#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddr n ASP 114 N 0.00 2.44 0.33 1.20 5.68 -1.26 -4.86 116.55 120.08 3ddr n ASP 114 Ca 0.00 -3.13 0.22 0.00 -0.50 0.00 0.00 54.79 51.38 3ddr n ASP 114 Cb 0.00 -0.54 1.12 0.00 -1.14 0.00 0.00 41.12 40.56 3ddr n ASP 114 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3ddr h TRP 115 N 2.90 0.00 -0.55 2.11 5.08 -2.03 -2.88 115.95 120.58 3ddr h TRP 115 Ca 0.06 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.08 3ddr h TRP 115 Cb 0.99 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.12 3ddr h TRP 115 CO 0.61 0.00 0.37 -0.24 -1.28 0.00 0.00 178.44 177.89 3ddr h VAL 116 N 0.00 1.03 0.00 0.12 3.04 -1.93 -0.55 116.25 117.96 3ddr h VAL 116 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3ddr h VAL 116 Cb 0.10 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 3ddr h VAL 116 CO 0.00 0.11 0.00 -1.22 -1.01 0.00 0.00 177.57 175.45 3ddr n TYR 117 N -4.47 0.00 0.04 3.17 4.01 -1.09 -2.15 117.16 116.67 3ddr n TYR 117 Ca 0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.87 3ddr n TYR 117 Cb 0.19 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3ddr n TYR 117 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3ddr n ASP 118 N -0.83 2.64 -4.47 7.72 2.03 -0.21 -4.71 116.55 118.71 3ddr n ASP 118 Ca 0.14 -1.83 -0.33 0.00 0.52 0.00 0.00 54.79 53.29 3ddr n ASP 118 Cb 0.06 -0.16 -0.13 0.00 -0.72 0.00 0.00 41.12 40.18 3ddr n ASP 118 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ddr s GLU 119 N -0.99 3.40 -1.27 -0.67 2.56 -0.91 -5.03 118.70 115.77 3ddr s GLU 119 Ca 0.21 -0.58 -0.13 0.00 0.00 0.00 0.00 54.97 54.46 3ddr s GLU 119 Cb 0.12 -2.75 -0.05 0.00 2.00 0.00 0.00 34.13 33.45 3ddr s GLU 119 CO 0.16 0.31 2.33 -2.30 -0.56 0.00 0.00 175.26 175.20 3ddr n PRO 120 N 3.28 2.66 0.00 4.30 -0.02 -1.26 -4.78 135.00 139.18 3ddr n PRO 120 Ca -0.18 -2.17 0.00 0.00 -2.02 0.00 0.00 63.50 59.13 3ddr n PRO 120 Cb 0.53 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3ddr n PRO 120 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3ddr n ARG 121 N 5.39 0.00 -2.64 -0.52 1.85 -1.26 -4.81 116.66 114.66 3ddr n ARG 121 Ca 0.57 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 57.00 3ddr n ARG 121 Cb 0.31 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 3ddr n ARG 121 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3ddr s SER 122 N 0.00 6.30 0.20 2.89 0.01 -1.26 -4.97 113.70 116.87 3ddr s SER 122 Ca 0.00 -0.97 0.04 0.00 1.31 0.00 0.00 55.95 56.33 3ddr s SER 122 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3ddr s SER 122 CO 0.00 -1.61 -0.03 0.54 0.41 0.00 0.00 173.24 172.55 3ddr s VAL 123 N 4.95 1.04 0.03 3.43 0.11 -1.26 -1.65 120.40 127.05 3ddr s VAL 123 Ca 0.36 -2.04 -0.27 0.00 -2.93 0.00 0.00 61.98 57.09 3ddr s VAL 123 Cb -0.07 -2.18 0.08 0.00 -1.53 0.00 0.00 36.38 32.68 3ddr s VAL 123 CO 0.05 -0.46 0.71 -0.55 -3.33 0.00 0.00 175.10 171.52 3ddr s SER 124 N -3.25 -0.55 0.04 3.54 0.15 -1.19 -4.93 113.70 107.51 3ddr s SER 124 Ca 0.25 0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.24 3ddr s SER 124 Cb 0.05 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 3ddr s SER 124 CO 0.06 -0.72 -0.13 0.68 1.20 0.00 0.00 173.24 174.32 3ddr s VAL 125 N -2.47 1.05 -0.50 4.45 -7.23 -1.26 -1.08 120.40 113.36 3ddr s VAL 125 Ca -0.03 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 3ddr s VAL 125 Cb -0.01 -0.96 0.04 0.00 0.56 0.00 0.00 36.38 36.01 3ddr s VAL 125 CO -0.03 -0.04 0.79 -0.63 -0.31 0.00 0.00 175.10 174.88 3ddr s ILE 126 N -0.90 4.62 0.64 -0.62 -1.09 0.11 -4.99 121.20 118.97 3ddr s ILE 126 Ca 0.00 0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.34 3ddr s ILE 126 Cb -0.08 -4.39 -0.01 0.00 -1.58 0.00 0.00 42.46 36.40 3ddr s ILE 126 CO 0.01 -0.88 1.24 -0.94 -1.23 0.00 0.00 174.94 173.14 3ddr s SER 127 N 2.54 4.80 0.39 3.58 1.04 -1.26 -3.01 113.70 121.79 3ddr s SER 127 Ca 0.25 2.48 0.09 0.00 0.48 0.00 0.00 55.95 59.25 3ddr s SER 127 Cb -0.14 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.18 3ddr s SER 127 CO 0.18 -1.86 1.96 -0.09 0.98 0.00 0.00 173.24 174.41 3ddr h ARG 128 N 0.57 0.34 -0.60 4.02 9.65 -1.93 -2.70 114.38 123.72 3ddr h ARG 128 Ca -0.50 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.22 3ddr h ARG 128 Cb 1.31 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 3ddr h ARG 128 CO 0.53 0.37 -0.01 0.93 2.80 0.00 0.00 179.97 184.59 3ddr h GLU 129 N 0.33 1.06 -0.48 0.20 5.08 -1.93 -1.31 114.58 117.52 3ddr h GLU 129 Ca 0.08 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3ddr h GLU 129 Cb 0.24 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3ddr h GLU 129 CO 0.01 1.04 0.25 0.37 -1.00 0.00 0.00 179.01 179.68 3ddr h GLN 130 N 0.97 0.68 0.00 2.33 4.15 -1.86 -0.43 115.11 120.94 3ddr h GLN 130 Ca 0.17 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ddr h GLN 130 Cb 0.57 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3ddr h GLN 130 CO 0.03 0.55 0.00 -1.33 -1.93 0.00 0.00 178.83 176.15 3ddr n MET 131 N -4.65 0.01 -0.04 1.69 2.81 -1.01 -1.58 117.12 114.35 3ddr n MET 131 Ca 0.02 0.29 -0.16 0.00 -1.81 0.00 0.00 57.70 56.04 3ddr n MET 131 Cb 0.10 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 30.94 3ddr n MET 131 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ddr n ASP 132 N -1.55 1.52 0.09 7.83 8.00 -0.46 -4.08 116.55 127.90 3ddr n ASP 132 Ca 0.03 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.54 3ddr n ASP 132 Cb 0.15 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 40.76 3ddr n ASP 132 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ddr h ASN 133 N 0.03 0.43 -2.87 -2.24 2.35 -0.95 -3.38 115.58 108.95 3ddr h ASN 133 Ca -0.43 -0.51 -0.65 0.00 -0.55 0.00 0.00 56.30 54.16 3ddr h ASN 133 Cb 2.03 -0.14 -0.39 0.00 0.05 0.00 0.00 38.32 39.87 3ddr h ASN 133 CO 0.05 1.41 -0.36 -1.14 -1.65 0.00 0.00 177.43 175.74 3ddr n ARG 134 N -3.51 2.44 -1.75 0.81 0.63 -0.62 -4.71 116.66 109.96 3ddr n ARG 134 Ca -0.12 -4.55 -0.42 0.00 -0.92 0.00 0.00 57.85 51.84 3ddr n ARG 134 Cb 1.04 -2.33 -0.01 0.00 0.45 0.00 0.00 32.46 31.61 3ddr n ARG 134 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3ddr n PRO 135 N 1.67 2.58 -1.96 -0.14 -0.02 -1.26 -4.69 135.00 131.18 3ddr n PRO 135 Ca 0.24 0.91 -0.28 0.00 -2.02 0.00 0.00 63.50 62.35 3ddr n PRO 135 Cb 0.37 -2.65 0.09 0.00 -0.02 0.00 0.00 33.50 31.30 3ddr n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr s ALA 136 N -0.51 2.71 0.00 3.55 0.00 -1.26 -4.99 121.76 121.27 3ddr s ALA 136 Ca 0.60 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3ddr s ALA 136 Cb -0.51 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3ddr s ALA 136 CO 0.55 -1.67 0.00 2.89 0.00 0.00 0.00 175.76 177.54 3ddr n ARG 137 N -3.28 2.43 -4.97 0.00 1.85 -1.26 -5.03 116.66 106.40 3ddr n ARG 137 Ca 0.09 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.66 3ddr n ARG 137 Cb 0.61 -0.79 -0.16 0.00 -1.05 0.00 0.00 32.46 31.07 3ddr n ARG 137 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3ddr s HIS 138 N -1.33 1.87 0.26 2.89 2.46 -1.26 -5.04 115.29 115.14 3ddr s HIS 138 Ca 0.00 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 54.96 3ddr s HIS 138 Cb 0.00 -1.23 0.38 0.00 -0.13 0.00 0.00 32.58 31.60 3ddr s HIS 138 CO 0.00 -0.11 1.56 0.00 -2.47 0.00 0.00 174.74 173.72 3ddr h ALA 139 N 5.93 0.47 -0.46 1.58 0.00 -1.85 0.17 119.26 125.10 3ddr h ALA 139 Ca -0.35 0.35 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3ddr h ALA 139 Cb 1.16 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 3ddr h ALA 139 CO 0.48 -0.47 0.52 0.00 0.00 0.00 0.00 179.25 179.78 3ddr h ALA 140 N 1.77 2.18 -0.04 0.00 0.00 -1.90 -2.08 119.26 119.18 3ddr h ALA 140 Ca 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 3ddr h ALA 140 Cb 0.68 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ddr h ALA 140 CO -1.01 -0.76 -0.05 -0.44 0.00 0.00 0.00 179.25 176.99 3ddr h ASP 141 N 0.00 0.05 0.32 0.00 3.32 -1.08 -1.45 116.42 117.58 3ddr h ASP 141 Ca 0.22 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ddr h ASP 141 Cb 1.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3ddr h ASP 141 CO -0.00 0.11 0.00 2.30 -1.72 0.00 0.00 179.24 179.93 3ddr n ILE 142 N -4.45 1.05 1.26 0.35 -5.35 -0.78 -2.63 119.36 108.81 3ddr n ILE 142 Ca -0.02 0.49 0.14 0.00 -0.27 0.00 0.00 62.75 63.08 3ddr n ILE 142 Cb 0.15 -1.44 0.54 0.00 -1.74 0.00 0.00 39.64 37.15 3ddr n ILE 142 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ddr n LEU 143 N -2.13 0.43 0.22 7.28 4.32 -0.54 -4.29 117.00 122.29 3ddr n LEU 143 Ca 0.00 0.07 0.15 0.00 -0.02 0.00 0.00 56.01 56.22 3ddr n LEU 143 Cb 0.12 -0.24 0.63 0.00 -1.62 0.00 0.00 43.42 42.30 3ddr n LEU 143 CO 0.13 0.09 0.94 -0.33 -1.22 0.00 0.00 177.39 177.00 3ddr h GLU 144 N 0.42 0.00 -0.39 3.23 5.08 -1.69 -2.88 114.58 118.35 3ddr h GLU 144 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3ddr h GLU 144 Cb 0.41 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 3ddr h GLU 144 CO 0.00 0.00 0.04 1.04 -1.00 0.00 0.00 179.01 179.09 3ddr n GLN 145 N -2.74 2.44 -4.05 2.33 6.02 -1.26 -4.68 117.38 115.45 3ddr n GLN 145 Ca 0.01 -3.03 -0.30 0.00 -0.01 0.00 0.00 57.00 53.67 3ddr n GLN 145 Cb 0.26 -1.89 -0.17 0.00 1.02 0.00 0.00 30.24 29.47 3ddr n GLN 145 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ddr s THR 146 N -3.07 1.50 0.27 5.09 2.01 -1.09 -4.90 115.64 115.44 3ddr s THR 146 Ca 0.45 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 3ddr s THR 146 Cb 0.39 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 71.39 3ddr s THR 146 CO 0.05 0.45 1.44 0.42 -0.69 0.00 0.00 174.62 176.29 3ddr s THR 147 N 1.46 2.57 0.00 -0.82 -4.23 -1.26 -1.92 115.64 111.45 3ddr s THR 147 Ca 0.04 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 3ddr s THR 147 Cb -0.13 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.39 3ddr s THR 147 CO -0.09 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3ddr n GLY 148 N 1.95 1.91 3.79 3.99 0.00 -1.26 -5.02 105.19 110.54 3ddr n GLY 148 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ddr n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddr s ALA 149 N -2.42 3.69 0.22 4.61 0.00 -0.81 -0.22 121.76 126.83 3ddr s ALA 149 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3ddr s ALA 149 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 3ddr s ALA 149 CO 0.00 0.31 0.41 0.71 0.00 0.00 0.00 175.76 177.20 3ddr s TYR 150 N -0.27 0.37 -0.06 0.00 1.51 0.10 -4.88 117.35 114.13 3ddr s TYR 150 Ca 0.17 -0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3ddr s TYR 150 Cb -0.14 0.10 0.04 0.00 -0.11 0.00 0.00 41.96 41.86 3ddr s TYR 150 CO 0.06 -0.89 0.11 0.45 -1.11 0.00 0.00 175.55 174.17 3ddr s SER 151 N -3.00 0.37 -0.81 2.29 0.15 -1.26 0.29 113.70 111.74 3ddr s SER 151 Ca 0.21 0.22 -0.22 0.00 0.70 0.00 0.00 55.95 56.86 3ddr s SER 151 Cb 0.01 0.11 -0.15 0.00 -1.71 0.00 0.00 66.02 64.27 3ddr s SER 151 CO 0.06 -0.19 1.92 -1.20 1.20 0.00 0.00 173.24 175.02 3ddr n SER 152 N 4.71 2.56 -4.90 5.45 7.64 -1.26 -4.12 113.62 123.70 3ddr n SER 152 Ca -0.17 -2.68 -0.34 0.00 1.01 0.00 0.00 58.87 56.69 3ddr n SER 152 Cb 0.51 -1.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 3ddr n SER 152 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ddr s VAL 153 N 5.96 5.44 -0.12 0.44 0.11 -1.26 -4.45 120.40 126.53 3ddr s VAL 153 Ca 0.59 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.61 3ddr s VAL 153 Cb 0.12 -3.51 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 3ddr s VAL 153 CO 0.13 0.40 -0.14 -0.55 -3.33 0.00 0.00 175.10 171.61 3ddr s SER 154 N -1.71 2.43 0.00 3.54 0.15 -1.26 -1.41 113.70 115.44 3ddr s SER 154 Ca 0.24 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.51 3ddr s SER 154 Cb -0.13 -1.07 0.16 0.00 -1.71 0.00 0.00 66.02 63.28 3ddr s SER 154 CO 0.15 -0.01 0.87 0.00 1.20 0.00 0.00 173.24 175.44 3ddr n GLN 155 N 4.39 0.06 0.00 5.44 1.13 -1.26 -1.46 117.38 125.68 3ddr n GLN 155 Ca -0.18 0.20 0.11 0.00 -1.94 0.00 0.00 57.00 55.19 3ddr n GLN 155 Cb 0.51 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.24 3ddr n GLN 155 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ddr n GLN 156 N -1.23 0.32 -3.90 -1.09 6.02 -1.26 -4.45 117.38 111.79 3ddr n GLN 156 Ca 0.02 -0.08 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 3ddr n GLN 156 Cb 0.02 -1.53 -0.14 0.00 1.02 0.00 0.00 30.24 29.62 3ddr n GLN 156 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ddr s ASP 157 N -3.78 4.70 0.00 1.08 -1.08 -0.53 -4.73 116.67 112.33 3ddr s ASP 157 Ca 0.01 -0.99 0.09 0.00 -0.52 0.00 0.00 52.55 51.14 3ddr s ASP 157 Cb 0.15 -1.73 0.39 0.00 -1.46 0.00 0.00 42.92 40.27 3ddr s ASP 157 CO 0.87 -0.19 1.28 -2.65 0.52 0.00 0.00 175.17 175.01 3ddr n PRO 158 N 4.70 0.01 -1.18 4.34 -0.02 -1.26 -4.62 135.00 136.96 3ddr n PRO 158 Ca -0.15 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 3ddr n PRO 158 Cb 0.46 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.55 3ddr n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr n ALA 159 N -1.49 -0.11 -4.06 3.55 0.00 -1.26 -4.63 120.51 112.52 3ddr n ALA 159 Ca 0.02 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 3ddr n ALA 159 Cb 0.10 -2.21 -0.16 0.00 0.00 0.00 0.00 19.45 17.19 3ddr n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ddr s LEU 160 N -4.86 2.11 -0.12 0.00 2.96 -0.69 -4.86 118.68 113.21 3ddr s LEU 160 Ca 0.73 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3ddr s LEU 160 Cb -0.30 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3ddr s LEU 160 CO 0.51 0.01 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.90 3ddr s SER 161 N 1.23 4.30 -0.26 3.68 0.15 -1.26 -1.80 113.70 119.75 3ddr s SER 161 Ca 0.03 -0.22 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 3ddr s SER 161 Cb -0.13 -1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 3ddr s SER 161 CO -0.11 0.21 0.15 -0.69 1.20 0.00 0.00 173.24 173.99 3ddr s VAL 162 N 0.12 5.09 -0.20 4.45 1.01 -1.26 -4.48 120.40 125.13 3ddr s VAL 162 Ca -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3ddr s VAL 162 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3ddr s VAL 162 CO 0.04 0.30 -0.01 0.21 0.00 0.00 0.00 175.10 175.64 3ddr s ASN 163 N 1.47 4.75 -0.41 3.32 3.84 0.15 -4.69 114.94 123.38 3ddr s ASN 163 Ca 0.07 -0.22 -0.04 0.00 0.21 0.00 0.00 52.86 52.87 3ddr s ASN 163 Cb -0.15 -1.81 0.10 0.00 -0.55 0.00 0.00 41.25 38.84 3ddr s ASN 163 CO 0.07 0.06 0.21 -0.63 -2.79 0.00 0.00 177.10 174.02 3ddr s ILE 164 N 1.02 3.48 -0.75 -5.21 1.01 -0.72 0.03 121.20 120.06 3ddr s ILE 164 Ca 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.78 3ddr s ILE 164 Cb -0.14 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3ddr s ILE 164 CO 0.01 -0.62 0.00 0.54 0.00 0.00 0.00 174.94 174.87 3ddr n ARG 165 N 4.67 -0.61 0.00 2.79 1.74 0.69 -2.78 116.66 123.17 3ddr n ARG 165 Ca -0.05 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3ddr n ARG 165 Cb 0.42 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.41 3ddr n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ddr n GLY 166 N -1.40 1.29 3.79 -0.13 0.00 -1.26 -4.74 105.19 102.73 3ddr n GLY 166 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3ddr n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddr s ILE 167 N -2.35 4.96 0.00 -0.61 1.01 -1.12 -4.78 121.20 118.31 3ddr s ILE 167 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3ddr s ILE 167 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3ddr s ILE 167 CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.43 3ddr n GLN 168 N 2.36 1.19 -4.33 2.79 10.64 -1.26 -1.75 117.38 127.02 3ddr n GLN 168 Ca -0.10 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.83 3ddr n GLN 168 Cb 0.51 -0.10 -0.08 0.00 -0.86 0.00 0.00 30.24 29.71 3ddr n GLN 168 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ddr s ASP 169 N 0.00 4.20 -1.46 2.61 1.01 -1.26 -4.71 116.67 117.07 3ddr s ASP 169 Ca 0.00 -0.94 -0.02 0.00 0.71 0.00 0.00 52.55 52.29 3ddr s ASP 169 Cb 0.00 -0.56 0.02 0.00 1.01 0.00 0.00 42.92 43.39 3ddr s ASP 169 CO 0.00 -0.19 0.42 -1.22 0.21 0.00 0.00 175.17 174.39 3ddr n TYR 170 N -0.93 -1.63 -0.98 4.23 4.01 -0.19 -0.12 117.16 121.55 3ddr n TYR 170 Ca -0.04 0.74 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 3ddr n TYR 170 Cb 0.62 -3.56 0.00 0.00 -0.31 0.00 0.00 39.34 36.08 3ddr n TYR 170 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddr n GLY 171 N -1.98 0.41 0.34 2.72 0.00 -1.26 -4.86 105.19 100.56 3ddr n GLY 171 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 3ddr n GLY 171 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ddr h ARG 172 N 0.90 1.02 -4.73 1.61 3.08 -0.59 -3.33 114.38 112.35 3ddr h ARG 172 Ca 0.00 -0.12 -0.69 0.00 0.07 0.00 0.00 59.98 59.24 3ddr h ARG 172 Cb 0.24 -0.20 -0.25 0.00 0.08 0.00 0.00 29.97 29.84 3ddr h ARG 172 CO 0.00 0.77 -0.58 0.08 -1.07 0.00 0.00 179.97 179.17 3ddr s VAL 173 N -5.64 4.23 -0.76 2.04 1.01 -1.26 -0.56 120.40 119.47 3ddr s VAL 173 Ca -0.11 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 3ddr s VAL 173 Cb 0.17 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 3ddr s VAL 173 CO 0.80 -0.04 2.11 0.21 0.00 0.00 0.00 175.10 178.18 3ddr s ASN 174 N 1.52 4.75 -0.03 3.32 3.84 -0.63 -4.88 114.94 122.84 3ddr s ASN 174 Ca 0.02 -0.07 -0.29 0.00 0.21 0.00 0.00 52.86 52.73 3ddr s ASN 174 Cb -0.18 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 3ddr s ASN 174 CO 0.04 -2.99 0.96 -0.04 -2.79 0.00 0.00 177.10 172.29 3ddr s MET 175 N 7.66 4.52 0.03 0.43 -1.94 -1.26 -0.94 119.30 127.80 3ddr s MET 175 Ca 0.79 1.37 -0.16 0.00 -1.71 0.00 0.00 55.69 55.98 3ddr s MET 175 Cb -0.11 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 33.28 3ddr s MET 175 CO 0.09 -0.09 0.34 0.54 -0.01 0.00 0.00 175.02 175.89 3ddr s ASN 176 N 1.01 -0.19 -0.27 3.03 2.20 -0.96 -0.76 114.94 119.00 3ddr s ASN 176 Ca 0.50 -0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.33 3ddr s ASN 176 Cb -0.20 0.37 0.02 0.00 -2.00 0.00 0.00 41.25 39.43 3ddr s ASN 176 CO 0.25 -0.58 0.00 -0.63 -2.94 0.00 0.00 177.10 173.20 3ddr s ILE 177 N -2.17 3.38 -1.46 0.54 1.01 -0.37 0.02 121.20 122.16 3ddr s ILE 177 Ca -0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 3ddr s ILE 177 Cb -0.02 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.76 3ddr s ILE 177 CO -0.01 0.16 0.52 0.47 0.00 0.00 0.00 174.94 176.08 3ddr n ASP 178 N 4.76 -5.27 0.00 3.58 8.00 -0.28 -0.91 116.55 126.43 3ddr n ASP 178 Ca -0.16 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3ddr n ASP 178 Cb 0.48 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3ddr n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 179 N -1.36 2.27 3.65 0.44 0.00 -1.26 -5.02 105.19 103.91 3ddr n GLY 179 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3ddr n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ddr s MET 180 N -0.48 4.18 -0.01 1.61 -1.94 -0.09 -4.98 119.30 117.59 3ddr s MET 180 Ca 0.00 1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 54.87 3ddr s MET 180 Cb 0.00 -3.67 -0.06 0.00 2.01 0.00 0.00 34.83 33.10 3ddr s MET 180 CO 0.00 -0.71 1.57 1.03 -0.01 0.00 0.00 175.02 176.90 3ddr s ARG 181 N 3.29 4.22 -0.48 2.03 0.52 -1.26 -1.24 118.95 126.03 3ddr s ARG 181 Ca 0.43 2.15 -0.22 0.00 -0.52 0.00 0.00 55.73 57.56 3ddr s ARG 181 Cb -0.14 -3.75 0.03 0.00 0.52 0.00 0.00 34.95 31.61 3ddr s ARG 181 CO 0.09 -0.73 0.78 -0.65 0.02 0.00 0.00 175.30 174.81 3ddr s GLN 182 N 3.16 3.33 0.00 3.54 -1.52 0.06 -4.90 119.66 123.33 3ddr s GLN 182 Ca 0.70 -0.30 0.03 0.00 -1.95 0.00 0.00 55.36 53.84 3ddr s GLN 182 Cb -0.34 -3.99 0.06 0.00 -0.22 0.00 0.00 33.01 28.52 3ddr s GLN 182 CO 0.29 -1.21 0.92 0.09 -0.25 0.00 0.00 175.29 175.13 3ddr n ASN 183 N 6.76 1.93 -4.76 5.90 3.02 -1.26 -4.54 115.26 122.31 3ddr n ASN 183 Ca 0.00 -1.73 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 3ddr n ASN 183 Cb 0.48 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 3ddr n ASN 183 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ddr s PHE 184 N -0.76 2.91 0.01 3.10 5.36 -1.25 -4.85 117.98 122.50 3ddr s PHE 184 Ca 0.05 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3ddr s PHE 184 Cb 0.03 -3.85 -0.01 0.00 -0.34 0.00 0.00 43.02 38.85 3ddr s PHE 184 CO 0.04 -2.64 -0.02 -1.14 -1.46 0.00 0.00 175.22 170.00 3ddr s GLN 185 N -1.06 0.17 -0.19 10.12 -0.44 -1.26 -0.43 119.66 126.57 3ddr s GLN 185 Ca 0.56 -0.28 -0.04 0.00 -2.50 0.00 0.00 55.36 53.10 3ddr s GLN 185 Cb -0.43 0.00 0.09 0.00 -1.64 0.00 0.00 33.01 31.03 3ddr s GLN 185 CO 0.50 -0.01 0.22 0.21 0.50 0.00 0.00 175.29 176.71 3ddr s LYS 186 N -0.64 0.18 0.28 1.67 2.20 -1.26 -4.92 119.74 117.24 3ddr s LYS 186 Ca -0.06 0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 3ddr s LYS 186 Cb -0.04 -1.12 -0.14 0.00 -1.51 0.00 0.00 37.83 35.02 3ddr s LYS 186 CO -0.00 -0.62 1.23 0.43 -0.36 0.00 0.00 175.35 176.02 3ddr n SER 187 N 5.32 2.15 0.00 1.43 7.64 -1.26 -4.90 113.62 124.00 3ddr n SER 187 Ca -0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3ddr n SER 187 Cb 0.50 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3ddr n SER 187 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddr n GLY 188 N 1.46 4.00 0.72 0.23 0.00 -1.26 -4.99 105.19 105.35 3ddr n GLY 188 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.87 3ddr n GLY 188 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ddr n HIS 189 N 0.00 0.45 -0.85 1.61 8.25 -1.26 -4.87 115.22 118.55 3ddr n HIS 189 Ca 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3ddr n HIS 189 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3ddr n HIS 189 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ddr n GLY 190 N 0.30 0.96 0.20 -1.41 0.00 -1.26 -4.74 105.19 99.24 3ddr n GLY 190 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3ddr n GLY 190 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ddr h GLN 191 N 2.45 -0.18 -2.74 1.61 7.50 -1.89 -3.33 115.11 118.54 3ddr h GLN 191 Ca 0.00 0.01 -0.43 0.00 0.50 0.00 0.00 58.65 58.74 3ddr h GLN 191 Cb 0.00 0.04 -0.38 0.00 0.05 0.00 0.00 27.48 27.19 3ddr h GLN 191 CO 0.00 -0.12 -0.71 -0.98 -1.50 0.00 0.00 178.83 175.52 3ddr s ARG 192 N -6.14 0.16 -0.71 1.46 1.70 -1.26 -4.19 118.95 109.97 3ddr s ARG 192 Ca -0.14 -0.14 -0.18 0.00 -0.47 0.00 0.00 55.73 54.80 3ddr s ARG 192 Cb 0.10 -1.35 0.13 0.00 -0.57 0.00 0.00 34.95 33.26 3ddr s ARG 192 CO 0.68 -0.80 0.82 -0.80 -1.08 0.00 0.00 175.30 174.11 3ddr s ASN 193 N 2.20 6.38 0.00 -2.89 0.01 -1.26 -4.72 114.94 114.66 3ddr s ASN 193 Ca 0.06 -1.76 0.00 0.00 -0.71 0.00 0.00 52.86 50.45 3ddr s ASN 193 Cb -0.16 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.19 3ddr s ASN 193 CO -0.20 -1.03 0.00 0.61 -1.51 0.00 0.00 177.10 174.97 3ddr n GLY 194 N 5.10 2.51 3.19 0.66 0.00 -1.26 -1.03 105.19 114.38 3ddr n GLY 194 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3ddr n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 195 N 0.00 0.36 0.21 2.61 -4.23 0.43 -4.52 115.64 110.50 3ddr s THR 195 Ca 0.00 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 3ddr s THR 195 Cb 0.00 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 3ddr s THR 195 CO 0.00 -0.45 0.30 0.00 -0.54 0.00 0.00 174.62 173.93 3ddr s MET 196 N -3.99 1.33 -0.09 3.99 0.23 -0.75 -3.90 119.30 116.12 3ddr s MET 196 Ca 0.25 -1.39 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 3ddr s MET 196 Cb 0.07 0.37 0.01 0.00 -1.53 0.00 0.00 34.83 33.75 3ddr s MET 196 CO 0.03 -0.50 -0.14 0.71 -2.03 0.00 0.00 175.02 173.10 3ddr s TYR 197 N -4.07 1.73 -0.08 3.16 2.02 -1.26 -1.71 117.35 117.14 3ddr s TYR 197 Ca 0.28 -0.74 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 3ddr s TYR 197 Cb 0.03 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3ddr s TYR 197 CO 0.08 -0.39 0.32 -1.50 -1.57 0.00 0.00 175.55 172.50 3ddr s ILE 198 N 0.87 0.02 -0.60 2.71 1.10 -1.26 -4.92 121.20 119.13 3ddr s ILE 198 Ca -0.10 -0.19 0.23 0.00 -0.51 0.00 0.00 60.65 60.08 3ddr s ILE 198 Cb -0.15 -0.52 -0.15 0.00 0.15 0.00 0.00 42.46 41.79 3ddr s ILE 198 CO 0.01 -0.10 0.95 -0.67 -2.11 0.00 0.00 174.94 173.02 3ddr n ASP 199 N 2.28 0.60 0.00 4.50 -0.08 -1.26 -4.73 116.55 117.85 3ddr n ASP 199 Ca -0.16 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 3ddr n ASP 199 Cb 0.57 0.95 0.00 0.00 2.34 0.00 0.00 41.12 44.98 3ddr n ASP 199 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3ddr n SER 200 N -1.94 0.00 0.26 1.67 2.88 -1.26 -4.58 113.62 110.65 3ddr n SER 200 Ca 0.02 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.71 3ddr n SER 200 Cb 0.44 -0.01 0.55 0.00 -0.75 0.00 0.00 64.21 64.44 3ddr n SER 200 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3ddr h GLU 201 N 0.03 0.00 -0.18 -1.46 4.57 -1.98 -2.99 114.58 112.57 3ddr h GLU 201 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3ddr h GLU 201 Cb 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3ddr h GLU 201 CO 0.00 0.00 -0.14 1.28 -1.18 0.00 0.00 179.01 178.98 3ddr n LEU 202 N -3.10 3.37 -4.72 1.64 4.77 -1.26 -4.97 117.00 112.73 3ddr n LEU 202 Ca 0.01 -3.49 -0.35 0.00 -0.03 0.00 0.00 56.01 52.15 3ddr n LEU 202 Cb 0.37 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 3ddr n LEU 202 CO 0.29 1.05 -0.20 -0.76 -1.33 0.00 0.00 177.39 176.43 3ddr s LEU 203 N -3.08 4.09 0.26 2.23 1.43 -1.13 -1.35 118.68 121.14 3ddr s LEU 203 Ca 0.40 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.78 3ddr s LEU 203 Cb 0.36 -2.04 0.33 0.00 0.03 0.00 0.00 46.19 44.86 3ddr s LEU 203 CO 0.01 0.21 1.60 0.77 0.23 0.00 0.00 176.35 179.17 3ddr h SER 204 N 6.44 0.15 0.00 2.29 4.64 -0.66 -3.43 113.55 122.99 3ddr h SER 204 Ca -0.42 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ddr h SER 204 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ddr h SER 204 CO 0.72 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 3ddr n GLY 205 N 0.19 1.49 3.08 -0.77 0.00 -1.19 -4.26 105.19 103.75 3ddr n GLY 205 Ca -0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 3ddr n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddr s VAL 206 N -2.00 1.28 -0.18 1.61 1.01 -1.16 -1.38 120.40 119.57 3ddr s VAL 206 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ddr s VAL 206 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3ddr s VAL 206 CO 0.00 0.38 -0.11 0.42 0.00 0.00 0.00 175.10 175.79 3ddr s THR 207 N 0.27 2.99 -0.70 3.92 -4.23 -0.70 0.08 115.64 117.26 3ddr s THR 207 Ca -0.08 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3ddr