#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjk s LEU 124 N 0.00 4.26 1.04 -0.35 1.43 -1.26 -5.03 118.68 118.77 1rjk s LEU 124 Ca 0.00 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 1rjk s LEU 124 Cb 0.00 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.88 1rjk s LEU 124 CO 0.00 -0.62 1.07 -0.94 0.23 0.00 0.00 176.35 176.09 1rjk s SER 125 N 1.59 2.19 0.23 2.29 1.04 -1.26 -4.75 113.70 115.03 1rjk s SER 125 Ca 0.56 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 1rjk s SER 125 Cb -0.24 -2.09 0.25 0.00 0.10 0.00 0.00 66.02 64.03 1rjk s SER 125 CO 0.21 -3.43 1.65 -0.08 0.98 0.00 0.00 173.24 172.57 1rjk h GLU 126 N -2.10 0.69 -0.77 4.02 4.22 -1.99 -0.17 114.58 118.49 1rjk h GLU 126 Ca -0.56 -0.27 -0.05 0.00 0.08 0.00 0.00 59.36 58.56 1rjk h GLU 126 Cb 1.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1rjk h GLU 126 CO 0.54 0.86 0.27 1.49 -2.18 0.00 0.00 179.01 179.99 1rjk h GLU 127 N 0.60 1.17 -0.51 1.92 4.81 -1.99 -0.19 114.58 120.40 1rjk h GLU 127 Ca 0.08 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1rjk h GLU 127 Cb 0.72 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1rjk h GLU 127 CO 0.06 0.98 0.04 1.96 -0.73 0.00 0.00 179.01 181.31 1rjk h GLN 128 N 1.13 0.88 -0.79 1.92 4.20 -1.82 -1.17 115.11 119.45 1rjk h GLN 128 Ca 0.25 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1rjk h GLN 128 Cb 0.27 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1rjk h GLN 128 CO -0.01 0.89 0.32 1.96 -0.67 0.00 0.00 178.83 181.31 1rjk h GLN 129 N 0.75 1.18 -0.20 1.46 4.20 -0.84 -2.39 115.11 119.26 1rjk h GLN 129 Ca 0.15 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1rjk h GLN 129 Cb 0.46 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1rjk h GLN 129 CO 0.02 0.95 -0.00 1.25 -0.67 0.00 0.00 178.83 180.37 1rjk h HIS 130 N 1.15 -0.01 -0.50 2.96 2.76 -0.84 -1.82 115.15 118.84 1rjk h HIS 130 Ca 0.26 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1rjk h HIS 130 Cb 0.21 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1rjk h HIS 130 CO 0.02 -0.03 0.31 0.82 -1.30 0.00 0.00 177.93 177.75 1rjk h ILE 131 N 0.06 1.09 -0.33 6.26 2.04 -0.94 -1.57 117.51 124.12 1rjk h ILE 131 Ca 0.09 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1rjk h ILE 131 Cb 0.12 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1rjk h ILE 131 CO -0.16 0.12 0.13 0.40 0.00 0.00 0.00 178.15 178.64 1rjk h ILE 132 N 0.63 1.18 -0.80 -0.67 2.04 -1.33 -1.53 117.51 117.04 1rjk h ILE 132 Ca 0.19 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1rjk h ILE 132 Cb -0.02 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1rjk h ILE 132 CO -0.07 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.79 1rjk h ALA 133 N 0.98 1.04 -0.38 1.87 0.00 -1.08 0.11 119.26 121.80 1rjk h ALA 133 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1rjk h ALA 133 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rjk h ALA 133 CO -0.01 0.33 0.11 0.82 0.00 0.00 0.00 179.25 180.50 1rjk h ILE 134 N 1.00 1.22 -0.51 0.00 2.04 -1.10 -1.69 117.51 118.47 1rjk h ILE 134 Ca 0.32 -0.73 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 1rjk h ILE 134 Cb 0.00 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1rjk h ILE 134 CO -0.11 0.25 -0.17 -0.07 0.00 0.00 0.00 178.15 178.05 1rjk h LEU 135 N 0.46 1.02 -0.25 1.44 3.38 -1.00 0.33 115.31 120.68 1rjk h LEU 135 Ca 0.12 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1rjk h LEU 135 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1rjk h LEU 135 CO -0.00 1.16 0.07 -0.07 0.09 0.00 0.00 178.44 179.68 1rjk h LEU 136 N 0.88 0.05 -0.51 1.67 3.38 -0.74 -0.92 115.31 119.11 1rjk h LEU 136 Ca 0.12 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1rjk h LEU 136 Cb 0.74 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1rjk h LEU 136 CO 0.06 0.06 -0.00 -0.78 0.09 0.00 0.00 178.44 177.87 1rjk h ASP 137 N 0.17 0.88 -0.58 -0.43 1.82 -1.09 -0.89 116.42 116.30 1rjk h ASP 137 Ca 0.11 -0.31 0.04 0.00 -0.39 0.00 0.00 57.03 56.49 1rjk h ASP 137 Cb 0.10 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 39.83 1rjk h ASP 137 CO -0.14 0.98 0.33 0.00 -1.61 0.00 0.00 179.24 178.80 1rjk h ALA 138 N 0.94 0.75 -0.49 -0.78 0.00 -0.13 -1.21 119.26 118.35 1rjk h ALA 138 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1rjk h ALA 138 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rjk h ALA 138 CO 0.03 0.02 0.17 1.25 0.00 0.00 0.00 179.25 180.71 1rjk h HIS 139 N 0.63 0.78 -0.24 0.00 -0.00 -0.94 -2.63 115.15 112.75 1rjk h HIS 139 Ca 0.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1rjk h HIS 139 Cb 0.10 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1rjk h HIS 139 CO -0.08 0.67 -0.05 0.45 -0.00 0.00 0.00 177.93 178.93 1rjk h HIS 140 N 0.66 0.38 0.00 5.26 3.86 -0.67 0.11 115.15 124.76 1rjk h HIS 140 Ca 0.16 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1rjk h HIS 140 Cb 0.25 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1rjk h HIS 140 CO 0.01 0.43 0.00 1.63 0.86 0.00 0.00 177.93 180.86 1rjk n LYS 141 N -4.30 0.17 0.00 2.45 5.02 -0.50 -3.79 118.16 117.21 1rjk n LYS 141 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1rjk n LYS 141 Cb 0.24 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1rjk n LYS 141 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rjk n THR 142 N -2.03 0.22 -3.66 -0.18 -2.24 -0.58 -4.95 114.28 100.86 1rjk n THR 142 Ca 0.05 -0.52 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1rjk n THR 142 Cb 0.34 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.43 1rjk n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rjk s TYR 143 N -0.22 0.93 -0.54 4.78 6.14 -0.08 -4.84 117.35 123.52 1rjk s TYR 143 Ca 0.00 -1.06 -0.21 0.00 0.64 0.00 0.00 57.07 56.44 1rjk s TYR 143 Cb 0.00 -1.15 0.06 0.00 0.42 0.00 0.00 41.96 41.28 1rjk s TYR 143 CO 0.00 -0.74 0.77 0.34 0.64 0.00 0.00 175.55 176.56 1rjk s ASP 144 N 1.89 6.26 0.00 4.32 2.15 -1.26 -4.74 116.67 125.29 1rjk s ASP 144 Ca 0.05 -0.74 0.15 0.00 0.43 0.00 0.00 52.55 52.44 1rjk s ASP 144 Cb -0.17 -2.35 0.82 0.00 -0.30 0.00 0.00 42.92 40.92 1rjk s ASP 144 CO -0.22 -1.07 1.33 -0.81 -0.17 0.00 0.00 175.17 174.24 1rjk n PRO 145 N 6.78 0.36 0.00 4.34 -0.04 -1.26 -0.92 135.00 144.26 1rjk n PRO 145 Ca -0.03 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1rjk n PRO 145 Cb 0.46 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1rjk n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rjk n THR 146 N -1.11 0.00 -2.73 0.52 -2.24 -1.26 -4.98 114.28 102.48 1rjk n THR 146 Ca 0.09 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1rjk n THR 146 Cb 0.07 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1rjk n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rjk n TYR 147 N -1.36 -1.50 0.17 4.78 4.02 -0.10 -4.85 117.16 118.32 1rjk n TYR 147 Ca 0.05 0.24 0.04 0.00 -0.01 0.00 0.00 57.90 58.22 1rjk n TYR 147 Cb 0.34 -3.91 0.44 0.00 -0.02 0.00 0.00 39.34 36.19 1rjk n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rjk h ALA 148 N 1.00 1.60 0.00 -0.72 0.00 -1.94 -2.21 119.26 116.99 1rjk h ALA 148 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rjk h ALA 148 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1rjk h ALA 148 CO 0.54 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.84 1rjk n ASP 149 N -4.30 0.47 0.30 0.00 8.00 -1.26 -3.31 116.55 116.45 1rjk n ASP 149 Ca -0.01 0.60 0.18 0.00 0.71 0.00 0.00 54.79 56.26 1rjk n ASP 149 Cb 0.26 -0.70 1.01 0.00 -0.02 0.00 0.00 41.12 41.66 1rjk n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1rjk