4.11 0.00 0.00 178.44 175.73 3hws n LEU 166 N -4.10 0.65 0.14 0.17 -0.00 0.35 -0.48 117.00 113.72 3hws n LEU 166 Ca -0.13 0.71 -0.23 0.00 -0.00 0.00 0.00 56.01 56.37 3hws n LEU 166 Cb 0.81 -0.69 -0.15 0.00 -0.00 0.00 0.00 43.42 43.39 3hws n LEU 166 CO 0.50 -0.74 -0.19 1.56 -0.00 0.00 0.00 177.39 178.51 3hws h GLN 167 N 0.00 0.48 0.00 1.47 4.20 -1.71 0.15 115.11 119.70 3hws h GLN 167 Ca 0.00 -0.82 -0.17 0.00 0.06 0.00 0.00 58.65 57.72 3hws h GLN 167 Cb 0.22 0.31 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3hws h GLN 167 CO 0.00 1.39 -0.81 0.87 -0.67 0.00 0.00 178.83 179.61 3hws h LYS 168 N 0.13 0.00 -0.01 1.46 1.57 -1.06 -3.07 116.57 115.60 3hws h LYS 168 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3hws h LYS 168 Cb 2.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.44 3hws h LYS 168 CO 0.26 0.78 -0.30 0.00 -0.57 0.00 0.00 179.45 179.62 3hws n ASP 170 N -0.84 -4.21 -1.04 0.00 9.92 -1.02 -3.32 116.55 116.04 3hws n ASP 170 Ca 0.11 -0.60 -0.07 0.00 -0.53 0.00 0.00 54.79 53.70 3hws n ASP 170 Cb 0.34 -4.68 -0.03 0.00 -0.64 0.00 0.00 41.12 36.11 3hws n ASP 170 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hws n TYR 171 N -3.40 -0.50 0.20 1.24 0.18 0.49 -4.76 117.16 110.60 3hws n TYR 171 Ca -0.16 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.66 3hws n TYR 171 Cb 0.63 -1.85 0.40 0.00 -0.38 0.00 0.00 39.34 38.13 3hws n TYR 171 CO 0.00 0.00 0.00 0.22 -2.08 0.00 0.00 176.86 175.00 3hws h ASP 172 N 0.00 0.00 0.00 9.48 3.58 -1.84 -3.46 116.42 124.18 3hws h ASP 172 Ca -0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3hws h ASP 172 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3hws h ASP 172 CO 0.21 0.34 0.00 0.52 -2.88 0.00 0.00 179.24 177.43 3hws n VAL 173 N -4.01 0.00 0.20 2.25 0.31 -1.26 -4.20 118.33 111.62 3hws n VAL 173 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 3hws n VAL 173 Cb 0.39 0.00 0.41 0.00 -0.91 0.00 0.00 33.84 33.73 3hws n VAL 173 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3hws h GLN 174 N 0.00 0.00 0.08 5.55 3.07 -1.98 0.20 115.11 122.03 3hws h GLN 174 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.46 3hws h GLN 174 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 3hws h GLN 174 CO 0.00 0.34 -1.38 0.87 0.09 0.00 0.00 178.83 178.75 3hws h LYS 175 N 0.00 0.16 -0.54 0.06 1.57 -1.91 -3.29 116.57 112.62 3hws h LYS 175 Ca -0.00 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 3hws h LYS 175 Cb 0.72 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3hws h LYS 175 CO 0.04 1.03 0.09 0.00 -0.57 0.00 0.00 179.45 180.05 3hws h ALA 176 N 0.69 1.15 0.00 3.86 0.00 -1.74 -2.17 119.26 121.04 3hws h ALA 176 Ca -0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hws h ALA 176 Cb 1.95 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3hws h ALA 176 CO 0.15 0.57 -0.34 -0.56 0.00 0.00 0.00 179.25 179.07 3hws h GLN 177 N 0.81 0.00 0.00 0.00 3.07 -1.07 -1.92 115.11 116.00 3hws h GLN 177 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3hws h GLN 177 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3hws h GLN 177 CO 0.01 0.34 -0.15 0.00 0.09 0.00 0.00 178.83 179.11 3hws h ARG 178 N 0.00 0.00 -7.13 0.06 3.08 -1.53 -2.33 114.38 106.54 3hws h ARG 178 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3hws h ARG 178 Cb 0.67 0.00 0.22 0.00 0.08 0.00 0.00 29.97 30.94 3hws h ARG 178 CO 0.04 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.33 3hws n GLY 179 N 1.24 -1.70 3.16 0.04 0.00 -0.72 -4.67 105.19 102.53 3hws n GLY 179 Ca 0.04 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 3hws n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hws s ILE 180 N -2.45 1.59 -0.10 -0.61 1.01 -0.21 -1.90 121.20 118.53 3hws s ILE 180 Ca 0.68 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3hws s ILE 180 Cb -0.24 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 3hws s ILE 180 CO 0.64 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 175.12 3hws s VAL 181 N 0.04 2.25 -0.23 2.92 1.01 0.16 -2.33 120.40 124.22 3hws s VAL 181 Ca -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3hws s VAL 181 Cb -0.13 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 3hws s VAL 181 CO 0.03 0.55 -0.03 -0.47 0.00 0.00 0.00 175.10 175.18 3hws s TYR 182 N 0.30 2.99 -0.24 5.22 5.04 -0.71 -0.81 117.35 129.14 3hws s TYR 182 Ca -0.16 -1.05 -0.10 0.00 -2.44 0.00 0.00 57.07 53.31 3hws s TYR 182 Cb -0.17 -2.11 -0.05 0.00 0.35 0.00 0.00 41.96 39.98 3hws s TYR 182 CO 0.08 -0.58 0.15 0.42 -1.34 0.00 0.00 175.55 174.27 3hws s ILE 183 N 1.45 5.20 0.10 3.14 -1.09 0.06 -0.71 121.20 129.36 3hws s ILE 183 Ca 0.05 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.61 3hws s ILE 183 Cb -0.15 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3hws s ILE 183 CO -0.03 0.34 0.20 -0.62 -1.23 0.00 0.00 174.94 173.60 3hws s ASP 184 N 1.16 6.08 -1.29 3.58 2.15 0.23 -0.06 116.67 128.52 3hws s ASP 184 Ca 0.07 0.13 -0.06 0.00 0.43 0.00 0.00 52.55 53.12 3hws s ASP 184 Cb -0.14 -1.78 0.01 0.00 -0.30 0.00 0.00 42.92 40.71 3hws s ASP 184 CO 0.05 0.12 1.12 0.00 -0.17 0.00 0.00 175.17 176.29 3hws n GLN 185 N -0.02 -7.49 0.21 4.34 6.02 0.04 0.25 117.38 120.73 3hws n GLN 185 Ca -0.07 0.82 0.08 0.00 -0.01 0.00 0.00 57.00 57.82 3hws n GLN 185 Cb 0.53 -5.83 0.40 0.00 1.02 0.00 0.00 30.24 26.35 3hws n GLN 185 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3hws h ILE 186 N -2.44 0.72 0.00 5.09 2.04 -1.72 -2.83 117.51 118.37 3hws h ILE 186 Ca -0.57 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 63.95 3hws h ILE 186 Cb 1.36 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3hws h ILE 186 CO 0.53 0.29 -0.16 -2.24 0.00 0.00 0.00 178.15 176.57 3hws h ASP 187 N 0.00 0.00 0.53 1.72 2.03 -1.90 -3.00 116.42 115.80 3hws h ASP 187 Ca -0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 3hws h ASP 187 Cb 0.82 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 3hws h ASP 187 CO 0.04 0.16 -0.69 0.11 -1.03 0.00 0.00 179.24 177.83 3hws h LYS 188 N 0.00 0.14 0.00 4.15 1.79 -1.89 -3.02 116.57 117.75 3hws h LYS 188 Ca -0.00 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3hws h LYS 188 Cb 0.43 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3hws h LYS 188 CO 0.02 0.78 -0.20 -0.84 -1.08 0.00 0.00 179.45 178.13 3hws h ILE 189 N 0.10 0.71 -3.44 1.86 3.07 -1.65 -3.43 117.51 114.73 3hws h ILE 189 Ca -0.02 -0.84 -0.54 0.00 1.55 0.00 0.00 64.86 65.01 3hws h ILE 189 Cb 1.23 1.53 -0.04 0.00 -0.27 0.00 0.00 36.82 39.27 3hws h ILE 189 CO 0.10 0.20 0.14 -0.55 -1.05 0.00 0.00 178.15 176.99 3hws s SER 190 N -6.32 7.25 0.38 2.16 0.15 -1.14 -4.17 113.70 112.00 3hws s SER 190 Ca -0.02 1.49 0.18 0.00 0.70 0.00 0.00 55.95 58.30 3hws s SER 190 Cb 0.13 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.70 3hws s SER 190 CO 0.63 0.12 1.77 0.08 1.20 0.00 0.00 173.24 177.03 3hws h ARG 191 N 5.06 0.00 0.00 5.44 -0.00 -1.81 -3.48 114.38 119.59 3hws h ARG 191 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 3hws h ARG 191 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 3hws h ARG 191 CO 0.68 0.37 0.00 0.39 -0.00 0.00 0.00 179.97 181.41 3hws n GLU 205 N -3.64 0.00 0.11 0.08 -0.58 -1.26 -4.30 120.64 111.05 3hws n GLU 205 Ca -0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3hws n GLU 205 Cb 0.48 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.53 