#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kws s LEU 49 N 0.00 4.38 0.30 0.64 2.96 -1.26 -5.00 118.68 120.70 3kws s LEU 49 Ca 0.00 2.07 -0.15 0.00 -0.22 0.00 0.00 54.13 55.83 3kws s LEU 49 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3kws s LEU 49 CO 0.00 -0.48 0.71 -1.83 -1.32 0.00 0.00 176.35 173.43 3kws s GLU 50 N 0.94 4.00 -0.31 1.98 -1.05 -1.26 -5.05 118.70 117.95 3kws s GLU 50 Ca 0.59 0.64 -0.21 0.00 -0.15 0.00 0.00 54.97 55.84 3kws s GLU 50 Cb -0.30 -2.50 -0.01 0.00 -0.44 0.00 0.00 34.13 30.88 3kws s GLU 50 CO 0.30 0.20 0.67 -1.17 0.95 0.00 0.00 175.26 176.20 3kws s LEU 51 N -2.87 4.14 -0.50 1.83 2.96 -1.26 -4.92 118.68 118.06 3kws s LEU 51 Ca 0.52 0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 54.77 3kws s LEU 51 Cb -0.11 -2.87 0.12 0.00 0.50 0.00 0.00 46.19 43.84 3kws s LEU 51 CO 0.18 -0.52 0.41 -0.54 -1.32 0.00 0.00 176.35 174.57 3kws s LYS 52 N 2.69 2.69 0.40 1.98 1.02 -1.26 -5.04 119.74 122.23 3kws s LYS 52 Ca 0.27 -1.75 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 3kws s LYS 52 Cb -0.15 -4.08 -0.09 0.00 -0.52 0.00 0.00 37.83 32.99 3kws s LYS 52 CO 0.12 -1.25 1.05 -0.51 -0.92 0.00 0.00 175.35 173.84 3kws s LEU 53 N 1.44 4.13 0.04 3.17 1.43 -1.26 -1.18 118.68 126.46 3kws s LEU 53 Ca 0.05 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 3kws s LEU 53 Cb -0.28 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 3kws s LEU 53 CO 0.01 -0.50 -0.05 -0.55 0.23 0.00 0.00 176.35 175.49 3kws s SER 54 N -1.58 0.62 -0.01 2.29 0.15 0.03 -1.65 113.70 113.55 3kws s SER 54 Ca 0.58 -0.67 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3kws s SER 54 Cb -0.22 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3kws s SER 54 CO 0.27 -0.34 -0.20 -0.36 1.20 0.00 0.00 173.24 173.81 3kws s PHE 55 N -2.13 1.83 0.87 3.44 0.08 -0.36 -1.04 117.98 120.67 3kws s PHE 55 Ca -0.06 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 3kws s PHE 55 Cb -0.05 -1.17 0.12 0.00 -0.57 0.00 0.00 43.02 41.34 3kws s PHE 55 CO -0.02 -0.02 1.11 -0.65 -0.10 0.00 0.00 175.22 175.53 3kws s GLN 56 N -0.53 1.44 0.46 0.44 -0.21 -0.95 -0.71 119.66 119.60 3kws s GLN 56 Ca 0.08 1.21 0.12 0.00 0.02 0.00 0.00 55.36 56.79 3kws s GLN 56 Cb -0.08 -1.80 1.06 0.00 1.00 0.00 0.00 33.01 33.19 3kws s GLN 56 CO -0.01 -2.23 2.10 1.49 -2.12 0.00 0.00 175.29 174.52 3kws h GLU 57 N -1.56 0.28 -0.13 2.91 4.81 -1.87 -2.48 114.58 116.54 3kws h GLU 57 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kws h GLU 57 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3kws h GLU 57 CO 0.49 0.19 0.00 0.41 -0.73 0.00 0.00 179.01 179.36 3kws n GLY 58 N -1.51 -0.03 0.08 1.92 0.00 -1.26 -4.41 105.19 99.98 3kws n GLY 58 Ca 0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 3kws n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kws h ILE 59 N 1.66 1.31 -3.92 -0.61 1.08 -1.79 -3.46 117.51 111.78 3kws h ILE 59 Ca 0.00 -1.62 -0.48 0.00 -0.39 0.00 0.00 64.86 62.37 3kws h ILE 59 Cb 0.36 2.31 0.01 0.00 -3.07 0.00 0.00 36.82 36.43 3kws h ILE 59 CO 0.00 0.38 0.41 0.00 -0.69 0.00 0.00 178.15 178.25 3kws s ALA 60 N -3.16 3.16 0.56 1.87 0.00 -1.26 -5.01 121.76 117.92 3kws s ALA 60 Ca -0.15 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 3kws s ALA 60 Cb -0.01 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3kws s ALA 60 CO 0.58 -0.13 1.20 -1.25 0.00 0.00 0.00 175.76 176.16 3kws s PRO 61 N -2.23 3.19 0.00 0.00 0.04 -1.26 -4.87 135.00 129.87 3kws s PRO 61 Ca 0.54 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3kws s PRO 61 Cb -0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3kws s PRO 61 CO 0.29 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.71 3kws n GLY 62 N 0.46 3.86 1.00 0.56 0.00 -1.26 -4.05 105.19 105.76 3kws n GLY 62 Ca 0.12 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3kws n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kws n GLU 63 N -1.39 2.37 -3.78 1.61 -0.58 -1.26 -4.84 120.64 112.77 3kws n GLU 63 Ca 0.00 -2.17 -0.10 0.00 -0.42 0.00 0.00 57.16 54.48 3kws n GLU 63 Cb 0.00 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.38 3kws n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3kws s SER 64 N -1.26 -0.16 0.18 1.62 1.04 -1.26 -5.02 113.70 108.84 3kws s SER 64 Ca 0.34 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 3kws s SER 64 Cb 0.20 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.93 3kws s SER 64 CO 0.27 -0.96 1.82 0.25 0.98 0.00 0.00 173.24 175.60 3kws h LEU 65 N 2.34 0.54 -1.20 2.42 5.85 -1.99 -1.87 115.31 121.40 3kws h LEU 65 Ca -0.31 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3kws h LEU 65 Cb 1.25 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3kws h LEU 65 CO 0.43 0.38 0.31 0.78 -0.34 0.00 0.00 178.44 180.00 3kws h ASN 66 N 0.65 0.78 -0.49 1.25 2.35 -1.96 -0.32 115.58 117.84 3kws h ASN 66 Ca 0.21 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3kws h ASN 66 Cb -0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3kws h ASN 66 CO -0.08 0.65 0.13 -0.33 -1.65 0.00 0.00 177.43 176.15 3kws h GLU 67 N 0.87 0.77 -0.57 0.81 5.08 -1.85 0.30 114.58 120.00 3kws h GLU 67 Ca 0.22 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3kws h GLU 67 Cb 0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3kws h GLU 67 CO -0.03 0.75 0.24 0.87 -1.00 0.00 0.00 179.01 179.83 3kws h LYS 68 N 0.66 0.85 -0.62 2.33 1.57 -0.86 -1.56 116.57 118.94 3kws h LYS 68 Ca 0.15 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3kws h LYS 68 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3kws h LYS 68 CO -0.00 0.73 0.24 -0.07 -0.57 0.00 0.00 179.45 179.77 3kws h LEU 69 N 0.78 0.84 -0.40 2.94 3.38 -0.86 -2.51 115.31 119.48 3kws h LEU 69 Ca 0.19 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kws h LEU 69 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kws h LEU 69 CO -0.02 0.76 0.26 0.44 0.09 0.00 0.00 178.44 179.97 3kws h ASP 70 N 0.90 0.44 0.00 -0.43 3.32 -0.46 0.35 116.42 120.54 3kws h ASP 70 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kws h ASP 70 Cb 0.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kws h ASP 70 CO -0.02 0.32 0.00 0.33 -1.72 0.00 0.00 179.24 178.15 3kws n PHE 71 N -4.82 0.00 0.00 4.55 -0.00 -0.63 -2.08 117.46 114.47 3kws n PHE 71 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 3kws n PHE 71 Cb 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.45 3kws n PHE 71 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3kws n GLU 73 N 0.71 0.00 -0.24 -4.13 1.02 0.11 -2.65 120.64 115.47 3kws n GLU 73 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3kws n GLU 73 Cb 0.03 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 31.76 3kws n GLU 73 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3kws h LYS 74 N 0.00 0.82 -0.14 3.49 3.64 -1.68 -1.70 116.57 120.99 3kws h LYS 74 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kws h LYS 74 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3kws h LYS 74 CO 0.00 0.54 0.00 1.28 -2.27 0.00 0.00 179.45 179.00 3kws n LEU 75 N -4.49 2.05 -1.79 5.20 4.77 -1.09 -4.95 117.00 116.71 3kws n LEU 75 Ca 0.13 -0.80 -0.16 0.00 -0.03 0.00 0.00 56.01 55.14 3kws n LEU 75 Cb 0.25 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3kws n LEU 75 CO 0.33 0.40 -0.20 0.61 -1.33 0.00 0.00 177.39 177.19 3kws n GLY 76 N 1.23 -0.01 3.67 -0.72 0.00 -0.64 -4.99 105.19 103.73 3kws n GLY 76 Ca 0.17 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3kws n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 77 N -2.79 4.74 -1.27 1.61 1.01 -1.26 -4.81 120.40 117.63 3kws s VAL 77 Ca 0.00 1.98 0.14 0.00 0.00 0.00 0.00 61.98 64.10 3kws s VAL 77 Cb 0.00 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3kws s VAL 77 CO 0.00 -0.10 0.78 1.33 0.00 0.00 0.00 175.10 177.11 3kws n VAL 78 N 5.01 0.00 -5.04 2.92 0.24 -0.85 -4.42 118.33 116.19 3kws n VAL 78 Ca 0.10 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 3kws n VAL 78 Cb 0.47 1.16 -0.14 0.00 -1.47 0.00 0.00 33.84 33.86 3kws n VAL 78 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kws s GLY 79 N -1.75 1.42 -0.11 7.63 0.00 -0.66 -0.90 107.32 112.96 3kws s GLY 79 Ca 0.11 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3kws s GLY 79 CO 0.36 -0.88 -0.16 -0.12 0.00 0.00 0.00 173.10 172.30 3kws s PHE 80 N -0.71 2.07 -0.49 1.90 5.36 0.17 -1.23 117.98 125.05 3kws s PHE 80 Ca 0.11 -0.96 0.03 0.00 -0.96 0.00 0.00 56.93 55.15 3kws s PHE 80 Cb -0.10 -1.47 0.13 0.00 -0.34 0.00 0.00 43.02 41.23 3kws s PHE 80 CO 0.00 -0.48 0.24 -2.00 -1.46 0.00 0.00 175.22 171.52 3kws