h PHE 150 N 0.00 0.00 0.00 1.24 -1.00 -1.78 -0.46 116.94 114.93 1rjk h PHE 150 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1rjk h PHE 150 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1rjk h PHE 150 CO 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 178.31 176.65 1rjk h ARG 151 N 0.00 0.00 0.00 1.51 -0.00 -1.78 -2.03 114.38 112.08 1rjk h ARG 151 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1rjk h ARG 151 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1rjk h ARG 151 CO -0.00 0.05 0.00 -0.44 0.00 0.00 0.00 179.97 179.58 1rjk h ASP 152 N 0.00 0.00 -4.10 7.04 3.32 -1.34 -3.46 116.42 117.88 1rjk h ASP 152 Ca -0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1rjk h ASP 152 Cb 0.24 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.84 1rjk h ASP 152 CO 0.01 0.00 0.40 -0.36 -1.72 0.00 0.00 179.24 177.56 1rjk s PHE 153 N -3.16 2.89 0.19 4.55 2.99 -0.76 -4.98 117.98 119.69 1rjk s PHE 153 Ca 0.09 1.56 -0.33 0.00 0.00 0.00 0.00 56.93 58.25 1rjk s PHE 153 Cb 0.11 -3.12 -0.15 0.00 0.00 0.00 0.00 43.02 39.86 1rjk s PHE 153 CO 0.57 -1.12 1.29 0.54 -0.00 0.00 0.00 175.22 176.51 1rjk n ARG 154 N -1.29 1.54 -1.69 0.44 1.74 -1.26 -4.85 116.66 111.28 1rjk n ARG 154 Ca 0.10 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 1rjk n ARG 154 Cb 0.52 -2.13 0.01 0.00 -1.02 0.00 0.00 32.46 29.83 1rjk n ARG 154 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rjk n PRO 155 N 2.03 1.93 -2.07 5.56 -0.04 -1.26 -3.90 135.00 137.25 1rjk n PRO 155 Ca 0.14 0.68 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 1rjk n PRO 155 Cb 0.27 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1rjk n PRO 155 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1rjk s PRO 156 N -2.11 4.32 -0.13 0.54 0.04 -1.26 -4.36 135.00 132.04 1rjk s PRO 156 Ca 0.60 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.91 1rjk s PRO 156 Cb -0.53 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 30.97 1rjk s PRO 156 CO 0.59 -0.24 -0.14 0.08 0.04 0.00 0.00 177.00 177.33 1rjk s VAL 157 N -1.11 1.52 -0.28 -0.36 1.01 -1.25 -5.08 120.40 114.85 1rjk s VAL 157 Ca 0.50 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1rjk s VAL 157 Cb -0.41 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 34.64 1rjk s VAL 157 CO 0.54 0.45 0.03 -0.13 0.00 0.00 0.00 175.10 175.99 1rjk s ARG 158 N 1.34 1.24 0.00 2.72 0.52 -1.26 -3.80 118.95 119.70 1rjk s ARG 158 Ca 0.01 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1rjk s ARG 158 Cb -0.13 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.81 1rjk s ARG 158 CO -0.08 -0.81 0.00 0.00 0.02 0.00 0.00 175.30 174.43 1rjk n MET 159 N 4.64 0.00 0.00 3.54 0.00 -1.26 -5.19 117.12 118.85 1rjk n MET 159 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1rjk n MET 159 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.54 1rjk n MET 159 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1rjk n PRO 219 N -0.15 0.00 -2.21 3.17 -0.02 -1.26 -5.23 135.00 129.29 1rjk n PRO 219 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1rjk n PRO 219 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1rjk n PRO 219 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rjk n LEU 220 N 0.00 -2.23 0.27 2.45 4.77 -1.26 -4.97 117.00 116.02 1rjk n LEU 220 Ca 0.00 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1rjk n LEU 220 Cb 0.00 -0.81 0.75 0.00 -2.33 0.00 0.00 43.42 41.03 1rjk n LEU 220 CO 0.00 0.05 1.02 0.77 -1.33 0.00 0.00 177.39 177.90 1rjk h SER 221 N -0.23 0.00 -0.04 -1.43 4.64 -1.77 -2.09 113.55 112.63 1rjk h SER 221 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1rjk h SER 221 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1rjk h SER 221 CO 0.06 0.08 0.00 0.23 -0.87 0.00 0.00 176.83 176.33 1rjk n MET 222 N -3.88 2.10 -0.03 4.77 2.81 -0.38 -3.82 117.12 118.69 1rjk n MET 222 Ca -0.02 -1.60 -0.11 0.00 -1.81 0.00 0.00 57.70 54.16 1rjk n MET 222 Cb 0.18 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1rjk n MET 222 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rjk h LEU 223 N 3.86 0.19 -0.34 4.03 5.85 -1.23 -0.54 115.31 127.13 1rjk h LEU 223 Ca 0.00 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1rjk h LEU 223 Cb 0.82 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1rjk h LEU 223 CO 0.00 0.17 0.12 -0.65 -0.34 0.00 0.00 178.44 177.74 1rjk h PRO 224 N 0.19 0.26 -0.36 5.25 0.11 -1.79 0.12 132.00 135.78 1rjk h PRO 224 Ca 0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1rjk h PRO 224 Cb 0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1rjk h PRO 224 CO -0.01 0.17 0.10 1.25 -0.21 0.00 0.00 178.00 179.30 1rjk h HIS 225 N 0.27 0.60 0.00 0.65 -0.00 -1.66 -2.26 115.15 112.76 1rjk h HIS 225 Ca 0.15 -0.07 -0.17 0.00 -0.00 0.00 0.00 60.37 60.28 1rjk h HIS 225 Cb 0.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1rjk h HIS 225 CO -0.14 0.59 -0.83 -0.07 -0.00 0.00 0.00 177.93 177.49 1rjk h LEU 226 N 0.44 0.00 -0.75 0.26 3.38 -1.01 -1.14 115.31 116.49 1rjk h LEU 226 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1rjk h LEU 226 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1rjk h LEU 226 CO -0.00 0.83 0.38 0.00 0.09 0.00 0.00 178.44 179.73 1rjk h ALA 227 N 1.17 0.97 -0.47 1.53 0.00 -0.73 0.49 119.26 122.22 1rjk h ALA 227 Ca -0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1rjk h ALA 227 Cb 1.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1rjk h ALA 227 CO 0.11 0.52 0.01 -0.44 0.00 0.00 0.00 179.25 179.45 1rjk h ASP 228 N 1.05 0.81 -0.31 0.00 3.45 -1.16 0.31 116.42 120.58 1rjk h ASP 228 Ca 0.26 -0.30 0.01 0.00 0.43 0.00 0.00 57.03 57.43 1rjk h ASP 228 Cb 0.09 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1rjk h ASP 228 CO -0.04 0.91 0.18 0.25 -1.57 0.00 0.00 179.24 178.98 1rjk h LEU 229 N 0.68 0.29 -0.66 1.55 5.85 -0.96 -0.10 115.31 121.96 1rjk h LEU 229 Ca 0.14 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1rjk h LEU 229 Cb 0.49 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1rjk h LEU 229 CO 0.02 0.21 0.20 0.58 -0.34 0.00 0.00 178.44 179.11 1rjk h VAL 230 N 0.37 1.25 -0.36 1.05 2.07 -0.74 -0.72 116.25 119.17 1rjk h VAL 230 Ca 0.12 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1rjk h VAL 230 Cb -0.00 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1rjk h VAL 230 CO -0.06 0.34 0.15 -1.28 0.02 0.00 0.00 177.57 176.74 1rjk h SER 231 N 0.97 0.49 -0.81 0.57 0.87 -0.62 0.16 113.55 115.16 1rjk h SER 231 Ca 0.21 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1rjk h SER 231 Cb 0.31 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1rjk h SER 231 CO -0.01 0.51 0.53 0.22 -0.53 0.00 0.00 176.83 177.55 1rjk h TYR 232 N 0.43 0.99 -0.22 2.24 3.20 -0.93 -2.53 116.97 120.15 1rjk h TYR 232 Ca 0.12 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 1rjk h TYR 232 Cb 0.17 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1rjk h TYR 232 CO -0.01 0.59 -0.43 0.77 -1.64 0.00 0.00 178.16 177.44 1rjk h SER 233 N 1.04 0.57 -0.44 -2.11 0.02 -0.29 -1.83 113.55 110.51 1rjk h SER 233 Ca 0.31 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1rjk h SER 233 Cb -0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1rjk h SER 233 CO -0.09 0.93 0.26 0.40 -1.14 0.00 0.00 176.83 177.19 1rjk h ILE 234 N 0.44 1.14 -0.67 3.27 2.04 -0.40 0.27 117.51 123.60 1rjk h ILE 234 Ca 0.03 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.65 1rjk h ILE 234 Cb 0.94 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1rjk h ILE 234 CO 0.08 0.15 