#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lml s VAL 101 N 0.00 4.15 0.17 3.34 -7.23 -1.26 -4.87 120.40 114.70 1lml s VAL 101 Ca 0.00 -1.19 0.10 0.00 -1.81 0.00 0.00 61.98 59.08 1lml s VAL 101 Cb 0.00 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1lml s VAL 101 CO 0.00 -0.08 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.35 1lml s ARG 102 N -2.95 1.40 0.47 4.82 0.52 -1.26 -0.60 118.95 121.34 1lml s ARG 102 Ca 0.29 -1.44 -0.21 0.00 -0.52 0.00 0.00 55.73 53.85 1lml s ARG 102 Cb -0.10 -1.67 -0.08 0.00 0.52 0.00 0.00 34.95 33.62 1lml s ARG 102 CO 0.21 0.36 1.07 0.34 0.02 0.00 0.00 175.30 177.30 1lml s ASP 103 N -2.53 6.34 0.35 0.23 2.15 -0.17 -4.93 116.67 118.12 1lml s ASP 103 Ca 0.17 2.04 0.18 0.00 0.43 0.00 0.00 52.55 55.37 1lml s ASP 103 Cb -0.08 -2.57 0.57 0.00 -0.30 0.00 0.00 42.92 40.54 1lml s ASP 103 CO 0.08 -0.78 1.68 1.62 -0.17 0.00 0.00 175.17 177.60 1lml h VAL 104 N 1.71 0.92 -3.68 1.11 3.04 -1.95 -3.41 116.25 114.00 1lml h VAL 104 Ca -0.49 -1.67 -0.50 0.00 -1.01 0.00 0.00 66.70 63.03 1lml h VAL 104 Cb 1.23 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 32.51 1lml h VAL 104 CO 0.60 0.40 0.08 0.20 -1.01 0.00 0.00 177.57 177.84 1lml s ASN 105 N -6.46 6.67 -0.34 3.17 -0.87 -1.26 -5.01 114.94 110.84 1lml s ASN 105 Ca 0.00 1.19 -0.18 0.00 -1.57 0.00 0.00 52.86 52.30 1lml s ASN 105 Cb 0.11 -2.34 -0.01 0.00 -0.02 0.00 0.00 41.25 38.99 1lml s ASN 105 CO 0.70 -0.26 0.53 0.26 -2.57 0.00 0.00 177.10 175.76 1lml s TRP 106 N -2.10 3.19 0.00 2.20 0.52 -1.26 -4.23 118.94 117.25 1lml s TRP 106 Ca 0.52 0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.91 1lml s TRP 106 Cb -0.10 -2.93 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 1lml s TRP 106 CO 0.23 -0.52 0.00 0.41 0.02 0.00 0.00 176.95 177.09 1lml n GLY 107 N 4.72 6.12 3.77 0.98 0.00 0.26 -4.83 105.19 116.21 1lml n GLY 107 Ca -0.04 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 1lml n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml s ALA 108 N -2.00 3.24 -0.43 4.61 0.00 -1.26 -1.24 121.76 124.68 1lml s ALA 108 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 1lml s ALA 108 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1lml s ALA 108 CO 0.00 -0.34 1.14 -1.17 0.00 0.00 0.00 175.76 175.40 1lml s LEU 109 N -2.13 3.71 -0.56 0.00 2.96 -1.25 -4.64 118.68 116.76 1lml s LEU 109 Ca 0.52 0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 54.88 1lml s LEU 109 Cb -0.30 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 42.92 1lml s LEU 109 CO 0.38 -1.17 0.73 -0.13 -1.32 0.00 0.00 176.35 174.83 1lml s ARG 110 N 4.28 3.11 -0.24 1.98 3.00 -1.26 -4.88 118.95 124.94 1lml s ARG 110 Ca 0.48 -1.00 -0.09 0.00 0.00 0.00 0.00 55.73 55.13 1lml s ARG 110 Cb -0.09 -4.18 -0.04 0.00 0.00 0.00 0.00 34.95 30.65 1lml s ARG 110 CO 0.28 -1.45 0.11 0.42 0.00 0.00 0.00 175.30 174.66 1lml s ILE 111 N 2.95 4.77 -0.10 1.52 1.01 -1.26 -1.19 121.20 128.89 1lml s ILE 111 Ca 0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 1lml s ILE 111 Cb -0.20 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1lml s ILE 111 CO 0.10 0.34 0.37 0.00 0.00 0.00 0.00 174.94 175.74 1lml s ALA 112 N 1.37 3.60 -0.19 9.38 0.00 -0.20 -4.98 121.76 130.74 1lml s ALA 112 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1lml s ALA 112 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 1lml s ALA 112 CO 0.05 0.20 -0.07 0.08 0.00 0.00 0.00 175.76 176.02 1lml s VAL 113 N 0.01 3.25 -0.19 0.00 1.01 -1.26 -0.55 120.40 122.67 1lml s VAL 113 Ca 0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1lml s VAL 113 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1lml s VAL 113 CO 0.08 0.46 -0.04 -0.55 0.00 0.00 0.00 175.10 175.05 1lml s SER 114 N 1.12 4.53 -0.23 3.32 0.15 -0.08 -4.98 113.70 117.55 1lml s SER 114 Ca 0.01 -0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1lml s SER 114 Cb -0.15 -1.76 0.44 0.00 -1.71 0.00 0.00 66.02 62.84 1lml s SER 114 CO -0.01 0.07 1.20 0.35 1.20 0.00 0.00 173.24 176.04 1lml n THR 115 N 4.23 2.11 0.00 6.45 -2.24 -1.26 -1.10 114.28 122.46 1lml n THR 115 Ca -0.18 -3.41 0.09 0.00 -2.27 0.00 0.00 64.05 58.28 1lml n THR 115 Cb 0.52 -0.39 0.50 0.00 -2.10 0.00 0.00 70.33 68.86 1lml n THR 115 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1lml h GLU 116 N 1.51 0.37 0.00 -0.78 4.39 -1.81 -0.95 114.58 117.31 1lml h GLU 116 Ca 0.11 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1lml h GLU 116 Cb 1.28 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1lml h GLU 116 CO 0.29 0.25 -0.10 -0.44 -1.16 0.00 0.00 179.01 177.85 1lml h ASP 117 N 0.38 0.00 1.85 1.42 5.19 -1.81 -2.13 116.42 121.32 1lml h ASP 117 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1lml h ASP 117 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1lml h ASP 117 CO -0.05 0.10 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.10 1lml h LEU 118 N 0.00 0.00 0.00 1.55 3.38 -1.37 -3.33 115.31 115.54 1lml h LEU 118 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1lml h LEU 118 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lml h LEU 118 CO 0.01 0.00 -1.63 0.35 0.09 0.00 0.00 178.44 177.26 1lml n THR 119 N -2.86 0.06 -3.11 0.22 -2.24 -1.03 -4.90 114.28 100.41 1lml n THR 119 Ca 0.04 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1lml n THR 119 Cb 0.50 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1lml n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lml s ASP 120 N -3.61 6.43 0.53 3.42 -1.08 -0.83 -4.94 116.67 116.58 1lml s ASP 120 Ca -0.05 0.17 0.35 0.00 -0.52 0.00 0.00 52.55 52.51 1lml s ASP 120 Cb 0.08 -2.33 1.81 0.00 -1.46 0.00 0.00 42.92 41.03 1lml s ASP 120 CO 0.56 -0.58 2.07 1.55 0.52 0.00 0.00 175.17 179.29 1lml h PRO 121 N 8.43 0.00 0.00 4.34 0.13 -1.87 -0.82 132.00 142.21 1lml h PRO 121 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1lml h PRO 121 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1lml h PRO 121 CO 0.83 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.60 1lml n ALA 122 N -1.98 2.28 0.85 -0.56 0.00 -1.26 -3.57 120.51 116.27 1lml n ALA 122 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1lml n ALA 122 Cb 0.12 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.11 1lml n ALA 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lml n TYR 123 N -2.27 0.00 -4.05 0.00 4.02 -0.31 -4.78 117.16 109.77 1lml n TYR 123 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1lml n TYR 123 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.68 1lml n TYR 123 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1lml s HIS 124 N -2.08 0.63 -0.60 -0.72 -3.43 -1.22 -4.75 115.29 103.11 1lml s HIS 124 Ca 0.17 -0.95 -0.28 0.00 -0.80 0.00 0.00 55.06 53.20 1lml s HIS 124 Cb 0.16 -0.14 0.02 0.00 -1.43 0.00 0.00 32.58 31.18 1lml s HIS 124 CO 0.44 -0.78 1.39 0.00 -2.00 0.00 0.00 174.74 173.79 1lml n ALA 126 N 9.62 1.91 -2.78 0.00 0.00 -1.26 -1.03 120.51 126.96 1lml n ALA 126 Ca 0.11 -0.97 -0.16 0.00 0.00 0.00 0.00 53.44 52.42 1lml n ALA 126 Cb 0.49 -0.29 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 1lml n ALA 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lml s ARG 127 N -2.71 0.67 0.06 0.00 1.81 -1.26 -4.89 118.95 112.63 1lml s ARG 127 Ca -0.08 -0.85 -0.31 0.00 -1.72 0.00 0.00 55.73 52.77 1lml s ARG 127 Cb 0.07 -0.55 -0.06 0.00 -0.45 0.00 0.00 34.95 33.96 1lml s ARG 127 CO 0.75 0.12 1.25 0.08 -0.68 0.00 0.00 175.30 176.82 1lml s VAL 128 N -1.32 3.90 0.00 3.52 1.01 -1.26 -2.50 120.40 123.74 1lml s VAL 128 Ca -0.06 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1lml s VAL 128 Cb -0.10 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1lml s VAL 128 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1lml n GLY 129 N 3.31 0.52 3.77 4.51 0.00 0.09 -5.00 105.19 112.38 1lml n GLY 129 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1lml n GLY 129 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lml s GLN 130 N -0.86 3.14 -0.15 1.61 0.74 -1.04 -4.66 119.66 118.45 1lml s GLN 130 Ca 0.00 1.61 -0.04 0.00 0.05 0.00 0.00 55.36 56.98 1lml s GLN 130 Cb 0.00 -1.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.10 1lml s GLN 130 CO 0.00 -1.02 -0.02 -1.01 -0.55 0.00 0.00 175.29 172.69 1lml s HIS 131 N -1.86 3.06 0.04 1.67 3.76 -1.26 -0.45 115.29 120.25 1lml s HIS 131 Ca 0.72 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 1lml s HIS 131 Cb -0.24 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1lml s HIS 131 CO 0.31 0.05 -0.04 0.14 -0.85 0.00 0.00 174.74 174.35 1lml s VAL 132 N 0.20 0.30 0.06 -0.90 -7.23 -0.67 -4.98 120.40 107.18 1lml s VAL 132 Ca -0.01 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1lml s VAL 132 Cb -0.14 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 1lml s VAL 132 CO 0.02 -0.66 1.00 -0.54 -0.31 0.00 0.00 175.10 174.61 1lml s LYS 133 N -2.47 4.60 0.00 4.82 1.02 -1.26 -1.15 119.74 125.30 1lml s LYS 133 Ca -0.05 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.43 1lml s LYS 133 Cb -0.03 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1lml s LYS 133 CO -0.04 0.04 0.82 -0.40 -0.92 0.00 0.00 175.35 174.85 1lml n ASP 134 N 3.39 0.16 -1.21 2.83 5.75 -0.05 -4.84 116.55 122.58 1lml n ASP 134 Ca 0.05 -1.80 -0.16 0.00 -0.01 0.00 0.00 54.79 52.87 1lml n ASP 134 Cb 0.50 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 1lml n ASP 134 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1lml n HIS 135 N -0.40 0.00 -1.91 2.11 8.25 -1.26 -4.77 115.22 117.23 1lml n HIS 135 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1lml n HIS 135 Cb 0.04 -3.02 0.03 0.00 1.12 0.00 0.00 29.99 28.16 1lml n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lml n ALA 136 N 1.29 2.14 -1.54 -1.41 0.00 -1.26 -4.10 120.51 115.63 1lml n ALA 136 Ca -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1lml n ALA 136 Cb 0.61 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1lml n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lml n GLY 137 N -0.19 0.98 3.41 0.00 0.00 -1.26 -4.88 105.19 103.24 1lml n GLY 137 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1lml n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml s ALA 138 N -2.58 -1.43 -0.18 4.61 0.00 -1.26 -5.04 121.76 115.88 1lml s ALA 138 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 1lml s ALA 138 Cb 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1lml s ALA 138 CO 0.00 -0.63 -0.04 0.42 0.00 0.00 0.00 175.76 175.51 1lml s ILE 139 N -3.11 3.63 0.20 0.00 -1.09 -1.26 -0.87 121.20 118.70 1lml s ILE 139 Ca -0.02 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.06 1lml s ILE 139 Cb -0.00 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1lml s ILE 139 CO -0.07 0.46 -0.17 0.68 -1.23 0.00 0.00 174.94 174.61 1lml s VAL 140 N 0.83 1.91 -0.20 2.92 -7.23 -0.30 -4.95 120.40 113.38 1lml s VAL 140 Ca -0.01 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 1lml s VAL 140 Cb -0.15 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1lml s VAL 140 CO 0.02 -0.43 0.15 -0.89 -0.31 0.00 0.00 175.10 173.64 1lml s THR 141 N -2.47 5.39 0.11 5.32 2.01 -1.26 -1.67 115.64 123.07 1lml s THR 141 Ca 0.21 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1lml s THR 141 Cb -0.04 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.92 1lml s THR 141 CO 0.08 0.43 1.19 0.00 -0.69 0.00 0.00 174.62 175.63 1lml s THR 143 N 0.65 1.81 0.23 0.00 -4.23 -1.26 -0.73 115.64 112.11 1lml s THR 143 Ca 0.56 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1lml s THR 143 Cb -0.30 -2.20 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1lml s THR 143 CO 0.32 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.22 1lml h ALA 144 N 0.66 1.08 0.00 3.99 0.00 -1.96 -2.47 119.26 120.55 1lml h ALA 144 Ca -0.36 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1lml h ALA 144 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1lml h ALA 144 CO 0.54 0.14 -0.31 0.93 0.00 0.00 0.00 179.25 180.55 1lml h GLU 145 N 0.81 0.00 0.00 0.00 5.08 -1.96 -3.00 114.58 115.51 1lml h GLU 145 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1lml h GLU 145 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1lml h GLU 145 CO -0.20 0.31 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 1lml h ASP 146 N 0.00 0.00 -2.39 1.42 3.32 -1.76 -2.82 116.42 114.20 1lml h ASP 146 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1lml h ASP 146 Cb 0.66 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.24 1lml h ASP 146 CO 0.04 0.00 1.14 -0.38 -1.72 0.00 0.00 179.24 178.32 1lml n ILE 147 N -3.03 0.52 -2.68 0.35 2.08 -1.14 -4.51 119.36 110.96 1lml n ILE 147 Ca 0.03 -0.09 -0.43 0.00 0.56 0.00 0.00 62.75 62.82 1lml n ILE 147 Cb 0.46 -2.14 -0.01 0.00 -0.75 0.00 0.00 39.64 37.20 1lml n ILE 147 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1lml s LEU 148 N 3.41 4.09 1.00 1.39 2.96 -0.20 -4.91 118.68 126.44 1lml s LEU 148 Ca 0.85 -2.19 -0.12 0.00 -0.22 0.00 0.00 54.13 52.45 1lml s LEU 148 Cb -0.50 -2.52 0.19 0.00 0.50 0.00 0.00 46.19 43.86 1lml s LEU 148 CO 0.41 -1.19 1.09 0.42 -1.32 0.00 0.00 176.35 175.76 1lml s THR 149 N 3.81 2.08 0.33 3.68 -4.23 -1.26 -4.75 115.64 115.29 1lml s THR 149 Ca 0.47 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 1lml s THR 149 Cb 0.01 -2.51 0.24 0.00 1.34 0.00 0.00 72.50 71.58 1lml s THR 149 CO -0.01 -0.03 1.96 0.78 -0.54 0.00 0.00 174.62 176.78 1lml h ASN 150 N -1.91 0.77 -0.25 3.99 2.35 -1.99 -0.35 115.58 118.20 1lml h ASN 150 Ca -0.55 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1lml h ASN 150 Cb 1.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1lml h ASN 150 CO 0.57 0.61 0.04 -0.33 -1.65 0.00 0.00 177.43 176.67 1lml h GLU 151 N 0.89 0.41 -0.28 0.81 3.07 -1.99 -0.99 114.58 116.51 1lml h GLU 151 Ca 0.23 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 1lml h GLU 151 Cb -0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1lml h GLU 151 CO -0.04 0.54 -0.28 0.87 -1.40 0.00 0.00 179.01 178.70 1lml h LYS 152 N 0.22 0.55 -0.41 2.33 1.57 -1.83 -2.26 116.57 116.75 1lml h LYS 152 Ca 0.08 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1lml h LYS 152 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1lml h LYS 152 CO 0.00 0.78 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.35 1lml h ARG 153 N 0.48 0.81 -0.42 3.15 2.43 -0.91 -1.28 114.38 118.65 1lml h ARG 153 Ca 0.06 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1lml h ARG 153 Cb 0.73 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1lml h ARG 153 CO 0.06 0.96 0.10 -0.44 -1.51 0.00 0.00 179.97 179.14 1lml h ASP 154 N 0.71 0.63 -0.34 -3.80 5.19 -0.96 0.20 116.42 118.05 1lml h ASP 154 Ca 0.10 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 1lml h ASP 154 Cb 0.75 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1lml h ASP 154 CO 0.06 0.70 0.14 0.40 -3.12 0.00 0.00 179.24 177.42 1lml h ILE 155 N 0.54 1.18 0.49 0.35 2.04 -1.28 0.83 117.51 121.65 1lml h ILE 155 Ca 0.13 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1lml h ILE 155 Cb 0.32 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1lml h ILE 155 CO 0.00 0.20 -0.23 0.25 0.00 0.00 0.00 178.15 178.37 1lml h LEU 156 N 0.40 -0.55 -0.07 1.44 5.85 -1.08 0.88 115.31 122.18 1lml h LEU 156 Ca 0.11 -0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.55 1lml h LEU 156 Cb 0.18 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.36 1lml h LEU 156 CO -0.01 -0.31 -1.04 0.58 -0.34 0.00 0.00 178.44 177.32 1lml h VAL 157 N -0.77 1.38 0.00 1.05 2.07 -0.99 -0.94 116.25 118.05 1lml h VAL 157 Ca -0.07 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1lml h VAL 157 Cb 0.55 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1lml h VAL 157 CO 0.11 0.75 -1.10 0.29 0.02 0.00 0.00 177.57 177.65 1lml n LYS 158 N -3.73 0.47 0.08 1.57 5.02 0.28 -4.45 118.16 117.40 1lml n LYS 158 Ca -0.08 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1lml n LYS 158 Cb 0.89 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1lml n LYS 158 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1lml n HIS 159 N -2.33 -0.99 0.40 2.13 8.25 -0.55 -4.77 115.22 117.37 1lml n HIS 159 Ca 0.00 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.45 1lml n HIS 159 Cb 0.50 0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.79 1lml n HIS 159 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1lml h LEU 160 N 0.00 -1.14 0.08 2.41 5.85 -0.90 -1.31 115.31 120.30 1lml h LEU 160 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1lml h LEU 160 Cb 0.11 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1lml h LEU 160 CO 0.00 -0.70 -0.05 0.40 -0.34 0.00 0.00 178.44 177.75 1lml h ILE 161 N -1.11 0.88 -0.98 4.05 1.08 -1.40 -2.04 117.51 117.98 1lml h ILE 161 Ca -0.10 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1lml h ILE 161 Cb 0.89 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 35.45 1lml h ILE 161 CO 0.10 0.00 0.63 -0.65 -0.69 0.00 0.00 178.15 177.54 1lml h PRO 162 N -0.14 1.05 -0.28 2.37 0.11 -1.77 -0.27 132.00 133.06 1lml h PRO 162 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1lml h PRO 162 Cb 0.12 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1lml h PRO 162 CO 0.00 0.69 0.11 1.96 -0.21 0.00 0.00 178.00 180.55 1lml h GLN 163 N 1.08 0.43 -0.64 1.05 4.20 -0.98 -0.72 115.11 119.53 1lml h GLN 163 Ca 0.45 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 1lml h GLN 163 Cb 0.