s THR 207 Cb -0.13 -2.30 0.18 0.00 1.34 0.00 0.00 72.50 71.59 3ddr s THR 207 CO 0.03 0.48 0.58 -0.63 -0.54 0.00 0.00 174.62 174.54 3ddr s ILE 208 N 1.01 4.64 -0.77 2.99 1.01 -0.24 -0.98 121.20 128.85 3ddr s ILE 208 Ca -0.01 -2.61 -0.26 0.00 0.00 0.00 0.00 60.65 57.77 3ddr s ILE 208 Cb -0.15 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3ddr s ILE 208 CO -0.02 -0.94 1.38 -0.62 0.00 0.00 0.00 174.94 174.75 3ddr s ASP 209 N 1.58 6.09 0.45 3.58 -1.08 0.92 -3.19 116.67 125.03 3ddr s ASP 209 Ca 0.16 -0.52 -0.12 0.00 -0.52 0.00 0.00 52.55 51.55 3ddr s ASP 209 Cb -0.17 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 3ddr s ASP 209 CO -0.05 -1.87 0.85 -0.54 0.52 0.00 0.00 175.17 174.07 3ddr s LYS 210 N 5.80 3.82 0.18 4.34 1.02 -0.66 -0.10 119.74 134.14 3ddr s LYS 210 Ca 0.41 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.02 3ddr s LYS 210 Cb -0.07 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3ddr s LYS 210 CO 0.11 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 3ddr n GLY 211 N -1.47 -1.81 3.60 -3.33 0.00 -0.94 -4.51 105.19 96.72 3ddr n GLY 211 Ca 0.04 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 3ddr n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 212 N 0.00 3.94 0.22 2.61 -4.23 -1.26 -1.97 115.64 114.95 3ddr s THR 212 Ca 0.00 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 3ddr s THR 212 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 3ddr s THR 212 CO 0.00 0.58 0.02 0.42 -0.54 0.00 0.00 174.62 175.10 3ddr s THR 213 N -0.59 0.84 0.48 3.99 -4.23 -1.26 -4.92 115.64 109.95 3ddr s THR 213 Ca 0.09 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 3ddr s THR 213 Cb -0.12 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3ddr s THR 213 CO 0.02 -0.30 0.06 -0.83 -0.54 0.00 0.00 174.62 173.03 3ddr s GLY 214 N -3.27 2.77 0.19 3.99 0.00 -1.26 -4.78 107.32 104.96 3ddr s GLY 214 Ca 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3ddr s GLY 214 CO 0.08 -2.12 0.00 0.61 0.00 0.00 0.00 173.10 171.67 3ddr n GLY 215 N -1.24 -1.83 3.59 0.20 0.00 -1.26 -4.68 105.19 99.98 3ddr n GLY 215 Ca -0.12 -1.22 -0.53 0.00 0.00 0.00 0.00 46.02 44.14 3ddr n GLY 215 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ddr n MET 216 N -2.95 1.02 -0.07 1.61 0.00 -1.26 -2.26 117.12 113.21 3ddr n MET 216 Ca 0.01 0.37 0.00 0.00 -0.00 0.00 0.00 57.70 58.08 3ddr n MET 216 Cb 0.37 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.59 3ddr n MET 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ddr n GLY 217 N 2.56 0.66 0.05 -5.12 0.00 -1.26 -4.98 105.19 97.10 3ddr n GLY 217 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3ddr n GLY 217 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ddr n SER 218 N 0.00 0.32 0.00 1.61 7.64 -0.96 -4.84 113.62 117.39 3ddr n SER 218 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3ddr n SER 218 Cb 0.00 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 3ddr n SER 218 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ddr n ALA 219 N -2.24 -0.18 -0.75 -0.43 0.00 -1.26 -2.59 120.51 113.06 3ddr n ALA 219 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 3ddr n ALA 219 Cb 0.58 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 3ddr n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddr n GLY 220 N -0.99 3.20 3.26 0.00 0.00 -1.26 -4.75 105.19 104.66 3ddr n GLY 220 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3ddr n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddr s THR 221 N -0.79 1.81 0.00 2.61 2.01 -1.07 -3.63 115.64 116.59 3ddr s THR 221 Ca 0.21 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3ddr s THR 221 Cb 0.14 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.14 3ddr s THR 221 CO -0.02 0.49 0.00 0.18 -0.69 0.00 0.00 174.62 174.58 3ddr n LEU 222 N 2.45 1.49 -0.00 4.42 4.32 0.28 -4.33 117.00 125.63 3ddr n LEU 222 Ca -0.16 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 55.87 3ddr n LEU 222 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 3ddr n LEU 222 CO 0.23 0.25 -0.17 0.61 -1.22 0.00 0.00 177.39 177.09 3ddr n GLY 223 N 2.53 0.13 0.00 -0.72 0.00 -0.97 -4.37 105.19 101.79 3ddr n GLY 223 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ddr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 224 N 1.42 0.63 3.03 -0.02 0.00 -0.83 -2.21 105.19 107.20 3ddr n GLY 224 Ca 0.01 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 3ddr n GLY 224 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddr s ILE 225 N -2.19 1.16 -0.42 -0.61 1.01 0.86 -1.61 121.20 119.41 3ddr s ILE 225 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3ddr s ILE 225 Cb 0.00 -1.06 0.11 0.00 0.01 0.00 0.00 42.46 41.52 3ddr s ILE 225 CO 0.00 0.36 0.18 0.00 0.00 0.00 0.00 174.94 175.48 3ddr s ALA 226 N 0.67 3.13 -0.14 9.38 0.00 -0.12 -0.06 121.76 134.62 3ddr s ALA 226 Ca -0.14 -2.71 -0.18 0.00 0.00 0.00 0.00 51.96 48.92 3ddr s ALA 226 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 3ddr s ALA 226 CO 0.04 -1.82 0.47 0.99 0.00 0.00 0.00 175.76 175.43 3ddr s THR 227 N 0.74 5.18 -0.28 0.00 2.01 -0.16 -2.27 115.64 120.86 3ddr s THR 227 Ca 0.11 0.91 -0.08 0.00 0.31 0.00 0.00 61.69 62.95 3ddr s THR 227 Cb -0.21 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 3ddr s THR 227 CO -0.05 0.30 0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 3ddr s PHE 228 N 0.86 3.12 -0.23 4.92 0.40 0.10 -1.72 117.98 125.43 3ddr s PHE 228 Ca 0.25 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 3ddr s PHE 228 Cb -0.15 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 3ddr s PHE 228 CO 0.10 -0.44 0.10 -0.80 0.70 0.00 0.00 175.22 174.87 3ddr s ASN 229 N 1.58 5.61 0.18 1.36 0.01 -0.48 -1.12 114.94 122.09 3ddr s ASN 229 Ca 0.05 -0.02 -0.21 0.00 -0.71 0.00 0.00 52.86 51.97 3ddr s ASN 229 Cb -0.16 -2.00 -0.08 0.00 0.41 0.00 0.00 41.25 39.42 3ddr s ASN 229 CO 0.04 0.06 0.71 0.42 -1.51 0.00 0.00 177.10 176.82 3ddr s THR 230 N 1.08 4.54 0.09 1.60 -4.23 -1.26 -0.01 115.64 117.45 3ddr s THR 230 Ca 0.05 1.38 -0.21 0.00 -1.18 0.00 0.00 61.69 61.73 3ddr s THR 230 Cb -0.14 -3.94 -0.12 0.00 1.34 0.00 0.00 72.50 69.64 3ddr s THR 230 CO 0.04 0.34 0.47 0.52 -0.54 0.00 0.00 174.62 175.45 3ddr n VAL 231 N 1.10 0.90 -4.38 2.29 0.31 -0.46 -4.46 118.33 113.63 3ddr n VAL 231 Ca -0.04 -0.22 -0.20 0.00 -0.01 0.00 0.00 64.34 63.86 3ddr n VAL 231 Cb 0.50 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 3ddr n VAL 231 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ddr s SER 232 N -0.45 2.77 0.56 4.52 0.01 -1.26 -4.96 113.70 114.90 3ddr s SER 232 Ca 0.49 -1.06 0.24 0.00 1.31 0.00 0.00 55.95 56.92 3ddr s SER 232 Cb -0.69 -0.17 1.56 0.00 0.21 0.00 0.00 66.02 66.93 3ddr s SER 232 CO 0.38 -0.18 2.18 0.00 0.41 0.00 0.00 173.24 176.03 3ddr h ALA 233 N 2.45 1.80 0.00 1.44 0.00 -1.94 -2.52 119.26 120.49 3ddr h ALA 233 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ddr h ALA 233 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ddr h ALA 233 CO 0.63 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.47 3ddr h SER 234 N 0.00 0.00 0.63 0.00 4.64 -1.95 -2.74 113.55 114.13 3ddr h SER 234 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ddr h SER 234 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3ddr h SER 234 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3ddr n ASP 235 N -2.41 0.00 0.00 4.97 8.00 -0.95 -3.71 116.55 122.45 3ddr n ASP 235 Ca 0.04 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3ddr n ASP 235 Cb 0.35 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ddr n ASP 235 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ddr n PHE 236 N -1.35 0.00 -4.20 1.24 3.72 -1.15 -5.05 117.46 110.67 3ddr n PHE 236 Ca 0.11 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.27 3ddr n PHE 236 Cb 0.24 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 3ddr n PHE 236 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ddr s LEU 237 N -0.96 3.16 0.23 4.37 1.43 -1.04 -4.33 118.68 121.53 3ddr s LEU 237 Ca 0.00 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 3ddr s LEU 237 Cb 0.00 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3ddr s LEU 237 CO 0.00 -0.25 0.56 0.00 0.23 0.00 0.00 176.35 176.89 3ddr s ALA 238 N -2.45 -0.83 0.16 4.21 0.00 -1.20 -4.83 121.76 116.83 3ddr s ALA 238 Ca 0.36 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 3ddr s ALA 238 Cb -0.02 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 3ddr s ALA 238 CO 0.21 -0.87 1.41 -2.30 0.00 0.00 0.00 175.76 174.21 3ddr n PRO 239 N -0.38 -0.36 -0.33 0.00 -0.02 -1.26 -0.12 135.00 132.53 3ddr n PRO 239 Ca -0.07 1.38 -0.03 0.00 -2.02 0.00 0.00 63.50 62.77 3ddr n PRO 239 Cb 0.62 -2.04 0.11 0.00 -0.02 0.00 0.00 33.50 32.17 3ddr n PRO 239 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ddr h GLY 240 N 0.00 1.33 -5.75 -1.23 0.00 -2.01 -3.44 103.07 91.96 3ddr h GLY 240 Ca 0.18 -0.57 -0.58 0.00 0.00 0.00 0.00 47.33 46.36 3ddr h GLY 240 CO -0.87 0.55 -0.14 1.25 0.00 0.00 0.00 176.54 177.33 3ddr s LYS 241 N -5.89 4.29 0.00 4.80 2.20 0.82 -4.95 119.74 121.02 3ddr s LYS 241 Ca -0.12 0.39 0.09 0.00 -0.36 0.00 0.00 55.97 55.97 3ddr s LYS 241 Cb 0.17 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3ddr s LYS 241 CO 0.82 0.09 0.56 0.39 -0.36 0.00 0.00 175.35 176.85 3ddr n GLU 242 N 3.95 2.61 -3.78 4.03 1.02 -1.26 -3.24 120.64 123.97 3ddr n GLU 242 Ca -0.07 -0.43 -0.14 0.00 -0.02 0.00 0.00 57.16 56.50 3ddr n GLU 242 Cb 0.51 -1.03 -0.15 0.00 -0.02 0.00 0.00 31.44 30.76 3ddr n GLU 242 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ddr s LEU 243 N -1.81 1.10 0.25 -4.62 0.20 -1.26 -2.20 118.68 110.35 3ddr s LEU 243 Ca 0.07 0.18 -0.15 0.00 0.69 0.00 0.00 54.13 54.91 3ddr s LEU 243 Cb 0.07 0.20 0.00 0.00 -0.43 0.00 0.00 46.19 46.04 3ddr s LEU 243 CO 0.28 -0.11 0.55 -0.83 -0.29 0.00 0.00 176.35 175.95 3ddr s GLY 244 N 0.83 0.31 0.00 7.98 0.00 0.12 -4.94 107.32 111.62 3ddr s GLY 244 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3ddr s GLY 244 CO -0.03 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3ddr n GLY 245 N -0.40 -1.58 3.15 0.20 0.00 1.00 0.47 105.19 108.02 3ddr n GLY 245 Ca -0.03 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.96 3ddr n GLY 245 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ddr s LYS 246 N -1.79 0.50 -0.08 1.61 2.20 -0.34 -2.17 119.74 119.67 3ddr s LYS 246 Ca 0.00 0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 56.19 3ddr s LYS 246 Cb 0.00 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 3ddr s LYS 246 CO 0.00 -0.69 0.36 -0.51 -0.36 0.00 0.00 175.35 174.15 3ddr s LEU 247 N 2.87 4.36 -0.00 5.43 1.43 -0.96 -1.77 118.68 130.04 3ddr s LEU 247 Ca 0.15 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3ddr s LEU 247 Cb -0.12 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3ddr s LEU 247 CO -0.22 0.20 -0.00 -2.28 0.23 0.00 0.00 176.35 174.28 3ddr s HIS 248 N -0.28 0.04 -0.02 0.29 5.65 -0.31 -0.69 115.29 119.97 3ddr s HIS 248 Ca 0.21 -0.01 -0.14 0.00 0.25 0.00 0.00 55.06 55.38 3ddr s HIS 248 Cb -0.15 -0.03 0.02 0.00 -1.18 0.00 0.00 32.58 31.25 3ddr s HIS 248 CO 0.09 -0.00 0.30 0.00 -0.65 0.00 0.00 174.74 174.48 3ddr s ALA 249 N 0.01 -0.75 0.15 1.58 0.00 -0.87 -0.73 121.76 121.14 3ddr s ALA 249 Ca -0.00 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 3ddr s ALA 249 Cb -0.00 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.20 3ddr s ALA 249 CO -0.00 -0.25 0.98 -1.54 0.00 0.00 0.00 175.76 174.96 3ddr s SER 250 N -1.17 -0.15 0.25 0.00 1.04 -0.77 -0.71 113.70 112.18 3ddr s SER 250 Ca -0.12 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.66 3ddr s SER 250 Cb -0.05 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3ddr s SER 250 CO 0.04 -0.89 0.84 0.28 0.98 0.00 0.00 173.24 174.49 3ddr s THR 251 N -3.12 0.00 0.33 2.02 -1.32 -1.05 -1.82 115.64 110.68 3ddr s THR 251 Ca 0.13 -0.85 -0.10 0.00 -1.21 0.00 0.00 61.69 59.66 3ddr s THR 251 Cb -0.01 -2.22 0.04 0.00 -1.51 0.00 0.00 72.50 68.80 3ddr s THR 251 CO 0.02 0.00 0.62 0.61 -2.21 0.00 0.00 174.62 173.67 3ddr n GLY 252 N -0.50 1.38 0.00 6.08 0.00 0.10 -2.22 105.19 110.04 3ddr n GLY 252 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3ddr n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddr n ASP 253 N -1.51 0.00 -4.09 1.61 5.68 -0.39 -4.14 116.55 113.72 3ddr n ASP 253 Ca -0.06 -0.67 -0.30 0.00 -0.50 0.00 0.00 54.79 53.27 3ddr n ASP 253 Cb 0.51 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 3ddr n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3ddr n ASN 254 N -2.01 -1.07 0.00 -1.12 5.15 -1.26 -1.58 115.26 113.37 3ddr n ASN 254 Ca 0.00 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 3ddr n ASN 254 Cb 0.00 -2.76 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 3ddr n ASN 254 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ddr n GLY 255 N -1.88 2.06 3.11 8.20 0.00 -1.26 -4.63 105.19 110.79 3ddr n GLY 255 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3ddr n GLY 255 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ddr n THR 256 N -2.00 3.27 -0.14 2.61 -1.04 -0.62 -0.61 114.28 115.75 3ddr n THR 256 Ca 0.00 -3.08 -0.12 0.00 -2.04 0.00 0.00 64.05 58.81 3ddr n THR 256 Cb 0.00 -2.46 -0.02 0.00 -1.82 0.00 0.00 70.33 66.04 3ddr n THR 256 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3ddr h HIS 257 N 7.03 1.01 -1.37 -1.42 3.86 -1.68 0.30 115.15 122.88 3ddr h HIS 257 Ca 0.49 -0.25 0.14 0.00 -1.16 0.00 0.00 60.37 59.59 3ddr h HIS 257 Cb 0.74 -0.23 -0.29 0.00 1.06 0.00 0.00 27.41 28.69 3ddr h HIS 257 CO 1.40 1.04 0.51 0.12 0.86 0.00 0.00 177.93 181.86 3ddr s PHE 258 N -4.62 -0.40 -0.16 2.45 5.99 -0.97 -4.72 117.98 115.55 3ddr s PHE 258 Ca -0.12 0.80 -0.05 0.00 0.00 0.00 0.00 56.93 57.56 3ddr s PHE 258 Cb 0.11 0.24 0.06 0.00 0.00 0.00 0.00 43.02 43.43 3ddr s PHE 258 CO 0.85 -0.20 0.09 0.42 -0.00 0.00 0.00 175.22 176.38 3ddr s ILE 259 N 1.21 -0.09 0.16 3.12 1.01 -0.75 -0.95 121.20 124.91 3ddr s ILE 259 Ca -0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3ddr s ILE 259 Cb -0.03 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 3ddr s ILE 259 CO -0.13 -0.25 0.30 -0.83 0.00 0.00 0.00 174.94 174.03 3ddr s GLY 260 N 2.14 0.37 0.07 6.18 0.00 -0.96 -1.85 107.32 113.27 3ddr s GLY 260 Ca 0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 3ddr s GLY 260 CO -0.09 -0.77 0.34 -1.35 0.00 0.00 0.00 173.10 171.24 3ddr s SER 261 N -2.95 -0.16 -0.13 1.64 1.04 0.09 -1.31 113.70 111.92 3ddr s SER 261 Ca 0.15 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3ddr s SER 261 Cb 0.03 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3ddr s SER 261 CO -0.01 -0.69 -0.11 -0.83 0.98 0.00 0.00 173.24 172.57 3ddr s GLY 262 N -2.29 1.00 -0.07 7.32 0.00 0.02 -1.16 107.32 112.14 3ddr s GLY 262 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3ddr s GLY 262 CO -0.06 0.65 -0.11 -0.42 0.00 0.00 0.00 173.10 173.16 3ddr s ILE 263 N 1.58 3.37 -0.04 0.90 1.01 -0.73 -1.15 121.20 126.14 3ddr s ILE 263 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3ddr s ILE 263 Cb -0.13 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.02 3ddr s ILE 263 CO -0.10 0.59 0.04 -0.22 0.00 0.00 0.00 174.94 175.25 3ddr s LEU 264 N -0.65 0.52 -0.12 2.97 0.20 0.20 -1.20 118.68 120.60 3ddr s LEU 264 Ca 0.10 0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.97 3ddr s LEU 264 Cb -0.11 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.49 3ddr s LEU 264 CO 0.01 -0.20 -0.16 0.00 -0.29 0.00 0.00 176.35 175.72 3ddr s ALA 265 N 1.77 1.78 0.24 5.97 0.00 0.18 -0.94 121.76 130.77 3ddr s ALA 265 Ca 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.25 3ddr s ALA 265 Cb -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3ddr s ALA 265 CO -0.03 -0.14 -0.05 -0.51 0.00 0.00 0.00 175.76 175.02 3ddr s LEU 266 N 1.09 3.06 0.00 0.00 1.02 -0.60 -0.70 118.68 122.54 3ddr s LEU 266 Ca -0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.43 3ddr s LEU 266 Cb -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.44 3ddr s LEU 266 CO -0.04 0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.98 3ddr n GLY 267 N -0.61 4.27 0.00 -3.19 0.00 -0.93 -1.69 105.19 103.04 3ddr n GLY 267 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3ddr n GLY 267 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ddr n ASN 268 N 0.00 0.00 -0.35 1.61 0.23 -0.98 -4.32 115.26 111.45 3ddr n ASN 268 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 3ddr n ASN 268 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 3ddr n ASN 268 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ddr n GLU 269 N 0.00 0.87 0.00 -3.83 1.02 -1.26 -4.33 120.64 113.11 3ddr n GLU 269 Ca 0.00 -0.96 0.04 0.00 -0.02 0.00 0.00 57.16 56.22 3ddr n GLU 269 Cb 0.00 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3ddr n GLU 269 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ddr n THR 270 N 0.34 0.00 -3.34 2.62 -2.24 -1.26 -4.76 114.28 105.64 3ddr n THR 270 Ca 0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3ddr n THR 270 Cb 0.24 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3ddr n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddr n GLY 271 N 0.53 -1.27 0.00 3.38 0.00 -1.26 -1.07 105.19 105.50 3ddr n GLY 271 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3ddr n GLY 271 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddr n ASP 272 N 0.98 0.00 -4.18 1.61 5.68 -0.89 -2.33 116.55 117.42 3ddr n ASP 272 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 3ddr n ASP 272 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 3ddr n ASP 272 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3ddr s ILE 273 N -1.50 1.44 -0.17 2.12 1.10 -0.68 -0.65 121.20 122.85 3ddr s ILE 273 Ca 0.00 -0.83 0.01 0.00 -0.51 0.00 0.00 60.65 59.32 3ddr s ILE 273 Cb 0.00 -1.21 0.02 0.00 0.15 0.00 0.00 42.46 41.42 3ddr s ILE 273 CO 0.00 0.37 -0.18 -0.22 -2.11 0.00 0.00 174.94 172.79 3ddr s LEU 274 N -0.54 1.99 -0.07 8.50 2.96 0.85 -1.56 118.68 130.82 3ddr s LEU 274 Ca 0.07 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3ddr s LEU 274 Cb -0.07 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3ddr s LEU 274 CO -0.00 -0.01 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.16 3ddr s LEU 275 N 1.32 3.00 -0.01 -0.68 1.43 -0.12 -1.49 118.68 122.14 3ddr s LEU 275 Ca 0.04 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.77 3ddr s LEU 275 Cb -0.13 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3ddr s LEU 275 CO -0.12 0.34 0.62 0.00 0.23 0.00 0.00 176.35 177.43 3ddr s ALA 276 N -0.69 -1.62 -0.02 4.21 0.00 -0.83 0.59 121.76 123.41 3ddr s ALA 276 Ca 0.10 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 3ddr s ALA 276 Cb -0.11 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3ddr s ALA 276 CO 0.01 -0.43 0.31 0.00 0.00 0.00 0.00 175.76 175.66 3ddr s ALA 277 N -1.69 -0.79 0.08 0.00 0.00 -0.30 -0.98 121.76 118.08 3ddr s ALA 277 Ca -0.09 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.29 3ddr s ALA 277 Cb -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3ddr s ALA 277 CO 0.05 -0.25 -0.12 -1.54 0.00 0.00 0.00 175.76 173.90 3ddr s SER 278 N -1.21 1.49 -0.05 0.00 1.04 -0.47 -0.80 113.70 113.70 3ddr s SER 278 Ca -0.13 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.63 3ddr s SER 278 Cb -0.05 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.07 3ddr s SER 278 CO 0.04 -0.17 -0.05 -1.61 0.98 0.00 0.00 173.24 172.43 3ddr s GLU 279 N -2.15 0.92 -0.12 4.02 0.41 -0.43 -2.38 118.70 118.98 3ddr s GLU 279 Ca 0.00 -0.13 0.01 0.00 -0.41 0.00 0.00 54.97 54.44 3ddr s GLU 279 Cb -0.07 -0.91 0.02 0.00 -1.78 0.00 0.00 34.13 31.39 3ddr s GLU 279 CO 0.01 -0.08 -0.12 0.50 -0.49 0.00 0.00 175.26 175.08 3ddr s ARG 280 N 0.94 1.96 -0.24 1.61 3.52 -0.84 -2.27 118.95 123.62 3ddr s ARG 280 Ca -0.11 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 3ddr s ARG 280 Cb -0.14 -1.79 0.08 0.00 -1.56 0.00 0.00 34.95 31.53 3ddr s ARG 280 CO 0.00 -0.16 0.07 -1.01 -0.81 0.00 0.00 175.30 173.39 3ddr s HIS 281 N 1.31 1.11 0.09 5.12 3.76 -0.12 -2.38 115.29 124.18 3ddr s HIS 281 Ca -0.01 -1.12 0.09 0.00 -0.15 0.00 0.00 55.06 53.87 3ddr s HIS 281 Cb -0.14 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3ddr s HIS 281 CO -0.05 -0.72 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.37 3ddr s LEU 282 N 1.83 2.43 0.00 0.89 1.43 -0.89 -2.19 118.68 122.18 3ddr s LEU 282 Ca 0.04 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3ddr s LEU 282 Cb -0.17 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3ddr s LEU 282 CO -0.18 0.21 0.20 0.61 0.23 0.00 0.00 176.35 177.42 3ddr n GLY 283 N 1.20 3.16 3.77 -3.19 0.00 0.22 -2.67 105.19 107.68 3ddr n GLY 283 Ca -0.17 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.15 3ddr n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddr s ASP 284 N -3.58 6.43 0.15 1.61 1.01 -1.26 -4.18 116.67 116.85 3ddr s ASP 284 Ca 0.15 2.49 0.11 0.00 0.71 0.00 0.00 52.55 56.01 3ddr s ASP 284 Cb -0.01 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3ddr s ASP 284 CO 0.10 -0.75 -0.26 -0.72 0.21 0.00 0.00 175.17 173.75 3ddr s TYR 285 N -1.33 2.31 0.26 4.23 1.13 -1.26 -4.31 117.35 118.38 3ddr s TYR 285 Ca 0.57 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.58 3ddr s TYR 285 Cb -0.34 -1.21 -0.09 0.00 -1.10 0.00 0.00 41.96 39.21 3ddr s TYR 285 CO 0.43 0.40 0.91 -1.58 -2.51 0.00 0.00 175.55 173.21 3ddr s TRP 286 N -1.28 3.86 0.81 -3.49 0.52 -1.26 -2.28 118.94 115.82 3ddr s TRP 286 Ca 0.16 1.82 -0.05 0.00 0.02 0.00 0.00 56.10 58.05 3ddr s TRP 286 Cb -0.09 -2.92 0.16 0.00 -1.15 0.00 0.00 33.47 29.47 3ddr s TRP 286 CO 0.07 0.37 1.11 -1.25 0.02 0.00 0.00 176.95 177.28 3ddr s PRO 287 N -1.52 1.25 0.76 4.98 0.05 -1.26 -1.31 135.00 137.95 3ddr s PRO 287 Ca 0.44 -1.00 -0.15 0.00 0.05 0.00 0.00 61.00 60.33 3ddr s PRO 287 Cb -0.23 -2.19 0.04 0.00 0.05 0.00 0.00 34.50 32.18 3ddr s PRO 287 CO 0.28 -1.82 1.11 0.41 0.05 0.00 0.00 177.00 177.03 3ddr n GLY 288 N -3.15 -0.14 0.00 0.56 0.00 -1.19 -4.04 105.19 97.23 3ddr n GLY 288 Ca 0.16 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3ddr n GLY 288 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ddr n ASN 289 N -2.42 2.59 -4.34 1.61 5.15 0.46 -4.22 115.26 114.09 3ddr n ASN 289 Ca 0.14 -0.24 -0.31 0.00 -0.60 0.00 0.00 54.58 53.57 3ddr n ASN 289 Cb 0.50 1.05 -0.15 0.00 -0.53 0.00 0.00 39.78 40.64 3ddr n ASN 289 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ddr s LYS 290 N -1.70 1.97 0.00 1.20 -0.14 -1.00 -4.86 119.74 115.22 3ddr s LYS 290 Ca -0.00 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 3ddr s LYS 290 Cb 0.01 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 3ddr s LYS 290 CO 0.07 0.54 0.00 0.41 -0.76 0.00 0.00 175.35 175.61 3ddr n GLY 291 N 2.06 1.23 3.91 -3.33 0.00 -1.26 -0.94 105.19 106.85 3ddr n GLY 291 Ca -0.16 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.44 3ddr n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddr s ASP 292 N 0.00 6.00 0.00 1.61 1.01 -1.26 -4.90 116.67 119.14 3ddr s ASP 292 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.23 3ddr s ASP 292 Cb 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.24 3ddr s ASP 292 CO 0.00 -0.03 0.00 2.30 0.21 0.00 0.00 175.17 177.65 3ddr n ILE 293 N -1.12 0.00 -1.32 0.77 -5.35 -1.26 -4.86 119.36 106.22 3ddr n ILE 293 Ca -0.08 0.00 -0.59 0.00 -0.27 0.00 0.00 62.75 61.81 3ddr n ILE 293 Cb 0.57 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.36 3ddr n ILE 293 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ddr n GLY 294 N 0.31 -0.04 0.11 3.28 0.00 -1.26 -4.81 105.19 102.77 3ddr n GLY 294 Ca 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.91 3ddr n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ddr n ASN 295 N 6.06 1.22 0.03 1.61 5.15 -1.26 -4.24 115.26 123.83 3ddr n ASN 295 Ca 0.45 -0.06 -0.22 0.00 -0.60 0.00 0.00 54.58 54.14 3ddr n ASN 295 Cb -0.04 0.30 -0.14 0.00 -0.53 0.00 0.00 39.78 39.37 3ddr n ASN 295 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3ddr h ILE 296 N 0.00 0.78 0.01 -1.44 1.08 -1.92 -3.40 117.51 112.62 3ddr h ILE 296 Ca -0.52 -2.41 -0.03 0.00 -0.39 0.00 0.00 64.86 61.51 3ddr h ILE 296 Cb 2.00 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 38.37 3ddr h ILE 296 CO -0.03 0.87 -0.12 -0.09 -0.69 0.00 0.00 178.15 178.09 3ddr h ARG 297 N 0.05 0.06 -5.60 2.37 9.65 -1.90 -3.43 114.38 115.58 3ddr h ARG 297 Ca -0.38 -0.08 -0.59 0.00 -1.10 0.00 0.00 59.98 57.83 3ddr h ARG 297 Cb 2.04 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 30.55 3ddr h ARG 297 CO 0.12 0.96 -0.26 0.42 2.80 0.00 0.00 179.97 184.01 3ddr s ILE 298 N -2.59 5.26 -1.37 1.20 1.01 -1.26 -4.98 121.20 118.48 3ddr s ILE 298 Ca -0.18 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.16 3ddr s ILE 298 Cb -0.02 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3ddr s ILE 298 CO 0.71 0.38 0.00 -0.46 0.00 0.00 0.00 174.94 175.57 3ddr n ASN 299 N 3.51 0.00 0.00 3.58 6.94 -1.26 -4.25 115.26 123.78 3ddr n ASN 299 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 3ddr n ASN 299 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3ddr n ASN 299 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ddr n ASN 300 N 0.00 0.00 -0.28 0.53 3.02 -1.26 -4.04 115.26 113.23 3ddr n ASN 300 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3ddr n ASN 300 Cb 0.00 -0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 38.44 3ddr n ASN 300 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ddr n ASP 301 N 0.00 -3.00 -2.26 6.41 9.92 -1.26 -4.72 116.55 121.65 3ddr n ASP 301 Ca 0.00 0.06 -0.05 0.00 -0.53 0.00 0.00 54.79 54.27 3ddr n ASP 301 Cb 0.00 -2.18 -0.07 0.00 -0.64 0.00 0.00 41.12 38.23 3ddr n ASP 301 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ddr n THR 302 N -1.17 1.28 0.00 -3.53 -2.24 -1.26 -1.13 114.28 106.24 3ddr n THR 302 Ca -0.02 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3ddr n THR 302 Cb 0.28 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3ddr n THR 302 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddr n GLY 303 N 2.73 1.19 0.00 3.38 0.00 -1.26 -5.07 105.19 106.16 3ddr n GLY 303 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ddr n GLY 303 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddr n ASN 304 N 0.00 0.00 0.10 1.61 3.02 -0.28 -4.91 115.26 114.80 3ddr n ASN 304 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3ddr n ASN 304 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3ddr n ASN 304 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3ddr h TYR 305 N 0.00 -1.01 -0.92 3.10 5.03 -1.83 -2.82 116.97 118.52 3ddr h TYR 305 Ca 0.00 0.02 0.25 0.00 2.58 0.00 0.00 58.73 61.58 3ddr h TYR 305 Cb 0.00 0.42 -0.13 0.00 1.55 0.00 0.00 36.73 38.57 3ddr h TYR 305 CO 0.00 -0.41 0.39 -0.44 -1.32 0.00 0.00 178.16 176.38 3ddr h ASP 306 N -0.55 0.28 -0.01 -2.11 3.32 -1.96 0.13 116.42 115.53 3ddr h ASP 306 Ca -0.01 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ddr h ASP 306 Cb 0.53 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ddr h ASP 306 CO -0.16 -0.07 0.00 -0.09 -1.72 0.00 0.00 179.24 177.20 3ddr h ARG 307 N 0.34 0.01 0.19 3.56 2.43 -1.90 -2.52 114.38 116.49 3ddr h ARG 307 Ca 0.60 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.76 3ddr h ARG 307 Cb 1.20 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3ddr h ARG 307 CO -0.58 0.28 -0.21 1.88 -1.51 0.00 0.00 179.97 179.83 3ddr h TYR 308 N -0.27 -0.60 -0.55 2.20 0.05 -0.59 -2.23 116.97 114.99 3ddr h TYR 308 Ca 0.00 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.84 3ddr h TYR 308 Cb 0.28 0.24 -0.08 0.00 1.01 0.00 0.00 36.73 38.17 3ddr h TYR 308 CO 0.02 -0.28 -0.48 0.00 -1.05 0.00 0.00 178.16 176.37 3ddr h ALA 309 N -1.36 -0.60 -0.99 3.88 0.00 -1.12 0.13 119.26 119.20 3ddr h ALA 309 Ca -0.02 0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.18 3ddr h ALA 309 Cb 0.36 1.