0.29 1.56 0.00 0.00 0.00 178.15 180.23 1rjk h GLN 235 N 0.59 0.48 -0.27 2.37 4.20 -1.01 -0.56 115.11 120.91 1rjk h GLN 235 Ca 0.16 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 1rjk h GLN 235 Cb 0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1rjk h GLN 235 CO -0.03 0.32 -0.44 0.87 -0.67 0.00 0.00 178.83 178.88 1rjk h LYS 236 N 0.49 0.68 -0.80 1.46 1.79 -1.02 -1.84 116.57 117.33 1rjk h LYS 236 Ca 0.34 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1rjk h LYS 236 Cb 0.41 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1rjk h LYS 236 CO -0.30 0.98 0.41 0.28 -1.08 0.00 0.00 179.45 179.74 1rjk h VAL 237 N 0.55 1.25 -0.56 0.50 2.07 -0.52 -0.71 116.25 118.82 1rjk h VAL 237 Ca 0.04 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1rjk h VAL 237 Cb 0.98 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1rjk h VAL 237 CO 0.09 0.29 0.33 0.40 0.02 0.00 0.00 177.57 178.70 1rjk h ILE 238 N 1.12 1.17 -0.45 4.57 2.04 -0.90 0.81 117.51 125.87 1rjk h ILE 238 Ca 0.28 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1rjk h ILE 238 Cb 0.08 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1rjk h ILE 238 CO -0.04 0.18 0.10 1.23 0.00 0.00 0.00 178.15 179.62 1rjk h GLY 239 N 0.76 0.73 0.61 5.37 0.00 -1.00 -2.07 103.07 107.47 1rjk h GLY 239 Ca 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1rjk h GLY 239 CO -0.04 0.38 -0.04 -2.75 0.00 0.00 0.00 176.54 174.09 1rjk h PHE 240 N 0.66 0.15 -0.93 5.60 3.57 -0.81 -3.29 116.94 121.89 1rjk h PHE 240 Ca 0.15 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1rjk h PHE 240 Cb 0.26 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1rjk h PHE 240 CO 0.01 0.55 0.60 0.00 -2.23 0.00 0.00 178.31 177.25 1rjk h ALA 241 N 0.57 1.59 0.00 2.41 0.00 -0.51 -1.69 119.26 121.63 1rjk h ALA 241 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rjk h ALA 241 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rjk h ALA 241 CO 0.01 0.22 -0.16 0.87 0.00 0.00 0.00 179.25 180.19 1rjk h LYS 242 N 0.94 0.00 -0.00 0.00 1.57 -1.45 -2.09 116.57 115.54 1rjk h LYS 242 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1rjk h LYS 242 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1rjk h LYS 242 CO -0.20 0.16 -0.15 -1.33 -0.57 0.00 0.00 179.45 177.37 1rjk n MET 243 N -3.85 0.72 -2.12 3.15 2.81 -0.64 -4.57 117.12 112.62 1rjk n MET 243 Ca -0.02 -0.30 -0.42 0.00 -1.81 0.00 0.00 57.70 55.14 1rjk n MET 243 Cb 0.26 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1rjk n MET 243 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1rjk s ILE 244 N -2.49 3.67 -0.04 2.02 1.01 -0.79 -4.83 121.20 119.76 1rjk s ILE 244 Ca 0.27 0.92 -0.36 0.00 0.00 0.00 0.00 60.65 61.49 1rjk s ILE 244 Cb 0.20 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.93 1rjk s ILE 244 CO 0.49 -0.05 1.69 -2.65 0.00 0.00 0.00 174.94 174.41 1rjk n PRO 245 N 6.40 1.78 0.00 2.79 -0.02 -1.26 -0.82 135.00 143.87 1rjk n PRO 245 Ca 0.15 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1rjk n PRO 245 Cb 0.43 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1rjk n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjk n GLY 246 N 3.80 3.16 0.35 -1.23 0.00 -1.26 -4.91 105.19 105.09 1rjk n GLY 246 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1rjk n GLY 246 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rjk h PHE 247 N 0.00 0.91 0.00 1.61 3.57 -1.29 -1.64 116.94 120.10 1rjk h PHE 247 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1rjk h PHE 247 Cb 0.00 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 1rjk h PHE 247 CO 0.00 0.53 -0.02 0.07 -2.23 0.00 0.00 178.31 176.66 1rjk h ARG 248 N 0.94 0.00 -0.00 1.11 0.11 -1.81 -2.33 114.38 112.41 1rjk h ARG 248 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1rjk h ARG 248 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1rjk h ARG 248 CO -0.09 0.02 -0.12 -0.25 0.10 0.00 0.00 179.97 179.62 1rjk n ASP 249 N -3.72 0.32 -4.88 0.08 8.00 -0.62 -4.85 116.55 110.88 1rjk n ASP 249 Ca -0.03 -0.29 -0.30 0.00 0.71 0.00 0.00 54.79 54.88 1rjk n ASP 249 Cb 0.10 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1rjk n ASP 249 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rjk s LEU 250 N -2.64 3.25 0.68 0.64 1.43 -0.88 -5.05 118.68 116.11 1rjk s LEU 250 Ca 0.24 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.53 1rjk s LEU 250 Cb 0.20 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1rjk s LEU 250 CO 0.51 -0.89 1.06 0.42 0.23 0.00 0.00 176.35 177.68 1rjk s THR 251 N -3.14 3.94 0.34 5.49 -4.23 -1.26 -4.85 115.64 111.93 1rjk s THR 251 Ca 0.54 0.69 0.03 0.00 -1.18 0.00 0.00 61.69 61.77 1rjk s THR 251 Cb -0.11 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.58 1rjk s THR 251 CO 0.52 -0.76 1.95 0.77 -0.54 0.00 0.00 174.62 176.56 1rjk h SER 252 N -0.48 0.65 -0.40 3.99 4.64 -1.96 -0.08 113.55 119.91 1rjk h SER 252 Ca -0.44 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1rjk h SER 252 Cb 1.21 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 1rjk h SER 252 CO 0.57 0.55 0.21 0.44 -0.87 0.00 0.00 176.83 177.74 1rjk h ASP 253 N 0.72 0.33 0.11 4.97 5.19 -1.99 -0.19 116.42 125.55 1rjk h ASP 253 Ca 0.18 0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.43 1rjk h ASP 253 Cb 0.08 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 1rjk h ASP 253 CO -0.02 0.24 -0.64 0.44 -3.12 0.00 0.00 179.24 176.14 1rjk h ASP 254 N 0.44 0.59 -0.36 6.45 3.45 -1.81 -1.43 116.42 123.75 1rjk h ASP 254 Ca 0.16 -0.35 0.06 0.00 0.43 0.00 0.00 57.03 57.34 1rjk h ASP 254 Cb 0.05 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 38.59 1rjk h ASP 254 CO -0.10 1.08 0.02 1.56 -1.57 0.00 0.00 179.24 180.23 1rjk h GLN 255 N 0.37 0.12 0.15 3.56 4.20 -0.75 -0.40 115.11 122.36 1rjk h GLN 255 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1rjk h GLN 255 Cb 1.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1rjk h GLN 255 CO 0.12 0.08 -0.16 0.82 -0.67 0.00 0.00 178.83 179.02 1rjk h ILE 256 N 0.12 0.65 -1.00 2.54 2.04 -0.94 -1.57 117.51 119.35 1rjk h ILE 256 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 1rjk h ILE 256 Cb 0.23 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1rjk h ILE 256 CO -0.27 0.00 0.65 0.58 0.00 0.00 0.00 178.15 179.10 1rjk h VAL 257 N -0.34 1.09 -0.39 1.67 2.07 -1.02 -1.09 116.25 118.24 1rjk h VAL 257 Ca 0.01 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 66.96 1rjk h VAL 257 Cb 0.33 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1rjk h VAL 257 CO -0.05 0.22 -0.38 -0.07 0.02 0.00 0.00 177.57 177.31 1rjk h LEU 258 N 1.18 1.01 -0.19 2.57 3.38 -0.80 -2.58 115.31 119.89 1rjk h LEU 258 Ca 0.43 -0.46 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1rjk h LEU 258 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1rjk h LEU 258 CO -0.17 1.26 -0.53 -0.07 0.09 0.00 0.00 178.44 179.02 1rjk h LEU 259 N 0.77 0.79 -0.86 1.67 3.38 -1.07 -1.86 115.31 118.13 1rjk h LEU 259 Ca 0.06 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.46 1rjk h LEU 259 Cb 0.97 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1rjk h LEU 259 CO 0.09 1.23 0.57 0.50 0.09 0.00 0.00 178.44 180.92 1rjk h LYS 260 N 0.38 1.14 0.00 1.13 3.64 -1.21 0.14 116.57 121.79 1rjk h LYS 260 Ca -0.01 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1rjk h LYS 260 Cb 1.15 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1rjk h LYS 260 CO 0.11 0.76 -0.72 0.66 -2.27 0.00 0.00 179.45 177.99 1rjk h SER 261 N 1.17 0.00 0.00 4.20 4.64 -1.43 -3.36 113.55 118.77 1rjk h SER 261 