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1lml h GLN 163 CO -0.20 0.47 0.18 0.00 -0.67 0.00 0.00 178.83 178.61 1lml h ALA 164 N 0.95 0.84 -0.32 3.87 0.00 -0.92 -1.74 119.26 121.93 1lml h ALA 164 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1lml h ALA 164 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1lml h ALA 164 CO -0.01 0.53 0.10 0.28 0.00 0.00 0.00 179.25 180.15 1lml h VAL 165 N 0.93 1.20 -0.69 0.00 2.07 -0.95 -3.04 116.25 115.77 1lml h VAL 165 Ca 0.20 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1lml h VAL 165 Cb 0.32 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1lml h VAL 165 CO -0.00 0.22 0.31 -0.61 0.02 0.00 0.00 177.57 177.51 1lml h GLN 166 N 0.36 1.00 -0.50 1.57 4.15 -0.93 -0.58 115.11 120.18 1lml h GLN 166 Ca 0.10 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1lml h GLN 166 Cb 0.24 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1lml h GLN 166 CO -0.00 0.79 0.33 -0.07 -1.93 0.00 0.00 178.83 177.95 1lml h LEU 167 N 0.99 0.40 0.02 -2.39 3.38 -1.20 -1.34 115.31 115.17 1lml h LEU 167 Ca 0.24 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1lml h LEU 167 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1lml h LEU 167 CO -0.03 0.27 -0.32 0.45 0.09 0.00 0.00 178.44 178.90 1lml h HIS 168 N 0.46 0.09 0.00 1.13 3.86 -1.30 -3.32 115.15 116.08 1lml h HIS 168 Ca 0.21 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1lml h HIS 168 Cb 0.26 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1lml h HIS 168 CO -0.00 1.12 -0.08 1.79 0.86 0.00 0.00 177.93 181.63 1lml h THR 169 N -0.89 0.48 0.00 2.45 1.35 -0.94 0.12 112.91 115.48 1lml h THR 169 Ca -0.07 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1lml h THR 169 Cb 1.15 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1lml h THR 169 CO -0.00 0.07 -0.29 -1.84 -0.25 0.00 0.00 175.52 173.21 1lml n GLU 170 N -3.62 0.21 -0.01 4.72 0.28 -0.52 -4.06 120.64 117.65 1lml n GLU 170 Ca -0.02 0.12 0.03 0.00 -0.16 0.00 0.00 57.16 57.13 1lml n GLU 170 Cb 0.19 -1.69 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 1lml n GLU 170 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1lml n ARG 171 N -2.03 0.65 -4.36 3.44 1.74 -0.65 -4.82 116.66 110.62 1lml n ARG 171 Ca 0.05 -0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 1lml n ARG 171 Cb 0.41 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.48 1lml n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1lml s LEU 172 N -3.81 2.53 0.18 0.55 1.43 0.32 -0.82 118.68 119.07 1lml s LEU 172 Ca -0.04 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1lml s LEU 172 Cb 0.05 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1lml s LEU 172 CO 0.39 0.06 0.23 -0.54 0.23 0.00 0.00 176.35 176.71 1lml s LYS 173 N 0.98 3.17 0.03 1.70 1.02 0.05 -3.97 119.74 122.72 1lml s LYS 173 Ca -0.02 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.14 1lml s LYS 173 Cb -0.15 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1lml s LYS 173 CO -0.02 0.48 0.10 0.54 -0.92 0.00 0.00 175.35 175.53 1lml s VAL 174 N -1.82 0.12 -0.82 3.17 0.11 -0.38 -1.23 120.40 119.56 1lml s VAL 174 Ca 0.33 -0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 58.17 1lml s VAL 174 Cb -0.10 -0.73 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1lml s VAL 174 CO 0.26 -0.54 1.21 -1.10 -3.33 0.00 0.00 175.10 171.61 1lml s GLN 175 N -2.21 3.34 0.18 1.54 -0.21 -1.26 -0.57 119.66 120.46 1lml s GLN 175 Ca -0.08 -0.87 -0.32 0.00 0.02 0.00 0.00 55.36 54.11 1lml s GLN 175 Cb -0.03 -4.61 -0.16 0.00 1.00 0.00 0.00 33.01 29.20 1lml s GLN 175 CO -0.03 -2.01 1.02 1.04 -2.12 0.00 0.00 175.29 173.19 1lml n GLN 176 N 8.35 0.86 -2.25 2.91 6.02 -1.26 -4.29 117.38 127.73 1lml n GLN 176 Ca 0.12 0.31 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 1lml n GLN 176 Cb 0.49 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1lml n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1lml s VAL 177 N -0.45 3.57 -0.01 5.09 1.01 -1.26 -1.00 120.40 127.36 1lml s VAL 177 Ca 0.71 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.74 1lml s VAL 177 Cb -0.89 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1lml s VAL 177 CO 0.55 0.07 0.25 -1.10 0.00 0.00 0.00 175.10 174.86 1lml s GLN 178 N 1.30 3.55 1.40 2.72 -1.52 0.23 -4.68 119.66 122.66 1lml s GLN 178 Ca 0.63 -0.11 0.00 0.00 -1.95 0.00 0.00 55.36 53.93 1lml s GLN 178 Cb -0.34 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 1lml s GLN 178 CO 0.29 0.66 0.00 0.41 -0.25 0.00 0.00 175.29 176.41 1lml n GLY 179 N 1.17 -1.75 3.46 3.09 0.00 -1.26 -4.28 105.19 105.62 1lml n GLY 179 Ca -0.12 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1lml n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lml s LYS 180 N 0.00 2.22 0.02 1.61 2.20 -1.26 -4.18 119.74 120.35 1lml s LYS 180 Ca 0.00 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 1lml s LYS 180 Cb 0.00 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 1lml s LYS 180 CO 0.00 0.57 -0.06 1.67 -0.36 0.00 0.00 175.35 177.17 1lml s TRP 181 N -0.85 0.54 0.15 4.03 1.48 -0.76 -4.91 118.94 118.61 1lml s TRP 181 Ca 0.14 -0.26 -0.01 0.00 -1.06 0.00 0.00 56.10 54.90 1lml s TRP 181 Cb -0.11 -0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 31.82 1lml s TRP 181 CO 0.04 -0.04 0.33 0.15 -4.06 0.00 0.00 176.95 173.37 1lml s LYS 182 N -0.74 3.52 -0.37 3.25 1.02 -1.26 -0.43 119.74 124.74 1lml s LYS 182 Ca -0.03 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.45 1lml s LYS 182 Cb -0.05 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1lml s LYS 182 CO 0.00 0.48 0.56 0.08 -0.92 0.00 0.00 175.35 175.56 1lml s VAL 183 N -1.71 4.95 0.00 3.17 1.01 -0.65 -4.88 120.40 122.29 1lml s VAL 183 Ca 0.38 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1lml s VAL 183 Cb -0.12 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1lml s VAL 183 CO 0.27 -0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.42 1lml n THR 184 N 5.53 0.00 0.37 3.92 -2.24 -1.26 -4.12 114.28 116.49 1lml n THR 184 Ca -0.03 -0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1lml n THR 184 Cb 0.49 0.52 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 1lml n THR 184 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1lml n ASP 185 N -1.01 2.82 -3.67 3.42 9.92 -1.26 -4.66 116.55 122.11 1lml n ASP 185 Ca 0.00 -2.21 -0.41 0.00 -0.53 0.00 0.00 54.79 51.63 1lml n ASP 185 Cb 0.00 -0.41 -0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1lml n ASP 185 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1lml n MET 186 N 0.58 3.43 -4.23 -1.24 2.81 -1.26 -4.81 117.12 112.40 1lml n MET 186 Ca 0.15 -2.91 -0.14 0.00 -1.81 0.00 0.00 57.70 52.99 1lml n MET 186 Cb 0.53 -3.02 -0.09 0.00 -0.71 0.00 0.00 33.22 29.92 1lml n MET 186 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1lml s VAL 187 N 1.68 0.01 0.00 2.03 -7.23 -1.26 -4.07 120.40 111.56 1lml s VAL 187 Ca 0.49 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1lml s VAL 187 Cb 0.14 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1lml s VAL 187 CO -0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1lml n GLY 188 N -0.37 -0.22 3.75 2.32 0.00 -1.26 -3.37 105.19 106.04 1lml n GLY 188 Ca 0.04 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1lml n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lml s ASP 189 N -4.00 6.41 0.00 1.61 1.01 -1.26 -1.63 116.67 118.80 1lml s ASP 189 Ca 0.00 2.92 0.00 0.00 0.71 0.00 0.00 52.55 56.18 1lml s ASP 189 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1lml s ASP 189 CO 0.00 -0.89 0.00 -0.38 0.21 0.00 0.00 175.17 174.11 1lml n ILE 190 N 2.09 0.00 0.22 0.77 5.41 -1.26 -4.32 119.36 122.27 1lml n ILE 190 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.95 1lml n ILE 190 Cb 0.38 0.00 0.72 0.00 -0.71 0.00 0.00 39.64 40.03 1lml n ILE 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lml n GLY 192 N -1.50 -0.76 0.07 0.00 0.00 -0.65 -3.94 105.19 98.41 1lml n GLY 192 Ca -0.00 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1lml n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lml n ASP 193 N -0.77 0.69 -4.87 1.61 8.00 -0.78 -4.89 116.55 115.54 1lml n ASP 193 Ca 0.14 -0.48 -0.31 0.00 0.71 0.00 0.00 54.79 54.85 1lml n ASP 193 Cb 0.30 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1lml n ASP 193 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1lml s PHE 194 N -2.86 3.42 -0.62 1.24 0.40 -1.25 -4.91 117.98 113.39 1lml s PHE 194 Ca 0.14 1.02 -0.26 0.00 -0.60 0.00 0.00 56.93 57.23 1lml s PHE 194 Cb 0.18 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.35 1lml s PHE 194 CO 0.66 0.09 1.12 0.21 0.70 0.00 0.00 175.22 178.00 1lml s LYS 195 N -3.25 3.33 -0.32 0.44 2.20 -1.26 -5.00 119.74 115.88 1lml s LYS 195 Ca 0.51 -0.16 -0.09 0.00 -0.36 0.00 0.00 55.97 55.86 1lml s LYS 195 Cb -0.11 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1lml s LYS 195 CO 0.24 -1.76 0.15 0.08 -0.36 0.00 0.00 175.35 173.70 1lml s VAL 196 N 4.76 4.48 0.27 4.02 1.01 -1.26 -4.58 120.40 129.10 1lml s VAL 196 Ca 0.35 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1lml s VAL 196 Cb -0.10 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.79 1lml s VAL 196 CO 0.19 -0.01 1.08 -2.65 0.00 0.00 0.00 175.10 173.71 1lml n PRO 197 N 4.97 1.43 -0.00 2.72 -0.02 -1.26 -4.88 135.00 137.96 1lml n PRO 197 Ca -0.13 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1lml n PRO 197 Cb 0.48 -1.93 0.56 0.00 -0.02 0.00 0.00 33.50 32.59 1lml n PRO 197 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1lml h GLN 198 N 2.39 0.26 -0.22 -0.52 -0.00 -2.01 -1.14 115.11 113.87 1lml h GLN 198 Ca -0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1lml h GLN 198 Cb 1.33 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 1lml h GLN 198 CO 0.63 0.17 0.14 0.00 -0.00 0.00 0.00 178.83 179.77 1lml h ALA 199 N 1.76 1.83 -0.20 0.06 0.00 -1.97 0.18 119.26 120.92 1lml h ALA 199 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1lml h ALA 199 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1lml h ALA 199 CO -0.04 0.15 -0.30 0.45 0.00 0.00 0.00 179.25 179.51 1lml h HIS 200 N 0.29 0.45 0.00 0.00 3.86 -1.48 -0.05 115.15 118.23 1lml h HIS 200 Ca 0.08 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1lml h HIS 200 Cb -0.02 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1lml h HIS 200 CO 0.00 0.66 -0.24 0.82 0.86 0.00 0.00 177.93 180.03 1lml h ILE 201 N 0.35 0.34 -0.06 2.45 2.04 -1.32 -1.71 117.51 119.61 1lml h ILE 201 Ca 0.05 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.50 1lml h ILE 201 Cb 0.70 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1lml h ILE 201 CO 0.05 0.12 -0.45 0.71 0.00 0.00 0.00 178.15 178.58 1lml h THR 202 N -1.00 1.33 0.00 -0.27 1.35 -1.12 -3.40 112.91 109.80 1lml h THR 202 Ca -0.03 -1.60 -0.14 0.00 -0.55 0.00 0.00 66.41 64.09 1lml h THR 202 Cb 0.39 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1lml h THR 202 CO -0.02 0.47 -1.48 1.21 -0.25 0.00 0.00 175.52 175.45 1lml n GLU 203 N -3.99 0.19 0.00 4.72 4.07 -0.63 -5.07 120.64 119.93 1lml n GLU 203 Ca -0.02 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1lml n GLU 203 Cb 0.49 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 1lml n GLU 203 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1lml n GLY 204 N 2.69 -1.82 3.37 8.31 0.00 -0.13 -4.63 105.19 112.98 1lml n GLY 204 Ca -0.16 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1lml n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lml s PHE 205 N 0.00 2.30 0.05 1.61 0.40 0.43 -4.68 117.98 118.09 1lml s PHE 205 Ca 0.00 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1lml s PHE 205 Cb 0.00 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 1lml s PHE 205 CO 0.00 0.24 -0.20 -1.54 0.70 0.00 0.00 175.22 174.41 1lml s SER 206 N -1.68 2.44 -1.51 1.36 1.04 -1.26 -1.83 113.70 112.26 1lml s SER 206 Ca 0.13 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 1lml s SER 206 Cb -0.10 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1lml s SER 206 CO 0.04 0.14 0.72 0.59 0.98 0.00 0.00 173.24 175.71 1lml n ASN 207 N 1.72 -6.01 -3.97 7.02 3.02 -1.26 -4.98 115.26 110.80 1lml n ASN 207 Ca -0.18 -0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 53.83 1lml n ASN 207 Cb 0.53 -4.83 -0.15 0.00 -0.61 0.00 0.00 39.78 34.72 1lml n ASN 207 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1lml s THR 208 N -3.20 0.64 -0.05 3.41 2.01 -1.26 -4.89 115.64 112.31 1lml s THR 208 Ca 0.37 -0.28 0.17 0.00 0.31 0.00 0.00 61.69 62.26 1lml s THR 208 Cb -0.17 -0.59 -0.25 0.00 0.01 0.00 0.00 72.50 71.51 1lml s THR 208 CO 0.46 0.21 0.32 0.47 -0.69 0.00 0.00 174.62 175.39 1lml n ASP 209 N 3.35 1.11 -3.61 3.53 8.00 -0.33 -4.67 116.55 123.92 1lml n ASP 209 Ca -0.18 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 1lml n ASP 209 Cb 0.54 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 43.19 1lml n ASP 209 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1lml s PHE 210 N -3.04 -0.68 -0.06 1.24 5.36 -1.08 -4.77 117.98 114.95 1lml s PHE 210 Ca -0.07 1.51 0.06 0.00 -0.96 0.00 0.00 56.93 57.47 1lml s PHE 210 Cb 0.10 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 43.06 1lml s PHE 210 CO 0.70 -0.44 -0.24 0.08 -1.46 0.00 0.00 175.22 173.86 1lml s VAL 211 N -0.22 2.01 -0.18 3.12 1.01 -0.47 -1.04 120.40 124.63 1lml s VAL 211 Ca -0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1lml s VAL 211 Cb -0.03 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1lml s VAL 211 CO 0.04 0.56 -0.19 -0.32 0.00 0.00 0.00 175.10 175.19 1lml s MET 212 N -0.09 2.88 -0.19 2.72 1.75 0.29 -0.73 119.30 125.92 1lml s MET 212 Ca -0.05 -0.86 -0.14 0.00 -1.25 0.00 0.00 55.69 53.39 1lml s MET 212 Cb -0.14 -2.57 -0.04 0.00 2.84 0.00 0.00 34.83 34.92 1lml s MET 212 CO 0.04 -0.24 0.32 0.71 -0.65 0.00 0.00 175.02 175.20 1lml s TYR 213 N 1.29 3.40 -0.09 4.11 2.02 -0.16 -0.90 117.35 127.03 1lml s TYR 213 Ca 0.04 0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1lml s TYR 213 Cb -0.14 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 1lml s TYR 213 CO -0.12 0.10 -0.06 0.08 -1.57 0.00 0.00 175.55 173.98 