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.19 3ddr h ALA 309 CO -0.04 -0.88 0.56 1.49 0.00 0.00 0.00 179.25 180.38 3ddr h GLU 310 N -0.19 0.49 -0.42 0.00 4.22 -1.44 -1.07 114.58 116.17 3ddr h GLU 310 Ca 0.09 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.41 3ddr h GLU 310 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ddr h GLU 310 CO -0.62 0.33 -0.09 1.03 -2.18 0.00 0.00 179.01 177.48 3ddr h SER 311 N 0.51 0.80 -0.69 1.04 0.87 -0.13 -2.91 113.55 113.05 3ddr h SER 311 Ca 0.65 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3ddr h SER 311 Cb 1.28 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 3ddr h SER 311 CO -0.51 0.97 0.24 0.40 -0.53 0.00 0.00 176.83 177.40 3ddr h ILE 312 N 0.62 1.25 0.00 2.23 2.04 -0.40 -2.33 117.51 120.92 3ddr h ILE 312 Ca 0.11 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ddr h ILE 312 Cb 0.61 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3ddr h ILE 312 CO 0.04 0.33 0.00 0.29 0.00 0.00 0.00 178.15 178.81 3ddr n LYS 313 N -4.34 0.09 -1.26 2.37 5.02 -0.78 -3.07 118.16 116.19 3ddr n LYS 313 Ca 0.05 0.48 -0.04 0.00 -2.02 0.00 0.00 58.31 56.78 3ddr n LYS 313 Cb 0.20 -1.73 0.12 0.00 -0.02 0.00 0.00 35.03 33.61 3ddr n LYS 313 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ddr n ASN 314 N -1.90 2.63 -3.74 4.39 3.02 -0.88 -4.38 115.26 114.40 3ddr n ASN 314 Ca 0.01 -3.56 -0.13 0.00 -0.03 0.00 0.00 54.58 50.86 3ddr n ASN 314 Cb 0.09 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.72 3ddr n ASN 314 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ddr s ASN 315 N -3.26 -0.31 0.24 6.41 0.01 -1.18 -5.03 114.94 111.83 3ddr s ASN 315 Ca 0.41 0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 52.71 3ddr s ASN 315 Cb 0.38 0.55 -0.14 0.00 0.41 0.00 0.00 41.25 42.45 3ddr s ASN 315 CO -0.04 -0.30 1.21 0.29 -1.51 0.00 0.00 177.10 176.75 3ddr n LYS 316 N 2.05 1.59 -2.19 -0.60 5.02 -1.26 -4.46 118.16 118.31 3ddr n LYS 316 Ca -0.17 0.56 -0.43 0.00 -2.02 0.00 0.00 58.31 56.25 3ddr n LYS 316 Cb 0.57 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 3ddr n LYS 316 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ddr s ILE 317 N -0.49 3.76 0.00 -0.18 -1.09 -0.97 -4.94 121.20 117.29 3ddr s ILE 317 Ca 0.66 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 3ddr s ILE 317 Cb -0.72 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 3ddr s ILE 317 CO 0.55 -0.48 0.32 -2.65 -1.23 0.00 0.00 174.94 171.45 3ddr n PRO 318 N 7.92 0.00 -2.81 2.79 -0.02 -1.26 -3.40 135.00 138.22 3ddr n PRO 318 Ca 0.19 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.73 3ddr n PRO 318 Cb 0.47 -0.51 -0.02 0.00 -0.02 0.00 0.00 33.50 33.41 3ddr n PRO 318 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ddr n ASP 319 N -1.85 4.19 0.03 2.55 8.00 -1.26 -4.73 116.55 123.49 3ddr n ASP 319 Ca 0.00 -3.62 0.12 0.00 0.71 0.00 0.00 54.79 52.00 3ddr n ASP 319 Cb 0.00 -0.53 0.18 0.00 -0.02 0.00 0.00 41.12 40.75 3ddr n ASP 319 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ddr n THR 320 N -0.28 0.19 -2.38 -3.53 -2.24 -1.22 -4.50 114.28 100.33 3ddr n THR 320 Ca 0.32 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.55 3ddr n THR 320 Cb 0.51 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3ddr n THR 320 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ddr s HIS 321 N -3.11 3.20 0.27 4.78 -3.43 -1.26 -4.82 115.29 110.92 3ddr s HIS 321 Ca 0.08 1.60 -0.14 0.00 -0.80 0.00 0.00 55.06 55.80 3ddr s HIS 321 Cb 0.15 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 3ddr s HIS 321 CO 0.72 -1.03 0.54 1.52 -2.00 0.00 0.00 174.74 174.49 3ddr s TYR 322 N -1.43 0.31 -0.02 0.38 1.13 -1.09 -4.35 117.35 112.29 3ddr s TYR 322 Ca 0.55 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 55.54 3ddr s TYR 322 Cb -0.29 0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.87 3ddr s TYR 322 CO 0.37 -1.09 -0.09 -0.98 -2.51 0.00 0.00 175.55 171.25 3ddr s ARG 323 N -3.82 0.83 -0.02 -3.49 1.70 -0.42 -2.10 118.95 111.64 3ddr s ARG 323 Ca 0.21 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 55.14 3ddr s ARG 323 Cb -0.02 -0.80 0.02 0.00 -0.57 0.00 0.00 34.95 33.58 3ddr s ARG 323 CO 0.10 0.16 0.04 0.00 -1.08 0.00 0.00 175.30 174.52 3ddr s MET 324 N -0.03 0.02 -0.30 3.89 0.23 -1.00 -0.45 119.30 121.67 3ddr s MET 324 Ca 0.01 0.13 0.02 0.00 -1.03 0.00 0.00 55.69 54.81 3ddr s MET 324 Cb -0.06 -0.09 0.07 0.00 -1.53 0.00 0.00 34.83 33.22 3ddr s MET 324 CO -0.00 -0.07 -0.03 -1.01 -2.03 0.00 0.00 175.02 171.88 3ddr s HIS 325 N 0.48 3.38 0.12 3.16 3.76 -0.03 -1.99 115.29 124.18 3ddr s HIS 325 Ca -0.04 -2.34 -0.07 0.00 -0.15 0.00 0.00 55.06 52.45 3ddr s HIS 325 Cb -0.05 -2.26 -0.06 0.00 1.11 0.00 0.00 32.58 31.32 3ddr s HIS 325 CO -0.02 -0.88 0.40 -1.12 -0.85 0.00 0.00 174.74 172.28 3ddr s SER 326 N 1.15 6.56 -0.05 1.40 0.01 -1.00 -2.05 113.70 119.72 3ddr s SER 326 Ca -0.03 0.71 -0.02 0.00 1.31 0.00 0.00 55.95 57.92 3ddr s SER 326 Cb -0.20 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 63.93 3ddr s SER 326 CO -0.04 0.09 0.10 -0.13 0.41 0.00 0.00 173.24 173.66 3ddr s ARG 327 N -2.36 0.02 -0.02 12.44 1.81 0.53 -1.37 118.95 129.99 3ddr s ARG 327 Ca 0.38 0.34 0.04 0.00 -1.72 0.00 0.00 55.73 54.78 3ddr s ARG 327 Cb -0.13 -0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 3ddr s ARG 327 CO 0.21 -0.21 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.30 3ddr s LEU 328 N 1.43 1.97 -0.12 2.53 2.96 -0.16 -0.90 118.68 126.39 3ddr s LEU 328 Ca -0.06 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3ddr s LEU 328 Cb -0.12 -0.83 0.05 0.00 0.50 0.00 0.00 46.19 45.80 3ddr s LEU 328 CO -0.05 0.17 0.27 0.00 -1.32 0.00 0.00 176.35 175.42 3ddr s ALA 329 N -0.19 -0.61 -0.06 5.97 0.00 0.05 -1.96 121.76 124.96 3ddr s ALA 329 Ca 0.02 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3ddr s ALA 329 Cb -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3ddr s ALA 329 CO 0.00 -0.34 -0.10 0.15 0.00 0.00 0.00 175.76 175.47 3ddr s LYS 330 N 1.64 1.42 -0.11 0.00 1.02 -0.55 -0.62 119.74 122.53 3ddr s LYS 330 Ca -0.06 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3ddr s LYS 330 Cb -0.11 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 3ddr s LYS 330 CO -0.09 0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.33 3ddr s VAL 331 N 0.69 1.14 0.01 3.17 1.01 -0.08 -0.10 120.40 126.23 3ddr s VAL 331 Ca -0.13 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3ddr s VAL 331 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3ddr s VAL 331 CO 0.03 0.38 -0.22 -0.83 0.00 0.00 0.00 175.10 174.46 3ddr s GLY 332 N 1.48 1.12 -0.14 4.51 0.00 0.17 -0.34 107.32 114.13 3ddr s GLY 332 Ca 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 3ddr s GLY 332 CO -0.06 -0.89 -0.10 -0.98 0.00 0.00 0.00 173.10 171.07 3ddr s TRP 333 N -0.64 2.89 -0.10 1.90 0.51 0.56 -2.09 118.94 121.98 3ddr s TRP 333 Ca 0.09 -0.55 -0.13 0.00 -2.12 0.00 0.00 56.10 53.38 3ddr s TRP 333 Cb -0.09 -1.90 -0.05 0.00 -0.81 0.00 0.00 33.47 30.63 3ddr s TRP 333 CO 0.00 -0.17 0.33 -0.80 -0.51 0.00 0.00 176.95 175.79 3ddr s ASN 334 N 0.42 6.58 0.12 2.95 0.01 -0.23 -2.00 114.94 122.78 3ddr s ASN 334 Ca -0.08 0.68 0.03 0.00 -0.71 0.00 0.00 52.86 52.79 3ddr s ASN 334 Cb -0.15 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3ddr s ASN 334 CO 0.04 0.21 -0.09 -0.76 -1.51 0.00 0.00 177.10 175.00 3ddr s LEU 335 N -0.27 2.50 1.07 0.60 1.02 -0.08 -4.66 118.68 118.86 3ddr s LEU 335 Ca 0.20 -0.98 -0.23 0.00 0.02 0.00 0.00 54.13 53.14 3ddr s LEU 335 Cb -0.14 -0.23 -0.03 0.00 0.02 0.00 0.00 46.19 45.81 3ddr s LEU 335 CO 0.08 -0.37 -0.70 -2.65 0.02 0.00 0.00 176.35 172.72 3ddr n PRO 336 N -0.01 -0.89 0.00 1.29 -0.02 -1.26 -2.63 135.00 131.47 3ddr n PRO 336 Ca -0.12 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 3ddr n PRO 336 Cb 0.60 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 3ddr n PRO 336 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr n ALA 337 N -4.01 0.00 -2.95 3.55 0.00 -1.26 -3.23 120.51 112.61 3ddr n ALA 337 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 3ddr n ALA 337 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3ddr n ALA 337 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ddr n ASN 338 N -3.70 6.33 -4.66 0.00 5.15 -1.26 -4.96 115.26 112.15 3ddr n ASN 338 Ca 0.00 -3.50 -0.35 0.00 -0.60 0.00 0.00 54.58 50.13 3ddr n ASN 338 Cb 0.00 -1.15 -0.10 0.00 -0.53 0.00 0.00 39.78 38.00 3ddr n ASN 338 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3ddr s GLN 339 N -3.19 2.94 -0.03 1.20 -0.21 -1.08 -1.72 119.66 117.57 3ddr s GLN 339 Ca 0.35 -0.44 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 3ddr s GLN 339 Cb 0.10 -2.75 0.03 0.00 1.00 0.00 0.00 33.01 31.39 3ddr s GLN 339 CO 0.03 0.69 0.05 0.50 -2.12 0.00 0.00 175.29 174.43 3ddr s ARG 340 N -0.85 -0.04 -0.13 2.91 3.52 -0.91 -0.90 118.95 122.54 3ddr s ARG 340 Ca 0.13 0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.96 3ddr s ARG 340 Cb -0.11 -0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 32.82 3ddr s ARG 340 CO 0.02 -0.26 0.11 -0.51 -0.81 0.00 0.00 175.30 173.85 3ddr s LEU 341 N 1.70 4.18 -0.02 -0.88 1.43 -0.85 -1.84 118.68 122.40 3ddr s LEU 341 Ca -0.01 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3ddr s LEU 341 Cb -0.12 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3ddr s LEU 341 CO -0.03 0.36 0.03 -1.58 0.23 0.00 0.00 176.35 175.36 3ddr s GLN 342 N -0.72 -0.05 -0.19 1.70 0.74 -0.01 -0.32 119.66 120.81 3ddr s GLN 342 Ca 0.13 0.22 -0.08 0.00 0.05 0.00 0.00 55.36 55.68 3ddr s GLN 342 Cb -0.12 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.66 3ddr s GLN 342 CO 0.03 -0.19 0.07 -0.51 -0.55 0.00 0.00 175.29 174.14 3ddr s LEU 343 N 1.23 3.84 -0.05 3.68 1.43 0.54 -0.30 118.68 129.05 3ddr s LEU 343 Ca -0.07 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3ddr s LEU 343 Cb -0.13 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3ddr s LEU 343 CO -0.03 0.15 -0.13 -0.44 0.23 0.00 0.00 176.35 176.14 3ddr s SER 344 N 0.49 1.79 -0.05 2.29 0.01 0.59 -0.91 113.70 117.91 3ddr s SER 344 Ca 0.04 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 3ddr s SER 344 Cb -0.12 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.43 3ddr s SER 344 CO 0.01 0.07 -0.01 -0.47 0.41 0.00 0.00 173.24 173.24 3ddr s TYR 345 N 0.44 0.60 -0.11 2.43 5.04 0.21 0.09 117.35 126.05 3ddr s TYR 345 Ca -0.10 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 3ddr s TYR 345 Cb -0.14 -0.67 0.02 0.00 0.35 0.00 0.00 41.96 41.53 3ddr s TYR 345 CO 0.03 -0.24 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.71 3ddr s LEU 346 N 1.44 1.50 -0.11 6.97 2.96 -0.03 -0.77 118.68 130.64 3ddr s LEU 346 Ca -0.03 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3ddr s LEU 346 Cb -0.13 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3ddr s LEU 346 CO -0.03 -0.04 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.18 3ddr s GLN 347 N 1.25 2.74 -0.15 1.98 0.74 -0.08 0.01 119.66 126.15 3ddr s GLN 347 Ca -0.03 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 3ddr s GLN 347 Cb -0.14 -2.17 0.04 0.00 1.10 0.00 0.00 33.01 31.84 3ddr s GLN 347 CO -0.04 0.06 -0.01 -0.08 -0.55 0.00 0.00 175.29 174.66 3ddr s THR 348 N 0.65 0.78 -0.23 -0.34 -1.32 -0.07 -0.35 115.64 114.76 3ddr s THR 348 Ca -0.12 -0.44 -0.06 0.00 -1.21 0.00 0.00 61.69 59.85 3ddr s THR 348 Cb -0.16 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 3ddr s THR 348 CO 0.03 0.06 0.04 -1.58 -2.21 0.00 0.00 174.62 170.96 3ddr s GLN 349 N 1.77 3.62 0.02 7.08 0.74 -0.87 -1.55 119.66 130.47 3ddr s GLN 349 Ca 0.01 -0.50 0.07 0.00 0.05 0.00 0.00 55.36 54.99 3ddr s GLN 349 Cb -0.15 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 3ddr s GLN 349 CO -0.07 -0.14 -0.22 0.99 -0.55 0.00 0.00 175.29 175.30 3ddr s THR 350 N 1.44 2.47 0.00 -0.34 2.01 0.57 -0.85 115.64 120.94 3ddr s THR 350 Ca 0.05 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.89 3ddr s THR 350 Cb -0.15 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 3ddr s THR 350 CO 0.02 0.44 -0.02 0.00 -0.69 0.00 0.00 174.62 174.37 3ddr s ALA 351 N -0.79 0.14 -0.08 7.40 0.00 0.41 0.16 121.76 128.99 3ddr s ALA 351 Ca 0.12 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3ddr s ALA 351 Cb -0.10 -0.00 0.11 0.00 0.00 0.00 0.00 23.12 23.12 3ddr s ALA 351 CO 0.02 0.00 0.89 0.45 0.00 0.00 0.00 175.76 177.12 3ddr s SER 352 N -0.29 -0.44 0.61 0.00 0.15 -0.56 -1.30 113.70 111.87 3ddr s SER 352 Ca -0.02 0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.82 3ddr s SER 352 Cb -0.02 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3ddr s SER 352 CO -0.00 -0.50 1.06 -2.84 1.20 0.00 0.00 173.24 172.16 3ddr s PRO 353 N -1.78 3.25 -0.14 5.44 0.02 -1.26 -0.10 135.00 140.43 3ddr s PRO 353 Ca -0.02 1.20 -0.04 0.00 0.02 0.00 0.00 61.00 62.16 3ddr s PRO 353 Cb -0.01 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3ddr s PRO 353 CO -0.00 -0.87 0.01 0.42 -0.33 0.00 0.00 177.00 176.23 3ddr s ILE 354 N -2.49 4.34 0.24 2.83 1.01 0.22 -4.77 121.20 122.57 3ddr s ILE 354 Ca 0.63 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3ddr s ILE 354 Cb -0.16 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3ddr s ILE 354 CO 0.39 0.52 0.38 0.00 0.00 0.00 0.00 174.94 176.23 3ddr s ALA 355 N -0.04 3.88 0.84 9.38 0.00 -1.26 -1.25 121.76 133.31 3ddr s ALA 355 Ca 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 3ddr s ALA 355 Cb -0.13 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.22 3ddr s ALA 355 CO 0.02 0.26 0.36 0.41 0.00 0.00 0.00 175.76 176.81 3ddr n GLY 356 N -1.25 -0.61 3.65 0.00 0.00 0.66 -4.58 105.19 103.05 3ddr n GLY 356 Ca -0.07 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 3ddr n GLY 356 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 357 N -1.50 1.94 0.05 2.61 -4.23 -1.26 -4.71 115.64 108.54 3ddr s THR 357 Ca 0.21 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 3ddr s THR 357 Cb -0.01 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3ddr s THR 357 CO 0.15 0.00 1.31 -0.22 -0.54 0.00 0.00 174.62 175.31 3ddr s LEU 358 N -6.61 4.35 0.00 4.79 2.96 -1.08 -4.49 118.68 118.60 3ddr s LEU 358 Ca 0.66 2.11 -0.14 0.00 -0.22 0.00 0.00 54.13 56.54 3ddr s LEU 358 Cb -0.18 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.00 3ddr s LEU 358 CO 0.58 -0.60 0.75 1.07 -1.32 0.00 0.00 176.35 176.82 3ddr n THR 359 N 4.21 0.00 -3.50 3.68 5.66 -1.01 -5.01 114.28 118.31 3ddr n THR 359 Ca 0.11 -0.84 -0.38 0.00 -3.05 0.00 0.00 64.05 59.90 3ddr n THR 359 Cb 0.44 0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 70.03 3ddr n THR 359 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ddr s ASN 360 N -2.91 6.71 -0.02 1.09 4.22 -1.26 -2.05 114.94 120.71 3ddr s ASN 360 Ca 0.15 0.84 0.21 0.00 -2.14 0.00 0.00 52.86 51.92 3ddr s ASN 360 Cb -0.04 -2.24 -0.29 0.00 1.28 0.00 0.00 41.25 39.96 3ddr s ASN 360 CO 0.10 0.25 0.59 0.18 -2.04 0.00 0.00 177.10 176.18 3ddr n LEU 361 N 2.38 0.31 0.00 3.54 4.77 -0.30 -4.97 117.00 122.72 3ddr n LEU 361 Ca -0.13 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3ddr n LEU 361 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3ddr n LEU 361 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3ddr n GLY 362 N 1.36 -0.03 0.36 -0.72 0.00 -1.26 -4.93 105.19 99.97 3ddr n GLY 362 Ca -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3ddr n GLY 362 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ddr n THR 363 N -0.36 0.00 -5.01 2.61 -1.04 -1.26 -5.01 114.28 104.21 3ddr n THR 363 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 3ddr n THR 363 Cb 0.00 -0.46 -0.16 0.00 -1.82 0.00 0.00 70.33 67.89 3ddr n THR 363 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ddr s ARG 364 N -1.66 1.95 0.78 -2.82 0.52 -1.26 -5.06 118.95 111.40 3ddr s ARG 364 Ca 0.00 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 3ddr s ARG 364 Cb 0.00 -1.74 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 3ddr s ARG 364 CO 0.00 0.34 0.24 -2.30 0.02 0.00 0.00 175.30 173.61 3ddr n PRO 365 N 2.91 0.12 -2.34 3.54 -0.02 -1.26 -4.35 135.00 133.60 3ddr n PRO 365 Ca -0.17 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.96 3ddr n PRO 365 Cb 0.53 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3ddr n PRO 365 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ddr s PRO 366 N -2.60 4.32 1.26 0.52 0.02 -1.26 -5.16 135.00 132.09 3ddr s PRO 366 Ca 0.59 1.82 -0.20 0.00 0.02 0.00 0.00 61.00 63.24 3ddr s PRO 366 Cb -0.32 -3.57 0.31 0.00 0.02 0.00 0.00 34.50 30.94 3ddr s PRO 366 CO 0.64 -0.51 1.05 0.71 -0.33 0.00 0.00 177.00 178.56 3ddr s TYR 367 N 2.32 0.26 -0.01 6.54 2.02 -1.26 -4.90 117.35 122.33 3ddr s TYR 367 Ca 0.60 0.56 0.01 0.00 -0.37 0.00 0.00 57.07 57.87 3ddr s TYR 367 Cb -0.28 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 3ddr s TYR 367 CO 0.24 -4.17 -0.04 -2.00 -1.57 0.00 0.00 175.55 168.02 3ddr s GLU 368 N -5.25 0.36 -0.32 -0.62 2.56 -1.26 -4.93 118.70 109.23 3ddr s GLU 368 Ca 0.70 -0.12 -0.16 0.00 0.00 0.00 0.00 54.97 55.39 3ddr s GLU 368 Cb -0.12 -0.37 -0.02 0.00 2.00 0.00 0.00 34.13 35.63 3ddr s GLU 368 CO 0.57 0.06 0.41 -1.17 -0.56 0.00 0.00 175.26 174.57 3ddr s LEU 369 N 0.07 4.29 0.00 2.70 2.96 -1.26 -1.15 118.68 126.28 3ddr s LEU 369 Ca -0.00 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3ddr s LEU 369 Cb -0.03 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3ddr s LEU 369 CO -0.00 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3ddr n GLY 370 N 4.81 3.96 2.89 7.98 0.00 -0.87 -4.69 105.19 119.26 3ddr n GLY 370 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3ddr n GLY 370 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ddr s TRP 371 N 0.16 0.12 0.32 1.61 0.51 -1.26 -2.40 118.94 118.00 3ddr s TRP 371 Ca 0.00 -0.02 0.06 0.00 -2.12 0.00 0.00 56.10 54.02 3ddr s TRP 371 Cb 0.00 -0.09 -0.01 0.00 -0.81 0.00 0.00 33.47 32.55 3ddr s TRP 371 CO 0.00 -0.01 0.45 0.15 -0.51 0.00 0.00 176.95 177.03 3ddr s LYS 372 N 0.03 3.20 -0.38 4.98 1.02 -1.26 -4.95 119.74 122.38 3ddr s LYS 372 Ca -0.00 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 3ddr s LYS 372 Cb -0.01 -2.83 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3ddr s LYS 372 CO -0.00 0.14 0.22 0.50 -0.92 0.00 0.00 175.35 175.28 3ddr s ARG 373 N -4.14 2.77 0.41 1.68 3.52 -1.26 -0.25 118.95 121.68 3ddr s ARG 373 Ca 0.42 -1.16 0.22 0.00 -0.13 0.00 0.00 55.73 55.08 3ddr s ARG 373 Cb -0.09 -3.74 0.39 0.00 -1.56 0.00 0.00 34.95 29.95 3ddr s ARG 373 CO 0.31 -0.76 1.61 1.79 -0.81 0.00 0.00 175.30 177.45 3ddr h THR 374 N 5.93 0.22 0.00 4.11 1.35 -1.42 -3.47 112.91 119.63 3ddr h THR 374 Ca -0.25 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3ddr h THR 374 Cb 1.10 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3ddr h THR 374 CO 0.69 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 3ddr n GLY 375 N 1.00 -0.56 2.93 5.82 0.00 -1.17 -0.76 105.19 112.44 3ddr n GLY 375 Ca 0.03 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3ddr n GLY 375 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ddr s TYR 376 N -3.00 -0.05 -0.08 1.61 5.04 -0.49 0.69 117.35 121.07 3ddr s TYR 376 Ca 0.00 0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.80 3ddr s TYR 376 Cb 0.00 0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.32 3ddr s TYR 376 CO 0.00 -0.04 -0.24 0.99 -1.34 0.00 0.00 175.55 174.93 3ddr s THR 377 N -0.04 1.99 -0.14 4.34 2.01 0.86 -1.28 115.64 123.37 3ddr s THR 377 Ca -0.01 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3ddr s THR 377 Cb -0.01 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.82 3ddr s THR 377 CO 0.00 0.55 -0.15 -0.62 -0.69 0.00 0.00 174.62 173.71 3ddr s ASP 378 N 0.15 2.70 -0.11 3.53 -1.08 -0.20 -1.50 116.67 120.16 3ddr s ASP 378 Ca -0.12 -0.50 0.03 0.00 -0.52 0.00 0.00 52.55 51.44 3ddr s ASP 378 Cb -0.16 -1.20 0.01 0.00 -1.46 0.00 0.00 42.92 40.10 3ddr s ASP 378 CO 0.06 -0.03 -0.21 -0.69 0.52 0.00 0.00 175.17 174.82 3ddr s VAL 379 N 1.35 1.90 -0.21 1.11 1.01 0.12 -0.72 120.40 124.97 3ddr s VAL 379 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3ddr s VAL 379 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3ddr s VAL 379 CO -0.09 0.52 0.04 -0.04 0.00 0.00 0.00 175.10 175.53 3ddr s MET 380 N 0.60 3.74 -0.24 2.72 -1.94 -0.67 -0.31 119.30 123.20 3ddr s MET 380 Ca -0.13 -0.45 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 3ddr s MET 380 Cb -0.17 -3.18 0.05 0.00 2.01 0.00 0.00 34.83 33.54 3ddr s MET 380 CO 0.04 0.05 -0.13 0.00 -0.01 0.00 0.00 175.02 174.96 3ddr s ALA 381 N 0.96 2.51 -0.09 3.03 0.00 -0.60 -0.29 121.76 127.28 3ddr s ALA 381 Ca 0.03 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.39 3ddr s ALA 381 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3ddr s ALA 381 CO 0.02 -0.94 -0.09 1.03 0.00 0.00 0.00 175.76 175.78 3ddr s ARG 382 N 1.16 2.93 -0.04 0.00 0.52 -0.35 -0.89 118.95 122.28 3ddr s ARG 382 Ca -0.05 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3ddr s ARG 382 Cb -0.18 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.70 3ddr s ARG 382 CO -0.07 0.53 -0.10 -0.80 0.02 0.00 0.00 175.30 174.87 3ddr s ASN 383 N -0.45 1.44 -0.02 0.23 0.01 0.10 -0.42 114.94 115.84 3ddr s ASN 383 Ca 0.06 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 3ddr s ASN 383 Cb -0.12 -0.50 0.03 0.00 0.41 0.00 0.00 41.25 41.07 3ddr s ASN 383 CO 0.02 0.06 0.02 0.00 -1.51 0.00 0.00 177.10 175.69 3ddr s ALA 384 N 0.37 0.12 -0.02 0.60 0.00 -0.55 -0.85 121.76 121.44 3ddr s ALA 384 Ca -0.07 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 3ddr s ALA 384 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3ddr s ALA 384 CO 0.01 -0.09 0.09 0.00 0.00 0.00 0.00 175.76 175.78 3ddr s ALA 385 N 0.96 -0.22 -0.24 0.00 0.00 0.11 -0.43 121.76 121.95 3ddr s ALA 385 Ca -0.08 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3ddr s ALA 385 Cb -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.02 3ddr s ALA 385 CO -0.02 -0.12 -0.13 0.12 0.00 0.00 0.00 175.76 175.61 3ddr s PHE 386 N -0.64 3.07 0.01 0.00 5.36 0.49 -0.30 117.98 125.95 3ddr s PHE 386 Ca -0.07 -2.10 0.01 0.00 -0.96 0.00 0.00 56.93 53.81 3ddr s PHE 386 Cb -0.04 -1.90 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 3ddr s PHE 386 CO 0.00 -0.85 0.02 -0.51 -1.46 0.00 0.00 175.22 172.43 3ddr s ASP 387 N 1.18 5.26 -0.07 6.13 1.01 0.59 -1.69 116.67 129.07 3ddr s ASP 387 Ca -0.05 0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 3ddr s ASP 387 Cb -0.18 -1.40 0.03 0.00 1.01 0.00 0.00 42.92 42.38 3ddr s ASP 387 CO -0.07 0.27 0.16 -0.47 0.21 0.00 0.00 175.17 175.27 3ddr s TYR 388 N -1.13 -0.19 0.05 4.23 5.04 -0.78 -0.83 117.35 123.73 3ddr s TYR 388 Ca 0.21 0.50 0.04 0.00 -2.44 0.00 0.00 57.07 55.37 3ddr s TYR 388 Cb -0.12 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 3ddr s TYR 388 CO 0.12 -0.14 -0.11 -1.54 -1.34 0.00 0.00 175.55 172.53 3ddr s SER 389 N 0.75 1.32 -0.27 4.32 1.04 -0.77 -0.03 113.70 120.07 3ddr s SER 389 Ca -0.06 -0.50 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 3ddr s SER 389 Cb -0.07 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.10 3ddr s SER 389 CO -0.04 -0.07 0.13 -0.22 0.98 0.00 0.00 173.24 174.02 3ddr s LEU 390 N -1.35 0.49 -0.51 2.42 2.96 0.45 -2.14 118.68 121.00 3ddr s LEU 390 Ca -0.03 -1.18 0.07 0.00 -0.22 0.00 0.00 54.13 52.77 3ddr s LEU 390 Cb -0.09 -0.31 0.28 0.00 0.50 0.00 0.00 46.19 46.58 3ddr s LEU 390 CO 0.01 -0.43 0.70 0.00 -1.32 0.00 0.00 176.35 175.31 3ddr n ALA 391 N 5.26 3.30 -1.68 5.97 0.00 -0.70 -1.94 120.51 130.72 3ddr n ALA 391 Ca -0.06 -4.09 -0.45 0.00 0.00 0.00 0.00 53.44 48.84 3ddr n ALA 391 Cb 0.43 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 3ddr n ALA 391 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ddr n PRO 392 N 0.78 2.49 -1.73 0.00 -0.02 -1.26 -4.18 135.00 131.09 3ddr n PRO 392 Ca 0.26 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.23 3ddr n PRO 392 Cb 0.48 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 3ddr n PRO 392 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ddr n GLU 393 N 5.37 2.71 -0.00 -0.52 0.28 -1.26 -2.15 120.64 125.06 3ddr n GLU 393 Ca 0.19 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 58.16 3ddr n GLU 393 Cb 0.33 -2.78 0.00 0.00 1.43 0.00 0.00 31.44 30.42 3ddr n GLU 393 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ddr n ASP 394 N 3.10 0.00 -4.45 -1.84 8.00 -1.26 -5.00 116.55 115.10 3ddr n ASP 394 Ca 0.13 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 3ddr n ASP 394 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 3ddr n ASP 394 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ddr s VAL 395 N -2.52 5.15 0.05 2.53 1.01 -0.92 -4.95 120.40 120.75 3ddr s VAL 395 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3ddr s VAL 395 Cb 0.00 -4.06 -0.26 0.00 0.00 0.00 0.00 36.38 32.06 3ddr s VAL 395 CO 0.00 -0.47 1.03 0.44 0.00 0.00 0.00 175.10 176.10 3ddr h ASP 396 N 8.74 0.30 0.00 3.32 3.32 -1.85 -3.12 116.42 127.13 3ddr h ASP 396 Ca -0.27 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3ddr h ASP 396 Cb 1.