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1rjk h SER 261 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1rjk h SER 261 CO -0.07 0.58 -1.58 -1.54 -0.87 0.00 0.00 176.83 173.35 1rjk n SER 262 N -3.18 0.43 -0.13 4.97 3.41 -0.70 -4.67 113.62 113.75 1rjk n SER 262 Ca -0.00 -0.41 -0.06 0.00 -0.26 0.00 0.00 58.87 58.13 1rjk n SER 262 Cb 0.78 1.58 -0.00 0.00 -0.26 0.00 0.00 64.21 66.31 1rjk n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjk h ALA 263 N 2.39 -0.08 -0.53 7.33 0.00 -1.11 0.94 119.26 128.19 1rjk h ALA 263 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rjk h ALA 263 Cb 0.79 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1rjk h ALA 263 CO 0.00 -0.67 0.22 0.97 0.00 0.00 0.00 179.25 179.77 1rjk h ILE 264 N -0.21 1.19 -0.32 0.00 6.09 -1.85 -1.18 117.51 121.24 1rjk h ILE 264 Ca 0.19 -0.59 -0.05 0.00 -1.37 0.00 0.00 64.86 63.04 1rjk h ILE 264 Cb 0.52 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 1rjk h ILE 264 CO -0.55 0.23 -0.00 -0.33 -3.07 0.00 0.00 178.15 174.43 1rjk h GLU 265 N 0.75 0.56 -0.22 2.19 5.08 -1.33 -0.21 114.58 121.41 1rjk h GLU 265 Ca 0.18 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1rjk h GLU 265 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rjk h GLU 265 CO -0.02 0.70 -0.28 0.28 -1.00 0.00 0.00 179.01 178.69 1rjk h VAL 266 N 0.36 1.27 -0.50 3.13 2.07 -0.69 0.97 116.25 122.87 1rjk h VAL 266 Ca 0.09 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1rjk h VAL 266 Cb 0.45 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1rjk h VAL 266 CO 0.02 0.41 0.22 0.40 0.02 0.00 0.00 177.57 178.64 1rjk h ILE 267 N 0.38 1.20 -0.27 4.57 2.04 -1.03 0.26 117.51 124.66 1rjk h ILE 267 Ca 0.05 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1rjk h ILE 267 Cb 0.69 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1rjk h ILE 267 CO 0.05 0.23 0.13 0.24 0.00 0.00 0.00 178.15 178.80 1rjk h MET 268 N 0.66 0.27 0.14 2.37 2.86 -0.59 -0.17 114.93 120.47 1rjk h MET 268 Ca 0.17 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1rjk h MET 268 Cb 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1rjk h MET 268 CO -0.02 0.18 -0.07 -0.07 1.06 0.00 0.00 176.91 178.00 1rjk h LEU 269 N 0.28 -0.16 -1.25 1.22 3.38 -0.57 -3.12 115.31 115.09 1rjk h LEU 269 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1rjk h LEU 269 Cb 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1rjk h LEU 269 CO -0.08 -0.03 -0.34 0.08 0.09 0.00 0.00 178.44 178.16 1rjk h ARG 270 N -0.27 0.06 0.00 1.13 0.11 -0.40 -1.62 114.38 113.39 1rjk h ARG 270 Ca -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1rjk h ARG 270 Cb 0.22 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1rjk h ARG 270 CO 0.03 0.39 0.00 0.66 0.10 0.00 0.00 179.97 181.15 1rjk h SER 271 N 0.05 0.00 -0.03 0.08 4.64 -0.96 -2.69 113.55 114.65 1rjk h SER 271 Ca 0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1rjk h SER 271 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1rjk h SER 271 CO 0.05 0.00 0.02 -1.13 -0.87 0.00 0.00 176.83 174.90 1rjk h ASN 272 N 0.00 0.00 -0.11 4.97 -0.73 -1.30 -1.55 115.58 116.86 1rjk h ASN 272 Ca 0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1rjk h ASN 272 Cb 0.15 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1rjk h ASN 272 CO 0.00 0.00 -0.05 -0.61 -0.37 0.00 0.00 177.43 176.40 1rjk h GLN 273 N 0.00 0.38 0.00 6.67 4.15 -1.68 -2.90 115.11 121.73 1rjk h GLN 273 Ca 0.01 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1rjk h GLN 273 Cb 0.06 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1rjk h GLN 273 CO -0.00 0.45 -1.22 -1.13 -1.93 0.00 0.00 178.83 175.01 1rjk n SER 274 N -4.29 0.60 -4.76 -0.69 3.41 -0.77 -4.95 113.62 102.16 1rjk n SER 274 Ca 0.00 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.32 1rjk n SER 274 Cb 0.25 0.86 -0.01 0.00 -0.26 0.00 0.00 64.21 65.05 1rjk n SER 274 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1rjk s PHE 275 N -3.35 2.84 -0.04 7.33 5.36 -0.66 -1.06 117.98 128.41 1rjk s PHE 275 Ca -0.01 1.15 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 1rjk s PHE 275 Cb 0.12 -3.89 0.01 0.00 -0.34 0.00 0.00 43.02 38.92 1rjk s PHE 275 CO 0.82 -2.70 -0.09 -0.08 -1.46 0.00 0.00 175.22 171.71 1rjk s THR 276 N -0.71 0.84 -1.19 0.12 -1.32 0.16 -4.90 115.64 108.66 1rjk s THR 276 Ca 0.55 -0.37 0.29 0.00 -1.21 0.00 0.00 61.69 60.95 1rjk s THR 276 Cb -0.44 -0.77 0.37 0.00 -1.51 0.00 0.00 72.50 70.15 1rjk s THR 276 CO 0.54 0.27 1.98 0.23 -2.21 0.00 0.00 174.62 175.43 1rjk n MET 277 N 3.48 0.19 -0.10 7.08 2.81 -1.26 -1.04 117.12 128.27 1rjk n MET 277 Ca -0.20 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.64 1rjk n MET 277 Cb 0.53 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.55 1rjk n MET 277 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1rjk h ASP 278 N 0.00 -0.34 0.00 7.83 5.19 -1.94 -3.31 116.42 123.85 1rjk h ASP 278 Ca 0.00 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1rjk h ASP 278 Cb 0.40 0.23 -0.17 0.00 0.18 0.00 0.00 39.33 39.96 1rjk h ASP 278 CO 0.00 -0.12 -0.70 -0.90 -3.12 0.00 0.00 179.24 174.40 1rjk n ASP 279 N -5.29 0.83 -3.67 6.45 5.75 -1.24 -5.03 116.55 114.35 1rjk n ASP 279 Ca 0.01 -2.29 -0.22 0.00 -0.01 0.00 0.00 54.79 52.28 1rjk n ASP 279 Cb 0.20 -0.30 0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1rjk n ASP 279 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1rjk n MET 280 N -0.02 -4.60 -4.12 0.11 2.81 -0.21 -4.98 117.12 106.12 1rjk n MET 280 Ca 0.06 0.63 -0.08 0.00 -1.81 0.00 0.00 57.70 56.49 1rjk n MET 280 Cb 0.89 -5.16 -0.10 0.00 -0.71 0.00 0.00 33.22 28.15 1rjk n MET 280 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rjk s SER 281 N -4.27 0.46 -0.45 7.83 1.04 -0.85 -4.54 113.70 112.92 1rjk s SER 281 Ca 0.05 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.21 1rjk s SER 281 Cb -0.01 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1rjk s SER 281 CO 0.81 -0.65 0.48 0.26 0.98 0.00 0.00 173.24 175.13 1rjk s TRP 282 N -3.96 3.15 -0.53 5.02 0.51 0.23 0.40 118.94 123.76 1rjk s TRP 282 Ca 0.15 -0.49 -0.16 0.00 -2.12 0.00 0.00 56.10 53.47 1rjk s TRP 282 Cb 0.08 -3.11 0.12 0.00 -0.81 0.00 0.00 33.47 29.75 1rjk s TRP 282 CO -0.04 -0.80 0.50 0.34 -0.51 0.00 0.00 176.95 176.43 1rjk s ASP 283 N 2.16 6.18 -0.61 2.95 2.15 -0.22 -0.61 116.67 128.68 1rjk s ASP 283 Ca 0.12 -1.71 -0.00 0.00 0.43 0.00 0.00 52.55 51.39 1rjk s ASP 283 Cb -0.19 -2.21 0.50 0.00 -0.30 0.00 0.00 42.92 40.73 1rjk s ASP 283 CO 0.12 -0.85 1.99 0.00 -0.17 0.00 0.00 175.17 176.27 1rjk n GLY 285 N -0.97 2.62 3.29 0.00 0.00 -1.26 -4.78 105.19 104.09 1rjk n GLY 285 Ca 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1rjk n GLY 285 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rjk s SER 286 N -0.96 -0.12 0.43 1.61 1.04 -1.26 -5.04 113.70 109.40 1rjk s SER 286 Ca 0.00 -0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1rjk s SER 286 Cb 0.00 0.44 0.95 0.00 0.10 0.00 0.00 66.02 67.50 1rjk s SER 286 CO 0.00 -0.82 2.07 1.56 0.98 0.00 0.00 173.24 177.03 1rjk h GLN 287 N 2.48 0.41 -0.76 4.02 1.08 -1.95 -0.41 115.11 119.98 1rjk h GLN 287 Ca -0.34 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1rjk h GLN 287 Cb 1.24 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.54 1rjk h GLN 287 CO 0.49 0.28 0.44 -0.44 -0.95 0.00 0.00 178.83 178.65 1rjk h ASP 288 N 0.42 0.92 -1.32 1.46 3.45 -1.98 -3.06 116.42 116.30 1rjk h ASP 288 Ca 0.11 -0.06 -0.66 0.00 0.43 0.00 0.00 57.03 56.85 1rjk h ASP 288 Cb -0.03 -0.23 -0.34 0.00 -0.56 0.00 0.00 39.33 38.17 