3hws n GLU 205 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3hws h GLY 206 N 0.00 0.16 1.61 0.62 0.00 -2.00 -2.15 103.07 101.31 3hws h GLY 206 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3hws h GLY 206 CO 0.00 0.16 -0.28 -0.39 0.00 0.00 0.00 176.54 176.03 3hws h VAL 207 N 0.11 1.27 -0.51 4.60 -1.51 -1.95 -2.88 116.25 115.38 3hws h VAL 207 Ca -0.00 -1.32 -0.01 0.00 -1.23 0.00 0.00 66.70 64.14 3hws h VAL 207 Cb 1.00 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 3hws h VAL 207 CO 0.08 0.41 0.28 1.56 -1.23 0.00 0.00 177.57 178.67 3hws h GLN 208 N 0.40 0.71 -0.91 5.19 4.20 -1.80 -1.46 115.11 121.43 3hws h GLN 208 Ca 0.05 -0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.85 3hws h GLN 208 Cb 0.70 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 3hws h GLN 208 CO 0.05 0.55 0.59 1.96 -0.67 0.00 0.00 178.83 181.31 3hws h GLN 209 N 0.68 0.62 -0.78 1.46 4.20 -1.26 0.10 115.11 120.12 3hws h GLN 209 Ca 0.18 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.89 3hws h GLN 209 Cb 0.05 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3hws h GLN 209 CO -0.03 0.41 0.51 0.00 -0.67 0.00 0.00 178.83 179.06 3hws h ALA 210 N 1.61 1.53 -0.08 3.87 0.00 -1.14 0.61 119.26 125.66 3hws h ALA 210 Ca 0.47 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.13 3hws h ALA 210 Cb 0.84 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hws h ALA 210 CO -0.22 0.39 -0.82 1.37 0.00 0.00 0.00 179.25 179.96 3hws h LEU 211 N 0.96 0.71 0.14 0.00 -0.00 -0.87 -0.15 115.31 116.10 3hws h LEU 211 Ca 0.31 -0.49 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 3hws h LEU 211 Cb 0.04 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 3hws h LEU 211 CO -0.09 1.27 -0.07 -0.07 -0.00 0.00 0.00 178.44 179.49 3hws h LEU 212 N 0.38 -0.16 -1.27 0.17 3.38 -0.31 0.69 115.31 118.19 3hws h LEU 212 Ca -0.06 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hws h LEU 212 Cb 1.44 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 3hws h LEU 212 CO 0.15 -0.07 0.51 0.07 0.09 0.00 0.00 178.44 179.19 3hws h LYS 213 N -0.23 0.93 0.11 1.13 2.10 -0.94 -1.94 116.57 117.74 3hws h LYS 213 Ca -0.02 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 3hws h LYS 213 Cb 0.18 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3hws h LYS 213 CO 0.03 0.61 -0.05 1.25 -2.00 0.00 0.00 179.45 179.29 3hws h LEU 214 N 0.95 -0.13 -1.89 7.07 5.85 0.01 -2.57 115.31 124.60 3hws h LEU 214 Ca 0.31 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.13 3hws h LEU 214 Cb 0.04 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hws h LEU 214 CO -0.09 -0.06 0.37 0.40 -0.34 0.00 0.00 178.44 178.72 3hws h ILE 215 N -0.18 0.79 -2.66 4.05 2.04 0.11 -3.41 117.51 118.24 3hws h ILE 215 Ca -0.02 -0.04 -0.67 0.00 1.00 0.00 0.00 64.86 65.13 3hws h ILE 215 Cb 0.14 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 3hws h ILE 215 CO 0.03 0.02 -0.48 -1.61 0.00 0.00 0.00 178.15 176.11 3hws s GLU 216 N -5.13 3.45 -0.12 2.37 2.02 -0.93 -1.30 118.70 119.05 3hws s GLU 216 Ca -0.06 -0.13 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 3hws s GLU 216 Cb 0.20 -3.19 0.04 0.00 0.10 0.00 0.00 34.13 31.27 3hws s GLU 216 CO 0.73 0.77 0.31 0.20 0.02 0.00 0.00 175.26 177.29 3hws s GLY 217 N -0.99 -0.22 0.07 -1.39 0.00 -1.26 -4.53 107.32 98.99 3hws s GLY 217 Ca 0.15 1.06 0.08 0.00 0.00 0.00 0.00 44.72 46.00 3hws s GLY 217 CO 0.04 1.11 -0.21 -1.08 0.00 0.00 0.00 173.10 172.96 3hws s THR 218 N 0.77 1.71 -0.14 0.90 -1.32 -1.26 -4.64 115.64 111.65 3hws s THR 218 Ca -0.05 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 3hws s THR 218 Cb -0.06 -1.51 0.02 0.00 -1.51 0.00 0.00 72.50 69.44 3hws s THR 218 CO -0.05 0.10 -0.14 0.54 -2.21 0.00 0.00 174.62 172.86 3hws s VAL 219 N -0.96 1.50 -0.20 5.08 0.11 -1.26 -4.96 120.40 119.72 3hws s VAL 219 Ca 0.07 -0.59 0.17 0.00 -2.93 0.00 0.00 61.98 58.70 3hws s VAL 219 Cb -0.09 -1.42 0.06 0.00 -1.53 0.00 0.00 36.38 33.40 3hws s VAL 219 CO 0.03 0.45 1.32 0.00 -3.33 0.00 0.00 175.10 173.57 3hws h ALA 220 N 8.01 0.71 -5.69 1.54 0.00 -2.03 -3.54 119.26 118.25 3hws h ALA 220 Ca -0.37 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 3hws h ALA 220 Cb 1.14 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.97 3hws h ALA 220 CO 0.51 0.53 -0.38 0.00 0.00 0.00 0.00 179.25 179.91 3hws n ALA 221 N -2.23 -2.56 0.10 0.00 0.00 -1.26 -5.37 120.51 109.19 3hws n ALA 221 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 3hws n ALA 221 Cb 0.71 -2.18 0.13 0.00 0.00 0.00 0.00 19.45 18.11 3hws n ALA 221 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hws n PHE 235 N -2.33 0.17 -3.57 0.00 -1.74 -1.26 -5.35 117.46 103.37 3hws n PHE 235 Ca -0.07 0.09 -0.41 0.00 -0.56 0.00 0.00 57.45 56.50 3hws n PHE 235 Cb 0.56 -0.32 -0.11 0.00 1.52 0.00 0.00 39.48 41.13 3hws n PHE 235 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 3hws s LEU 236 N -3.27 4.77 0.11 5.98 2.34 -1.26 -4.95 118.68 122.41 3hws s LEU 236 Ca -0.01 -0.95 -0.04 0.00 0.06 0.00 0.00 54.13 53.20 3hws s LEU 236 Cb 0.01 -2.05 -0.15 0.00 -0.56 0.00 0.00 46.19 43.44 3hws s LEU 236 CO 0.04 -0.39 1.25 -0.61 -1.06 0.00 0.00 176.35 175.59 3hws h GLN 237 N 8.47 0.34 -5.70 1.48 4.15 -2.00 -3.45 115.11 118.41 3hws h GLN 237 Ca -0.26 -0.43 -0.66 0.00 0.77 0.00 0.00 58.65 58.06 3hws h GLN 237 Cb 1.11 0.14 -0.12 0.00 0.21 0.00 0.00 27.48 28.82 3hws h GLN 237 CO 0.68 1.13 -0.55 0.54 -1.93 0.00 0.00 178.83 178.70 3hws s VAL 238 N -3.05 4.89 0.59 2.39 0.11 -1.26 -5.09 120.40 118.98 3hws s VAL 238 Ca -0.05 -0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 58.78 3hws s VAL 238 Cb 0.08 -3.12 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 3hws s VAL 238 CO 0.87 0.58 1.32 1.51 -3.33 0.00 0.00 175.10 176.05 3hws s ASP 239 N -0.69 4.99 0.17 3.54 -4.77 -1.26 -4.92 116.67 113.73 3hws s ASP 239 Ca 0.12 2.68 0.25 0.00 -3.30 0.00 0.00 52.55 52.30 3hws s ASP 239 Cb -0.12 -2.63 0.53 0.00 -1.09 0.00 0.00 42.92 39.62 3hws s ASP 239 CO 0.02 -1.75 1.52 0.74 0.70 0.00 0.00 175.17 176.40 3hws h THR 240 N 1.03 0.00 -0.32 2.11 2.02 -1.80 -3.32 112.91 112.63 3hws h THR 240 Ca -0.51 -0.51 0.09 0.00 0.77 0.00 0.00 66.41 66.25 3hws h THR 240 Cb 1.32 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3hws h THR 240 CO 0.55 0.00 0.29 0.28 0.37 0.00 0.00 175.52 177.01 3hws h SER 241 N 0.00 0.00 0.81 4.18 0.02 -1.46 -1.89 113.55 115.20 3hws h SER 241 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 3hws h SER 241 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3hws h SER 241 CO 0.00 0.00 -1.14 0.50 -1.14 0.00 0.00 176.83 175.05 3hws h LYS 242 N 0.00 0.13 -7.09 3.45 3.64 -1.81 -3.38 116.57 111.50 3hws h LYS 242 Ca 0.15 -0.22 -0.51 0.00 -1.27 0.00 0.00 60.65 58.80 3hws h LYS 242 Cb 0.72 0.08 0.09 0.00 -0.41 0.00 0.00 32.23 32.72 3hws h LYS 242 CO -0.00 1.09 0.44 0.96 -2.27 0.00 0.00 179.45 179.68 3hws s ILE 243 N -2.68 2.96 -0.16 2.00 -4.36 -0.71 -4.72 121.20 113.53 3hws s ILE 243 Ca -0.02 0.59 -0.19 0.00 -0.26 0.00 0.00 60.65 60.78 3hws s ILE 243 Cb 0.09 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 3hws s ILE 243 CO 0.85 -0.13 0.53 -0.22 0.24 0.00 0.00 174.94 176.21 3hws s LEU 244 N -3.94 4.21 -0.23 0.37 2.96 -0.80 -4.83 118.68 116.42 3hws s LEU 244 Ca 0.74 0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 3hws s LEU 244 Cb -0.26 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 3hws s LEU 244 CO 0.30 -0.12 0.06 -0.36 -1.32 0.00 0.00 176.35 174.91 3hws s PHE 245 N 1.23 3.11 -0.13 5.38 0.40 -1.26 -0.66 117.98 126.05 3hws s PHE 245 Ca 0.26 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3hws s PHE 245 Cb -0.16 -2.19 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 3hws s PHE 245 CO 0.11 -0.24 -0.18 0.42 0.70 0.00 0.00 175.22 176.03 3hws s ILE 246 N 1.30 2.57 -0.21 0.64 1.01 0.01 -0.59 121.20 125.93 3hws s ILE 246 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3hws s ILE 246 Cb -0.15 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.31 3hws s ILE 246 CO 0.03 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.34 3hws s GLY 248 N 1.24 2.09 -0.02 0.00 0.00 0.92 0.39 107.32 111.94 3hws s GLY 248 Ca 0.01 -0.