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3ddr h ASP 396 CO 0.81 1.30 0.00 -2.67 -1.72 0.00 0.00 179.24 176.96 3ddr n TRP 397 N -3.43 0.00 -3.70 4.55 4.27 -1.26 -2.11 117.44 115.76 3ddr n TRP 397 Ca -0.10 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.21 3ddr n TRP 397 Cb 1.02 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.83 3ddr n TRP 397 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3ddr s LEU 398 N -1.50 2.40 -0.46 5.67 2.96 -1.18 -4.60 118.68 121.97 3ddr s LEU 398 Ca 0.19 -2.24 0.03 0.00 -0.22 0.00 0.00 54.13 51.90 3ddr s LEU 398 Cb 0.09 -0.92 0.16 0.00 0.50 0.00 0.00 46.19 46.01 3ddr s LEU 398 CO 0.15 -0.32 0.33 -0.62 -1.32 0.00 0.00 176.35 174.56 3ddr s ASP 399 N 0.87 2.71 -0.05 3.68 2.15 -1.13 -4.05 116.67 120.84 3ddr s ASP 399 Ca 0.15 -2.99 -0.03 0.00 0.43 0.00 0.00 52.55 50.11 3ddr s ASP 399 Cb -0.22 -0.76 -0.04 0.00 -0.30 0.00 0.00 42.92 41.60 3ddr s ASP 399 CO -0.08 -0.19 0.11 0.12 -0.17 0.00 0.00 175.17 174.95 3ddr s PHE 400 N -0.00 3.41 0.02 -5.34 5.36 -0.82 -1.59 117.98 119.03 3ddr s PHE 400 Ca 0.26 0.33 -0.08 0.00 -0.96 0.00 0.00 56.93 56.49 3ddr s PHE 400 Cb -0.07 -1.82 -0.00 0.00 -0.34 0.00 0.00 43.02 40.78 3ddr s PHE 400 CO -0.12 0.61 0.14 1.14 -1.46 0.00 0.00 175.22 175.54 3ddr s GLN 401 N -1.42 0.57 0.05 10.12 -2.07 -0.31 -0.41 119.66 126.18 3ddr s GLN 401 Ca 0.20 -0.54 -0.08 0.00 -1.82 0.00 0.00 55.36 53.12 3ddr s GLN 401 Cb -0.12 0.23 -0.00 0.00 -1.09 0.00 0.00 33.01 32.03 3ddr s GLN 401 CO 0.10 -0.14 0.16 0.00 -1.32 0.00 0.00 175.29 174.08 3ddr s ALA 402 N -1.98 -0.20 -0.07 2.60 0.00 0.96 -1.45 121.76 121.62 3ddr s ALA 402 Ca -0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3ddr s ALA 402 Cb -0.04 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3ddr s ALA 402 CO -0.01 -0.40 0.18 0.21 0.00 0.00 0.00 175.76 175.74 3ddr s LYS 403 N -3.06 0.19 -0.13 0.00 2.20 0.48 -1.86 119.74 117.56 3ddr s LYS 403 Ca -0.01 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 3ddr s LYS 403 Cb 0.01 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.37 3ddr s LYS 403 CO -0.07 -0.07 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.17 3ddr s LEU 404 N 0.45 1.88 0.05 5.43 1.02 -0.68 -0.98 118.68 125.85 3ddr s LEU 404 Ca -0.03 -0.52 -0.03 0.00 0.02 0.00 0.00 54.13 53.57 3ddr s LEU 404 Cb -0.04 -1.26 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 3ddr s LEU 404 CO -0.02 0.02 0.02 -0.72 0.02 0.00 0.00 176.35 175.67 3ddr s TYR 405 N 1.08 0.40 -0.06 0.29 -0.85 -0.34 -0.38 117.35 117.49 3ddr s TYR 405 Ca -0.03 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 55.63 3ddr s TYR 405 Cb -0.14 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 41.93 3ddr s TYR 405 CO -0.05 -0.39 0.00 -0.47 -1.52 0.00 0.00 175.55 173.12 3ddr s TYR 406 N -3.58 0.59 -0.13 -3.49 6.14 0.43 -0.89 117.35 116.41 3ddr s TYR 406 Ca 0.04 -0.12 0.01 0.00 0.64 0.00 0.00 57.07 57.64 3ddr s TYR 406 Cb 0.05 -0.72 -0.00 0.00 0.42 0.00 0.00 41.96 41.71 3ddr s TYR 406 CO -0.09 -0.28 -0.18 0.08 0.64 0.00 0.00 175.55 175.72 3ddr s VAL 407 N 1.80 2.51 -0.44 3.14 1.01 -0.14 -1.48 120.40 126.81 3ddr s VAL 407 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3ddr s VAL 407 Cb -0.13 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.37 3ddr s VAL 407 CO -0.04 0.53 0.27 -0.62 0.00 0.00 0.00 175.10 175.24 3ddr s ASP 408 N 0.61 3.24 -0.21 3.32 2.15 0.44 -0.12 116.67 126.11 3ddr s ASP 408 Ca -0.10 -2.71 -0.07 0.00 0.43 0.00 0.00 52.55 50.09 3ddr s ASP 408 Cb -0.16 -0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 41.57 3ddr s ASP 408 CO 0.03 -0.24 0.07 0.28 -0.17 0.00 0.00 175.17 175.13 3ddr s THR 409 N 0.30 4.64 -0.06 1.71 -1.32 -0.80 -1.21 115.64 118.90 3ddr s THR 409 Ca 0.21 -0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3ddr s THR 409 Cb -0.17 -3.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.72 3ddr s THR 409 CO -0.04 0.41 -0.07 -1.58 -2.21 0.00 0.00 174.62 171.13 3ddr s GLN 410 N 0.80 1.19 -0.23 7.08 0.74 0.60 -1.07 119.66 128.77 3ddr s GLN 410 Ca 0.04 -0.20 -0.06 0.00 0.05 0.00 0.00 55.36 55.18 3ddr s GLN 410 Cb -0.13 -1.15 -0.03 0.00 1.10 0.00 0.00 33.01 32.79 3ddr s GLN 410 CO 0.02 -0.10 0.04 0.34 -0.55 0.00 0.00 175.29 175.04 3ddr s ASP 411 N 1.08 5.04 -0.34 6.67 -1.08 0.95 -1.67 116.67 127.31 3ddr s ASP 411 Ca -0.08 -0.19 -0.03 0.00 -0.52 0.00 0.00 52.55 51.73 3ddr s ASP 411 Cb -0.14 -1.89 0.07 0.00 -1.46 0.00 0.00 42.92 39.50 3ddr s ASP 411 CO -0.01 0.01 0.09 -1.81 0.52 0.00 0.00 175.17 173.97 3ddr s ASP 412 N 1.33 5.09 -0.13 -0.34 1.01 0.11 -0.57 116.67 123.16 3ddr s ASP 412 Ca 0.05 -1.52 0.02 0.00 0.71 0.00 0.00 52.55 51.81 3ddr s ASP 412 Cb -0.15 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.02 3ddr s ASP 412 CO 0.02 -0.37 -0.19 -0.44 0.21 0.00 0.00 175.17 174.41 3ddr s SER 413 N 1.47 2.81 -0.05 0.27 0.01 -0.89 -1.03 113.70 116.29 3ddr s SER 413 Ca 0.00 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 3ddr s SER 413 Cb -0.21 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 3ddr s SER 413 CO -0.02 0.04 0.54 -1.81 0.41 0.00 0.00 173.24 172.41 3ddr s ASP 414 N 0.94 6.86 -0.36 2.44 1.11 -0.41 -1.03 116.67 126.22 3ddr s ASP 414 Ca -0.06 1.02 -0.04 0.00 0.18 0.00 0.00 52.55 53.65 3ddr s ASP 414 Cb -0.15 -2.33 0.07 0.00 1.07 0.00 0.00 42.92 41.59 3ddr s ASP 414 CO -0.03 0.08 0.13 -0.89 1.18 0.00 0.00 175.17 175.65 3ddr s THR 415 N 0.04 3.42 0.53 -1.27 2.01 0.27 -1.40 115.64 119.24 3ddr s THR 415 Ca 0.29 -1.59 -0.22 0.00 0.31 0.00 0.00 61.69 60.48 3ddr s THR 415 Cb -0.17 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3ddr s THR 415 CO 0.14 -0.40 1.29 -0.31 -0.69 0.00 0.00 174.62 174.66 3ddr s TYR 416 N 1.26 2.45 0.31 4.92 4.12 0.06 -1.86 117.35 128.61 3ddr s TYR 416 Ca 0.02 1.43 -0.29 0.00 0.02 0.00 0.00 57.07 58.25 3ddr s TYR 416 Cb -0.21 -3.66 -0.10 0.00 -1.52 0.00 0.00 41.96 36.46 3ddr s TYR 416 CO -0.01 -2.47 1.29 -1.54 0.02 0.00 0.00 175.55 172.84 3ddr s SER 417 N -1.11 6.83 0.29 2.29 1.04 -1.26 -4.75 113.70 117.03 3ddr s SER 417 Ca 0.70 2.61 0.07 0.00 0.48 0.00 0.00 55.95 59.81 3ddr s SER 417 Cb -0.36 -2.64 0.45 0.00 0.10 0.00 0.00 66.02 63.57 3ddr s SER 417 CO 0.43 -0.50 1.70 0.71 0.98 0.00 0.00 173.24 176.56 3ddr h THR 418 N 3.14 1.31 -4.47 2.02 1.35 -1.92 -3.43 112.91 110.92 3ddr h THR 418 Ca -0.48 -1.54 -0.70 0.00 -0.55 0.00 0.00 66.41 63.14 3ddr h THR 418 Cb 1.22 1.71 -0.29 0.00 -1.73 0.00 0.00 68.15 69.06 3ddr h THR 418 CO 0.68 0.46 -0.87 -0.94 -0.25 0.00 0.00 175.52 174.59 3ddr s SER 419 N -6.88 3.19 0.00 5.36 1.04 -1.26 -5.00 113.70 110.15 3ddr s SER 419 Ca -0.04 -0.44 0.17 0.00 0.48 0.00 0.00 55.95 56.12 3ddr s SER 419 Cb 0.13 -0.46 0.81 0.00 0.10 0.00 0.00 66.02 66.59 3ddr s SER 419 CO 0.77 0.32 1.52 -1.54 0.98 0.00 0.00 173.24 175.28 3ddr n SER 420 N 2.48 0.00 -0.46 7.02 3.41 -1.26 -1.40 113.62 123.41 3ddr n SER 420 Ca -0.16 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 3ddr n SER 420 Cb 0.51 -0.37 0.09 0.00 -0.26 0.00 0.00 64.21 64.18 3ddr n SER 420 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ddr n LEU 421 N -1.37 1.84 0.00 1.04 4.77 -1.26 -4.97 117.00 117.05 3ddr n LEU 421 Ca 0.07 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 55.10 3ddr n LEU 421 Cb 0.16 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3ddr n LEU 421 CO 0.14 0.34 -0.11 0.18 -1.33 0.00 0.00 177.39 176.61 3ddr n LEU 422 N -0.11 0.00 -1.12 2.23 7.99 -0.49 -5.06 117.00 120.43 3ddr n LEU 422 Ca 0.10 -2.90 0.05 0.00 -0.01 0.00 0.00 56.01 53.25 3ddr n LEU 422 Cb 0.45 0.19 0.09 0.00 -0.11 0.00 0.00 43.42 44.04 3ddr n LEU 422 CO 0.27 -0.48 0.18 -0.67 -1.51 0.00 0.00 177.39 175.18 3ddr n ASP 423 N -1.51 1.28 -0.92 -1.43 2.03 -1.26 -4.87 116.55 109.87 3ddr n ASP 423 Ca -0.13 -2.75 -0.01 0.00 0.52 0.00 0.00 54.79 52.42 3ddr n ASP 423 Cb 0.60 -0.39 0.01 0.00 -0.72 0.00 0.00 41.12 40.62 3ddr n ASP 423 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ddr n ASN 424 N -0.15 2.55 -4.86 1.67 6.94 -1.26 -4.84 115.26 115.30 3ddr n ASN 424 Ca 0.11 -2.05 -0.31 0.00 -0.02 0.00 0.00 54.58 52.31 3ddr n ASN 424 Cb 0.96 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.85 3ddr n ASN 424 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ddr s GLY 425 N 0.67 1.88 0.04 4.83 0.00 -1.26 -4.56 107.32 108.91 3ddr s GLY 425 Ca 0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.44 3ddr s GLY 425 CO 0.00 0.18 0.56 -2.52 0.00 0.00 0.00 173.10 171.32 3ddr s TYR 426 N -2.69 -0.48 -0.14 1.90 -0.85 -0.78 -4.90 117.35 109.42 3ddr s TYR 426 Ca 0.55 0.58 -0.06 0.00 -0.52 0.00 0.00 57.07 57.62 3ddr s TYR 426 Cb -0.10 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 3ddr s TYR 426 CO 0.38 -0.66 0.09 0.00 -1.52 0.00 0.00 175.55 173.84 3ddr s ALA 427 N -2.32 3.61 -0.09 9.51 0.00 -1.26 -0.57 121.76 130.64 3ddr s ALA 427 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 3ddr s ALA 427 Cb -0.01 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.27 3ddr s ALA 427 CO -0.01 0.46 -0.00 -0.08 0.00 0.00 0.00 175.76 176.13 3ddr s THR 428 N -0.50 0.45 -0.10 0.00 -1.32 -0.20 -1.75 115.64 112.22 3ddr s THR 428 Ca 0.11 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.47 3ddr s THR 428 Cb -0.12 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 3ddr s THR 428 CO 0.02 0.23 0.35 -0.60 -2.21 0.00 0.00 174.62 172.40 3ddr s ARG 429 N 1.94 4.10 -0.04 7.08 3.52 -0.77 -2.09 118.95 132.70 3ddr s ARG 429 Ca 0.04 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 3ddr s ARG 429 Cb -0.13 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3ddr s ARG 429 CO -0.06 0.40 -0.00 -0.08 -0.81 0.00 0.00 175.30 174.75 3ddr s THR 430 N -0.08 0.25 -0.02 4.11 -1.32 0.27 -2.60 115.64 116.25 3ddr s THR 430 Ca 0.20 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 3ddr s THR 430 Cb -0.14 -0.35 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 3ddr s THR 430 CO 0.08 0.18 0.05 -0.60 -2.21 0.00 0.00 174.62 172.11 3ddr s ARG 431 N 1.23 0.03 -0.12 7.08 3.52 -0.37 -0.03 118.95 130.28 3ddr s ARG 431 Ca -0.07 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3ddr s ARG 431 Cb -0.13 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.21 3ddr s ARG 431 CO -0.02 -0.06 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.11 3ddr s LEU 432 N 0.40 1.58 -0.03 -0.88 2.96 -0.23 -1.59 118.68 120.89 3ddr s LEU 432 Ca -0.03 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3ddr s LEU 432 Cb -0.05 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3ddr s LEU 432 CO -0.01 -0.03 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.85 3ddr s ARG 433 N 1.27 2.86 -0.10 1.98 0.52 -0.71 -1.91 118.95 122.87 3ddr s ARG 433 Ca -0.01 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 3ddr s ARG 433 Cb -0.14 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3ddr s ARG 433 CO -0.05 0.66 -0.13 0.99 0.02 0.00 0.00 175.30 176.78 3ddr s THR 434 N -1.00 1.33 -0.31 0.02 2.01 0.83 -0.21 115.64 118.31 3ddr s THR 434 Ca 0.17 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 3ddr s THR 434 Cb -0.11 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3ddr s THR 434 CO 0.07 0.41 0.12 -0.31 -0.69 0.00 0.00 174.62 174.21 3ddr s TYR 435 N 0.97 3.17 0.07 4.92 1.51 -0.52 -0.96 117.35 126.51 3ddr s TYR 435 Ca -0.08 -0.89 0.10 0.00 -1.01 0.00 0.00 57.07 55.19 3ddr s TYR 435 Cb -0.15 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 3ddr s TYR 435 CO -0.01 -0.56 -0.26 0.20 -1.11 0.00 0.00 175.55 173.81 3ddr s GLY 436 N 1.53 1.43 -0.10 0.71 0.00 -0.07 -0.97 107.32 109.85 3ddr s GLY 436 Ca 0.03 -1.31 -0.05 0.00 0.00 0.00 0.00 44.72 43.38 3ddr s GLY 436 CO 0.04 -1.23 0.24 0.00 0.00 0.00 0.00 173.10 172.15 3ddr s ALA 437 N -0.89 -0.55 0.04 3.20 0.00 0.11 -1.20 121.76 122.47 3ddr s ALA 437 Ca 0.12 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3ddr s ALA 437 Cb -0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3ddr s ALA 437 CO 0.03 -0.19 -0.05 1.14 0.00 0.00 0.00 175.76 176.69 3ddr s GLN 438 N 1.23 0.47 -0.29 0.00 -2.07 -0.15 0.22 119.66 119.06 3ddr s GLN 438 Ca -0.09 -0.80 0.03 0.00 -1.82 0.00 0.00 55.36 52.67 3ddr s GLN 438 Cb -0.10 -0.05 0.20 0.00 -1.09 0.00 0.00 33.01 31.96 3ddr s GLN 438 CO -0.08 -0.02 0.60 0.00 -1.32 0.00 0.00 175.29 174.47 3ddr s ALA 439 N -1.92 -2.36 0.35 2.60 0.00 -0.77 -0.38 121.76 119.27 3ddr s ALA 439 Ca -0.08 1.40 0.09 0.00 0.00 0.00 0.00 51.96 53.36 3ddr s ALA 439 Cb -0.06 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 3ddr s ALA 439 CO -0.02 -1.62 0.00 1.14 0.00 0.00 0.00 175.76 175.27 3ddr s GLN 440 N 2.84 2.02 -0.13 0.00 -2.07 -0.53 -2.48 119.66 119.31 3ddr s GLN 440 Ca 0.15 -1.84 -0.06 0.00 -1.82 0.00 0.00 55.36 51.79 3ddr s GLN 440 Cb -0.12 -1.85 0.06 0.00 -1.09 0.00 0.00 33.01 30.00 3ddr s GLN 440 CO -0.24 0.10 0.31 1.21 -1.32 0.00 0.00 175.29 175.34 3ddr s ASN 441 N -3.71 -0.23 -0.05 12.60 2.47 -0.21 -1.16 114.94 124.64 3ddr s ASN 441 Ca 0.35 0.67 -0.04 0.00 0.42 0.00 0.00 52.86 54.26 3ddr s ASN 441 Cb 0.02 0.62 -0.04 0.00 -1.45 0.00 0.00 41.25 40.40 3ddr s ASN 441 CO 0.19 -0.19 0.13 0.42 -3.72 0.00 0.00 177.10 173.93 3ddr s THR 442 N 1.58 5.25 -0.34 -5.21 -4.23 -0.62 -2.47 115.64 109.60 3ddr s THR 442 Ca -0.07 -0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3ddr s THR 442 Cb -0.10 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.48 3ddr s THR 442 CO -0.10 0.46 0.14 -0.44 -0.54 0.00 0.00 174.62 174.13 3ddr s SER 443 N -1.50 3.86 0.29 3.99 0.01 0.16 -2.82 113.70 117.70 3ddr s SER 443 Ca 0.21 -1.90 -0.28 0.00 1.31 0.00 0.00 55.95 55.29 3ddr s SER 443 Cb -0.12 -0.87 -0.09 0.00 0.21 0.00 0.00 66.02 65.15 3ddr s SER 443 CO 0.11 -0.37 0.96 -0.13 0.41 0.00 0.00 173.24 174.22 3ddr s ARG 444 N 1.29 4.67 -0.14 12.44 0.52 -0.89 -2.20 118.95 134.65 3ddr s ARG 444 Ca 0.12 1.44 -0.30 0.00 -0.52 0.00 0.00 55.73 56.47 3ddr s ARG 444 Cb -0.19 -3.01 0.13 0.00 0.52 0.00 0.00 34.95 32.40 3ddr s ARG 444 CO -0.18 0.34 1.03 -0.59 0.02 0.00 0.00 175.30 175.93 3ddr s PHE 445 N -1.41 -0.31 0.16 -0.53 -0.12 -0.48 -4.11 117.98 111.19 3ddr s PHE 445 Ca 0.46 0.42 0.11 0.00 -0.05 0.00 0.00 56.93 57.87 3ddr s PHE 445 Cb -0.23 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3ddr s PHE 445 CO 0.29 -0.35 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.76 3ddr s SER 446 N -1.56 3.50 0.00 1.98 0.01 -1.26 -0.77 113.70 115.60 3ddr s SER 446 Ca 0.02 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.52 3ddr s SER 446 Cb -0.01 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.94 3ddr s SER 446 CO -0.02 0.15 0.70 0.18 0.41 0.00 0.00 173.24 174.65 3ddr n LEU 447 N 0.53 1.45 0.00 2.44 4.32 -1.05 -5.02 117.00 119.67 3ddr n LEU 447 Ca -0.15 -1.30 0.00 0.00 -0.02 0.00 0.00 56.01 54.55 3ddr n LEU 447 Cb 0.55 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 3ddr n LEU 447 CO 0.27 0.35 0.00 0.00 -1.22 0.00 0.00 177.39 176.79 3ddr n ALA 448 N -0.03 0.00 0.24 -1.18 0.00 -1.26 -4.97 120.51 113.31 3ddr n ALA 448 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 3ddr n ALA 448 Cb 0.11 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.76 3ddr n ALA 448 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ddr h PRO 449 N 0.00 0.00 0.00 0.00 0.11 -2.05 0.75 132.00 130.81 3ddr h PRO 449 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ddr h PRO 449 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ddr h PRO 449 CO 0.00 0.00 -0.16 0.41 -0.21 0.00 0.00 178.00 178.04 3ddr n GLY 450 N -1.50 -1.08 3.25 -0.55 0.00 -1.26 -5.02 105.19 99.03 3ddr n GLY 450 Ca 0.03 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3ddr n GLY 450 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddr s HIS 451 N -0.19 3.40 -0.16 1.61 3.76 0.25 -3.22 115.29 120.74 3ddr s HIS 451 Ca 0.01 -1.74 -0.08 0.00 -0.15 0.00 0.00 55.06 53.11 3ddr s HIS 451 Cb 0.01 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 3ddr s HIS 451 CO 0.00 -1.00 0.11 -0.51 -0.85 0.00 0.00 174.74 172.49 3ddr s ASP 452 N 2.83 6.04 -0.02 1.40 1.01 -1.01 -2.53 116.67 124.39 3ddr s ASP 452 Ca 0.07 0.26 0.08 0.00 0.71 0.00 0.00 52.55 53.67 3ddr s ASP 452 Cb -0.26 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3ddr s ASP 452 CO -0.00 0.27 -0.25 -0.36 0.21 0.00 0.00 175.17 175.04 3ddr s PHE 453 N -0.20 2.23 -0.12 4.23 0.40 0.05 -0.10 117.98 124.47 3ddr s PHE 453 Ca 0.10 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 3ddr s PHE 453 Cb -0.12 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.99 3ddr s PHE 453 CO 0.01 -0.03 -0.18 0.50 0.70 0.00 0.00 175.22 176.22 3ddr s ARG 454 N -0.60 2.53 -0.13 0.44 3.52 -0.74 -1.38 118.95 122.58 3ddr s ARG 454 Ca 0.10 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3ddr s ARG 454 Cb -0.10 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.17 3ddr s ARG 454 CO -0.01 -0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 174.30 3ddr s ALA 455 N 0.95 2.65 -0.15 6.12 0.00 -0.93 -0.99 121.76 129.41 3ddr s ALA 455 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3ddr s ALA 455 Cb -0.15 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.77 3ddr s ALA 455 CO -0.02 0.24 -0.04 1.21 0.00 0.00 0.00 175.76 177.15 3ddr s ASN 456 N 0.36 2.60 0.05 0.00 2.47 0.16 0.37 114.94 120.95 3ddr s ASN 456 Ca -0.10 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.61 3ddr s ASN 456 Cb -0.16 -0.80 -0.03 0.00 -1.45 0.00 0.00 41.25 38.81 3ddr s ASN 456 CO 0.05 -0.20 -0.04 -0.72 -3.72 0.00 0.00 177.10 172.48 3ddr s TYR 457 N 1.72 0.56 -2.56 0.43 1.13 -1.03 0.12 117.35 117.72 3ddr s TYR 457 Ca 0.02 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.81 3ddr s TYR 457 Cb -0.15 -0.37 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 3ddr s TYR 457 CO -0.07 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 3ddr n GLY 458 N 0.55 -0.88 3.28 5.49 0.00 -0.71 -1.04 105.19 111.87 3ddr n GLY 458 Ca -0.17 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3ddr n GLY 458 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ddr s LEU 459 N 0.00 0.47 0.11 0.99 0.05 -1.04 -1.93 118.68 117.34 3ddr s LEU 459 Ca 0.00 0.80 0.09 0.00 0.05 0.00 0.00 54.13 55.07 3ddr s LEU 459 Cb 0.00 1.35 -0.04 0.00 -2.05 0.00 0.00 46.19 45.45 3ddr s LEU 459 CO 0.00 -0.14 -0.21 -0.70 -0.55 0.00 0.00 176.35 174.75 3ddr s GLU 460 N 0.26 1.71 -0.10 1.48 2.12 -0.64 -1.85 118.70 121.68 3ddr s GLU 460 Ca -0.00 -1.20 -0.05 0.00 0.36 0.00 0.00 54.97 54.08 3ddr s GLU 460 Cb -0.03 -2.05 0.05 0.00 0.26 0.00 0.00 34.13 32.35 3ddr s GLU 460 CO 0.00 0.48 0.22 0.12 -0.54 0.00 0.00 175.26 175.54 3ddr s PHE 461 N -1.07 -0.30 0.02 5.30 2.19 0.13 -0.53 117.98 123.73 3ddr s PHE 461 Ca 0.16 0.74 0.03 0.00 0.33 0.00 0.00 56.93 58.19 3ddr s PHE 461 Cb -0.10 -0.02 -0.02 0.00 -1.31 0.00 0.00 43.02 41.57 3ddr s PHE 461 CO 0.08 -0.25 -0.09 1.52 1.83 0.00 0.00 175.22 178.32 3ddr s TYR 462 N 1.54 0.77 -0.24 10.12 1.13 -1.03 0.06 117.35 129.70 3ddr s TYR 462 Ca -0.06 -0.31 0.02 0.00 -1.41 0.00 0.00 57.07 55.31 3ddr s TYR 462 Cb -0.11 -0.47 0.05 0.00 -1.10 0.00 0.00 41.96 40.34 3ddr s TYR 462 CO -0.08 -0.02 -0.11 -0.47 -2.51 0.00 0.00 175.55 172.36 3ddr s TYR 463 N -0.76 3.00 0.03 -3.49 6.14 -0.14 -2.17 117.35 119.96 3ddr s TYR 463 Ca -0.02 -2.09 -0.25 0.00 0.64 0.00 0.00 57.07 55.35 3ddr s TYR 463 Cb -0.06 -1.85 -0.05 0.00 0.42 0.00 0.00 41.96 40.42 3ddr s TYR 463 CO 0.00 -0.84 0.78 -0.51 0.64 0.00 0.00 175.55 175.62 3ddr s ASP 464 N 1.20 7.21 -0.21 4.32 1.01 0.15 -1.44 116.67 128.90 3ddr s ASP 464 Ca -0.06 1.44 -0.00 0.00 0.71 0.00 0.00 52.55 54.64 3ddr s ASP 464 Cb -0.19 -2.47 0.06 0.00 1.01 0.00 0.00 42.92 41.33 3ddr s ASP 464 CO -0.06 -0.01 -0.04 -0.75 0.21 0.00 0.00 175.17 174.52 3ddr s LYS 465 N 0.08 1.41 0.05 8.23 2.20 0.71 -1.42 119.74 130.99 3ddr s LYS 465 Ca 0.39 -0.78 -0.13 0.00 -0.36 0.00 0.00 55.97 55.09 3ddr s LYS 465 Cb -0.20 -2.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 3ddr s LYS 465 CO 0.23 -0.57 0.43 0.00 -0.36 0.00 0.00 175.35 175.09 3ddr s ALA 466 N 1.53 3.68 -0.09 3.13 0.00 0.11 -1.74 121.76 128.39 3ddr s ALA 466 Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 3ddr s ALA 466 Cb -0.18 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3ddr s ALA 466 CO -0.07 0.50 0.26 0.95 0.00 0.00 0.00 175.76 177.40 3ddr s THR 467 N -1.22 0.01 -0.26 0.00 -4.23 -0.62 -3.10 115.64 106.22 3ddr s THR 467 Ca 0.28 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.57 3ddr s THR 467 Cb -0.16 -0.39 0.07 0.00 1.34 0.00 0.00 72.50 73.37 3ddr s THR 467 CO 0.16 -0.04 0.63 -0.55 -0.54 0.00 0.00 174.62 174.28 3ddr s SER 468 N -0.05 -0.84 0.12 3.99 0.15 -1.26 -1.24 113.70 114.57 3ddr s SER 468 Ca -0.02 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.07 3ddr s SER 468 Cb -0.02 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.52 3ddr s SER 468 CO 0.01 -0.23 -0.13 1.51 1.20 0.00 0.00 173.24 175.59 3ddr s ASP 469 N 1.44 1.94 0.26 5.45 1.47 -1.07 -4.76 116.67 121.41 3ddr s ASP 469 Ca -0.09 -0.83 -0.10 0.00 1.18 0.00 0.00 52.55 52.71 3ddr s ASP 469 Cb -0.06 -0.06 -0.01 0.00 -0.34 0.00 0.00 42.92 42.46 3ddr s ASP 469 CO -0.16 -0.17 0.44 -0.55 0.68 0.00 0.00 175.17 175.41 3ddr s SER 470 N -2.53 0.10 0.00 2.11 0.15 -1.26 -1.84 113.70 110.43 3ddr s SER 470 Ca 0.09 -1.08 0.18 0.00 0.70 0.00 0.00 55.95 55.84 3ddr s SER 470 Cb -0.04 0.58 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 3ddr s SER 470 CO 0.03 -1.14 1.04 -1.54 1.20 0.00 0.00 173.24 172.82 3ddr n SER 471 N -0.56 2.33 -4.87 5.45 3.41 -0.71 -4.91 113.62 113.75 3ddr n SER 471 Ca -0.01 -1.66 -0.33 0.00 -0.26 0.00 0.00 58.87 56.61 3ddr n SER 471 Cb 0.62 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 3ddr n SER 471 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3ddr s ARG 472 N -1.67 3.78 0.01 4.33 0.52 -1.26 -4.92 118.95 119.73 3ddr s ARG 472 Ca 0.20 0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 55.59 3ddr s ARG 472 Cb 0.15 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 3ddr s ARG 472 CO 0.29 0.42 1.03 1.96 0.02 0.00 0.00 175.30 179.01 3ddr h GLN 473 N 2.96 -0.00 -0.45 3.54 1.08 -1.95 -3.22 115.11 117.07 3ddr h GLN 473 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3ddr h GLN 473 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3ddr h GLN 473 CO 0.69 -0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.98 3ddr n GLY 474 N -1.01 1.92 0.21 3.46 0.00 -1.26 -4.56 105.19 103.94 3ddr n GLY 474 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.35 3ddr n GLY 474 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ddr h MET 475 N 4.07 0.08 -1.49 1.61 2.86 -1.77 -2.93 114.93 117.36 3ddr h MET 475 Ca 0.00 -0.02 0.47 0.00 -2.06 0.00 0.00 59.70 58.09 3ddr h MET 475 Cb 0.94 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.48 3ddr h MET 475 CO 0.00 0.35 1.00 0.93 1.06 0.00 0.00 176.91 180.25 3ddr h GLU 476 N 0.07 0.05 -0.21 1.72 5.08 -1.80 -0.46 114.58 119.02 3ddr h GLU 476 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ddr h GLU 476 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ddr h GLU 476 CO 0.04 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 3ddr n GLY 477 N -1.64 1.86 0.28 -3.84 0.00 -1.11 -4.36 105.19 96.39 3ddr n GLY 477 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ddr n GLY 477 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ddr h VAL 478 N 1.72 1.19 0.02 1.61 2.07 -1.18 0.36 116.25 122.03 3ddr h VAL 478 Ca 0.00 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3ddr h VAL 478 Cb 0.60 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3ddr h VAL 478 CO 0.00 0.25 -0.01 0.74 0.02 0.00 0.00 177.57 178.57 3ddr h THR 479 N 0.57 1.08 0.00 2.57 2.02 -1.76 -3.41 112.91 113.98 3ddr h THR 479 Ca 0.13 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3ddr h THR 479 Cb 0.26 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3ddr h THR 479 CO 0.00 0.36 0.00 -0.81 0.37 0.00 0.00 175.52 175.44 3ddr n PRO 480 N -4.70 0.00 -3.59 6.66 -0.05 -1.26 -4.46 135.00 127.60 3ddr n PRO 480 Ca -0.06 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.36 3ddr n PRO 480 Cb 0.29 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.69 3ddr n PRO 480 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ddr s ALA 481 N -2.36 -2.20 0.00 0.55 0.00 -1.26 -4.15 121.76 112.33 3ddr s ALA 481 Ca 0.00 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.23 3ddr s ALA 481 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3ddr s ALA 481 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3ddr n GLY 482 N 4.56 -0.71 3.23 0.00 0.00 -1.18 -4.50 105.19 106.60 3ddr n GLY 482 Ca -0.15 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3ddr n GLY 482 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s ASN 483 N -4.00 -0.22 -0.10 1.61 2.20 0.26 -0.71 114.94 113.98 3ddr s ASN 483 Ca 0.00 0.20 -0.06 0.00 -0.94 0.00 0.00 52.86 52.06 3ddr s ASN 483 Cb 0.00 0.39 0.04 0.00 -2.00 0.00 0.00 41.25 39.68 3ddr s ASN 483 CO 0.00 -0.38 0.23 -0.60 -2.94 0.00 0.00 177.10 173.41 3ddr s ARG 484 N -1.03 0.21 -0.05 3.55 3.52 -0.51 -0.71 118.95 123.94 3ddr s ARG 484 Ca -0.11 0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.95 3ddr s ARG 484 Cb -0.05 -0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 3ddr s ARG 484 CO 0.03 -0.13 0.02 -1.54 -0.81 0.00 0.00 175.30 172.87 3ddr s SER 485 N 0.99 1.00 -0.02 -2.12 1.04 -0.83 0.33 113.70 114.10 3ddr s SER 485 Ca -0.07 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3ddr s SER 485 Cb -0.08 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 3ddr s SER 485 CO -0.06 -0.17 0.01 0.54 0.98 0.00 0.00 173.24 174.53 3ddr s VAL 486 N 1.63 4.22 -0.18 5.02 0.11 -0.92 -1.10 120.40 129.18 3ddr s VAL 486 Ca -0.01 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 3ddr s VAL 486 Cb -0.13 -2.