1lml s VAL 214 N 0.93 3.75 0.15 0.71 1.01 -0.26 -0.94 120.40 125.75 1lml s VAL 214 Ca 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1lml s VAL 214 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1lml s VAL 214 CO 0.06 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1lml s ALA 215 N -0.56 1.18 -0.34 5.51 0.00 -0.42 -4.20 121.76 122.92 1lml s ALA 215 Ca 0.09 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1lml s ALA 215 Cb -0.12 0.55 0.14 0.00 0.00 0.00 0.00 23.12 23.69 1lml s ALA 215 CO 0.02 -0.34 0.29 0.45 0.00 0.00 0.00 175.76 176.17 1lml s SER 216 N -3.12 1.99 0.06 0.00 0.15 -1.26 -1.35 113.70 110.16 1lml s SER 216 Ca 0.22 -1.49 -0.00 0.00 0.70 0.00 0.00 55.95 55.37 1lml s SER 216 Cb 0.06 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1lml s SER 216 CO 0.02 -0.32 -0.04 0.68 1.20 0.00 0.00 173.24 174.78 1lml s VAL 217 N 1.65 0.30 0.71 4.45 -7.23 -1.26 -4.29 120.40 114.72 1lml s VAL 217 Ca 0.14 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 1lml s VAL 217 Cb -0.17 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1lml s VAL 217 CO -0.13 -0.95 1.25 -2.84 -0.31 0.00 0.00 175.10 172.12 1lml s PRO 218 N -3.76 2.23 0.00 4.82 0.02 -1.26 -4.05 135.00 133.00 1lml s PRO 218 Ca 0.07 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1lml s PRO 218 Cb 0.06 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1lml s PRO 218 CO -0.09 -1.81 0.00 0.45 -0.33 0.00 0.00 177.00 175.23 1lml n SER 219 N -2.43 0.00 -4.76 2.53 2.88 -1.26 -4.80 113.62 105.77 1lml n SER 219 Ca 0.15 -0.93 -0.33 0.00 -1.33 0.00 0.00 58.87 56.44 1lml n SER 219 Cb 0.49 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.02 1lml n SER 219 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1lml s GLU 220 N -1.78 2.51 0.29 -1.46 2.02 -1.26 -4.95 118.70 114.07 1lml s GLU 220 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 1lml s GLU 220 Cb 0.00 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.20 1lml s GLU 220 CO 0.00 -1.48 1.61 -1.21 0.02 0.00 0.00 175.26 174.19 1lml s GLU 221 N -4.26 4.12 0.00 1.61 0.41 -1.26 -2.09 118.70 117.22 1lml s GLU 221 Ca 0.67 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.82 1lml s GLU 221 Cb -0.21 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 1lml s GLU 221 CO 0.46 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 1lml n GLY 222 N 2.27 2.92 3.59 -1.39 0.00 -1.26 -5.00 105.19 106.32 1lml n GLY 222 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1lml n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lml s VAL 223 N -2.07 3.87 0.03 1.61 1.01 -0.89 -4.85 120.40 119.11 1lml s VAL 223 Ca 0.00 0.82 0.10 0.00 0.00 0.00 0.00 61.98 62.90 1lml s VAL 223 Cb 0.00 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1lml s VAL 223 CO 0.00 -1.01 1.37 -0.07 0.00 0.00 0.00 175.10 175.39 1lml h LEU 224 N 12.58 0.00 -7.00 3.92 3.38 -1.94 -3.43 115.31 122.81 1lml h LEU 224 Ca -0.27 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.93 1lml h LEU 224 Cb 1.09 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 1lml h LEU 224 CO 1.14 0.78 0.82 0.00 0.09 0.00 0.00 178.44 181.27 1lml s ALA 225 N -2.87 -2.07 -0.04 1.53 0.00 -1.26 -3.96 121.76 113.09 1lml s ALA 225 Ca 0.02 1.69 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 1lml s ALA 225 Cb 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1lml s ALA 225 CO 0.79 -0.46 0.19 1.67 0.00 0.00 0.00 175.76 177.95 1lml s TRP 226 N -1.86 -0.13 0.14 0.00 1.48 -0.74 -4.96 118.94 112.87 1lml s TRP 226 Ca 0.08 0.29 -0.10 0.00 -1.06 0.00 0.00 56.10 55.32 1lml s TRP 226 Cb -0.01 0.04 -0.00 0.00 -1.16 0.00 0.00 33.47 32.33 1lml s TRP 226 CO -0.05 -0.19 0.27 0.00 -4.06 0.00 0.00 176.95 172.92 1lml s ALA 227 N -0.51 -0.16 0.14 2.67 0.00 -1.26 -0.50 121.76 122.14 1lml s ALA 227 Ca -0.06 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1lml s ALA 227 Cb -0.04 0.73 0.07 0.00 0.00 0.00 0.00 23.12 23.87 1lml s ALA 227 CO 0.01 -0.61 0.75 -0.08 0.00 0.00 0.00 175.76 175.83 1lml s THR 228 N -3.92 0.00 -0.16 0.00 -1.32 -0.76 -4.73 115.64 104.75 1lml s THR 228 Ca 0.12 -0.30 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 1lml s THR 228 Cb 0.04 -1.35 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1lml s THR 228 CO -0.04 0.00 0.51 -0.89 -2.21 0.00 0.00 174.62 171.98 1lml s THR 229 N -3.57 5.14 -0.18 5.08 2.01 -1.26 -1.36 115.64 121.50 1lml s THR 229 Ca 0.06 0.97 0.20 0.00 0.31 0.00 0.00 61.69 63.22 1lml s THR 229 Cb -0.02 -3.84 -0.30 0.00 0.01 0.00 0.00 72.50 68.36 1lml s THR 229 CO -0.06 0.24 0.51 0.00 -0.69 0.00 0.00 174.62 174.63 1lml s GLN 231 N -3.30 0.75 0.12 0.00 0.74 -1.11 -4.68 119.66 112.18 1lml s GLN 231 Ca -0.05 0.39 0.08 0.00 0.05 0.00 0.00 55.36 55.83 1lml s GLN 231 Cb 0.13 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 1lml s GLN 231 CO 0.83 -0.17 -0.20 0.95 -0.55 0.00 0.00 175.29 176.16 1lml s THR 232 N -0.50 1.72 0.98 -0.34 -4.23 -1.26 -0.38 115.64 111.64 1lml s THR 232 Ca -0.06 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1lml s THR 232 Cb -0.03 -1.65 0.18 0.00 1.34 0.00 0.00 72.50 72.34 1lml s THR 232 CO 0.04 -0.17 1.14 -0.36 -0.54 0.00 0.00 174.62 174.73 1lml s PHE 233 N -1.52 2.06 0.60 3.99 0.08 0.51 -4.80 117.98 118.90 1lml s PHE 233 Ca 0.10 0.79 0.31 0.00 0.12 0.00 0.00 56.93 58.25 1lml s PHE 233 Cb -0.08 -3.43 1.89 0.00 -0.57 0.00 0.00 43.02 40.83 1lml s PHE 233 CO 0.05 -2.74 2.27 0.66 -0.10 0.00 0.00 175.22 175.36 1lml h SER 234 N -1.76 0.00 0.14 1.36 4.64 -1.92 -0.75 113.55 115.26 1lml h SER 234 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1lml h SER 234 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1lml h SER 234 CO 0.55 0.00 -0.04 -0.90 -0.87 0.00 0.00 176.83 175.57 1lml n ASP 235 N -3.75 0.60 0.00 4.97 5.68 -1.26 -4.92 116.55 117.87 1lml n ASP 235 Ca -0.03 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1lml n ASP 235 Cb 0.08 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1lml n ASP 235 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lml n GLY 236 N 1.16 0.80 3.77 6.12 0.00 -0.29 -5.05 105.19 111.70 1lml n GLY 236 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1lml n GLY 236 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lml s HIS 237 N -2.35 3.30 0.15 1.61 3.76 -1.26 -4.74 115.29 115.76 1lml s HIS 237 Ca 0.00 1.62 -0.34 0.00 -0.15 0.00 0.00 55.06 56.19 1lml s HIS 237 Cb 0.00 -3.32 -0.16 0.00 1.11 0.00 0.00 32.58 30.22 1lml s HIS 237 CO 0.00 -0.92 1.29 -2.30 -0.85 0.00 0.00 174.74 171.96 1lml n PRO 238 N 0.53 1.34 -0.01 8.40 -0.02 -1.26 -0.36 135.00 143.62 1lml n PRO 238 Ca 0.02 0.48 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1lml n PRO 238 Cb 0.46 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1lml n PRO 238 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lml n ALA 239 N 2.08 2.49 -3.07 3.55 0.00 0.49 -4.71 120.51 121.34 1lml n ALA 239 Ca 0.16 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 1lml n ALA 239 Cb 0.24 0.47 -0.16 0.00 0.00 0.00 0.00 19.45 20.00 1lml n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lml s VAL 240 N -2.04 1.08 0.12 0.00 1.01 -0.69 -1.37 120.40 118.51 1lml s VAL 240 Ca -0.03 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1lml s VAL 240 Cb 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1lml s VAL 240 CO 0.04 0.33 -0.14 -0.83 0.00 0.00 0.00 175.10 174.50 1lml s GLY 241 N 0.23 1.06 0.04 4.51 0.00 0.09 -0.52 107.32 112.73 1lml s GLY 241 Ca -0.06 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.44 1lml s GLY 241 CO 0.02 -1.34 -0.18 -1.34 0.00 0.00 0.00 173.10 170.25 1lml s VAL 242 N -2.14 1.45 -0.02 1.40 -7.23 -0.46 -0.98 120.40 112.41 1lml s VAL 242 Ca 0.09 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1lml s VAL 242 Cb -0.05 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1lml s VAL 242 CO 0.03 0.16 0.05 -0.51 -0.31 0.00 0.00 175.10 174.52 1lml s ILE 243 N -0.77 -0.02 -0.12 -0.62 2.07 -0.12 -1.84 121.20 119.78 1lml s ILE 243 Ca 0.05 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 1lml s ILE 243 Cb -0.08 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 1lml s ILE 243 CO 0.01 0.04 -0.17 0.21 -1.91 0.00 0.00 174.94 173.12 1lml s ASN 244 N 0.48 3.67 -0.39 4.50 3.04 0.35 -1.30 114.94 125.29 1lml s ASN 244 Ca -0.04 -0.41 0.02 0.00 0.04 0.00 0.00 52.86 52.47 1lml s ASN 244 Cb -0.05 -1.53 0.12 0.00 -1.54 0.00 0.00 41.25 38.24 1lml s ASN 244 CO -0.02 0.16 0.16 -0.63 -3.04 0.00 0.00 177.10 173.74 1lml s ILE 245 N 0.34 1.55 0.17 -5.21 1.01 -0.46 -1.79 121.20 116.81 1lml s ILE 245 Ca -0.14 -2.23 -0.33 0.00 0.00 0.00 0.00 60.65 57.95 1lml s ILE 245 Cb -0.17 -2.12 -0.15 0.00 0.01 0.00 0.00 42.46 40.03 1lml s ILE 245 CO 0.07 -0.75 1.33 -2.65 0.00 0.00 0.00 174.94 172.93 1lml n PRO 246 N 4.05 1.52 0.28 2.79 -0.02 -1.25 -4.39 135.00 137.97 1lml n PRO 246 Ca 0.04 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.21 1lml n PRO 246 Cb 0.38 -2.15 0.78 0.00 -0.02 0.00 0.00 33.50 32.48 1lml n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lml h ALA 247 N 4.23 1.16 -0.02 3.55 0.00 -1.81 -3.10 119.26 123.27 1lml h ALA 247 Ca -0.45 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1lml h ALA 247 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1lml h ALA 247 CO 0.76 0.11 0.03 0.00 0.00 0.00 0.00 179.25 180.15 1lml h ALA 248 N 1.92 1.36 -0.01 0.00 0.00 -1.76 -2.61 119.26 118.15 1lml h ALA 248 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lml h ALA 248 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1lml h ALA 248 CO 0.01 -0.04 -0.39 0.09 0.00 0.00 0.00 179.25 178.92 1lml n ASN 249 N -3.54 1.48 -4.62 0.00 3.02 -1.17 -4.92 115.26 105.51 1lml n ASN 249 Ca -0.03 -1.24 -0.43 0.00 -0.03 0.00 0.00 54.58 52.86 1lml n ASN 249 Cb 0.11 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1lml n ASN 249 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1lml s ILE 250 N -1.96 4.05 0.00 2.41 1.01 -0.99 -4.77 121.20 120.95 1lml s ILE 250 Ca 0.12 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1lml s ILE 250 Cb 0.13 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1lml s ILE 250 CO 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 174.94 174.74 1lml n ALA 251 N 8.12 1.71 -2.27 9.38 0.00 -1.26 -4.94 120.51 131.25 1lml n ALA 251 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1lml n ALA 251 Cb 0.47 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1lml n ALA 251 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lml s SER 252 N -2.65 0.18 0.05 0.00 1.04 -1.26 -5.07 113.70 105.99 1lml s SER 252 Ca 0.00 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.08 1lml s SER 252 Cb 0.00 0.37 -0.30 0.00 0.10 0.00 0.00 66.02 66.19 1lml s SER 252 CO 0.00 -0.83 1.05 0.03 0.98 0.00 0.00 173.24 174.48 1lml h ARG 253 N 2.67 0.33 -1.36 4.02 3.08 -2.00 -3.40 114.38 117.73 1lml h ARG 253 Ca -0.35 -0.57 -0.58 0.00 0.07 0.00 0.00 59.98 58.55 1lml h ARG 253 Cb 1.23 0.21 -0.42 0.00 0.08 0.00 0.00 29.97 31.08 1lml h ARG 253 CO 0.53 1.26 -0.71 0.66 -1.07 0.00 0.00 179.97 180.64 1lml n TYR 254 N -3.56 3.26 -2.81 3.04 4.01 -1.26 -4.65 117.16 115.19 1lml n TYR 254 Ca -0.12 -2.91 -0.43 0.00 -0.16 0.00 0.00 57.90 54.28 1lml n TYR 254 Cb 1.05 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1lml n TYR 254 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1lml s ASP 255 N -3.50 6.43 0.19 7.72 -1.08 -1.26 -4.60 116.67 120.56 1lml s ASP 255 Ca 0.49 -0.08 -0.12 0.00 -0.52 0.00 0.00 52.55 52.32 1lml s ASP 255 Cb 0.40 -2.45 0.22 0.00 -1.46 0.00 0.00 42.92 39.63 1lml s ASP 255 CO -0.14 -1.15 1.71 -0.61 0.52 0.00 0.00 175.17 175.50 1lml h GLN 256 N 9.20 0.24 -0.10 4.34 4.15 -1.86 -0.95 115.11 130.13 1lml h GLN 256 Ca -0.25 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.20 1lml h GLN 256 Cb 1.07 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.66 1lml h GLN 256 CO 1.06 0.16 -0.18 1.25 -1.93 0.00 0.00 178.83 179.19 1lml h LEU 257 N 0.25 -0.54 -0.39 -2.39 5.85 -1.88 -0.27 115.31 115.94 1lml h LEU 257 Ca 0.27 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 1lml h LEU 257 Cb 0.37 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1lml h LEU 257 CO -0.35 -0.23 0.06 0.58 -0.34 0.00 0.00 178.44 178.16 1lml h VAL 258 N -0.24 1.24 -0.66 1.05 2.07 -1.89 -1.38 116.25 116.45 1lml h VAL 258 Ca 0.09 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1lml h VAL 258 Cb 0.36 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1lml h VAL 258 CO -0.24 0.30 0.43 0.74 0.02 0.00 0.00 177.57 178.82 1lml h THR 259 N 0.50 1.16 0.00 2.57 2.02 -0.94 -1.16 112.91 117.05 1lml h THR 259 Ca 0.12 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1lml h THR 259 Cb 0.38 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1lml h THR 259 CO 0.01 0.16 -0.55 0.03 0.37 0.00 0.00 175.52 175.54 1lml h ARG 260 N 0.88 0.00 -0.29 6.66 2.47 -0.93 -1.07 114.38 122.09 1lml h ARG 260 Ca 0.24 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.81 1lml h ARG 260 Cb -0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1lml h ARG 260 CO -0.06 0.55 -0.44 0.28 0.56 0.00 0.00 179.97 180.86 1lml h VAL 261 N 0.00 1.29 -0.52 2.04 2.07 -0.72 0.29 116.25 120.70 1lml h VAL 261 Ca -0.01 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 1lml h VAL 261 Cb 0.97 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1lml h VAL 261 CO 0.07 0.52 -0.11 0.58 0.02 0.00 0.00 177.57 178.66 1lml h VAL 262 N 0.59 1.27 -0.48 2.57 2.07 -0.97 -0.56 116.25 120.74 1lml h VAL 262 Ca 0.04 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1lml h VAL 262 Cb 0.99 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1lml h VAL 262 CO 0.09 0.44 -0.03 0.74 0.02 0.00 0.00 177.57 178.83 1lml h THR 263 N 0.86 1.25 0.14 2.57 2.02 -0.95 -1.18 112.91 117.62 1lml h THR 263 Ca 0.13 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1lml h THR 263 Cb 0.67 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1lml h THR 263 CO 0.05 0.37 -0.12 -0.74 0.37 0.00 0.00 175.52 175.45 1lml h HIS 264 N 0.75 -0.31 -0.44 3.16 2.76 0.04 -1.33 115.15 119.78 1lml h HIS 264 Ca 0.14 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1lml h HIS 264 Cb 0.50 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 1lml h HIS 264 CO 0.03 -0.19 -0.03 0.93 -1.30 0.00 0.00 177.93 177.37 1lml h GLU 265 N -0.28 0.73 -0.51 5.26 4.39 -0.85 -2.44 114.58 120.88 1lml h GLU 265 Ca -0.00 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1lml h GLU 265 Cb 0.26 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1lml h GLU 265 CO -0.02 0.76 0.14 0.52 -1.16 0.00 0.00 179.01 179.25 1lml h MET 266 N 0.68 0.76 -0.91 2.33 2.86 -0.94 -1.77 114.93 117.94 1lml h MET 266 Ca 0.13 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1lml h MET 266 Cb 0.46 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1lml h MET 266 CO 0.02 0.68 0.60 0.00 1.06 0.00 0.00 176.91 179.27 1lml h ALA 267 N 1.41 1.40 -0.06 6.32 0.00 -0.76 0.28 119.26 127.85 1lml h ALA 267 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1lml h ALA 267 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1lml h ALA 267 CO -0.00 0.53 0.04 0.45 0.00 0.00 0.00 179.25 180.26 1lml h HIS 268 N 1.18 0.07 -0.10 0.00 -0.00 -1.16 -1.04 115.15 114.11 1lml h HIS 268 Ca 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1lml h HIS 268 Cb -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1lml h HIS 268 CO -0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 177.93 177.99 1lml h ALA 269 N 0.99 1.78 0.00 2.45 0.00 -1.00 -1.35 119.26 122.14 1lml h ALA 269 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lml h ALA 269 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1lml h ALA 269 CO -0.00 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1lml n LEU 270 N -4.43 0.00 