#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afr s LEU 124 N 0.00 4.11 1.16 -5.58 1.43 -1.26 -5.03 118.68 113.52 3afr s LEU 124 Ca 0.00 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.55 3afr s LEU 124 Cb 0.00 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 42.95 3afr s LEU 124 CO 0.00 -0.87 1.06 -0.94 0.23 0.00 0.00 176.35 175.83 3afr s SER 125 N 2.35 1.16 0.25 2.29 1.04 -1.26 -4.81 113.70 114.72 3afr s SER 125 Ca 0.57 1.02 0.06 0.00 0.48 0.00 0.00 55.95 58.08 3afr s SER 125 Cb -0.21 -1.55 0.29 0.00 0.10 0.00 0.00 66.02 64.65 3afr s SER 125 CO 0.18 -4.02 1.58 -0.33 0.98 0.00 0.00 173.24 171.63 3afr h GLU 126 N -2.50 0.20 -0.50 4.02 4.39 -1.99 -2.51 114.58 115.68 3afr h GLU 126 Ca -0.52 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 58.99 3afr h GLU 126 Cb 1.32 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 3afr h GLU 126 CO 0.45 0.73 0.08 1.49 -1.16 0.00 0.00 179.01 180.60 3afr h GLU 127 N 0.15 0.83 -0.16 2.33 4.81 -1.99 -1.10 114.58 119.46 3afr h GLU 127 Ca -0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 3afr h GLU 127 Cb 1.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3afr h GLU 127 CO 0.09 0.83 -0.22 1.96 -0.73 0.00 0.00 179.01 180.94 3afr h GLN 128 N 0.71 0.28 0.00 1.92 4.20 -1.88 -0.38 115.11 119.95 3afr h GLN 128 Ca 0.15 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3afr h GLN 128 Cb 0.40 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3afr h GLN 128 CO 0.01 0.49 -0.56 1.96 -0.67 0.00 0.00 178.83 180.05 3afr h GLN 129 N 0.25 0.00 0.09 1.46 4.20 -1.15 -2.64 115.11 117.32 3afr h GLN 129 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3afr h GLN 129 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3afr h GLN 129 CO 0.04 0.56 -0.05 1.25 -0.67 0.00 0.00 178.83 179.96 3afr h HIS 130 N 0.00 -0.12 -0.43 2.96 2.76 -0.18 -1.78 115.15 118.36 3afr h HIS 130 Ca -0.01 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3afr h HIS 130 Cb 1.11 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 30.03 3afr h HIS 130 CO 0.00 0.20 -0.02 0.82 -1.30 0.00 0.00 177.93 177.64 3afr h ILE 131 N -0.45 0.65 -0.43 6.26 2.04 -1.00 -0.53 117.51 124.05 3afr h ILE 131 Ca -0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3afr h ILE 131 Cb 0.37 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3afr h ILE 131 CO 0.02 0.02 0.24 0.40 0.00 0.00 0.00 178.15 178.83 3afr h ILE 132 N 0.09 1.16 -0.30 -0.67 2.04 -1.45 -0.50 117.51 117.87 3afr h ILE 132 Ca 0.21 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3afr h ILE 132 Cb 0.31 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3afr h ILE 132 CO -0.37 0.17 0.05 0.00 0.00 0.00 0.00 178.15 177.99 3afr h ALA 133 N 1.09 0.30 -0.18 1.87 0.00 -0.66 0.55 119.26 122.24 3afr h ALA 133 Ca 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3afr h ALA 133 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3afr h ALA 133 CO -0.02 -0.36 0.10 0.82 0.00 0.00 0.00 179.25 179.79 3afr h ILE 134 N 0.15 1.09 -0.72 0.00 1.08 -0.84 -2.00 117.51 116.28 3afr h ILE 134 Ca 0.14 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 3afr h ILE 134 Cb 0.16 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3afr h ILE 134 CO -0.20 0.09 0.20 -0.07 -0.69 0.00 0.00 178.15 177.48 3afr h LEU 135 N 0.20 1.07 -0.32 1.44 3.38 -0.78 0.19 115.31 120.48 3afr h LEU 135 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3afr h LEU 135 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3afr h LEU 135 CO -0.01 1.01 0.18 -0.07 0.09 0.00 0.00 178.44 179.64 3afr h LEU 136 N 1.08 0.40 -0.29 1.67 3.38 -0.80 -1.89 115.31 118.86 3afr h LEU 136 Ca 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3afr h LEU 136 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3afr h LEU 136 CO -0.00 0.36 0.11 -0.78 0.09 0.00 0.00 178.44 178.22 3afr h ASP 137 N 0.40 0.40 -0.71 -0.43 1.82 -0.97 -1.21 116.42 115.73 3afr h ASP 137 Ca 0.11 -0.17 0.09 0.00 -0.39 0.00 0.00 57.03 56.67 3afr h ASP 137 Cb 0.05 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 39.91 3afr h ASP 137 CO -0.02 0.46 0.47 0.00 -1.61 0.00 0.00 179.24 178.54 3afr h ALA 138 N 0.96 1.82 -0.09 -0.78 0.00 -0.50 -1.16 119.26 119.50 3afr h ALA 138 Ca 0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 3afr h ALA 138 Cb 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3afr h ALA 138 CO -0.01 0.05 -0.85 1.25 0.00 0.00 0.00 179.25 179.68 3afr h HIS 139 N 0.64 0.96 0.00 0.00 -0.00 -0.98 -2.90 115.15 112.88 3afr h HIS 139 Ca 0.32 -0.46 -0.05 0.00 -0.00 0.00 0.00 60.37 60.18 3afr h HIS 139 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 3afr h HIS 139 CO -0.00 1.28 -0.25 0.45 -0.00 0.00 0.00 177.93 179.41 3afr h HIS 140 N 0.45 0.00 -0.00 5.26 3.86 -0.31 -0.33 115.15 124.07 3afr h HIS 140 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3afr h HIS 140 Cb 1.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.95 3afr h HIS 140 CO 0.08 0.25 -0.27 1.63 0.86 0.00 0.00 177.93 180.49 3afr n LYS 141 N -4.09 0.45 0.00 2.45 5.02 -0.53 -3.99 118.16 117.47 3afr n LYS 141 Ca -0.02 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3afr n LYS 141 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3afr n LYS 141 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3afr n THR 142 N -1.09 0.23 -3.67 -0.18 -2.24 -0.86 -4.95 114.28 101.53 3afr n THR 142 Ca 0.10 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3afr n THR 142 Cb 0.32 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 3afr n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3afr s TYR 143 N -0.23 0.97 -0.56 4.78 6.14 -0.19 -4.82 117.35 123.43 3afr s TYR 143 Ca 0.00 -1.09 -0.23 0.00 0.64 0.00 0.00 57.07 56.39 3afr s TYR 143 Cb 0.00 -1.18 0.05 0.00 0.42 0.00 0.00 41.96 41.25 3afr s TYR 143 CO 0.00 -0.75 0.88 0.34 0.64 0.00 0.00 175.55 176.67 3afr s ASP 144 N 1.87 6.28 0.00 4.32 2.15 -1.26 -4.75 116.67 125.29 3afr s ASP 144 Ca 0.06 -0.58 0.09 0.00 0.43 0.00 0.00 52.55 52.54 3afr s ASP 144 Cb -0.17 -2.40 0.41 0.00 -0.30 0.00 0.00 42.92 40.46 3afr s ASP 144 CO -0.22 -1.20 1.19 -0.81 -0.17 0.00 0.00 175.17 173.96 3afr n PRO 145 N 7.26 0.08 0.00 4.34 -0.04 -1.26 -0.96 135.00 144.41 3afr n PRO 145 Ca -0.01 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3afr n PRO 145 Cb 0.47 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3afr n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3afr n THR 146 N -1.36 0.00 -4.07 0.52 -2.24 -1.26 -4.92 114.28 100.95 3afr n THR 146 Ca 0.03 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 3afr n THR 146 Cb 0.08 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 3afr n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3afr n TYR 147 N -1.50 -1.95 0.05 4.78 4.02 -0.14 -4.86 117.16 117.57 3afr n TYR 147 Ca 0.05 0.82 0.03 0.00 -0.01 0.00 0.00 57.90 58.78 3afr n TYR 147 Cb 0.33 -3.30 0.39 0.00 -0.02 0.00 0.00 39.34 36.75 3afr n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3afr h ALA 148 N 0.94 1.57 0.00 -0.72 0.00 -1.93 -2.95 119.26 116.17 3afr h ALA 148 Ca -0.58 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3afr h ALA 148 Cb 1.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3afr h ALA 148 CO 0.73 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 180.06 3afr n ASP 149 N -4.37 0.37 0.30 0.00 8.00 -1.26 -3.43 116.55 116.16 3afr n ASP 149 Ca 0.01 0.58 0.19 0.00 0.71 0.00 0.00 54.79 56.27 3afr n ASP 149 Cb 0.18 -0.66 0.98 0.00 -0.02 0.00 0.00 41.12 41.60 3afr n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3afr h PHE 150 N 0.00 0.00 0.00 1.24 -1.00 -1.91 0.71 116.94 115.98 3afr h PHE 150 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3afr h PHE 150 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3afr h PHE 150 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 3afr h ARG 151 N 0.00 0.00 0.00 1.51 3.08 -1.81 -2.36 114.38 114.80 3afr h ARG 151 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3afr h ARG 151 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3afr h ARG 151 CO -0.00 0.00 -0.30 -0.25 -1.07 0.00 0.00 179.97 178.35 3afr n ASP 152 N -2.80 0.67 -4.81 7.04 8.00 0.24 -4.89 116.55 119.99 3afr n ASP 152 Ca 0.00 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 3afr n ASP 152 Cb 0.22 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 3afr n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3afr s PHE 153 N -3.11 3.07 0.29 1.24 2.99 -0.89 -4.97 117.98 116.61 3afr s PHE 153 Ca 0.09 