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.88 3ddr s VAL 486 CO -0.03 0.42 -0.19 0.00 -3.33 0.00 0.00 175.10 171.97 3ddr s ALA 487 N -1.05 2.34 -0.04 1.54 0.00 -0.63 -2.47 121.76 121.44 3ddr s ALA 487 Ca 0.19 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3ddr s ALA 487 Cb -0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3ddr s ALA 487 CO 0.09 -0.41 0.01 -1.12 0.00 0.00 0.00 175.76 174.32 3ddr s SER 488 N 1.28 5.20 -0.19 0.00 0.01 0.31 -1.92 113.70 118.39 3ddr s SER 488 Ca 0.04 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 3ddr s SER 488 Cb -0.13 -1.42 0.05 0.00 0.21 0.00 0.00 66.02 64.73 3ddr s SER 488 CO -0.12 0.33 -0.02 -0.22 0.41 0.00 0.00 173.24 173.61 3ddr s LEU 489 N -1.24 1.66 0.17 2.44 2.96 -0.46 -1.61 118.68 122.61 3ddr s LEU 489 Ca 0.17 -0.81 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3ddr s LEU 489 Cb -0.11 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 3ddr s LEU 489 CO 0.07 -0.24 -0.18 0.72 -1.32 0.00 0.00 176.35 175.40 3ddr s PHE 490 N 1.66 1.80 -0.24 5.38 -0.12 -0.81 -1.38 117.98 124.27 3ddr s PHE 490 Ca -0.01 -0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 3ddr s PHE 490 Cb -0.17 -0.89 0.13 0.00 -0.63 0.00 0.00 43.02 41.47 3ddr s PHE 490 CO -0.07 0.34 0.37 0.00 -0.05 0.00 0.00 175.22 175.81 3ddr s ALA 491 N -2.22 -1.06 -0.16 1.99 0.00 -0.75 -1.75 121.76 117.81 3ddr s ALA 491 Ca 0.17 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 3ddr s ALA 491 Cb -0.05 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 3ddr s ALA 491 CO 0.07 -1.23 -0.11 -0.80 0.00 0.00 0.00 175.76 173.68 3ddr s ASN 492 N 2.54 4.00 -0.41 0.00 -0.87 0.33 -2.79 114.94 117.74 3ddr s ASN 492 Ca 0.12 -0.38 -0.01 0.00 -1.57 0.00 0.00 52.86 51.02 3ddr s ASN 492 Cb -0.15 -1.64 0.11 0.00 -0.02 0.00 0.00 41.25 39.55 3ddr s ASN 492 CO -0.15 0.09 0.19 -0.22 -2.57 0.00 0.00 177.10 174.43 3ddr s LEU 493 N 0.81 5.10 0.45 0.60 2.96 0.53 0.37 118.68 129.49 3ddr s LEU 493 Ca -0.04 -2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 51.55 3ddr s LEU 493 Cb -0.15 -1.78 -0.08 0.00 0.50 0.00 0.00 46.19 44.69 3ddr s LEU 493 CO 0.01 -0.48 0.88 -0.89 -1.32 0.00 0.00 176.35 174.55 3ddr s THR 494 N 0.92 4.62 -0.19 3.68 2.01 -0.17 -1.22 115.64 125.29 3ddr s THR 494 Ca 0.10 1.01 -0.08 0.00 0.31 0.00 0.00 61.69 63.03 3ddr s THR 494 Cb -0.22 -3.70 0.08 0.00 0.01 0.00 0.00 72.50 68.68 3ddr s THR 494 CO -0.05 -0.54 0.43 -0.47 -0.69 0.00 0.00 174.62 173.30 3ddr s TYR 495 N -2.42 -0.76 0.20 4.92 5.04 0.72 -1.79 117.35 123.26 3ddr s TYR 495 Ca 0.56 1.48 0.07 0.00 -2.44 0.00 0.00 57.07 56.74 3ddr s TYR 495 Cb -0.10 0.31 -0.04 0.00 0.35 0.00 0.00 41.96 42.48 3ddr s TYR 495 CO 0.28 -0.45 0.08 -0.51 -1.34 0.00 0.00 175.55 173.62 3ddr s ASP 496 N 2.26 5.13 -0.08 4.32 1.11 0.86 -1.07 116.67 129.19 3ddr s ASP 496 Ca -0.04 -0.32 -0.03 0.00 0.18 0.00 0.00 52.55 52.34 3ddr s ASP 496 Cb -0.11 -1.21 0.05 0.00 1.07 0.00 0.00 42.92 42.72 3ddr s ASP 496 CO -0.13 0.04 0.16 -0.47 1.18 0.00 0.00 175.17 175.95 3ddr s TYR 497 N -1.91 -0.17 -0.98 4.23 6.14 -0.82 -2.41 117.35 121.43 3ddr s TYR 497 Ca 0.30 0.60 0.00 0.00 0.64 0.00 0.00 57.07 58.61 3ddr s TYR 497 Cb -0.09 -0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.03 3ddr s TYR 497 CO 0.22 -0.26 0.00 -0.25 0.64 0.00 0.00 175.55 175.89 3ddr n ASP 498 N 5.28 -3.09 0.00 4.32 9.92 -1.20 -0.70 116.55 131.08 3ddr n ASP 498 Ca -0.05 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3ddr n ASP 498 Cb 0.50 -2.76 0.00 0.00 -0.64 0.00 0.00 41.12 38.22 3ddr n ASP 498 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ddr n GLY 499 N -0.06 0.34 0.00 0.44 0.00 -1.26 -4.82 105.19 99.83 3ddr n GLY 499 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ddr n GLY 499 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ddr n TRP 500 N -2.58 0.00 -3.98 1.61 4.27 0.12 -4.82 117.44 112.05 3ddr n TRP 500 Ca 0.00 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.26 3ddr n TRP 500 Cb 0.17 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.06 3ddr n TRP 500 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3ddr s LEU 501 N -3.61 4.20 -0.15 5.67 2.96 -0.76 -1.08 118.68 125.91 3ddr s LEU 501 Ca 0.00 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3ddr s LEU 501 Cb 0.00 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.50 3ddr s LEU 501 CO 0.00 0.33 0.11 -0.89 -1.32 0.00 0.00 176.35 174.59 3ddr s THR 502 N -1.14 -0.15 -0.16 3.68 2.01 0.44 -1.94 115.64 118.39 3ddr s THR 502 Ca 0.20 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 3ddr s THR 502 Cb -0.12 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3ddr s THR 502 CO 0.10 -0.17 0.00 -0.76 -0.69 0.00 0.00 174.62 173.10 3ddr s LEU 503 N 2.19 3.50 -0.14 4.42 1.02 -0.23 -1.42 118.68 128.01 3ddr s LEU 503 Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 3ddr s LEU 503 Cb -0.15 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.25 3ddr s LEU 503 CO -0.08 0.18 0.01 -0.70 0.02 0.00 0.00 176.35 175.78 3ddr s GLU 504 N 0.29 0.78 0.24 1.70 2.12 -0.75 -0.20 118.70 122.88 3ddr s GLU 504 Ca -0.00 -0.25 0.10 0.00 0.36 0.00 0.00 54.97 55.18 3ddr s GLU 504 Cb -0.13 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 3ddr s GLU 504 CO 0.02 -0.48 -0.10 0.20 -0.54 0.00 0.00 175.26 174.36 3ddr s GLY 505 N 1.86 1.73 -0.07 -1.50 0.00 -0.36 -0.90 107.32 108.08 3ddr s GLY 505 Ca 0.02 -1.65 -0.32 0.00 0.00 0.00 0.00 44.72 42.77 3ddr s GLY 505 CO -0.07 -1.70 1.30 -0.32 0.00 0.00 0.00 173.10 172.30 3ddr s GLY 506 N -3.29 -0.39 -0.17 0.20 0.00 -0.90 -0.35 107.32 102.42 3ddr s GLY 506 Ca 0.28 0.96 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 3ddr s GLY 506 CO 0.16 0.23 1.05 0.48 0.00 0.00 0.00 173.10 175.02 3ddr s LEU 507 N -2.78 -0.31 0.06 0.66 0.05 -1.12 -2.02 118.68 113.21 3ddr s LEU 507 Ca 0.13 0.31 0.07 0.00 0.05 0.00 0.00 54.13 54.69 3ddr s LEU 507 Cb 0.04 1.74 -0.03 0.00 -2.05 0.00 0.00 46.19 45.89 3ddr s LEU 507 CO -0.04 -0.31 -0.19 -0.60 -0.55 0.00 0.00 176.35 174.65 3ddr s ARG 508 N -1.28 1.22 -0.08 1.48 3.52 0.06 -1.80 118.95 122.06 3ddr s ARG 508 Ca 0.01 -0.97 0.04 0.00 -0.13 0.00 0.00 55.73 54.68 3ddr s ARG 508 Cb -0.01 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 32.02 3ddr s ARG 508 CO -0.01 0.33 -0.19 -0.47 -0.81 0.00 0.00 175.30 174.15 3ddr s TYR 509 N -0.92 2.61 0.22 5.12 6.14 -0.48 -0.01 117.35 130.03 3ddr s TYR 509 Ca 0.06 -0.63 0.11 0.00 0.64 0.00 0.00 57.07 57.25 3ddr s TYR 509 Cb -0.09 -1.69 -0.05 0.00 0.42 0.00 0.00 41.96 40.56 3ddr s TYR 509 CO 0.02 -0.16 -0.22 -0.51 0.64 0.00 0.00 175.55 175.32 3ddr s ASP 510 N -0.07 3.37 -0.21 4.32 1.01 -0.08 -1.36 116.67 123.65 3ddr s ASP 510 Ca -0.05 -0.93 -0.05 0.00 0.71 0.00 0.00 52.55 52.24 3ddr s ASP 510 Cb -0.14 -0.25 0.11 0.00 1.01 0.00 0.00 42.92 43.64 3ddr s ASP 510 CO 0.04 0.07 0.37 -0.60 0.21 0.00 0.00 175.17 175.26 3ddr s ARG 511 N -2.99 0.30 0.23 8.23 3.52 -0.81 -2.26 118.95 125.18 3ddr s ARG 511 Ca 0.23 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.59 3ddr s ARG 511 Cb -0.06 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 3ddr s ARG 511 CO 0.11 -0.45 0.38 1.52 -0.81 0.00 0.00 175.30 176.04 3ddr s TYR 512 N 2.54 3.47 -0.16 5.12 -0.00 -0.97 -1.61 117.35 125.74 3ddr s TYR 512 Ca 0.06 0.11 -0.04 0.00 -0.00 0.00 0.00 57.07 57.19 3ddr s TYR 512 Cb -0.14 -1.67 0.07 0.00 -0.00 0.00 0.00 41.96 40.22 3ddr s TYR 512 CO -0.13 0.40 0.18 0.50 -0.00 0.00 0.00 175.55 176.49 3ddr s ARG 513 N -3.80 0.12 -0.21 -3.49 3.52 -0.26 -3.41 118.95 111.43 3ddr s ARG 513 Ca 0.36 0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3ddr s ARG 513 Cb -0.10 -1.09 -0.05 0.00 -1.56 0.00 0.00 34.95 32.15 3ddr s ARG 513 CO 0.30 -0.56 0.11 -1.17 -0.81 0.00 0.00 175.30 173.17 3ddr s LEU 514 N 2.28 4.02 -0.02 -0.88 2.96 -0.32 -1.97 118.68 124.75 3ddr s LEU 514 Ca 0.05 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3ddr s LEU 514 Cb -0.15 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3ddr s LEU 514 CO -0.10 0.14 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.88 3ddr s ARG 515 N 0.60 0.59 0.00 1.98 0.52 0.11 -1.83 118.95 120.93 3ddr s ARG 515 Ca 0.06 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 3ddr s ARG 515 Cb -0.12 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.76 3ddr s ARG 515 CO 0.01 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.81 3ddr n GLY 516 N 3.23 1.67 3.91 -3.53 0.00 -0.81 -0.57 105.19 109.09 3ddr n GLY 516 Ca -0.17 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3ddr n GLY 516 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddr s GLN 517 N -2.00 3.48 0.06 1.61 1.11 -1.26 -1.41 119.66 121.24 3ddr s GLN 517 Ca 0.00 -0.34 -0.27 0.00 0.01 0.00 0.00 55.36 54.77 3ddr s GLN 517 Cb 0.00 -3.03 0.09 0.00 -1.01 0.00 0.00 33.01 29.06 3ddr s GLN 517 CO 0.00 0.61 0.78 -0.08 0.01 0.00 0.00 175.29 176.60 3ddr s THR 518 N -1.48 0.00 0.18 -0.19 -1.32 -1.12 -4.95 115.64 106.77 3ddr s THR 518 Ca 0.34 -0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.60 3ddr s THR 518 Cb -0.13 -1.01 0.06 0.00 -1.51 0.00 0.00 72.50 69.91 3ddr s THR 518 CO 0.25 0.00 0.59 -0.83 -2.21 0.00 0.00 174.62 172.41 3ddr s GLY 519 N -2.59 -0.46 -0.09 6.08 0.00 -1.26 -1.29 107.32 107.71 3ddr s GLY 519 Ca 0.03 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.93 3ddr s GLY 519 CO -0.10 0.03 0.23 -2.27 0.00 0.00 0.00 173.10 170.99 3ddr s LEU 520 N -2.79 1.11 -0.05 0.66 2.96 0.35 -4.85 118.68 116.06 3ddr s LEU 520 Ca 0.03 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 3ddr s LEU 520 Cb -0.01 0.79 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 3ddr s LEU 520 CO -0.09 -0.08 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.22 3ddr s SER 521 N 0.13 3.56 0.08 3.68 0.01 -1.26 -0.40 113.70 119.50 3ddr s SER 521 Ca -0.00 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3ddr s SER 521 Cb -0.02 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 3ddr s SER 521 CO 0.00 0.30 -0.05 -0.72 0.41 0.00 0.00 173.24 173.18 3ddr s TYR 522 N -0.47 0.76 0.26 2.43 1.13 -0.40 -4.97 117.35 116.08 3ddr s TYR 522 Ca 0.06 -0.98 -0.30 0.00 -1.41 0.00 0.00 57.07 54.44 3ddr s TYR 522 Cb -0.12 -0.47 -0.09 0.00 -1.10 0.00 0.00 41.96 40.18 3ddr s TYR 522 CO 0.01 -0.24 1.22 -2.14 -2.51 0.00 0.00 175.55 171.89 3ddr s PRO 523 N -3.87 4.48 -0.08 -3.49 0.02 -1.26 -1.36 135.00 129.45 3ddr s PRO 523 Ca 0.11 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 62.97 3ddr s PRO 523 Cb 0.06 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.44 3ddr s PRO 523 CO -0.06 -0.06 0.33 0.34 -0.33 0.00 0.00 177.00 177.22 3ddr s ASP 524 N -0.30 -0.28 -0.63 2.53 2.15 -1.00 -1.55 116.67 117.59 3ddr s ASP 524 Ca 0.50 0.42 -0.20 0.00 0.43 0.00 0.00 52.55 53.70 3ddr s ASP 524 Cb -0.35 0.53 0.10 0.00 -0.30 0.00 0.00 42.92 42.89 3ddr s ASP 524 CO 0.43 -0.27 0.80 -0.76 -0.17 0.00 0.00 175.17 175.20 3ddr s LEU 525 N -0.51 5.09 0.21 -1.34 1.43 -1.26 -1.66 118.68 120.64 3ddr s LEU 525 Ca -0.06 -1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 51.47 3ddr s LEU 525 Cb -0.04 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.91 3ddr s LEU 525 CO 0.02 -1.21 0.94 0.00 0.23 0.00 0.00 176.35 176.34 3ddr s ALA 526 N 3.07 -1.46 0.00 4.21 0.00 -1.21 -0.19 121.76 126.18 3ddr s ALA 526 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3ddr s ALA 526 Cb -0.21 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3ddr s ALA 526 CO 0.06 -1.04 0.00 1.17 0.00 0.00 0.00 175.76 175.95 3ddr n LYS 527 N -0.56 0.00 -1.54 0.00 4.81 0.11 -4.53 118.16 116.45 3ddr n LYS 527 Ca -0.05 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.98 3ddr n LYS 527 Cb 0.60 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.64 3ddr n LYS 527 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ddr n ASP 528 N 0.00 4.38 -1.18 3.14 8.00 -1.26 -4.16 116.55 125.47 3ddr n ASP 528 Ca 0.00 -2.76 -0.15 0.00 0.71 0.00 0.00 54.79 52.59 3ddr n ASP 528 Cb 0.00 -1.54 -0.07 0.00 -0.02 0.00 0.00 41.12 39.50 3ddr n ASP 528 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 529 N 4.08 1.49 3.33 0.44 0.00 -1.26 -4.97 105.19 108.30 3ddr n GLY 529 Ca 0.55 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 3ddr n GLY 529 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddr s GLN 530 N -3.28 3.37 -0.07 1.61 -1.52 -1.26 -5.11 119.66 113.41 3ddr s GLN 530 Ca 0.00 -0.65 -0.23 0.00 -1.95 0.00 0.00 55.36 52.53 3ddr s GLN 530 Cb 0.00 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.91 3ddr s GLN 530 CO 0.00 -0.02 0.66 0.50 -0.25 0.00 0.00 175.29 176.18 3ddr s ARG 531 N 0.99 4.42 -0.65 2.91 3.52 -1.26 0.07 118.95 128.95 3ddr s ARG 531 Ca -0.01 0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 56.14 3ddr s ARG 531 Cb -0.15 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3ddr s ARG 531 CO -0.01 0.09 1.89 0.71 -0.81 0.00 0.00 175.30 177.17 3ddr s TYR 532 N 0.75 1.66 0.47 5.12 2.02 0.74 -4.83 117.35 123.27 3ddr s TYR 532 Ca 0.36 0.79 0.03 0.00 -0.37 0.00 0.00 57.07 57.88 3ddr s TYR 532 Cb -0.17 -4.07 -0.03 0.00 -0.40 0.00 0.00 41.96 37.29 3ddr s TYR 532 CO 0.17 -2.24 0.02 -0.08 -1.57 0.00 0.00 175.55 171.85 3ddr s THR 533 N 9.31 1.33 0.47 -0.71 -1.32 -0.99 -1.44 115.64 122.29 3ddr s THR 533 Ca 0.68 -2.00 0.37 0.00 -1.21 0.00 0.00 61.69 59.53 3ddr s THR 533 Cb -0.12 -2.42 0.56 0.00 -1.51 0.00 0.00 72.50 69.01 3ddr s THR 533 CO 0.18 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 174.15 3ddr n ILE 534 N -1.14 -0.19 -0.40 5.08 0.13 -1.26 0.96 119.36 122.55 3ddr n ILE 534 Ca -0.14 1.72 0.09 0.00 -1.10 0.00 0.00 62.75 63.33 3ddr n ILE 534 Cb 0.67 -2.83 0.28 0.00 -0.84 0.00 0.00 39.64 36.92 3ddr n ILE 534 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3ddr n ASP 535 N -4.52 3.84 -2.78 9.51 5.75 -1.26 -4.55 116.55 122.55 3ddr n ASP 535 Ca 0.41 -2.13 -0.09 0.00 -0.01 0.00 0.00 54.79 52.97 3ddr n ASP 535 Cb 1.68 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 41.37 3ddr n ASP 535 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ddr n ASN 536 N 1.14 -2.70 -4.84 -1.12 5.15 0.27 -5.16 115.26 108.00 3ddr n ASN 536 Ca 0.21 -3.26 -0.32 0.00 -0.60 0.00 0.00 54.58 50.61 3ddr n ASN 536 Cb 0.64 1.66 -0.02 0.00 -0.53 0.00 0.00 39.78 41.52 3ddr n ASN 536 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3ddr s PRO 537 N 0.57 3.85 0.06 1.20 0.02 -1.07 -2.35 135.00 137.27 3ddr s PRO 537 Ca 0.32 0.95 -0.34 0.00 0.02 0.00 0.00 61.00 61.95 3ddr s PRO 537 Cb 0.22 -2.12 -0.19 0.00 0.02 0.00 0.00 34.50 32.43 3ddr s PRO 537 CO -0.24 -0.36 1.57 0.00 -0.33 0.00 0.00 177.00 177.65 3ddr n LYS 539 N -5.54 0.00 -1.06 0.00 4.01 -1.12 -5.00 118.16 109.45 3ddr n LYS 539 Ca -0.15 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.37 3ddr n LYS 539 Cb 0.43 -0.12 0.19 0.00 -0.51 0.00 0.00 35.03 35.01 3ddr n LYS 539 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ddr s ALA 540 N -2.08 0.74 -0.12 7.82 0.00 -1.24 -4.49 121.76 122.39 3ddr s ALA 540 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 3ddr s ALA 540 Cb 0.00 -3.14 -0.26 0.00 0.00 0.00 0.00 23.12 19.72 3ddr s ALA 540 CO 0.00 -2.99 0.50 1.25 0.00 0.00 0.00 175.76 174.52 3ddr h LEU 541 N -2.01 0.33-10.17 0.00 5.85 -1.80 -3.41 115.31 104.10 3ddr h LEU 541 Ca -0.55 -0.82 -0.47 0.00 0.84 0.00 0.00 57.88 56.87 3ddr h LEU 541 Cb 1.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3ddr h LEU 541 CO 0.56 1.61 -0.39 -0.13 -0.34 0.00 0.00 178.44 179.75 3ddr s ARG 542 N -2.46 2.80 0.29 1.25 3.00 -1.26 -4.83 118.95 117.74 3ddr s ARG 542 Ca -0.21 -1.26 0.12 0.00 0.00 0.00 0.00 55.73 54.37 3ddr s ARG 542 Cb 0.05 -2.57 0.43 0.00 0.00 0.00 0.00 34.95 32.85 3ddr s ARG 542 CO 0.74 0.01 1.64 -0.07 0.00 0.00 0.00 175.30 177.62 3ddr h LEU 543 N 1.07 0.00 -1.98 2.53 3.38 -1.94 -3.22 115.31 115.14 3ddr h LEU 543 Ca -0.44 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ddr h LEU 543 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3ddr h LEU 543 CO 0.56 0.57 0.15 0.71 0.09 0.00 0.00 178.44 180.51 3ddr h THR 544 N 0.00 0.91 -0.28 0.22 1.35 -1.96 0.53 112.91 113.67 3ddr h THR 544 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3ddr h THR 544 Cb 1.04 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3ddr h THR 544 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3ddr n GLY 545 N -1.57 1.60 0.00 5.82 0.00 -1.21 -3.82 105.19 106.01 3ddr n GLY 545 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ddr n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddr s SER 547 N -1.02 5.43 0.09 0.00 1.04 -0.92 -3.33 113.70 114.99 3ddr s SER 547 Ca 0.00 -0.58 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 3ddr s SER 547 Cb 0.00 -0.29 0.09 0.00 0.10 0.00 0.00 66.02 65.92 3ddr s SER 547 CO 0.00 -0.99 1.12 -0.89 0.98 0.00 0.00 173.24 173.46 3ddr s THR 548 N -2.48 0.00 -0.12 2.02 2.01 -0.66 -4.80 115.64 111.60 3ddr s THR 548 Ca 0.58 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 3ddr s THR 548 Cb -0.08 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3ddr s THR 548 CO 0.35 0.00 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.30 3ddr s THR 549 N -2.62 3.43 -0.17 -0.82 2.01 -1.26 -2.39 115.64 113.83 3ddr s THR 549 Ca 0.17 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 3ddr s THR 549 Cb 0.01 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 3ddr s THR 549 CO 0.01 0.53 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.56 3ddr s THR 550 N 0.09 3.97 -0.16 -0.82 2.01 -0.46 -4.96 115.64 115.31 3ddr s THR 550 Ca -0.03 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 3ddr s THR 550 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 3ddr s THR 550 CO 0.04 0.47 0.04 -0.60 -0.69 0.00 0.00 174.62 173.88 3ddr s ARG 551 N 0.55 3.78 -0.14 4.92 6.06 -1.26 -1.28 118.95 131.58 3ddr s ARG 551 Ca -0.02 -0.37 -0.01 0.00 -2.50 0.00 0.00 55.73 52.83 3ddr s ARG 551 Cb -0.14 -3.11 -0.02 0.00 0.06 0.00 0.00 34.95 31.74 3ddr s ARG 551 CO 0.02 0.35 -0.11 -2.00 -2.50 0.00 0.00 175.30 171.06 3ddr s GLU 552 N 0.14 3.43 -0.23 5.12 2.12 0.46 -4.98 118.70 124.76 3ddr s GLU 552 Ca 0.04 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.73 3ddr s GLU 552 Cb -0.12 -2.70 0.05 0.00 0.26 0.00 0.00 34.13 31.61 3ddr s GLU 552 CO 0.01 0.19 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.28 3ddr s ASP 553 N 0.43 3.97 -0.11 -1.70 1.01 -1.26 -0.50 116.67 118.51 3ddr s ASP 553 Ca -0.09 -1.14 -0.15 0.00 0.71 0.00 0.00 52.55 51.89 3ddr s ASP 553 Cb -0.15 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 3ddr s ASP 553 CO 0.04 -0.14 0.36 0.26 0.21 0.00 0.00 175.17 175.90 3ddr s TRP 554 N 1.20 3.55 -0.87 4.23 0.52 -0.42 -5.01 118.94 122.14 3ddr s TRP 554 Ca -0.04 0.76 -0.14 0.00 0.02 0.00 0.00 56.10 56.70 3ddr s TRP 554 Cb -0.18 -2.35 0.22 0.00 -1.15 0.00 0.00 33.47 30.01 3ddr s TRP 554 CO -0.07 0.35 0.84 0.34 0.02 0.00 0.00 176.95 178.43 3ddr s ASP 555 N 0.02 6.82 0.14 2.95 2.15 -1.26 -2.77 116.67 124.72 3ddr s ASP 555 Ca 0.20 -2.74 -0.30 0.00 0.43 0.00 0.00 52.55 50.14 3ddr s ASP 555 Cb -0.14 -2.23 -0.07 0.00 -0.30 0.00 0.00 42.92 40.18 3ddr s ASP 555 CO 0.08 -0.58 1.19 -0.69 -0.17 0.00 0.00 175.17 174.99 3ddr s VAL 556 N 0.23 3.75 -0.45 1.11 1.01 -0.50 -4.95 120.40 120.60 3ddr s VAL 556 Ca 0.21 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.61 3ddr s VAL 556 Cb -0.10 -3.89 0.22 0.00 0.00 0.00 0.00 36.38 32.61 3ddr s VAL 556 CO -0.09 0.19 0.92 -0.67 0.00 0.00 0.00 175.10 175.45 3ddr n ASP 557 N 2.96 -2.58 -4.51 3.32 -0.08 -1.23 -1.93 116.55 112.50 3ddr n ASP 557 Ca 0.06 -2.42 -0.27 0.00 -1.51 0.00 0.00 54.79 50.64 3ddr n ASP 557 Cb 0.45 1.41 -0.10 0.00 2.34 0.00 0.00 41.12 45.22 3ddr n ASP 557 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ddr s ARG 558 N 0.75 1.85 -0.17 -0.67 1.70 -0.76 -4.95 118.95 116.69 3ddr s ARG 558 Ca 0.29 -1.34 -0.07 0.00 -0.47 0.00 0.00 55.73 54.14 3ddr s ARG 558 Cb 0.12 -2.05 0.08 0.00 -0.57 0.00 0.00 34.95 32.52 3ddr s ARG 558 CO -0.12 0.43 0.38 0.16 -1.08 0.00 0.00 175.30 175.07 3ddr s ASP 559 N -2.67 -0.20 0.31 -2.89 1.47 -1.26 -1.18 116.67 110.25 3ddr s ASP 559 Ca 0.22 0.88 0.08 0.00 1.18 0.00 0.00 52.55 54.91 3ddr s ASP 559 Cb -0.09 1.06 -0.06 0.00 -0.34 0.00 0.00 42.92 43.49 3ddr s ASP 559 CO 0.13 -0.22 -0.07 -1.10 0.68 0.00 0.00 175.17 174.59 3ddr s GLN 560 N 2.24 1.66 -0.04 2.11 -0.21 -1.22 -4.98 119.66 119.23 3ddr s GLN 560 Ca -0.03 -1.85 0.04 0.00 0.02 0.00 0.00 55.36 53.54 3ddr s GLN 560 Cb -0.11 -1.36 -0.00 0.00 1.00 0.00 0.00 33.01 32.54 3ddr s GLN 560 CO -0.12 0.07 -0.15 0.20 -2.12 0.00 0.00 175.29 173.17 3ddr s GLY 561 N -3.51 0.80 0.19 3.09 0.00 -1.26 -2.29 107.32 104.34 3ddr s GLY 561 Ca 0.31 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.53 3ddr s GLY 561 CO 0.14 -0.28 -0.16 1.25 0.00 0.00 0.00 173.10 174.05 3ddr s LYS 562 N 0.07 1.31 -0.12 2.90 2.47 -0.96 -4.96 119.74 120.44 3ddr s LYS 562 Ca -0.03 -1.52 0.03 0.00 -1.56 0.00 0.00 55.97 52.89 3ddr s LYS 562 Cb -0.10 -1.21 0.01 0.00 -1.46 0.00 0.00 37.83 35.07 3ddr s LYS 562 CO 0.01 0.22 -0.22 -1.17 0.16 0.00 0.00 175.35 174.36 3ddr s LEU 563 N -3.05 2.05 -0.12 5.43 2.96 -1.26 -0.90 118.68 123.79 3ddr s LEU 563 Ca 0.20 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3ddr s LEU 563 Cb -0.03 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.31 3ddr s LEU 563 CO 0.07 0.10 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.69 3ddr s SER 564 N 0.69 2.29 0.43 3.68 0.01 0.99 -4.98 113.70 116.81 3ddr s SER 564 Ca -0.11 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3ddr s SER 564 Cb -0.16 -0.82 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 3ddr s SER 564 CO 0.01 -0.14 0.77 -2.84 0.41 0.00 0.00 173.24 171.46 3ddr s PRO 565 N 1.71 3.68 0.03 12.44 0.02 -1.26 -0.76 135.00 150.87 3ddr s PRO 565 Ca 0.04 0.36 0.03 0.00 0.02 0.00 0.00 61.00 61.45 3ddr s PRO 565 Cb -0.13 -2.39 -0.02 0.00 0.02 0.00 0.00 34.50 31.98 3ddr s PRO 565 CO -0.08 -0.10 -0.09 0.95 -0.33 0.00 0.00 177.00 177.35 3ddr s THR 566 N -2.51 0.68 0.04 0.99 -4.23 -0.86 -1.96 115.64 107.79 3ddr s THR 566 Ca 0.50 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 3ddr s THR 566 Cb -0.10 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.07 3ddr s THR 566 CO 0.37 -0.19 0.24 -0.76 -0.54 0.00 0.00 174.62 173.74 3ddr s LEU 567 N -1.21 1.16 -0.01 4.79 1.02 0.13 -2.12 118.68 122.44 3ddr s LEU 567 Ca -0.05 -0.26 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 3ddr s LEU 567 Cb -0.08 1.11 0.07 0.00 0.02 0.00 0.00 46.19 47.32 3ddr s LEU 567 CO 0.01 -0.56 0.66 0.00 0.02 0.00 0.00 176.35 176.48 3ddr s ALA 568 N -2.42 -1.73 -0.01 4.21 0.00 -0.08 -1.46 121.76 120.27 3ddr s ALA 568 Ca -0.06 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 3ddr s ALA 568 Cb -0.02 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3ddr s ALA 568 CO -0.03 -0.45 0.02 0.08 0.00 0.00 0.00 175.76 175.39 3ddr s VAL 569 N -1.69 -0.03 -0.00 0.00 1.01 0.09 -1.81 120.40 117.97 3ddr s VAL 569 Ca -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3ddr s VAL 569 Cb -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3ddr s VAL 569 CO 0.05 0.04 0.05 0.00 0.00 0.00 0.00 175.10 175.24 3ddr s ALA 570 N 0.51 -0.10 -0.09 5.51 0.00 -0.51 -0.36 121.76 126.73 3ddr s ALA 570 Ca -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3ddr s ALA 570 Cb -0.06 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.13 3ddr s ALA 570 CO -0.01 -0.11 0.20 0.14 0.00 0.00 0.00 175.76 175.97 3ddr s VAL 571 N -0.80 -0.04 -0.17 0.00 -7.23 0.77 -0.42 120.40 112.51 3ddr s VAL 571 Ca -0.09 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 3ddr s VAL 571 Cb -0.05 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 3ddr s VAL 571 CO 0.00 0.06 1.67 -0.13 -0.31 0.00 0.00 175.10 176.39 3ddr s ARG 572 N 1.11 3.85 0.04 4.82 1.81 -0.24 -0.70 118.95 129.64 3ddr s ARG 572 Ca -0.08 1.83 -0.31 0.00 -1.72 0.00 0.00 55.73 55.45 3ddr s ARG 572 Cb -0.10 -4.05 -0.17 0.00 -0.45 0.00 0.00 34.95 30.18 3ddr s ARG 572 CO -0.07 -1.23 1.33 -1.35 -0.68 0.00 0.00 175.30 173.30 3ddr h PRO 573 N 10.71 -1.09 0.00 3.54 0.11 -1.88 -3.43 132.00 139.96 3ddr h PRO 573 Ca -0.36 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ddr h PRO 573 Cb 1.17 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3ddr h PRO 573 CO 0.99 -0.72 -0.21 0.41 -0.21 0.00 0.00 178.00 178.25 3ddr n GLY 574 N -1.16 0.00 3.80 -0.55 0.00 -1.26 -5.11 105.19 100.90 3ddr n GLY 574 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3ddr n GLY 574 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s VAL 575 N -1.21 4.38 -1.07 1.61 0.11 -1.26 -4.99 120.40 117.96 3ddr s VAL 575 Ca 0.00 -1.30 0.27 0.00 -2.93 0.00 0.00 61.98 58.02 3ddr s VAL 575 Cb 0.00 -3.30 0.27 0.00 -1.53 0.00 0.00 36.38 31.81 3ddr s VAL 575 CO 0.00 -0.24 1.88 -0.62 -3.33 0.00 0.00 175.10 172.79 3ddr n GLU 576 N -0.77 0.06 -0.23 1.54 1.02 -1.26 -3.47 120.64 117.53 3ddr n GLU 576 Ca -0.08 0.03 0.24 0.00 -0.02 0.00 0.00 57.16 57.33 3ddr n GLU 576 Cb 0.56 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.09 3ddr n GLU 576 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3ddr h TRP 577 N 0.00 0.33 -3.06 -0.32 2.91 -1.95 -3.43 115.95 110.44 3ddr h TRP 577 Ca 0.00 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.90 3ddr h TRP 577 Cb 0.43 -0.10 -0.22 0.00 -0.51 0.00 0.00 29.16 28.76 3ddr h TRP 577 CO 0.00 0.07 -0.33 -1.17 -1.03 0.00 0.00 178.44 175.98 3ddr s LEU 578 N -9.08 0.91 -0.08 0.65 2.96 -1.23 -3.16 118.68 109.66 3ddr s LEU 578 Ca -0.07 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.12 3ddr s LEU 578 Cb 0.23 1.12 0.02 0.00 0.50 0.00 0.00 46.19 48.06 3ddr s LEU 578 CO 0.78 -0.30 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.78 3ddr s GLU 579 N -0.71 0.94 -0.13 1.98 2.12 -0.79 -3.80 118.70 118.30 3ddr s GLU 579 Ca -0.08 -0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 3ddr s GLU 579 Cb -0.04 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 3ddr s GLU 579 CO 0.02 -0.23 0.13 -0.51 -0.54 0.00 0.00 175.26 174.14 3ddr s LEU 580 N 1.60 4.32 0.12 2.70 1.43 0.13 -1.38 118.68 127.60 3ddr s LEU 580 Ca 0.00 0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3ddr s LEU 580 Cb -0.13 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 3ddr s LEU 580 CO -0.04 0.36 0.16 -0.72 0.23 0.00 0.00 176.35 176.34 3ddr s TYR 581 N -0.75 0.44 -0.25 0.29 -0.85 -0.28 -0.16 117.35 115.80 3ddr s TYR 581 Ca 0.13 -0.85 -0.12 0.00 -0.52 0.00 0.00 57.07 55.71 3ddr s TYR 581 Cb -0.12 -0.19 0.09 0.00 0.38 0.00 0.00 41.96 42.11 3ddr s TYR 581 CO 0.03 -0.58 0.58 0.99 -1.52 0.00 0.00 175.55 175.05 3ddr s THR 582 N -3.95 -0.28 -0.06 -3.49 2.01 0.52 -2.35 115.64 108.04 3ddr s THR 582 Ca 0.14 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.20 3ddr s THR 582 Cb 0.05 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.71 3ddr s THR 582 CO -0.04 0.02 -0.11 0.42 -0.69 0.00 0.00 174.62 174.21 3ddr s THR 583 N 1.95 1.05 0.14 -0.82 -4.23 -0.77 -0.73 115.64 