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.58 3hws s GLY 248 CO -0.10 -0.78 0.75 -0.32 0.00 0.00 0.00 173.10 172.65 3hws s GLY 249 N -2.04 -0.52 0.03 0.20 0.00 -0.55 -0.78 107.32 103.66 3hws s GLY 249 Ca 0.27 1.23 -0.01 0.00 0.00 0.00 0.00 44.72 46.21 3hws s GLY 249 CO 0.19 0.72 0.95 0.00 0.00 0.00 0.00 173.10 174.96 3hws h ALA 250 N 2.57 0.28 -6.35 3.20 0.00 -1.87 -2.35 119.26 114.73 3hws h ALA 250 Ca -0.26 -1.07 -0.43 0.00 0.00 0.00 0.00 54.91 53.15 3hws h ALA 250 Cb 1.19 0.19 0.05 0.00 0.00 0.00 0.00 17.79 19.22 3hws h ALA 250 CO 0.36 1.15 -0.90 1.19 0.00 0.00 0.00 179.25 181.06 3hws n PHE 251 N -3.43 -1.93 -0.00 0.00 3.01 -1.26 -4.51 117.46 109.34 3hws n PHE 251 Ca -0.13 0.49 0.01 0.00 1.01 0.00 0.00 57.45 58.83 3hws n PHE 251 Cb 1.03 -3.28 0.32 0.00 -0.01 0.00 0.00 39.48 37.53 3hws n PHE 251 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hws h ALA 252 N 1.00 1.42 0.00 4.37 0.00 -1.97 -2.73 119.26 121.36 3hws h ALA 252 Ca -0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 3hws h ALA 252 Cb 1.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hws h ALA 252 CO 0.46 0.41 -0.73 0.78 0.00 0.00 0.00 179.25 180.17 3hws h GLY 253 N 0.79 0.00 1.10 0.00 0.00 -2.00 -3.36 103.07 99.60 3hws h GLY 253 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.50 3hws h GLY 253 CO 0.00 0.00 0.47 -2.00 0.00 0.00 0.00 176.54 175.01 3hws h LEU 254 N 0.00 0.68 -2.02 3.11 5.85 -1.84 -1.57 115.31 119.52 3hws h LEU 254 Ca -0.01 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hws h LEU 254 Cb 1.03 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3hws h LEU 254 CO 0.00 0.45 0.05 -2.24 -0.34 0.00 0.00 178.44 176.36 3hws h ASP 255 N 0.78 0.00 0.06 1.25 3.04 -1.71 -1.55 116.42 118.29 3hws h ASP 255 Ca 0.30 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.09 3hws h ASP 255 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 3hws h ASP 255 CO -0.09 0.00 -0.03 0.11 -2.04 0.00 0.00 179.24 177.19 3hws h LYS 256 N 0.00 -0.08 -0.04 4.15 1.57 -1.54 -3.06 116.57 117.56 3hws h LYS 256 Ca 0.03 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hws h LYS 256 Cb 0.13 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hws h LYS 256 CO -0.00 0.51 0.03 -0.24 -0.57 0.00 0.00 179.45 179.18 3hws h VAL 257 N -0.81 0.87 -0.16 0.50 3.04 -1.36 -0.62 116.25 117.72 3hws h VAL 257 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 3hws h VAL 257 Cb 0.63 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 3hws h VAL 257 CO 0.01 0.00 0.03 0.40 -1.01 0.00 0.00 177.57 177.00 3hws h ILE 258 N 0.00 1.22 -0.18 3.17 1.08 -1.36 -2.79 117.51 118.65 3hws h ILE 258 Ca 0.02 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 3hws h ILE 258 Cb 0.09 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3hws h ILE 258 CO -0.00 0.21 -0.11 -1.28 -0.69 0.00 0.00 178.15 176.28 3hws h SER 259 N 0.06 0.27 -0.09 1.72 0.87 -1.05 -1.50 113.55 113.82 3hws h SER 259 Ca 0.05 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3hws h SER 259 Cb 0.30 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3hws h SER 259 CO 0.00 0.41 -0.33 0.45 -0.53 0.00 0.00 176.83 176.83 3hws h HIS 260 N 0.27 0.68 0.11 2.24 3.86 -1.17 -1.99 115.15 119.15 3hws h HIS 260 Ca 0.06 -0.17 -0.27 0.00 -1.16 0.00 0.00 60.37 58.82 3hws h HIS 260 Cb 0.36 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.69 3hws h HIS 260 CO 0.01 0.84 -1.18 0.00 0.86 0.00 0.00 177.93 178.46 3hws h ARG 261 N 0.50 0.35 -0.84 2.45 3.08 -1.20 -3.23 114.38 115.49 3hws h ARG 261 Ca 0.06 -0.52 -0.17 0.00 0.07 0.00 0.00 59.98 59.42 3hws h ARG 261 Cb 0.81 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.95 3hws h ARG 261 CO 0.07 1.22 0.21 1.33 -1.07 0.00 0.00 179.97 181.73 3hws n VAL 262 N -3.62 2.21 -0.97 2.04 0.24 -0.59 -4.60 118.33 113.03 3hws n VAL 262 Ca -0.09 -1.14 -0.12 0.00 -2.04 0.00 0.00 64.34 60.94 3hws n VAL 262 Cb 0.98 -0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 32.77 3hws n VAL 262 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hws n GLU 263 N -0.06 1.85 -4.40 7.34 1.02 -0.75 -4.82 120.64 120.81 3hws n GLU 263 Ca 0.30 -1.07 -0.27 0.00 -0.02 0.00 0.00 57.16 56.10 3hws n GLU 263 Cb 1.10 -1.79 -0.17 0.00 -0.02 0.00 0.00 31.44 30.57 3hws n GLU 263 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3hws s THR 264 N -0.02 1.26 -0.04 2.62 -1.32 -1.26 -5.09 115.64 111.79 3hws s THR 264 Ca 0.49 -0.51 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 3hws s THR 264 Cb 0.26 -1.17 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 3hws s THR 264 CO -0.04 0.39 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.74 3hws s GLY 265 N 1.00 1.03 0.00 6.08 0.00 -1.26 -5.23 107.32 108.94 3hws s GLY 265 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3hws s GLY 265 CO -0.01 -0.51 0.00 -1.14 0.00 0.00 0.00 173.10 171.45 3hws n SER 266 N 2.97 -2.27 0.00 1.64 3.41 -1.26 -5.32 113.62 112.79 3hws n SER 266 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3hws n SER 266 Cb 0.53 -1.74 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 3hws n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hws n ALA 281 N 1.00 0.00 -2.71 7.33 0.00 -1.26 -5.33 120.51 119.55 3hws n ALA 281 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3hws n ALA 281 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3hws n ALA 281 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hws n SER 282 N 0.00 -4.51 0.14 0.00 3.41 -1.26 -4.86 113.62 106.54 3hws n SER 282 Ca 0.00 -0.03 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 3hws n SER 282 Cb 0.00 -3.76 -0.16 0.00 -0.26 0.00 0.00 64.21 60.03 3hws n SER 282 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hws h GLU 283 N -0.40 0.51 -0.45 4.33 4.81 -2.01 -3.20 114.58 118.17 3hws h GLU 283 Ca -0.39 -0.87 0.00 0.00 -0.13 0.00 0.00 59.36 57.97 3hws h GLU 283 Cb 1.28 0.32 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 3hws h GLU 283 CO 0.45 1.42 0.29 0.78 -0.73 0.00 0.00 179.01 181.22 3hws h GLY 284 N 0.35 0.63 1.39 1.92 0.00 -1.95 -1.72 103.07 103.70 3hws h GLY 284 Ca -0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3hws h GLY 284 CO 0.27 0.24 0.30 -2.09 0.00 0.00 0.00 176.54 175.26 3hws h GLU 285 N 0.60 0.81 -0.29 4.80 4.22 -1.98 -2.98 114.58 119.77 3hws h GLU 285 Ca 0.16 -0.09 -0.16 0.00 0.08 0.00 0.00 59.36 59.35 3hws h GLU 285 Cb -0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3hws h GLU 285 CO -0.03 0.61 -0.44 -0.07 -2.18 0.00 0.00 179.01 176.89 3hws h LEU 286 N 0.81 0.89 -1.19 1.64 -0.00 -1.43 -3.13 115.31 112.90 3hws h LEU 286 Ca 0.21 -0.51 -0.00 0.00 -0.00 0.00 0.00 57.88 57.57 3hws h LEU 286 Cb 0.05 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.41 3hws h LEU 286 CO -0.03 1.23 0.46 -0.07 -0.00 0.00 0.00 178.44 180.03 3hws h LEU 287 N 0.58 0.89 -1.43 1.67 3.38 -1.18 -2.28 115.31 116.94 3hws h LEU 287 Ca 0.03 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hws h LEU 287 Cb 1.