0.00 0.00 4.77 0.03 -4.51 117.00 112.86 1lml n LEU 270 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1lml n LEU 270 Cb 0.16 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1lml n LEU 270 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1lml n GLY 271 N 1.02 0.74 3.51 -0.72 0.00 -0.51 -4.73 105.19 104.50 1lml n GLY 271 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1lml n GLY 271 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lml s PHE 272 N -1.72 3.13 0.12 1.61 2.19 -0.44 -4.71 117.98 118.16 1lml s PHE 272 Ca 0.00 -1.77 -0.20 0.00 0.33 0.00 0.00 56.93 55.29 1lml s PHE 272 Cb 0.00 -4.50 0.05 0.00 -1.31 0.00 0.00 43.02 37.26 1lml s PHE 272 CO 0.00 -1.59 0.50 -1.54 1.83 0.00 0.00 175.22 174.41 1lml s SER 273 N 3.58 -0.40 0.19 6.13 1.04 -1.26 -4.27 113.70 118.71 1lml s SER 273 Ca 0.46 -0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.63 1lml s SER 273 Cb -0.00 0.52 0.16 0.00 0.10 0.00 0.00 66.02 66.80 1lml s SER 273 CO 0.01 -0.86 1.62 1.23 0.98 0.00 0.00 173.24 176.22 1lml h GLY 274 N 2.35 0.20 0.15 7.32 0.00 -1.87 -1.67 103.07 109.54 1lml h GLY 274 Ca -0.33 0.27 0.14 0.00 0.00 0.00 0.00 47.33 47.41 1lml h GLY 274 CO 0.43 -0.22 0.31 -2.55 0.00 0.00 0.00 176.54 174.50 1lml h PRO 275 N -0.09 0.43 -0.17 4.80 0.11 -1.96 -0.95 132.00 134.18 1lml h PRO 275 Ca 0.25 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1lml h PRO 275 Cb 0.47 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1lml h PRO 275 CO -0.59 0.29 -0.52 0.74 -0.21 0.00 0.00 178.00 177.71 1lml h PHE 276 N 0.45 0.60 -0.41 0.65 0.04 -1.67 -1.65 116.94 114.94 1lml h PHE 276 Ca 0.42 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1lml h PHE 276 Cb 0.63 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1lml h PHE 276 CO -0.16 0.90 0.22 0.74 -0.60 0.00 0.00 178.31 179.40 1lml h PHE 277 N 0.38 0.58 -0.44 -0.55 0.04 -0.38 -0.50 116.94 116.06 1lml h PHE 277 Ca 0.01 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1lml h PHE 277 Cb 1.03 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1lml h PHE 277 CO 0.04 0.45 -0.19 0.93 -0.60 0.00 0.00 178.31 178.94 1lml h GLU 278 N 0.53 0.87 -0.59 1.51 5.08 -1.16 -1.70 114.58 119.13 1lml h GLU 278 Ca 0.14 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1lml h GLU 278 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1lml h GLU 278 CO -0.02 0.99 0.07 0.22 -1.00 0.00 0.00 179.01 179.26 1lml h ASP 279 N 0.76 0.93 0.86 1.42 3.58 -1.04 -1.91 116.42 121.02 1lml h ASP 279 Ca 0.11 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1lml h ASP 279 Cb 0.73 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1lml h ASP 279 CO 0.06 0.95 0.00 0.00 -2.88 0.00 0.00 179.24 177.37 1lml n ALA 280 N -2.47 2.37 -3.53 -0.78 0.00 -0.22 -4.93 120.51 110.95 1lml n ALA 280 Ca 0.04 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1lml n ALA 280 Cb 0.29 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.35 1lml n ALA 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1lml n ARG 281 N -1.43 -7.51 -0.29 0.00 5.12 -0.69 -4.92 116.66 106.94 1lml n ARG 281 Ca 0.09 0.80 0.07 0.00 -1.93 0.00 0.00 57.85 56.88 1lml n ARG 281 Cb 0.31 -5.75 0.20 0.00 -1.16 0.00 0.00 32.46 26.06 1lml n ARG 281 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1lml n ILE 282 N -4.80 1.50 -4.49 0.55 -5.35 -0.87 -4.95 119.36 100.94 1lml n ILE 282 Ca -0.03 -1.33 -0.25 0.00 -0.27 0.00 0.00 62.75 60.87 1lml n ILE 282 Cb 0.57 0.21 -0.13 0.00 -1.74 0.00 0.00 39.64 38.55 1lml n ILE 282 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lml s VAL 283 N -1.69 1.77 0.19 7.28 0.11 -1.26 -1.22 120.40 125.58 1lml s VAL 283 Ca 0.31 -1.40 -0.07 0.00 -2.93 0.00 0.00 61.98 57.89 1lml s VAL 283 Cb 0.21 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1lml s VAL 283 CO 0.13 0.10 0.27 0.00 -3.33 0.00 0.00 175.10 172.27 1lml s ALA 284 N -0.97 0.32 -0.19 1.54 0.00 0.24 -4.91 121.76 117.78 1lml s ALA 284 Ca 0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1lml s ALA 284 Cb -0.09 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1lml s ALA 284 CO 0.03 -0.67 -0.06 -0.80 0.00 0.00 0.00 175.76 174.26 1lml s ASN 285 N -3.04 4.30 -0.13 0.00 0.01 -1.26 -0.67 114.94 114.16 1lml s ASN 285 Ca 0.25 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.07 1lml s ASN 285 Cb 0.04 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1lml s ASN 285 CO 0.05 0.05 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.84 1lml s VAL 286 N 1.05 2.66 0.54 1.60 1.01 -0.39 -4.87 120.40 122.00 1lml s VAL 286 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1lml s VAL 286 Cb -0.15 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1lml s VAL 286 CO -0.00 0.53 0.84 -2.16 0.00 0.00 0.00 175.10 174.30 1lml s PRO 287 N 0.50 3.07 -1.55 2.72 0.04 -1.26 -1.81 135.00 136.72 1lml s PRO 287 Ca -0.11 -0.05 -0.02 0.00 0.04 0.00 0.00 61.00 60.86 1lml s PRO 287 Cb -0.16 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1lml s PRO 287 CO 0.05 -0.53 0.20 0.09 0.04 0.00 0.00 177.00 176.85 1lml n ASN 288 N -2.43 -5.42 -4.59 6.66 4.13 -1.15 -4.92 115.26 107.54 1lml n ASN 288 Ca 0.03 -0.07 -0.42 0.00 1.68 0.00 0.00 54.58 55.80 1lml n ASN 288 Cb 0.57 -4.49 -0.02 0.00 -1.54 0.00 0.00 39.78 34.30 1lml n ASN 288 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1lml s VAL 289 N -2.99 3.77 -1.41 2.41 1.01 -1.26 -3.16 120.40 118.77 1lml s VAL 289 Ca 0.11 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 1lml s VAL 289 Cb -0.05 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1lml s VAL 289 CO 0.13 -0.87 1.10 0.54 0.00 0.00 0.00 175.10 176.01 1lml n ARG 290 N 8.41 -7.20 -0.75 2.72 1.74 -1.26 -2.29 116.66 118.02 1lml n ARG 290 Ca 0.16 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1lml n ARG 290 Cb 0.49 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 1lml n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lml n GLY 291 N -1.91 1.03 3.71 -0.13 0.00 -1.19 -4.89 105.19 101.82 1lml n GLY 291 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1lml n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lml s LYS 292 N -0.18 4.19 -0.04 1.61 1.02 -0.97 -4.78 119.74 120.58 1lml s LYS 292 Ca 0.00 2.41 0.03 0.00 0.02 0.00 0.00 55.97 58.43 1lml s LYS 292 Cb 0.00 -3.26 0.16 0.00 -0.52 0.00 0.00 37.83 34.21 1lml s LYS 292 CO 0.00 -0.67 0.77 0.27 -0.92 0.00 0.00 175.35 174.79 1lml n ASN 293 N 4.40 1.88 -4.13 2.83 6.94 -1.26 -2.91 115.26 123.01 1lml n ASN 293 Ca 0.15 -2.17 -0.09 0.00 -0.02 0.00 0.00 54.58 52.45 1lml n ASN 293 Cb 0.38 -0.51 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 1lml n ASN 293 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1lml s PHE 294 N -1.37 0.71 0.28 -2.53 -0.71 -1.26 -4.98 117.98 108.12 1lml s PHE 294 Ca 0.11 -1.08 -0.28 0.00 -1.04 0.00 0.00 56.93 54.63 1lml s PHE 294 Cb 0.08 -0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 41.34 1lml s PHE 294 CO 0.03 -0.36 0.94 -0.51 -1.34 0.00 0.00 175.22 173.99 1lml s ASP 295 N -2.99 7.51 0.05 1.98 1.01 -1.26 -4.22 116.67 118.76 1lml s ASP 295 Ca 0.13 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.37 1lml s ASP 295 Cb 0.07 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1lml s ASP 295 CO -0.05 0.06 -0.20 0.68 0.21 0.00 0.00 175.17 175.86 1lml s VAL 296 N -1.37 1.65 0.23 -1.27 -7.23 -0.75 -4.91 120.40 106.76 1lml s VAL 296 Ca 0.45 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 1lml s VAL 296 Cb -0.23 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 1lml s VAL 296 CO 0.29 0.15 1.14 -2.16 -0.31 0.00 0.00 175.10 174.20 1lml s PRO 297 N -1.32 4.57 0.03 4.82 0.04 -1.26 -1.26 135.00 140.62 1lml s PRO 297 Ca 0.07 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 1lml s PRO 297 Cb -0.09 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1lml s PRO 297 CO 0.02 0.07 0.06 0.14 0.04 0.00 0.00 177.00 177.33 1lml s VAL 298 N -0.63 0.12 -0.24 -0.36 -7.23 0.16 -1.59 120.40 110.63 1lml s VAL 298 Ca 0.48 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 1lml s VAL 298 Cb -0.32 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 1lml s VAL 298 CO 0.39 -0.56 0.22 -0.63 -0.31 0.00 0.00 175.10 174.21 1lml s ILE 299 N -2.17 5.32 -0.87 -0.62 1.01 0.55 -0.59 121.20 123.83 1lml s ILE 299 Ca -0.09 0.29 0.13 0.00 0.00 0.00 0.00 60.65 60.98 1lml s ILE 299 Cb -0.04 -3.55 0.40 0.00 0.01 0.00 0.00 42.46 39.27 1lml s ILE 299 CO -0.03 0.31 1.33 -0.46 0.00 0.00 0.00 174.94 176.09 1lml n ASN 300 N 4.44 3.29 -4.79 3.58 6.94 -0.35 -1.38 115.26 126.99 1lml n ASN 300 Ca -0.13 -2.22 -0.34 0.00 -0.02 0.00 0.00 54.58 51.87 1lml n ASN 300 Cb 0.52 -0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 37.59 1lml n ASN 300 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1lml s SER 301 N -1.17 6.06 0.14 0.53 1.04 -1.25 -4.89 113.70 114.16 1lml s SER 301 Ca 0.30 2.03 -0.30 0.00 0.48 0.00 0.00 55.95 58.46 1lml s SER 301 Cb 0.18 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 1lml s SER 301 CO 0.16 -0.98 1.56 0.28 0.98 0.00 0.00 173.24 175.24 1lml h SER 302 N 1.36 -1.58 -0.55 7.02 0.02 -1.97 -1.56 113.55 116.29 1lml h SER 302 Ca -0.50 0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1lml h SER 302 Cb 1.24 0.66 -0.02 0.00 0.14 0.00 0.00 62.40 64.41 1lml h SER 302 CO 0.58 -0.41 0.20 0.74 -1.14 0.00 0.00 176.83 176.80 1lml h THR 303 N -0.42 1.23 -0.61 -2.27 2.02 -1.94 -1.03 112.91 109.89 1lml h THR 303 Ca 0.09 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1lml h THR 303 Cb 0.61 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1lml h THR 303 CO -0.53 0.28 0.30 0.00 0.37 0.00 0.00 175.52 175.93 1lml h ALA 304 N 1.05 0.79 -0.39 6.16 0.00 -1.71 -0.86 119.26 124.30 1lml h ALA 304 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1lml h ALA 304 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1lml h ALA 304 CO -0.01 0.34 -0.01 0.28 0.00 0.00 0.00 179.25 179.86 1lml h VAL 305 N 0.83 1.26 -0.54 0.00 2.07 -1.16 -0.32 116.25 118.39 1lml h VAL 305 Ca 0.21 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1lml h VAL 305 Cb 0.11 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1lml h VAL 305 CO -0.03 0.34 0.35 0.00 0.02 0.00 0.00 177.57 178.25 1lml h ALA 306 N 0.88 0.69 -0.05 1.67 0.00 -0.88 -0.51 119.26 121.05 1lml h ALA 306 Ca 0.11 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1lml h ALA 306 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1lml h ALA 306 CO 0.02 0.14 -0.59 0.87 0.00 0.00 0.00 179.25 179.69 1lml h LYS 307 N 0.73 0.15 -0.54 0.00 1.79 -1.09 -2.63 116.57 114.98 1lml h LYS 307 Ca 0.20 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 1lml h LYS 307 Cb -0.06 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1lml h LYS 307 CO -0.04 0.70 -0.04 0.00 -1.08 0.00 0.00 179.45 178.99 1lml h ALA 308 N 1.28 0.73 -0.71 3.86 0.00 -0.60 -1.50 119.26 122.32 1lml h ALA 308 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1lml h ALA 308 Cb 1.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1lml h ALA 308 CO 0.09 0.59 0.45 0.00 0.00 0.00 0.00 179.25 180.38 1lml h ARG 309 N 0.86 0.86 0.03 0.00 3.08 -0.92 -2.00 114.38 116.29 1lml h ARG 309 Ca 0.15 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1lml h ARG 309 Cb 0.59 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1lml h ARG 309 CO 0.04 0.57 -0.01 0.93 -1.07 0.00 0.00 179.97 180.42 1lml h GLU 310 N 0.89 -0.03 0.25 0.04 5.08 -1.21 0.21 114.58 119.81 1lml h GLU 310 Ca 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1lml h GLU 310 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1lml h GLU 310 CO -0.10 0.19 -0.38 0.37 -1.00 0.00 0.00 179.01 178.09 1lml h GLN 311 N -0.25 -0.67 -0.00 2.33 5.75 -1.02 -2.99 115.11 118.25 1lml h GLN 311 Ca -0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1lml h GLN 311 Cb 0.24 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1lml h GLN 311 CO 0.01 -0.45 -0.19 0.66 -2.65 0.00 0.00 178.83 176.21 1lml n TYR 312 N -5.46 0.00 -2.93 3.99 4.01 -0.77 -0.84 117.16 115.15 1lml n TYR 312 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 1lml n TYR 312 Cb 0.37 -0.36 0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1lml n TYR 312 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lml n GLY 313 N 1.46 -0.24 2.58 2.72 0.00 -0.02 -0.41 105.19 111.29 1lml n GLY 313 Ca 0.08 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1lml n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml h ASP 315 N 8.40 0.00 -0.15 0.00 3.32 -1.96 -3.02 116.42 123.01 1lml h ASP 315 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1lml h ASP 315 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1lml h ASP 315 CO 0.39 0.07 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 1lml n THR 316 N -3.23 0.18 -1.90 0.35 -2.24 -1.26 -4.94 114.28 101.24 1lml n THR 316 Ca -0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1lml n THR 316 Cb 0.31 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1lml n THR 316 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1lml s LEU 317 N -1.70 4.37 0.00 3.22 2.96 -1.14 -4.92 118.68 121.46 1lml s LEU 317 Ca 0.34 2.72 0.10 0.00 -0.22 0.00 0.00 54.13 57.07 1lml s LEU 317 Cb 0.19 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.35 1lml s LEU 317 CO 0.29 -0.83 0.80 -0.62 -1.32 0.00 0.00 176.35 174.67 1lml n GLU 318 N 3.29 0.39 -3.72 1.98 -0.58 -1.26 -4.92 120.64 115.82 1lml n GLU 318 Ca 0.12 -1.07 -0.06 0.00 -0.42 0.00 0.00 57.16 55.73 1lml n GLU 318 Cb 0.38 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 30.05 1lml n GLU 318 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1lml s TYR 319 N -0.82 -0.23 -0.17 -0.32 -0.85 -1.26 -4.76 117.35 108.93 1lml s TYR 319 Ca 0.11 -0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1lml s TYR 319 Cb 0.08 0.64 0.03 0.00 0.38 0.00 0.00 41.96 43.09 1lml s TYR 319 CO 0.12 -0.93 -0.16 -1.17 -1.52 0.00 0.00 175.55 171.89 1lml s LEU 320 N -2.85 2.06 0.17 -3.49 2.96 -0.48 -4.95 118.68 112.10 1lml s LEU 320 Ca 0.10 -0.66 -0.31 0.00 -0.22 0.00 0.00 54.13 53.04 1lml s LEU 320 Cb -0.03 -1.35 -0.09 0.00 0.50 0.00 0.00 46.19 45.22 1lml s LEU 320 CO 0.00 -0.05 1.44 -1.61 -1.32 0.00 0.00 176.35 174.82 1lml s GLU 321 N 1.36 4.29 0.11 1.98 2.02 -1.26 -0.33 118.70 126.87 1lml s GLU 321 Ca 0.04 2.20 -0.01 0.00 0.02 0.00 0.00 54.97 57.22 1lml s GLU 321 Cb -0.14 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1lml s GLU 321 CO -0.11 -0.45 0.29 0.08 0.02 0.00 0.00 175.26 175.08 1lml s VAL 322 N 0.73 5.30 0.21 2.63 1.01 -0.62 -1.56 120.40 128.11 1lml s VAL 322 Ca 0.64 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.95 1lml s VAL 322 Cb -0.40 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1lml s VAL 322 CO 0.34 0.03 1.63 1.21 0.00 0.00 0.00 175.10 178.31 1lml n GLU 323 N -0.04 2.49 -0.00 2.72 4.07 0.12 -4.38 120.64 125.62 1lml n GLU 323 Ca -0.05 0.89 0.06 0.00 -0.06 0.00 0.00 57.16 58.00 1lml n GLU 323 Cb 0.52 -2.69 -0.08 0.00 -0.06 0.00 0.00 31.44 29.13 1lml n GLU 323 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1lml n ASP 324 N 3.38 1.41 -4.96 4.31 5.75 -1.26 -0.50 116.55 124.69 1lml n ASP 324 Ca 0.15 -0.39 -0.19 0.00 -0.01 0.00 0.00 54.79 54.35 1lml n ASP 324 Cb 0.33 1.26 -0.01 0.00 -1.03 0.00 0.00 41.12 41.67 1lml n ASP 324 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1lml s GLN 325 N -2.43 2.75 0.00 0.11 -1.52 -1.26 -4.73 119.66 112.58 1lml s GLN 325 Ca 0.00 -1.