112.23 3ddr s THR 583 Ca -0.08 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.08 3ddr s THR 583 Cb -0.08 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 3ddr s THR 583 CO -0.17 0.33 -0.18 -0.47 -0.54 0.00 0.00 174.62 173.60 3ddr s TYR 584 N 0.61 2.51 -0.27 3.99 6.14 -0.53 -0.02 117.35 129.78 3ddr s TYR 584 Ca -0.13 -0.27 -0.27 0.00 0.64 0.00 0.00 57.07 57.04 3ddr s TYR 584 Cb -0.15 -1.30 0.17 0.00 0.42 0.00 0.00 41.96 41.10 3ddr s TYR 584 CO 0.03 0.42 1.30 0.20 0.64 0.00 0.00 175.55 178.15 3ddr s GLY 585 N -2.35 0.12 0.33 8.97 0.00 -0.60 0.20 107.32 113.98 3ddr s GLY 585 Ca 0.19 2.98 0.06 0.00 0.00 0.00 0.00 44.72 47.96 3ddr s GLY 585 CO 0.11 1.53 0.46 0.54 0.00 0.00 0.00 173.10 175.74 3ddr s LYS 586 N -0.45 3.15 0.00 2.90 1.02 -0.83 -0.71 119.74 124.82 3ddr s LYS 586 Ca 0.06 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.06 3ddr s LYS 586 Cb -0.03 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3ddr s LYS 586 CO -0.09 0.10 0.00 0.45 -0.92 0.00 0.00 175.35 174.88 3ddr n SER 587 N -1.62 0.00 -3.38 2.83 2.88 -0.93 -4.46 113.62 108.94 3ddr n SER 587 Ca -0.01 -0.79 0.02 0.00 -1.33 0.00 0.00 58.87 56.76 3ddr n SER 587 Cb 0.58 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 3ddr n SER 587 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3ddr s TRP 588 N -5.74 -0.39 -0.19 0.66 -0.00 -1.26 -1.41 118.94 110.61 3ddr s TRP 588 Ca 0.00 0.69 -0.01 0.00 -0.00 0.00 0.00 56.10 56.78 3ddr s TRP 588 Cb 0.00 0.23 0.05 0.00 -0.00 0.00 0.00 33.47 33.76 3ddr s TRP 588 CO 0.00 -0.19 -0.01 0.50 -0.00 0.00 0.00 176.95 177.25 3ddr s ARG 589 N 2.02 1.09 0.99 5.86 3.52 -0.33 -4.34 118.95 127.76 3ddr s ARG 589 Ca -0.03 -0.58 -0.12 0.00 -0.13 0.00 0.00 55.73 54.87 3ddr s ARG 589 Cb -0.03 -2.18 0.19 0.00 -1.56 0.00 0.00 34.95 31.36 3ddr s ARG 589 CO -0.16 -0.57 1.08 -2.14 -0.81 0.00 0.00 175.30 172.70 3ddr s PRO 590 N 1.68 0.45 0.41 5.12 0.02 -1.26 -1.89 135.00 139.53 3ddr s PRO 590 Ca -0.02 0.80 -0.25 0.00 0.02 0.00 0.00 61.00 61.55 3ddr s PRO 590 Cb -0.17 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3ddr s PRO 590 CO -0.07 -2.79 1.20 -2.14 -0.33 0.00 0.00 177.00 172.87 3ddr s PRO 591 N -4.80 3.98 0.83 5.54 0.02 -1.26 -4.88 135.00 134.43 3ddr s PRO 591 Ca 0.65 1.90 -0.11 0.00 0.02 0.00 0.00 61.00 63.47 3ddr s PRO 591 Cb -0.20 -2.65 0.09 0.00 0.02 0.00 0.00 34.50 31.77 3ddr s PRO 591 CO 0.59 -0.40 1.10 0.00 -0.33 0.00 0.00 177.00 177.96 3ddr s ALA 592 N -1.40 1.90 0.14 -1.55 0.00 -1.26 -4.96 121.76 114.63 3ddr s ALA 592 Ca 0.58 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 3ddr s ALA 592 Cb -0.32 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.50 3ddr s ALA 592 CO 0.40 -2.15 1.68 0.82 0.00 0.00 0.00 175.76 176.51 3ddr h ILE 593 N -1.41 0.68 0.05 0.00 5.03 -1.96 -3.01 117.51 116.89 3ddr h ILE 593 Ca -0.45 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.29 3ddr h ILE 593 Cb 1.25 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 3ddr h ILE 593 CO 0.49 0.00 -0.02 0.74 -0.68 0.00 0.00 178.15 178.68 3ddr h THR 594 N -0.06 1.15 0.00 -0.27 2.02 -1.93 -1.43 112.91 112.38 3ddr h THR 594 Ca 0.12 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3ddr h THR 594 Cb 0.24 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3ddr h THR 594 CO -0.27 0.16 0.00 -1.84 0.37 0.00 0.00 175.52 173.94 3ddr n GLU 595 N -4.99 0.18 -0.07 6.66 0.28 -1.22 -1.42 120.64 120.06 3ddr n GLU 595 Ca -0.08 0.16 -0.08 0.00 -0.16 0.00 0.00 57.16 57.00 3ddr n GLU 595 Cb 0.17 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.43 3ddr n GLU 595 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3ddr n THR 596 N -1.24 0.99 0.12 3.84 -1.04 -0.91 -3.93 114.28 112.11 3ddr n THR 596 Ca 0.05 -0.59 0.01 0.00 -2.04 0.00 0.00 64.05 61.49 3ddr n THR 596 Cb 0.07 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3ddr n THR 596 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ddr n LEU 597 N -2.59 0.94 -4.67 -4.42 4.77 -0.59 -2.87 117.00 107.58 3ddr n LEU 597 Ca -0.24 -0.86 -0.46 0.00 -0.03 0.00 0.00 56.01 54.41 3ddr n LEU 597 Cb 0.95 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.00 3ddr n LEU 597 CO 0.29 0.21 1.18 1.07 -1.33 0.00 0.00 177.39 178.81 3ddr n THR 598 N -0.17 0.02 -3.21 -5.08 5.66 -0.51 -4.70 114.28 106.29 3ddr n THR 598 Ca 0.01 -0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.02 3ddr n THR 598 Cb 0.06 -1.51 -0.01 0.00 -1.55 0.00 0.00 70.33 67.33 3ddr n THR 598 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ddr s ASN 599 N 0.88 -1.50 0.00 1.09 2.20 0.13 -0.73 114.94 117.00 3ddr s ASN 599 Ca 0.79 -0.67 0.00 0.00 -0.94 0.00 0.00 52.86 52.04 3ddr s ASN 599 Cb -0.69 1.95 0.00 0.00 -2.00 0.00 0.00 41.25 40.51 3ddr s ASN 599 CO 0.38 -0.19 0.00 0.61 -2.94 0.00 0.00 177.10 174.96 3ddr n GLY 600 N 4.55 -1.10 3.38 0.45 0.00 -0.93 -3.84 105.19 107.69 3ddr n GLY 600 Ca 0.10 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3ddr n GLY 600 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ddr s SER 601 N -4.00 -0.42 0.15 1.61 1.04 -1.26 -0.08 113.70 110.75 3ddr s SER 601 Ca 0.00 0.39 0.25 0.00 0.48 0.00 0.00 55.95 57.07 3ddr s SER 601 Cb 0.00 0.42 0.57 0.00 0.10 0.00 0.00 66.02 67.11 3ddr s SER 601 CO 0.00 -0.53 1.53 0.00 0.98 0.00 0.00 173.24 175.22 3ddr n ALA 602 N 1.07 2.65 -3.61 5.32 0.00 -1.26 -4.46 120.51 120.22 3ddr n ALA 602 Ca -0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 3ddr n ALA 602 Cb 0.57 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 3ddr n ALA 602 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3ddr s HIS 603 N -3.13 -0.20 0.70 0.00 -3.43 -1.26 -5.10 115.29 102.86 3ddr s HIS 603 Ca 0.08 0.35 -0.16 0.00 -0.80 0.00 0.00 55.06 54.53 3ddr s HIS 603 Cb 0.13 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 3ddr s HIS 603 CO 0.66 -0.19 0.87 -1.13 -2.00 0.00 0.00 174.74 172.96 3ddr n SER 604 N 0.63 0.16 0.00 7.38 3.41 -1.26 -3.16 113.62 120.78 3ddr n SER 604 Ca -0.05 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3ddr n SER 604 Cb 0.58 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 3ddr n SER 604 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ddr n SER 605 N -1.24 0.00 -3.80 4.04 2.88 -1.26 -5.02 113.62 109.22 3ddr n SER 605 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 3ddr n SER 605 Cb 0.49 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.82 3ddr n SER 605 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ddr s SER 606 N -0.01 -0.11 -0.02 -3.46 0.15 -1.19 -4.17 113.70 104.89 3ddr s SER 606 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3ddr s SER 606 Cb 0.00 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 3ddr s SER 606 CO 0.00 -0.09 0.02 -0.89 1.20 0.00 0.00 173.24 173.48 3ddr s THR 607 N 0.55 0.03 0.09 6.45 2.01 -0.91 -4.30 115.64 119.56 3ddr s THR 607 Ca -0.04 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3ddr s THR 607 Cb -0.06 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 72.25 3ddr s THR 607 CO -0.02 0.10 0.52 -1.10 -0.69 0.00 0.00 174.62 173.43 3ddr s GLN 608 N 0.96 4.03 0.12 4.92 -0.21 0.89 -1.45 119.66 128.93 3ddr s GLN 608 Ca -0.09 0.55 0.06 0.00 0.02 0.00 0.00 55.36 55.90 3ddr s GLN 608 Cb -0.12 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 3ddr s GLN 608 CO -0.02 0.58 -0.14 0.71 -2.12 0.00 0.00 175.29 174.29 3ddr s TYR 609 N -1.27 1.42 0.60 0.91 2.02 0.15 -2.19 117.35 118.98 3ddr s TYR 609 Ca 0.32 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 56.33 3ddr s TYR 609 Cb -0.17 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 3ddr s TYR 609 CO 0.18 0.15 1.05 -2.14 -1.57 0.00 0.00 175.55 173.21 3ddr s PRO 610 N -2.59 3.33 -0.37 -1.71 0.02 0.09 -4.21 135.00 129.55 3ddr s PRO 610 Ca 0.08 1.11 0.01 0.00 0.02 0.00 0.00 61.00 62.22 3ddr s PRO 610 Cb -0.05 -2.04 0.14 0.00 0.02 0.00 0.00 34.50 32.57 3ddr s PRO 610 CO 0.03 -0.79 0.23 1.21 -0.33 0.00 0.00 177.00 177.35 3ddr s ASN 611 N -3.07 2.87 0.00 2.53 3.84 -1.14 -4.90 114.94 115.08 3ddr s ASN 611 Ca 0.62 -2.36 0.00 0.00 0.21 0.00 0.00 52.86 51.32 3ddr s ASN 611 Cb -0.15 -0.49 0.00 0.00 -0.55 0.00 0.00 41.25 40.06 3ddr s ASN 611 CO 0.40 -0.29 0.63 -2.65 -2.79 0.00 0.00 177.10 172.40 3ddr n PRO 612 N 3.82 0.81 -0.16 0.43 -0.02 -1.25 -3.16 135.00 135.46 3ddr n PRO 612 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3ddr n PRO 612 Cb 0.38 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3ddr n PRO 612 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ddr n PHE 613 N -0.23 0.00 -1.59 6.00 3.72 -1.26 -5.07 117.46 119.03 3ddr n PHE 613 Ca 0.00 0.00 -0.56 0.00 -0.05 0.00 0.00 57.45 56.84 3ddr n PHE 613 Cb 0.09 0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3ddr n PHE 613 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ddr n LEU 614 N 0.00 1.21 -4.83 4.37 4.77 -1.19 -4.98 117.00 116.36 3ddr n LEU 614 Ca 0.00 1.13 -0.37 0.00 -0.03 0.00 0.00 56.01 56.74 3ddr n LEU 614 Cb 0.56 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 3ddr n LEU 614 CO 0.00 -1.20 0.23 -1.58 -1.33 0.00 0.00 177.39 173.51 3ddr s GLN 615 N 0.98 4.07 0.44 3.23 0.74 -1.26 -4.88 119.66 122.98 3ddr s GLN 615 Ca 0.90 0.59 -0.22 0.00 0.05 0.00 0.00 55.36 56.68 3ddr s GLN 615 Cb -1.11 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 29.79 3ddr s GLN 615 CO 0.56 0.59 1.01 -2.14 -0.55 0.00 0.00 175.29 174.76 3ddr s PRO 616 N -1.43 4.05 0.35 1.67 0.02 -1.26 -4.86 135.00 133.54 3ddr s PRO 616 Ca 0.31 1.34 -0.27 0.00 0.02 0.00 0.00 61.00 62.41 3ddr s PRO 616 Cb -0.17 -2.28 -0.09 0.00 0.02 0.00 0.00 34.50 31.97 3ddr s PRO 616 CO 0.18 -0.21 1.11 -1.21 -0.33 0.00 0.00 177.00 176.54 3ddr s GLU 617 N -2.94 4.35 -0.04 5.54 2.02 -0.79 -4.88 118.70 121.95 3ddr s GLU 617 Ca 0.62 1.73 0.01 0.00 0.02 0.00 0.00 54.97 57.36 3ddr s GLU 617 Cb -0.16 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.22 3ddr s GLU 617 CO 0.21 -0.03 -0.06 0.50 0.02 0.00 0.00 175.26 175.89 3ddr s ARG 618 N -1.98 0.95 0.40 1.61 3.52 -1.22 -1.19 118.95 121.05 3ddr s ARG 618 Ca 0.52 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 3ddr s ARG 618 Cb -0.29 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.15 3ddr s ARG 618 CO 0.37 -0.04 0.18 -1.54 -0.81 0.00 0.00 175.30 173.46 3ddr s SER 619 N 0.76 4.49 -0.24 -2.12 1.04 -0.50 -2.78 113.70 114.35 3ddr s SER 619 Ca -0.11 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 3ddr s SER 619 Cb -0.14 -0.52 0.13 0.00 0.10 0.00 0.00 66.02 65.59 3ddr s SER 619 CO 0.01 -0.50 0.40 -0.60 0.98 0.00 0.00 173.24 173.53 3ddr s ARG 620 N -3.90 0.36 -0.08 4.02 3.52 -0.70 -2.20 118.95 119.98 3ddr s ARG 620 Ca 0.41 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.68 3ddr s ARG 620 Cb 0.02 -0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.14 3ddr s ARG 620 CO 0.23 -0.58 -0.17 0.00 -0.81 0.00 0.00 175.30 173.97 3ddr s ALA 621 N 2.58 1.63 -0.01 6.12 0.00 0.11 -1.00 121.76 131.19 3ddr s ALA 621 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3ddr s ALA 621 Cb -0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3ddr s ALA 621 CO -0.16 0.17 0.02 -1.58 0.00 0.00 0.00 175.76 174.21 3ddr s TRP 622 N 0.56 3.13 0.05 0.00 0.52 -1.13 -1.56 118.94 120.50 3ddr s TRP 622 Ca -0.16 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.13 3ddr s TRP 622 Cb -0.17 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 3ddr s TRP 622 CO 0.05 0.48 -0.13 -2.00 0.02 0.00 0.00 176.95 175.38 3ddr s GLU 623 N -1.50 0.82 -0.04 4.98 2.12 0.97 -1.30 118.70 124.76 3ddr s GLU 623 Ca 0.19 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.72 3ddr s GLU 623 Cb -0.12 -0.80 0.03 0.00 0.26 0.00 0.00 34.13 33.51 3ddr s GLU 623 CO 0.10 0.19 0.07 0.08 -0.54 0.00 0.00 175.26 175.15 3ddr s VAL 624 N -1.01 -0.08 0.14 3.70 1.01 0.22 -1.85 120.40 122.54 3ddr s VAL 624 Ca -0.01 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 3ddr s VAL 624 Cb -0.08 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 36.23 3ddr s VAL 624 CO 0.01 0.10 1.06 0.61 0.00 0.00 0.00 175.10 176.89 3ddr n GLY 625 N 4.40 0.53 3.18 4.51 0.00 -0.99 0.14 105.19 116.97 3ddr n GLY 625 Ca -0.23 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 3ddr n GLY 625 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ddr s PHE 626 N -2.14 -0.01 0.18 1.61 -0.71 -0.53 -1.12 117.98 115.27 3ddr s PHE 626 Ca 0.24 -0.12 0.09 0.00 -1.04 0.00 0.00 56.93 56.11 3ddr s PHE 626 Cb -0.02 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 3ddr s PHE 626 CO 0.04 -0.40 -0.19 0.54 -1.34 0.00 0.00 175.22 173.87 3ddr s ASN 627 N -1.79 2.86 -0.18 1.98 6.03 -0.48 -1.72 114.94 121.65 3ddr s ASN 627 Ca -0.09 -0.89 0.01 0.00 -1.03 0.00 0.00 52.86 50.86 3ddr s ASN 627 Cb -0.03 -0.18 0.03 0.00 -3.03 0.00 0.00 41.25 38.04 3ddr s ASN 627 CO -0.01 -0.02 -0.15 -0.69 -2.03 0.00 0.00 177.10 174.21 3ddr s VAL 628 N -2.12 1.77 -0.40 3.54 1.01 0.01 -1.89 120.40 122.33 3ddr s VAL 628 Ca 0.18 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3ddr s VAL 628 Cb -0.05 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.73 3ddr s VAL 628 CO 0.08 0.37 0.12 -1.10 0.00 0.00 0.00 175.10 174.57 3ddr s GLN 629 N 1.38 1.60 -0.32 2.72 -0.21 -1.19 -1.69 119.66 121.95 3ddr s GLN 629 Ca 0.02 -2.08 0.03 0.00 0.02 0.00 0.00 55.36 53.35 3ddr s GLN 629 Cb -0.14 -3.17 0.10 0.00 1.00 0.00 0.00 33.01 30.79 3ddr s GLN 629 CO -0.10 -1.00 0.04 -1.14 -2.12 0.00 0.00 175.29 170.97 3ddr s GLN 630 N 0.54 1.40 0.65 2.91 2.00 -0.84 -4.63 119.66 121.69 3ddr s GLN 630 Ca 0.13 -1.65 -0.16 0.00 -2.00 0.00 0.00 55.36 51.69 3ddr s GLN 630 Cb -0.21 -2.93 -0.00 0.00 0.80 0.00 0.00 33.01 30.66 3ddr s GLN 630 CO -0.06 -0.91 1.13 -2.14 -0.50 0.00 0.00 175.29 172.81 3ddr s PRO 631 N 1.07 2.78 -0.59 1.67 0.02 -1.26 -2.37 135.00 136.32 3ddr s PRO 631 Ca 0.09 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 3ddr s PRO 631 Cb -0.19 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.41 3ddr s PRO 631 CO -0.11 -1.28 0.64 -0.25 -0.33 0.00 0.00 177.00 175.67 3ddr n ASP 632 N -2.30 -6.90 0.00 2.53 8.00 -0.28 -4.95 116.55 112.64 3ddr n ASP 632 Ca 0.11 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3ddr n ASP 632 Cb 0.52 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 3ddr n ASP 632 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3ddr n LEU 633 N -1.10 0.12 -0.05 0.64 7.94 -1.26 -4.93 117.00 118.36 3ddr n LEU 633 Ca -0.03 0.03 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3ddr n LEU 633 Cb 0.56 -0.29 -0.01 0.00 0.53 0.00 0.00 43.42 44.21 3ddr n LEU 633 CO 0.54 -0.29 -0.27 0.79 -1.11 0.00 0.00 177.39 177.04 3ddr n TRP 634 N -2.01 0.46 -2.84 1.96 5.03 -1.26 -4.99 117.44 113.78 3ddr n TRP 634 Ca 0.00 0.20 -0.20 0.00 3.03 0.00 0.00 57.50 60.53 3ddr n TRP 634 Cb 0.00 -0.52 0.04 0.00 -1.03 0.00 0.00 31.31 29.80 3ddr n TRP 634 CO 0.00 0.00 0.00 -0.06 -0.03 0.00 0.00 177.69 177.60 3ddr s PHE 635 N -1.90 2.40 0.00 -5.99 0.08 -1.26 -5.08 117.98 106.23 3ddr s PHE 635 Ca -0.12 -0.32 -0.22 0.00 0.12 0.00 0.00 56.93 56.39 3ddr s PHE 635 Cb 0.02 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 3ddr s PHE 635 CO 0.17 -0.87 0.66 -2.00 -0.10 0.00 0.00 175.22 173.08 3ddr s GLU 636 N -4.64 4.39 0.00 0.44 2.12 -1.26 -3.89 118.70 115.86 3ddr s GLU 636 Ca 0.59 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.77 3ddr s GLU 636 Cb -0.09 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3ddr s GLU 636 CO 0.37 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.81 3ddr n GLY 637 N 2.51 0.75 3.92 -1.50 0.00 -1.26 -4.97 105.19 104.65 3ddr n GLY 637 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3ddr n GLY 637 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ddr s ASP 638 N -2.56 4.92 -0.19 1.61 1.47 -1.25 -4.83 116.67 115.82 3ddr s ASP 638 Ca 0.00 0.55 -0.05 0.00 1.18 0.00 0.00 52.55 54.24 3ddr s ASP 638 Cb 0.00 -1.24 0.07 0.00 -0.34 0.00 0.00 42.92 41.41 3ddr s ASP 638 CO 0.00 -1.55 0.13 -0.13 0.68 0.00 0.00 175.17 174.31 3ddr s ARG 639 N -5.25 0.11 0.11 2.11 0.52 -0.70 -1.13 118.95 114.72 3ddr s ARG 639 Ca 0.59 -0.04 -0.21 0.00 -0.52 0.00 0.00 55.73 55.55 3ddr s ARG 639 Cb -0.11 -1.57 -0.07 0.00 0.52 0.00 0.00 34.95 33.72 3ddr s ARG 639 CO 0.45 -0.71 0.65 -1.17 0.02 0.00 0.00 175.30 174.55 3ddr s LEU 640 N 2.19 4.54 -0.11 2.53 2.96 -1.00 -1.49 118.68 128.31 3ddr s LEU 640 Ca 0.04 1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 55.19 3ddr s LEU 640 Cb -0.16 -3.07 0.04 0.00 0.50 0.00 0.00 46.19 43.50 3ddr s LEU 640 CO -0.13 0.24 0.42 0.54 -1.32 0.00 0.00 176.35 176.10 3ddr s VAL 641 N -1.14 0.02 0.08 1.68 0.11 0.08 -1.98 120.40 119.24 3ddr s VAL 641 Ca 0.32 -0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.98 3ddr s VAL 641 Cb -0.21 -0.64 0.08 0.00 -1.53 0.00 0.00 36.38 34.08 3ddr s VAL 641 CO 0.22 -0.07 0.66 0.00 -3.33 0.00 0.00 175.10 172.58 3ddr s ALA 642 N -0.32 -1.68 -0.10 1.54 0.00 -0.68 0.05 121.76 120.57 3ddr s ALA 642 Ca -0.05 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3ddr s ALA 642 Cb -0.03 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.71 3ddr s ALA 642 CO 0.02 -0.65 0.21 0.21 0.00 0.00 0.00 175.76 175.56 3ddr s LYS 643 N -2.99 0.14 -0.09 0.00 2.20 0.15 -0.81 119.74 118.34 3ddr s LYS 643 Ca -0.02 0.55 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 3ddr s LYS 643 Cb -0.01 -0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.19 3ddr s LYS 643 CO -0.07 -0.22 -0.12 0.08 -0.36 0.00 0.00 175.35 174.66 3ddr s VAL 644 N 1.69 1.26 0.07 4.02 1.01 -0.70 -1.04 120.40 126.71 3ddr s VAL 644 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3ddr s VAL 644 Cb -0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3ddr s VAL 644 CO -0.07 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.31 3ddr s ALA 645 N 1.02 0.96 -0.13 5.51 0.00 -0.71 -1.45 121.76 126.95 3ddr s ALA 645 Ca -0.07 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3ddr s ALA 645 Cb -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3ddr s ALA 645 CO -0.01 0.05 -0.22 -0.47 0.00 0.00 0.00 175.76 175.11 3ddr s TYR 646 N -1.63 2.62 0.06 0.00 6.14 0.37 -1.40 117.35 123.50 3ddr s TYR 646 Ca -0.03 -1.29 0.09 0.00 0.64 0.00 0.00 57.07 56.49 3ddr s TYR 646 Cb -0.08 -1.78 -0.03 0.00 0.42 0.00 0.00 41.96 40.49 3ddr s TYR 646 CO 0.01 -0.58 -0.26 -0.59 0.64 0.00 0.00 175.55 174.77 3ddr s PHE 647 N 0.76 2.26 -0.42 4.97 -0.71 -0.98 -0.61 117.98 123.25 3ddr s PHE 647 Ca -0.09 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 3ddr s PHE 647 Cb -0.16 -1.34 0.16 0.00 -1.21 0.00 0.00 43.02 40.47 3ddr s PHE 647 CO -0.00 0.15 0.31 0.34 -1.34 0.00 0.00 175.22 174.68 3ddr s ASP 648 N -1.35 2.24 -0.11 1.98 2.15 -0.42 -2.50 116.67 118.67 3ddr s ASP 648 Ca 0.12 -2.85 -0.27 0.00 0.43 0.00 0.00 52.55 49.97 3ddr s ASP 648 Cb -0.10 -0.56 -0.02 0.00 -0.30 0.00 0.00 42.92 41.95 3ddr s ASP 648 CO 0.03 -0.21 0.88 -0.89 -0.17 0.00 0.00 175.17 174.81 3ddr s THR 649 N 0.24 4.88 -0.23 1.71 2.01 -0.34 -2.85 115.64 121.06 3ddr s THR 649 Ca 0.27 1.79 0.02 0.00 0.31 0.00 0.00 61.69 64.08 3ddr s THR 649 Cb -0.06 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.30 3ddr s THR 649 CO -0.13 0.08 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.01 3ddr s LYS 650 N 1.71 2.29 0.13 4.92 2.20 -0.17 -1.05 119.74 129.77 3ddr s LYS 650 Ca 0.43 -1.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 3ddr s LYS 650 Cb -0.18 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 3ddr s LYS 650 CO 0.17 -0.47 0.00 0.08 -0.36 0.00 0.00 175.35 174.78 3ddr s VAL 651 N 1.23 3.89 0.08 4.02 1.01 0.00 -1.71 120.40 128.92 3ddr s VAL 651 Ca -0.04 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.81 3ddr s VAL 651 Cb -0.18 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3ddr s VAL 651 CO -0.07 0.01 -0.15 1.51 0.00 0.00 0.00 175.10 176.40 3ddr s ASP 652 N -2.61 1.80 0.00 3.32 1.47 -1.12 -0.64 116.67 118.89 3ddr s ASP 652 Ca 0.26 -0.65 0.00 0.00 1.18 0.00 0.00 52.55 53.34 3ddr s ASP 652 Cb -0.11 -0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.42 3ddr s ASP 652 CO 0.18 -0.08 0.00 0.59 0.68 0.00 0.00 175.17 176.55 3ddr n ASN 653 N 1.14 -2.88 -4.58 2.11 4.13 -1.23 -3.40 115.26 110.56 3ddr n ASN 653 Ca -0.20 0.00 -0.51 0.00 1.68 0.00 0.00 54.58 55.55 3ddr n ASN 653 Cb 0.54 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 38.25 3ddr n ASN 653 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ddr n TYR 654 N -2.96 1.94 -2.24 3.10 4.19 -1.26 -4.14 117.16 115.78 3ddr n TYR 654 Ca 0.00 0.21 -0.41 0.00 3.31 0.00 0.00 57.90 61.01 3ddr n TYR 654 Cb 0.00 -2.57 -0.03 0.00 0.49 0.00 0.00 39.34 37.23 3ddr n TYR 654 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 3ddr s ILE 655 N 5.73 3.15 -0.01 2.97 -5.25 -1.26 -1.85 121.20 124.69 3ddr s ILE 655 Ca 1.02 1.02 -0.02 0.00 -0.99 0.00 0.00 60.65 61.69 3ddr s ILE 655 Cb -0.81 -3.65 0.00 0.00 2.95 0.00 0.00 42.46 40.95 3ddr s ILE 655 CO 0.52 0.19 0.04 0.20 -1.79 0.00 0.00 174.94 174.10 3ddr s ASN 656 N -0.06 -0.01 -0.13 4.36 0.01 -0.61 -4.94 114.94 113.56 3ddr s ASN 656 Ca 0.53 0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 52.39 3ddr s ASN 656 Cb -0.36 0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 3ddr s ASN 656 CO 0.42 -0.06 1.56 -0.22 -1.51 0.00 0.00 177.10 177.29 3ddr s LEU 657 N -0.19 4.16 -0.04 0.60 2.96 -1.26 -0.46 118.68 124.45 3ddr s LEU 657 Ca -0.02 1.93 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 3ddr s LEU 657 Cb -0.02 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3ddr s LEU 657 CO 0.00 -1.00 -0.15 0.00 -1.32 0.00 0.00 176.35 173.88 3ddr s ALA 658 N 4.30 2.63 0.30 5.97 0.00 0.23 -3.97 121.76 131.21 3ddr s ALA 658 Ca 0.69 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3ddr s ALA 658 Cb -0.28 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3ddr s ALA 658 CO 0.26 0.56 0.00 0.44 0.00 0.00 0.00 175.76 177.02 3ddr n ILE 659 N 2.23 0.00 -4.26 0.00 -5.35 -0.80 -1.37 119.36 109.82 3ddr n ILE 659 Ca -0.17 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 61.99 3ddr n ILE 659 Cb 0.52 -1.30 -0.09 0.00 -1.74 0.00 0.00 39.64 37.04 3ddr n ILE 659 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3ddr n ASP 660 N -1.99 0.49 -4.73 7.28 2.03 -0.77 -4.89 116.55 113.97 3ddr n ASP 660 Ca 0.00 -1.25 -0.29 0.00 0.52 0.00 0.00 54.79 53.77 3ddr n ASP 660 Cb 0.00 -1.55 -0.07 0.00 -0.72 0.00 0.00 41.12 38.78 3ddr n ASP 660 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ddr s ARG 661 N -7.30 2.70 -0.12 -0.67 1.81 -0.75 -4.82 118.95 109.80 3ddr s ARG 661 Ca 0.04 -0.82 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 3ddr s ARG 661 Cb -0.02 -2.60 0.01 0.00 -0.45 0.00 0.00 34.95 31.89 3ddr s ARG 661 CO 0.97 0.53 -0.19 0.54 -0.68 0.00 0.00 175.30 176.47 3ddr s ASN 662 N -2.53 2.82 1.08 0.23 6.03 0.87 -4.52 114.94 118.92 3ddr s ASN 662 Ca 0.28 -0.53 -0.12 0.00 -1.03 0.00 0.00 52.86 51.47 3ddr s ASN 662 Cb -0.11 -1.29 0.24 0.00 -3.03 0.00 0.00 41.25 37.05 3ddr s ASN 662 CO 0.20 0.06 1.07 -0.54 -2.03 0.00 0.00 177.10 175.86 3ddr s LYS 663 N 0.84 -0.26 1.07 3.55 1.02 -1.26 -4.30 119.74 120.40 3ddr s LYS 663 Ca -0.08 1.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.83 3ddr s LYS 663 Cb -0.15 -1.61 0.08 0.00 -0.52 0.00 0.00 37.83 35.63 3ddr s LYS 663 CO -0.01 -3.35 0.13 -2.30 -0.92 0.00 0.00 175.35 168.90 3ddr n PRO 664 N -4.69 -1.17 0.00 -1.68 -0.02 -1.25 -4.85 135.00 121.34 3ddr n PRO 664 Ca 0.06 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 3ddr n PRO 664 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3ddr n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ddr n GLY 665 N 1.86 -1.26 3.74 -1.23 0.00 -0.55 -4.42 105.19 103.34 3ddr n GLY 665 Ca 0.03 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3ddr n GLY 665 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 666 N 0.00 3.25 -0.31 0.99 1.43 -0.59 -1.20 118.68 122.25 3ddr s LEU 666 Ca 0.00 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.92 3ddr s LEU 666 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3ddr s LEU 666 CO 0.00 -2.04 2.04 -0.69 0.23 0.00 0.00 176.35 175.89 3ddr s VAL 667 N -2.35 3.22 -0.44 -1.59 1.01 -1.26 -4.79 120.40 114.20 3ddr s VAL 667 Ca 0.68 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3ddr s VAL 667 Cb -0.23 -3.33 0.15 0.00 0.00 0.00 0.00 36.38 32.97 3ddr s VAL 667 CO 0.47 -0.23 0.28 -1.58 0.00 0.00 0.00 175.10 174.04 3ddr s GLN 668 N 6.29 1.13 0.42 2.72 0.74 -1.26 -5.12 119.66 124.58 3ddr s GLN 668 Ca 0.90 -1.99 -0.25 0.00 0.05 0.00 0.00 55.36 54.07 3ddr s GLN 668 Cb -0.26 -1.97 -0.10 0.00 1.10 0.00 0.00 33.01 31.78 3ddr s GLN 668 CO 0.33 -1.24 1.24 -2.30 -0.55 0.00 0.00 175.29 172.77 3ddr n PRO 669 N 3.36 1.85 -3.13 1.67 -0.02 -1.26 -4.91 135.00 132.56 3ddr n PRO 669 Ca 0.15 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.34 3ddr n PRO 669 Cb 0.38 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3ddr n PRO 669 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ddr s SER 670 N -0.57 -0.95 0.65 2.55 0.15 -1.26 -5.03 113.70 109.24 3ddr s SER 670 Ca 0.61 0.03 0.41 0.00 0.70 0.00 0.00 55.95 57.70 3ddr s SER 670 Cb -0.51 1.54 2.27 0.00 -1.71 0.00 0.00 66.02 67.61 3ddr s SER 670 CO 0.58 -0.16 2.34 1.23 1.20 0.00 0.00 173.24 178.42 3ddr h GLY 671 N 7.38 0.00 1.75 9.45 0.00 -1.92 -1.72 103.07 118.01 3ddr h GLY 671 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ddr h GLY 671 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3ddr n GLY 672 N -1.09 -1.28 3.57 4.60 0.00 -1.26 -1.84 105.19 107.89 3ddr n GLY 672 Ca -0.03 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3ddr n GLY 672 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ddr s ASN 673 N -2.75 5.53 0.03 1.61 -0.87 -0.65 -2.14 114.94 115.70 3ddr s ASN 673 Ca 0.20 0.82 0.06 0.00 -1.57 0.00 0.00 52.86 52.38 3ddr s ASN 673 Cb 0.18 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.85 3ddr s ASN 673 CO 0.44 -2.08 -0.16 0.00 -2.57 0.00 0.00 177.10 172.72 3ddr s ALA 674 N 8.19 2.66 -0.04 0.60 0.00 -0.53 -1.82 121.76 130.82 3ddr s ALA 674 Ca 0.74 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 3ddr s ALA 674 Cb -0.17 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.21 3ddr s ALA 674 CO 0.27 0.58 0.63 0.00 0.00 0.00 0.00 175.76 177.24 3ddr s ALA 675 N -0.93 -1.63 0.05 0.00 0.00 -0.47 0.31 121.76 119.09 3ddr s ALA 675 Ca 0.15 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 3ddr s ALA 675 Cb -0.11 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3ddr s ALA 675 CO 0.06 -0.36 0.89 0.71 0.00 0.00 0.00 175.76 177.05 3ddr s TYR 676 N -1.26 3.73 0.05 0.00 1.51 -1.26 -0.60 117.35 119.52 3ddr s TYR 676 Ca -0.11 1.64 -0.05 0.00 -1.01 0.00 0.00 57.07 57.54 3ddr s TYR 676 Cb -0.01 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 38.84 3ddr s TYR 676 CO 0.09 0.16 0.08 0.14 -1.11 0.00 0.00 175.55 174.90 3ddr s VAL 677 N 0.31 0.16 0.00 0.71 -7.23 0.39 -4.69 120.40 110.05 3ddr s VAL 677 Ca 0.45 -1.33 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 3ddr s VAL 677 Cb -0.21 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3ddr s VAL 677 CO 0.26 -0.73 0.88 0.20 -0.31 0.00 0.00 175.10 175.41 3ddr s ASN 678 N -2.53 7.27 0.37 4.85 0.02 -1.26 -1.57 114.94 122.09 3ddr s ASN 678 Ca 0.01 1.54 -0.28 0.00 -1.02 0.00 0.00 52.86 53.11 3ddr s ASN 678 Cb 0.03 -2.52 -0.10 0.00 0.02 0.00 0.00 41.25 38.68 3ddr s ASN 678 CO -0.08 -0.17 1.34 0.21 0.02 0.00 0.00 177.10 178.42 3ddr s ASN 679 N 0.72 6.52 0.00 -1.22 3.84 -0.77 -4.72 114.94 119.31 3ddr s ASN 679 Ca 0.46 2.74 0.26 0.00 0.21 0.00 0.00 52.86 56.53 3ddr s ASN 679 Cb -0.20 -2.65 0.70 0.00 -0.55 0.00 0.00 41.25 38.55 3ddr s ASN 679 CO 0.25 -0.71 1.53 0.18 -2.79 0.00 0.00 177.10 175.56 3ddr n LEU 680 N 0.48 1.28 -4.91 3.21 4.77 0.93 -3.58 117.00 119.19 3ddr n LEU 680 Ca 0.02 -0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 55.41 3ddr n LEU 680 Cb 0.42 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3ddr n LEU 680 CO 0.59 0.23 -0.03 -0.44 -1.33 0.00 0.00 177.39 176.41 3ddr s SER 681 N -2.40 5.61 0.11 -1.43 0.01 -1.26 -4.99 113.70 109.35 3ddr s SER 681 Ca 0.26 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 3ddr s SER 681 Cb 0.19 -1.