s GLU 81 N 0.90 1.95 0.52 10.12 2.12 0.12 -1.19 118.70 133.23 3kws s GLU 81 Ca -0.08 -2.44 -0.10 0.00 0.36 0.00 0.00 54.97 52.70 3kws s GLU 81 Cb -0.15 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 3kws s GLU 81 CO -0.01 -1.08 0.91 -1.25 -0.54 0.00 0.00 175.26 173.29 3kws s PRO 82 N 0.01 3.68 0.73 4.30 0.04 -1.25 -2.85 135.00 139.67 3kws s PRO 82 Ca 0.16 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 3kws s PRO 82 Cb -0.24 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.11 3kws s PRO 82 CO -0.02 -0.32 1.10 0.20 0.04 0.00 0.00 177.00 178.01 3kws s GLY 83 N -3.76 1.87 0.02 0.56 0.00 -1.26 -1.49 107.32 103.25 3kws s GLY 83 Ca 0.53 0.39 0.27 0.00 0.00 0.00 0.00 44.72 45.91 3kws s GLY 83 CO 0.43 0.74 1.72 0.61 0.00 0.00 0.00 173.10 176.61 3kws n GLY 84 N -0.88 -1.42 3.64 0.20 0.00 -0.93 -4.68 105.19 101.11 3kws n GLY 84 Ca 0.10 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 3kws n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kws n GLY 85 N 1.48 1.44 2.40 -0.02 0.00 -1.26 -1.75 105.19 107.49 3kws n GLY 85 Ca 0.06 0.84 -0.18 0.00 0.00 0.00 0.00 46.02 46.75 3kws n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kws n GLY 86 N 4.87 0.35 0.33 -0.02 0.00 -1.26 -4.91 105.19 104.56 3kws n GLY 86 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 3kws n GLY 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kws h LEU 87 N 0.00 1.06 -1.00 0.99 5.85 -1.61 -2.01 115.31 118.58 3kws h LEU 87 Ca -0.40 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.29 3kws h LEU 87 Cb 1.26 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 3kws h LEU 87 CO 0.51 0.90 0.63 0.00 -0.34 0.00 0.00 178.44 180.15 3kws h ALA 88 N 1.20 1.49 0.00 1.25 0.00 -1.86 0.51 119.26 121.86 3kws h ALA 88 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kws h ALA 88 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kws h ALA 88 CO -0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3kws n GLY 89 N -1.35 -1.18 0.69 0.00 0.00 -0.77 -2.96 105.19 99.62 3kws n GLY 89 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3kws n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kws n ARG 90 N -1.34 2.15 -0.31 1.61 1.74 0.14 -4.67 116.66 115.98 3kws n ARG 90 Ca 0.10 -1.86 -0.05 0.00 -0.77 0.00 0.00 57.85 55.27 3kws n ARG 90 Cb 0.22 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.44 3kws n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kws h VAL 91 N 2.52 1.26 -0.23 1.55 2.07 -1.37 -0.54 116.25 121.51 3kws h VAL 91 Ca 0.00 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3kws h VAL 91 Cb 0.70 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3kws h VAL 91 CO 0.00 0.32 -0.04 -1.13 0.02 0.00 0.00 177.57 176.74 3kws h ASN 92 N 1.20 0.44 -0.46 0.57 -0.73 -1.83 -0.98 115.58 113.79 3kws h ASN 92 Ca 0.29 -0.35 0.06 0.00 1.87 0.00 0.00 56.30 58.16 3kws h ASN 92 Cb 0.15 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 38.57 3kws h ASN 92 CO -0.03 0.69 0.16 -0.08 -0.37 0.00 0.00 177.43 177.80 3kws h GLU 93 N 0.18 0.33 -0.11 6.67 4.81 -1.77 -0.67 114.58 124.02 3kws h GLU 93 Ca 0.06 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3kws h GLU 93 Cb 0.49 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3kws h GLU 93 CO 0.02 0.22 -0.29 0.82 -0.73 0.00 0.00 179.01 179.05 3kws h ILE 94 N 0.34 1.39 -0.65 2.32 2.04 -1.06 -1.70 117.51 120.19 3kws h ILE 94 Ca 0.21 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.55 3kws h ILE 94 Cb 0.21 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 3kws h ILE 94 CO -0.22 0.47 0.33 0.11 0.00 0.00 0.00 178.15 178.84 3kws h LYS 95 N -0.04 0.58 -0.54 2.37 1.57 -1.00 -0.97 116.57 118.54 3kws h LYS 95 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3kws h LYS 95 Cb 0.90 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3kws h LYS 95 CO 0.06 0.38 0.10 1.96 -0.57 0.00 0.00 179.45 181.39 3kws h GLN 96 N 0.59 0.88 -0.23 3.15 1.08 -1.08 -2.06 115.11 117.46 3kws h GLN 96 Ca 0.30 -0.23 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3kws h GLN 96 Cb 0.26 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3kws h GLN 96 CO -0.22 0.85 -0.25 0.00 -0.95 0.00 0.00 178.83 178.26 3kws h ALA 97 N 1.00 1.15 0.00 3.87 0.00 -0.88 -2.78 119.26 121.62 3kws h ALA 97 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kws h ALA 97 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kws h ALA 97 CO 0.01 0.54 -0.22 1.28 0.00 0.00 0.00 179.25 180.85 3kws n LEU 98 N -4.13 0.54 -4.68 0.00 4.77 -0.40 -4.83 117.00 108.27 3kws n LEU 98 Ca -0.00 0.39 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 3kws n LEU 98 Cb 0.40 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3kws n LEU 98 CO 0.41 -0.06 1.27 0.59 -1.33 0.00 0.00 177.39 178.27 3kws n ASN 99 N -1.94 3.35 0.00 -1.43 3.02 -0.79 -0.94 115.26 116.53 3kws n ASN 99 Ca 0.05 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 3kws n ASN 99 Cb 0.40 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3kws n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kws n GLY 100 N 3.64 0.72 3.83 7.41 0.00 -1.26 -5.01 105.19 114.52 3kws n GLY 100 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3kws n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kws s ARG 101 N -0.18 3.03 -1.01 1.61 0.52 -0.12 -5.00 118.95 117.81 3kws s ARG 101 Ca 0.00 -0.76 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 3kws s ARG 101 Cb 0.00 -2.74 0.07 0.00 0.52 0.00 0.00 34.95 32.80 3kws s ARG 101 CO 0.00 0.51 2.61 -1.71 0.02 0.00 0.00 175.30 176.73 3kws n ASN 102 N -0.22 7.48 -3.83 0.23 5.15 -1.26 -4.84 115.26 117.96 3kws n ASN 102 Ca -0.08 -3.09 -0.13 0.00 -0.60 0.00 0.00 54.58 50.68 3kws n ASN 102 Cb 0.54 -1.34 -0.14 0.00 -0.53 0.00 0.00 39.78 38.31 3kws n ASN 102 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kws s ILE 103 N -1.18 -0.02 0.16 -1.44 1.01 -1.26 -4.46 121.20 114.01 3kws s ILE 103 Ca 0.57 0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.36 3kws s ILE 103 Cb 0.25 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.59 3kws s ILE 103 CO -0.13 0.02 -0.16 -0.54 0.00 0.00 0.00 174.94 174.13 3kws s LYS 104 N 0.33 1.20 0.09 2.79 1.02 -0.08 -4.94 119.74 120.15 3kws s LYS 104 Ca -0.03 -1.38 -0.31 0.00 0.02 0.00 0.00 55.97 54.27 3kws s LYS 104 Cb -0.04 -1.16 -0.08 0.00 -0.52 0.00 0.00 37.83 36.03 3kws s LYS 104 CO -0.01 0.23 1.51 0.08 -0.92 0.00 0.00 175.35 176.23 3kws s VAL 105 N -2.23 3.16 0.00 3.17 1.01 -1.26 -0.66 120.40 123.59 3kws s VAL 105 Ca 0.15 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3kws s VAL 105 Cb -0.05 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3kws s VAL 105 CO 0.05 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.64 3kws n SER 106 N 4.71 0.00 -4.92 3.32 3.41 -0.33 -4.37 113.62 115.44 3kws n SER 106 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 3kws n SER 106 Cb 0.41 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3kws n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kws s ALA 107 N -3.79 3.13 -0.18 7.33 0.00 -1.26 -1.04 121.76 125.95 3kws s ALA 107 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3kws s ALA 107 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 3kws s ALA 107 CO 0.00 -1.16 -0.04 0.42 0.00 0.00 0.00 175.76 174.98 3kws s ILE 108 N -3.21 3.68 -0.61 0.00 -1.09 0.10 -3.90 121.20 116.17 3kws s ILE 108 Ca 0.58 -0.42 -0.20 0.00 -2.23 0.00 0.00 60.65 58.38 3kws s ILE 108 Cb -0.11 -2.63 0.09 0.00 -1.58 0.00 0.00 42.46 38.23 3kws s ILE 108 CO 0.46 0.46 0.79 0.00 -1.23 0.00 0.00 174.94 175.42 3kws n ALA 110 N 6.80 0.00 0.00 0.00 0.00 -0.86 -2.19 120.51 124.26 3kws n ALA 110 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kws n ALA 110 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3kws n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kws n GLY 111 N 0.00 0.48 3.84 0.00 0.00 -1.26 -2.34 105.19 105.91 3kws n GLY 111 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kws n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kws s PHE 112 N -2.01 3.31 0.24 1.61 -0.71 -1.26 -4.18 117.98 114.97 3kws s PHE 112 Ca 0.00 1.37 0.06 0.00 -1.04 0.00 0.00 56.93 57.32 3kws s PHE 112 Cb 0.00 -2.82 -0.03 0.00 -1.21 0.00 0.00 43.02 38.96 3kws s PHE 112 CO 0.00 -1.02 0.23 0.15 -1.34 0.00 0.00 175.22 173.24 3kws s LYS 113 N -5.08 3.05 2.33 1.99 1.02 -1.26 -5.01 119.74 116.78 3kws s LYS 113 Ca 0.57 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3kws s LYS 113 Cb -0.13 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3kws s LYS 113 CO 0.54 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.80 