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.08 1lml s GLN 325 Cb 0.08 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 1lml s GLN 325 CO 0.47 -0.20 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 1lml n GLY 326 N -1.71 2.86 0.00 3.09 0.00 -1.26 -2.84 105.19 105.33 1lml n GLY 326 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1lml n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lml n GLY 327 N 0.00 -0.81 0.32 -0.02 0.00 -1.26 -4.58 105.19 98.84 1lml n GLY 327 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1lml n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml h ALA 328 N 0.00 1.15 0.00 4.61 0.00 -1.94 -0.71 119.26 122.37 1lml h ALA 328 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lml h ALA 328 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1lml h ALA 328 CO 0.00 0.28 -0.14 0.41 0.00 0.00 0.00 179.25 179.79 1lml n GLY 329 N -1.33 -1.59 0.63 0.00 0.00 -1.26 -4.50 105.19 97.13 1lml n GLY 329 Ca 0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1lml n GLY 329 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lml n SER 330 N -2.05 1.14 -4.77 1.61 7.64 -1.07 -4.91 113.62 111.21 1lml n SER 330 Ca 0.05 0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.72 1lml n SER 330 Cb 0.41 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1lml n SER 330 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lml s ALA 331 N -2.30 3.37 0.00 -0.43 0.00 -0.29 -3.27 121.76 118.83 1lml s ALA 331 Ca -0.15 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1lml s ALA 331 Cb 0.04 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1lml s ALA 331 CO 0.20 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1lml n GLY 332 N 0.60 2.95 0.04 0.00 0.00 0.35 -4.79 105.19 104.34 1lml n GLY 332 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1lml n GLY 332 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lml n SER 333 N 0.00 2.14 -4.07 1.61 7.64 -1.20 -3.28 113.62 116.46 1lml n SER 333 Ca 0.00 -2.33 -0.09 0.00 1.01 0.00 0.00 58.87 57.45 1lml n SER 333 Cb 0.00 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 1lml n SER 333 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1lml s HIS 334 N -1.57 0.67 0.25 1.43 4.02 -1.25 -4.72 115.29 114.12 1lml s HIS 334 Ca 0.10 -1.05 -0.26 0.00 1.02 0.00 0.00 55.06 54.88 1lml s HIS 334 Cb 0.09 -0.32 -0.09 0.00 -1.02 0.00 0.00 32.58 31.24 1lml s HIS 334 CO 0.01 -0.58 0.87 0.42 1.02 0.00 0.00 174.74 176.48 1lml s ILE 335 N -4.01 4.28 -0.19 0.60 1.01 -0.63 -0.70 121.20 121.55 1lml s ILE 335 Ca 0.20 1.76 -0.34 0.00 0.00 0.00 0.00 60.65 62.27 1lml s ILE 335 Cb 0.06 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 1lml s ILE 335 CO 0.00 0.31 1.99 1.17 0.00 0.00 0.00 174.94 178.41 1lml n LYS 336 N 0.99 1.76 -0.13 2.79 3.00 -0.60 -4.14 118.16 121.83 1lml n LYS 336 Ca -0.01 0.60 0.05 0.00 -0.00 0.00 0.00 58.31 58.94 1lml n LYS 336 Cb 0.49 -2.61 0.36 0.00 0.00 0.00 0.00 35.03 33.27 1lml n LYS 336 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1lml h MET 337 N 10.57 0.71 -0.99 1.64 1.85 -1.83 -2.28 114.93 124.61 1lml h MET 337 Ca -0.42 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 58.77 1lml h MET 337 Cb 1.29 -0.16 -0.09 0.00 0.43 0.00 0.00 31.60 33.07 1lml h MET 337 CO 0.97 0.47 0.62 -0.09 -0.40 0.00 0.00 176.91 178.48 1lml h ARG 338 N 0.73 0.87 0.00 0.39 2.43 -1.72 0.11 114.38 117.19 1lml h ARG 338 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1lml h ARG 338 Cb 0.12 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1lml h ARG 338 CO -0.07 0.58 -0.78 0.09 -1.51 0.00 0.00 179.97 178.27 1lml n ASN 339 N -4.64 0.63 -2.90 -3.80 3.02 -0.90 -4.56 115.26 102.12 1lml n ASN 339 Ca 0.20 -0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.47 1lml n ASN 339 Cb 0.42 0.49 0.04 0.00 -0.61 0.00 0.00 39.78 40.11 1lml n ASN 339 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lml n ALA 340 N -1.74 0.15 -0.27 5.41 0.00 -0.79 -4.72 120.51 118.54 1lml n ALA 340 Ca 0.03 -2.15 0.02 0.00 0.00 0.00 0.00 53.44 51.34 1lml n ALA 340 Cb 0.41 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.91 1lml n ALA 340 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1lml h GLN 341 N 3.25 0.70 -0.66 0.00 4.15 -1.24 -2.60 115.11 118.71 1lml h GLN 341 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1lml h GLN 341 Cb 1.03 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1lml h GLN 341 CO 0.29 0.46 0.00 -0.25 -1.93 0.00 0.00 178.83 177.41 1lml n ASP 342 N -4.78 4.07 -4.84 -0.69 8.00 -1.26 -4.54 116.55 112.51 1lml n ASP 342 Ca 0.12 -2.52 -0.33 0.00 0.71 0.00 0.00 54.79 52.77 1lml n ASP 342 Cb 0.26 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1lml n ASP 342 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1lml s GLU 343 N -2.05 4.06 0.19 -1.24 -6.30 -0.98 -0.61 118.70 111.77 1lml s GLU 343 Ca 0.38 0.79 -0.14 0.00 -2.50 0.00 0.00 54.97 53.51 1lml s GLU 343 Cb 0.27 -2.36 0.19 0.00 0.00 0.00 0.00 34.13 32.24 1lml s GLU 343 CO 0.14 0.10 1.66 1.25 0.02 0.00 0.00 175.26 178.42 1lml h LEU 344 N 2.12 -0.39 -2.62 2.70 5.85 -0.67 -2.42 115.31 119.89 1lml h LEU 344 Ca -0.48 0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1lml h LEU 344 Cb 1.18 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 1lml h LEU 344 CO 0.64 -0.14 0.17 0.23 -0.34 0.00 0.00 178.44 179.00 1lml n MET 345 N -5.32 2.24 -2.01 1.25 2.81 -1.26 -4.79 117.12 110.04 1lml n MET 345 Ca 0.06 -1.50 -0.33 0.00 -1.81 0.00 0.00 57.70 54.12 1lml n MET 345 Cb 0.29 -1.72 0.02 0.00 -0.71 0.00 0.00 33.22 31.09 1lml n MET 345 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lml s ALA 346 N -1.73 2.67 -0.21 3.04 0.00 -0.91 -1.61 121.76 123.01 1lml s ALA 346 Ca 0.27 0.47 0.28 0.00 0.00 0.00 0.00 51.96 52.98 1lml s ALA 346 Cb 0.22 -3.26 1.20 0.00 0.00 0.00 0.00 23.12 21.27 1lml s ALA 346 CO 0.06 -0.91 1.83 -1.00 0.00 0.00 0.00 175.76 175.75 1lml h PRO 347 N 0.43 0.00 -5.44 0.00 0.13 -1.92 -3.43 132.00 121.78 1lml h PRO 347 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1lml h PRO 347 Cb 1.23 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 1lml h PRO 347 CO 0.57 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 177.54 1lml s ALA 348 N -3.49 1.26 -0.05 -0.56 0.00 -1.26 -5.04 121.76 112.62 1lml s ALA 348 Ca 0.02 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1lml s ALA 348 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1lml s ALA 348 CO 0.43 0.23 1.33 0.00 0.00 0.00 0.00 175.76 177.75 1lml s ALA 349 N -0.98 3.57 0.00 0.00 0.00 -1.26 -4.96 121.76 118.13 1lml s ALA 349 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1lml s ALA 349 Cb -0.09 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1lml s ALA 349 CO 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 175.76 174.83 1lml n ALA 350 N 5.65 0.00 -0.11 0.00 0.00 -1.26 -5.01 120.51 119.78 1lml n ALA 350 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1lml n ALA 350 Cb 0.45 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.05 1lml n ALA 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lml h ALA 351 N 1.00 1.09 -1.76 0.00 0.00 -1.82 -3.45 119.26 114.32 1lml h ALA 351 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1lml h ALA 351 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1lml h ALA 351 CO 0.00 0.58 -0.23 0.41 0.00 0.00 0.00 179.25 180.01 1lml n GLY 352 N -0.63 0.14 3.72 0.00 0.00 -0.98 -4.83 105.19 102.61 1lml n GLY 352 Ca 0.03 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1lml n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lml s TYR 353 N -2.65 3.10 -1.16 1.61 2.02 0.22 -3.97 117.35 116.51 1lml s TYR 353 Ca 0.08 0.74 -0.17 0.00 -0.37 0.00 0.00 57.07 57.35 1lml s TYR 353 Cb -0.03 -3.86 0.13 0.00 -0.40 0.00 0.00 41.96 37.79 1lml s TYR 353 CO 0.10 -3.11 1.45 -0.47 -1.57 0.00 0.00 175.55 171.94 1lml s TYR 354 N 1.01 3.16 0.78 2.71 6.14 -1.26 -0.14 117.35 129.75 1lml s TYR 354 Ca 0.68 -1.75 -0.04 0.00 0.64 0.00 0.00 57.07 56.59 1lml s TYR 354 Cb -0.42 -4.45 0.15 0.00 0.42 0.00 0.00 41.96 37.65 1lml s TYR 354 CO 0.32 -1.56 1.07 0.95 0.64 0.00 0.00 175.55 176.97 1lml s THR 355 N 2.75 2.09 -0.04 4.34 -4.23 -1.26 -1.19 115.64 118.10 1lml s THR 355 Ca 0.44 -0.46 0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1lml s THR 355 Cb -0.01 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1lml s THR 355 CO -0.01 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 175.97 1lml h ALA 356 N -0.79 1.00 0.35 3.99 0.00 -1.91 -2.95 119.26 118.95 1lml h ALA 356 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1lml h ALA 356 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1lml h ALA 356 CO 0.39 0.00 -0.17 -0.07 0.00 0.00 0.00 179.25 179.40 1lml h LEU 357 N 0.00 -0.40 -0.83 0.00 3.38 -1.93 0.98 115.31 116.52 1lml h LEU 357 Ca 0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1lml h LEU 357 Cb 0.23 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1lml h LEU 357 CO 0.00 -0.05 0.18 0.74 0.09 0.00 0.00 178.44 179.41 1lml h THR 358 N -0.79 1.25 -0.61 0.22 2.02 -1.93 -2.25 112.91 110.83 1lml h THR 358 Ca -0.05 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1lml h THR 358 Cb 0.52 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1lml h THR 358 CO 0.08 0.35 0.22 0.24 0.37 0.00 0.00 175.52 176.78 1lml h MET 359 N 1.01 0.92 -0.66 6.66 2.86 -1.52 -1.59 114.93 122.62 1lml h MET 359 Ca 0.22 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1lml h MET 359 Cb 0.33 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1lml h MET 359 CO -0.00 0.80 0.35 0.00 1.06 0.00 0.00 176.91 179.12 1lml h ALA 360 N 1.08 0.84 -0.46 6.32 0.00 -0.54 -1.56 119.26 124.94 1lml h ALA 360 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1lml h ALA 360 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1lml h ALA 360 CO -0.01 0.37 0.18 0.82 0.00 0.00 0.00 179.25 180.60 1lml h ILE 361 N 0.90 1.21 -0.92 0.00 2.04 -1.18 -0.75 117.51 118.81 1lml h ILE 361 Ca 0.23 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1lml h ILE 361 Cb 0.06 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1lml h ILE 361 CO -0.04 0.24 0.60 -0.26 0.00 0.00 0.00 178.15 178.70 1lml h PHE 362 N 0.60 1.13 -0.24 1.37 0.04 -0.97 -2.21 116.94 116.67 1lml h PHE 362 Ca 0.15 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.78 1lml h PHE 362 Cb 0.21 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1lml h PHE 362 CO 0.00 0.68 -0.55 0.37 -0.60 0.00 0.00 178.31 178.22 1lml h GLN 363 N 1.19 0.71 0.00 1.51 4.15 -0.97 -3.06 115.11 118.63 1lml h GLN 363 Ca 0.35 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1lml h GLN 363 Cb -0.05 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1lml h GLN 363 CO -0.09 1.07 0.00 -0.44 -1.93 0.00 0.00 178.83 177.43 1lml h ASP 364 N 0.54 0.00 1.37 -0.69 3.32 -0.55 -1.00 116.42 119.41 1lml h ASP 364 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1lml h ASP 364 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1lml h ASP 364 CO 0.11 0.00 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.46 1lml h LEU 365 N 0.00 0.00 0.00 1.55 3.38 -1.33 -3.47 115.31 115.44 1lml h LEU 365 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lml h LEU 365 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lml h LEU 365 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1lml n GLY 366 N 0.53 1.08 0.12 0.83 0.00 -0.38 -4.91 105.19 102.46 1lml n GLY 366 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1lml n GLY 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1lml h PHE 367 N 0.00 0.43 -4.35 1.61 0.04 -1.79 -3.48 116.94 109.40 1lml h PHE 367 Ca 0.00 -0.27 -0.32 0.00 2.80 0.00 0.00 57.97 60.18 1lml h PHE 367 Cb 0.00 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 37.97 1lml h PHE 367 CO 0.00 1.14 -0.59 0.71 -0.60 0.00 0.00 178.31 178.97 1lml s TYR 368 N -2.96 1.38 -0.13 -0.55 2.02 -1.24 -4.61 117.35 111.25 1lml s TYR 368 Ca -0.04 -1.37 0.00 0.00 -0.37 0.00 0.00 57.07 55.30 1lml s TYR 368 Cb 0.09 -0.70 0.02 0.00 -0.40 0.00 0.00 41.96 40.97 1lml s TYR 368 CO 0.86 -0.59 -0.12 -1.14 -1.57 0.00 0.00 175.55 172.99 1lml s GLN 369 N -4.00 2.05 0.39 -0.62 0.74 -0.36 -4.10 119.66 113.75 1lml s GLN 369 Ca 0.38 -0.47 -0.23 0.00 0.05 0.00 0.00 55.36 55.10 1lml s GLN 369 Cb 0.06 -1.90 -0.10 0.00 1.10 0.00 0.00 33.01 32.17 1lml s GLN 369 CO 0.15 -0.20 0.95 0.00 -0.55 0.00 0.00 175.29 175.64 1lml s ALA 370 N 1.42 3.10 -0.85 1.58 0.00 -1.26 -0.77 121.76 124.99 1lml s ALA 370 Ca 0.02 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 1lml s ALA 370 Cb -0.13 -3.17 0.22 0.00 0.00 0.00 0.00 23.12 20.03 1lml s ALA 370 CO -0.08 0.13 0.75 0.34 0.00 0.00 0.00 175.76 176.90 1lml s ASP 371 N -1.94 6.18 0.56 0.00 -1.08 0.00 -4.93 116.67 115.46 1lml s ASP 371 Ca 0.57 -3.27 0.31 0.00 -0.52 0.00 0.00 52.55 49.64 1lml s ASP 371 Cb -0.13 -2.01 1.69 0.00 -1.46 0.00 0.00 42.92 41.01 1lml s ASP 371 CO 0.18 -0.33 1.94 -0.26 0.52 0.00 0.00 175.17 177.22 1lml h PHE 372 N 6.74 0.00 0.00 -5.34 0.04 -1.95 -1.70 116.94 114.73 1lml h PHE 372 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1lml h PHE 372 Cb 0.91 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 1lml h PHE 372 CO 0.79 0.00 -0.09 0.77 -0.60 0.00 0.00 178.31 179.18 1lml h SER 373 N 0.00 0.00 -0.55 2.17 0.02 -1.98 -1.85 113.55 111.36 1lml h SER 373 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lml h SER 373 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1lml h SER 373 CO 0.00 0.09 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 1lml n LYS 374 N -3.48 2.52 -2.08 3.45 5.02 -0.64 -4.96 118.16 117.98 1lml n LYS 374 Ca -0.02 -2.33 -0.41 0.00 -2.02 0.00 0.00 58.31 53.53 1lml n LYS 374 Cb 0.23 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1lml n LYS 374 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lml s ALA 375 N -1.28 3.55 0.43 7.82 0.00 -0.70 -5.00 121.76 126.59 1lml s ALA 375 Ca 0.43 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.54 1lml s ALA 375 Cb 0.23 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1lml s ALA 375 CO 0.31 -0.68 0.82 -1.21 0.00 0.00 0.00 175.76 175.00 1lml s GLU 376 N -1.04 3.82 0.10 0.00 2.02 -0.33 -4.91 118.70 118.36 1lml s GLU 376 Ca 0.54 0.59 -0.18 0.00 0.02 0.00 0.00 54.97 55.93 1lml s GLU 376 Cb -0.40 -2.33 -0.07 0.00 0.10 0.00 0.00 34.13 31.43 1lml s GLU 376 CO 0.48 -0.09 0.58 0.08 0.02 0.00 0.00 175.26 176.33 1lml s VAL 377 N -2.42 4.75 -0.27 2.63 1.01 -1.26 -4.16 120.40 120.66 1lml s VAL 377 Ca 0.53 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1lml s VAL 377 Cb -0.10 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1lml s VAL 377 CO 0.31 0.47 -0.02 -0.32 0.00 0.00 0.00 175.10 175.54 1lml s MET 378 N -1.34 1.57 0.41 2.72 1.75 -1.26 -4.97 119.30 118.18 1lml s MET 378 Ca 0.32 -1.27 0.11 0.00 -1.25 0.00 0.00 55.69 53.59 1lml s MET 378 Cb -0.18 -2.71 0.92 0.00 2.84 0.00 0.00 34.83 35.70 1lml s MET 378 CO 0.19 -0.73 1.98 -1.35 -0.65 0.00 0.00 175.02 174.46 1lml h PRO 379 N 7.86 0.52 -6.31 4.11 0.11 -1.97 -3.38 132.00 132.94 1lml h PRO 379 Ca -0.14 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.35 1lml h PRO 379 Cb 1.05 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.06 1lml h PRO 379 CO 0.45 0.34 1.15 1.87 -0.21 0.00 0.00 178.00 181.61 1lml n TRP 380 N -4.48 2.40 -0.99 0.65 -0.00 -1.26 -1.82 117.44 111.94 1lml n TRP 380 Ca 0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 1lml n TRP 380 Cb 0.30 -2.72 0.00 0.00 -0.00 0.00 0.00 31.31 28.90 1lml n TRP 380 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1lml n GLY 381 N 4.46 0.18 3.67 5.87 0.00 -1.26 -4.87 105.19 113.24 1lml n GLY 381 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1lml n GLY 381 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lml s GLN 382 N -1.29 4.23 -1.54 1.61 0.74 -0.76 -2.69 119.66 119.97 1lml s GLN 382 Ca 0.00 1.99 -0.05 0.00 0.05 0.00 0.00 55.36 57.35 1lml s GLN 382 Cb 0.00 -3.77 0.01 0.00 1.10 0.00 0.00 33.01 30.35 1lml s GLN 382 CO 0.00 -0.71 0.58 0.09 -0.55 0.00 0.00 175.29 174.69 1lml n ASN 383 N 6.32 -5.86 0.20 6.67 5.03 -0.02 -4.87 115.26 122.72 1lml n ASN 383 