1rjk h ASP 288 CO -0.02 0.72 0.21 -1.22 -1.57 0.00 0.00 179.24 177.36 1rjk n TYR 289 N -4.37 3.10 -4.03 4.55 0.53 -0.21 -4.85 117.16 111.88 1rjk n TYR 289 Ca 0.08 -2.68 -0.31 0.00 -1.02 0.00 0.00 57.90 53.97 1rjk n TYR 289 Cb 0.08 -0.85 -0.16 0.00 -1.03 0.00 0.00 39.34 37.38 1rjk n TYR 289 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1rjk s LYS 290 N -3.79 2.30 -0.17 -0.72 2.20 -0.92 -0.15 119.74 118.49 1rjk s LYS 290 Ca 0.55 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1rjk s LYS 290 Cb 0.45 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1rjk s LYS 290 CO -0.15 -0.35 -0.10 0.71 -0.36 0.00 0.00 175.35 175.10 1rjk s TYR 291 N 1.37 2.87 0.34 4.03 1.51 0.22 -4.93 117.35 122.76 1rjk s TYR 291 Ca 0.01 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.18 1rjk s TYR 291 Cb -0.15 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1rjk s TYR 291 CO -0.09 -0.43 0.10 -0.40 -1.11 0.00 0.00 175.55 173.62 1rjk n ASP 292 N 4.19 2.63 -0.33 2.29 3.85 -1.26 -0.60 116.55 127.33 1rjk n ASP 292 Ca -0.19 -2.38 0.11 0.00 -0.71 0.00 0.00 54.79 51.63 1rjk n ASP 292 Cb 0.52 0.13 0.29 0.00 -1.35 0.00 0.00 41.12 40.71 1rjk n ASP 292 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 1rjk h VAL 293 N 0.96 0.66 -0.34 2.12 -1.51 -1.95 -2.39 116.25 113.81 1rjk h VAL 293 Ca -0.26 -0.22 -0.15 0.00 -1.23 0.00 0.00 66.70 64.84 1rjk h VAL 293 Cb 0.84 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1rjk h VAL 293 CO 0.42 0.12 -0.38 0.71 -1.23 0.00 0.00 177.57 177.21 1rjk h THR 294 N 0.65 1.28 -0.63 7.19 1.35 -1.99 -2.00 112.91 118.76 1rjk h THR 294 Ca 0.54 -1.56 0.07 0.00 -0.55 0.00 0.00 66.41 64.92 1rjk h THR 294 Cb 0.87 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 68.71 1rjk h THR 294 CO -0.41 0.51 0.30 0.44 -0.25 0.00 0.00 175.52 176.12 1rjk h ASP 295 N 0.65 0.40 -0.06 5.36 3.32 -1.83 0.75 116.42 125.01 1rjk h ASP 295 Ca 0.05 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1rjk h ASP 295 Cb 0.97 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1rjk h ASP 295 CO 0.09 0.25 -0.29 0.58 -1.72 0.00 0.00 179.24 178.15 1rjk h VAL 296 N 0.55 1.28 -0.01 -1.35 2.07 -1.30 -2.21 116.25 115.27 1rjk h VAL 296 Ca 0.30 -1.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1rjk h VAL 296 Cb 0.27 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1rjk h VAL 296 CO -0.23 0.43 -0.47 0.77 0.02 0.00 0.00 177.57 178.09 1rjk h SER 297 N 0.45 0.03 0.00 0.57 4.64 -0.78 -1.99 113.55 116.47 1rjk h SER 297 Ca 0.06 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1rjk h SER 297 Cb 0.74 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1rjk h SER 297 CO 0.06 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 176.80 1rjk n LYS 298 N -3.98 0.66 -0.21 4.77 5.02 0.20 -1.59 118.16 123.03 1rjk n LYS 298 Ca -0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 1rjk n LYS 298 Cb 0.49 -1.30 0.19 0.00 -0.02 0.00 0.00 35.03 34.39 1rjk n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rjk n ALA 299 N -0.80 2.29 -0.04 7.82 0.00 -0.75 -1.25 120.51 127.77 1rjk n ALA 299 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1rjk n ALA 299 Cb 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1rjk n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rjk n GLY 300 N 0.93 0.98 3.56 0.00 0.00 -0.62 -4.74 105.19 105.30 1rjk n GLY 300 Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1rjk n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rjk s HIS 301 N -2.00 2.63 0.44 1.61 3.76 -1.22 -4.85 115.29 115.66 1rjk s HIS 301 Ca 0.00 -0.22 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 1rjk s HIS 301 Cb 0.00 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 1rjk s HIS 301 CO 0.00 0.50 0.32 0.95 -0.85 0.00 0.00 174.74 175.66 1rjk s THR 302 N -1.64 2.37 0.60 1.30 -4.23 -1.26 -4.23 115.64 108.56 1rjk s THR 302 Ca 0.24 -1.48 0.31 0.00 -1.18 0.00 0.00 61.69 59.59 1rjk s THR 302 Cb -0.09 -2.85 0.37 0.00 1.34 0.00 0.00 72.50 71.27 1rjk s THR 302 CO 0.15 0.00 2.24 -0.07 -0.54 0.00 0.00 174.62 176.39 1rjk h LEU 303 N 1.10 0.00 -1.66 4.79 3.38 -1.98 -0.81 115.31 120.13 1rjk h LEU 303 Ca -0.41 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.76 1rjk h LEU 303 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1rjk h LEU 303 CO 0.61 0.00 0.57 -0.33 0.09 0.00 0.00 178.44 179.38 1rjk h GLU 304 N 0.00 0.29 0.01 1.13 4.39 -2.00 -0.63 114.58 117.77 1rjk h GLU 304 Ca 0.02 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1rjk h GLU 304 Cb 0.10 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1rjk h GLU 304 CO -0.00 0.19 -1.85 -0.11 -1.16 0.00 0.00 179.01 176.08 1rjk n LEU 305 N -4.45 2.06 -0.17 1.33 7.94 -0.72 -4.60 117.00 118.39 1rjk n LEU 305 Ca 0.17 0.33 -0.11 0.00 -1.11 0.00 0.00 56.01 55.30 1rjk n LEU 305 Cb 0.70 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.72 1rjk n LEU 305 CO 0.33 0.49 0.74 0.40 -1.11 0.00 0.00 177.39 178.24 1rjk h ILE 306 N -0.80 1.27 0.36 1.96 2.04 -0.83 -1.20 117.51 120.30 1rjk h ILE 306 Ca -0.49 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 1rjk h ILE 306 Cb 1.53 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1rjk h ILE 306 CO -0.24 0.43 -0.18 -0.08 0.00 0.00 0.00 178.15 178.09 1rjk h GLU 307 N 0.80 -0.47 0.00 2.37 4.22 -1.38 -0.28 114.58 119.84 1rjk h GLU 307 Ca 0.13 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.57 1rjk h GLU 307 Cb 0.66 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1rjk h GLU 307 CO 0.05 -0.31 -0.14 -1.00 -2.18 0.00 0.00 179.01 175.42 1rjk h PRO 308 N -0.49 0.00 -0.15 0.92 0.13 -1.74 -1.28 132.00 129.39 1rjk h PRO 308 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1rjk h PRO 308 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1rjk h PRO 308 CO 0.08 0.14 0.05 1.25 -0.23 0.00 0.00 178.00 179.29 1rjk h LEU 309 N 0.00 0.22 -0.44 1.56 5.85 -0.79 0.15 115.31 121.86 1rjk h LEU 309 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1rjk h LEU 309 Cb 0.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1rjk h LEU 309 CO 0.02 0.36 0.22 0.40 -0.34 0.00 0.00 178.44 179.10 1rjk h ILE 310 N 0.07 1.18 -0.75 4.05 1.08 -0.84 -0.66 117.51 121.64 1rjk h ILE 310 Ca 0.05 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1rjk h ILE 310 Cb 0.22 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 1rjk h ILE 310 CO -0.00 0.19 0.44 0.11 -0.69 0.00 0.00 178.15 178.20 1rjk h LYS 311 N 0.58 1.01 -0.07 2.37 1.57 -1.12 -0.13 116.57 120.77 1rjk h LYS 311 Ca 0.15 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1rjk h LYS 311 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1rjk h LYS 311 CO -0.02 0.71 -0.06 0.35 -0.57 0.00 0.00 179.45 179.87 1rjk h PHE 312 N 1.03 -0.13 -0.83 -1.35 3.57 -0.25 -1.90 116.94 117.08 1rjk h PHE 312 Ca 0.27 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1rjk h PHE 312 Cb -0.03 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1rjk h PHE 312 CO 0.00 -0.09 0.42 1.96 -2.23 0.00 0.00 178.31 178.37 1rjk h GLN 313 N -0.06 1.17 -0.18 1.11 1.08 -0.29 0.81 115.11 118.75 1rjk h GLN 313 Ca 0.05 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1rjk h GLN 313 Cb 0.14 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1rjk h GLN 313 CO -0.12 0.88 -0.01 0.28 -0.95 0.00 0.00 178.83 178.91 1rjk h VAL 314 N 1.17 1.26 -0.04 -0.54 2.07 -0.97 -0.47 116.25 118.74 1rjk h VAL 314 Ca 0.29 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1rjk h VAL 314 Cb 0.08 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1rjk h VAL 314 CO -0.04 0.27 -0.37 1.23 0.02 0.00 