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3hws h LEU 287 CO 0.10 0.68 0.41 0.00 0.09 0.00 0.00 178.44 179.71 3hws h ALA 288 N 1.48 1.62 0.00 1.53 0.00 -1.47 -0.65 119.26 121.77 3hws h ALA 288 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hws h ALA 288 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hws h ALA 288 CO -0.05 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3hws n GLN 289 N -4.46 0.90 -1.79 0.00 1.13 -0.86 -4.88 117.38 107.42 3hws n GLN 289 Ca 0.07 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 3hws n GLN 289 Cb 0.09 -1.38 -0.00 0.00 0.11 0.00 0.00 30.24 29.06 3hws n GLN 289 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hws s VAL 290 N -2.00 2.03 0.10 5.09 0.11 -0.25 -5.02 120.40 120.46 3hws s VAL 290 Ca 0.33 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 3hws s VAL 290 Cb 0.15 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 3hws s VAL 290 CO 0.25 0.01 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.33 3hws s GLU 291 N -1.82 0.86 0.41 1.54 0.41 -1.26 -5.04 118.70 113.79 3hws s GLU 291 Ca 0.55 -1.25 0.15 0.00 -0.41 0.00 0.00 54.97 54.01 3hws s GLU 291 Cb -0.47 -0.41 1.03 0.00 -1.78 0.00 0.00 34.13 32.50 3hws s GLU 291 CO 0.61 0.04 1.87 -1.35 -0.49 0.00 0.00 175.26 175.94 3hws h PRO 292 N 3.25 0.45 -0.20 0.39 0.11 -1.99 -0.72 132.00 133.29 3hws h PRO 292 Ca -0.36 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3hws h PRO 292 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hws h PRO 292 CO 0.59 0.30 -0.17 0.93 -0.21 0.00 0.00 178.00 179.43 3hws h GLU 293 N 0.46 0.35 -0.04 1.05 3.07 -1.99 -1.66 114.58 115.81 3hws h GLU 293 Ca 0.44 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 59.09 3hws h GLU 293 Cb 1.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3hws h GLU 293 CO -0.17 0.52 -0.50 -0.44 -1.40 0.00 0.00 179.01 177.02 3hws h ASP 294 N 0.32 0.12 0.66 1.42 3.32 -1.52 -1.84 116.42 118.91 3hws h ASP 294 Ca 0.06 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3hws h ASP 294 Cb 0.50 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3hws h ASP 294 CO 0.03 0.60 -0.68 -0.07 -1.72 0.00 0.00 179.24 177.40 3hws h LEU 295 N 0.09 0.02 -0.18 1.55 4.07 -1.25 -2.26 115.31 117.35 3hws h LEU 295 Ca 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3hws h LEU 295 Cb 0.92 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 3hws h LEU 295 CO 0.07 0.69 0.04 0.40 -1.08 0.00 0.00 178.44 178.57 3hws h ILE 296 N 0.01 1.21 0.00 1.22 1.08 -0.83 -1.34 117.51 118.86 3hws h ILE 296 Ca -0.01 -0.65 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 3hws h ILE 296 Cb 1.21 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.25 3hws h ILE 296 CO 0.09 0.20 -0.16 0.11 -0.69 0.00 0.00 178.15 177.70 3hws h LYS 297 N 0.10 0.00 -0.05 2.37 1.57 -1.31 -1.07 116.57 118.17 3hws h LYS 297 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3hws h LYS 297 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hws h LYS 297 CO 0.00 0.16 -0.31 0.35 -0.57 0.00 0.00 179.45 179.08 3hws h PHE 298 N 0.00 0.10 0.00 -1.35 3.57 -1.03 -3.46 116.94 114.76 3hws h PHE 298 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3hws h PHE 298 Cb 0.30 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3hws h PHE 298 CO 0.00 0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.88 3hws n GLY 299 N -0.55 0.04 3.71 2.40 0.00 -0.41 -4.42 105.19 105.95 3hws n GLY 299 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3hws n GLY 299 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hws s LEU 300 N 0.00 4.34 0.39 0.99 1.02 -0.55 -4.58 118.68 120.30 3hws s LEU 300 Ca 0.00 1.73 -0.27 0.00 0.02 0.00 0.00 54.13 55.61 3hws s LEU 300 Cb 0.00 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.55 3hws s LEU 300 CO 0.00 -0.36 1.35 0.27 0.02 0.00 0.00 176.35 177.64 3hws s ILE 301 N 1.26 2.45 0.45 -0.59 -4.36 -1.26 -3.98 121.20 115.17 3hws s ILE 301 Ca 0.53 0.42 0.18 0.00 -0.26 0.00 0.00 60.65 61.52 3hws s ILE 301 Cb -0.23 -3.26 0.37 0.00 1.25 0.00 0.00 42.46 40.59 3hws s ILE 301 CO 0.26 0.08 1.93 -0.65 0.24 0.00 0.00 174.94 176.80 3hws h PRO 302 N 2.80 0.32 0.04 0.37 0.11 -1.94 -1.11 132.00 132.59 3hws h PRO 302 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hws h PRO 302 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hws h PRO 302 CO 0.63 0.21 -0.02 1.49 -0.21 0.00 0.00 178.00 180.10 3hws h GLU 303 N 0.33 -0.05 -0.40 1.05 4.81 -2.00 -1.50 114.58 116.81 3hws h GLU 303 Ca 0.35 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3hws h GLU 303 Cb 0.91 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3hws h GLU 303 CO -0.10 -0.02 0.17 0.35 -0.73 0.00 0.00 179.01 178.68 3hws h PHE 304 N -0.08 0.60 -0.47 0.92 3.57 -1.59 -2.96 116.94 116.94 3hws h PHE 304 Ca -0.01 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 3hws h PHE 304 Cb 0.06 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3hws h PHE 304 CO -0.07 0.53 -0.02 0.82 -2.23 0.00 0.00 178.31 177.33 3hws h ILE 305 N 0.50 1.24 -0.49 1.41 2.04 -1.40 -2.63 117.51 118.19 3hws h ILE 305 Ca 0.13 -1.03 0.14 0.00 1.00 0.00 0.00 64.86 65.10 3hws h ILE 305 Cb 0.17 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3hws h ILE 305 CO -0.01 0.36 0.36 1.23 0.00 0.00 0.00 178.15 180.09 3hws h GLY 306 N 0.97 0.00 -1.31 5.37 0.00 -1.10 0.12 103.07 107.12 3hws h GLY 306 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3hws h GLY 306 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10 3hws n ARG 307 N -4.33 2.05 -3.22 4.80 1.74 -1.00 -4.31 116.66 112.38 3hws n ARG 307 Ca 0.09 -1.53 -0.30 0.00 -0.77 0.00 0.00 57.85 55.35 3hws n ARG 307 Cb 0.58 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 3hws n ARG 307 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hws n LEU 308 N 0.83 4.44 -0.17 0.55 4.32 0.42 -4.09 117.00 123.30 3hws n LEU 308 Ca 0.17 -5.47 -0.08 0.00 -0.02 0.00 0.00 56.01 50.60 3hws n LEU 308 Cb 0.49 -0.74 0.01 0.00 -1.62 0.00 0.00 43.42 41.55 3hws n LEU 308 CO 0.16 2.08 0.96 1.55 -1.22 0.00 0.00 177.39 180.92 3hws h PRO 309 N 4.06 0.72 -6.32 3.23 0.13 -1.70 -3.43 132.00 128.69 3hws h PRO 309 Ca 0.20 -0.12 -0.55 0.00 -0.87 0.00 0.00 66.00 64.66 3hws h PRO 309 Cb 0.60 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 3hws h PRO 309 CO 0.91 0.63 0.57 0.08 -0.23 0.00 0.00 178.00 179.96 3hws s VAL 310 N -5.61 4.58 -0.17 1.56 1.01 -1.18 -5.00 120.40 115.60 3hws s VAL 310 Ca -0.13 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.71 3hws s VAL 310 Cb 0.11 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3hws s VAL 310 CO 0.77 0.04 -0.09 -0.69 0.00 0.00 0.00 175.10 175.13 3hws s VAL 311 N 1.81 1.36 -0.09 2.92 1.01 -1.26 -0.61 120.40 125.54 3hws s VAL 311 Ca 0.52 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3hws s VAL 311 Cb -0.22 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3hws s VAL 311 CO 0.22 0.23 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 