1.50 -0.30 0.00 0.00 0.00 0.00 56.93 58.22 3afr s PHE 153 Cb 0.14 -2.96 -0.12 0.00 0.00 0.00 0.00 43.02 40.07 3afr s PHE 153 CO 0.65 -1.01 1.50 0.54 -0.00 0.00 0.00 175.22 176.90 3afr n ARG 154 N -2.05 2.47 -1.69 0.44 1.74 -1.26 -4.87 116.66 111.43 3afr n ARG 154 Ca 0.08 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.62 3afr n ARG 154 Cb 0.53 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3afr n ARG 154 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3afr n PRO 155 N 1.75 1.94 -2.61 5.56 -0.04 -1.26 -3.73 135.00 136.61 3afr n PRO 155 Ca 0.08 0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 63.84 3afr n PRO 155 Cb 0.36 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3afr n PRO 155 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3afr s PRO 156 N -2.01 4.56 -0.18 0.54 0.04 -1.26 -4.42 135.00 132.27 3afr s PRO 156 Ca 0.58 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3afr s PRO 156 Cb -0.55 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.05 3afr s PRO 156 CO 0.60 0.21 -0.13 0.08 0.04 0.00 0.00 177.00 177.80 3afr s VAL 157 N -1.37 1.70 -0.19 -0.36 1.01 -1.23 -5.08 120.40 114.87 3afr s VAL 157 Ca 0.48 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3afr s VAL 157 Cb -0.26 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3afr s VAL 157 CO 0.32 0.31 -0.13 -0.13 0.00 0.00 0.00 175.10 175.47 3afr s ARG 158 N 1.40 3.19 0.00 2.72 0.52 -1.26 -3.88 118.95 121.63 3afr s ARG 158 Ca 0.01 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3afr s ARG 158 Cb -0.15 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3afr s ARG 158 CO -0.10 -0.16 0.00 -1.33 0.02 0.00 0.00 175.30 173.73 3afr n MET 159 N 4.58 0.00 -2.87 3.54 2.81 -1.26 -5.18 117.12 118.74 3afr n MET 159 Ca -0.20 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.66 3afr n MET 159 Cb 0.51 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.03 3afr n MET 159 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3afr n SER 218 N 0.00 -6.73 0.00 7.83 2.88 -1.26 -5.19 113.62 111.15 3afr n SER 218 Ca 0.00 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3afr n SER 218 Cb 0.00 -4.65 0.02 0.00 -0.75 0.00 0.00 64.21 58.82 3afr n SER 218 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3afr n PRO 219 N -1.97 0.03 -1.32 -1.46 -0.02 -1.26 -1.27 135.00 127.73 3afr n PRO 219 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.49 3afr n PRO 219 Cb 0.52 -1.33 0.09 0.00 -0.02 0.00 0.00 33.50 32.76 3afr n PRO 219 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3afr n LEU 220 N -0.83 1.84 0.28 2.45 4.77 -1.25 -4.02 117.00 120.26 3afr n LEU 220 Ca 0.00 -2.89 0.17 0.00 -0.03 0.00 0.00 56.01 53.27 3afr n LEU 220 Cb 0.00 -0.16 0.81 0.00 -2.33 0.00 0.00 43.42 41.73 3afr n LEU 220 CO 0.00 0.94 1.02 0.77 -1.33 0.00 0.00 177.39 178.79 3afr h SER 221 N 1.19 0.00 0.01 -1.43 4.64 -1.02 -2.48 113.55 114.46 3afr h SER 221 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3afr h SER 221 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3afr h SER 221 CO 0.11 0.05 -0.30 0.23 -0.87 0.00 0.00 176.83 176.05 3afr n MET 222 N -3.24 1.49 -0.10 4.77 2.81 -0.55 -3.55 117.12 118.75 3afr n MET 222 Ca -0.01 -1.18 -0.09 0.00 -1.81 0.00 0.00 57.70 54.61 3afr n MET 222 Cb 0.25 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3afr n MET 222 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3afr h LEU 223 N 2.88 0.39 -0.01 4.03 5.85 -1.37 -1.54 115.31 125.54 3afr h LEU 223 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3afr h LEU 223 Cb 0.77 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3afr h LEU 223 CO 0.00 0.36 -0.17 -0.65 -0.34 0.00 0.00 178.44 177.65 3afr h PRO 224 N 0.39 -0.26 0.05 5.25 0.11 -1.80 0.20 132.00 135.94 3afr h PRO 224 Ca 0.11 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3afr h PRO 224 Cb 0.06 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3afr h PRO 224 CO -0.02 -0.18 -0.03 1.25 -0.21 0.00 0.00 178.00 178.82 3afr h HIS 225 N -0.27 -0.08 -0.18 0.65 -0.00 -1.63 -1.92 115.15 111.72 3afr h HIS 225 Ca 0.06 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.32 3afr h HIS 225 Cb 0.35 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3afr h HIS 225 CO -0.22 -0.05 -0.35 -0.07 -0.00 0.00 0.00 177.93 177.24 3afr h LEU 226 N -0.08 0.40 -0.60 0.26 3.38 -1.17 -1.00 115.31 116.50 3afr h LEU 226 Ca -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3afr h LEU 226 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3afr h LEU 226 CO 0.00 0.72 0.28 0.00 0.09 0.00 0.00 178.44 179.53 3afr h ALA 227 N 1.30 0.77 -0.62 1.53 0.00 -0.47 0.14 119.26 121.91 3afr h ALA 227 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3afr h ALA 227 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3afr h ALA 227 CO 0.06 0.35 0.22 -0.44 0.00 0.00 0.00 179.25 179.44 3afr h ASP 228 N 0.82 0.88 -0.57 0.00 3.45 -1.02 0.83 116.42 120.82 3afr h ASP 228 Ca 0.20 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3afr h ASP 228 Cb 0.14 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 3afr h ASP 228 CO -0.02 0.83 0.36 0.25 -1.57 0.00 0.00 179.24 179.09 3afr h LEU 229 N 0.88 0.67 -0.45 1.55 5.85 -0.64 -0.12 115.31 123.05 3afr h LEU 229 Ca 0.20 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3afr h LEU 229 Cb 0.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3afr h LEU 229 CO -0.01 0.51 0.01 0.58 -0.34 0.00 0.00 178.44 179.19 3afr h VAL 230 N 0.77 1.26 -0.44 1.05 2.07 -0.38 -0.72 116.25 119.85 3afr h VAL 230 Ca 0.21 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3afr h VAL 230 Cb -0.05 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3afr h VAL 230 CO -0.04 0.35 0.24 -1.28 0.02 0.00 0.00 177.57 176.86 3afr h SER 231 N 0.63 0.55 -0.46 0.57 0.87 -0.53 0.11 113.55 115.30 3afr h SER 231 Ca 0.13 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3afr h SER 231 Cb 0.47 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3afr h SER 231 CO 0.02 0.49 0.29 0.22 -0.53 0.00 0.00 176.83 177.32 3afr h TYR 232 N 0.57 0.55 -0.05 2.24 3.20 -0.93 -2.53 116.97 120.02 3afr h TYR 232 Ca 0.15 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3afr h TYR 232 Cb 0.06 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3afr h TYR 232 CO -0.02 0.33 -0.31 0.77 -1.64 0.00 0.00 178.16 177.29 3afr h SER 233 N 0.59 0.09 -0.72 -2.11 0.02 -0.55 -2.01 113.55 108.86 3afr h SER 233 Ca 0.18 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3afr h SER 233 Cb -0.03 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3afr h SER 233 CO -0.06 0.40 0.24 0.40 -1.14 0.00 0.00 176.83 176.67 3afr h ILE 234 N 0.08 1.26 -0.59 3.27 2.04 -0.38 -0.39 117.51 122.80 3afr h ILE 234 Ca 0.01 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3afr h ILE 234 Cb 0.59 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3afr h ILE 234 CO 0.04 0.34 0.32 1.56 0.00 0.00 0.00 178.15 180.42 3afr h GLN 235 N 1.06 0.82 -0.54 2.37 4.20 -1.06 -1.67 115.11 120.28 3afr h GLN 235 Ca 0.23 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3afr h GLN 235 Cb 0.29 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3afr h GLN 235 CO -0.01 0.62 0.04 0.87 -0.67 0.00 0.00 178.83 179.69 3afr h LYS 236 N 0.79 0.88 -0.48 1.46 1.79 -1.03 -1.55 116.57 118.44 3afr h LYS 236 Ca 0.21 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 3afr h LYS 236 Cb 0.04 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3afr h LYS 236 CO -0.03 0.85 -0.03 0.28 -1.08 0.00 0.00 179.45 179.43 3afr h VAL 237 N 0.83 1.25 -0.27 0.50 2.07 -0.68 -1.18 116.25 118.77 3afr h VAL 237 Ca 0.16 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3afr h VAL 237 Cb 0.43 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3afr h VAL 237 CO 0.02 0.38 0.08 0.40 0.02 0.00 0.00 177.57 178.46 3afr h ILE 238 N 0.76 1.20 -0.48 4.57 2.04 -0.96 0.91 117.51 125.55 3afr h ILE 238 Ca 0.14 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.37 3afr h ILE 238 Cb 0.51 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3afr h ILE 238 CO 0.03 0.21 0.32 1.23 0.00 0.00 0.00 178.15 179.94 3afr h GLY 239 N 0.27 0.64 0.50 5.37 0.00 -0.97 -1.41 103.07 107.45 3afr h GLY 239 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3afr h GLY 239 CO -0.00 0.21 -0.05 -2.75 0.00 0.00 0.00 176.54 173.95 3afr h PHE 240 N 0.58 -0.13 -0.78 5.60 3.57 -0.81 -3.29 116.94 121.68 3afr h PHE 240 Ca 0.19 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.84 3afr h PHE 240 