3kws n GLY 114 N -1.10 -0.41 3.54 -3.33 0.00 -1.26 -2.45 105.19 100.17 3kws n GLY 114 Ca -0.08 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3kws n GLY 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kws s PHE 115 N 0.00 -0.68 -0.43 1.61 -0.71 -1.25 -4.83 117.98 111.69 3kws s PHE 115 Ca 0.00 1.36 0.26 0.00 -1.04 0.00 0.00 56.93 57.51 3kws s PHE 115 Cb 0.00 0.34 0.99 0.00 -1.21 0.00 0.00 43.02 43.14 3kws s PHE 115 CO 0.00 -0.51 1.76 0.97 -1.34 0.00 0.00 175.22 176.10 3kws h ILE 116 N 3.41 0.00 -0.59 -4.49 6.09 -1.86 -2.96 117.51 117.11 3kws h ILE 116 Ca -0.28 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3kws h ILE 116 Cb 1.15 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3kws h ILE 116 CO 0.27 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.53 3kws n LEU 117 N -2.41 3.70 -4.75 2.19 4.77 -1.25 -4.84 117.00 114.40 3kws n LEU 117 Ca 0.03 -1.84 -0.38 0.00 -0.03 0.00 0.00 56.01 53.78 3kws n LEU 117 Cb 0.29 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3kws n LEU 117 CO 0.23 0.89 0.98 -0.55 -1.33 0.00 0.00 177.39 177.61 3kws s SER 118 N -1.13 5.28 0.00 -1.43 0.15 -1.12 -0.25 113.70 115.20 3kws s SER 118 Ca 0.43 2.75 0.25 0.00 0.70 0.00 0.00 55.95 60.08 3kws s SER 118 Cb 0.23 -2.63 1.06 0.00 -1.71 0.00 0.00 66.02 62.96 3kws s SER 118 CO 0.31 -1.56 1.79 0.35 1.20 0.00 0.00 173.24 175.32 3kws n THR 119 N -1.04 0.30 -3.16 6.45 -2.24 -1.08 -4.63 114.28 108.90 3kws n THR 119 Ca 0.10 0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 3kws n THR 119 Cb 0.45 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 3kws n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kws s ASP 120 N -2.99 6.36 0.47 3.42 -1.08 -1.26 -4.97 116.67 116.63 3kws s ASP 120 Ca 0.12 -0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.30 3kws s ASP 120 Cb 0.16 -2.30 1.16 0.00 -1.46 0.00 0.00 42.92 40.47 3kws s ASP 120 CO 0.45 -0.59 1.98 -0.65 0.52 0.00 0.00 175.17 176.87 3kws h PRO 121 N 8.55 0.26 -0.37 4.34 0.11 -2.00 -1.42 132.00 141.47 3kws h PRO 121 Ca -0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3kws h PRO 121 Cb 1.11 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3kws h PRO 121 CO 0.83 0.17 -0.21 0.00 -0.21 0.00 0.00 178.00 178.58 3kws h ALA 122 N 1.71 0.94 -0.22 -0.75 0.00 -1.97 -0.07 119.26 118.90 3kws h ALA 122 Ca 0.28 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3kws h ALA 122 Cb 0.73 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kws h ALA 122 CO -0.06 0.61 -0.38 0.82 0.00 0.00 0.00 179.25 180.24 3kws h ILE 123 N 0.64 1.32 -0.64 0.00 2.04 -1.65 -0.71 117.51 118.51 3kws h ILE 123 Ca 0.09 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.38 3kws h ILE 123 Cb 0.69 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3kws h ILE 123 CO 0.05 0.50 0.41 0.03 0.00 0.00 0.00 178.15 179.14 3kws h ARG 124 N 0.35 0.81 -0.50 2.37 3.08 -1.20 -1.88 114.38 117.40 3kws h ARG 124 Ca 0.02 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3kws h ARG 124 Cb 0.97 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3kws h ARG 124 CO 0.09 0.53 0.05 -0.22 -1.07 0.00 0.00 179.97 179.35 3kws h LYS 125 N 0.83 0.80 -0.48 0.04 3.64 -0.86 -2.50 116.57 118.03 3kws h LYS 125 Ca 0.24 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3kws h LYS 125 Cb -0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3kws h LYS 125 CO -0.07 0.77 -0.00 1.49 -2.27 0.00 0.00 179.45 179.37 3kws h GLU 126 N 0.76 0.80 -0.07 1.90 4.57 -0.74 0.15 114.58 121.96 3kws h GLU 126 Ca 0.16 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3kws h GLU 126 Cb 0.39 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3kws h GLU 126 CO 0.01 0.81 0.00 0.00 -1.18 0.00 0.00 179.01 178.65 3kws n ASP 129 N 0.29 0.00 -1.25 0.00 8.00 0.51 -4.55 116.55 119.55 3kws n ASP 129 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kws n ASP 129 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3kws n ASP 129 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kws n THR 130 N 0.00 0.76 0.00 -3.53 -2.24 -0.26 -2.27 114.28 106.74 3kws n THR 130 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3kws n THR 130 Cb 0.00 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3kws n THR 130 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kws n LYS 132 N 1.07 0.00 -0.16 -0.78 5.02 -1.26 -2.23 118.16 119.82 3kws n LYS 132 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3kws n LYS 132 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.30 3kws n LYS 132 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3kws h GLU 133 N 0.00 0.65 -0.49 1.97 4.81 -1.86 -1.93 114.58 117.73 3kws h GLU 133 Ca 0.00 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3kws h GLU 133 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3kws h GLU 133 CO 0.00 0.47 0.05 0.82 -0.73 0.00 0.00 179.01 179.63 3kws h ILE 134 N 0.64 1.25 -0.51 2.32 2.04 -1.75 -2.77 117.51 118.74 3kws h ILE 134 Ca 0.17 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3kws h ILE 134 Cb -0.01 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3kws h ILE 134 CO -0.03 0.34 0.32 0.40 0.00 0.00 0.00 178.15 179.18 3kws h ILE 135 N 0.70 1.09 -0.64 -0.67 2.04 -1.80 0.19 117.51 118.41 3kws h ILE 135 Ca 0.15 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3kws h ILE 135 Cb 0.43 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3kws h ILE 135 CO 0.01 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.62 3kws h ALA 136 N 1.21 0.82 -0.57 1.87 0.00 -1.27 -0.79 119.26 120.52 3kws h ALA 136 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kws h ALA 136 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kws h ALA 136 CO -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 3kws h ALA 137 N 1.16 0.90 -0.70 0.00 0.00 -1.12 -2.01 119.26 117.49 3kws h ALA 137 Ca 0.22 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kws h ALA 137 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3kws h ALA 137 CO -0.03 0.65 0.44 0.00 0.00 0.00 0.00 179.25 180.31 3kws h ALA 138 N 1.06 0.91 -0.59 0.00 0.00 -0.28 -2.00 119.26 118.36 3kws h ALA 138 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kws h ALA 138 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3kws h ALA 138 CO 0.03 0.23 0.21 0.78 0.00 0.00 0.00 179.25 180.49 3kws h GLY 139 N 0.87 0.97 2.00 0.00 0.00 -0.84 -0.61 103.07 105.46 3kws h GLY 139 Ca 0.28 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3kws h GLY 139 CO -0.10 0.52 -0.09 0.83 0.00 0.00 0.00 176.54 177.71 3kws h GLU 140 N 0.83 0.00 -0.12 4.80 5.08 -0.77 -2.11 114.58 122.29 3kws h GLU 140 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kws h GLU 140 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kws h GLU 140 CO -0.01 0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 3kws n LEU 141 N -4.28 2.20 -0.76 1.33 4.77 -0.81 -4.95 117.00 114.49 3kws n LEU 141 Ca -0.03 -0.83 -0.09 0.00 -0.03 0.00 0.00 56.01 55.04 3kws n LEU 141 Cb 0.17 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3kws n LEU 141 CO 0.34 0.41 -0.09 0.61 -1.33 0.00 0.00 177.39 177.33 3kws n GLY 142 N 1.26 0.70 3.77 -0.72 0.00 -0.65 -4.41 105.19 105.12 3kws n GLY 142 Ca 0.17 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3kws n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kws s SER 143 N -2.81 5.83 0.29 1.61 0.15 -0.33 -4.86 113.70 113.58 3kws s SER 143 Ca 0.00 2.38 0.25 0.00 0.70 0.00 0.00 55.95 59.28 3kws s SER 143 Cb 0.00 -2.61 1.01 0.00 -1.71 0.00 0.00 66.02 62.72 3kws s SER 143 CO 0.00 -1.16 1.75 0.71 1.20 0.00 0.00 173.24 175.74 3kws h THR 144 N 1.58 0.00 0.00 6.45 1.35 -1.29 -3.43 112.91 117.57 3kws h THR 144 Ca -0.50 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3kws h THR 144 Cb 1.26 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3kws h THR 144 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 3kws n GLY 145 N 0.11 2.96 3.47 5.82 0.00 -1.26 -4.01 105.19 112.28 3kws n GLY 145 Ca 0.02 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 3kws n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 146 N -2.00 4.36 0.13 1.61 1.01 -0.34 -0.72 120.40 124.45 3kws s VAL 146 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 3kws s VAL 146 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 3kws s VAL 146 CO 0.00 0.35 1.03 -0.63 0.00 0.00 0.00 175.10 175.86 3kws s ILE 147 N 1.46 4.23 -0.10 2.22 1.01 0.18 -0.67 121.20 129.53 3kws s ILE 147 Ca 0.06 1.85 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 3kws s ILE 147 Cb -0.15 