3hws s ALA 312 N 1.54 2.74 -0.08 5.51 0.00 -0.48 -4.98 121.76 126.01 3hws s ALA 312 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3hws s ALA 312 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3hws s ALA 312 CO -0.08 0.43 -0.15 0.95 0.00 0.00 0.00 175.76 176.91 3hws s THR 313 N -0.29 2.98 -0.04 0.00 -4.23 -1.26 -0.71 115.64 112.08 3hws s THR 313 Ca 0.03 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3hws s THR 313 Cb -0.13 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3hws s THR 313 CO 0.03 0.56 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.84 3hws s LEU 314 N -0.28 3.17 0.61 4.79 1.02 -0.30 -4.34 118.68 123.36 3hws s LEU 314 Ca 0.02 -0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.02 3hws s LEU 314 Cb -0.13 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 3hws s LEU 314 CO 0.03 0.34 0.96 0.20 0.02 0.00 0.00 176.35 177.89 3hws s ASN 315 N -1.02 5.85 -0.18 2.29 -0.87 -1.26 -4.35 114.94 115.40 3hws s ASN 315 Ca 0.14 1.04 -0.29 0.00 -1.57 0.00 0.00 52.86 52.18 3hws s ASN 315 Cb -0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 3hws s ASN 315 CO 0.03 -0.99 1.04 -0.70 -2.57 0.00 0.00 177.10 173.92 3hws s GLU 316 N -5.09 4.31 -0.08 -0.60 2.12 -1.26 -4.76 118.70 113.35 3hws s GLU 316 Ca 0.54 1.39 -0.36 0.00 0.36 0.00 0.00 54.97 56.90 3hws s GLU 316 Cb -0.11 -3.61 -0.13 0.00 0.26 0.00 0.00 34.13 30.54 3hws s GLU 316 CO 0.49 -0.53 1.77 1.28 -0.54 0.00 0.00 175.26 177.73 3hws n LEU 317 N 5.89 3.03 -4.85 2.70 4.77 -1.26 -4.97 117.00 122.31 3hws n LEU 317 Ca 0.11 1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 3hws n LEU 317 Cb 0.47 -1.32 0.19 0.00 -2.33 0.00 0.00 43.42 40.43 3hws n LEU 317 CO 0.52 -0.24 0.81 -0.94 -1.33 0.00 0.00 177.39 176.21 3hws s SER 318 N 3.22 2.79 0.10 -1.43 1.04 -1.26 -4.85 113.70 113.30 3hws s SER 318 Ca 0.91 0.41 -0.27 0.00 0.48 0.00 0.00 55.95 57.49 3hws s SER 318 Cb -0.79 -0.55 -0.12 0.00 0.10 0.00 0.00 66.02 64.66 3hws s SER 318 CO 0.52 -2.95 1.66 -0.08 0.98 0.00 0.00 173.24 173.38 3hws h GLU 319 N -1.79 -0.42 -0.00 4.02 4.81 -1.95 -2.15 114.58 117.10 3hws h GLU 319 Ca -0.45 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3hws h GLU 319 Cb 1.26 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 3hws h GLU 319 CO 0.40 -0.28 -0.10 0.93 -0.73 0.00 0.00 179.01 179.23 3hws h GLU 320 N -0.44 0.01 0.00 1.92 3.07 -1.99 -2.47 114.58 114.67 3hws h GLU 320 Ca -0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hws h GLU 320 Cb 0.41 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3hws h GLU 320 CO -0.05 0.11 -0.00 0.00 -1.40 0.00 0.00 179.01 177.67 3hws h ALA 321 N 1.90 -0.00 -0.59 3.43 0.00 -1.76 -1.49 119.26 120.75 3hws h ALA 321 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hws h ALA 321 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hws h ALA 321 CO 0.01 -0.49 0.30 -0.07 0.00 0.00 0.00 179.25 179.00 3hws h LEU 322 N -0.03 0.76 -0.61 0.00 4.07 -1.09 -1.11 115.31 117.31 3hws h LEU 322 Ca -0.00 -0.12 0.10 0.00 0.08 0.00 0.00 57.88 57.94 3hws h LEU 322 Cb 0.03 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.50 3hws h LEU 322 CO 0.00 0.67 0.21 0.40 -1.08 0.00 0.00 178.44 178.64 3hws h ILE 323 N 0.80 0.75 -0.30 1.22 2.04 -1.22 -0.57 117.51 120.24 3hws h ILE 323 Ca 0.20 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 3hws h ILE 323 Cb 0.10 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hws h ILE 323 CO -0.03 0.07 -0.22 1.56 0.00 0.00 0.00 178.15 179.53 3hws h GLN 324 N 0.38 0.57 0.00 2.37 1.08 -0.91 -2.16 115.11 116.44 3hws h GLN 324 Ca 0.31 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 3hws h GLN 324 Cb 0.39 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3hws h GLN 324 CO -0.32 0.75 -0.12 0.82 -0.95 0.00 0.00 178.83 179.00 3hws h ILE 325 N 0.50 0.87 0.00 2.54 2.04 0.11 0.39 117.51 123.96 3hws h ILE 325 Ca 0.08 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3hws h ILE 325 Cb 0.66 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3hws h ILE 325 CO 0.05 0.12 -0.49 -0.07 0.00 0.00 0.00 178.15 177.76 3hws h LEU 326 N 0.00 0.00 0.00 1.44 3.38 -0.48 -3.40 115.31 116.25 3hws h LEU 326 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hws h LEU 326 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hws h LEU 326 CO 0.02 0.49 -1.09 0.29 0.09 0.00 0.00 178.44 178.23 3hws n LYS 327 N -3.52 0.04 0.29 1.13 5.02 -0.92 -2.71 118.16 117.48 3hws n LYS 327 Ca -0.00 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 3hws n LYS 327 Cb 0.60 -0.70 -0.08 0.00 -0.02 0.00 0.00 35.03 34.83 3hws n LYS 327 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hws h GLU 328 N -0.04 -0.71 -6.57 1.97 5.08 -0.46 -3.44 114.58 110.42 3hws h GLU 328 Ca -0.04 0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.79 3hws h GLU 328 Cb 1.04 0.16 0.17 0.00 0.50 0.00 0.00 28.75 30.62 3hws h GLU 328 CO -0.02 -0.40 -0.30 -2.30 -1.00 0.00 0.00 179.01 174.99 3hws n PRO 329 N -5.32 0.56 0.02 2.33 -0.02 -1.26 -4.83 135.00 126.48 3hws n PRO 329 Ca -0.11 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3hws n PRO 329 Cb 0.33 -1.79 0.51 0.00 -0.02 0.00 0.00 33.50 32.53 3hws n PRO 329 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hws h LYS 330 N 0.24 0.35 -0.94 -0.52 1.57 -1.84 -1.91 116.57 113.52 3hws h LYS 330 Ca -0.46 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 57.71 3hws h LYS 330 Cb 1.39 -0.08 -0.39 0.00 0.08 0.00 0.00 32.23 33.23 3hws h LYS 330 CO 0.47 0.23 -0.36 0.09 -0.57 0.00 0.00 179.45 179.32 3hws n ASN 331 N -4.48 5.62 -4.74 0.86 3.02 -1.26 -4.94 115.26 109.34 3hws n ASN 331 Ca 0.05 -3.76 -0.36 0.00 -0.03 0.00 0.00 54.58 50.47 3hws n ASN 331 Cb 0.20 -0.52 0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3hws n ASN 331 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hws s ALA 332 N -3.66 2.44 0.14 5.41 0.00 -0.72 -4.77 121.76 120.60 3hws s ALA 332 Ca 0.54 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 3hws s ALA 332 Cb 0.43 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 3hws s ALA 332 CO -0.01 -1.43 1.60 -0.07 0.00 0.00 0.00 175.76 175.84 3hws h LEU 333 N 0.66 -1.11 -0.62 0.00 3.38 -1.77 -0.54 115.31 115.30 3hws h LEU 333 Ca -0.51 0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.75 3hws h LEU 333 Cb 1.32 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 42.46 3hws h LEU 333 CO 0.54 -0.37 0.15 0.71 0.09 0.00 0.00 178.44 179.56 3hws h THR 334 N -0.38 0.63 -0.57 0.22 1.35 -1.87 0.30 112.91 112.59 3hws h THR 334 Ca 0.11 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.90 3hws h THR 334 Cb 0.56 0.33 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 3hws h THR 334 CO -0.42 0.05 0.35 0.11 -0.25 0.00 0.00 175.52 175.36 3hws h LYS 335 N 0.28 0.67 -0.28 4.72 1.57 -1.55 0.71 116.57 122.70 3hws h LYS 335 Ca 0.33 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hws h LYS 335 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3hws h LYS 335 CO -0.41 0.45 0.17 1.96 -0.57 0.00 0.00 179.45 181.05 3hws h GLN 336 N 0.70 0.38 -0.16 3.15 4.20 0.53 -1.32 115.11 122.58 3hws h GLN 336 Ca 0.23 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 3hws h GLN 336 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hws h GLN 336 CO -0.09 0.29 -0.51 1.88 -0.67 0.00 0.00 178.83 179.73 3hws h TYR 337 N 0.35 0.56 -0.87 