Ca 0.15 -0.29 0.14 0.00 0.87 0.00 0.00 54.58 55.45 1lml n ASN 383 Cb 0.43 -4.75 0.41 0.00 -1.02 0.00 0.00 39.78 34.85 1lml n ASN 383 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lml h ALA 384 N 1.00 1.00 0.00 5.41 0.00 -1.26 -3.46 119.26 121.95 1lml h ALA 384 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1lml h ALA 384 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1lml h ALA 384 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1lml n GLY 385 N 0.71 -0.28 0.21 0.00 0.00 0.46 -4.29 105.19 101.99 1lml n GLY 385 Ca 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1lml n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml h ALA 387 N 1.52 2.31 -0.64 0.00 0.00 -1.97 -1.41 119.26 119.07 1lml h ALA 387 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1lml h ALA 387 Cb 0.64 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1lml h ALA 387 CO 0.05 -0.43 0.20 0.35 0.00 0.00 0.00 179.25 179.41 1lml h PHE 388 N 0.08 1.01 0.00 0.00 3.57 -1.69 0.11 116.94 120.02 1lml h PHE 388 Ca 0.21 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 1lml h PHE 388 Cb 0.74 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1lml h PHE 388 CO -0.00 0.81 -1.17 -0.07 -2.23 0.00 0.00 178.31 175.65 1lml h LEU 389 N 0.95 0.00 0.00 0.59 3.38 -1.45 -3.39 115.31 115.39 1lml h LEU 389 Ca 0.21 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 1lml h LEU 389 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1lml h LEU 389 CO -0.01 0.35 -2.11 0.35 0.09 0.00 0.00 178.44 177.11 1lml n THR 390 N -2.84 1.11 -3.81 0.22 -2.24 -0.70 -4.66 114.28 101.36 1lml n THR 390 Ca -0.05 -0.76 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 1lml n THR 390 Cb 0.72 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1lml n THR 390 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1lml s ASN 391 N -5.40 4.92 0.69 3.42 0.01 0.37 -4.35 114.94 114.60 1lml s ASN 391 Ca -0.08 -0.76 -0.15 0.00 -0.71 0.00 0.00 52.86 51.15 1lml s ASN 391 Cb 0.08 -0.66 0.02 0.00 0.41 0.00 0.00 41.25 41.09 1lml s ASN 391 CO 0.84 -0.51 1.17 -0.54 -1.51 0.00 0.00 177.10 176.55 1lml s LYS 392 N -4.01 2.47 0.42 -0.60 1.02 -1.26 -4.74 119.74 113.03 1lml s LYS 392 Ca 0.44 1.64 0.18 0.00 0.02 0.00 0.00 55.97 58.25 1lml s LYS 392 Cb -0.02 -1.89 0.91 0.00 -0.52 0.00 0.00 37.83 36.31 1lml s LYS 392 CO 0.26 -1.55 1.87 0.00 -0.92 0.00 0.00 175.35 175.01 1lml s MET 394 N -4.05 0.79 -0.07 0.00 -2.45 -1.26 -4.14 119.30 108.10 1lml s MET 394 Ca -0.02 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.11 1lml s MET 394 Cb 0.13 0.35 0.04 0.00 1.25 0.00 0.00 34.83 36.61 1lml s MET 394 CO 0.68 -0.24 0.15 -2.00 1.05 0.00 0.00 175.02 174.65 1lml s GLU 395 N -1.90 0.04 -1.36 4.11 2.56 -0.22 -4.54 118.70 117.38 1lml s GLU 395 Ca -0.09 0.48 -0.02 0.00 0.00 0.00 0.00 54.97 55.35 1lml s GLU 395 Cb -0.03 -0.26 0.01 0.00 2.00 0.00 0.00 34.13 35.86 1lml s GLU 395 CO 0.01 -0.26 0.65 1.04 -0.56 0.00 0.00 175.26 176.14 1lml n GLN 396 N 4.96 -4.52 -0.73 4.30 1.13 -0.15 -1.43 117.38 120.94 1lml n GLN 396 Ca -0.12 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1lml n GLN 396 Cb 0.50 -5.03 0.00 0.00 0.11 0.00 0.00 30.24 25.82 1lml n GLN 396 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1lml n SER 397 N -3.01 -0.72 -4.32 1.08 7.64 0.40 -4.50 113.62 110.19 1lml n SER 397 Ca -0.27 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.27 1lml n SER 397 Cb 0.66 -1.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.03 1lml n SER 397 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lml s VAL 398 N -2.00 3.15 0.15 0.44 1.01 -0.52 -4.83 120.40 117.81 1lml s VAL 398 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1lml s VAL 398 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1lml s VAL 398 CO 0.00 0.47 0.03 0.28 0.00 0.00 0.00 175.10 175.88 1lml s THR 399 N 1.02 3.96 -1.24 3.92 -1.32 -1.26 -1.06 115.64 119.66 1lml s THR 399 Ca -0.00 -1.24 0.25 0.00 -1.21 0.00 0.00 61.69 59.49 1lml s THR 399 Cb -0.15 -2.97 0.07 0.00 -1.51 0.00 0.00 72.50 67.95 1lml s THR 399 CO -0.01 -0.05 1.43 1.67 -2.21 0.00 0.00 174.62 175.45 1lml n GLN 400 N 0.01 0.26 -3.63 7.08 7.27 -1.26 -4.52 117.38 122.59 1lml n GLN 400 Ca -0.10 -0.16 -0.28 0.00 0.07 0.00 0.00 57.00 56.54 1lml n GLN 400 Cb 0.54 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.58 1lml n GLN 400 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1lml s TRP 401 N -2.85 2.23 0.55 3.69 0.51 -1.26 -4.96 118.94 116.85 1lml s TRP 401 Ca 0.15 -2.78 0.23 0.00 -2.12 0.00 0.00 56.10 51.58 1lml s TRP 401 Cb 0.18 -1.75 1.53 0.00 -0.81 0.00 0.00 33.47 32.62 1lml s TRP 401 CO 0.65 -0.70 2.19 -1.35 -0.51 0.00 0.00 176.95 177.23 1lml h PRO 402 N 5.59 0.00 0.00 4.98 0.11 -1.79 -1.31 132.00 139.58 1lml h PRO 402 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1lml h PRO 402 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1lml h PRO 402 CO 0.53 0.01 -0.02 0.00 -0.21 0.00 0.00 178.00 178.31 1lml h ALA 403 N 1.99 1.01 0.00 -0.75 0.00 -1.98 -3.33 119.26 116.19 1lml h ALA 403 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1lml h ALA 403 Cb 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1lml h ALA 403 CO 0.00 0.03 -1.76 -1.33 0.00 0.00 0.00 179.25 176.19 1lml n MET 404 N -3.13 0.38 -5.03 0.00 2.81 -0.80 -4.98 117.12 106.37 1lml n MET 404 Ca 0.01 0.07 -0.32 0.00 -1.81 0.00 0.00 57.70 55.65 1lml n MET 404 Cb 0.32 -1.27 -0.14 0.00 -0.71 0.00 0.00 33.22 31.42 1lml n MET 404 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1lml s PHE 405 N -2.27 2.58 0.22 2.03 0.08 -0.56 -4.53 117.98 115.53 1lml s PHE 405 Ca -0.18 -0.27 0.11 0.00 0.12 0.00 0.00 56.93 56.71 1lml s PHE 405 Cb 0.05 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1lml s PHE 405 CO 0.31 0.09 -0.18 0.00 -0.10 0.00 0.00 175.22 175.35 1lml n ASN 407 N -0.14 1.88 0.00 0.00 0.23 -1.26 -4.63 115.26 111.33 1lml n ASN 407 Ca -0.09 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 1lml n ASN 407 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1lml n ASN 407 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lml n ALA 412 N -0.44 0.00 -2.58 -2.53 0.00 -1.23 -5.13 120.51 108.59 1lml n ALA 412 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1lml n ALA 412 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1lml n ALA 412 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lml s ILE 413 N 0.00 4.54 0.32 0.00 1.01 -0.37 -4.55 121.20 122.15 1lml s ILE 413 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.53 1lml s ILE 413 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1lml s ILE 413 CO 0.00 -0.12 0.11 -0.13 0.00 0.00 0.00 174.94 174.80 1lml s ARG 414 N 3.00 1.62 -0.16 2.79 0.52 0.39 -0.62 118.95 126.50 1lml s ARG 414 Ca 0.49 -1.92 -0.15 0.00 -0.52 0.00 0.00 55.73 53.63 1lml s ARG 414 Cb -0.18 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.83 1lml s ARG 414 CO 0.12 -0.36 0.33 0.00 0.02 0.00 0.00 175.30 175.41 1lml n PRO 416 N 3.74 0.66 0.19 0.00 -0.02 -1.26 -4.91 135.00 133.40 1lml n PRO 416 Ca -0.11 0.28 0.17 0.00 -2.02 0.00 0.00 63.50 61.83 1lml n PRO 416 Cb 0.52 -2.38 0.81 0.00 -0.02 0.00 0.00 33.50 32.43 1lml n PRO 416 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1lml h THR 417 N -0.11 0.48 0.00 3.45 1.35 -1.94 0.36 112.91 116.50 1lml h THR 417 Ca -0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 1lml h THR 417 Cb 1.33 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1lml h THR 417 CO 0.49 0.00 -0.33 0.77 -0.25 0.00 0.00 175.52 176.20 1lml h SER 418 N 0.00 0.00 -0.79 5.36 4.64 -1.94 -3.47 113.55 117.35 1lml h SER 418 Ca 0.10 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.08 1lml h SER 418 Cb 0.55 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.51 1lml h SER 418 CO -0.00 0.33 -0.31 0.54 -0.87 0.00 0.00 176.83 176.52 1lml n ARG 419 N -3.42 -1.32 0.04 4.77 1.74 0.11 -4.85 116.66 113.73 1lml n ARG 419 Ca 0.00 1.08 0.13 0.00 -0.77 0.00 0.00 57.85 58.30 1lml n ARG 419 Cb 0.51 -5.36 0.47 0.00 -1.02 0.00 0.00 32.46 27.06 1lml n ARG 419 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lml n LEU 420 N -1.89 0.37 -3.84 0.55 4.77 -1.26 -0.28 117.00 115.41 1lml n LEU 420 Ca -0.17 0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 1lml n LEU 420 Cb 0.59 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1lml n LEU 420 CO 0.25 -0.04 0.71 -0.94 -1.33 0.00 0.00 177.39 176.03 1lml s SER 421 N -3.57 -0.04 0.35 -1.43 1.04 -1.26 -1.91 113.70 106.89 1lml s SER 421 Ca 0.12 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 1lml s SER 421 Cb 0.16 0.60 -0.08 0.00 0.10 0.00 0.00 66.02 66.81 1lml s SER 421 CO 0.59 -1.18 0.73 -0.76 0.98 0.00 0.00 173.24 173.60 1lml s LEU 422 N -3.21 3.96 0.00 2.42 1.43 0.17 -4.11 118.68 119.35 1lml s LEU 422 Ca 0.18 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1lml s LEU 422 Cb -0.03 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1lml s LEU 422 CO 0.06 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1lml n GLY 423 N -0.80 2.42 3.40 -3.19 0.00 0.10 -1.33 105.19 105.79 1lml n GLY 423 Ca 0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1lml n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml s ALA 424 N -1.06 -1.44 0.05 4.61 0.00 -0.20 -0.46 121.76 123.26 1lml s ALA 424 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1lml s ALA 424 Cb 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.87 1lml s ALA 424 CO 0.00 -0.74 1.88 0.00 0.00 0.00 0.00 175.76 176.90 1lml s GLY 426 N 3.71 1.69 -0.03 0.00 0.00 -0.48 -4.85 107.32 107.37 1lml s GLY 426 Ca 0.84 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 44.06 1lml s GLY 426 CO 0.38 1.59 -0.01 0.14 0.00 0.00 0.00 173.10 175.21 1lml s VAL 427 N 2.91 0.22 0.35 1.40 1.01 -1.26 -3.75 120.40 121.29 1lml s VAL 427 Ca 0.20 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1lml s VAL 427 Cb -0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1lml s VAL 427 CO 0.15 0.15 0.18 0.35 0.00 0.00 0.00 175.10 175.93 1lml n THR 428 N 4.09 0.00 -3.76 3.92 -2.24 -0.23 -4.95 114.28 111.11 1lml n THR 428 Ca -0.27 -2.22 -0.36 0.00 -2.27 0.00 0.00 64.05 58.94 1lml n THR 428 Cb 0.50 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.55 1lml n THR 428 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1lml s ARG 429 N -3.37 4.05 0.05 -0.78 6.06 -1.26 -2.10 118.95 121.60 1lml s ARG 429 Ca 0.25 -0.29 0.04 0.00 -2.50 0.00 0.00 55.73 53.24 1lml s ARG 429 Cb 0.01 -3.43 -0.04 0.00 0.06 0.00 0.00 34.95 31.56 1lml s ARG 429 CO 0.18 0.15 -0.04 -1.01 -2.50 0.00 0.00 175.30 172.08 1lml s HIS 430 N 0.77 2.92 0.40 5.12 3.76 -0.04 -5.02 115.29 123.20 1lml s HIS 430 Ca 0.07 -0.04 0.39 0.00 -0.15 0.00 0.00 55.06 55.33 1lml s HIS 430 Cb -0.13 -1.56 1.95 0.00 1.11 0.00 0.00 32.58 33.95 1lml s HIS 430 CO 0.02 0.43 2.19 -1.00 -0.85 0.00 0.00 174.74 175.53 1lml h PRO 431 N 3.97 0.00 0.00 8.40 0.13 -1.99 -3.41 132.00 139.10 1lml h PRO 431 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1lml h PRO 431 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1lml h PRO 431 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1lml n GLY 432 N -0.60 -1.66 3.77 1.56 0.00 -1.26 -5.14 105.19 101.86 1lml n GLY 432 Ca -0.01 0.91 -0.41 0.00 0.00 0.00 0.00 46.02 46.50 1lml n GLY 432 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lml s LEU 433 N 0.00 4.39 0.48 0.99 1.43 -1.26 -5.02 118.68 119.69 1lml s LEU 433 Ca 0.00 2.77 -0.24 0.00 -1.03 0.00 0.00 54.13 55.63 1lml s LEU 433 Cb 0.00 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 1lml s LEU 433 CO 0.00 -0.65 1.27 -2.65 0.23 0.00 0.00 176.35 174.55 1lml n PRO 434 N 1.05 1.75 -0.06 1.29 -0.02 -1.26 -4.93 135.00 132.81 1lml n PRO 434 Ca 0.02 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1lml n PRO 434 Cb 0.41 -2.43 0.50 0.00 -0.02 0.00 0.00 33.50 31.96 1lml n PRO 434 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1lml h PRO 435 N 1.72 0.39 0.00 0.52 0.13 -1.96 -0.44 132.00 132.36 1lml h PRO 435 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1lml h PRO 435 Cb 1.30 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1lml h PRO 435 CO 0.58 0.26 0.00 2.48 -0.23 0.00 0.00 178.00 181.09 1lml n TYR 436 N -4.47 0.67 -0.46 1.56 0.18 -1.26 -2.50 117.16 110.89 1lml n TYR 436 Ca 0.09 0.24 0.07 0.00 1.88 0.00 0.00 57.90 60.18 1lml n TYR 436 Cb 0.34 -0.89 0.21 0.00 -0.38 0.00 0.00 39.34 38.62 1lml n TYR 436 CO 0.00 0.00 0.00 0.91 -2.08 0.00 0.00 176.86 175.69 1lml n TRP 437 N -2.09 0.72 -3.31 -3.48 8.01 -0.19 -4.91 117.44 112.19 1lml n TRP 437 Ca 0.03 -0.62 -0.42 0.00 -1.31 0.00 0.00 57.50 55.19 1lml n TRP 437 Cb 0.27 -0.13 -0.09 0.00 -2.01 0.00 0.00 31.31 29.36 1lml n TRP 437 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1lml s GLN 438 N -1.60 3.31 -0.04 -0.99 -0.21 -1.04 -4.90 119.66 114.19 1lml s GLN 438 Ca 0.32 -0.55 0.10 0.00 0.02 0.00 0.00 55.36 55.26 1lml s GLN 438 Cb 0.21 -3.90 -0.16 0.00 1.00 0.00 0.00 33.01 30.16 1lml s GLN 438 CO 0.15 -0.75 0.19 0.66 -2.12 0.00 0.00 175.29 173.42 1lml n TYR 439 N 5.63 0.00 -3.59 0.91 4.01 -1.26 -4.77 117.16 118.09 1lml n TYR 439 Ca -0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.46 1lml n TYR 439 Cb 0.48 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1lml n TYR 439 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1lml s PHE 440 N -2.63 3.30 0.43 -0.72 0.40 -1.26 -0.45 117.98 117.05 1lml s PHE 440 Ca -0.04 -0.02 0.23 0.00 -0.60 0.00 0.00 56.93 56.49 1lml s PHE 440 Cb 0.06 -1.86 1.30 0.00 0.51 0.00 0.00 43.02 43.03 1lml s PHE 440 CO 0.45 0.13 2.05 1.79 0.70 0.00 0.00 175.22 180.33 1lml h THR 441 N 0.92 0.77 -3.58 0.64 1.35 -1.94 -3.38 112.91 107.70 1lml h THR 441 Ca -0.49 -0.56 -0.66 0.00 -0.55 0.00 0.00 66.41 64.15 1lml h THR 441 Cb 1.24 1.34 -0.16 0.00 -1.73 0.00 0.00 68.15 68.84 1lml h THR 441 CO 0.57 0.14 0.08 -0.62 -0.25 0.00 0.00 175.52 175.45 1lml s ASP 442 N -6.46 6.30 0.08 5.36 -1.08 -1.26 -4.94 116.67 114.67 1lml s ASP 442 Ca -0.03 -0.40 0.08 0.00 -0.52 0.00 0.00 52.55 51.68 1lml s ASP 442 Cb 0.14 -2.31 0.38 0.00 -1.46 0.00 0.00 42.92 39.67 1lml s ASP 442 CO 0.62 -0.76 1.24 -2.65 0.52 0.00 0.00 175.17 174.14 1lml n PRO 443 N 6.18 0.04 0.04 4.34 -0.02 -1.26 -1.79 135.00 142.52 1lml n PRO 443 Ca -0.02 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1lml n PRO 443 Cb 0.48 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 1lml n PRO 443 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1lml n SER 444 N -1.69 0.38 -4.82 2.55 7.64 -1.26 -4.45 113.62 111.97 1lml n SER 444 Ca 0.00 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.69 1lml n SER 444 Cb 0.04 1.30 -0.07 0.00 -1.01 0.00 0.00 64.21 64.48 1lml n SER 444 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1lml s LEU 445 N -4.88 3.96 0.02 -3.43 1.43 -0.74 -0.86 118.68 114.18 1lml s LEU 445 Ca -0.05 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.42 1lml s LEU 445 Cb 0.12 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.96 1lml s LEU 445 CO 0.86 -0.34 1.23 0.00 0.23 0.00 0.00 176.35 178.33 1lml s ALA 446 N -2.15 -2.15 1.14 4.21 0.00 -0.89 -4.52 121.76 117.40 1lml s ALA 446 Ca 0.61 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1lml s ALA 446 Cb -0.09 0.46 0.26 0.00 0.00 0.00 0.00 23.12 23.74 1lml s ALA 446 CO 0.14 -1.06 1.08 0.20 0.00 0.00 0.00 175.76 176.11 1lml s GLY 447 N -3.06 1.55 0.00 0.00 0.00 0.19 -1.07 107.32 104.93 1lml s GLY 447 Ca 0.15 -0.62 0.24 0.00 0.00 0.00 0.00 44.72 44.49 1lml s GLY 447 CO -0.02 0.15 1.28 3.33 0.00 0.00 0.00 173.10 177.84 1lml n VAL 448 N -4.63 0.00 -5.06 1.40 0.24 -1.25 -4.63 118.33 104.41 1lml n VAL 448 Ca 0.08 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 62.04 1lml n VAL 448 Cb 0.58 0.49 -0.15 0.00 -1.47 0.00 0.00 33.84 33.29 1lml n VAL 448 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lml s SER 449 N -2.94 3.53 0.24 -1.34 0.15 -1.26 -5.00 113.70 107.09 1lml s SER 449 Ca 0.12 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.48 1lml s SER 449 Cb 0.17 -1.03 0.23 0.00 -1.71 0.00 0.00 66.02 63.69 1lml s SER 449 CO 0.72 0.25 1.53 0.00 1.20 0.00 0.00 173.24 176.95 1lml h ALA 450 N 6.03 0.81 -0.03 5.45 0.00 -1.94 0.22 119.26 129.80 1lml h ALA 450 Ca -0.34 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 1lml h ALA 450 Cb 1.