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.19 3kws s ILE 147 CO 0.04 0.28 0.23 -0.51 0.00 0.00 0.00 174.94 174.97 3kws s ILE 148 N 0.02 -0.07 -0.25 2.92 2.07 -0.21 -2.02 121.20 123.67 3kws s ILE 148 Ca 0.49 0.16 -0.13 0.00 -1.41 0.00 0.00 60.65 59.76 3kws s ILE 148 Cb -0.26 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 3kws s ILE 148 CO 0.32 0.07 0.30 -0.69 -1.91 0.00 0.00 174.94 173.02 3kws s VAL 149 N 1.33 5.24 0.20 4.00 1.01 -1.26 -1.90 120.40 129.01 3kws s VAL 149 Ca -0.09 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 3kws s VAL 149 Cb -0.11 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.78 3kws s VAL 149 CO -0.08 0.23 1.71 -0.65 0.00 0.00 0.00 175.10 176.31 3kws h PRO 150 N 7.96 0.25 -1.90 2.72 0.11 -1.97 -3.44 132.00 135.73 3kws h PRO 150 Ca -0.34 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.80 3kws h PRO 150 Cb 1.17 -0.06 -0.22 0.00 0.11 0.00 0.00 31.00 32.01 3kws h PRO 150 CO 0.64 0.16 0.06 0.00 -0.21 0.00 0.00 178.00 178.65 3kws s ALA 151 N -6.12 -2.00 0.64 -0.75 0.00 -1.26 -3.83 121.76 108.44 3kws s ALA 151 Ca -0.13 2.37 -0.10 0.00 0.00 0.00 0.00 51.96 54.10 3kws s ALA 151 Cb 0.17 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3kws s ALA 151 CO 0.73 -0.48 1.03 -0.06 0.00 0.00 0.00 175.76 176.98 3kws s PHE 152 N 1.83 3.50 0.28 0.00 0.40 -1.26 -4.57 117.98 118.15 3kws s PHE 152 Ca -0.09 1.13 0.01 0.00 -0.60 0.00 0.00 56.93 57.38 3kws s PHE 152 Cb -0.06 -2.81 0.61 0.00 0.51 0.00 0.00 43.02 41.27 3kws s PHE 152 CO -0.19 -0.84 1.75 -0.91 0.70 0.00 0.00 175.22 175.73 3kws h ASN 153 N -0.39 0.52 -0.09 1.36 2.35 -1.25 -1.72 115.58 116.37 3kws h ASN 153 Ca -0.45 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3kws h ASN 153 Cb 1.22 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3kws h ASN 153 CO 0.63 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 177.19 3kws n GLY 154 N -1.33 -0.32 3.44 2.83 0.00 -1.26 -4.65 105.19 103.90 3kws n GLY 154 Ca 0.19 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3kws n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kws s GLN 155 N -1.89 3.44 0.02 1.61 -0.21 -0.65 -4.96 119.66 117.02 3kws s GLN 155 Ca 0.30 -1.55 -0.04 0.00 0.02 0.00 0.00 55.36 54.09 3kws s GLN 155 Cb 0.15 -4.69 -0.01 0.00 1.00 0.00 0.00 33.01 29.46 3kws s GLN 155 CO 0.24 -1.74 0.05 0.14 -2.12 0.00 0.00 175.29 171.86 3kws s VAL 156 N 2.89 0.11 0.37 1.09 -7.23 -1.26 -4.24 120.40 112.13 3kws s VAL 156 Ca 0.28 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 59.29 3kws s VAL 156 Cb -0.09 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.27 3kws s VAL 156 CO -0.04 -0.50 1.10 -2.16 -0.31 0.00 0.00 175.10 173.20 3kws s PRO 157 N -1.74 4.22 0.18 4.82 0.04 -1.26 -5.06 135.00 136.20 3kws s PRO 157 Ca -0.13 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.69 3kws s PRO 157 Cb -0.07 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3kws s PRO 157 CO -0.01 -0.13 -0.18 0.00 0.04 0.00 0.00 177.00 176.72 3kws s ALA 158 N -1.46 2.06 0.50 8.56 0.00 -1.26 -2.62 121.76 127.54 3kws s ALA 158 Ca 0.55 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 3kws s ALA 158 Cb -0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3kws s ALA 158 CO 0.34 0.21 1.39 -0.51 0.00 0.00 0.00 175.76 177.19 3kws s LEU 159 N -2.85 3.97 0.70 0.00 1.43 0.66 -4.77 118.68 117.81 3kws s LEU 159 Ca 0.18 2.84 -0.13 0.00 -1.03 0.00 0.00 54.13 55.99 3kws s LEU 159 Cb -0.05 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 42.07 3kws s LEU 159 CO 0.07 -1.39 1.09 -2.16 0.23 0.00 0.00 176.35 174.19 3kws s PRO 160 N -2.70 2.71 -1.12 1.29 0.04 -1.26 -4.91 135.00 129.05 3kws s PRO 160 Ca 0.67 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.72 3kws s PRO 160 Cb -0.42 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.26 3kws s PRO 160 CO 0.52 -1.30 1.47 -1.58 0.04 0.00 0.00 177.00 176.15 3kws s HIS 161 N -2.68 2.87 0.00 0.56 2.46 -1.26 -4.51 115.29 112.73 3kws s HIS 161 Ca 0.63 -1.39 0.00 0.00 0.47 0.00 0.00 55.06 54.77 3kws s HIS 161 Cb -0.17 -4.58 0.00 0.00 -0.13 0.00 0.00 32.58 27.70 3kws s HIS 161 CO 0.48 -1.73 0.00 0.25 -2.47 0.00 0.00 174.74 171.27 3kws n THR 162 N 6.12 0.00 0.00 0.89 -2.24 -1.26 -5.04 114.28 112.75 3kws n THR 162 Ca 0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 3kws n THR 162 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3kws n THR 162 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kws n GLU 164 N 0.00 0.00 -0.17 -0.78 2.13 -1.26 -1.22 120.64 119.34 3kws n GLU 164 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 3kws n GLU 164 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kws n GLU 164 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3kws h THR 165 N 0.00 1.27 -0.77 6.31 2.02 -1.97 -2.29 112.91 117.49 3kws h THR 165 Ca 0.00 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 65.85 3kws h THR 165 Cb 0.00 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3kws h THR 165 CO 0.00 0.47 0.50 -0.09 0.37 0.00 0.00 175.52 176.77 3kws h ARG 166 N 0.88 0.98 -0.59 6.66 2.43 -1.48 0.26 114.38 123.53 3kws h ARG 166 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3kws h ARG 166 Cb 0.76 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3kws h ARG 166 CO 0.06 0.65 0.34 -0.44 -1.51 0.00 0.00 179.97 179.07 3kws h ASP 167 N 1.01 0.72 -0.41 -3.80 3.32 -1.79 -0.95 116.42 114.53 3kws h ASP 167 Ca 0.29 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3kws h ASP 167 Cb -0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3kws h ASP 167 CO -0.08 0.59 0.10 0.15 -1.72 0.00 0.00 179.24 178.29 3kws h PHE 168 N 0.80 0.69 -0.86 4.55 3.57 -0.83 -1.49 116.94 123.37 3kws h PHE 168 Ca 0.21 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3kws h PHE 168 Cb 0.02 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3kws h PHE 168 CO -0.02 0.66 0.54 1.25 -2.23 0.00 0.00 178.31 178.52 3kws h LEU 169 N 0.52 0.87 -0.65 0.59 5.85 -0.20 -1.00 115.31 121.30 3kws h LEU 169 Ca 0.13 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3kws h LEU 169 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3kws h LEU 169 CO 0.00 0.58 0.22 0.00 -0.34 0.00 0.00 178.44 178.90 3kws h GLU 171 N 0.94 0.68 -0.25 0.00 5.08 -0.64 -0.68 114.58 119.71 3kws h GLU 171 Ca 0.21 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3kws h GLU 171 Cb 0.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kws h GLU 171 CO -0.01 0.50 -0.02 1.96 -1.00 0.00 0.00 179.01 180.44 3kws h GLN 172 N 0.66 0.46 -0.13 2.33 1.08 -0.92 -2.22 115.11 116.39 3kws h GLN 172 Ca 0.18 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3kws h GLN 172 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3kws h GLN 172 CO -0.03 0.65 -0.13 0.74 -0.95 0.00 0.00 178.83 179.11 3kws h PHE 173 N 0.23 0.20 -0.62 2.96 -1.00 -1.07 -2.40 116.94 115.25 3kws h PHE 173 Ca 0.07 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.76 3kws h PHE 173 Cb 0.46 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 3kws h PHE 173 CO 0.04 0.33 0.11 -0.97 -1.61 0.00 0.00 178.31 176.20 3kws h ASN 174 N 0.19 0.98 0.00 2.17 -1.24 -0.83 0.23 115.58 117.08 3kws h ASN 174 Ca 0.04 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.79 3kws h ASN 174 Cb 0.35 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3kws h ASN 174 CO 0.02 0.99 0.00 1.21 -1.29 0.00 0.00 177.43 178.36 3kws n GLU 175 N -4.28 0.12 0.00 6.67 2.13 -0.86 -1.23 120.64 123.20 3kws n GLU 175 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kws n GLU 175 Cb 0.28 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.77 3kws n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kws n GLY 177 N 0.64 0.00 0.24 8.31 0.00 0.80 -2.33 105.19 112.86 3kws n GLY 177 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kws n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kws h THR 178 N 0.00 1.23 -0.26 2.61 2.02 -1.40 0.26 112.91 117.37 3kws h THR 178 Ca 0.00 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3kws h THR 178 Cb 0.00 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3kws h THR 178 CO 0.00 0.28 0.05 0.15 0.37 0.00 0.00 175.52 176.37 3kws h PHE 179 N 0.71 0.44 -0.56 3.16 3.57 -1.72 -2.01 116.94 120.54 3kws h PHE 179 Ca 0.17 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kws h PHE 179 Cb 0.25 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3kws h PHE 179 CO 0.01 0.51 0.35 0.00 -2.23 0.00 0.00 178.31 176.95 3kws h ALA 180 N 0.87 0.71 -0.98 2.41 0.00 -1.78 -2.18 119.26 118.31 3kws h ALA 180 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kws h ALA 180 Cb 