Cb 0.03 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.71 3afr h PHE 240 CO -0.00 0.31 0.29 0.00 -2.23 0.00 0.00 178.31 176.69 3afr h ALA 241 N 0.13 1.12 -0.03 2.41 0.00 -0.22 -0.67 119.26 122.00 3afr h ALA 241 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3afr h ALA 241 Cb 0.51 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3afr h ALA 241 CO 0.02 -0.26 0.04 0.87 0.00 0.00 0.00 179.25 179.92 3afr h LYS 242 N 0.40 0.00 -0.02 0.00 1.57 -1.34 -1.51 116.57 115.67 3afr h LYS 242 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3afr h LYS 242 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3afr h LYS 242 CO -0.45 0.00 -0.01 -1.33 -0.57 0.00 0.00 179.45 177.09 3afr n MET 243 N -3.81 1.77 -2.10 3.15 2.81 -0.26 -4.67 117.12 114.00 3afr n MET 243 Ca -0.02 -1.14 -0.42 0.00 -1.81 0.00 0.00 57.70 54.31 3afr n MET 243 Cb 0.13 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.13 3afr n MET 243 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3afr s ILE 244 N -2.02 3.34 -0.04 2.02 1.01 -0.57 -4.80 121.20 120.14 3afr s ILE 244 Ca 0.36 0.82 -0.33 0.00 0.00 0.00 0.00 60.65 61.50 3afr s ILE 244 Cb 0.21 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 3afr s ILE 244 CO 0.34 0.02 1.89 -2.65 0.00 0.00 0.00 174.94 174.53 3afr n PRO 245 N 5.06 2.37 0.00 2.79 -0.02 -1.26 -1.24 135.00 142.71 3afr n PRO 245 Ca 0.14 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3afr n PRO 245 Cb 0.42 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3afr n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3afr n GLY 246 N 4.40 3.49 0.35 -1.23 0.00 -1.26 -4.92 105.19 106.02 3afr n GLY 246 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3afr n GLY 246 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3afr h PHE 247 N 0.00 0.80 -0.32 1.61 3.57 -1.49 -2.00 116.94 119.11 3afr h PHE 247 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3afr h PHE 247 Cb 0.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3afr h PHE 247 CO 0.00 0.44 0.21 0.07 -2.23 0.00 0.00 178.31 176.81 3afr h ARG 248 N 0.81 0.38 0.00 1.11 0.11 -1.83 -2.04 114.38 112.91 3afr h ARG 248 Ca 0.30 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3afr h ARG 248 Cb 0.15 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3afr h ARG 248 CO -0.09 0.25 0.00 -0.25 0.10 0.00 0.00 179.97 179.98 3afr n ASP 249 N -4.49 0.00 -4.88 0.08 8.00 -0.75 -4.77 116.55 109.74 3afr n ASP 249 Ca 0.02 -0.24 -0.29 0.00 0.71 0.00 0.00 54.79 54.99 3afr n ASP 249 Cb 0.10 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3afr n ASP 249 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3afr s LEU 250 N -2.34 3.72 0.81 0.64 1.43 -0.77 -5.07 118.68 117.10 3afr s LEU 250 Ca 0.23 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 3afr s LEU 250 Cb 0.13 -4.01 0.08 0.00 0.03 0.00 0.00 46.19 42.42 3afr s LEU 250 CO 0.27 -0.50 1.11 0.42 0.23 0.00 0.00 176.35 177.88 3afr s THR 251 N -2.56 2.84 0.15 5.49 -4.23 -1.26 -4.87 115.64 111.19 3afr s THR 251 Ca 0.50 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.13 3afr s THR 251 Cb -0.10 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.70 3afr s THR 251 CO 0.37 -0.35 1.74 -1.28 -0.54 0.00 0.00 174.62 174.56 3afr h SER 252 N -1.13 0.56 -0.20 3.99 0.87 -1.97 -1.51 113.55 114.16 3afr h SER 252 Ca -0.47 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 59.91 3afr h SER 252 Cb 1.28 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3afr h SER 252 CO 0.61 0.51 -0.08 0.44 -0.53 0.00 0.00 176.83 177.77 3afr h ASP 253 N 0.57 0.53 0.36 6.23 5.19 -2.00 -1.72 116.42 125.58 3afr h ASP 253 Ca 0.15 -0.13 -0.19 0.00 -0.62 0.00 0.00 57.03 56.24 3afr h ASP 253 Cb 0.08 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3afr h ASP 253 CO -0.02 0.66 -0.80 0.44 -3.12 0.00 0.00 179.24 176.40 3afr h ASP 254 N 0.52 0.42 -0.70 6.45 3.45 -1.88 -2.60 116.42 122.07 3afr h ASP 254 Ca 0.10 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 3afr h ASP 254 Cb 0.46 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 3afr h ASP 254 CO 0.02 1.06 0.23 1.56 -1.57 0.00 0.00 179.24 180.54 3afr h GLN 255 N 0.22 1.08 -0.47 3.56 4.20 -0.93 -1.67 115.11 121.11 3afr h GLN 255 Ca -0.04 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 3afr h GLN 255 Cb 1.39 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3afr h GLN 255 CO 0.13 0.93 0.15 0.82 -0.67 0.00 0.00 178.83 180.19 3afr h ILE 256 N 1.03 1.22 -0.62 2.54 2.04 -1.26 -1.96 117.51 120.50 3afr h ILE 256 Ca 0.23 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3afr h ILE 256 Cb 0.29 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3afr h ILE 256 CO -0.01 0.27 0.09 0.58 0.00 0.00 0.00 178.15 179.08 3afr h VAL 257 N 0.62 1.26 -0.30 1.67 2.07 -1.25 -0.47 116.25 119.85 3afr h VAL 257 Ca 0.15 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3afr h VAL 257 Cb 0.26 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3afr h VAL 257 CO -0.01 0.37 0.01 -0.07 0.02 0.00 0.00 177.57 177.90 3afr h LEU 258 N 0.95 0.50 -0.48 2.57 3.38 -1.15 -2.78 115.31 118.31 3afr h LEU 258 Ca 0.19 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3afr h LEU 258 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3afr h LEU 258 CO 0.01 0.68 -0.21 -0.07 0.09 0.00 0.00 178.44 178.94 3afr h LEU 259 N 0.31 1.02 -1.13 1.67 -0.00 -1.23 -1.78 115.31 114.18 3afr h LEU 259 Ca 0.09 -0.40 -0.04 0.00 -0.00 0.00 0.00 57.88 57.53 3afr h LEU 259 Cb 0.41 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.77 3afr h LEU 259 CO 0.01 1.19 0.19 0.50 -0.00 0.00 0.00 178.44 180.33 3afr h LYS 260 N 0.85 0.81 0.00 1.13 3.64 -1.08 -0.84 116.57 121.08 3afr h LYS 260 Ca 0.11 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 3afr h LYS 260 Cb 0.79 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 3afr h LYS 260 CO 0.07 0.69 -1.22 0.66 -2.27 0.00 0.00 179.45 177.37 3afr h SER 261 N 0.79 0.00 0.53 4.20 4.64 -1.46 -3.38 113.55 118.87 3afr h SER 261 Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3afr h SER 261 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3afr h SER 261 CO -0.01 0.71 -1.48 -1.54 -0.87 0.00 0.00 176.83 173.64 3afr n SER 262 N -3.06 0.45 -0.29 4.97 3.41 -0.67 -4.65 113.62 113.78 3afr n SER 262 Ca -0.07 0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 3afr n SER 262 Cb 0.88 1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 65.91 3afr n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3afr h ALA 263 N 1.99 -0.49 -0.69 7.33 0.00 -1.33 0.27 119.26 126.33 3afr h ALA 263 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3afr h ALA 263 Cb 1.02 1.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 3afr h ALA 263 CO 0.00 -0.80 0.46 0.97 0.00 0.00 0.00 179.25 179.87 3afr h ILE 264 N -0.06 1.11 -0.44 0.00 6.09 -1.86 -0.50 117.51 121.84 3afr h ILE 264 Ca 0.11 -0.29 -0.08 0.00 -1.37 0.00 0.00 64.86 63.23 3afr h ILE 264 Cb 0.36 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 3afr h ILE 264 CO -0.70 0.15 -0.03 -0.33 -3.07 0.00 0.00 178.15 174.18 3afr h GLU 265 N 0.85 0.80 -0.13 2.19 5.08 -1.15 -0.74 114.58 121.48 3afr h GLU 265 Ca 0.27 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3afr h GLU 265 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3afr h GLU 265 CO -0.07 0.88 -0.49 0.28 -1.00 0.00 0.00 179.01 178.61 3afr h VAL 266 N 0.64 1.33 -0.71 3.13 2.07 -0.07 -0.37 116.25 122.28 3afr h VAL 266 Ca 0.12 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 3afr h VAL 266 Cb 0.54 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3afr h VAL 266 CO 0.03 0.52 0.18 0.40 0.02 0.00 0.00 177.57 178.71 3afr h ILE 267 N 0.27 1.26 -0.50 4.57 2.04 -0.91 0.41 117.51 124.65 3afr h ILE 267 Ca 0.01 -0.96 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 3afr h ILE 267 Cb 0.96 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3afr h ILE 267 CO 0.08 0.37 -0.05 0.24 0.00 0.00 0.00 178.15 178.79 3afr h MET 268 N 1.07 0.92 -0.00 2.37 2.86 -0.71 -0.70 114.93 120.73 3afr h MET 268 Ca 0.22 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3afr h MET 268 Cb 0.36 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3afr h MET 268 CO 0.00 0.97 -0.00 -0.07 1.06 0.00 0.00 176.91 178.87 3afr h LEU 269 N 0.78 0.01 -1.82 1.22 3.38 -0.68 -3.04 115.31 115.16 3afr h LEU 269 Ca 0.14 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3afr h LEU 269 Cb 0.59 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3afr h LEU 269 CO 0.04 0.32 -0.15 0.08 0.09 0.00 0.00 178.44 178.82 3afr h ARG 270 N -0.30 0.00 0.00 1.13 0.11 -0.14 -1.75 114.38 113.42 3afr h ARG 270 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3afr h ARG 270 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3afr h ARG 270 CO 0.00 0.15 0.00 0.66 0.10 0.00 0.00 179.97 180.88 3afr h SER 271 N 0.00 0.00 -0.02 0.08 4.64 -1.00 -2.71 113.55 114.54 3afr h SER 271 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3afr h SER 271 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3afr h SER 271 CO 0.02 0.00 0.02 -1.13 -0.87 0.00 0.00 176.83 174.87 3afr h ASN 272 N 0.00 0.00 -0.08 4.97 -0.00 -1.33 -1.28 115.58 117.87 3afr h ASN 272 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 3afr h ASN 272 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 3afr h ASN 272 CO 0.00 0.00 -0.01 -0.61 -0.00 0.00 0.00 177.43 176.81 3afr h GLN 273 N 0.00 0.24 -0.00 6.67 4.15 -1.68 -2.60 115.11 121.90 3afr h GLN 273 Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3afr h GLN 273 Cb 0.05 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3afr h GLN 273 CO -0.00 0.28 -0.72 -1.13 -1.93 0.00 0.00 178.83 175.32 3afr n SER 274 N -4.38 1.23 -4.76 -0.69 3.41 -0.55 -4.96 113.62 102.92 3afr n SER 274 Ca -0.00 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.09 3afr n SER 274 Cb 0.18 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 64.91 3afr n SER 274 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3afr s PHE 275 N -2.59 3.32 -0.05 7.33 5.36 -0.80 -0.64 117.98 129.91 3afr s PHE 275 Ca 0.10 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 3afr s PHE 275 Cb 0.15 -3.49 0.01 0.00 -0.34 0.00 0.00 43.02 39.36 3afr s PHE 275 CO 0.68 -1.26 -0.09 -0.08 -1.46 0.00 0.00 175.22 173.00 3afr s THR 276 N -0.93 0.89 -1.64 0.12 -1.32 0.76 -4.91 115.64 108.61 3afr s THR 276 Ca 0.48 -0.35 0.26 0.00 -1.21 0.00 0.00 61.69 60.87 3afr s THR 276 Cb -0.36 -0.83 0.55 0.00 -1.51 0.00 0.00 72.50 70.35 3afr s THR 276 CO 0.45 0.30 1.87 0.23 -2.21 0.00 0.00 174.62 175.26 3afr n MET 277 N 3.81 0.53 0.03 7.08 0.00 -1.26 -1.96 117.12 125.35 3afr n MET 277 Ca -0.23 0.03 -0.11 0.00 0.00 0.00 0.00 57.70 57.38 3afr n MET 277 Cb 0.52 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.17 3afr n MET 277 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3afr h ASP 278 N 0.00 -0.04 0.00 7.83 5.19 -1.95 -3.34 116.42 124.12 3afr h ASP 278 Ca 0.00 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 3afr h ASP 278 Cb 0.15 0.02 -0.18 0.00 0.18 0.00 0.00 39.33 39.50 3afr h ASP 278 CO 0.00 -0.02 -0.71 -0.90 -3.12 0.00 0.00 179.24 174.50 3afr n ASP 279 N -5.11 0.95 -3.71 6.45 5.68 -1.23 -5.03 116.55 114.55 3afr n ASP 279 Ca -0.06 -2.40 -0.32 0.00 -0.50 0.00 0.00 54.79 51.51 3afr n ASP 279 Cb 0.05 -0.32 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 3afr n ASP 279 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3afr n MET 280 N -0.07 -1.11 -4.04 0.11 2.81 -0.83 -4.98 117.12 109.01 3afr n MET 280 Ca 0.07 0.45 -0.10 0.00 -1.81 0.00 0.00 57.70 56.32 3afr n MET 280 Cb 0.90 -3.91 -0.06 0.00 -0.71 0.00 0.00 33.22 29.44 3afr n MET 280 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3afr s SER 281 N -3.44 -0.03 -0.37 7.83 1.04 -1.08 -4.48 113.70 113.16 3afr s SER 281 Ca 0.45 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 3afr s SER 281 Cb -0.17 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3afr s SER 281 CO 0.87 -1.06 0.22 0.26 0.98 0.00 0.00 173.24 174.51 3afr s TRP 282 N -4.05 3.23 -0.57 5.02 0.51 0.23 -0.17 118.94 123.14 3afr s TRP 282 Ca 0.26 -0.81 -0.19 0.00 -2.12 0.00 0.00 56.10 53.25 3afr s TRP 282 Cb 0.01 -2.46 0.10 0.00 -0.81 0.00 0.00 33.47 30.31 3afr s TRP 282 CO 0.09 -0.60 0.66 0.34 -0.51 0.00 0.00 176.95 176.94 3afr s ASP 283 N 1.59 6.19 -0.70 2.95 -1.08 0.19 -1.01 116.67 124.79 3afr s ASP 283 Ca 0.03 -1.40 -0.02 0.00 -0.52 0.00 0.00 52.55 50.64 3afr s ASP 283 Cb -0.19 -2.29 0.39 0.00 -1.46 0.00 0.00 42.92 39.37 3afr s ASP 283 CO 0.07 -1.05 2.06 0.00 0.52 0.00 0.00 175.17 176.78 3afr n GLY 285 N -0.65 3.25 3.48 0.00 0.00 -1.26 -4.78 105.19 105.23 3afr n GLY 285 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 3afr n GLY 285 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3afr s SER 286 N -1.06 -0.58 0.39 1.61 1.04 -1.26 -5.02 113.70 108.82 3afr s SER 286 Ca 0.00 0.35 0.16 0.00 0.48 0.00 0.00 55.95 56.94 3afr s SER 286 Cb 0.00 0.54 1.03 0.00 0.10 0.00 0.00 66.02 67.68 3afr s SER 286 CO 0.00 -0.74 1.81 -0.61 0.98 0.00 0.00 173.24 174.68 3afr h GLN 287 N 2.48 0.46 -0.10 4.02 5.75 -1.95 0.44 115.11 126.21 3afr h GLN 287 Ca -0.29 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.10 3afr h GLN 287 Cb 1.22 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3afr h GLN 287 CO 0.37 0.30 -0.32 -0.44 -2.65 0.00 0.00 178.83 176.09 3afr h ASP 288 N 0.47 0.20 -0.98 -0.69 3.45 -1.98 -3.01 116.42 113.89 3afr h ASP 288 Ca 0.53 -0.07 -0.63 0.00 0.43 0.00 0.00 57.03 57.29 3afr h ASP 288 Cb 1.23 -0.06 -0.35 0.00 -0.56 0.00 0.00 39.33 39.59 3afr h ASP 288 CO -0.25 0.53 0.11 -1.22 -1.57 0.00 0.00 179.24 176.84 3afr n TYR 289 N -4.11 3.03 -4.02 4.55 0.53 0.15 -4.88 117.16 112.42 3afr n TYR 289 Ca -0.01 -2.67 -0.31 0.00 -1.02 0.00 0.00 57.90 53.89 3afr n TYR 289 Cb 0.41 -0.92 -0.15 0.00 -1.03 0.00 0.00 39.34 37.65 3afr n TYR 289 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 3afr s LYS 290 N -3.74 2.00 -0.12 -0.72 2.20 -0.71 -0.68 119.74 117.96 3afr s LYS 290 Ca 0.58 -1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 3afr s LYS 290 Cb 0.46 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 3afr s LYS 290 CO -0.02 -0.57 0.06 0.71 -0.36 0.00 0.00 175.35 175.17 3afr s TYR 291 N 1.22 3.33 0.43 4.03 1.51 -0.18 -4.93 117.35 122.76 3afr s TYR 291 Ca -0.07 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 3afr s TYR 291 Cb -0.19 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3afr s TYR 291 CO -0.06 0.48 0.09 -0.40 -1.11 0.00 0.00 175.55 174.55 3afr n ASP 292 N 2.44 2.02 -0.29 2.29 3.85 -1.26 -0.60 116.55 125.00 3afr n ASP 292 Ca -0.19 -3.10 0.12 0.00 -0.71 0.00 0.00 54.79 50.92 3afr n ASP 292 Cb 0.54 0.74 0.37 0.00 -1.35 0.00 0.00 41.12 41.42 3afr n ASP 292 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 3afr h VAL 293 N 1.50 0.81 -0.39 2.12 3.04 -1.94 -0.82 116.25 120.56 3afr h VAL 293 Ca -0.34 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 3afr h VAL 293 Cb 1.19 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3afr h VAL 293 CO 0.55 0.13 0.16 0.74 -1.01 0.00 0.00 177.57 178.15 3afr h THR 294 N 0.71 1.19 -0.37 3.17 2.02 -1.98 -1.52 112.91 116.13 3afr h THR 294 Ca 0.48 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3afr h THR 294 Cb 0.77 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3afr h THR 294 CO -0.24 0.20 0.23 0.44 0.37 0.00 0.00 175.52 176.53 3afr h ASP 295 N 0.48 0.43 -0.39 4.18 3.32 -1.57 -2.37 116.42 120.51 3afr h ASP 295 Ca 0.13 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3afr h ASP 295 Cb 0.17 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3afr h ASP 295 CO -0.01 0.34 0.04 0.58 -1.72 0.00 0.00 179.24 178.47 3afr h VAL 296 N 0.49 1.23 0.00 -1.35 2.07 -1.21 -1.15 116.25 116.33 3afr h VAL 296 Ca 0.13 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3afr h VAL 296 Cb -0.02 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3afr h VAL 296 CO -0.03 0.32 -0.01 0.77 0.02 0.00 0.00 177.57 178.64 3afr h SER 297 N 0.70 0.00 -0.32 0.57 4.64 -0.98 -1.42 113.55 116.75 3afr h SER 297 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3afr h SER 297 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3afr h SER 297 CO 0.01 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3afr n LYS 298 N -3.11 2.08 -0.04 4.77 5.02 -0.44 -3.03 118.16 123.42 3afr n LYS 298 Ca -0.00 -1.28 0.07 0.00 -2.02 0.00 0.00 58.31 55.08 3afr n LYS 298 Cb 0.27 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 33.91 3afr n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3afr n ALA 299 N 0.43 2.43 -0.18 7.82 0.00 -0.53 -1.48 120.51 129.00 3afr n ALA 299 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3afr n ALA 299 Cb 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3afr n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3afr n GLY 300 N 0.76 1.32 3.36 0.00 0.00 -1.17 -4.72 105.19 104.74 3afr n GLY 300 Ca 0.09 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3afr