0.00 177.57 178.68 1rjk h GLY 315 N 0.06 0.08 0.53 2.17 0.00 -0.86 -0.57 103.07 104.48 1rjk h GLY 315 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1rjk h GLY 315 CO 0.01 0.06 -0.06 -2.00 0.00 0.00 0.00 176.54 174.55 1rjk h LEU 316 N 0.06 0.12 -0.60 3.11 5.85 -0.72 -3.05 115.31 120.08 1rjk h LEU 316 Ca 0.01 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.30 1rjk h LEU 316 Cb 0.68 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 1rjk h LEU 316 CO 0.05 0.65 -0.07 0.11 -0.34 0.00 0.00 178.44 178.84 1rjk h LYS 317 N -0.41 0.06 0.00 1.25 1.79 -0.80 -1.62 116.57 116.84 1rjk h LYS 317 Ca 0.00 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rjk h LYS 317 Cb 0.62 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1rjk h LYS 317 CO 0.01 0.04 -0.01 0.87 -1.08 0.00 0.00 179.45 179.28 1rjk h LYS 318 N 0.06 0.00 0.00 3.15 1.57 -1.09 0.11 116.57 120.37 1rjk h LYS 318 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1rjk h LYS 318 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1rjk h LYS 318 CO -0.57 0.01 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.22 1rjk h LEU 319 N 0.00 0.00 -2.29 2.94 3.38 -1.18 -3.47 115.31 114.69 1rjk h LEU 319 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1rjk h LEU 319 Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.85 1rjk h LEU 319 CO 0.00 0.04 -0.88 0.59 0.09 0.00 0.00 178.44 178.28 1rjk n ASN 320 N -3.19 -2.65 -4.77 -0.43 5.03 0.02 -4.86 115.26 104.41 1rjk n ASN 320 Ca -0.00 -0.91 -0.40 0.00 0.87 0.00 0.00 54.58 54.14 1rjk n ASN 320 Cb 0.26 -3.73 -0.00 0.00 -1.02 0.00 0.00 39.78 35.29 1rjk n ASN 320 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rjk s LEU 321 N -6.57 4.23 0.60 3.41 1.43 -1.26 -4.99 118.68 115.53 1rjk s LEU 321 Ca 0.18 2.69 -0.18 0.00 -1.03 0.00 0.00 54.13 55.79 1rjk s LEU 321 Cb -0.06 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 1rjk s LEU 321 CO 0.84 -0.84 1.17 -1.00 0.23 0.00 0.00 176.35 176.75 1rjk s HIS 322 N -1.24 2.47 0.41 0.29 3.76 -1.26 -4.84 115.29 114.88 1rjk s HIS 322 Ca 0.56 1.54 0.14 0.00 -0.15 0.00 0.00 55.06 57.14 1rjk s HIS 322 Cb -0.39 -3.38 0.99 0.00 1.11 0.00 0.00 32.58 30.90 1rjk s HIS 322 CO 0.50 -1.99 1.91 1.49 -0.85 0.00 0.00 174.74 175.81 1rjk h GLU 323 N 0.76 0.48 -0.96 1.40 4.81 -1.99 0.62 114.58 119.70 1rjk h GLU 323 Ca -0.50 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1rjk h GLU 323 Cb 1.28 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1rjk h GLU 323 CO 0.55 0.32 0.64 0.93 -0.73 0.00 0.00 179.01 180.71 1rjk h GLU 324 N 0.49 1.26 -0.13 1.92 3.07 -1.96 -1.19 114.58 118.03 1rjk h GLU 324 Ca 0.38 -0.08 -0.23 0.00 -0.50 0.00 0.00 59.36 58.94 1rjk h GLU 324 Cb 0.79 -0.28 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1rjk h GLU 324 CO -0.14 0.83 -0.81 0.93 -1.40 0.00 0.00 179.01 178.42 1rjk h GLU 325 N 1.29 0.77 -0.40 2.33 5.08 -1.30 -2.52 114.58 119.84 1rjk h GLU 325 Ca 0.36 -0.65 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1rjk h GLU 325 Cb -0.13 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1rjk h GLU 325 CO -0.08 1.26 0.11 1.25 -1.00 0.00 0.00 179.01 180.55 1rjk h HIS 326 N 0.52 0.19 0.02 4.33 2.76 -0.76 0.78 115.15 122.99 1rjk h HIS 326 Ca -0.06 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 57.93 1rjk h HIS 326 Cb 1.44 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1rjk h HIS 326 CO 0.09 0.06 -0.95 -0.39 -1.30 0.00 0.00 177.93 175.43 1rjk h VAL 327 N 0.26 1.59 -0.62 5.26 -1.51 -1.26 -1.99 116.25 117.97 1rjk h VAL 327 Ca 0.19 -2.97 -0.05 0.00 -1.23 0.00 0.00 66.70 62.63 1rjk h VAL 327 Cb 0.20 2.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.99 1rjk h VAL 327 CO -0.22 0.86 0.18 -0.07 -1.23 0.00 0.00 177.57 177.09 1rjk h LEU 328 N 0.04 0.92 -0.31 4.19 3.38 -1.27 -2.01 115.31 120.26 1rjk h LEU 328 Ca -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1rjk h LEU 328 Cb 1.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1rjk h LEU 328 CO 0.14 0.90 0.18 0.25 0.09 0.00 0.00 178.44 179.99 1rjk h LEU 329 N 0.90 0.38 -0.76 1.67 5.85 -0.55 -0.64 115.31 122.17 1rjk h LEU 329 Ca 0.20 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1rjk h LEU 329 Cb 0.31 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1rjk h LEU 329 CO -0.00 0.34 0.47 0.24 -0.34 0.00 0.00 178.44 179.15 1rjk h MET 330 N 0.39 0.87 -0.47 1.25 2.86 -1.30 -1.13 114.93 117.39 1rjk h MET 330 Ca 0.11 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1rjk h MET 330 Cb 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1rjk h MET 330 CO -0.02 0.57 -0.15 0.00 1.06 0.00 0.00 176.91 178.38 1rjk h ALA 331 N 1.34 0.66 -0.70 6.32 0.00 -1.06 -1.38 119.26 124.43 1rjk h ALA 331 Ca 0.31 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1rjk h ALA 331 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rjk h ALA 331 CO -0.13 0.59 0.25 0.82 0.00 0.00 0.00 179.25 180.78 1rjk h ILE 332 N 0.78 1.25 -0.87 0.00 2.04 -0.96 -1.92 117.51 117.84 1rjk h ILE 332 Ca 0.12 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1rjk h ILE 332 Cb 0.71 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1rjk h ILE 332 CO 0.05 0.32 0.57 0.00 0.00 0.00 0.00 178.15 179.10 1rjk h ILE 334 N 1.15 1.28 -2.01 0.00 2.04 -0.93 -3.34 117.51 115.71 1rjk h ILE 334 Ca 0.32 -1.40 -0.78 0.00 1.00 0.00 0.00 64.86 64.00 1rjk h ILE 334 Cb -0.10 1.39 -0.22 0.00 -0.74 0.00 0.00 36.82 37.15 1rjk h ILE 334 CO -0.08 0.46 1.49 0.52 0.00 0.00 0.00 178.15 180.54 1rjk n VAL 335 N -4.22 5.36 -3.70 1.67 0.31 -0.75 -4.76 118.33 112.24 1rjk n VAL 335 Ca -0.02 -5.28 -0.37 0.00 -0.01 0.00 0.00 64.34 58.65 1rjk n VAL 335 Cb 0.46 -1.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.29 1rjk n VAL 335 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rjk s SER 336 N -0.65 5.37 0.23 4.52 0.01 -1.25 -4.38 113.70 117.55 1rjk s SER 336 Ca 0.40 -0.34 0.24 0.00 1.31 0.00 0.00 55.95 57.57 1rjk s SER 336 Cb 0.13 -1.97 0.92 0.00 0.21 0.00 0.00 66.02 65.31 1rjk s SER 336 CO -0.03 -0.11 1.73 -0.81 0.41 0.00 0.00 173.24 174.44 1rjk n PRO 337 N 4.95 0.21 -0.25 12.44 -0.04 -1.26 -3.20 135.00 147.84 1rjk n PRO 337 Ca -0.15 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1rjk n PRO 337 Cb 0.50 -1.83 0.26 0.00 -0.04 0.00 0.00 33.50 32.40 1rjk n PRO 337 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rjk n ASP 338 N -2.20 3.00 -4.75 3.54 3.85 -1.26 -4.83 116.55 113.89 1rjk n ASP 338 Ca 0.03 -1.97 -0.41 0.00 -0.71 0.00 0.00 54.79 51.73 1rjk n ASP 338 Cb 0.30 -0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 39.72 1rjk n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1rjk s ARG 339 N -1.33 4.23 0.26 0.11 1.81 -1.19 -4.93 118.95 117.89 1rjk s ARG 339 Ca 0.38 2.38 -0.31 0.00 -1.72 0.00 0.00 55.73 56.46 1rjk s ARG 339 Cb 0.20 -3.07 -0.12 0.00 -0.45 0.00 0.00 34.95 31.51 1rjk s ARG 339 CO 0.27 -0.45 1.56 -0.35 -0.68 0.00 0.00 175.30 175.65 1rjk n PRO 340 N 1.89 2.49 -0.21 3.54 -0.04 -1.26 -2.68 135.00 138.72 1rjk n PRO 340 Ca 0.06 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1rjk n PRO 340 Cb 0.40 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1rjk n PRO 340 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rjk n GLY 341 N 2.53 0.72 3.73 0.55 0.00 -1.26 -4.99 105.19 106.47 1rjk n GLY 341 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1rjk n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjk s VAL 342 N -2.51 2.75 -0.18 1.61 1.01 -1.09 -4.95 120.40 117.04 1rjk s VAL 342 Ca 0.00 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 1rjk s