0.30 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3kws h ALA 180 CO 0.00 0.18 0.65 0.00 0.00 0.00 0.00 179.25 180.08 3kws h ALA 181 N 1.18 1.35 -0.11 0.00 0.00 -0.87 0.27 119.26 121.07 3kws h ALA 181 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kws h ALA 181 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3kws h ALA 181 CO -0.04 0.56 0.05 1.96 0.00 0.00 0.00 179.25 181.78 3kws h GLN 182 N 1.26 0.15 -0.65 0.00 4.20 -0.77 -1.26 115.11 118.03 3kws h GLN 182 Ca 0.39 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3kws h GLN 182 Cb -0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3kws h GLN 182 CO -0.11 0.12 0.00 0.72 -0.67 0.00 0.00 178.83 178.89 3kws n HIS 183 N -4.49 1.10 -1.49 2.96 8.25 -0.10 -4.95 115.22 116.50 3kws n HIS 183 Ca -0.01 -0.48 -0.08 0.00 -0.26 0.00 0.00 57.72 56.88 3kws n HIS 183 Cb 0.10 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3kws n HIS 183 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kws n GLY 184 N 1.31 0.72 0.00 -1.41 0.00 -0.48 -4.33 105.19 101.01 3kws n GLY 184 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kws n GLY 184 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kws n THR 185 N -3.12 0.00 -4.06 2.61 5.66 -0.15 -4.87 114.28 110.35 3kws n THR 185 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 3kws n THR 185 Cb 0.35 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.08 3kws n THR 185 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kws s SER 186 N 0.91 0.36 0.04 1.09 1.04 -1.26 -3.17 113.70 112.71 3kws s SER 186 Ca 0.00 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.25 3kws s SER 186 Cb 0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3kws s SER 186 CO 0.00 -1.18 -0.10 0.68 0.98 0.00 0.00 173.24 173.62 3kws s VAL 187 N -3.59 3.40 -0.22 5.02 -7.23 0.10 -1.20 120.40 116.68 3kws s VAL 187 Ca 0.28 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 3kws s VAL 187 Cb 0.00 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.50 3kws s VAL 187 CO 0.14 0.31 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.59 3kws s ILE 188 N -1.04 1.13 0.26 -0.62 1.01 0.15 -0.87 121.20 121.22 3kws s ILE 188 Ca 0.18 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3kws s ILE 188 Cb -0.11 -1.49 -0.11 0.00 0.01 0.00 0.00 42.46 40.76 3kws s ILE 188 CO 0.09 -0.14 1.57 -0.36 0.00 0.00 0.00 174.94 176.09 3kws s PHE 189 N 1.58 2.86 -0.23 3.97 0.08 -0.42 -1.04 117.98 124.78 3kws s PHE 189 Ca -0.04 0.78 0.01 0.00 0.12 0.00 0.00 56.93 57.80 3kws s PHE 189 Cb -0.18 -4.01 0.03 0.00 -0.57 0.00 0.00 43.02 38.30 3kws s PHE 189 CO -0.07 -3.43 -0.13 -2.00 -0.10 0.00 0.00 175.22 169.49 3kws s GLU 190 N -0.17 2.72 0.19 0.44 2.12 -0.80 -4.47 118.70 118.72 3kws s GLU 190 Ca 0.64 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 3kws s GLU 190 Cb -0.46 -2.80 -0.08 0.00 0.26 0.00 0.00 34.13 31.05 3kws s GLU 190 CO 0.44 -0.38 1.13 -2.14 -0.54 0.00 0.00 175.26 173.77 3kws s PRO 191 N 1.25 4.57 0.35 4.30 0.02 -1.26 -4.59 135.00 139.63 3kws s PRO 191 Ca -0.01 1.77 0.09 0.00 0.02 0.00 0.00 61.00 62.87 3kws s PRO 191 Cb -0.16 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.04 3kws s PRO 191 CO -0.08 0.05 -0.01 -0.51 -0.33 0.00 0.00 177.00 176.12 3kws s LEU 192 N -0.47 2.92 0.62 -5.54 1.43 -0.75 -4.65 118.68 112.25 3kws s LEU 192 Ca 0.50 -1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 3kws s LEU 192 Cb -0.31 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3kws s LEU 192 CO 0.36 -0.25 0.99 0.54 0.23 0.00 0.00 176.35 178.22 3kws s ASN 193 N -3.70 5.87 0.52 2.29 2.20 -1.26 -4.09 114.94 116.77 3kws s ASN 193 Ca 0.34 1.11 0.33 0.00 -0.94 0.00 0.00 52.86 53.71 3kws s ASN 193 Cb 0.01 -2.12 1.48 0.00 -2.00 0.00 0.00 41.25 38.62 3kws s ASN 193 CO 0.19 -1.01 1.80 0.08 -2.94 0.00 0.00 177.10 175.22 3kws h ARG 194 N -0.31 0.06 0.00 3.55 0.11 -1.92 0.49 114.38 116.36 3kws h ARG 194 Ca -0.45 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3kws h ARG 194 Cb 1.22 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3kws h ARG 194 CO 0.62 0.04 0.00 0.87 0.10 0.00 0.00 179.97 181.60 3kws h LYS 195 N 0.06 0.00 0.00 0.08 1.57 -2.02 -3.29 116.57 112.97 3kws h LYS 195 Ca 0.56 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.24 3kws h LYS 195 Cb 2.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 3kws h LYS 195 CO -0.06 0.00 -1.36 0.39 -0.57 0.00 0.00 179.45 177.85 3kws n GLU 196 N -2.56 3.08 -3.59 3.15 1.02 0.01 -4.94 120.64 116.81 3kws n GLU 196 Ca 0.02 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 3kws n GLU 196 Cb 0.27 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 3kws n GLU 196 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kws n PHE 198 N -0.15 0.00 0.01 0.00 7.35 -1.26 -3.23 117.46 120.17 3kws n PHE 198 Ca -0.17 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.43 3kws n PHE 198 Cb 0.63 -0.45 -0.03 0.00 0.35 0.00 0.00 39.48 39.98 3kws n PHE 198 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 3kws h TYR 199 N 0.00 -0.44 -3.27 -5.13 5.03 -1.95 -3.39 116.97 107.81 3kws h TYR 199 Ca -0.25 0.02 -0.54 0.00 2.58 0.00 0.00 58.73 60.54 3kws h TYR 199 Cb 1.50 0.21 -0.40 0.00 1.55 0.00 0.00 36.73 39.60 3kws h TYR 199 CO 0.01 -0.25 -0.77 -1.17 -1.32 0.00 0.00 178.16 174.66 3kws s LEU 200 N -10.41 1.46 -0.01 2.82 2.96 -1.26 -5.00 118.68 109.25 3kws s LEU 200 Ca -0.15 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.79 3kws s LEU 200 Cb 0.10 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3kws s LEU 200 CO 0.67 -0.32 0.05 0.54 -1.32 0.00 0.00 176.35 175.97 3kws n ARG 201 N 4.99 0.95 -4.44 1.98 1.74 -1.26 -1.81 116.66 118.80 3kws n ARG 201 Ca -0.08 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 3kws n ARG 201 Cb 0.46 -1.07 -0.13 0.00 -1.02 0.00 0.00 32.46 30.69 3kws n ARG 201 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kws s GLN 202 N -2.17 1.36 0.19 5.56 -0.21 -1.26 -4.42 119.66 118.71 3kws s GLN 202 Ca -0.01 -1.22 -0.10 0.00 0.02 0.00 0.00 55.36 54.04 3kws s GLN 202 Cb 0.02 -1.71 0.12 0.00 1.00 0.00 0.00 33.01 32.43 3kws s GLN 202 CO 0.12 0.41 1.78 0.28 -2.12 0.00 0.00 175.29 175.76 3kws h VAL 203 N 4.03 1.23 -0.63 1.09 2.07 -1.94 -2.12 116.25 119.98 3kws h VAL 203 Ca -0.48 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3kws h VAL 203 Cb 1.17 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3kws h VAL 203 CO 0.40 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.63 3kws h ALA 204 N 1.15 1.45 -0.02 1.67 0.00 -1.90 0.99 119.26 122.60 3kws h ALA 204 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kws h ALA 204 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kws h ALA 204 CO -0.03 0.46 0.00 0.22 0.00 0.00 0.00 179.25 179.91 3kws h ASP 205 N 0.86 0.04 -1.00 0.00 3.58 -1.85 -1.64 116.42 116.40 3kws h ASP 205 Ca 0.22 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.44 3kws h ASP 205 Cb -0.00 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 3kws h ASP 205 CO -0.04 0.29 0.65 0.00 -2.88 0.00 0.00 179.24 177.27 3kws h ALA 206 N 0.74 1.32 -0.40 -0.78 0.00 -0.85 -1.58 119.26 117.71 3kws h ALA 206 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3kws h ALA 206 Cb 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kws h ALA 206 CO 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 3kws h ALA 207 N 1.40 0.98 -0.36 0.00 0.00 -0.70 -0.88 119.26 119.70 3kws h ALA 207 Ca 0.39 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3kws h ALA 207 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kws h ALA 207 CO -0.12 0.60 -0.28 1.03 0.00 0.00 0.00 179.25 180.48 3kws h SER 208 N 0.66 0.77 -0.21 0.00 0.87 -0.86 0.73 113.55 115.51 3kws h SER 208 Ca 0.10 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3kws h SER 208 Cb 0.64 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3kws h SER 208 CO 0.04 1.01 0.13 -0.07 -0.53 0.00 0.00 176.83 177.42 3kws h LEU 209 N 0.64 0.22 -0.70 2.23 3.38 -0.93 -0.93 115.31 119.23 3kws h LEU 209 Ca 0.08 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kws h LEU 209 Cb 0.80 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3kws h LEU 209 CO 0.07 0.16 0.46 0.00 0.09 0.00 0.00 178.44 179.21 3kws h ARG 211 N 0.92 1.07 -0.25 0.00 2.43 -0.55 0.28 114.38 118.29 3kws h ARG 211 Ca 0.26 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3kws h ARG 211 Cb -0.07 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 3kws h ARG 211 CO -0.07 0.84 -0.42 -0.44 -1.51 0.00 0.00 179.97 178.38 3kws h ASP 212 N 1.05 0.64 -0.27 -3.80 3.32 -0.88 -3.05 116.42 113.44 3kws