2.96 -1.99 -0.83 -1.94 116.97 115.21 3hws h TYR 337 Ca 0.10 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 3hws h TYR 337 Cb 0.01 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 3hws h TYR 337 CO -0.04 0.87 0.54 1.96 -0.00 0.00 0.00 178.16 181.48 3hws h GLN 338 N 0.36 1.17 -0.57 4.88 4.20 -0.60 0.26 115.11 124.81 3hws h GLN 338 Ca 0.01 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3hws h GLN 338 Cb 1.01 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3hws h GLN 338 CO 0.09 0.81 -0.03 0.00 -0.67 0.00 0.00 178.83 179.03 3hws h ALA 339 N 1.40 0.77 -0.30 3.87 0.00 -0.99 -0.92 119.26 123.09 3hws h ALA 339 Ca 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hws h ALA 339 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hws h ALA 339 CO -0.06 0.62 0.17 1.25 0.00 0.00 0.00 179.25 181.23 3hws h LEU 340 N 0.90 0.37 -1.40 0.00 5.85 -0.61 -2.24 115.31 118.19 3hws h LEU 340 Ca 0.16 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3hws h LEU 340 Cb 0.58 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3hws h LEU 340 CO 0.03 0.35 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.96 3hws h PHE 341 N 0.37 0.00 -0.36 1.25 -1.00 -0.88 -2.88 116.94 113.43 3hws h PHE 341 Ca 0.11 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 3hws h PHE 341 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3hws h PHE 341 CO -0.03 0.26 0.01 -0.91 -1.61 0.00 0.00 178.31 176.03 3hws h ASN 342 N 0.00 0.53 0.43 2.17 4.21 -0.55 -1.76 115.58 120.62 3hws h ASN 342 Ca -0.00 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 3hws h ASN 342 Cb 0.61 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 3hws h ASN 342 CO 0.03 0.60 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.67 3hws h LEU 343 N 0.54 0.00 -0.80 1.61 3.38 -1.29 0.17 115.31 118.92 3hws h LEU 343 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hws h LEU 343 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hws h LEU 343 CO 0.01 0.04 -0.06 -0.62 0.09 0.00 0.00 178.44 177.90 3hws n GLU 344 N -3.26 1.44 -1.00 1.13 -0.58 -0.74 -4.90 120.64 112.72 3hws n GLU 344 Ca -0.02 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 3hws n GLU 344 Cb 0.19 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hws n GLU 344 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hws n GLY 345 N 1.20 0.64 3.90 0.62 0.00 0.60 -4.97 105.19 107.18 3hws n GLY 345 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hws n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hws s VAL 346 N -2.57 5.27 -0.21 1.61 1.01 -0.75 -4.85 120.40 119.91 3hws s VAL 346 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3hws s VAL 346 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3hws s VAL 346 CO 0.00 0.17 0.07 -1.81 0.00 0.00 0.00 175.10 173.53 3hws s ASP 347 N -2.40 5.42 -0.21 3.32 1.01 -0.81 -2.94 116.67 120.07 3hws s ASP 347 Ca 0.33 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.44 3hws s ASP 347 Cb -0.13 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 3hws s ASP 347 CO 0.26 0.07 0.12 -0.22 0.21 0.00 0.00 175.17 175.62 3hws s LEU 348 N 0.97 4.11 -0.06 1.23 2.96 -1.26 -0.09 118.68 126.54 3hws s LEU 348 Ca 0.04 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3hws s LEU 348 Cb -0.14 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.50 3hws s LEU 348 CO 0.03 0.15 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.41 3hws s GLU 349 N 0.56 1.44 -0.27 1.98 2.12 -0.30 -4.85 118.70 119.38 3hws s GLU 349 Ca 0.07 -0.32 -0.09 0.00 0.36 0.00 0.00 54.97 54.99 3hws s GLU 349 Cb -0.12 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 3hws s GLU 349 CO 0.00 -0.01 0.14 -0.06 -0.54 0.00 0.00 175.26 174.79 3hws s PHE 350 N 0.76 3.16 0.40 5.30 0.40 -1.26 -0.61 117.98 126.13 3hws s PHE 350 Ca -0.13 -0.22 -0.26 0.00 -0.60 0.00 0.00 56.93 55.72 3hws s PHE 350 Cb -0.15 -2.32 -0.09 0.00 0.51 0.00 0.00 43.02 40.97 3hws s PHE 350 CO 0.02 -0.29 1.24 0.50 0.70 0.00 0.00 175.22 177.39 3hws s ARG 351 N 1.68 4.02 0.28 0.44 6.06 -0.58 -4.87 118.95 125.98 3hws s ARG 351 Ca 0.06 2.01 0.02 0.00 -2.50 0.00 0.00 55.73 55.33 3hws s ARG 351 Cb -0.16 -2.73 0.65 0.00 0.06 0.00 0.00 34.95 32.76 3hws s ARG 351 CO 0.07 -0.40 1.75 -0.44 -2.50 0.00 0.00 175.30 173.78 3hws h ASP 352 N 2.69 0.55 0.19 -2.12 3.32 -1.98 0.32 116.42 119.39 3hws h ASP 352 Ca -0.49 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 3hws h ASP 352 Cb 1.24 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 3hws h ASP 352 CO 0.63 0.17 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.88 3hws h GLU 353 N 0.60 0.00 -0.08 3.56 3.07 -1.94 -1.11 114.58 118.68 3hws h GLU 353 Ca 0.52 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.27 3hws h GLU 353 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3hws h GLU 353 CO -0.41 0.11 -0.37 0.00 -1.40 0.00 0.00 179.01 176.93 3hws h ALA 354 N 1.89 0.16 -0.58 3.43 0.00 -0.65 -1.42 119.26 122.09 3hws h ALA 354 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hws h ALA 354 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hws h ALA 354 CO 0.01 0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.79 3hws h LEU 355 N -0.06 0.70 -0.83 0.00 3.38 -0.87 -0.75 115.31 116.88 3hws h LEU 355 Ca -0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hws h LEU 355 Cb 1.02 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3hws h LEU 355 CO 0.08 0.56 0.53 -0.78 0.09 0.00 0.00 178.44 178.92 3hws h ASP 356 N 0.79 0.89 -0.31 -0.43 3.58 -1.25 -2.00 116.42 117.69 3hws h ASP 356 Ca 0.21 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3hws h ASP 356 Cb -0.01 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 3hws h ASP 356 CO -0.04 0.62 0.13 0.00 -2.88 0.00 0.00 179.24 177.07 3hws h ALA 357 N 1.34 1.54 -0.10 -0.78 0.00 -0.33 -2.23 119.26 118.71 3hws h ALA 357 Ca 0.33 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hws h ALA 357 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hws h ALA 357 CO -0.11 0.35 -0.33 0.82 0.00 0.00 0.00 179.25 179.98 3hws h ILE 358 N 0.52 1.40 -0.25 0.00 2.04 -0.59 -2.98 117.51 117.65 3hws h ILE 358 Ca 0.13 -1.68 0.05 0.00 1.00 0.00 0.00 64.86 64.36 3hws h ILE 358 Cb 0.13 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3hws h ILE 358 CO -0.01 0.49 -0.03 0.00 0.00 0.00 0.00 178.15 178.60 3hws h ALA 359 N 0.47 0.19 -0.61 1.87 0.00 -1.12 -1.43 119.26 118.63 3hws h ALA 359 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3hws h ALA 359 Cb 0.96 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3hws h ALA 359 CO 0.07 -0.45 0.24 0.87 0.00 0.00 0.00 179.25 179.99 3hws h LYS 360 N 0.04 0.43 -0.45 0.00 1.57 -1.46 -0.42 116.57 116.27 3hws h LYS 360 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3hws h LYS 360 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hws h LYS 360 CO -0.23 0.28 0.15 -0.22 -0.57 0.00 0.00 179.45 178.86 3hws h LYS 361 N 0.44 0.66 -0.07 3.15 3.64 -1.26 -2.05 116.57 121.08 3hws h LYS 361 Ca 0.30 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3hws h LYS 361 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3hws h LYS 361 CO -0.29 0.57 -0.59 0.00 -2.27 0.00 0.00 179.45 176.88 3hws h ALA 362 N 1.52 0.87 -0.26 5.00 0.00 -0.07 -2.72 119.26 123.60 3hws h ALA 362 Ca 0.15 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3hws h ALA 362 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hws h ALA 362 CO -0.01 0.72 -0.53 0.52 0.00 0.00 0.00 179.25 179.95 3hws h MET 363 N 0.18 0.75 -0.78 0.00 2.86 -0.73 -2.29 114.93 114.93 3hws h MET 363 Ca -0.00 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 3hws h MET 363 Cb 1.09 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 3hws h MET 363 CO 0.09 1.09 0.42 0.00 1.06 0.00 0.00 176.91 179.58 3hws h ALA 364 N 0.82 1.28 0.00 6.32 0.00 -1.29 -1.58 119.26 124.81 3hws h ALA 364 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hws h ALA 364 Cb 1.