n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3afr s HIS 301 N -2.00 1.93 0.44 1.61 3.76 -1.25 -4.80 115.29 114.98 3afr s HIS 301 Ca 0.00 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 3afr s HIS 301 Cb 0.00 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 3afr s HIS 301 CO 0.00 0.40 0.40 0.95 -0.85 0.00 0.00 174.74 175.64 3afr s THR 302 N -2.13 2.51 0.41 1.30 -4.23 -1.26 -4.34 115.64 107.91 3afr s THR 302 Ca 0.19 -1.35 0.32 0.00 -1.18 0.00 0.00 61.69 59.67 3afr s THR 302 Cb -0.05 -2.86 0.34 0.00 1.34 0.00 0.00 72.50 71.27 3afr s THR 302 CO 0.08 0.00 2.12 -0.07 -0.54 0.00 0.00 174.62 176.21 3afr h LEU 303 N 0.96 0.00 -1.49 4.79 3.38 -1.99 -0.89 115.31 120.07 3afr h LEU 303 Ca -0.40 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.88 3afr h LEU 303 Cb 1.27 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 3afr h LEU 303 CO 0.57 0.07 0.73 -0.33 0.09 0.00 0.00 178.44 179.57 3afr h GLU 304 N 0.00 0.26 0.00 1.13 4.39 -2.01 -1.89 114.58 116.46 3afr h GLU 304 Ca -0.00 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 3afr h GLU 304 Cb 0.29 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3afr h GLU 304 CO 0.01 0.17 -1.84 -0.11 -1.16 0.00 0.00 179.01 176.08 3afr n LEU 305 N -4.55 1.60 -0.13 1.33 7.94 -0.73 -4.51 117.00 117.95 3afr n LEU 305 Ca 0.27 -0.04 -0.10 0.00 -1.11 0.00 0.00 56.01 55.02 3afr n LEU 305 Cb 1.04 -0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.82 3afr n LEU 305 CO 0.28 0.54 0.79 0.40 -1.11 0.00 0.00 177.39 178.29 3afr h ILE 306 N 0.00 1.26 -0.12 1.96 2.04 -0.91 -2.01 117.51 119.73 3afr h ILE 306 Ca -0.33 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3afr h ILE 306 Cb 1.62 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3afr h ILE 306 CO -0.02 0.32 0.07 -0.08 0.00 0.00 0.00 178.15 178.44 3afr h GLU 307 N 0.46 0.15 -0.69 2.37 4.22 -1.61 -0.67 114.58 118.81 3afr h GLU 307 Ca 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 3afr h GLU 307 Cb 0.44 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3afr h GLU 307 CO 0.02 0.10 0.37 -1.35 -2.18 0.00 0.00 179.01 175.97 3afr h PRO 308 N 0.15 0.96 -0.40 0.92 0.11 -1.72 -0.94 132.00 131.09 3afr h PRO 308 Ca 0.05 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3afr h PRO 308 Cb -0.01 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 3afr h PRO 308 CO -0.02 0.71 0.26 1.25 -0.21 0.00 0.00 178.00 179.99 3afr h LEU 309 N 0.97 0.47 -0.50 2.35 5.85 -0.84 0.14 115.31 123.75 3afr h LEU 309 Ca 0.25 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3afr h LEU 309 Cb 0.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3afr h LEU 309 CO -0.04 0.36 0.25 0.40 -0.34 0.00 0.00 178.44 179.07 3afr h ILE 310 N 0.54 1.19 -1.00 4.05 1.08 -0.73 -0.51 117.51 122.13 3afr h ILE 310 Ca 0.15 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 3afr h ILE 310 Cb -0.04 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 3afr h ILE 310 CO -0.03 0.21 0.65 0.50 -0.69 0.00 0.00 178.15 178.79 3afr h LYS 311 N 0.67 1.23 -0.07 2.37 1.63 -0.73 -1.08 116.57 120.57 3afr h LYS 311 Ca 0.17 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3afr h LYS 311 Cb 0.10 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3afr h LYS 311 CO -0.02 0.81 0.03 0.35 -3.45 0.00 0.00 179.45 177.17 3afr h PHE 312 N 1.26 0.10 -0.79 1.91 3.57 -0.05 -1.97 116.94 120.97 3afr h PHE 312 Ca 0.40 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.93 3afr h PHE 312 Cb -0.00 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3afr h PHE 312 CO -0.00 0.19 0.49 1.96 -2.23 0.00 0.00 178.31 178.72 3afr h GLN 313 N -0.02 0.91 -0.44 1.11 1.08 -0.50 -0.78 115.11 116.46 3afr h GLN 313 Ca 0.02 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 3afr h GLN 313 Cb 0.13 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3afr h GLN 313 CO -0.00 0.60 0.06 0.28 -0.95 0.00 0.00 178.83 178.82 3afr h VAL 314 N 0.93 1.25 -0.36 -0.54 2.07 -1.13 0.79 116.25 119.26 3afr h VAL 314 Ca 0.33 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 3afr h VAL 314 Cb 0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3afr h VAL 314 CO -0.14 0.32 -0.20 1.23 0.02 0.00 0.00 177.57 178.80 3afr h GLY 315 N 0.60 0.74 0.97 2.17 0.00 -1.02 -1.64 103.07 104.90 3afr h GLY 315 Ca 0.13 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3afr h GLY 315 CO 0.01 0.55 -0.41 -2.00 0.00 0.00 0.00 176.54 174.69 3afr h LEU 316 N 0.61 0.75 -0.58 3.11 5.85 -1.02 -3.16 115.31 120.86 3afr h LEU 316 Ca 0.09 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3afr h LEU 316 Cb 0.68 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3afr h LEU 316 CO 0.05 1.14 0.38 0.11 -0.34 0.00 0.00 178.44 179.79 3afr h LYS 317 N 0.38 0.77 0.00 1.25 1.79 -0.71 -1.54 116.57 118.50 3afr h LYS 317 Ca 0.01 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3afr h LYS 317 Cb 1.01 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3afr h LYS 317 CO 0.09 0.51 0.00 1.63 -1.08 0.00 0.00 179.45 180.60 3afr n LYS 318 N -4.68 0.03 0.01 3.15 5.02 -0.63 -0.85 118.16 120.21 3afr n LYS 318 Ca 0.04 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 3afr n LYS 318 Cb 0.02 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 33.95 3afr n LYS 318 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3afr n LEU 319 N -1.38 0.30 -4.21 -0.35 4.77 -0.58 -4.94 117.00 110.62 3afr n LEU 319 Ca 0.01 0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 3afr n LEU 319 Cb 0.03 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3afr n LEU 319 CO 0.03 0.05 -0.33 0.59 -1.33 0.00 0.00 177.39 176.39 3afr n ASN 320 N -1.56 -1.37 -4.74 -1.43 3.02 -0.03 -4.84 115.26 104.31 3afr n ASN 320 Ca 0.06 -1.29 -0.36 0.00 -0.03 0.00 0.00 54.58 52.96 3afr n ASN 320 Cb 0.35 -1.64 0.06 0.00 -0.61 0.00 0.00 39.78 37.94 3afr n ASN 320 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3afr s LEU 321 N -7.43 3.58 0.42 3.41 1.43 -1.26 -4.98 118.68 113.85 3afr s LEU 321 Ca 0.23 2.50 -0.22 0.00 -1.03 0.00 0.00 54.13 55.61 3afr s LEU 321 Cb -0.13 -4.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.38 3afr s LEU 321 CO 0.99 -1.86 0.97 -1.00 0.23 0.00 0.00 176.35 175.67 3afr s HIS 322 N -1.54 3.32 0.47 0.29 3.76 -1.26 -4.85 115.29 115.48 3afr s HIS 322 Ca 0.80 1.63 0.26 0.00 -0.15 0.00 0.00 55.06 57.60 3afr s HIS 322 Cb -0.34 -2.90 1.31 0.00 1.11 0.00 0.00 32.58 31.76 3afr s HIS 322 CO 0.38 -0.19 1.81 1.49 -0.85 0.00 0.00 174.74 177.38 3afr h GLU 323 N 2.05 0.20 -0.74 1.40 4.81 -1.99 0.26 114.58 120.56 3afr h GLU 323 Ca -0.49 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3afr h GLU 323 Cb 1.19 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3afr h GLU 323 CO 0.61 0.13 0.44 0.93 -0.73 0.00 0.00 179.01 180.40 3afr h GLU 324 N 0.21 1.01 -0.12 1.92 3.07 -1.97 -1.59 114.58 117.10 3afr h GLU 324 Ca 0.55 -0.10 -0.18 0.00 -0.50 0.00 0.00 59.36 59.14 3afr h GLU 324 Cb 1.76 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3afr h GLU 324 CO -0.15 0.72 -0.66 0.93 -1.40 0.00 0.00 179.01 178.45 3afr h GLU 325 N 1.02 0.49 -0.38 2.33 5.08 -0.90 -2.71 114.58 119.50 3afr h GLU 325 Ca 0.27 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3afr h GLU 325 Cb -0.02 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3afr h GLU 325 CO -0.05 0.98 0.22 1.25 -1.00 0.00 0.00 179.01 180.41 3afr h HIS 326 N 0.35 0.52 -0.15 4.33 2.76 -0.83 -0.89 115.15 121.25 3afr h HIS 326 Ca -0.02 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 3afr h HIS 326 Cb 1.22 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 3afr h HIS 326 CO 0.05 0.39 -0.58 -0.39 -1.30 0.00 0.00 177.93 176.10 3afr h VAL 327 N 0.50 1.34 -0.48 5.26 -1.51 -1.32 -2.55 116.25 117.48 3afr h VAL 327 Ca 0.14 -1.86 -0.10 0.00 -1.23 0.00 0.00 66.70 63.64 3afr h VAL 327 Cb 0.04 1.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 3afr h VAL 327 CO -0.02 0.57 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.70 3afr h LEU 328 N 0.36 0.87 -0.42 4.19 3.38 -1.30 -1.77 115.31 120.62 3afr h LEU 328 Ca 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3afr h LEU 328 Cb 1.