VAL 342 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1rjk s VAL 342 CO 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 175.10 174.94 1rjk n GLN 343 N 2.92 0.51 -2.66 2.72 1.13 -1.26 -4.68 117.38 116.06 1rjk n GLN 343 Ca 0.09 0.36 -0.43 0.00 -1.94 0.00 0.00 57.00 55.08 1rjk n GLN 343 Cb 0.40 -1.56 0.01 0.00 0.11 0.00 0.00 30.24 29.20 1rjk n GLN 343 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1rjk n ASP 344 N -4.49 5.59 0.13 1.08 4.64 -1.26 -4.80 116.55 117.44 1rjk n ASP 344 Ca -0.18 -3.20 -0.00 0.00 -1.38 0.00 0.00 54.79 50.02 1rjk n ASP 344 Cb 0.48 -1.41 0.27 0.00 -1.04 0.00 0.00 41.12 39.43 1rjk n ASP 344 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rjk h ALA 345 N 5.78 1.20 -0.78 -1.67 0.00 -1.88 -2.08 119.26 119.83 1rjk h ALA 345 Ca 0.31 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1rjk h ALA 345 Cb 0.65 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1rjk h ALA 345 CO 1.47 0.56 0.32 0.87 0.00 0.00 0.00 179.25 182.46 1rjk h LYS 346 N 0.11 1.17 -0.33 0.00 1.79 -1.94 0.20 116.57 117.57 1rjk h LYS 346 Ca 0.01 -0.21 -0.09 0.00 -2.18 0.00 0.00 60.65 58.18 1rjk h LYS 346 Cb 0.78 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1rjk h LYS 346 CO 0.06 0.94 -0.16 1.25 -1.08 0.00 0.00 179.45 180.46 1rjk h LEU 347 N 1.13 0.72 -0.29 2.94 5.85 -1.86 -0.88 115.31 122.93 1rjk h LEU 347 Ca 0.26 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1rjk h LEU 347 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1rjk h LEU 347 CO -0.02 0.96 0.14 0.58 -0.34 0.00 0.00 178.44 179.76 1rjk h VAL 348 N 0.47 1.15 -0.73 1.05 2.07 -1.05 -0.98 116.25 118.22 1rjk h VAL 348 Ca 0.07 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1rjk h VAL 348 Cb 0.69 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1rjk h VAL 348 CO 0.05 0.16 0.40 -0.08 0.02 0.00 0.00 177.57 178.11 1rjk h GLU 349 N 0.33 0.68 -0.69 1.57 4.81 -0.57 -0.16 114.58 120.55 1rjk h GLU 349 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1rjk h GLU 349 Cb 0.12 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1rjk h GLU 349 CO -0.01 0.45 0.32 0.00 -0.73 0.00 0.00 179.01 179.03 1rjk h ALA 350 N 1.41 0.89 -0.27 2.92 0.00 -0.73 0.93 119.26 124.41 1rjk h ALA 350 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1rjk h ALA 350 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rjk h ALA 350 CO -0.23 0.47 0.06 0.82 0.00 0.00 0.00 179.25 180.37 1rjk h ILE 351 N 0.97 1.22 -0.98 0.00 2.04 -0.69 -2.89 117.51 117.17 1rjk h ILE 351 Ca 0.24 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1rjk h ILE 351 Cb 0.14 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1rjk h ILE 351 CO -0.03 0.24 0.65 -0.61 0.00 0.00 0.00 178.15 178.40 1rjk h GLN 352 N 0.26 1.28 -0.70 2.37 4.15 -0.78 -2.80 115.11 118.89 1rjk h GLN 352 Ca 0.08 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1rjk h GLN 352 Cb 0.30 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1rjk h GLN 352 CO 0.00 0.85 0.23 -0.44 -1.93 0.00 0.00 178.83 177.54 1rjk h ASP 353 N 1.32 0.99 -0.48 -0.69 3.32 -0.69 0.40 116.42 120.59 1rjk h ASP 353 Ca 0.36 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1rjk h ASP 353 Cb -0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 1rjk h ASP 353 CO -0.08 0.92 0.20 -0.09 -1.72 0.00 0.00 179.24 178.46 1rjk h ARG 354 N 1.03 0.77 -0.08 3.56 2.43 -1.30 0.44 114.38 121.23 1rjk h ARG 354 Ca 0.23 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1rjk h ARG 354 Cb 0.28 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1rjk h ARG 354 CO -0.01 0.64 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.60 1rjk h LEU 355 N 0.76 0.50 -0.79 3.80 3.38 -1.07 -2.71 115.31 119.18 1rjk h LEU 355 Ca 0.18 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1rjk h LEU 355 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1rjk h LEU 355 CO -0.02 1.08 0.52 0.28 0.09 0.00 0.00 178.44 180.39 1rjk h SER 356 N -0.04 0.88 0.11 -0.43 0.02 -0.05 -0.68 113.55 113.36 1rjk h SER 356 Ca -0.03 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 1rjk h SER 356 Cb 1.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1rjk h SER 356 CO 0.09 0.62 -0.51 0.78 -1.14 0.00 0.00 176.83 176.68 1rjk h ASN 357 N 1.04 0.49 -0.40 3.07 2.35 -1.00 -1.03 115.58 120.10 1rjk h ASN 357 Ca 0.30 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1rjk h ASN 357 Cb -0.07 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1rjk h ASN 357 CO -0.08 0.91 0.17 0.74 -1.65 0.00 0.00 177.43 177.52 1rjk h THR 358 N 0.35 1.19 -0.31 2.81 2.02 -1.11 -1.40 112.91 116.45 1rjk h THR 358 Ca 0.01 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1rjk h THR 358 Cb 1.01 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1rjk h THR 358 CO 0.09 0.20 0.13 0.25 0.37 0.00 0.00 175.52 176.56 1rjk h LEU 359 N 0.50 0.43 -0.52 2.58 5.85 -0.90 1.00 115.31 124.24 1rjk h LEU 359 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1rjk h LEU 359 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1rjk h LEU 359 CO -0.01 0.47 0.28 1.56 -0.34 0.00 0.00 178.44 180.39 1rjk h GLN 360 N 0.36 0.73 -0.43 1.25 4.20 -1.12 -0.40 115.11 119.70 1rjk h GLN 360 Ca 0.10 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1rjk h GLN 360 Cb 0.17 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1rjk h GLN 360 CO -0.01 0.57 0.05 1.15 -0.67 0.00 0.00 178.83 179.92 1rjk h THR 361 N 0.69 1.25 -0.31 -0.54 2.02 -1.17 -1.73 112.91 113.13 1rjk h THR 361 Ca 0.18 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.48 1rjk h THR 361 Cb 0.06 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1rjk h THR 361 CO -0.03 0.32 0.07 0.22 0.37 0.00 0.00 175.52 176.47 1rjk h TYR 362 N 0.57 0.11 -0.38 3.16 5.03 -0.51 0.02 116.97 124.98 1rjk h TYR 362 Ca 0.13 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.48 1rjk h TYR 362 Cb 0.41 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 1rjk h TYR 362 CO 0.03 0.03 0.20 0.82 -1.32 0.00 0.00 178.16 177.92 1rjk h ILE 363 N 0.18 1.00 -0.78 1.81 2.04 -0.90 0.16 117.51 121.03 1rjk h ILE 363 Ca 0.14 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1rjk h ILE 363 Cb 0.15 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1rjk h ILE 363 CO -0.18 0.07 0.35 0.03 0.00 0.00 0.00 178.15 178.42 1rjk h ARG 364 N 0.41 1.13 0.00 2.37 3.08 -0.93 -2.45 114.38 117.99 1rjk h ARG 364 Ca 0.15 -0.18 -0.29 0.00 0.07 0.00 0.00 59.98 59.74 1rjk h ARG 364 Cb 0.04 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 1rjk h ARG 364 CO -0.09 0.89 -1.76 0.00 -1.07 0.00 0.00 179.97 177.94 1rjk n ARG 366 N -3.00 4.55 -3.65 0.00 5.12 0.55 -4.96 116.66 115.27 1rjk n ARG 366 Ca -0.18 -0.06 -0.39 0.00 -1.93 0.00 0.00 57.85 55.29 1rjk n ARG 366 Cb 1.05 -0.47 -0.11 0.00 -1.16 0.00 0.00 32.46 31.77 1rjk n ARG 366 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1rjk s HIS 367 N -0.67 3.31 0.30 -1.55 2.46 -0.92 -5.01 115.29 113.22 1rjk s HIS 367 Ca 0.00 -1.47 -0.29 0.00 0.47 0.00 0.00 55.06 53.77 1rjk s HIS 367 Cb 0.00 -2.71 -0.10 0.00 -0.13 0.00 0.00 32.58 29.64 1rjk s HIS 367 CO 0.00 -0.79 1.32 -2.14 -2.47 0.00 0.00 174.74 170.66 1rjk s PRO 368 N 1.42 4.35 0.66 2.88 0.02 -1.26 -4.43 135.00 138.64 1rjk s PRO 368 Ca 0.02 2.20 -0.17 0.00 0.02 0.00 0.00 61.00 63.07 1rjk s PRO 368 Cb -0.21 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 1rjk s PRO 368 CO 0.03 -0.22 1.26 -1.25 -0.33 0.00 0.00 177.00 176.48 1rjk s PRO 369 N -1.38 2.52 0.17 5.54 0.04 -1.26 -2.29 135.00 138.34 1rjk s PRO 369 Ca 0.51 1.95 0.26 0.00 0.04 0.00 0.00 61.00 63.76 1rjk