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hws h ALA 364 CO 0.11 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3hws h ARG 365 N 1.08 0.00 -0.69 0.00 3.08 -1.38 -3.46 114.38 113.01 3hws h ARG 365 Ca 0.27 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.03 3hws h ARG 365 Cb 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.96 3hws h ARG 365 CO -0.04 0.00 -0.27 0.36 -1.07 0.00 0.00 179.97 178.95 3hws n LYS 366 N -2.95 -1.39 0.19 0.04 -0.00 -0.60 -4.85 118.16 108.61 3hws n LYS 366 Ca 0.03 0.99 0.08 0.00 -0.00 0.00 0.00 58.31 59.41 3hws n LYS 366 Cb 0.40 -5.29 0.22 0.00 -0.00 0.00 0.00 35.03 30.37 3hws n LYS 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hws h THR 367 N 0.00 0.53 0.00 0.58 1.03 -1.83 -3.49 112.91 109.74 3hws h THR 367 Ca -0.29 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.58 3hws h THR 367 Cb 1.13 2.08 0.00 0.00 -1.07 0.00 0.00 68.15 70.30 3hws h THR 367 CO 0.43 0.27 0.00 0.61 -0.01 0.00 0.00 175.52 176.83 3hws n GLY 368 N 0.81 -0.01 0.14 2.99 0.00 -1.25 -4.14 105.19 103.72 3hws n GLY 368 Ca 0.02 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3hws n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hws h ALA 369 N 0.00 0.54 0.00 4.61 0.00 -1.80 -3.20 119.26 119.40 3hws h ALA 369 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3hws h ALA 369 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hws h ALA 369 CO 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 179.25 180.07 3hws h ARG 370 N 0.15 0.00 -0.03 0.00 2.47 -1.85 -1.34 114.38 113.79 3hws h ARG 370 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3hws h ARG 370 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 3hws h ARG 370 CO 0.13 0.04 0.00 0.41 0.56 0.00 0.00 179.97 181.12 3hws n GLY 371 N -0.50 -0.43 0.16 0.04 0.00 -1.21 -3.95 105.19 99.30 3hws n GLY 371 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 3hws n GLY 371 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hws h LEU 372 N 1.24 0.53 -0.13 0.99 3.38 -1.38 -3.18 115.31 116.76 3hws h LEU 372 Ca 0.00 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.47 3hws h LEU 372 Cb 0.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hws h LEU 372 CO 0.00 0.94 0.01 -0.09 0.09 0.00 0.00 178.44 179.39 3hws h ARG 373 N 0.13 0.05 -0.75 1.13 2.43 -1.75 -1.75 114.38 113.87 3hws h ARG 373 Ca 0.02 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 3hws h ARG 373 Cb 0.82 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 3hws h ARG 373 CO 0.06 0.03 0.50 0.66 -1.51 0.00 0.00 179.97 179.71 3hws h SER 374 N 0.05 0.47 -0.07 -3.80 4.64 -1.78 0.31 113.55 113.38 3hws h SER 374 Ca 0.06 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 3hws h SER 374 Cb 0.06 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3hws h SER 374 CO -0.09 0.26 -0.60 0.40 -0.87 0.00 0.00 176.83 175.93 3hws h ILE 375 N 0.51 1.37 -0.20 0.95 2.04 -1.37 -2.80 117.51 118.01 3hws h ILE 375 Ca 0.36 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 3hws h ILE 375 Cb 0.69 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3hws h ILE 375 CO -0.13 0.58 -0.13 0.58 0.00 0.00 0.00 178.15 179.06 3hws h VAL 376 N 0.11 1.32 -0.97 1.67 2.07 -0.75 -2.72 116.25 116.98 3hws h VAL 376 Ca -0.06 -1.24 0.19 0.00 0.82 0.00 0.00 66.70 66.42 3hws h VAL 376 Cb 1.26 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.64 3hws h VAL 376 CO 0.12 0.37 0.61 -0.08 0.02 0.00 0.00 177.57 178.62 3hws h GLU 377 N 0.12 0.63 -0.01 1.57 4.57 -0.45 -1.39 114.58 119.63 3hws h GLU 377 Ca 0.04 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 3hws h GLU 377 Cb 0.64 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3hws h GLU 377 CO 0.04 0.42 -0.93 0.00 -1.18 0.00 0.00 179.01 177.36 3hws h ALA 378 N 1.62 0.38 0.00 2.92 0.00 -1.41 -1.93 119.26 120.85 3hws h ALA 378 Ca 0.54 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3hws h ALA 378 Cb 0.99 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hws h ALA 378 CO -0.30 0.82 -0.31 0.00 0.00 0.00 0.00 179.25 179.46 3hws h ALA 379 N 0.76 1.14 -0.24 0.00 0.00 -0.96 -3.05 119.26 116.91 3hws h ALA 379 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hws h ALA 379 Cb 1.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hws h ALA 379 CO 0.16 0.39 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3hws n LEU 380 N -3.66 2.67 0.51 0.00 4.77 -0.81 -4.71 117.00 115.78 3hws n LEU 380 Ca -0.01 -1.54 -0.21 0.00 -0.03 0.00 0.00 56.01 54.23 3hws n LEU 380 Cb 0.42 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3hws n LEU 380 CO 0.35 0.60 0.54 0.25 -1.33 0.00 0.00 177.39 177.80 3hws h LEU 381 N 2.55 -1.17 -0.48 2.23 7.12 -1.23 -0.53 115.31 123.80 3hws h LEU 381 Ca 0.00 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.13 3hws h LEU 381 Cb 0.68 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 41.06 3hws h LEU 381 CO 0.00 -0.81 0.12 0.44 -0.13 0.00 0.00 178.44 178.06 3hws h ASP 382 N -1.32 0.05 0.17 1.25 3.32 -1.84 -2.01 116.42 116.04 3hws h ASP 382 Ca -0.13 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3hws h ASP 382 Cb 1.03 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hws h ASP 382 CO 0.20 0.06 -0.08 0.74 -1.72 0.00 0.00 179.24 178.43 3hws h THR 383 N 0.26 0.85 0.00 0.35 2.02 -1.84 -1.99 112.91 112.56 3hws h THR 383 Ca 0.24 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3hws h THR 383 Cb 0.30 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3hws h THR 383 CO -0.29 0.02 -0.00 0.24 0.37 0.00 0.00 175.52 175.85 3hws h MET 384 N -0.27 0.00 -0.01 6.66 2.86 -0.82 0.17 114.93 123.53 3hws h MET 384 Ca -0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3hws h MET 384 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hws h MET 384 CO 0.04 0.00 -0.16 -0.92 1.06 0.00 0.00 176.91 176.93 3hws h TYR 385 N 0.00 0.17 -0.33 -0.22 3.20 -0.62 -3.36 116.97 115.81 3hws h TYR 385 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hws h TYR 385 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3hws h TYR 385 CO 0.00 0.86 0.00 -0.40 -1.64 0.00 0.00 178.16 176.98 3hws n ASP 386 N -4.59 3.04 -0.13 -2.11 5.68 -0.98 -4.50 116.55 112.95 3hws n ASP 386 Ca -0.09 -1.89 -0.11 0.00 -0.50 0.00 0.00 54.79 52.20 3hws n ASP 386 Cb 0.45 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 3hws n ASP 386 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3hws h LEU 387 N 3.22 0.69 -1.70 -2.12 5.85 -0.81 -2.87 115.31 117.56 3hws h LEU 387 Ca 0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hws h LEU 387 Cb 0.80 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hws h LEU 387 CO 0.00 0.84 0.00 -0.65 -0.34 0.00 0.00 178.44 178.29 3hws h PRO 388 N 0.51 0.00 0.00 5.25 0.11 -1.79 -2.14 132.00 133.94 3hws h PRO 388 Ca 0.11 