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3afr h LEU 328 CO 0.10 1.00 0.17 0.25 0.09 0.00 0.00 178.44 180.05 3afr h LEU 329 N 0.79 0.58 -0.82 1.67 5.85 -1.04 0.95 115.31 123.28 3afr h LEU 329 Ca 0.13 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3afr h LEU 329 Cb 0.63 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3afr h LEU 329 CO 0.04 0.59 0.31 0.24 -0.34 0.00 0.00 178.44 179.28 3afr h MET 330 N 0.54 1.17 -0.38 1.25 2.86 -1.32 0.24 114.93 119.28 3afr h MET 330 Ca 0.14 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3afr h MET 330 Cb 0.19 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3afr h MET 330 CO -0.01 0.95 -0.01 0.00 1.06 0.00 0.00 176.91 178.90 3afr h ALA 331 N 1.19 0.52 -0.71 6.32 0.00 -1.02 -2.08 119.26 123.46 3afr h ALA 331 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3afr h ALA 331 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3afr h ALA 331 CO -0.02 0.30 0.27 0.82 0.00 0.00 0.00 179.25 180.62 3afr h ILE 332 N 0.50 1.24 -0.80 0.00 2.04 -0.54 -1.77 117.51 118.19 3afr h ILE 332 Ca 0.11 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 3afr h ILE 332 Cb 0.48 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3afr h ILE 332 CO 0.02 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.81 3afr h ILE 334 N 1.16 1.31 -1.54 0.00 2.04 -1.11 -3.33 117.51 116.05 3afr h ILE 334 Ca 0.27 -1.16 -0.76 0.00 1.00 0.00 0.00 64.86 64.20 3afr h ILE 334 Cb 0.22 1.69 -0.17 0.00 -0.74 0.00 0.00 36.82 37.82 3afr h ILE 334 CO -0.02 0.35 1.95 0.52 0.00 0.00 0.00 178.15 180.94 3afr n VAL 335 N -4.58 4.77 -3.71 1.67 0.31 -0.69 -4.73 118.33 111.37 3afr n VAL 335 Ca -0.05 -4.62 -0.37 0.00 -0.01 0.00 0.00 64.34 59.28 3afr n VAL 335 Cb 0.32 -2.22 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 3afr n VAL 335 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3afr s SER 336 N 0.31 5.37 0.18 4.52 0.01 -1.25 -4.45 113.70 118.39 3afr s SER 336 Ca 0.42 -0.17 0.19 0.00 1.31 0.00 0.00 55.95 57.70 3afr s SER 336 Cb 0.12 -1.98 0.84 0.00 0.21 0.00 0.00 66.02 65.21 3afr s SER 336 CO -0.01 -0.04 1.59 -0.81 0.41 0.00 0.00 173.24 174.37 3afr n PRO 337 N 4.96 0.12 -0.11 12.44 -0.04 -1.26 -3.27 135.00 147.84 3afr n PRO 337 Ca -0.16 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3afr n PRO 337 Cb 0.51 -1.75 0.27 0.00 -0.04 0.00 0.00 33.50 32.50 3afr n PRO 337 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3afr n ASP 338 N -1.98 2.64 -4.76 3.54 3.85 -1.26 -4.81 116.55 113.76 3afr n ASP 338 Ca 0.02 -1.86 -0.41 0.00 -0.71 0.00 0.00 54.79 51.83 3afr n ASP 338 Cb 0.17 -0.14 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 3afr n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3afr s ARG 339 N -1.72 4.24 0.55 0.11 1.81 -1.20 -4.93 118.95 117.80 3afr s ARG 339 Ca 0.35 2.37 -0.21 0.00 -1.72 0.00 0.00 55.73 56.52 3afr s ARG 339 Cb 0.20 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.61 3afr s ARG 339 CO 0.30 -0.39 1.33 -1.25 -0.68 0.00 0.00 175.30 174.61 3afr s PRO 340 N -1.36 3.12 0.00 3.54 0.04 -1.26 -2.80 135.00 136.29 3afr s PRO 340 Ca 0.54 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3afr s PRO 340 Cb -0.43 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3afr s PRO 340 CO 0.53 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3afr n GLY 341 N 0.71 1.13 3.73 0.56 0.00 -1.26 -4.96 105.19 105.10 3afr n GLY 341 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3afr n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afr s VAL 342 N -3.13 3.81 0.00 1.61 1.01 -1.12 -4.94 120.40 117.64 3afr s VAL 342 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3afr s VAL 342 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3afr s VAL 342 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.29 3afr n GLN 343 N 3.04 0.00 -1.63 2.72 1.13 -1.26 -4.59 117.38 116.78 3afr n GLN 343 Ca 0.06 0.15 -0.40 0.00 -1.94 0.00 0.00 57.00 54.87 3afr n GLN 343 Cb 0.46 -0.58 -0.01 0.00 0.11 0.00 0.00 30.24 30.21 3afr n GLN 343 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3afr n ASP 344 N -2.02 6.98 0.15 1.08 4.64 -1.26 -4.70 116.55 121.41 3afr n ASP 344 Ca 0.00 -2.79 0.14 0.00 -1.38 0.00 0.00 54.79 50.76 3afr n ASP 344 Cb 0.00 -1.55 0.69 0.00 -1.04 0.00 0.00 41.12 39.22 3afr n ASP 344 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3afr h ALA 345 N 5.28 2.18 -0.08 -1.67 0.00 -1.87 -1.67 119.26 121.42 3afr h ALA 345 Ca 0.72 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.45 3afr h ALA 345 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3afr h ALA 345 CO 1.75 -0.31 -0.69 0.87 0.00 0.00 0.00 179.25 180.87 3afr h LYS 346 N 0.00 0.38 -0.27 0.00 1.57 -1.93 -0.62 116.57 115.70 3afr h LYS 346 Ca 0.12 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 3afr h LYS 346 Cb 0.48 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3afr h LYS 346 CO -0.00 0.93 -0.20 1.25 -0.57 0.00 0.00 179.45 180.85 3afr h LEU 347 N 0.26 0.64 -1.02 2.94 5.85 -1.72 -0.43 115.31 121.82 3afr h LEU 347 Ca -0.02 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3afr h LEU 347 Cb 1.25 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3afr h LEU 347 CO 0.12 0.95 0.65 0.58 -0.34 0.00 0.00 178.44 180.40 3afr h VAL 348 N 0.33 1.13 -0.45 1.05 2.07 -1.31 0.32 116.25 119.40 3afr h VAL 348 Ca 0.05 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3afr h VAL 348 Cb 0.75 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3afr h VAL 348 CO 0.05 0.22 -0.12 -0.08 0.02 0.00 0.00 177.57 177.67 3afr h GLU 349 N 1.22 0.87 -0.54 1.57 4.81 -0.80 -0.42 114.58 121.29 3afr h GLU 349 Ca 0.41 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3afr h GLU 349 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3afr h GLU 349 CO -0.15 0.98 0.29 0.00 -0.73 0.00 0.00 179.01 179.40 3afr h ALA 350 N 0.87 0.69 -0.32 2.92 0.00 -0.29 0.26 119.26 123.39 3afr h ALA 350 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3afr h ALA 350 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3afr h ALA 350 CO 0.05 0.22 0.16 0.82 0.00 0.00 0.00 179.25 180.49 3afr h ILE 351 N 0.72 1.15 -0.19 0.00 2.04 -0.81 -2.72 117.51 117.70 3afr h ILE 351 Ca 0.19 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3afr h ILE 351 Cb 0.06 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3afr h ILE 351 CO -0.03 0.15 0.08 -0.61 0.00 0.00 0.00 178.15 177.75 3afr h GLN 352 N 0.39 0.28 -0.77 2.37 4.15 -0.64 -2.97 115.11 117.92 3afr h GLN 352 Ca 0.11 -0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.64 3afr h GLN 352 Cb 0.10 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.64 3afr h GLN 352 CO -0.02 0.32 0.29 -0.44 -1.93 0.00 0.00 178.83 177.06 3afr h ASP 353 N 0.17 0.24 -0.53 -0.69 3.32 -0.39 0.18 116.42 118.71 3afr h ASP 353 Ca 0.06 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.25 3afr h ASP 353 Cb 0.14 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3afr h ASP 353 CO -0.01 0.07 0.35 -0.09 -1.72 0.00 0.00 179.24 177.84 3afr h ARG 354 N 0.41 0.66 -0.04 3.56 2.43 -1.33 0.17 114.38 120.24 3afr h ARG 354 Ca 0.43 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.41 3afr h ARG 354 Cb 0.69 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3afr h ARG 354 CO -0.44 0.44 -0.55 -0.07 -1.51 0.00 0.00 179.97 177.84 3afr h LEU 355 N 0.68 0.55 -0.25 3.80 3.38 -0.70 -2.53 115.31 120.24 3afr h LEU 355 Ca 0.20 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3afr h LEU 355 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3afr h LEU 355 CO -0.05 1.18 0.09 0.28 0.09 0.00 0.00 178.44 180.04 3afr h SER 356 N -0.04 0.11 -0.61 -0.43 0.02 -0.16 0.61 113.55 113.05 3afr h SER 356 Ca -0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3afr h SER 356 Cb 1.23 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 3afr h SER 356 CO 0.11 0.10 0.28 0.78 -1.14 0.00 0.00 176.83 176.96 3afr h ASN 357 N 0.21 0.84 -0.14 3.07 2.35 -0.76 0.31 115.58 121.45 3afr h ASN 357 Ca 0.11 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3afr h ASN 357 Cb 0.06 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3afr h ASN 357 CO -0.10 0.73 0.07 0.74 -1.65 0.00 0.00 177.43 177.22 3afr h THR 358 N 0.91 1.12 0.23 2.81 2.02 -0.94 -1.03 112.91 118.04 3afr h THR 358 Ca 0.22 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3afr h THR 358 Cb 0.14 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3afr h THR 358 CO -0.02 0.11 -0.15 0.25 0.37 0.00 0.00 175.52 176.08 3afr h LEU 359 N 0.10 -0.39 -0.71 2.58 5.85 -0.08 0.11 115.31 122.76 3afr h LEU 359 Ca 0.05 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3afr h LEU 359 Cb 0.12 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3afr h LEU 359 CO -0.01 -0.25 0.41 1.56 -0.34 0.00 0.00 178.44 179.82 3afr h GLN 360 N -0.38 0.73 -0.34 1.25 4.20 -0.34 -0.46 115.11 119.77 3afr h GLN 360 Ca -0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3afr h GLN 360 Cb 0.33 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3afr h GLN 360 CO 0.01 0.48 -0.11 1.15 -0.67 0.00 0.00 178.83 179.69 3afr h THR 361 N 0.75 1.28 -0.77 -0.54 2.02 -1.03 -2.55 112.91 112.08 3afr h THR 361 Ca 0.32 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.36 3afr h THR 361 Cb 0.19 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3afr h THR 361 CO -0.18 0.39 0.47 0.22 0.37 0.00 0.00 175.52 176.78 3afr h TYR 362 N 0.45 0.87 -0.58 3.16 5.03 -0.16 -0.14 116.97 125.60 3afr h TYR 362 Ca 0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 3afr h TYR 362 Cb 0.63 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 3afr h TYR 362 CO 0.05 0.46 0.31 0.82 -1.32 0.00 0.00 178.16 178.48 3afr h ILE 363 N 0.88 1.19 -0.22 1.81 2.04 -1.00 0.40 117.51 122.61 3afr h ILE 363 Ca 0.32 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3afr h ILE 363 Cb 0.11 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3afr h ILE 363 CO -0.15 0.21 -0.20 0.03 0.00 0.00 0.00 178.15 178.05 3afr h ARG 364 N 0.78 0.39 0.07 2.37 3.08 -0.92 -2.39 114.38 117.77 3afr h ARG 364 Ca 0.20 -0.13 -0.37 0.00 0.07 0.00 0.00 59.98 59.75 3afr h ARG 364 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3afr h ARG 364 CO -0.03 0.58 -2.18 0.00 -1.07 0.00 0.00 179.97 177.27 3afr n ARG 366 N -3.41 2.77 -3.69 0.00 5.12 0.14 -4.91 116.66 112.67 3afr n ARG 366 Ca -0.38 -0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.14 3afr n ARG 366 Cb 1.02 -1.10 -0.12 0.00 -1.16 0.00 0.00 32.46 31.10 3afr n ARG 366 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3afr s HIS 367 N -2.19 3.20 0.25 -1.55 2.46 -0.90 -5.01 115.29 111.54 3afr s HIS 367 Ca 0.05 -0.93 -0.30 0.00 0.47 0.00 0.00 55.06 54.35 3afr s HIS 367 Cb 0.10 -2.33 -0.09 0.00 -0.13 0.00 0.00 32.58 30.12 3afr s HIS 367 CO 0.52 -0.59 1.14 -2.14 -2.47 0.00 0.00 174.74 171.20 3afr s PRO 368 N 1.53 4.58 0.75 2.88 0.02 -1.26 -4.56 135.00 138.94 3afr s PRO 368 Ca 0.02 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.77 3afr s PRO 368 Cb -0.18 -3.20 0.05 0.00 0.02 0.00 0.00 34.50 31.19 3afr s PRO 368 CO 0.05 0.10 1.11 -1.25 -0.33 0.00 0.00 177.00 176.67 3afr s PRO 369 N -1.08 2.26 0.27 5.54 0.04 -1.26 -2.59 135.00 138.19 3afr s PRO 369 Ca 0.47 1.30 0.26 0.00 0.04 0.00 0.00 61.00 63.07 3afr s PRO 369 Cb -0.32 -1.89 0.78 0.00 0.04 0.00 0.00 34.50 33.11 3afr s PRO 369 CO 0.40 -1.66 1.75 -1.00 0.04 0.00 0.00 177.00 176.54 3afr h PRO 370 N -0.85 0.00 -0.60 0.56 0.13 -2.01 -3.45 132.00 125.77 3afr h PRO 370 Ca -0.45 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.86 3afr h PRO 370 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3afr h PRO 370 CO 0.51 0.00 0.69 0.78 -0.23 0.00 0.00 178.00 179.75 3afr h GLY 371 N 3.97 0.00 0.60 1.56 0.00 -1.88 0.24 103.07 107.56 3afr h GLY 371 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3afr h GLY 371 CO 0.00 0.00 -0.23 -1.14 0.00 0.00 0.00 176.54 175.17 3afr n SER 372 N -3.54 0.75 -4.56 0.19 3.41 -1.18 -4.67 113.62 104.02 3afr n SER 372 Ca 0.12 -0.67 -0.44 0.00 -0.26 0.00 0.00 58.87 57.62 3afr n SER 372 Cb 0.91 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3afr n SER 372 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3afr n HIS 373 N -0.87 1.83 -2.53 7.33 -0.00 0.85 -1.66 115.22 120.16 3afr n HIS 373 Ca 0.12 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.72 57.67 3afr n HIS 373 Cb 0.32 -2.68 -0.00 0.00 -0.00 0.00 0.00 29.99 27.63 3afr n HIS 373 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3afr n GLN 374 N 8.67 -2.33 -0.24 1.57 6.02 -1.26 -4.86 117.38 124.95 3afr n GLN 374 Ca 0.33 0.70 -0.07 0.00 -0.01 0.00 0.00 57.00 57.96 3afr n GLN 374 Cb 0.40 -5.34 0.06 0.00 1.02 0.00 0.00 30.24 26.38 3afr n GLN 374 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3afr h LEU 375 N -0.14 1.05 -0.32 1.08 5.85 -1.59 -1.55 115.31 119.70 3afr h LEU 375 Ca -0.36 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 3afr h LEU 375 Cb 1.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3afr h LEU 375 CO 0.43 1.02 0.10 0.22 -0.34 0.00 0.00 178.44 179.86 3afr h TYR 376 N 1.05 0.51 -0.59 1.25 3.20 -1.89 -0.87 116.97 119.63 3afr h TYR 376 Ca 0.21 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3afr h TYR 376 Cb 0.39 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3afr h TYR 376 CO 0.03 0.52 0.32 0.00 -1.64 0.00 0.00 178.16 177.40 3afr h ALA 377 N 0.93 1.46 -0.04 1.82 0.00 -1.92 -1.10 119.26 120.41 3afr h ALA 377 Ca 0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3afr h ALA 377 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3afr h ALA 377 CO -0.00 0.45 -0.61 0.87 0.00 0.00 0.00 179.25 179.96 3afr h LYS 378 N 0.82 0.13 -0.12 0.00 1.57 -0.97 -1.97 116.57 116.03 3afr h LYS 378 Ca 0.21 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.66 3afr h LYS 378 Cb 0.02 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3afr h LYS 378 CO -0.03 0.70 -0.84 0.52 -0.57 0.00 0.00 179.45 179.23 3afr h MET 379 N 0.10 0.78 -0.09 3.15 2.86 -0.52 -2.68 114.93 118.53 3afr h MET 379 Ca -0.01 -0.68 -0.07 0.00 -2.06 0.00 0.00 59.70 56.89 3afr h MET 379 Cb 1.10 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3afr h MET 379 CO 0.09 1.28 -0.24 0.82 1.06 0.00 0.00 176.91 179.91 3afr h ILE 380 N 0.52 1.22 -0.28 -1.22 1.08 -1.18 -2.14 117.51 115.50 3afr h ILE 380 Ca -0.07 -1.01 -0.07 0.00 -0.39 0.00 0.00 64.86 63.31 3afr h ILE 380 Cb 1.48 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 3afr h ILE 380 CO 0.17 0.30 -0.15 -0.61 -0.69 0.00 0.00 178.15 177.18 3afr h GLN 381 N 0.15 0.48 -0.21 2.37 5.75 -1.16 -2.07 115.11 120.42 3afr h GLN 381 Ca 0.03 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 3afr h GLN 381 Cb 0.51 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3afr h GLN 381 CO 0.04 0.62 -0.14 0.87 -2.65 0.00 0.00 178.83 177.56 3afr h LYS 382 N 0.44 0.35 -0.65 1.69 1.79 -1.06 -0.25 116.57 118.88 3afr h LYS 382 Ca 0.08 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 3afr h LYS 382 Cb 0.52 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 3afr h LYS 382 CO 0.03 0.49 0.11 -0.07 -1.08 0.00 0.00 179.45 178.93 3afr h LEU 383 N 0.32 1.02 -0.56 2.94 3.38 -1.22 0.13 115.31 121.31 3afr h LEU 383 Ca 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3afr h LEU 383 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3afr h LEU 383 CO 0.03 1.01 0.15 0.00 0.09 0.00 0.00 178.44 179.72 3afr h ALA 384 N 1.11 0.74 -0.66 1.53 0.00 -0.98 -2.09 119.26 118.91 3afr h ALA 384 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3afr h ALA 384 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3afr h ALA 384 CO 0.01 0.43 0.43 -0.44 0.00 0.00 0.00 179.25 179.68 3afr h ASP 385 N 0.80 0.76 0.02 0.00 3.45 -0.55 -1.85 116.42 119.05 3afr h ASP 385 Ca 0.18 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.55 3afr h ASP 385 Cb 0.32 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3afr h ASP 385 CO -0.00 0.56 -0.18 -0.07 -1.57 0.00 0.00 179.24 177.97 3afr h LEU 386 N 0.90 0.30 -0.84 1.55 3.38 -0.33 -2.09 115.31 118.17 3afr h LEU 386 Ca 0.24 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3afr h LEU 386 Cb -0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3afr h LEU 386 CO -0.05 0.50 0.17 0.03 0.09 0.00 0.00 178.44 179.18 3afr h ARG 387 N 0.28 1.03 -0.45 1.13 2.47 -0.77 0.29 114.38 118.37 3afr h ARG 387 Ca 0.05 -0.23 -0.13 0.00 -1.26 0.00 0.00 59.98 58.42 3afr h ARG 387 Cb 0.49 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3afr h ARG 387 CO 0.03 0.91 -0.21 0.77 0.56 0.00 0.00 179.97 182.03 3afr h SER 388 N 0.99 0.96 -0.54 7.04 0.02 -1.35 -1.09 113.55 119.59 3afr h SER 388 Ca 0.21 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 3afr h SER 388 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3afr h SER 388 CO -0.00 1.15 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.66 3afr h LEU 389 N 0.78 1.03 -0.23 5.07 3.38 -1.05 -1.87 115.31 122.41 3afr h LEU 389 Ca 0.10 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3afr h LEU 389 Cb 0.78 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3afr h LEU 389 CO 0.06 1.14 0.13 -1.13 0.09 0.00 0.00 178.44 178.74 3afr h ASN 390 N 0.90 0.28 -0.02 -0.43 -0.73 -0.27 0.64 115.58 115.96 3afr h ASN 390 Ca 0.14 -0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.27 3afr h ASN 390 Cb 0.67 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 3afr h ASN 390 CO 0.05 0.26 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.18 3afr h GLU 391 N 0.28 -0.18 -0.20 6.67 4.81 -1.05 0.68 114.58 125.60 3afr h GLU 391 Ca 0.08 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3afr h GLU 391 Cb 0.04 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3afr h GLU 391 CO -0.01 -0.12 -0.16 1.49 -0.73 0.00 0.00 179.01 179.48 3afr h GLU 392 N -0.18 0.33 -0.37 1.92 4.57 -1.21 -2.57 114.58 117.06 3afr h GLU 392 Ca 0.05 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3afr h GLU 392 Cb 0.25 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3afr h GLU 392 CO -0.13 0.49 0.08 1.25 -1.18 0.00 0.00 179.01 179.52 3afr h HIS 393 N 0.31 0.63 -0.65 0.92 2.76 -0.16 -1.56 115.15 117.39 3afr h HIS 393 Ca 0.06 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 3afr h HIS 393 Cb 0.47 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 3afr h HIS 393 CO 0.01 0.63 0.43 0.77 -1.30 0.00 0.00 177.93 178.47 3afr h SER 394 N 0.44 0.69 -0.11 3.26 0.02 -0.51 0.22 113.55 117.56 3afr h SER 394 Ca 0.11 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3afr h SER 394 Cb 0.