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lml h ALA 450 CO 0.50 0.86 -0.04 0.74 0.00 0.00 0.00 179.25 181.30 1lml h PHE 451 N 0.00 0.04 -0.49 0.00 0.04 -1.94 0.14 116.94 114.73 1lml h PHE 451 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1lml h PHE 451 Cb 1.26 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1lml h PHE 451 CO 0.00 0.09 0.00 -1.33 -0.60 0.00 0.00 178.31 176.47 1lml n MET 452 N -4.46 2.57 -2.73 1.51 2.81 -1.09 -2.15 117.12 113.57 1lml n MET 452 Ca -0.02 -1.95 -0.21 0.00 -1.81 0.00 0.00 57.70 53.71 1lml n MET 452 Cb 0.14 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.11 1lml n MET 452 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1lml n ASP 453 N 0.88 -5.59 -1.68 7.83 8.00 0.04 -1.32 116.55 124.71 1lml n ASP 453 Ca 0.18 -0.13 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 1lml n ASP 453 Cb 0.55 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.00 1lml n ASP 453 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1lml n TYR 454 N -4.13 -0.30 -2.49 1.24 4.01 0.75 -4.89 117.16 111.34 1lml n TYR 454 Ca -0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.17 1lml n TYR 454 Cb 0.64 -3.35 -0.04 0.00 -0.31 0.00 0.00 39.34 36.28 1lml n TYR 454 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lml s PRO 456 N -0.22 3.97 0.24 0.00 0.04 -1.26 -4.43 135.00 133.33 1lml s PRO 456 Ca 0.51 1.49 0.03 0.00 0.04 0.00 0.00 61.00 63.06 1lml s PRO 456 Cb -0.30 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 1lml s PRO 456 CO 0.35 -1.06 0.03 0.14 0.04 0.00 0.00 177.00 176.49 1lml s VAL 457 N 4.37 0.89 -0.37 -0.36 -7.23 -1.26 -1.36 120.40 115.07 1lml s VAL 457 Ca 0.60 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1lml s VAL 457 Cb -0.21 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1lml s VAL 457 CO 0.23 -0.24 1.48 -0.69 -0.31 0.00 0.00 175.10 175.56 1lml s VAL 458 N -3.52 3.85 -0.05 1.32 1.01 -1.26 -1.38 120.40 120.37 1lml s VAL 458 Ca 0.31 0.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 1lml s VAL 458 Cb 0.06 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1lml s VAL 458 CO 0.10 -0.63 0.31 -0.69 0.00 0.00 0.00 175.10 174.19 1lml s VAL 459 N 5.52 5.20 0.36 2.92 1.01 0.41 -4.50 120.40 131.33 1lml s VAL 459 Ca 0.64 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 1lml s VAL 459 Cb -0.16 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1lml s VAL 459 CO 0.31 0.58 1.20 -2.16 0.00 0.00 0.00 175.10 175.03 1lml s PRO 460 N -0.96 4.21 0.45 2.72 0.04 -1.26 -1.03 135.00 139.17 1lml s PRO 460 Ca 0.20 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1lml s PRO 460 Cb -0.15 -2.86 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1lml s PRO 460 CO 0.10 -0.21 1.12 0.71 0.04 0.00 0.00 177.00 178.76 1lml s TYR 461 N -1.30 2.98 0.27 0.56 2.02 -0.45 -4.90 117.35 116.53 1lml s TYR 461 Ca 0.53 1.57 -0.02 0.00 -0.37 0.00 0.00 57.07 58.78 1lml s TYR 461 Cb -0.34 -3.28 0.43 0.00 -0.40 0.00 0.00 41.96 38.37 1lml s TYR 461 CO 0.43 -1.23 1.87 0.77 -1.57 0.00 0.00 175.55 175.83 1lml h SER 462 N 2.08 1.01 -0.36 2.29 0.02 -1.95 -2.33 113.55 114.32 1lml h SER 462 Ca -0.49 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.28 1lml h SER 462 Cb 1.24 -0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.46 1lml h SER 462 CO 0.60 0.63 -0.13 -0.90 -1.14 0.00 0.00 176.83 175.89 1lml n ASP 463 N -4.53 2.59 -1.04 3.07 5.75 -1.26 -4.62 116.55 116.51 1lml n ASP 463 Ca 0.16 -3.81 0.09 0.00 -0.01 0.00 0.00 54.79 51.22 1lml n ASP 463 Cb 0.21 -0.63 0.25 0.00 -1.03 0.00 0.00 41.12 39.92 1lml n ASP 463 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lml n GLY 464 N -1.11 2.68 3.71 6.12 0.00 -0.88 -4.76 105.19 110.95 1lml n GLY 464 Ca 0.33 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1lml n GLY 464 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lml n SER 465 N 1.06 3.32 0.09 1.61 2.88 -1.26 -0.65 113.62 120.66 1lml n SER 465 Ca 0.19 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.99 1lml n SER 465 Cb 0.56 -1.51 0.45 0.00 -0.75 0.00 0.00 64.21 62.96 1lml n SER 465 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lml n THR 467 N -2.10 0.74 -1.45 0.00 -2.24 -1.25 -2.12 114.28 105.86 1lml n THR 467 Ca 0.05 -0.87 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 1lml n THR 467 Cb 0.35 0.75 0.13 0.00 -2.10 0.00 0.00 70.33 69.45 1lml n THR 467 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lml s GLN 468 N -1.20 1.30 0.03 -0.78 -2.07 -1.20 -4.58 119.66 111.17 1lml s GLN 468 Ca 0.39 0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 54.12 1lml s GLN 468 Cb 0.22 -1.84 -0.04 0.00 -1.09 0.00 0.00 33.01 30.26 1lml s GLN 468 CO 0.29 -2.13 0.97 1.03 -1.32 0.00 0.00 175.29 174.13 1lml s ARG 469 N -5.16 4.60 0.42 9.60 0.52 -1.26 -4.29 118.95 123.38 1lml s ARG 469 Ca 0.63 1.42 0.16 0.00 -0.52 0.00 0.00 55.73 57.42 1lml s ARG 469 Cb -0.16 -3.43 1.05 0.00 0.52 0.00 0.00 34.95 32.93 1lml s ARG 469 CO 0.55 0.03 1.89 0.00 0.02 0.00 0.00 175.30 177.78 1lml h ALA 470 N 6.43 2.13 -0.07 2.13 0.00 -1.94 -0.10 119.26 127.84 1lml h ALA 470 Ca -0.42 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1lml h ALA 470 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1lml h ALA 470 CO 0.74 -0.38 -0.35 0.66 0.00 0.00 0.00 179.25 179.92 1lml h SER 471 N 0.44 0.13 0.53 0.00 4.64 -2.01 -2.75 113.55 114.53 1lml h SER 471 Ca 0.42 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1lml h SER 471 Cb 0.99 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1lml h SER 471 CO -0.15 0.48 -0.30 -0.62 -0.87 0.00 0.00 176.83 175.37 1lml n GLU 472 N -4.10 0.24 -2.29 4.77 1.02 -0.10 -4.95 120.64 115.23 1lml n GLU 472 Ca -0.01 -0.11 -0.36 0.00 -0.02 0.00 0.00 57.16 56.66 1lml n GLU 472 Cb 0.41 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1lml n GLU 472 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lml s ALA 473 N -2.84 2.82 0.37 0.62 0.00 -0.91 -4.99 121.76 116.83 1lml s ALA 473 Ca 0.17 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.69 1lml s ALA 473 Cb 0.18 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 1lml s ALA 473 CO 0.60 -0.67 1.33 -1.58 0.00 0.00 0.00 175.76 175.44 1lml s HIS 474 N -1.71 2.89 0.40 0.00 2.46 -1.26 -4.91 115.29 113.16 1lml s HIS 474 Ca 0.69 1.38 0.15 0.00 0.47 0.00 0.00 55.06 57.76 1lml s HIS 474 Cb -0.25 -3.71 1.02 0.00 -0.13 0.00 0.00 32.58 29.51 1lml s HIS 474 CO 0.29 -2.09 1.84 0.00 -2.47 0.00 0.00 174.74 172.31 1lml h ALA 475 N 3.02 2.11 0.00 1.58 0.00 -1.97 -0.72 119.26 123.29 1lml h ALA 475 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1lml h ALA 475 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1lml h ALA 475 CO 0.64 -0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.14 1lml h SER 476 N 0.47 0.00 0.68 0.00 4.64 -2.05 -3.13 113.55 114.17 1lml h SER 476 Ca 0.49 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.55 1lml h SER 476 Cb 1.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1lml h SER 476 CO -0.21 0.00 -1.44 -0.07 -0.87 0.00 0.00 176.83 174.24 1lml h LEU 477 N 0.00 0.00 -0.60 5.97 3.38 -1.49 -3.39 115.31 119.17 1lml h LEU 477 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1lml h LEU 477 Cb 0.53 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1lml h LEU 477 CO 0.00 0.99 0.19 -0.07 0.09 0.00 0.00 178.44 179.63 1lml h LEU 478 N 0.00 0.14 0.00 1.67 3.38 -1.48 -2.54 115.31 116.47 1lml h LEU 478 Ca -0.18 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lml h LEU 478 Cb 1.91 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1lml h LEU 478 CO 0.10 0.08 0.00 -0.81 0.09 0.00 0.00 178.44 177.90 1lml n PRO 479 N -5.05 0.09 -0.12 1.13 -0.04 -1.26 -3.53 135.00 126.22 1lml n PRO 479 Ca 0.09 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1lml n PRO 479 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1lml n PRO 479 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1lml n PHE 480 N -1.38 0.00 -4.27 0.54 -1.74 -1.12 -4.81 117.46 104.69 1lml n PHE 480 Ca 0.04 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.74 1lml n PHE 480 Cb 0.11 0.01 -0.11 0.00 1.52 0.00 0.00 39.48 41.01 1lml n PHE 480 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1lml s ASN 481 N -0.21 2.19 -0.08 5.98 0.01 -0.97 -4.50 114.94 117.35 1lml s ASN 481 Ca 0.00 -0.85 0.03 0.00 -0.71 0.00 0.00 52.86 51.34 1lml s ASN 481 Cb 0.00 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.57 1lml s ASN 481 CO 0.00 -0.13 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.59 1lml s VAL 482 N -2.23 1.63 -0.09 1.60 1.01 -0.55 -4.71 120.40 117.06 1lml s VAL 482 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1lml s VAL 482 Cb -0.04 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1lml s VAL 482 CO 0.04 0.46 -0.18 -0.36 0.00 0.00 0.00 175.10 175.06 1lml s PHE 483 N 0.46 2.64 -0.09 5.22 0.08 -1.26 -4.26 117.98 120.77 1lml s PHE 483 Ca -0.16 -0.60 -0.32 0.00 0.12 0.00 0.00 56.93 55.96 1lml s PHE 483 Cb -0.17 -1.70 0.14 0.00 -0.57 0.00 0.00 43.02 40.72 1lml s PHE 483 CO 0.06 -0.14 1.42 -1.54 -0.10 0.00 0.00 175.22 174.92 1lml s SER 484 N -0.06 -0.00 0.59 1.36 1.04 -0.90 -4.81 113.70 110.91 1lml s SER 484 Ca -0.04 -0.01 0.37 0.00 0.48 0.00 0.00 55.95 56.74 1lml s SER 484 Cb -0.14 0.01 1.73 0.00 0.10 0.00 0.00 66.02 67.72 1lml s SER 484 CO 0.04 -0.02 2.12 0.44 0.98 0.00 0.00 173.24 176.80 1lml h ASP 485 N 2.00 0.00 0.50 7.02 3.32 -1.85 -2.32 116.42 125.10 1lml h ASP 485 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1lml h ASP 485 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1lml h ASP 485 CO 0.30 0.01 -0.80 0.00 -1.72 0.00 0.00 179.24 177.03 1lml n ALA 486 N -2.10 3.45 -1.88 3.45 0.00 -1.26 -4.76 120.51 117.41 1lml n ALA 486 Ca -0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1lml n ALA 486 Cb 0.22 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1lml n ALA 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lml s ALA 487 N -3.12 3.50 0.11 0.00 0.00 -0.87 -2.63 121.76 118.74 1lml s ALA 487 Ca 0.07 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1lml s ALA 487 Cb 0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1lml s ALA 487 CO 0.76 -0.52 -0.08 1.03 0.00 0.00 0.00 175.76 176.96 1lml s ARG 488 N -0.91 0.87 -0.14 0.00 1.81 -0.45 -4.59 118.95 115.53 1lml s ARG 488 Ca 0.52 -1.32 -0.27 0.00 -1.72 0.00 0.00 55.73 52.94 1lml s ARG 488 Cb -0.37 -0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 1lml s ARG 488 CO 0.44 0.01 0.88 0.00 -0.68 0.00 0.00 175.30 175.95 1lml s ILE 490 N 2.02 3.20 0.68 0.00 -1.09 0.25 -4.80 121.20 121.45 1lml s ILE 490 Ca 0.42 -0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 1lml s ILE 490 Cb -0.17 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1lml s ILE 490 CO 0.15 0.56 1.08 -1.81 -1.23 0.00 0.00 174.94 173.68 1lml s ASP 491 N -0.24 5.24 0.00 3.58 1.01 -1.26 -1.83 116.67 123.17 1lml s ASP 491 Ca 0.02 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1lml s ASP 491 Cb -0.13 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1lml s ASP 491 CO 0.03 -1.54 0.00 0.61 0.21 0.00 0.00 175.17 174.48 1lml n GLY 492 N -1.23 -1.31 2.72 0.21 0.00 -0.68 -1.12 105.19 103.79 1lml n GLY 492 Ca 0.09 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1lml n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lml s ALA 493 N -1.09 -0.20 0.35 4.61 0.00 -0.96 -4.15 121.76 120.32 1lml s ALA 493 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1lml s ALA 493 Cb 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1lml s ALA 493 CO 0.00 -1.45 0.60 -0.59 0.00 0.00 0.00 175.76 174.33 1lml s PHE 494 N 2.30 0.63 -0.12 0.00 -0.71 -1.09 -1.45 117.98 117.54 1lml s PHE 494 Ca 0.08 -1.04 -0.04 0.00 -1.04 0.00 0.00 56.93 54.89 1lml s PHE 494 Cb -0.15 0.31 0.06 0.00 -1.21 0.00 0.00 43.02 42.03 1lml s PHE 494 CO -0.23 -1.30 0.17 1.03 -1.34 0.00 0.00 175.22 173.56 1lml s ARG 495 N -2.86 0.08 0.89 1.99 1.81 -1.26 -4.11 118.95 115.49 1lml s ARG 495 Ca 0.24 0.42 -0.12 0.00 -1.72 0.00 0.00 55.73 54.55 1lml s ARG 495 Cb -0.02 -0.64 0.13 0.00 -0.45 0.00 0.00 34.95 33.96 1lml s ARG 495 CO 0.16 -0.43 1.12 -1.25 -0.68 0.00 0.00 175.30 174.22 1lml s PRO 496 N 2.29 1.29 -1.24 3.54 0.04 -1.26 -1.39 135.00 138.27 1lml s PRO 496 Ca 0.04 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.45 1lml s PRO 496 Cb -0.13 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.75 1lml s PRO 496 CO -0.08 -2.13 1.72 1.63 0.04 0.00 0.00 177.00 178.18 1lml n LYS 497 N -3.75 3.64 0.06 4.56 5.02 -1.08 -4.77 118.16 121.84 1lml n LYS 497 Ca 0.06 -3.72 0.00 0.00 -2.02 0.00 0.00 58.31 52.64 1lml n LYS 497 Cb 0.58 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1lml n LYS 497 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lml n ALA 498 N 4.00 0.00 -2.68 7.82 0.00 -1.26 -5.09 120.51 123.30 1lml n ALA 498 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 1lml n ALA 498 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1lml n ALA 498 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lml s SER 505 N -2.00 6.74 -0.33 0.00 1.04 -1.26 -5.16 113.70 112.73 1lml s SER 505 Ca 0.00 0.89 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 1lml s SER 505 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1lml s SER 505 CO 0.00 -0.21 0.49 -0.31 0.98 0.00 0.00 173.24 174.18 1lml s TYR 506 N 1.57 3.20 -0.05 5.02 1.51 -1.26 -1.24 117.35 126.10 1lml s TYR 506 Ca 0.30 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.67 1lml s TYR 506 Cb -0.16 -2.85 0.12 0.00 -0.11 0.00 0.00 41.96 38.96 1lml s TYR 506 CO 0.12 -0.47 1.02 0.00 -1.11 0.00 0.00 175.55 175.11 1lml n ALA 507 N 5.65 2.03 -3.60 3.71 0.00 0.21 -2.66 120.51 125.84 1lml n ALA 507 Ca -0.05 -1.62 -0.08 0.00 0.00 0.00 0.00 53.44 51.69 1lml n ALA 507 Cb 0.49 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1lml n ALA 507 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1lml s GLY 508 N -1.68 -0.14 0.08 0.00 0.00 -1.01 -1.69 107.32 102.86 1lml s GLY 508 Ca 0.13 2.32 -0.12 0.00 0.00 0.00 0.00 44.72 47.05 1lml s GLY 508 CO 0.01 1.10 0.27 0.48 0.00 0.00 0.00 173.10 174.97 1lml s LEU 509 N -1.01 1.01 -0.18 0.66 0.05 -0.76 -4.81 118.68 113.64 1lml s LEU 509 Ca 0.02 -0.40 -0.20 0.00 0.05 0.00 0.00 54.13 53.60 1lml s LEU 509 Cb -0.01 1.31 -0.03 0.00 -2.05 0.00 0.00 46.19 45.41 1lml s LEU 509 CO -0.02 -0.70 0.58 0.00 -0.55 0.00 0.00 176.35 175.66 1lml s ALA 511 N 1.60 1.04 0.27 0.00 0.00 -0.45 -1.49 121.76 122.73 1lml s ALA 511 Ca 0.27 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1lml s ALA 511 Cb -0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 1lml s ALA 511 CO 0.11 0.21 1.38 -0.80 0.00 0.00 0.00 175.76 176.66 1lml s ASN 512 N -0.75 6.72 -0.05 0.00 0.02 -0.53 -1.34 114.94 119.00 1lml s ASN 512 Ca 0.02 2.65 0.03 0.00 -1.02 0.00 0.00 52.86 54.54 1lml s ASN 512 Cb -0.06 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.55 1lml s ASN 512 CO 0.00 -0.63 -0.13 -0.69 0.02 0.00 0.00 177.10 175.68 1lml s VAL 513 N -0.40 3.18 -0.21 1.60 1.01 -1.08 -0.65 120.40 123.84 1lml s VAL 513 Ca 0.55 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1lml s VAL 513 Cb -0.41 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1lml s VAL 513 CO 0.46 0.59 -0.12 -1.58 0.00 0.00 0.00 175.10 174.46 1lml s