h ASP 212 Ca 0.25 -0.29 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 3kws h ASP 212 Cb 0.13 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3kws h ASP 212 CO -0.03 0.98 -0.56 0.40 -1.72 0.00 0.00 179.24 178.31 3kws h ILE 213 N 0.49 1.27 -5.93 0.35 2.04 -0.90 -3.48 117.51 111.36 3kws h ILE 213 Ca 0.04 -1.74 -0.36 0.00 1.00 0.00 0.00 64.86 63.79 3kws h ILE 213 Cb 0.93 1.65 0.13 0.00 -0.74 0.00 0.00 36.82 38.78 3kws h ILE 213 CO 0.08 0.57 -0.90 -3.20 0.00 0.00 0.00 178.15 174.70 3kws n ASN 214 N -4.00 -5.37 -3.85 1.72 5.15 0.06 -4.98 115.26 104.00 3kws n ASN 214 Ca -0.04 -0.88 -0.20 0.00 -0.60 0.00 0.00 54.58 52.85 3kws n ASN 214 Cb 0.63 -4.12 -0.17 0.00 -0.53 0.00 0.00 39.78 35.60 3kws n ASN 214 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3kws s ASN 215 N -3.53 0.96 0.60 1.20 3.84 -1.26 -5.02 114.94 111.72 3kws s ASN 215 Ca 0.42 -0.10 0.30 0.00 0.21 0.00 0.00 52.86 53.69 3kws s ASN 215 Cb -0.11 -0.40 1.73 0.00 -0.55 0.00 0.00 41.25 41.92 3kws s ASN 215 CO 0.81 -0.09 2.12 1.55 -2.79 0.00 0.00 177.10 178.70 3kws h PRO 216 N 7.43 0.00 -0.06 0.43 0.13 -1.95 -1.49 132.00 136.49 3kws h PRO 216 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3kws h PRO 216 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kws h PRO 216 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 3kws n GLY 217 N -1.36 -0.44 3.04 1.56 0.00 -1.25 -4.74 105.19 102.00 3kws n GLY 217 Ca 0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3kws n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kws s VAL 218 N -1.92 1.78 0.26 1.61 1.01 -0.56 -0.72 120.40 121.85 3kws s VAL 218 Ca 0.32 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3kws s VAL 218 Cb 0.16 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3kws s VAL 218 CO 0.25 0.34 0.14 0.54 0.00 0.00 0.00 175.10 176.37 3kws n ARG 219 N 4.67 0.53 -1.33 2.72 5.12 -0.05 -4.74 116.66 123.57 3kws n ARG 219 Ca -0.17 -2.33 0.00 0.00 -1.93 0.00 0.00 57.85 53.42 3kws n ARG 219 Cb 0.48 1.52 0.00 0.00 -1.16 0.00 0.00 32.46 33.30 3kws n ARG 219 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kws s GLY 222 N -0.75 0.02 -0.24 0.00 0.00 -1.21 -0.41 107.32 104.74 3kws s GLY 222 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3kws s GLY 222 CO 0.00 -0.05 -0.12 -0.35 0.00 0.00 0.00 173.10 172.58 3kws s ASP 223 N -0.46 4.05 0.46 1.64 -1.08 -1.26 -1.59 116.67 118.43 3kws s ASP 223 Ca -0.05 -1.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.18 3kws s ASP 223 Cb -0.03 -1.57 1.23 0.00 -1.46 0.00 0.00 42.92 41.09 3kws s ASP 223 CO 0.00 -0.12 1.86 -0.26 0.52 0.00 0.00 175.17 177.17 3kws h PHE 224 N 7.90 0.36 0.75 -5.34 0.04 -1.15 -1.76 116.94 117.73 3kws h PHE 224 Ca -0.31 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.44 3kws h PHE 224 Cb 1.09 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.14 3kws h PHE 224 CO 0.57 0.08 -0.36 2.35 -0.60 0.00 0.00 178.31 180.36 3kws h TRP 225 N 0.26 -0.93 0.00 -0.55 2.91 -1.82 -2.24 115.95 113.58 3kws h TRP 225 Ca 0.47 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.46 3kws h TRP 225 Cb 1.40 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 3kws h TRP 225 CO -0.00 -0.58 0.00 0.72 -1.03 0.00 0.00 178.44 177.55 3kws n HIS 226 N -5.52 0.00 0.00 2.65 8.25 -0.66 -3.87 115.22 116.07 3kws n HIS 226 Ca -0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3kws n HIS 226 Cb 0.40 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3kws n HIS 226 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3kws n THR 228 N 1.17 0.00 0.04 1.59 -1.04 -0.85 -1.77 114.28 113.42 3kws n THR 228 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3kws n THR 228 Cb 0.04 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 3kws n THR 228 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3kws n TRP 229 N 0.00 0.81 0.28 -1.42 7.02 -1.25 -4.50 117.44 118.38 3kws n TRP 229 Ca 0.00 0.26 0.04 0.00 -1.02 0.00 0.00 57.50 56.78 3kws n TRP 229 Cb 0.00 -0.99 -0.05 0.00 -2.42 0.00 0.00 31.31 27.85 3kws n TRP 229 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3kws n GLU 230 N -2.75 2.98 -4.60 -0.99 -0.58 -0.73 -4.96 120.64 109.01 3kws n GLU 230 Ca -0.08 -0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 3kws n GLU 230 Cb 0.75 -1.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.48 3kws n GLU 230 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kws s GLU 231 N -2.05 3.33 0.40 3.49 0.41 -1.26 -4.86 118.70 118.15 3kws s GLU 231 Ca 0.01 -0.70 0.22 0.00 -0.41 0.00 0.00 54.97 54.09 3kws s GLU 231 Cb 0.06 -2.67 0.62 0.00 -1.78 0.00 0.00 34.13 30.36 3kws s GLU 231 CO 0.36 0.10 1.69 1.79 -0.49 0.00 0.00 175.26 178.71 3kws h THR 232 N 5.53 0.53 -2.91 3.63 1.35 -1.93 -3.43 112.91 115.68 3kws h THR 232 Ca -0.30 -1.39 -0.34 0.00 -0.55 0.00 0.00 66.41 63.83 3kws h THR 232 Cb 1.20 1.98 -0.37 0.00 -1.73 0.00 0.00 68.15 69.22 3kws h THR 232 CO 0.57 0.26 -0.66 -0.55 -0.25 0.00 0.00 175.52 174.88 3kws s SER 233 N -6.24 1.32 0.00 5.36 0.15 -1.26 -5.06 113.70 107.96 3kws s SER 233 Ca 0.02 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.61 3kws s SER 233 Cb 0.09 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3kws s SER 233 CO 0.67 -0.29 0.11 0.47 1.20 0.00 0.00 173.24 175.39 3kws n ASP 234 N 5.31 0.30 0.00 5.45 8.00 -1.26 -1.50 116.55 132.85 3kws n ASP 234 Ca -0.05 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.21 3kws n ASP 234 Cb 0.50 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3kws n ASP 234 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kws n GLY 236 N 0.82 0.00 0.09 0.44 0.00 -1.26 -1.42 105.19 103.86 3kws n GLY 236 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kws n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kws h ALA 237 N 0.00 -0.14 -0.36 4.61 0.00 -1.70 -0.58 119.26 121.08 3kws h ALA 237 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3kws h ALA 237 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kws h ALA 237 CO 0.00 -0.53 -0.11 0.74 0.00 0.00 0.00 179.25 179.35 3kws h PHE 238 N -0.24 0.68 -0.51 0.00 0.04 -1.50 -0.63 116.94 114.79 3kws h PHE 238 Ca -0.01 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 3kws h PHE 238 Cb 0.20 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3kws h PHE 238 CO -0.04 0.72 0.31 0.82 -0.60 0.00 0.00 178.31 179.52 3kws h ILE 239 N 0.58 1.15 -0.71 -0.55 2.04 -1.77 0.38 117.51 118.63 3kws h ILE 239 Ca 0.10 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3kws h ILE 239 Cb 0.53 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3kws h ILE 239 CO 0.03 0.15 0.43 0.28 0.00 0.00 0.00 178.15 179.04 3kws h SER 240 N 0.68 0.84 0.10 1.72 0.02 -0.82 -2.53 113.55 113.57 3kws h SER 240 Ca 0.18 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3kws h SER 240 Cb -0.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3kws h SER 240 CO -0.04 0.65 -0.22 1.23 -1.14 0.00 0.00 176.83 177.31 3kws h GLY 241 N 1.00 -0.39 0.00 -3.77 0.00 -0.21 -3.46 103.07 96.24 3kws h GLY 241 Ca 0.25 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3kws h GLY 241 CO -0.05 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 176.90 3kws n GLY 242 N -1.34 3.04 0.23 4.60 0.00 0.04 -1.71 105.19 110.04 3kws n GLY 242 Ca -0.06 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.91 3kws n GLY 242 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kws h GLU 243 N 0.00 0.00 -0.00 1.61 4.11 -1.88 -2.08 114.58 116.34 3kws h GLU 243 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kws h GLU 243 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kws h GLU 243 CO 0.00 0.00 -0.31 0.66 0.07 0.00 0.00 179.01 179.43 3kws n TYR 244 N -2.66 0.00 -2.56 2.06 4.01 -0.70 -4.86 117.16 112.46 3kws n TYR 244 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 3kws n TYR 244 Cb 0.13 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 3kws n TYR 244 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3kws s LEU 245 N -2.74 3.93 -0.01 7.72 2.96 -0.78 -1.34 118.68 128.43 3kws s LEU 245 Ca 0.19 1.14 0.07 0.00 -0.22 0.00 0.00 54.13 55.31 3kws s LEU 245 Cb 0.19 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.24 3kws s LEU 245 CO 0.59 -0.93 0.22 1.67 -1.32 0.00 0.00 176.35 176.57 3kws n GLN 246 N 6.99 2.12 -3.55 1.98 -0.06 0.46 -4.91 117.38 120.40 3kws n GLN 246 Ca 0.13 -0.04 -0.11 0.00 -2.00 0.00 0.00 57.00 54.98 3kws n GLN 246 Cb 0.47 -1.03 -0.02 0.00 -4.06 0.00 0.00 30.24 25.60 3kws n GLN 246 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3kws s HIS 247 N -2.14 -0.40 -0.04 3.69 2.46 -1.25 -4.50 115.29 