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 3hws h PRO 388 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 3hws h PRO 388 CO 0.02 0.00 -1.24 0.77 -0.21 0.00 0.00 178.00 177.34 3hws h SER 389 N 0.00 0.00 -2.70 -2.05 0.02 -1.81 -3.47 113.55 103.55 3hws h SER 389 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3hws h SER 389 Cb 0.10 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.50 3hws h SER 389 CO 0.00 0.86 -0.72 0.00 -1.14 0.00 0.00 176.83 175.83 3hws s MET 390 N -2.74 2.02 -0.35 3.45 0.23 -0.80 -5.11 119.30 115.98 3hws s MET 390 Ca -0.01 -1.40 -0.02 0.00 -1.03 0.00 0.00 55.69 53.23 3hws s MET 390 Cb 0.09 -2.07 0.08 0.00 -1.53 0.00 0.00 34.83 31.40 3hws s MET 390 CO 0.81 0.40 0.10 -1.83 -2.03 0.00 0.00 175.02 172.47 3hws s GLU 391 N -3.13 2.11 0.29 3.16 1.03 -1.26 -4.87 118.70 116.03 3hws s GLU 391 Ca 0.27 -1.60 0.12 0.00 0.03 0.00 0.00 54.97 53.79 3hws s GLU 391 Cb -0.08 -3.37 -0.05 0.00 -0.80 0.00 0.00 34.13 29.84 3hws s GLU 391 CO 0.16 -0.87 -0.18 -0.51 -1.33 0.00 0.00 175.26 172.53 3hws s ASP 392 N 1.47 3.61 -0.13 0.83 1.01 -1.26 -4.69 116.67 117.50 3hws s ASP 392 Ca 0.03 -1.05 -0.27 0.00 0.71 0.00 0.00 52.55 51.96 3hws s ASP 392 Cb -0.21 -0.31 -0.26 0.00 1.01 0.00 0.00 42.92 43.15 3hws s ASP 392 CO -0.03 0.00 0.74 0.58 0.21 0.00 0.00 175.17 176.67 3hws h VAL 393 N 2.23 1.68 -3.47 -1.27 2.07 -0.58 -3.41 116.25 113.51 3hws h VAL 393 Ca -0.40 -2.36 -0.12 0.00 0.82 0.00 0.00 66.70 64.64 3hws h VAL 393 Cb 1.26 3.27 -0.19 0.00 -1.52 0.00 0.00 31.29 34.12 3hws h VAL 393 CO 0.62 0.60 -0.40 -0.70 0.02 0.00 0.00 177.57 177.71 3hws s GLU 394 N -2.26 0.64 -0.06 1.57 2.12 -1.02 -1.92 118.70 117.77 3hws s GLU 394 Ca -0.19 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.68 3hws s GLU 394 Cb -0.02 0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.63 3hws s GLU 394 CO 0.70 -0.18 -0.22 -1.59 -0.54 0.00 0.00 175.26 173.44 3hws s LYS 395 N -2.08 2.34 -0.16 4.30 0.00 0.87 -1.23 119.74 123.79 3hws s LYS 395 Ca -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 55.97 55.12 3hws s LYS 395 Cb -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 37.83 35.86 3hws s LYS 395 CO -0.01 0.28 -0.20 0.08 0.00 0.00 0.00 175.35 175.50 3hws s VAL 396 N 0.04 2.22 -0.29 1.79 1.01 -0.71 -1.15 120.40 123.33 3hws s VAL 396 Ca -0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 3hws s VAL 396 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3hws s VAL 396 CO 0.04 0.54 0.18 -0.69 0.00 0.00 0.00 175.10 175.17 3hws s VAL 397 N 0.97 5.17 0.39 2.92 1.01 0.22 -2.31 120.40 128.77 3hws s VAL 397 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3hws s VAL 397 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hws s VAL 397 CO -0.05 0.21 0.36 0.27 0.00 0.00 0.00 175.10 175.89 3hws s ILE 398 N 1.73 2.94 0.49 2.22 -5.25 -1.26 -1.52 121.20 120.55 3hws s ILE 398 Ca 0.07 -1.34 0.15 0.00 -0.99 0.00 0.00 60.65 58.54 3hws s ILE 398 Cb -0.16 -3.05 0.24 0.00 2.95 0.00 0.00 42.46 42.44 3hws s ILE 398 CO 0.10 -0.05 2.10 -2.24 -1.79 0.00 0.00 174.94 173.05 3hws h ASP 399 N 1.09 0.02 0.24 4.36 2.03 -1.88 -1.95 116.42 120.33 3hws h ASP 399 Ca -0.42 -0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.80 3hws h ASP 399 Cb 1.26 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 3hws h ASP 399 CO 0.57 0.07 -0.30 -0.33 -1.03 0.00 0.00 179.24 178.22 3hws h GLU 400 N 0.02 0.11 0.00 4.15 5.08 -1.95 -1.13 114.58 120.88 3hws h GLU 400 Ca 0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3hws h GLU 400 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hws h GLU 400 CO 0.01 0.41 -0.26 0.66 -1.00 0.00 0.00 179.01 178.83 3hws h SER 401 N 0.10 0.00 0.00 1.42 4.64 -1.52 -3.08 113.55 115.10 3hws h SER 401 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hws h SER 401 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hws h SER 401 CO 0.04 0.22 -0.02 0.58 -0.87 0.00 0.00 176.83 176.79 3hws h VAL 402 N 0.00 0.00 0.65 0.95 2.07 -1.24 -3.19 116.25 115.49 3hws h VAL 402 Ca -0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hws h VAL 402 Cb 1.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hws h VAL 402 CO 0.03 0.00 -0.39 0.16 0.02 0.00 0.00 177.57 177.39 3hws h ILE 403 N -0.07 0.00 -0.39 4.57 3.07 -1.42 -3.16 117.51 120.11 3hws h ILE 403 Ca 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.27 3hws h ILE 403 Cb 0.02 0.00 -0.01 0.00 -0.27 0.00 0.00 36.82 36.56 3hws h ILE 403 CO 0.00 0.00 -0.30 -0.78 -1.05 0.00 0.00 178.15 176.02 3hws h ASP 404 N -0.97 0.88 0.00 2.16 1.82 -1.74 -3.46 116.42 115.12 3hws h ASP 404 Ca -0.09 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3hws h ASP 404 Cb 0.77 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.54 3hws h ASP 404 CO 0.09 1.11 0.00 0.61 -1.61 0.00 0.00 179.24 179.45 3hws n GLY 405 N -0.06 0.20 0.15 -0.78 0.00 -1.17 -4.82 105.19 98.72 3hws n GLY 405 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3hws n GLY 405 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hws h GLN 406 N 0.51 0.54 -6.18 1.61 1.08 -1.81 -3.45 115.11 107.40 3hws h GLN 406 Ca 0.00 -0.79 -0.57 0.00 -1.45 0.00 0.00 58.65 55.85 3hws h GLN 406 Cb 0.46 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 28.12 3hws h GLN 406 CO 0.00 1.36 0.00 0.45 -0.95 0.00 0.00 178.83 179.69 3hws s SER 407 N -7.36 7.05 0.43 1.46 0.15 -1.25 -5.06 113.70 109.11 3hws s SER 407 Ca -0.10 1.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 3hws s SER 407 Cb 0.04 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.89 3hws s SER 407 CO 0.91 0.16 0.88 -1.61 1.20 0.00 0.00 173.24 174.78 3hws s GLU 408 N -0.55 3.99 0.49 5.44 8.01 -1.26 -4.20 118.70 130.62 3hws s GLU 408 Ca 0.31 0.83 -0.23 0.00 0.01 0.00 0.00 54.97 55.89 3hws s GLU 408 Cb -0.19 -2.26 -0.06 0.00 -4.31 0.00 0.00 34.13 27.30 3hws s GLU 408 CO 0.19 -0.07 1.25 -2.14 0.01 0.00 0.00 175.26 174.49 3hws s PRO 409 N -3.58 3.54 0.20 0.39 0.02 -1.26 -4.91 135.00 129.39 3hws s PRO 409 Ca 0.57 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 3hws s PRO 409 Cb -0.10 -2.38 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 3hws s PRO 409 CO 0.24 -0.79 1.48 -0.51 -0.33 0.00 0.00 177.00 177.09 3hws s LEU 410 N -3.17 4.38 -0.18 -5.54 1.43 -0.98 -4.86 118.68 109.76 3hws s LEU 410 Ca 0.66 2.60 -0.05 0.00 -1.03 0.00 0.00 54.13 56.31 3hws s LEU 410 Cb -0.34 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3hws s LEU 410 CO 0.41 -0.74 0.00 -0.76 0.23 0.00 0.00 176.35 175.49 3hws s LEU 411 N 0.44 3.37 -0.16 1.79 1.43 -1.26 -1.73 118.68 122.57 3hws s LEU 411 Ca 0.64 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3hws s LEU 411 Cb -0.42 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3hws s LEU 411 CO 0.37 0.12 -0.09 -0.63 0.23 0.00 0.00 176.35 176.34 3hws s ILE 412 N 0.67 3.30 0.42 -0.59 1.01 -0.36 -5.04 121.20 120.62 3hws s ILE 412 Ca -0.00 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.17 3hws s ILE 412 Cb -0.14 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 3hws s ILE 412 CO 0.02 0.50 0.49 -0.31 0.00 0.00 0.00 174.94 175.64 3hws s TYR 413 N 0.61 2.74 0.00 3.97 1.51 -1.26 0.12 117.35 125.03 3hws s TYR 413 Ca -0.06 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 3hws s TYR 413 Cb -0.15 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 3hws s TYR 413 CO 0.03 -0.31 0.44 0.41 -1.11 0.00 0.00 175.55 175.01