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.22 3ddr s SER 681 CO 0.49 -0.35 1.12 -0.54 0.41 0.00 0.00 173.24 174.37 3ddr s LYS 682 N -4.05 4.52 -0.17 12.44 -0.14 -1.26 -4.22 119.74 126.86 3ddr s LYS 682 Ca 0.42 1.70 -0.11 0.00 -1.36 0.00 0.00 55.97 56.62 3ddr s LYS 682 Cb -0.07 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.70 3ddr s LYS 682 CO 0.28 -0.07 0.18 0.99 -0.76 0.00 0.00 175.35 175.97 3ddr s THR 683 N 0.45 5.39 -0.05 2.17 2.01 0.19 -4.73 115.64 121.07 3ddr s THR 683 Ca 0.53 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 3ddr s THR 683 Cb -0.28 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.75 3ddr s THR 683 CO 0.32 0.46 0.09 0.00 -0.69 0.00 0.00 174.62 174.79 3ddr s ARG 684 N 0.11 -0.00 -0.23 4.92 1.70 -1.26 -0.82 118.95 123.37 3ddr s ARG 684 Ca 0.12 0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.66 3ddr s ARG 684 Cb -0.12 -0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 33.96 3ddr s ARG 684 CO 0.01 -0.22 -0.00 -0.06 -1.08 0.00 0.00 175.30 173.95 3ddr s PHE 685 N 1.49 3.01 0.02 5.89 0.08 -0.21 -4.91 117.98 123.35 3ddr s PHE 685 Ca -0.05 -0.73 -0.15 0.00 0.12 0.00 0.00 56.93 56.12 3ddr s PHE 685 Cb -0.12 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 3ddr s PHE 685 CO -0.04 -0.46 0.33 -0.98 -0.10 0.00 0.00 175.22 173.97 3ddr s ARG 686 N 1.50 0.79 0.00 0.44 1.70 -1.26 -1.20 118.95 120.92 3ddr s ARG 686 Ca 0.06 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 3ddr s ARG 686 Cb -0.15 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 3ddr s ARG 686 CO -0.01 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 3ddr n GLY 687 N 0.79 -0.77 2.92 3.88 0.00 -1.04 -0.13 105.19 110.84 3ddr n GLY 687 Ca -0.19 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 3ddr n GLY 687 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 688 N 0.00 1.54 -0.13 0.99 1.43 0.06 -2.32 118.68 120.24 3ddr s LEU 688 Ca 0.00 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3ddr s LEU 688 Cb 0.00 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 3ddr s LEU 688 CO 0.00 -0.01 -0.11 -1.61 0.23 0.00 0.00 176.35 174.85 3ddr s GLU 689 N 0.58 3.45 -0.14 1.70 2.02 -0.50 -0.15 118.70 125.66 3ddr s GLU 689 Ca -0.08 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3ddr s GLU 689 Cb -0.11 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 3ddr s GLU 689 CO 0.00 0.23 -0.17 0.71 0.02 0.00 0.00 175.26 176.05 3ddr s TYR 690 N 0.33 2.74 -0.03 1.61 2.02 0.13 -1.74 117.35 122.41 3ddr s TYR 690 Ca -0.09 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 55.59 3ddr s TYR 690 Cb -0.15 -1.85 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3ddr s TYR 690 CO 0.05 -0.45 0.04 1.14 -1.57 0.00 0.00 175.55 174.77 3ddr s GLN 691 N 0.69 -0.04 -0.19 -0.62 -2.07 -0.21 -0.25 119.66 116.97 3ddr s GLN 691 Ca -0.08 0.24 -0.10 0.00 -1.82 0.00 0.00 55.36 53.60 3ddr s GLN 691 Cb -0.16 -0.29 0.07 0.00 -1.09 0.00 0.00 33.01 31.54 3ddr s GLN 691 CO 0.02 -0.20 0.44 -1.17 -1.32 0.00 0.00 175.29 173.06 3ddr s LEU 692 N 1.30 -0.26 -0.09 2.60 0.20 0.62 0.31 118.68 123.36 3ddr s LEU 692 Ca -0.06 0.98 0.01 0.00 0.69 0.00 0.00 54.13 55.74 3ddr s LEU 692 Cb -0.13 1.46 0.02 0.00 -0.43 0.00 0.00 46.19 47.12 3ddr s LEU 692 CO -0.03 -0.20 -0.09 0.21 -0.29 0.00 0.00 176.35 175.94 3ddr s ASN 693 N 1.59 1.97 -0.20 3.68 2.47 0.11 -0.31 114.94 124.26 3ddr s ASN 693 Ca -0.09 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 52.88 3ddr s ASN 693 Cb -0.09 -0.81 -0.00 0.00 -1.45 0.00 0.00 41.25 38.90 3ddr s ASN 693 CO -0.14 -0.06 -0.08 -0.47 -3.72 0.00 0.00 177.10 172.63 3ddr s TYR 694 N 1.30 2.91 -0.41 0.43 5.04 -0.61 -0.74 117.35 125.27 3ddr s TYR 694 Ca -0.03 -1.03 0.01 0.00 -2.44 0.00 0.00 57.07 53.58 3ddr s TYR 694 Cb -0.14 -2.04 0.11 0.00 0.35 0.00 0.00 41.96 40.25 3ddr s TYR 694 CO -0.04 -0.55 0.17 0.34 -1.34 0.00 0.00 175.55 174.13 3ddr s ASP 695 N 1.29 4.93 0.34 4.32 2.15 -0.55 -1.55 116.67 127.60 3ddr s ASP 695 Ca 0.03 -2.29 -0.04 0.00 0.43 0.00 0.00 52.55 50.69 3ddr s ASP 695 Cb -0.14 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 3ddr s ASP 695 CO -0.04 -0.42 0.60 0.00 -0.17 0.00 0.00 175.17 175.15 3ddr s ALA 696 N 0.74 3.59 0.12 3.66 0.00 -1.01 -1.73 121.76 127.13 3ddr s ALA 696 Ca 0.11 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 3ddr s ALA 696 Cb -0.21 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 3ddr s ALA 696 CO -0.05 0.05 1.69 0.78 0.00 0.00 0.00 175.76 178.23 3ddr h GLY 697 N 1.13 -0.04 1.78 0.00 0.00 -1.93 -3.15 103.07 100.87 3ddr h GLY 697 Ca -0.48 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3ddr h GLY 697 CO 0.64 -0.10 -0.54 -2.08 0.00 0.00 0.00 176.54 174.46 3ddr h VAL 698 N -0.12 0.52 -3.58 4.60 2.07 -1.96 -3.40 116.25 114.37 3ddr h VAL 698 Ca 0.06 -1.78 -0.09 0.00 0.82 0.00 0.00 66.70 65.71 3ddr h VAL 698 Cb 0.21 2.19 -0.16 0.00 -1.52 0.00 0.00 31.29 32.01 3ddr h VAL 698 CO -0.15 0.30 -0.33 0.72 0.02 0.00 0.00 177.57 178.13 3ddr s PHE 699 N -3.05 0.04 0.12 1.57 -0.71 -1.19 -0.37 117.98 114.39 3ddr s PHE 699 Ca 0.03 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.47 3ddr s PHE 699 Cb 0.07 0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 3ddr s PHE 699 CO 0.74 -0.51 0.32 1.52 -1.34 0.00 0.00 175.22 175.95 3ddr s TYR 700 N -3.16 -0.00 -0.05 3.49 -0.85 -0.21 -2.41 117.35 114.16 3ddr s TYR 700 Ca -0.01 -0.37 -0.03 0.00 -0.52 0.00 0.00 57.07 56.15 3ddr s TYR 700 Cb 0.01 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.50 3ddr s TYR 700 CO -0.07 -0.67 0.13 0.00 -1.52 0.00 0.00 175.55 173.42 3ddr s ALA 701 N -3.85 -0.26 0.09 9.51 0.00 -0.59 0.09 121.76 126.75 3ddr s ALA 701 Ca 0.06 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3ddr s ALA 701 Cb 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3ddr s ALA 701 CO -0.09 -0.10 -0.06 0.34 0.00 0.00 0.00 175.76 175.84 3ddr s ASP 702 N 0.60 4.64 -0.13 0.00 2.15 -0.43 -1.57 116.67 121.93 3ddr s ASP 702 Ca -0.04 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.58 3ddr s ASP 702 Cb -0.06 -0.98 0.06 0.00 -0.30 0.00 0.00 42.92 41.63 3ddr s ASP 702 CO -0.03 0.18 0.29 -0.22 -0.17 0.00 0.00 175.17 175.23 3ddr s LEU 703 N -2.19 -0.01 -0.00 -1.34 0.20 0.58 -1.23 118.68 114.69 3ddr s LEU 703 Ca 0.23 0.65 0.01 0.00 0.69 0.00 0.00 54.13 55.71 3ddr s LEU 703 Cb -0.11 0.88 -0.00 0.00 -0.43 0.00 0.00 46.19 46.52 3ddr s LEU 703 CO 0.15 -0.20 -0.04 0.42 -0.29 0.00 0.00 176.35 176.38 3ddr s THR 704 N 1.80 0.35 -0.19 3.68 -4.23 -0.04 -0.27 115.64 116.74 3ddr s THR 704 Ca -0.05 -0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 3ddr s THR 704 Cb -0.11 -0.30 0.06 0.00 1.34 0.00 0.00 72.50 73.49 3ddr s THR 704 CO -0.10 0.10 0.47 -0.47 -0.54 0.00 0.00 174.62 174.08 3ddr s TYR 705 N -0.08 -0.66 -0.14 3.99 5.04 0.65 0.33 117.35 126.48 3ddr s TYR 705 Ca 0.01 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 56.04 3ddr s TYR 705 Cb -0.02 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 3ddr s TYR 705 CO -0.00 -0.35 -0.09 0.99 -1.34 0.00 0.00 175.55 174.76 3ddr s THR 706 N 1.20 3.44 -0.36 4.34 2.01 0.63 -0.70 115.64 126.20 3ddr s THR 706 Ca -0.08 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3ddr s THR 706 Cb -0.07 -2.48 0.09 0.00 0.01 0.00 0.00 72.50 70.06 3ddr s THR 706 CO -0.11 0.51 0.11 -2.28 -0.69 0.00 0.00 174.62 172.16 3ddr s HIS 707 N 0.37 3.55 0.17 4.92 2.46 0.79 -2.70 115.29 124.84 3ddr s HIS 707 Ca -0.08 -2.43 -0.27 0.00 0.47 0.00 0.00 55.06 52.75 3ddr s HIS 707 Cb -0.15 -2.85 -0.08 0.00 -0.13 0.00 0.00 32.58 29.37 3ddr s HIS 707 CO 0.04 -0.93 0.82 -1.64 -2.47 0.00 0.00 174.74 170.57 3ddr s MET 708 N 1.11 4.64 -0.08 2.88 -1.94 -1.26 -0.76 119.30 123.88 3ddr s MET 708 Ca 0.05 1.24 0.04 0.00 -1.71 0.00 0.00 55.69 55.32 3ddr s MET 708 Cb -0.21 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.35 3ddr s MET 708 CO -0.04 0.51 -0.22 0.42 -0.01 0.00 0.00 175.02 175.68 3ddr s ILE 709 N -0.99 1.85 0.00 2.53 1.01 0.82 -4.92 121.20 121.49 3ddr s ILE 709 Ca 0.38 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3ddr s ILE 709 Cb -0.24 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ddr s ILE 709 CO 0.27 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.34 3ddr n GLY 710 N 3.46 0.40 3.56 6.18 0.00 -1.26 -4.12 105.19 113.40 3ddr n GLY 710 Ca -0.19 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 3ddr n GLY 710 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s LYS 711 N -3.05 1.89 0.11 1.61 1.02 -1.26 -4.83 119.74 115.23 3ddr s LYS 711 Ca 0.00 -1.79 -0.16 0.00 0.02 0.00 0.00 55.97 54.05 3ddr s LYS 711 Cb 0.00 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 3ddr s LYS 711 CO 0.00 0.22 0.38 0.54 -0.92 0.00 0.00 175.35 175.56 3ddr s ASN 712 N -3.62 -0.20 0.11 2.83 6.03 -1.26 -4.98 114.94 113.85 3ddr s ASN 712 Ca 0.32 -0.30 0.05 0.00 -1.03 0.00 0.00 52.86 51.90 3ddr s ASN 712 Cb -0.01 0.45 -0.04 0.00 -3.03 0.00 0.00 41.25 38.61 3ddr s ASN 712 CO 0.17 -0.80 0.04 -1.83 -2.03 0.00 0.00 177.10 172.66 3ddr s GLU 713 N -3.55 2.69 -0.18 3.55 -1.05 -1.26 -4.95 118.70 113.95 3ddr s GLU 713 Ca 0.02 -0.83 -0.07 0.00 -0.15 0.00 0.00 54.97 53.94 3ddr s GLU 713 Cb 0.02 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 3ddr s GLU 713 CO -0.10 0.53 0.05 0.12 0.95 0.00 0.00 175.26 176.81 3ddr s PHE 714 N -1.45 3.20 -0.13 4.83 5.36 -1.26 -4.74 117.98 123.79 3ddr s PHE 714 Ca 0.28 -0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 56.21 3ddr s PHE 714 Cb -0.11 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.54 3ddr s PHE 714 CO 0.20 0.10 0.01 0.00 -1.46 0.00 0.00 175.22 174.07 3ddr n SER 716 N 5.09 0.84 -0.00 0.00 3.41 -1.02 -0.05 113.62 121.90 3ddr n SER 716 Ca -0.08 -1.14 0.07 0.00 -0.26 0.00 0.00 58.87 57.46 3ddr n SER 716 Cb 0.49 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 3ddr n SER 716 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ddr n ASN 717 N -2.13 1.06 0.00 4.04 4.13 -1.26 -1.93 115.26 119.16 3ddr n ASN 717 Ca -0.00 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.78 3ddr n ASN 717 Cb 0.04 1.31 0.00 0.00 -1.54 0.00 0.00 39.78 39.58 3ddr n ASN 717 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3ddr n LYS 718 N -1.65 0.00 -1.56 3.52 4.81 -1.26 -4.29 118.16 117.73 3ddr n LYS 718 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3ddr n LYS 718 Cb 0.30 -0.07 0.04 0.00 0.02 0.00 0.00 35.03 35.32 3ddr n LYS 718 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ddr n ALA 719 N 0.00 6.32 -1.20 3.14 0.00 -1.26 -0.09 120.51 127.42 3ddr n ALA 719 Ca 0.00 -3.49 -0.38 0.00 0.00 0.00 0.00 53.44 49.57 3ddr n ALA 719 Cb 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 19.45 17.59 3ddr n ALA 719 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3ddr n TRP 720 N -0.33 -3.02 0.00 0.00 4.27 -1.26 0.58 117.44 117.69 3ddr n TRP 720 Ca 0.53 0.32 0.00 0.00 -3.89 0.00 0.00 57.50 54.46 3ddr n TRP 720 Cb 0.45 -1.68 0.00 0.00 -1.36 0.00 0.00 31.31 28.73 3ddr n TRP 720 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3ddr n LEU 721 N 2.20 0.00 0.00 5.67 4.77 -1.26 -4.74 117.00 123.64 3ddr n LEU 721 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3ddr n LEU 721 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3ddr n LEU 721 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3ddr n GLY 722 N -1.56 2.02 3.57 -0.72 0.00 0.20 -4.92 105.19 103.77 3ddr n GLY 722 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 3ddr n GLY 722 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 723 N 0.00 -0.51 3.75 -0.02 0.00 -1.26 -3.92 105.19 103.22 3ddr n GLY 723 Ca 0.00 0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3ddr n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddr s ARG 724 N -6.14 4.34 0.01 1.61 1.81 -1.26 -1.48 118.95 117.84 3ddr s ARG 724 Ca 0.48 0.74 -0.01 0.00 -1.72 0.00 0.00 55.73 55.22 3ddr s ARG 724 Cb -0.21 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 3ddr s ARG 724 CO 0.73 0.30 0.16 -0.51 -0.68 0.00 0.00 175.30 175.30 3ddr s LEU 725 N 0.05 4.24 -0.00 2.53 1.43 -0.34 0.03 118.68 126.61 3ddr s LEU 725 Ca 0.32 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3ddr s LEU 725 Cb -0.18 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3ddr s LEU 725 CO 0.17 0.24 -0.06 -0.60 0.23 0.00 0.00 176.35 176.33 3ddr s ARG 726 N -2.05 0.45 0.14 1.70 3.52 0.32 -4.34 118.95 118.69 3ddr s ARG 726 Ca 0.28 -0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 55.35 3ddr s ARG 726 Cb -0.13 -0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 32.75 3ddr s ARG 726 CO 0.20 0.12 1.48 0.71 -0.81 0.00 0.00 175.30 177.00 3ddr s TYR 727 N -0.18 3.15 0.00 5.12 2.02 -1.26 0.87 117.35 127.06 3ddr s TYR 727 Ca 0.02 0.78 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 3ddr s TYR 727 Cb -0.02 -3.81 0.00 0.00 -0.40 0.00 0.00 41.96 37.72 3ddr s TYR 727 CO -0.00 -2.93 0.00 0.41 -1.57 0.00 0.00 175.55 171.46 3ddr n GLY 728 N 3.63 -1.26 3.41 0.71 0.00 -1.05 -4.85 105.19 105.77 3ddr n GLY 728 Ca 0.13 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3ddr n GLY 728 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ddr n ASP 729 N -1.74 4.19 -4.25 1.61 9.92 -1.26 -4.89 116.55 120.14 3ddr n ASP 729 Ca 0.00 -2.84 -0.19 0.00 -0.53 0.00 0.00 54.79 51.23 3ddr n ASP 729 Cb 0.00 -1.69 -0.11 0.00 -0.64 0.00 0.00 41.12 38.68 3ddr n ASP 729 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ddr s GLY 730 N 4.60 1.10 0.49 0.44 0.00 -1.26 -5.07 107.32 107.61 3ddr s GLY 730 Ca 0.56 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 44.05 3ddr s GLY 730 CO 0.07 -1.31 0.11 -1.35 0.00 0.00 0.00 173.10 170.61 3ddr s SER 731 N -2.31 4.23 0.63 1.64 1.04 0.12 -4.88 113.70 114.18 3ddr s SER 731 Ca 0.08 -1.47 0.34 0.00 0.48 0.00 0.00 55.95 55.38 3ddr s SER 731 Cb -0.06 0.26 1.88 0.00 0.10 0.00 0.00 66.02 68.20 3ddr s SER 731 CO 0.03 -0.81 2.16 0.03 0.98 0.00 0.00 173.24 175.63 3ddr h ARG 732 N 1.29 0.00 0.00 4.02 3.08 -1.90 -3.00 114.38 117.87 3ddr h ARG 732 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3ddr h ARG 732 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3ddr h ARG 732 CO 0.71 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 182.50 3ddr n ARG 733 N -3.43 0.00 -0.03 0.04 1.85 -1.26 -4.42 116.66 109.41 3ddr n ARG 733 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.68 3ddr n ARG 733 Cb 0.24 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.52 3ddr n ARG 733 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ddr n GLY 734 N 3.85 -0.69 2.13 2.89 0.00 -1.26 -3.62 105.19 108.48 3ddr n GLY 734 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3ddr n GLY 734 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddr n ASN 735 N -3.27 1.76 -4.58 1.61 4.13 -1.26 -2.49 115.26 111.15 3ddr n ASN 735 Ca -0.30 -1.68 -0.42 0.00 1.68 0.00 0.00 54.58 53.86 3ddr n ASN 735 Cb 1.05 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 38.80 3ddr n ASN 735 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ddr s PHE 736 N 1.92 3.11 0.00 3.10 0.08 -1.13 0.13 117.98 125.20 3ddr s PHE 736 Ca 0.13 0.48 -0.11 0.00 0.12 0.00 0.00 56.93 57.56 3ddr s PHE 736 Cb 0.06 -3.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.15 3ddr s PHE 736 CO 0.00 -0.73 0.22 1.52 -0.10 0.00 0.00 175.22 176.13 3ddr s TYR 737 N 3.04 -0.05 0.16 0.36 1.13 -1.26 -2.69 117.35 118.03 3ddr s TYR 737 Ca 0.30 0.02 0.06 0.00 -1.41 0.00 0.00 57.07 56.04 3ddr s TYR 737 Cb -0.13 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 3ddr s TYR 737 CO 0.17 -0.36 0.06 0.14 -2.51 0.00 0.00 175.55 173.05 3ddr s VAL 738 N -1.55 4.09 0.14 -3.49 -7.23 -0.52 -2.52 120.40 109.31 3ddr s VAL 738 Ca -0.13 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3ddr s VAL 738 Cb -0.06 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3ddr s VAL 738 CO 0.02 -0.08 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.80 3ddr s GLU 739 N -2.94 1.02 0.28 4.82 -1.05 0.25 -4.12 118.70 116.96 3ddr s GLU 739 Ca 0.29 -1.42 -0.29 0.00 -0.15 0.00 0.00 54.97 53.40 3ddr s GLU 739 Cb -0.10 -0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 32.91 3ddr s GLU 739 CO 0.21 0.07 1.35 -2.14 0.95 0.00 0.00 175.26 175.70 3ddr s PRO 740 N -3.67 4.33 -0.74 -4.83 0.02 -1.26 -0.52 135.00 128.32 3ddr s PRO 740 Ca 0.15 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.29 3ddr s PRO 740 Cb 0.02 -3.11 0.19 0.00 0.02 0.00 0.00 34.50 31.63 3ddr s PRO 740 CO 0.00 -0.28 0.63 0.34 -0.33 0.00 0.00 177.00 177.36 3ddr s ASP 741 N -0.04 6.09 0.32 2.53 2.15 0.10 -4.78 116.67 123.05 3ddr s ASP 741 Ca 0.54 -2.77 0.02 0.00 0.43 0.00 0.00 52.55 50.77 3ddr s ASP 741 Cb -0.40 -2.05 0.53 0.00 -0.30 0.00 0.00 42.92 40.69 3ddr s ASP 741 CO 0.47 -0.48 1.86 0.00 -0.17 0.00 0.00 175.17 176.85 3ddr h ALA 742 N 7.44 1.32 -0.50 3.66 0.00 -1.94 -2.49 119.26 126.75 3ddr h ALA 742 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ddr h ALA 742 Cb 1.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ddr h ALA 742 CO 0.74 0.48 0.29 0.00 0.00 0.00 0.00 179.25 180.75 3ddr h ALA 743 N 1.44 0.63 -0.15 0.00 0.00 -1.97 1.00 119.26 120.21 3ddr h ALA 743 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ddr h ALA 743 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ddr h ALA 743 CO 0.00 -0.02 -0.17 1.03 0.00 0.00 0.00 179.25 180.10 3ddr h SER 744 N 0.58 0.24 -0.12 0.00 0.87 -1.87 -1.40 113.55 111.85 3ddr h SER 744 Ca 0.20 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3ddr h SER 744 Cb 0.03 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3ddr h SER 744 CO -0.10 0.43 -0.24 0.78 -0.53 0.00 0.00 176.83 177.17 3ddr h ASN 745 N 0.23 0.43 0.14 6.23 2.35 -0.92 -3.18 115.58 120.87 3ddr h ASN 745 Ca 0.04 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3ddr h ASN 745 Cb 0.44 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3ddr h ASN 745 CO 0.03 0.90 -0.00 0.47 -1.65 0.00 0.00 177.43 177.18 3ddr n ASP 746 N -4.46 0.07 -4.73 5.81 9.92 0.27 -4.72 116.55 118.71 3ddr n ASP 746 Ca -0.07 -0.81 -0.42 0.00 -0.53 0.00 0.00 54.79 52.97 3ddr n ASP 746 Cb 0.44 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.82 3ddr n ASP 746 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3ddr s PHE 747 N -2.15 3.37 -0.08 1.24 2.19 -0.55 -5.01 117.98 117.00 3ddr s PHE 747 Ca 0.43 1.27 0.02 0.00 0.33 0.00 0.00 56.93 58.97 3ddr s PHE 747 Cb 0.22 -3.50 0.01 0.00 -1.31 0.00 0.00 43.02 38.44 3ddr s PHE 747 CO 0.39 -1.55 -0.13 0.08 1.83 0.00 0.00 175.22 175.84 3ddr s VAL 748 N 0.55 1.29 0.17 3.12 1.01 -1.26 -4.23 120.40 121.04 3ddr s VAL 748 Ca 0.57 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.08 3ddr s VAL 748 Cb -0.33 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3ddr s VAL 748 CO 0.33 0.39 0.04 0.42 0.00 0.00 0.00 175.10 176.28 3ddr s THR 749 N 0.81 3.95 -0.13 3.92 -4.23 -0.81 -4.98 115.64 114.16 3ddr s THR 749 Ca -0.11 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3ddr s THR 749 Cb -0.15 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.73 3ddr s THR 749 CO 0.02 -0.10 -0.02 0.00 -0.54 0.00 0.00 174.62 173.98 3ddr n ASP 751 N 5.00 0.00 -4.04 0.00 8.00 -0.24 -4.88 116.55 120.39 3ddr n ASP 751 Ca -0.10 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 3ddr n ASP 751 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3ddr n ASP 751 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 752 N 0.00 -0.42 2.36 0.44 0.00 -1.26 -2.02 105.19 104.29 3ddr n GLY 752 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3ddr n GLY 752 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 753 N -1.61 -0.31 0.05 -0.02 0.00 -1.26 -4.87 105.19 97.18 3ddr n GLY 753 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3ddr n GLY 753 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddr n THR 754 N -4.04 0.00 0.06 2.61 -2.24 -0.86 -4.64 114.28 105.17 3ddr n THR 754 Ca -0.19 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 3ddr n THR 754 Cb 0.64 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3ddr n THR 754 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ddr h GLN 755 N 0.26 -0.16 -4.32 -0.78 4.15 -1.84 -2.13 115.11 110.29 3ddr h GLN 755 Ca 0.00 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 3ddr h GLN 755 Cb 0.49 0.04 0.10 0.00 0.21 0.00 0.00 27.48 28.33 3ddr h GLN 755 CO 0.00 -0.10 -0.45 0.34 -1.93 0.00 0.00 178.83 176.68 3ddr n PHE 756 N -2.52 -1.34 0.00 3.99 -0.00 -1.25 -3.87 117.46 112.46 3ddr n PHE 756 Ca -0.02 0.47 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 3ddr n PHE 756 Cb 0.06 -3.37 0.00 0.00 -0.00 0.00 0.00 39.48 36.18 3ddr n PHE 756 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ddr n GLY 757 N -1.36 0.74 0.27 7.13 0.00 -1.26 -4.44 105.19 106.27 3ddr n GLY 757 Ca -0.04 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.37 3ddr n GLY 757 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ddr h SER 758 N 0.00 0.00 0.17 1.61 0.02 -1.73 -2.37 113.55 111.26 3ddr h SER 758 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ddr h SER 758 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ddr h SER 758 CO 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 3ddr n ALA 759 N -2.21 1.42 -0.06 3.77 0.00 -1.26 -2.18 120.51 119.99 3ddr n ALA 759 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.54 3ddr n ALA 759 Cb 0.26 -1.11 0.55 0.00 0.00 0.00 0.00 19.45 19.15 3ddr n ALA 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddr h ALA 760 N 2.28 2.13 -2.76 0.00 0.00 -1.82 -3.42 119.26 115.68 3ddr h ALA 760 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3ddr h ALA 760 Cb 0.09 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 17.64 3ddr h ALA 760 CO 0.00 -0.27 -0.73 0.71 0.00 0.00 0.00 179.25 178.96 3ddr s TYR 761 N -5.30 0.98 0.25 0.00 1.51 -0.93 -4.88 117.35 108.98 3ddr s TYR 761 Ca -0.07 -0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 55.20 3ddr s TYR 761 Cb 0.20 -0.55 -0.08 0.00 -0.11 0.00 0.00 41.96 41.42 3ddr s TYR 761 CO 0.74 -0.03 0.64 -0.51 -1.11 0.00 0.00 175.55 175.28 3ddr s LEU 762 N -2.36 4.17 0.74 -1.29 1.02 -1.26 -4.99 118.68 114.71 3ddr s LEU 762 Ca 0.04 1.13 -0.15 0.00 0.02 0.00 0.00 54.13 55.16 3ddr s LEU 762 Cb -0.03 -3.75 0.03 0.00 0.02 0.00 0.00 46.19 42.46 3ddr s LEU 762 CO -0.01 -0.08 1.13 -2.65 0.02 0.00 0.00 176.35 174.76 3ddr n PRO 763 N 0.02 0.51 -1.72 1.29 -0.02 -1.26 -5.01 135.00 128.81 3ddr n PRO 763 Ca 0.00 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 3ddr n PRO 763 Cb 0.52 -2.38 0.17 0.00 -0.02 0.00 0.00 33.50 31.80 3ddr n PRO 763 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ddr s GLY 764 N -1.78 1.69 0.37 -1.23 0.00 -1.26 -4.76 107.32 100.35 3ddr s GLY 764 Ca 0.75 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 3ddr s GLY 764 CO 0.48 -0.26 1.02 0.99 0.00 0.00 0.00 173.10 175.34 3ddr s ASP 765 N -4.54 6.95 0.01 1.64 1.11 -1.26 -4.76 116.67 115.81 3ddr s ASP 765 Ca 0.70 2.00 -0.28 0.00 0.18 0.00 0.00 52.55 55.15 3ddr s ASP 765 Cb -0.08 -2.59 0.08 0.00 1.07 0.00 0.00 42.92 41.41 3ddr s ASP 765 CO 0.53 -0.35 0.73 0.00 1.18 0.00 0.00 175.17 177.26 3ddr s ARG 766 N -2.32 1.02 0.19 8.23 1.70 -1.10 -3.91 118.95 122.75 3ddr s ARG 766 Ca 0.55 -0.07 -0.07 0.00 -0.47 0.00 0.00 55.73 55.67 3ddr s ARG 766 Cb -0.22 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 3ddr s ARG 766 CO 0.27 -0.39 0.37 0.41 -1.08 0.00 0.00 175.30 174.89 3ddr n GLY 767 N 0.30 1.56 3.00 3.88 0.00 -0.97 -0.27 105.19 112.69 3ddr n GLY 767 Ca -0.15 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 3ddr n GLY 767 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ddr s SER 768 N -1.98 0.31 -0.03 1.61 1.04 0.15 -2.08 113.70 112.73 3ddr s SER 768 Ca 0.08 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3ddr s SER 768 Cb -0.02 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3ddr s SER 768 CO 0.06 -0.34 -0.06 0.54 0.98 0.00 0.00 173.24 174.41 3ddr s VAL 769 N -1.83 0.59 0.03 5.02 0.11 -0.76 -0.86 120.40 122.69 3ddr s VAL 769 Ca -0.12 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.72 3ddr s VAL 769 Cb -0.07 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3ddr s VAL 769 CO -0.02 0.20 -0.09 0.42 -3.33 0.00 0.00 175.10 172.28 3ddr s THR 770 N 0.35 0.66 -0.25 5.04 -4.23 -0.36 0.74 115.64 117.59 3ddr s THR 770 Ca -0.05 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3ddr s THR 770 Cb -0.09 -0.64 0.07 0.00 1.34 0.00 0.00 72.50 73.19 3ddr s THR 770 CO 0.00 -0.10 0.00 -0.76 -0.54 0.00 0.00 174.62 173.22 3ddr s LEU 771 N -0.96 2.43 0.19 4.79 1.43 0.32 -1.32 118.68 125.55 3ddr s LEU 771 Ca -0.03 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 51.84 3ddr s LEU 771 Cb -0.07 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3ddr s LEU 771 CO 0.00 -0.30 0.17 -0.83 0.23 0.00 0.00 176.35 175.63 3ddr s GLY 772 N 1.49 1.60 -0.20 -3.19 0.00 0.11 -2.19 107.32 104.94 3ddr s GLY 772 Ca -0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3ddr s GLY 772 CO -0.10 -1.29 0.30 -0.32 0.00 0.00 0.00 173.10 171.69 3ddr s GLY 773 N -3.38 -0.20 0.47 0.20 0.00 0.11 -1.05 107.32 103.47 3ddr s GLY 773 Ca 0.32 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.76 3ddr s GLY 773 CO 0.24 2.31 0.73 0.50 0.00 0.00 0.00 173.10 176.89 3ddr s ARG 774 N 2.45 3.22 0.25 2.90 0.52 0.51 -2.51 118.95 126.28 3ddr s ARG 774 Ca 0.07 -0.18 -0.21 0.00 -0.52 0.00 0.00 55.73 54.89 3ddr s ARG 774 Cb -0.14 -2.46 0.06 0.00 0.52 0.00 0.00 34.95 32.92 3ddr s ARG 774 CO -0.13 -0.28 0.90 0.00 0.02 0.00 0.00 175.30 175.81 3ddr s ALA 775 N -2.66 -1.30 -1.30 2.13 0.00 -0.57 -4.75 121.76 113.31 3ddr s ALA 775 Ca 0.48 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3ddr s ALA 775 Cb -0.10 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 3ddr s ALA 775 CO 0.41 -1.03 0.57 1.19 0.00 0.00 0.00 175.76 176.90 3ddr n PHE 776 N -0.56 -1.73 -3.20 0.00 3.72 -1.26 -0.71 117.46 113.72 3ddr n PHE 776 Ca -0.05 0.61 -0.18 0.00 -0.05 0.00 0.00 57.45 57.77 3ddr n PHE 776 Cb 0.60 -3.61 0.05 0.00 -0.94 0.00 0.00 39.48 35.58 3ddr n PHE 776 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ddr n ASP 777 N -2.84 -5.28 -3.56 4.37 8.00 -1.26 -2.67 116.55 113.32 3ddr n ASP 777 Ca -0.22 -0.36 -0.26 0.00 0.71 0.00 0.00 54.79 54.65 3ddr n ASP 777 Cb 0.65 -3.95 0.02 0.00 -0.02 0.00 0.00 41.12 37.82 3ddr n ASP 777 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ddr n ARG 778 N -3.75 -4.86 -0.06 -1.24 1.74 0.11 -4.85 116.66 103.75 3ddr n ARG 778 Ca -0.02 0.63 -0.04 0.00 -0.77 0.00 0.00 57.85 57.65 3ddr n ARG 778 Cb 0.56 -5.47 -0.15 0.00 -1.02 0.00 0.00 32.46 26.37 3ddr n ARG 778 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ddr n LYS 779 N -4.28 0.67 -4.00 5.56 5.02 -0.65 -4.86 118.16 115.63 3ddr n LYS 779 Ca -0.01 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 3ddr n LYS 779 Cb 0.55 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 3ddr n LYS 779 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3ddr s LEU 780 N -5.31 2.96 -0.13 -0.35 2.96 -1.14 -0.51 118.68 117.17 3ddr s LEU 780 Ca -0.09 -0.82 0.01 0.00 -0.22 0.00 0.00 54.13 53.01 3ddr s LEU 780 Cb 0.08 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 3ddr s LEU 780 CO 0.85 -0.10 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.99 3ddr s ASP 781 N 1.31 3.61 0.12 3.68 2.15 0.07 -1.51 116.67 126.10 3ddr s ASP 781 Ca 0.01 -0.44 -0.12 0.00 0.43 0.00 0.00 52.55 52.43 3ddr s ASP 781 Cb -0.16 -1.