113.10 3kws s HIS 247 Ca -0.00 0.12 -0.03 0.00 0.47 0.00 0.00 55.06 55.62 3kws s HIS 247 Cb 0.05 0.55 0.02 0.00 -0.13 0.00 0.00 32.58 33.06 3kws s HIS 247 CO 0.30 -0.92 0.10 0.08 -2.47 0.00 0.00 174.74 171.82 3kws s VAL 248 N -3.80 -0.01 -0.00 0.89 1.01 -0.93 -3.29 120.40 114.26 3kws s VAL 248 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 3kws s VAL 248 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3kws s VAL 248 CO -0.08 0.02 0.07 -1.00 0.00 0.00 0.00 175.10 174.11 3kws s HIS 249 N 0.33 3.24 0.04 5.22 3.76 -0.62 -0.30 115.29 126.96 3kws s HIS 249 Ca -0.02 0.18 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 3kws s HIS 249 Cb -0.04 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3kws s HIS 249 CO -0.01 0.53 -0.13 0.54 -0.85 0.00 0.00 174.74 174.83 3kws s VAL 250 N -1.17 0.98 0.12 -0.90 0.11 0.18 -0.48 120.40 119.24 3kws s VAL 250 Ca 0.22 -0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 58.03 3kws s VAL 250 Cb -0.12 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 33.89 3kws s VAL 250 CO 0.13 -0.07 0.75 0.00 -3.33 0.00 0.00 175.10 172.58 3kws s ALA 251 N -0.93 -1.63 0.74 1.54 0.00 -1.26 -1.51 121.76 118.72 3kws s ALA 251 Ca -0.01 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 3kws s ALA 251 Cb -0.08 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.79 3kws s ALA 251 CO 0.01 -0.81 1.19 -1.54 0.00 0.00 0.00 175.76 174.61 3kws s SER 252 N -2.71 4.17 0.00 0.00 1.04 0.46 -4.63 113.70 112.03 3kws s SER 252 Ca 0.05 2.29 0.22 0.00 0.48 0.00 0.00 55.95 58.98 3kws s SER 252 Cb -0.02 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 63.98 3kws s SER 252 CO -0.07 -2.27 1.40 0.54 0.98 0.00 0.00 173.24 173.81 3kws n ARG 253 N -2.86 2.51 -0.02 4.02 1.74 -1.26 -2.57 116.66 118.22 3kws n ARG 253 Ca 0.13 -2.33 -0.03 0.00 -0.77 0.00 0.00 57.85 54.85 3kws n ARG 253 Cb 0.51 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 3kws n ARG 253 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kws n LYS 254 N 1.45 0.09 -0.03 5.56 5.02 -1.26 -4.86 118.16 124.12 3kws n LYS 254 Ca 0.20 0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 3kws n LYS 254 Cb 0.59 -0.97 0.02 0.00 -0.02 0.00 0.00 35.03 34.65 3kws n LYS 254 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kws n ARG 255 N -2.73 2.67 -3.82 1.97 1.74 -1.26 -5.02 116.66 110.21 3kws n ARG 255 Ca -0.06 -1.51 -0.25 0.00 -0.77 0.00 0.00 57.85 55.25 3kws n ARG 255 Cb 0.56 -1.04 0.02 0.00 -1.02 0.00 0.00 32.46 30.98 3kws n ARG 255 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3kws n ARG 256 N -0.29 -4.93 -0.02 5.56 0.63 -1.06 -4.86 116.66 111.69 3kws n ARG 256 Ca 0.02 0.58 -0.06 0.00 -0.92 0.00 0.00 57.85 57.47 3kws n ARG 256 Cb 0.26 -5.22 -0.02 0.00 0.45 0.00 0.00 32.46 27.93 3kws n ARG 256 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kws n SER 257 N -2.96 0.50 -4.65 6.15 7.64 -1.26 -0.69 113.62 118.35 3kws n SER 257 Ca -0.17 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.44 3kws n SER 257 Cb 0.62 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 3kws n SER 257 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3kws s PRO 259 N -2.11 4.04 0.00 1.43 0.02 -1.26 -0.40 135.00 136.71 3kws s PRO 259 Ca -0.08 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 60.65 3kws s PRO 259 Cb 0.03 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3kws s PRO 259 CO 0.10 0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.34 3kws n GLY 260 N 3.93 2.49 0.27 0.52 0.00 -1.26 -3.74 105.19 107.40 3kws n GLY 260 Ca -0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3kws n GLY 260 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kws h GLU 261 N 0.85 0.00 -0.55 1.61 5.08 -1.95 -1.81 114.58 117.81 3kws h GLU 261 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kws h GLU 261 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3kws h GLU 261 CO 0.00 0.08 0.03 -0.25 -1.00 0.00 0.00 179.01 177.87 3kws n ASP 262 N -3.27 5.40 0.00 1.42 8.00 -1.26 -5.06 116.55 121.78 3kws n ASP 262 Ca -0.00 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.51 3kws n ASP 262 Cb 0.29 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3kws n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kws n GLY 263 N 0.37 3.59 0.28 0.44 0.00 -0.68 -2.56 105.19 106.62 3kws n GLY 263 Ca 0.29 -0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.40 3kws n GLY 263 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kws h ASP 264 N 0.00 0.00 0.94 1.61 3.32 -1.97 -1.17 116.42 119.15 3kws h ASP 264 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kws h ASP 264 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kws h ASP 264 CO 0.00 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 3kws h ALA 265 N 2.02 1.00 -1.54 3.45 0.00 -1.92 -3.37 119.26 118.92 3kws h ALA 265 Ca 0.00 -0.01 -0.76 0.00 0.00 0.00 0.00 54.91 54.14 3kws h ALA 265 Cb 0.14 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.74 3kws h ALA 265 CO 0.00 0.01 1.43 -0.25 0.00 0.00 0.00 179.25 180.44 3kws n ASP 266 N -3.11 5.36 -4.00 0.00 8.00 -0.44 -4.59 116.55 117.76 3kws n ASP 266 Ca 0.00 -3.09 -0.30 0.00 0.71 0.00 0.00 54.79 52.12 3kws n ASP 266 Cb 0.29 -1.48 -0.16 0.00 -0.02 0.00 0.00 41.12 39.75 3kws n ASP 266 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kws s ASN 267 N 1.38 2.98 -0.01 -2.24 3.84 -1.26 -4.78 114.94 114.85 3kws s ASN 267 Ca 0.39 -0.66 0.06 0.00 0.21 0.00 0.00 52.86 52.85 3kws s ASN 267 Cb 0.02 -1.17 0.15 0.00 -0.55 0.00 0.00 41.25 39.69 3kws s ASN 267 CO 0.01 -0.10 1.12 -1.22 -2.79 0.00 0.00 177.10 174.11 3kws n TYR 268 N 4.75 0.21 0.12 0.43 4.01 -1.26 -4.82 117.16 120.59 3kws n TYR 268 Ca -0.16 -0.54 -0.13 0.00 -0.16 0.00 0.00 57.90 56.91 3kws n TYR 268 Cb 0.48 -0.06 -0.07 0.00 -0.31 0.00 0.00 39.34 39.38 3kws n TYR 268 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3kws h ILE 269 N 0.82 0.85 -0.33 -0.72 2.04 -1.94 0.10 117.51 118.33 3kws h ILE 269 Ca 0.00 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3kws h ILE 269 Cb 0.65 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3kws h ILE 269 CO 0.01 0.00 0.03 -1.13 0.00 0.00 0.00 178.15 177.06 3kws h ASN 270 N -0.21 -0.07 -0.37 1.72 -0.73 -1.97 0.82 115.58 114.77 3kws h ASN 270 Ca -0.02 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3kws h ASN 270 Cb 0.16 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 3kws h ASN 270 CO 0.04 -0.00 0.20 1.23 -0.37 0.00 0.00 177.43 178.52 3kws h GLY 271 N 0.13 0.56 1.03 1.57 0.00 -1.76 -2.39 103.07 102.20 3kws h GLY 271 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.26 3kws h GLY 271 CO -0.24 0.25 0.58 0.74 0.00 0.00 0.00 176.54 177.86 3kws h PHE 272 N 0.47 1.06 -0.86 5.60 0.04 -0.16 0.18 116.94 123.27 3kws h PHE 272 Ca 0.13 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.97 3kws h PHE 272 Cb 0.07 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 37.81 3kws h PHE 272 CO -0.02 0.62 0.55 0.87 -0.60 0.00 0.00 178.31 179.73 3kws h LYS 273 N 1.11 1.01 -0.27 1.51 1.57 -0.54 -0.88 116.57 120.08 3kws h LYS 273 Ca 0.34 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3kws h LYS 273 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3kws h LYS 273 CO -0.10 0.67 0.13 0.78 -0.57 0.00 0.00 179.45 180.36 3kws h GLY 274 N 1.04 0.42 0.76 3.86 0.00 -0.71 -2.87 103.07 105.57 3kws h GLY 274 Ca 0.35 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.52 3kws h GLY 274 CO -0.13 0.20 0.37 1.41 0.00 0.00 0.00 176.54 178.38 3kws h LEU 275 N 0.31 0.57 -2.35 3.11 3.38 -0.62 -2.23 115.31 117.48 3kws h LEU 275 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kws h LEU 275 Cb 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kws h LEU 275 CO -0.01 0.38 0.00 0.29 0.09 0.00 0.00 178.44 179.19 3kws n LYS 276 N -4.77 0.17 0.00 1.13 5.02 -0.37 -1.43 118.16 117.92 3kws n LYS 276 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3kws n LYS 276 Cb 0.14 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3kws n LYS 276 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kws n ILE 278 N 1.10 0.00 -2.74 -0.18 -5.35 -0.84 -4.59 119.36 106.76 3kws n ILE 278 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 3kws n ILE 278 Cb 0.09 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.01 3kws n ILE 278 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kws n GLY 279 N 0.00 -0.25 3.68 3.28 0.00 -1.01 -4.90 105.19 106.00 3kws n GLY 279 Ca 0.00 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 3kws n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kws n TYR 280 