GLN 514 N -0.73 2.20 -0.23 2.72 0.74 -0.19 -4.37 119.66 119.79 1lml s GLN 514 Ca 0.11 -0.94 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 1lml s GLN 514 Cb -0.11 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 1lml s GLN 514 CO 0.01 -0.43 0.09 0.00 -0.55 0.00 0.00 175.29 174.41 1lml s ASP 516 N 1.24 6.46 0.53 0.00 2.15 0.01 -4.12 116.67 122.95 1lml s ASP 516 Ca 0.05 -2.19 0.29 0.00 0.43 0.00 0.00 52.55 51.13 1lml s ASP 516 Cb -0.14 -2.22 1.46 0.00 -0.30 0.00 0.00 42.92 41.72 1lml s ASP 516 CO 0.04 -0.74 2.06 0.71 -0.17 0.00 0.00 175.17 177.07 1lml h THR 517 N 5.39 0.47 0.00 1.71 1.35 -1.89 0.15 112.91 120.09 1lml h THR 517 Ca -0.11 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.18 1lml h THR 517 Cb 1.07 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1lml h THR 517 CO 0.91 0.11 -0.09 0.00 -0.25 0.00 0.00 175.52 176.20 1lml h ALA 518 N 1.89 1.02 0.00 6.62 0.00 -1.95 -3.24 119.26 123.60 1lml h ALA 518 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1lml h ALA 518 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1lml h ALA 518 CO 0.01 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1lml n THR 519 N -3.23 0.00 -3.82 0.00 -2.24 -1.03 -5.03 114.28 98.93 1lml n THR 519 Ca 0.00 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1lml n THR 519 Cb 0.35 1.41 0.02 0.00 -2.10 0.00 0.00 70.33 70.02 1lml n THR 519 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lml n ARG 520 N -0.01 -4.87 -4.37 -0.78 1.74 0.49 -5.00 116.66 103.87 1lml n ARG 520 Ca 0.00 0.58 -0.19 0.00 -0.77 0.00 0.00 57.85 57.47 1lml n ARG 520 Cb 0.10 -5.20 -0.10 0.00 -1.02 0.00 0.00 32.46 26.24 1lml n ARG 520 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1lml s THR 521 N -3.57 1.34 0.15 0.55 -4.23 -1.07 -4.95 115.64 103.86 1lml s THR 521 Ca 0.25 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.55 1lml s THR 521 Cb -0.12 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1lml s THR 521 CO 0.83 -0.34 0.35 -0.72 -0.54 0.00 0.00 174.62 174.20 1lml s TYR 522 N -3.21 0.11 0.13 3.99 1.13 -1.26 -0.81 117.35 117.43 1lml s TYR 522 Ca 0.28 -0.47 0.05 0.00 -1.41 0.00 0.00 57.07 55.52 1lml s TYR 522 Cb 0.04 0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 1lml s TYR 522 CO 0.10 -0.73 -0.11 -1.54 -2.51 0.00 0.00 175.55 170.75 1lml s SER 523 N -2.89 1.83 0.08 -0.18 1.04 -0.42 -2.09 113.70 111.08 1lml s SER 523 Ca 0.10 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.68 1lml s SER 523 Cb 0.02 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1lml s SER 523 CO -0.05 -0.26 -0.16 0.68 0.98 0.00 0.00 173.24 174.43 1lml s VAL 524 N -2.80 1.33 -0.26 5.02 -7.23 -0.15 -1.03 120.40 115.29 1lml s VAL 524 Ca 0.13 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1lml s VAL 524 Cb -0.01 -1.26 0.06 0.00 0.56 0.00 0.00 36.38 35.74 1lml s VAL 524 CO 0.02 -0.18 -0.06 -1.58 -0.31 0.00 0.00 175.10 172.98 1lml s GLN 525 N -1.85 1.84 0.62 4.82 0.74 0.17 -0.22 119.66 125.79 1lml s GLN 525 Ca 0.01 -1.22 -0.05 0.00 0.05 0.00 0.00 55.36 54.16 1lml s GLN 525 Cb -0.10 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.30 1lml s GLN 525 CO 0.03 -0.63 0.92 0.14 -0.55 0.00 0.00 175.29 175.20 1lml s VAL 526 N 1.24 2.94 0.23 1.34 -7.23 -1.26 -1.45 120.40 116.20 1lml s VAL 526 Ca -0.05 -0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 59.56 1lml s VAL 526 Cb -0.19 -3.19 -0.11 0.00 0.56 0.00 0.00 36.38 33.44 1lml s VAL 526 CO -0.06 -0.19 1.64 -2.28 -0.31 0.00 0.00 175.10 173.89 1lml s HIS 527 N -3.04 2.89 0.00 2.82 2.46 -1.26 -2.07 115.29 117.09 1lml s HIS 527 Ca 0.57 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.67 1lml s HIS 527 Cb -0.11 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 1lml s HIS 527 CO 0.43 -3.82 0.00 0.41 -2.47 0.00 0.00 174.74 169.29 1lml n GLY 528 N 3.24 0.82 3.76 1.59 0.00 -1.26 -4.58 105.19 108.75 1lml n GLY 528 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1lml n GLY 528 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lml s SER 529 N -2.89 5.99 0.19 1.61 0.15 -0.88 -4.38 113.70 113.49 1lml s SER 529 Ca 0.00 0.27 0.13 0.00 0.70 0.00 0.00 55.95 57.05 1lml s SER 529 Cb 0.00 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1lml s SER 529 CO 0.00 0.30 1.28 -1.13 1.20 0.00 0.00 173.24 174.88 1lml h ASN 530 N 5.79 0.00 -2.50 5.45 -1.24 -1.88 -3.45 115.58 117.75 1lml h ASN 530 Ca -0.47 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 55.99 1lml h ASN 530 Cb 1.19 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.11 1lml h ASN 530 CO 0.64 0.67 -0.57 -1.81 -1.29 0.00 0.00 177.43 175.07 1lml s ASP 531 N -6.42 3.00 0.25 1.15 1.01 -1.26 -5.14 116.67 109.26 1lml s ASP 531 Ca 0.02 -1.48 -0.10 0.00 0.71 0.00 0.00 52.55 51.69 1lml s ASP 531 Cb 0.08 0.08 -0.07 0.00 1.01 0.00 0.00 42.92 44.02 1lml s ASP 531 CO 0.78 -0.69 0.58 -0.31 0.21 0.00 0.00 175.17 175.74 1lml s TYR 532 N -3.11 3.42 -0.07 4.23 1.51 -1.26 -4.62 117.35 117.45 1lml s TYR 532 Ca 0.29 0.91 0.05 0.00 -1.01 0.00 0.00 57.07 57.31 1lml s TYR 532 Cb 0.07 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1lml s TYR 532 CO 0.14 0.24 -0.24 0.99 -1.11 0.00 0.00 175.55 175.57 1lml s THR 533 N -1.85 2.01 0.28 -0.71 2.01 0.70 -4.86 115.64 113.21 1lml s THR 533 Ca 0.48 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1lml s THR 533 Cb -0.11 -1.71 -0.12 0.00 0.01 0.00 0.00 72.50 70.57 1lml s THR 533 CO 0.21 0.56 1.55 -0.46 -0.69 0.00 0.00 174.62 175.78 1lml n ASN 534 N 3.13 3.57 -3.81 3.53 0.23 -1.26 -0.97 115.26 119.68 1lml n ASN 534 Ca -0.18 1.14 -0.30 0.00 -0.53 0.00 0.00 54.58 54.71 1lml n ASN 534 Cb 0.52 -1.55 -0.15 0.00 -2.08 0.00 0.00 39.78 36.53 1lml n ASN 534 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lml s THR 536 N 1.18 4.84 -0.05 0.00 2.01 -1.26 -4.59 115.64 117.77 1lml s THR 536 Ca 0.12 1.91 -0.36 0.00 0.31 0.00 0.00 61.69 63.66 1lml s THR 536 Cb -0.19 -4.25 -0.14 0.00 0.01 0.00 0.00 72.50 67.92 1lml s THR 536 CO -0.16 0.06 1.65 -2.65 -0.69 0.00 0.00 174.62 172.83 1lml n PRO 537 N 4.77 1.65 0.00 4.92 -0.02 -1.26 -1.30 135.00 143.76 1lml n PRO 537 Ca 0.06 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1lml n PRO 537 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1lml n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lml n GLY 538 N 3.70 2.88 3.85 -1.23 0.00 -0.01 -5.00 105.19 109.39 1lml n GLY 538 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1lml n GLY 538 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lml s LEU 539 N 0.00 3.93 0.16 0.99 1.43 -0.42 -4.78 118.68 119.99 1lml s LEU 539 Ca 0.00 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 1lml s LEU 539 Cb 0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1lml s LEU 539 CO 0.00 -0.32 0.22 -0.13 0.23 0.00 0.00 176.35 176.34 1lml s ARG 540 N -3.40 3.18 -0.15 1.70 0.52 -1.26 -1.33 118.95 118.21 1lml s ARG 540 Ca 0.54 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1lml s ARG 540 Cb -0.10 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.59 1lml s ARG 540 CO 0.23 0.50 -0.09 0.08 0.02 0.00 0.00 175.30 176.03 1lml s VAL 541 N -1.77 1.31 -0.28 3.52 1.01 0.18 -4.94 120.40 119.43 1lml s VAL 541 Ca 0.33 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1lml s VAL 541 Cb -0.10 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1lml s VAL 541 CO 0.26 0.31 1.29 -0.70 0.00 0.00 0.00 175.10 176.26 1lml s GLU 542 N 1.57 3.96 0.51 2.72 2.12 -1.26 -1.10 118.70 127.22 1lml s GLU 542 Ca 0.03 1.30 0.25 0.00 0.36 0.00 0.00 54.97 56.91 1lml s GLU 542 Cb -0.14 -3.86 1.34 0.00 0.26 0.00 0.00 34.13 31.73 1lml s GLU 542 CO -0.09 -1.05 1.94 -0.07 -0.54 0.00 0.00 175.26 175.45 1lml h LEU 543 N 10.69 0.10 -1.79 2.70 3.38 -1.53 -2.08 115.31 126.78 1lml h LEU 543 Ca -0.26 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1lml h LEU 543 Cb 1.10 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1lml h LEU 543 CO 1.02 0.05 -0.05 0.77 0.09 0.00 0.00 178.44 180.32 1lml h SER 544 N 0.10 0.00 0.64 -0.43 4.64 -1.77 0.20 113.55 116.93 1lml h SER 544 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1lml h SER 544 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1lml h SER 544 CO -0.04 0.05 -0.14 0.35 -0.87 0.00 0.00 176.83 176.18 1lml n THR 545 N -3.22 0.00 -0.20 2.95 -2.24 -0.78 -3.96 114.28 106.83 1lml n THR 545 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1lml n THR 545 Cb 0.26 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1lml n THR 545 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1lml n VAL 546 N -1.30 0.00 -3.68 2.28 0.24 -0.99 -5.09 118.33 109.79 1lml n VAL 546 Ca 0.10 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1lml n VAL 546 Cb 0.31 1.20 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 1lml n VAL 546 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lml s SER 547 N -0.22 -0.46 0.00 -1.34 0.15 0.66 -4.14 113.70 108.34 1lml s SER 547 Ca 0.00 0.69 0.21 0.00 0.70 0.00 0.00 55.95 57.55 1lml s SER 547 Cb 0.00 0.72 0.53 0.00 -1.71 0.00 0.00 66.02 65.56 1lml s SER 547 CO 0.00 -0.35 1.45 0.59 1.20 0.00 0.00 173.24 176.13 1lml n ASN 548 N 1.95 3.66 -0.02 5.45 3.02 -1.26 -3.89 115.26 124.17 1lml n ASN 548 Ca -0.17 -1.99 0.13 0.00 -0.03 0.00 0.00 54.58 52.52 1lml n ASN 548 Cb 0.56 -0.38 0.44 0.00 -0.61 0.00 0.00 39.78 39.80 1lml n ASN 548 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lml n ALA 549 N 1.47 2.96 -2.43 5.41 0.00 -1.26 -4.89 120.51 121.77 1lml n ALA 549 Ca 0.21 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1lml n ALA 549 Cb 0.59 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 1lml n ALA 549 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lml s PHE 550 N -2.92 2.05 0.71 0.00 0.40 -1.26 -2.64 117.98 114.32 1lml s PHE 550 Ca 0.15 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1lml s PHE 550 Cb 0.18 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.79 1lml s PHE 550 CO 0.60 0.51 1.07 -1.21 0.70 0.00 0.00 175.22 176.90 1lml s GLU 551 N -3.27 2.79 0.74 0.44 0.41 -0.48 -4.74 118.70 114.59 1lml s GLU 551 Ca 0.24 0.76 -0.13 0.00 -0.41 0.00 0.00 54.97 55.42 1lml s GLU 551 Cb -0.04 -1.99 0.05 0.00 -1.78 0.00 0.00 34.13 30.36 1lml s GLU 551 CO 0.10 -1.15 1.14 0.20 -0.49 0.00 0.00 175.26 175.06 1lml s GLY 552 N -3.97 2.03 0.00 -1.39 0.00 -1.26 -3.19 107.32 99.54 1lml s GLY 552 Ca 0.58 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1lml s GLY 552 CO 0.54 0.96 0.00 0.61 0.00 0.00 0.00 173.10 175.21 1lml n GLY 553 N -0.31 2.81 3.76 0.20 0.00 -1.26 -4.99 105.19 105.40 1lml n GLY 553 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1lml n GLY 553 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lml s GLY 554 N -1.22 2.72 0.24 -0.02 0.00 -1.19 -4.95 107.32 102.90 1lml s GLY 554 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.06 1lml s GLY 554 CO 0.00 2.11 0.14 -2.52 0.00 0.00 0.00 173.10 172.83 1lml s TYR 555 N -0.68 1.37 -0.01 1.90 -0.85 -0.53 -1.29 117.35 117.26 1lml s TYR 555 Ca 0.54 -1.37 0.03 0.00 -0.52 0.00 0.00 57.07 55.74 1lml s TYR 555 Cb -0.42 -0.69 -0.00 0.00 0.38 0.00 0.00 41.96 41.23 1lml s TYR 555 CO 0.51 -0.59 -0.09 -1.50 -1.52 0.00 0.00 175.55 172.36 1lml s ILE 556 N -3.92 0.72 -0.22 -3.49 1.10 -0.26 -2.27 121.20 112.87 1lml s ILE 556 Ca 0.38 -0.37 -0.08 0.00 -0.51 0.00 0.00 60.65 60.07 1lml s ILE 556 Cb 0.06 -0.62 -0.04 0.00 0.15 0.00 0.00 42.46 42.02 1lml s ILE 556 CO 0.15 0.21 0.09 -0.89 -2.11 0.00 0.00 174.94 172.39 1lml s THR 557 N -0.10 4.82 -0.12 4.00 2.01 -0.27 -0.65 115.64 125.33 1lml s THR 557 Ca 0.02 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1lml s THR 557 Cb -0.05 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1lml s THR 557 CO -0.00 0.39 1.60 0.00 -0.69 0.00 0.00 174.62 175.92 1lml s PRO 559 N 4.18 1.57 0.56 0.00 0.04 -1.26 -0.83 135.00 139.27 1lml s PRO 559 Ca 0.71 0.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 1lml s PRO 559 Cb -0.29 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1lml s PRO 559 CO 0.28 -1.95 0.87 -2.30 0.04 0.00 0.00 177.00 173.93 1lml n PRO 560 N -3.63 0.88 -0.16 0.56 -0.02 -1.26 -4.37 135.00 126.99 1lml n PRO 560 Ca 0.07 0.34 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 1lml n PRO 560 Cb 0.57 -2.04 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 1lml n PRO 560 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1lml h TYR 561 N 0.60 0.19 -0.05 6.00 3.20 -1.95 -2.40 116.97 122.57 1lml h TYR 561 Ca -0.47 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 1lml h TYR 561 Cb 1.37 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1lml h TYR 561 CO 0.37 0.02 0.02 -0.39 -1.64 0.00 0.00 178.16 176.53 1lml h VAL 562 N 0.26 1.02 0.00 1.81 -1.51 -1.96 -0.49 116.25 115.38 1lml h VAL 562 Ca 0.25 -0.06 -0.07 0.00 -1.23 0.00 0.00 66.70 65.59 1lml h VAL 562 Cb 0.32 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1lml h VAL 562 CO -0.31 0.02 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.39 1lml h GLU 563 N 0.06 0.00 0.00 5.19 5.08 -1.79 -2.47 114.58 120.64 1lml h GLU 563 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1lml h GLU 563 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1lml h GLU 563 CO -0.00 0.34 -0.46 1.33 -1.00 0.00 0.00 179.01 179.22 1lml n VAL 564 N -3.64 0.00 -0.02 3.13 0.24 -1.02 -4.77 118.33 112.26 1lml n VAL 564 Ca -0.01 -0.32 0.01 0.00 -2.04 0.00 0.00 64.34 61.98 1lml n VAL 564 Cb 0.45 0.89 -0.05 0.00 -1.47 0.00 0.00 33.84 33.66 1lml n VAL 564 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lml s GLN 566 N -2.34 3.89 0.00 0.00 0.74 -0.93 -1.89 119.66 119.14 1lml s GLN 566 Ca -0.03 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.23 1lml s GLN 566 Cb 0.03 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 30.11 1lml s GLN 566 CO 0.27 -1.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.24 1lml n GLY 567 N 4.53 1.12 3.32 2.59 0.00 -1.26 -4.96 105.19 110.53 1lml n GLY 567 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1lml n GLY 567 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lml n ASN 568 N 0.00 5.41 -0.25 1.61 2.85 -0.79 -4.59 115.26 119.51 1lml n ASN 568 Ca 0.00 -3.05 -0.07 0.00 -0.11 0.00 0.00 54.58 51.36 1lml n ASN 568 Cb 0.00 -1.47 0.04 0.00 1.24 0.00 0.00 39.78 39.59 1lml n ASN 568 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1lml h VAL 569 N 4.11 1.24 -0.87 3.44 2.07 -1.85 -2.98 116.25 121.40 1lml h VAL 569 Ca 0.27 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1lml h VAL 569 Cb 0.82 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1lml h VAL 569 CO 1.22 0.28 0.57 -0.61 0.02 0.00 0.00 177.57 179.05 1lml h GLN 570 N 0.95 1.10 -0.27 1.57 5.75 -1.86 -2.13 115.11 120.23 1lml h GLN 570 Ca 0.23 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1lml h GLN 570 Cb 0.16 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1lml h GLN 570 CO -0.02 0.73 -0.02 0.00 -2.65 0.00 0.00 178.83 176.87 1lml h ALA 571 N 1.34 1.48 0.00 3.38 0.00 -1.73 -2.14 119.26 121.60 1lml h ALA 571 Ca 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1lml h ALA 571 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1lml h ALA 571 CO -0.09 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.40 1lml h ALA 572 N 1.60 1.06 0.00 0.00 0.00 -1.25 -0.49 119.26 120.18 1lml h ALA 572 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lml h ALA 572 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1lml h ALA 572 CO 0.01 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.05 1lml n LYS 573 N -3.33 0.28 -0.19 0.00 4.76 -0.80 -4.85 118.16 114.03 1lml n LYS 573 Ca -0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1lml n LYS 573 Cb 0.34 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1lml n LYS 573 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78