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.94 3ddr s ASP 781 CO -0.06 0.14 0.29 0.00 -0.17 0.00 0.00 175.17 175.37 3ddr s ALA 782 N 0.48 -0.46 0.00 3.66 0.00 -1.05 0.16 121.76 124.56 3ddr s ALA 782 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3ddr s ALA 782 Cb -0.16 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3ddr s ALA 782 CO 0.05 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3ddr n GLY 783 N -0.15 0.36 3.47 0.00 0.00 -0.86 0.04 105.19 108.05 3ddr n GLY 783 Ca -0.14 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 3ddr n GLY 783 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s VAL 784 N -2.00 2.89 -0.07 1.61 0.11 -0.93 -1.63 120.40 120.38 3ddr s VAL 784 Ca 0.00 -1.11 0.04 0.00 -2.93 0.00 0.00 61.98 57.97 3ddr s VAL 784 Cb 0.00 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 3ddr s VAL 784 CO 0.00 0.36 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.06 3ddr s THR 785 N -0.92 2.73 -0.32 5.04 2.01 0.68 -0.53 115.64 124.33 3ddr s THR 785 Ca 0.15 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3ddr s THR 785 Cb -0.11 -2.06 0.08 0.00 0.01 0.00 0.00 72.50 70.42 3ddr s THR 785 CO 0.05 0.57 0.03 -0.69 -0.69 0.00 0.00 174.62 173.89 3ddr s VAL 786 N -0.29 2.64 -0.12 3.82 1.01 0.23 -0.60 120.40 127.09 3ddr s VAL 786 Ca 0.01 -1.85 -0.24 0.00 0.00 0.00 0.00 61.98 59.90 3ddr s VAL 786 Cb -0.13 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3ddr s VAL 786 CO 0.03 -0.34 0.75 -0.13 0.00 0.00 0.00 175.10 175.40 3ddr s ARG 787 N 1.09 4.36 0.13 2.72 0.52 -0.75 -1.83 118.95 125.18 3ddr s ARG 787 Ca 0.01 0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3ddr s ARG 787 Cb -0.20 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3ddr s ARG 787 CO -0.05 -0.12 0.12 -0.59 0.02 0.00 0.00 175.30 174.69 3ddr s PHE 788 N 1.43 0.61 -0.19 -0.53 -0.12 -0.88 0.88 117.98 119.19 3ddr s PHE 788 Ca 0.37 -1.01 -0.16 0.00 -0.05 0.00 0.00 56.93 56.07 3ddr s PHE 788 Cb -0.17 -0.31 0.05 0.00 -0.63 0.00 0.00 43.02 41.96 3ddr s PHE 788 CO 0.15 -0.56 0.51 0.00 -0.05 0.00 0.00 175.22 175.27 3ddr s ALA 789 N -3.99 -1.26 0.07 1.99 0.00 -0.65 -2.30 121.76 115.62 3ddr s ALA 789 Ca 0.18 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 3ddr s ALA 789 Cb 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 23.12 22.18 3ddr s ALA 789 CO -0.02 -0.25 1.37 -1.35 0.00 0.00 0.00 175.76 175.51 3ddr h PRO 790 N 5.67 0.57 0.00 0.00 0.11 -1.86 -2.70 132.00 133.79 3ddr h PRO 790 Ca -0.29 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3ddr h PRO 790 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ddr h PRO 790 CO 0.20 0.92 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 3ddr n GLY 791 N 0.26 3.92 2.77 -0.55 0.00 -1.26 -3.42 105.19 106.90 3ddr n GLY 791 Ca -0.05 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 3ddr n GLY 791 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ddr s TYR 792 N -1.27 -0.07 -0.05 1.61 5.04 0.32 -4.81 117.35 118.12 3ddr s TYR 792 Ca 0.00 0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 55.02 3ddr s TYR 792 Cb 0.00 -0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.99 3ddr s TYR 792 CO 0.00 -0.22 0.12 -0.65 -1.34 0.00 0.00 175.55 173.46 3ddr s GLN 793 N 2.10 0.13 -0.42 4.97 -0.21 -1.25 -1.40 119.66 123.57 3ddr s GLN 793 Ca 0.02 0.20 -0.10 0.00 0.02 0.00 0.00 55.36 55.51 3ddr s GLN 793 Cb -0.12 0.02 0.08 0.00 1.00 0.00 0.00 33.01 33.99 3ddr s GLN 793 CO -0.04 -0.04 0.27 0.34 -2.12 0.00 0.00 175.29 173.70 3ddr s ASP 794 N 0.26 5.69 0.02 5.90 2.15 -0.48 -4.90 116.67 125.31 3ddr s ASP 794 Ca -0.02 -1.49 0.26 0.00 0.43 0.00 0.00 52.55 51.73 3ddr s ASP 794 Cb -0.03 -2.01 0.61 0.00 -0.30 0.00 0.00 42.92 41.20 3ddr s ASP 794 CO -0.01 -0.55 1.50 -1.20 -0.17 0.00 0.00 175.17 174.74 3ddr n SER 795 N 4.95 0.45 -0.64 -0.34 7.64 -1.26 -4.08 113.62 120.33 3ddr n SER 795 Ca -0.10 -0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.74 3ddr n SER 795 Cb 0.43 0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.78 3ddr n SER 795 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ddr n SER 796 N -1.60 1.57 -3.99 6.43 3.41 -1.26 -4.78 113.62 113.40 3ddr n SER 796 Ca 0.05 -2.12 -0.16 0.00 -0.26 0.00 0.00 58.87 56.38 3ddr n SER 796 Cb 0.35 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 3ddr n SER 796 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ddr s VAL 797 N -1.38 0.48 0.23 -3.33 -7.23 -1.26 -5.12 120.40 102.80 3ddr s VAL 797 Ca 0.09 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.54 3ddr s VAL 797 Cb 0.06 -0.43 -0.13 0.00 0.56 0.00 0.00 36.38 36.43 3ddr s VAL 797 CO 0.03 0.04 1.42 -2.65 -0.31 0.00 0.00 175.10 173.63 3ddr n PRO 798 N 2.66 2.05 0.00 4.82 -0.02 -1.26 -4.81 135.00 138.44 3ddr n PRO 798 Ca -0.15 0.73 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3ddr n PRO 798 Cb 0.57 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3ddr n PRO 798 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ddr n SER 799 N 2.24 0.00 0.04 2.55 7.64 -1.26 -2.16 113.62 122.67 3ddr n SER 799 Ca 0.12 -0.80 0.11 0.00 1.01 0.00 0.00 58.87 59.31 3ddr n SER 799 Cb 0.31 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 3ddr n SER 799 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ddr n ASN 800 N -0.56 0.61 -4.67 6.43 6.94 -1.26 -4.90 115.26 117.85 3ddr n ASN 800 Ca 0.01 -0.09 -0.39 0.00 -0.02 0.00 0.00 54.58 54.09 3ddr n ASN 800 Cb 0.01 0.76 0.04 0.00 -2.36 0.00 0.00 39.78 38.22 3ddr n ASN 800 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3ddr n TYR 801 N -2.09 1.61 0.11 -2.53 4.01 -0.92 -4.91 117.16 112.44 3ddr n TYR 801 Ca 0.01 0.46 -0.02 0.00 -0.16 0.00 0.00 57.90 58.20 3ddr n TYR 801 Cb 0.46 -2.27 0.01 0.00 -0.31 0.00 0.00 39.34 37.23 3ddr n TYR 801 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3ddr h PRO 802 N 1.22 0.00 -4.76 -0.72 0.11 -1.90 -3.41 132.00 122.54 3ddr h PRO 802 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 3ddr h PRO 802 Cb 1.33 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.10 3ddr h PRO 802 CO 0.55 0.74 -0.71 0.71 -0.21 0.00 0.00 178.00 179.08 3ddr s TYR 803 N -2.99 3.32 0.31 0.65 2.02 -1.26 -4.37 117.35 115.03 3ddr s TYR 803 Ca 0.02 -2.08 0.08 0.00 -0.37 0.00 0.00 57.07 54.71 3ddr s TYR 803 Cb 0.10 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 3ddr s TYR 803 CO 0.78 -0.84 0.18 -0.51 -1.57 0.00 0.00 175.55 173.58 3ddr s LEU 804 N 1.19 3.47 -0.69 -1.29 1.43 -1.26 -5.00 118.68 116.53 3ddr s LEU 804 Ca -0.04 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 3ddr s LEU 804 Cb -0.20 -2.00 0.18 0.00 0.03 0.00 0.00 46.19 44.19 3ddr s LEU 804 CO -0.03 -0.21 0.54 0.00 0.23 0.00 0.00 176.35 176.88 3ddr s ALA 805 N -2.31 3.74 -0.55 4.21 0.00 -1.26 -4.77 121.76 120.81 3ddr s ALA 805 Ca 0.37 -3.32 0.06 0.00 0.00 0.00 0.00 51.96 49.06 3ddr s ALA 805 Cb -0.05 -2.87 0.23 0.00 0.00 0.00 0.00 23.12 20.42 3ddr s ALA 805 CO 0.24 -2.16 0.59 -3.47 0.00 0.00 0.00 175.76 170.96 3ddr n ASP 806 N 3.51 2.07 -3.68 0.00 2.03 -1.26 -1.38 116.55 117.83 3ddr n ASP 806 Ca 0.10 -3.05 -0.29 0.00 0.52 0.00 0.00 54.79 52.07 3ddr n ASP 806 Cb 0.40 -0.66 -0.12 0.00 -0.72 0.00 0.00 41.12 40.01 3ddr n ASP 806 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3ddr s TRP 807 N -1.61 2.02 0.86 -0.67 0.51 -0.49 -4.74 118.94 114.82 3ddr s TRP 807 Ca 0.35 -2.50 -0.12 0.00 -2.12 0.00 0.00 56.10 51.72 3ddr s TRP 807 Cb 0.11 -1.83 0.11 0.00 -0.81 0.00 0.00 33.47 31.05 3ddr s TRP 807 CO -0.09 -0.76 1.10 -2.14 -0.51 0.00 0.00 176.95 174.55 3ddr s PRO 808 N 0.12 1.54 0.64 4.98 0.02 -1.26 -0.52 135.00 140.52 3ddr s PRO 808 Ca 0.21 0.64 -0.18 0.00 0.02 0.00 0.00 61.00 61.69 3ddr s PRO 808 Cb -0.18 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 3ddr s PRO 808 CO -0.04 -2.00 0.96 0.36 -0.33 0.00 0.00 177.00 175.95 3ddr n LYS 809 N -3.69 0.78 -3.53 5.54 2.85 -1.22 -4.63 118.16 114.25 3ddr n LYS 809 Ca 0.07 0.31 -0.17 0.00 -1.05 0.00 0.00 58.31 57.47 3ddr n LYS 809 Cb 0.56 -2.19 -0.06 0.00 -0.65 0.00 0.00 35.03 32.70 3ddr n LYS 809 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3ddr s TYR 810 N -1.59 -0.61 -0.08 5.58 -0.85 -1.02 -4.98 117.35 113.80 3ddr s TYR 810 Ca 0.76 1.00 -0.02 0.00 -0.52 0.00 0.00 57.07 58.29 3ddr s TYR 810 Cb -0.39 0.39 0.04 0.00 0.38 0.00 0.00 41.96 42.37 3ddr s TYR 810 CO 0.47 -0.61 0.04 0.99 -1.52 0.00 0.00 175.55 174.92 3ddr s THR 811 N -1.39 0.15 0.01 -3.49 2.01 -1.26 -1.64 115.64 110.03 3ddr s THR 811 Ca -0.10 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.09 3ddr s THR 811 Cb -0.00 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 3ddr s THR 811 CO 0.08 0.13 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.26 3ddr s LEU 812 N 2.06 2.94 -0.20 4.42 1.43 0.25 -4.96 118.68 124.63 3ddr s LEU 812 Ca 0.04 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3ddr s LEU 812 Cb -0.13 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3ddr s LEU 812 CO -0.05 0.28 -0.16 -0.36 0.23 0.00 0.00 176.35 176.29 3ddr s PHE 813 N -0.95 2.87 -0.16 0.29 0.08 -1.26 -1.82 117.98 117.03 3ddr s PHE 813 Ca 0.16 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.59 3ddr s PHE 813 Cb -0.11 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.39 3ddr s PHE 813 CO 0.06 -0.78 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.74 3ddr s ASP 814 N 1.30 3.68 0.07 1.36 1.11 0.23 -0.66 116.67 123.77 3ddr s ASP 814 Ca 0.03 -0.47 -0.02 0.00 0.18 0.00 0.00 52.55 52.27 3ddr s ASP 814 Cb -0.14 -1.57 -0.05 0.00 1.07 0.00 0.00 42.92 42.23 3ddr s ASP 814 CO -0.10 0.08 0.26 -0.76 1.18 0.00 0.00 175.17 175.83 3ddr s LEU 815 N 0.85 4.33 0.07 1.23 1.43 0.25 -0.23 118.68 126.61 3ddr s LEU 815 Ca -0.04 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3ddr s LEU 815 Cb -0.15 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3ddr s LEU 815 CO -0.01 0.15 0.24 -0.72 0.23 0.00 0.00 176.35 176.24 3ddr s TYR 816 N -1.52 0.03 -0.10 0.29 1.13 -0.64 -0.92 117.35 115.62 3ddr s TYR 816 Ca 0.35 -0.33 -0.30 0.00 -1.41 0.00 0.00 57.07 55.38 3ddr s TYR 816 Cb -0.13 0.02 0.08 0.00 -1.10 0.00 0.00 41.96 40.83 3ddr s TYR 816 CO 0.25 -0.52 0.74 0.00 -2.51 0.00 0.00 175.55 173.50 3ddr s ALA 817 N -3.23 -1.80 -0.14 9.51 0.00 0.14 -2.02 121.76 124.22 3ddr s ALA 817 Ca -0.00 1.46 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 3ddr s ALA 817 Cb 0.02 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.92 3ddr s ALA 817 CO -0.08 -0.35 0.31 -1.54 0.00 0.00 0.00 175.76 174.10 3ddr s SER 818 N -0.94 -0.08 -0.10 0.00 1.04 0.12 -1.36 113.70 112.38 3ddr s SER 818 Ca -0.08 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3ddr s SER 818 Cb -0.01 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 3ddr s SER 818 CO 0.07 -0.21 -0.10 -0.47 0.98 0.00 0.00 173.24 173.51 3ddr s TYR 819 N 1.96 2.86 -1.25 5.02 5.04 -0.42 -0.75 117.35 129.82 3ddr s TYR 819 Ca -0.04 -0.29 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 3ddr s TYR 819 Cb -0.11 -1.78 0.16 0.00 0.35 0.00 0.00 41.96 40.58 3ddr s TYR 819 CO -0.10 0.06 1.60 1.63 -1.34 0.00 0.00 175.55 177.40 3ddr n LYS 820 N 2.90 3.40 -0.31 4.97 5.02 0.34 0.04 118.16 134.52 3ddr n LYS 820 Ca -0.18 -3.68 0.24 0.00 -2.02 0.00 0.00 58.31 52.68 3ddr n LYS 820 Cb 0.53 -3.07 0.55 0.00 -0.02 0.00 0.00 35.03 33.01 3ddr n LYS 820 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ddr h LEU 821 N 9.57 0.37 0.00 -0.35 5.85 -1.69 -3.43 115.31 125.63 3ddr h LEU 821 Ca 0.36 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.95 3ddr h LEU 821 Cb 0.81 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3ddr h LEU 821 CO 1.38 0.08 -0.13 0.35 -0.34 0.00 0.00 178.44 179.78 3ddr n THR 822 N -4.55 0.00 0.30 1.05 -2.24 -0.81 -4.94 114.28 103.09 3ddr n THR 822 Ca 0.25 -1.20 0.17 0.00 -2.27 0.00 0.00 64.05 60.99 3ddr n THR 822 Cb 0.92 0.71 0.79 0.00 -2.10 0.00 0.00 70.33 70.64 3ddr n THR 822 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ddr h ASP 823 N 1.26 0.00 0.00 3.42 3.32 -2.01 -3.24 116.42 119.17 3ddr h ASP 823 Ca -0.17 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 3ddr h ASP 823 Cb 0.75 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3ddr h ASP 823 CO 0.23 0.00 -1.40 -1.20 -1.72 0.00 0.00 179.24 175.15 3ddr n SER 824 N -2.81 3.50 -4.74 6.45 7.64 -1.26 -4.85 113.62 117.54 3ddr n SER 824 Ca -0.00 -0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.46 3ddr n SER 824 Cb 0.19 0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3ddr n SER 824 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ddr s LEU 825 N -5.06 4.40 -0.02 -3.43 1.43 -1.22 -0.33 118.68 114.45 3ddr s LEU 825 Ca -0.07 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 3ddr s LEU 825 Cb 0.02 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 43.13 3ddr s LEU 825 CO 0.19 -0.01 -0.03 -0.89 0.23 0.00 0.00 176.35 175.85 3ddr s THR 826 N 0.17 0.32 0.02 5.49 2.01 0.17 -1.85 115.64 121.96 3ddr s THR 826 Ca 0.37 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3ddr s THR 826 Cb -0.19 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 3ddr s THR 826 CO 0.20 0.14 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.50 3ddr s LEU 827 N 0.52 3.41 -0.00 4.42 1.43 0.11 -1.34 118.68 127.22 3ddr s LEU 827 Ca -0.06 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3ddr s LEU 827 Cb -0.09 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3ddr s LEU 827 CO -0.01 0.26 -0.03 -0.13 0.23 0.00 0.00 176.35 176.68 3ddr s ARG 828 N -1.67 0.23 -0.15 1.70 0.52 -0.66 -1.30 118.95 117.62 3ddr s ARG 828 Ca 0.20 -0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.22 3ddr s ARG 828 Cb -0.11 -0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.20 3ddr s ARG 828 CO 0.11 0.06 0.36 0.20 0.02 0.00 0.00 175.30 176.05 3ddr s GLY 829 N -0.09 -0.27 0.09 -3.53 0.00 -0.47 -0.31 107.32 102.74 3ddr s GLY 829 Ca 0.01 1.36 0.02 0.00 0.00 0.00 0.00 44.72 46.10 3ddr s GLY 829 CO -0.00 1.63 -0.07 -1.35 0.00 0.00 0.00 173.10 173.32 3ddr s SER 830 N 1.50 1.09 -0.19 1.64 1.04 0.19 -0.68 113.70 118.29 3ddr s SER 830 Ca -0.08 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 3ddr s SER 830 Cb -0.09 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.16 3ddr s SER 830 CO -0.11 -0.43 -0.04 -0.69 0.98 0.00 0.00 173.24 172.94 3ddr s VAL 831 N -3.31 1.14 0.07 5.02 1.01 -0.10 -1.35 120.40 122.88 3ddr s VAL 831 Ca 0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 3ddr s VAL 831 Cb 0.03 -1.38 -0.11 0.00 0.00 0.00 0.00 36.38 34.92 3ddr s VAL 831 CO -0.04 0.03 1.40 -0.08 0.00 0.00 0.00 175.10 176.41 3ddr h GLU 832 N 8.09 0.54 -2.75 2.72 4.81 -0.98 0.73 114.58 127.74 3ddr h GLU 832 Ca -0.22 -0.27 -0.60 0.00 -0.13 0.00 0.00 59.36 58.13 3ddr h GLU 832 Cb 1.10 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.09 3ddr h GLU 832 CO 0.40 0.85 -0.79 1.21 -0.73 0.00 0.00 179.01 179.95 3ddr s ASN 833 N -6.32 3.09 0.11 1.04 3.84 -1.26 -4.11 114.94 111.34 3ddr s ASN 833 Ca -0.13 -3.11 -0.29 0.00 0.21 0.00 0.00 52.86 49.54 3ddr s ASN 833 Cb 0.07 -0.93 -0.09 0.00 -0.55 0.00 0.00 41.25 39.75 3ddr s ASN 833 CO 0.79 -0.18 1.61 0.25 -2.79 0.00 0.00 177.10 176.78 3ddr h LEU 834 N 5.96 -0.98 0.00 3.21 6.46 -1.10 -1.56 115.31 127.30 3ddr h LEU 834 Ca 0.14 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 3ddr h LEU 834 Cb 0.87 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3ddr h LEU 834 CO 0.49 -0.43 0.00 0.35 -0.62 0.00 0.00 178.44 178.23 3ddr n THR 835 N -5.43 0.39 -3.56 1.05 -2.24 -1.26 -4.79 114.28 98.43 3ddr n THR 835 Ca -0.07 0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 3ddr n THR 835 Cb 0.34 -0.78 0.07 0.00 -2.10 0.00 0.00 70.33 67.87 3ddr n THR 835 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ddr n ASN 836 N -1.27 -6.28 -4.73 3.42 5.15 -0.62 -4.78 115.26 106.15 3ddr n ASN 836 Ca 0.10 -0.53 -0.41 0.00 -0.60 0.00 0.00 54.58 53.14 3ddr n ASN 836 Cb 0.15 -4.95 -0.05 0.00 -0.53 0.00 0.00 39.78 34.40 3ddr n ASN 836 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ddr s ARG 837 N -6.28 4.66 -0.04 1.20 3.52 -1.26 -0.40 118.95 120.35 3ddr s ARG 837 Ca 0.57 1.37 -0.27 0.00 -0.13 0.00 0.00 55.73 57.26 3ddr s ARG 837 Cb -0.25 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3ddr s ARG 837 CO 0.70 0.26 0.86 0.00 -0.81 0.00 0.00 175.30 176.31 3ddr s ALA 838 N -0.12 3.26 0.26 6.12 0.00 -0.12 -3.91 121.76 127.25 3ddr s ALA 838 Ca 0.44 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 3ddr s ALA 838 Cb -0.23 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3ddr s ALA 838 CO 0.28 -0.23 0.68 1.52 0.00 0.00 0.00 175.76 178.01 3ddr s TYR 839 N 1.06 -0.19 -0.09 0.00 1.13 -1.26 -4.71 117.35 113.28 3ddr s TYR 839 Ca 0.45 -0.22 0.01 0.00 -1.41 0.00 0.00 57.07 55.90 3ddr s TYR 839 Cb -0.19 0.64 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 3ddr s TYR 839 CO 0.23 -1.15 -0.12 0.08 -2.51 0.00 0.00 175.55 172.08 3ddr s VAL 840 N -3.90 1.18 0.24 -3.49 1.01 -1.26 -0.89 120.40 113.28 3ddr s VAL 840 Ca 0.10 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 3ddr s VAL 840 Cb -0.05 -1.10 -0.14 0.00 0.00 0.00 0.00 36.38 35.09 3ddr s VAL 840 CO 0.04 0.37 1.22 1.33 0.00 0.00 0.00 175.10 178.07 3ddr n VAL 841 N 4.19 1.28 -1.58 2.92 0.24 -1.26 -4.79 118.33 119.32 3ddr n VAL 841 Ca -0.19 -0.32 -0.49 0.00 -2.04 0.00 0.00 64.34 61.29 3ddr n VAL 841 Cb 0.51 -1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 31.67 3ddr n VAL 841 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3ddr n SER 842 N 1.76 1.40 0.00 -1.34 2.88 -1.26 -0.97 113.62 116.08 3ddr n SER 842 Ca 0.12 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 3ddr n SER 842 Cb 0.30 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3ddr n SER 842 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ddr n TYR 843 N 1.61 0.00 -1.76 0.66 4.19 -1.26 -4.75 117.16 115.85 3ddr n TYR 843 Ca 0.15 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.95 3ddr n TYR 843 Cb 0.24 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 40.07 3ddr n TYR 843 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ddr n GLY 844 N -2.18 1.13 3.60 2.98 0.00 -0.14 -4.06 105.19 106.52 3ddr n GLY 844 Ca 0.00 0.33 -0.54 0.00 0.00 0.00 0.00 46.02 45.81 3ddr n GLY 844 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ddr n GLU 845 N 0.67 1.24 0.20 1.61 2.13 -0.50 -4.82 120.64 121.17 3ddr n GLU 845 Ca 0.03 0.42 0.07 0.00 0.66 0.00 0.00 57.16 58.34 3ddr n GLU 845 Cb 0.38 -2.28 0.37 0.00 0.27 0.00 0.00 31.44 30.18 3ddr n GLU 845 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3ddr h THR 846 N 5.96 0.79 0.00 6.31 1.35 -1.88 0.63 112.91 126.06 3ddr h THR 846 Ca -0.39 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 3ddr h THR 846 Cb 1.32 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3ddr h THR 846 CO 0.98 0.32 -0.05 0.25 -0.25 0.00 0.00 175.52 176.78 3ddr h LEU 847 N 0.00 0.00 0.00 3.87 5.85 -1.88 -2.81 115.31 120.35 3ddr h LEU 847 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ddr h LEU 847 Cb 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3ddr h LEU 847 CO 0.04 0.05 -1.10 0.00 -0.34 0.00 0.00 178.44 177.09 3ddr n ALA 848 N -2.32 2.27 -3.90 1.25 0.00 -1.14 -2.64 120.51 114.04 3ddr n ALA 848 Ca -0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 3ddr n ALA 848 Cb 0.14 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.42 3ddr n ALA 848 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ddr n ASN 849 N -1.60 -3.55 -4.52 0.00 5.15 0.20 -4.57 115.26 106.37 3ddr n ASN 849 Ca -0.01 -1.01 -0.43 0.00 -0.60 0.00 0.00 54.58 52.54 3ddr n ASN 849 Cb 0.13 -1.31 -0.07 0.00 -0.53 0.00 0.00 39.78 38.01 3ddr n ASN 849 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3ddr s THR 850 N -3.50 4.83 0.78 -0.44 -4.23 -1.26 -5.05 115.64 106.78 3ddr s THR 850 Ca 0.29 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 3ddr s THR 850 Cb -0.16 -4.19 -0.00 0.00 1.34 0.00 0.00 72.50 69.48 3ddr s THR 850 CO 0.79 -0.57 0.63 0.18 -0.54 0.00 0.00 174.62 175.11 3ddr n LEU 851 N 6.24 1.33 -4.94 4.79 4.32 -1.26 -4.72 117.00 122.77 3ddr n LEU 851 Ca -0.02 0.54 -0.25 0.00 -0.02 0.00 0.00 56.01 56.27 3ddr n LEU 851 Cb 0.48 -1.27 0.05 0.00 -1.62 0.00 0.00 43.42 41.06 3ddr n LEU 851 CO 0.53 -2.94 0.53 -0.83 -1.22 0.00 0.00 177.39 173.47 3ddr s GLY 852 N -1.68 1.70 0.35 -0.72 0.00 -0.07 -4.96 107.32 101.94 3ddr s GLY 852 Ca 0.65 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 44.11 3ddr s GLY 852 CO 0.58 -0.63 1.42 0.54 0.00 0.00 0.00 173.10 175.01 3ddr n ARG 853 N -2.69 2.44 -1.24 2.90 1.74 -1.26 -3.18 116.66 115.36 3ddr n ARG 853 Ca 0.07 0.86 -0.16 0.00 -0.77 0.00 0.00 57.85 57.85 3ddr n ARG 853 Cb 0.60 -2.53 0.11 0.00 -1.02 0.00 0.00 32.46 29.61 3ddr n ARG 853 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ddr n GLY 854 N 0.82 -0.85 2.92 -0.13 0.00 -0.43 -4.46 105.19 103.07 3ddr n GLY 854 Ca 0.04 -1.77 -0.52 0.00 0.00 0.00 0.00 46.02 43.77 3ddr n GLY 854 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ddr n ARG 855 N -2.48 0.00 -4.02 1.61 0.63 -1.02 -4.23 116.66 107.15 3ddr n ARG 855 Ca 0.09 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.72 3ddr n ARG 855 Cb 0.33 -1.34 -0.16 0.00 0.45 0.00 0.00 32.46 31.75 3ddr n ARG 855 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ddr s THR 856 N 5.66 1.74 -0.14 5.15 2.01 -1.26 -4.84 115.64 123.96 3ddr s THR 856 Ca 1.09 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 3ddr s THR 856 Cb -1.31 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 3ddr s THR 856 CO 0.57 0.23 0.34 -0.69 -0.69 0.00 0.00 174.62 174.38 3ddr s VAL 857 N 1.36 5.26 -0.10 3.82 1.01 -1.26 -0.38 120.40 130.11 3ddr s VAL 857 Ca -0.01 0.65 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 3ddr s VAL 857 Cb -0.16 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.59 3ddr s VAL 857 CO -0.09 0.40 0.48 0.00 0.00 0.00 0.00 175.10 175.89 3ddr s GLN 858 N 0.33 0.72 0.21 2.72 -2.07 -0.46 -1.26 119.66 119.86 3ddr s GLN 858 Ca 0.19 0.31 -0.12 0.00 -1.82 0.00 0.00 55.36 53.92 3ddr s GLN 858 Cb -0.14 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.12 3ddr s GLN 858 CO 0.06 -0.17 0.41 0.20 -1.32 0.00 0.00 175.29 174.48 3ddr s GLY 859 N -0.58 0.46 0.25 2.60 0.00 -0.94 0.53 107.32 109.65 3ddr s GLY 859 Ca -0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 3ddr s GLY 859 CO 0.04 -0.67 0.51 0.61 0.00 0.00 0.00 173.10 173.59 3ddr n GLY 860 N -0.32 1.33 2.99 0.20 0.00 0.58 -2.54 105.19 107.42 3ddr n GLY 860 Ca -0.04 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3ddr n GLY 860 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddr s VAL 861 N -2.42 1.30 -0.09 1.61 1.01 0.11 -1.65 120.40 120.27 3ddr s VAL 861 Ca 0.10 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3ddr s VAL 861 Cb -0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3ddr s VAL 861 CO 0.07 0.41 -0.13 -0.70 0.00 0.00 0.00 175.10 174.76 3ddr s GLU 862 N 1.30 2.97 -0.30 2.72 2.12 -0.45 -2.05 118.70 125.01 3ddr s GLU 862 Ca -0.01 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.66 3ddr s GLU 862 Cb -0.14 -2.53 0.09 0.00 0.26 0.00 0.00 34.13 31.81 3ddr s GLU 862 CO -0.05 0.43 0.02 -0.47 -0.54 0.00 0.00 175.26 174.65 3ddr s TYR 863 N -0.21 2.77 0.81 5.30 5.04 0.14 -0.66 117.35 130.54 3ddr s TYR 863 Ca 0.01 -2.25 -0.10 0.00 -2.44 0.00 0.00 57.07 52.29 3ddr s TYR 863 Cb -0.13 -2.14 0.12 0.00 0.35 0.00 0.00 41.96 40.15 3ddr s TYR 863 CO 0.03 -0.87 1.14 1.03 -1.34 0.00 0.00 175.55 175.54 3ddr s ARG 864 N 1.25 1.60 0.00 4.97 0.52 0.56 -2.25 118.95 125.60 3ddr s ARG 864 Ca 0.04 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3ddr s ARG 864 Cb -0.19 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3ddr s ARG 864 CO -0.12 -1.70 0.00 1.97 0.02 0.00 0.00 175.30 175.47