N -4.18 2.43 -1.91 1.61 9.36 -0.51 -4.89 117.16 119.06 3kws n TYR 280 Ca -0.11 0.08 0.04 0.00 3.32 0.00 0.00 57.90 61.23 3kws n TYR 280 Cb 0.60 -2.63 0.06 0.00 -0.63 0.00 0.00 39.34 36.74 3kws n TYR 280 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kws n ASN 281 N 4.67 0.96 0.00 2.98 4.05 -1.26 -4.88 115.26 121.78 3kws n ASN 281 Ca 0.18 -2.46 0.00 0.00 0.45 0.00 0.00 54.58 52.75 3kws n ASN 281 Cb 0.32 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3kws n ASN 281 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3kws n ASN 282 N -0.28 0.03 -4.84 1.20 3.02 -1.26 -5.02 115.26 108.12 3kws n ASN 282 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 3kws n ASN 282 Cb 0.81 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.94 3kws n ASN 282 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kws s TYR 283 N 2.75 3.23 -0.30 3.10 1.51 -1.26 -4.37 117.35 122.01 3kws s TYR 283 Ca 0.00 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3kws s TYR 283 Cb 0.00 -1.54 0.06 0.00 -0.11 0.00 0.00 41.96 40.37 3kws s TYR 283 CO 0.00 0.52 -0.01 0.08 -1.11 0.00 0.00 175.55 175.03 3kws s VAL 284 N -1.78 2.81 -0.10 0.71 1.01 -0.32 -2.20 120.40 120.53 3kws s VAL 284 Ca 0.32 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3kws s VAL 284 Cb -0.10 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3kws s VAL 284 CO 0.25 -0.13 -0.16 -0.55 0.00 0.00 0.00 175.10 174.50 3kws s SER 285 N 1.24 3.75 -0.03 3.32 0.15 0.59 -0.79 113.70 121.93 3kws s SER 285 Ca -0.05 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.93 3kws s SER 285 Cb -0.20 -1.38 -0.05 0.00 -1.71 0.00 0.00 66.02 62.68 3kws s SER 285 CO -0.02 0.20 1.37 -0.36 1.20 0.00 0.00 173.24 175.63 3kws s PHE 286 N 0.13 2.84 -0.32 3.44 0.40 -0.20 -0.65 117.98 123.62 3kws s PHE 286 Ca -0.08 0.85 -0.02 0.00 -0.60 0.00 0.00 56.93 57.08 3kws s PHE 286 Cb -0.15 -3.63 0.11 0.00 0.51 0.00 0.00 43.02 39.85 3kws s PHE 286 CO 0.05 -2.30 0.13 -2.00 0.70 0.00 0.00 175.22 171.80 3kws s GLU 287 N 2.61 0.56 0.05 0.44 2.12 -0.57 -2.25 118.70 121.66 3kws s GLU 287 Ca 0.62 -0.97 -0.28 0.00 0.36 0.00 0.00 54.97 54.70 3kws s GLU 287 Cb -0.29 -1.66 0.09 0.00 0.26 0.00 0.00 34.13 32.53 3kws s GLU 287 CO 0.25 -1.03 1.10 0.00 -0.54 0.00 0.00 175.26 175.04 3kws n GLY 289 N -0.44 0.43 3.20 0.00 0.00 0.14 -4.91 105.19 103.62 3kws n GLY 289 Ca -0.07 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3kws n GLY 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kws h GLN 291 N 8.12 0.27 0.00 0.00 1.08 -1.97 -3.49 115.11 119.12 3kws h GLN 291 Ca -0.18 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 3kws h GLN 291 Cb 1.13 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3kws h GLN 291 CO 0.19 1.22 0.00 0.41 -0.95 0.00 0.00 178.83 179.70 3kws n GLY 292 N 1.72 1.89 3.61 3.46 0.00 -1.26 -5.01 105.19 109.60 3kws n GLY 292 Ca -0.22 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 3kws n GLY 292 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kws s ASP 293 N -1.00 6.19 0.42 1.61 -1.08 -1.26 -4.87 116.67 116.68 3kws s ASP 293 Ca 0.00 1.26 0.19 0.00 -0.52 0.00 0.00 52.55 53.48 3kws s ASP 293 Cb 0.00 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 40.05 3kws s ASP 293 CO 0.00 -1.48 1.83 -0.09 0.52 0.00 0.00 175.17 175.96 3kws h ARG 294 N 11.50 0.36 0.00 4.34 2.43 -1.95 0.12 114.38 131.17 3kws h ARG 294 Ca -0.32 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3kws h ARG 294 Cb 1.14 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3kws h ARG 294 CO 1.04 0.24 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.80 3kws h ASN 295 N 0.37 0.00 0.00 -3.80 2.35 -1.97 -2.39 115.58 110.14 3kws h ASN 295 Ca 0.50 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.79 3kws h ASN 295 Cb 1.32 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.62 3kws h ASN 295 CO -0.19 0.02 -2.53 0.52 -1.65 0.00 0.00 177.43 173.60 3kws n VAL 296 N -3.15 1.53 0.17 2.81 0.31 0.25 -4.56 118.33 115.69 3kws n VAL 296 Ca -0.00 -0.41 0.05 0.00 -0.01 0.00 0.00 64.34 63.97 3kws n VAL 296 Cb 0.27 -1.83 0.25 0.00 -0.91 0.00 0.00 33.84 31.61 3kws n VAL 296 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3kws h VAL 297 N -0.89 0.90 0.13 2.52 -1.51 -1.16 -2.55 116.25 113.69 3kws h VAL 297 Ca -0.69 -1.74 -0.01 0.00 -1.23 0.00 0.00 66.70 63.03 3kws h VAL 297 Cb 1.65 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 3kws h VAL 297 CO -0.39 0.41 -0.06 0.58 -1.23 0.00 0.00 177.57 176.88 3kws h VAL 298 N 0.00 1.04 -0.90 7.19 2.07 -1.65 -1.65 116.25 122.35 3kws h VAL 298 Ca -0.00 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.69 3kws h VAL 298 Cb 1.04 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 3kws h VAL 298 CO 0.05 0.20 0.59 -0.65 0.02 0.00 0.00 177.57 177.79 3kws h PRO 299 N -0.60 1.02 -0.83 1.57 0.11 -1.79 -1.89 132.00 129.59 3kws h PRO 299 Ca -0.02 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3kws h PRO 299 Cb 0.47 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3kws h PRO 299 CO 0.03 0.68 0.54 0.00 -0.21 0.00 0.00 178.00 179.04 3kws h ALA 300 N 1.50 1.06 -0.22 -0.75 0.00 -1.40 -1.34 119.26 118.11 3kws h ALA 300 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3kws h ALA 300 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kws h ALA 300 CO -0.14 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3kws h ALA 301 N 1.30 0.29 -0.66 0.00 0.00 -0.64 -0.42 119.26 119.13 3kws h ALA 301 Ca 0.30 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3kws h ALA 301 Cb -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3kws h ALA 301 CO -0.06 -0.08 0.38 0.28 0.00 0.00 0.00 179.25 179.77 3kws h VAL 302 N 0.18 1.02 -0.49 0.00 2.07 -1.17 -1.32 116.25 116.53 3kws h VAL 302 Ca 0.07 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3kws h VAL 302 Cb 0.25 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3kws h VAL 302 CO -0.00 0.13 0.19 0.50 0.02 0.00 0.00 177.57 178.41 3kws h LYS 303 N 0.72 0.74 -0.44 1.57 3.64 -1.04 -2.00 116.57 119.77 3kws h LYS 303 Ca 0.28 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3kws h LYS 303 Cb 0.12 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3kws h LYS 303 CO -0.15 0.67 0.22 1.25 -2.27 0.00 0.00 179.45 179.17 3kws h LEU 304 N 0.65 0.56 -0.64 5.20 5.85 -0.78 -1.03 115.31 125.13 3kws h LEU 304 Ca 0.16 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3kws h LEU 304 Cb 0.21 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3kws h LEU 304 CO -0.01 0.52 0.17 -0.07 -0.34 0.00 0.00 178.44 178.71 3kws h LEU 305 N 0.57 0.97 -0.95 2.25 3.38 -1.13 -0.97 115.31 119.42 3kws h LEU 305 Ca 0.15 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3kws h LEU 305 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kws h LEU 305 CO -0.02 0.94 -0.25 0.03 0.09 0.00 0.00 178.44 179.23 3kws h ARG 306 N 0.95 0.47 -0.40 1.13 3.08 -1.16 -0.35 114.38 118.10 3kws h ARG 306 Ca 0.20 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3kws h ARG 306 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kws h ARG 306 CO -0.00 0.69 -0.09 0.93 -1.07 0.00 0.00 179.97 180.43 3kws h GLU 307 N 0.41 0.76 -0.27 0.04 5.08 -0.82 -2.23 114.58 117.56 3kws h GLU 307 Ca 0.06 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3kws h GLU 307 Cb 0.67 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kws h GLU 307 CO 0.05 0.90 -0.33 1.96 -1.00 0.00 0.00 179.01 180.58 3kws h GLN 308 N 0.58 0.59 -0.64 2.33 4.20 -0.97 -2.35 115.11 118.85 3kws h GLN 308 Ca 0.10 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3kws h GLN 308 Cb 0.61 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3kws h GLN 308 CO 0.04 0.84 0.39 2.35 -0.67 0.00 0.00 178.83 181.78 3kws h TRP 309 N 0.50 0.83 -0.04 2.96 2.91 -0.96 -0.17 115.95 121.98 3kws h TRP 309 Ca 0.06 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 3kws h TRP 309 Cb 0.81 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 3kws h TRP 309 CO 0.03 0.56 -0.20 1.49 -1.03 0.00 0.00 178.44 179.30 3kws h GLU 310 N 0.86 0.06 0.00 2.65 4.81 -1.15 -2.78 114.58 119.04 3kws h GLU 310 Ca 0.23 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 3kws h GLU 310 Cb -0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kws h GLU 310 CO -0.04 0.26 -0.82 1.96 -0.73 0.00 0.00 179.01 179.64 3kws h GLN 311 N 0.06 0.00 0.00 1.92 4.20 -0.86 -3.52 115.11 116.91 3kws h GLN 311 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kws h GLN 311 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3kws h GLN 311 CO 0.03 0.82 0.00 0.00 -0.67 0.00 0.00 178.83 179.01