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3afr h SER 394 CO 0.00 0.48 -0.11 0.11 -1.14 0.00 0.00 176.83 176.17 3afr h LYS 395 N 0.80 0.26 -0.04 3.45 1.57 -1.18 -2.49 116.57 118.95 3afr h LYS 395 Ca 0.26 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3afr h LYS 395 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3afr h LYS 395 CO -0.07 0.69 -0.46 1.96 -0.57 0.00 0.00 179.45 181.00 3afr h GLN 396 N -0.15 0.10 -0.50 3.15 4.20 -0.96 -2.47 115.11 118.48 3afr h GLN 396 Ca 0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3afr h GLN 396 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3afr h GLN 396 CO 0.03 0.55 0.16 -0.92 -0.67 0.00 0.00 178.83 177.97 3afr h TYR 397 N 0.08 0.80 -0.34 2.96 3.20 -0.57 0.14 116.97 123.25 3afr h TYR 397 Ca 0.00 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.84 3afr h TYR 397 Cb 0.85 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3afr h TYR 397 CO 0.01 0.69 0.10 0.00 -1.64 0.00 0.00 178.16 177.32 3afr h ARG 398 N 0.67 0.23 0.26 1.82 3.08 -1.17 0.17 114.38 119.45 3afr h ARG 398 Ca 0.16 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3afr h ARG 398 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3afr h ARG 398 CO -0.01 0.15 -0.13 1.03 -1.07 0.00 0.00 179.97 179.95 3afr h SER 399 N 0.24 -0.30 -0.10 7.04 0.87 -1.04 -0.43 113.55 119.83 3afr h SER 399 Ca 0.15 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3afr h SER 399 Cb 0.14 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3afr h SER 399 CO -0.17 -0.20 -0.00 0.25 -0.53 0.00 0.00 176.83 176.18 3afr h LEU 400 N -0.37 -0.04 -0.22 2.23 6.46 -0.48 -2.04 115.31 120.84 3afr h LEU 400 Ca -0.04 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3afr h LEU 400 Cb 0.28 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3afr h LEU 400 CO 0.06 -0.01 0.00 -1.54 -0.62 0.00 0.00 178.44 176.33 3afr n SER 401 N -5.11 0.33 0.35 1.25 3.41 0.59 -4.01 113.62 110.42 3afr n SER 401 Ca -0.05 -1.86 -0.16 0.00 -0.26 0.00 0.00 58.87 56.54 3afr n SER 401 Cb 0.07 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 3afr n SER 401 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3afr h PHE 402 N 0.38 -0.82 -2.97 7.33 -0.00 -0.30 -3.41 116.94 117.14 3afr h PHE 402 Ca 0.00 -0.02 -0.56 0.00 -0.00 0.00 0.00 57.97 57.39 3afr h PHE 402 Cb 0.08 0.27 -0.03 0.00 -0.00 0.00 0.00 35.95 36.28 3afr h PHE 402 CO 0.04 -0.47 0.82 -0.65 -0.00 0.00 0.00 178.31 178.04 3afr s GLN 403 N -5.39 4.29 0.57 1.11 -0.21 -1.26 -4.89 119.66 113.88 3afr s GLN 403 Ca -0.16 1.72 0.31 0.00 0.02 0.00 0.00 55.36 57.24 3afr s GLN 403 Cb 0.02 -3.67 1.45 0.00 1.00 0.00 0.00 33.01 31.82 3afr s GLN 403 CO 0.55 -0.59 1.84 -1.35 -2.12 0.00 0.00 175.29 173.62 3afr h PRO 404 N 7.90 0.00 -0.60 2.91 0.11 -1.92 0.68 132.00 141.07 3afr h PRO 404 Ca -0.31 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.82 3afr h PRO 404 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3afr h PRO 404 CO 0.92 0.00 0.40 1.49 -0.21 0.00 0.00 178.00 180.60 3afr h GLU 405 N 0.00 0.73 0.11 1.05 4.81 -1.94 -1.83 114.58 117.51 3afr h GLU 405 Ca 0.35 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.20 3afr h GLU 405 Cb 1.62 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 3afr h GLU 405 CO -0.00 0.48 -1.86 -0.91 -0.73 0.00 0.00 179.01 175.99 3afr h ASN 406 N 0.75 0.36 0.33 1.04 2.35 -1.13 -3.31 115.58 115.97 3afr h ASN 406 Ca 0.23 -0.73 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3afr h ASN 406 Cb 0.01 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3afr h ASN 406 CO -0.06 1.64 -0.01 0.77 -1.65 0.00 0.00 177.43 178.12 3afr h SER 407 N 0.06 0.00 0.71 5.81 4.64 -1.42 0.14 113.55 123.50 3afr h SER 407 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3afr h SER 407 Cb 2.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3afr h SER 407 CO 0.11 0.01 -0.18 -0.03 -0.87 0.00 0.00 176.83 175.87 3afr h MET 408 N 0.00 0.00 0.00 4.77 -1.53 -1.41 -2.78 114.93 113.98 3afr h MET 408 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3afr h MET 408 Cb 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 3afr h MET 408 CO 0.00 0.18 -0.25 1.63 0.14 0.00 0.00 176.91 178.61 3afr n LYS 409 N -3.45 0.01 -0.12 0.39 4.76 0.48 -4.89 118.16 115.33 3afr n LYS 409 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3afr n LYS 409 Cb 0.35 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3afr n LYS 409 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3afr n LEU 410 N -1.51 0.00 -4.54 -0.35 4.77 -1.05 -4.56 117.00 109.76 3afr n LEU 410 Ca 0.06 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 3afr n LEU 410 Cb 0.34 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3afr n LEU 410 CO 0.31 -0.31 -0.40 0.42 -1.33 0.00 0.00 177.39 176.08 3afr s THR 411 N -0.23 2.45 0.23 -5.08 -4.23 -1.26 -5.03 115.64 102.50 3afr s THR 411 Ca 0.00 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.22 3afr s THR 411 Cb 0.00 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.48 3afr s THR 411 CO 0.00 -0.27 1.91 -0.65 -0.54 0.00 0.00 174.62 175.06 3afr h PRO 412 N 2.06 1.20 -0.50 3.99 0.11 -1.99 -1.47 132.00 135.40 3afr h PRO 412 Ca -0.42 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3afr h PRO 412 Cb 1.25 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3afr h PRO 412 CO 0.66 0.80 0.12 1.25 -0.21 0.00 0.00 178.00 180.61 3afr h LEU 413 N 1.23 0.76 -1.09 2.35 5.85 -1.97 -1.10 115.31 121.35 3afr h LEU 413 Ca 0.33 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3afr h LEU 413 Cb -0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3afr h LEU 413 CO -0.07 0.80 0.15 0.58 -0.34 0.00 0.00 178.44 179.56 3afr h VAL 414 N 0.69 1.22 -0.33 1.05 2.07 -1.85 -0.90 116.25 118.19 3afr h VAL 414 Ca 0.16 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.79 3afr h VAL 414 Cb 0.34 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3afr h VAL 414 CO 0.00 0.28 -0.34 -0.07 0.02 0.00 0.00 177.57 177.47 3afr h LEU 415 N 0.78 0.88 -0.23 2.57 3.38 -0.97 -1.59 115.31 120.12 3afr h LEU 415 Ca 0.18 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3afr h LEU 415 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3afr h LEU 415 CO -0.01 1.17 0.02 -0.08 0.09 0.00 0.00 178.44 179.63 3afr h GLU 416 N 0.60 0.40 0.14 1.13 4.81 -0.95 -1.58 114.58 119.13 3afr h GLU 416 Ca 0.05 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3afr h GLU 416 Cb 0.92 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3afr h GLU 416 CO 0.08 0.55 -0.07 0.28 -0.73 0.00 0.00 179.01 179.13 3afr h VAL 417 N 0.18 0.97 0.00 0.32 2.07 -1.20 -3.29 116.25 115.30 3afr h VAL 417 Ca 0.07 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3afr h VAL 417 Cb 0.36 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3afr h VAL 417 CO 0.01 0.24 0.00 0.49 0.02 0.00 0.00 177.57 178.33 3afr n PHE 418 N -4.92 0.00 0.00 1.57 0.99 -0.60 -4.91 117.46 109.59 3afr n PHE 418 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 3afr n PHE 418 Cb 0.27 -0.35 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 3afr n PHE 418 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3afr n GLY 419 N 1.06 2.92 2.45 1.37 0.00 -0.59 -4.99 105.19 107.41 3afr n GLY 419 Ca 0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3afr n GLY 419 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31