s PRO 369 Cb -0.40 -1.86 0.79 0.00 0.04 0.00 0.00 34.50 33.08 1rjk s PRO 369 CO 0.50 -1.59 1.72 -0.35 0.04 0.00 0.00 177.00 177.32 1rjk n PRO 370 N -2.06 0.23 -0.28 0.56 -0.04 -1.26 -4.85 135.00 127.30 1rjk n PRO 370 Ca 0.15 0.16 0.24 0.00 -0.04 0.00 0.00 63.50 64.02 1rjk n PRO 370 Cb 0.49 -1.74 0.57 0.00 -0.04 0.00 0.00 33.50 32.78 1rjk n PRO 370 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1rjk h GLY 371 N 4.59 0.77 1.21 0.55 0.00 -1.81 0.80 103.07 109.18 1rjk h GLY 371 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1rjk h GLY 371 CO 0.00 -0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.34 1rjk n SER 372 N -4.48 0.00 -4.64 0.19 3.41 -1.11 -4.69 113.62 102.31 1rjk n SER 372 Ca 0.23 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 1rjk n SER 372 Cb 0.89 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1rjk n SER 372 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1rjk s HIS 373 N -2.21 1.56 -1.17 7.33 5.04 0.27 -1.92 115.29 124.20 1rjk s HIS 373 Ca 0.33 0.14 0.00 0.00 -1.54 0.00 0.00 55.06 54.00 1rjk s HIS 373 Cb 0.17 -4.05 0.00 0.00 0.04 0.00 0.00 32.58 28.74 1rjk s HIS 373 CO 0.33 -4.27 0.00 1.04 -2.34 0.00 0.00 174.74 169.50 1rjk n GLN 374 N 7.83 -2.06 -0.18 2.88 1.13 -1.26 -4.89 117.38 120.83 1rjk n GLN 374 Ca 0.22 0.66 -0.09 0.00 -1.94 0.00 0.00 57.00 55.85 1rjk n GLN 374 Cb 0.43 -5.22 0.01 0.00 0.11 0.00 0.00 30.24 25.57 1rjk n GLN 374 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1rjk h LEU 375 N 0.00 0.80 -0.43 1.08 5.85 -1.66 -1.17 115.31 119.78 1rjk h LEU 375 Ca -0.31 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1rjk h LEU 375 Cb 1.19 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1rjk h LEU 375 CO 0.38 0.84 0.18 0.22 -0.34 0.00 0.00 178.44 179.72 1rjk h TYR 376 N 0.72 0.64 -0.82 1.25 3.20 -1.90 -0.13 116.97 119.93 1rjk h TYR 376 Ca 0.16 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1rjk h TYR 376 Cb 0.37 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1rjk h TYR 376 CO 0.03 0.54 0.44 0.00 -1.64 0.00 0.00 178.16 177.53 1rjk h ALA 377 N 1.03 1.22 -0.18 1.82 0.00 -1.92 0.20 119.26 121.42 1rjk h ALA 377 Ca 0.14 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1rjk h ALA 377 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rjk h ALA 377 CO -0.01 0.62 -0.38 0.87 0.00 0.00 0.00 179.25 180.35 1rjk h LYS 378 N 1.16 0.39 -0.55 0.00 1.57 -0.86 -0.94 116.57 117.34 1rjk h LYS 378 Ca 0.29 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1rjk h LYS 378 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1rjk h LYS 378 CO -0.04 0.71 -0.07 0.52 -0.57 0.00 0.00 179.45 180.00 1rjk h MET 379 N 0.33 1.02 -0.39 3.15 2.86 -0.58 -2.59 114.93 118.72 1rjk h MET 379 Ca 0.03 -0.36 -0.13 0.00 -2.06 0.00 0.00 59.70 57.18 1rjk h MET 379 Cb 0.82 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1rjk h MET 379 CO 0.07 1.05 -0.27 0.82 1.06 0.00 0.00 176.91 179.63 1rjk h ILE 380 N 0.90 1.27 -0.80 -1.22 1.08 -0.80 -2.42 117.51 115.54 1rjk h ILE 380 Ca 0.15 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.22 1rjk h ILE 380 Cb 0.63 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 1rjk h ILE 380 CO 0.04 0.47 0.53 -0.61 -0.69 0.00 0.00 178.15 177.89 1rjk h GLN 381 N 0.70 0.99 -0.98 2.37 5.75 -1.13 -1.07 115.11 121.74 1rjk h GLN 381 Ca 0.08 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.60 1rjk h GLN 381 Cb 0.81 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.07 1rjk h GLN 381 CO 0.07 0.65 0.63 0.87 -2.65 0.00 0.00 178.83 178.40 1rjk h LYS 382 N 1.02 1.07 -0.91 1.69 1.79 -1.03 0.63 116.57 120.84 1rjk h LYS 382 Ca 0.31 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1rjk h LYS 382 Cb -0.02 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 30.34 1rjk h LYS 382 CO -0.08 0.71 0.57 -0.07 -1.08 0.00 0.00 179.45 179.50 1rjk h LEU 383 N 1.11 1.07 -0.38 2.94 3.38 -0.92 0.14 115.31 122.65 1rjk h LEU 383 Ca 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1rjk h LEU 383 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1rjk h LEU 383 CO -0.18 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.30 1rjk h ALA 384 N 1.39 0.49 -0.92 1.53 0.00 -0.89 -2.78 119.26 118.07 1rjk h ALA 384 Ca 0.33 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1rjk h ALA 384 Cb -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1rjk h ALA 384 CO -0.07 0.10 0.59 -0.44 0.00 0.00 0.00 179.25 179.43 1rjk h ASP 385 N 0.46 0.97 -0.36 0.00 3.45 -0.46 -2.10 116.42 118.38 1rjk h ASP 385 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1rjk h ASP 385 Cb 0.19 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1rjk h ASP 385 CO -0.01 0.64 0.23 -0.07 -1.57 0.00 0.00 179.24 178.46 1rjk h LEU 386 N 1.12 0.43 -0.62 1.55 3.38 -0.78 -2.18 115.31 118.21 1rjk h LEU 386 Ca 0.38 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1rjk h LEU 386 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1rjk h LEU 386 CO -0.15 0.33 0.39 0.03 0.09 0.00 0.00 178.44 179.13 1rjk h ARG 387 N 0.50 0.76 -0.44 1.13 2.47 -1.11 0.17 114.38 117.87 1rjk h ARG 387 Ca 0.13 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 1rjk h ARG 387 Cb -0.03 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1rjk h ARG 387 CO -0.03 0.50 -0.02 0.77 0.56 0.00 0.00 179.97 181.76 1rjk h SER 388 N 0.78 0.77 -0.68 7.04 0.02 -1.45 -1.01 113.55 119.03 1rjk h SER 388 Ca 0.24 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1rjk h SER 388 Cb -0.03 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1rjk h SER 388 CO -0.08 0.90 0.36 -0.07 -1.14 0.00 0.00 176.83 176.81 1rjk h LEU 389 N 0.62 0.87 -0.01 5.07 3.38 -1.26 -1.48 115.31 122.49 1rjk h LEU 389 Ca 0.12 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rjk h LEU 389 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1rjk h LEU 389 CO 0.03 0.72 -0.04 -1.13 0.09 0.00 0.00 178.44 178.11 1rjk h ASN 390 N 0.94 -0.13 -0.54 -0.43 -0.73 -0.35 0.09 115.58 114.42 1rjk h ASN 390 Ca 0.24 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.48 1rjk h ASN 390 Cb 0.06 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 38.67 1rjk h ASN 390 CO -0.04 -0.07 0.29 -0.33 -0.37 0.00 0.00 177.43 176.91 1rjk h GLU 391 N -0.08 0.54 -0.49 6.67 4.39 -1.04 0.11 114.58 124.68 1rjk h GLU 391 Ca 0.02 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1rjk h GLU 391 Cb 0.10 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1rjk h GLU 391 CO -0.05 0.36 -0.17 1.49 -1.16 0.00 0.00 179.01 179.48 1rjk h GLU 392 N 0.55 0.98 -0.44 2.33 4.57 -1.17 -1.68 114.58 119.72 1rjk h GLU 392 Ca 0.24 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1rjk h GLU 392 Cb 0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1rjk h GLU 392 CO -0.16 1.07 0.27 1.25 -1.18 0.00 0.00 179.01 180.26 1rjk h HIS 393 N 0.84 0.58 -0.77 0.92 2.76 -0.62 -1.20 115.15 117.66 1rjk h HIS 393 Ca 0.12 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1rjk h HIS 393 Cb 0.74 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 1rjk h HIS 393 CO 0.05 0.41 0.51 1.03 -1.30 0.00 0.00 177.93 178.63 1rjk h SER 394 N 0.59 0.88 0.13 3.26 0.87 -0.65 0.25 113.55 118.88 1rjk h SER 394 Ca 0.16 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1rjk h SER 394 Cb -0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1rjk h SER 394 CO -0.03 0.63 -0.13 0.50 -0.53 0.00 0.00 176.83 177.27 1rjk h LYS 395 N 1.03 -0.28 -0.24 2.24 3.64 -1.09 -0.55 116.57 121.32 1rjk h LYS 395 Ca 0.29 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1rjk h LYS 395 Cb -0.11 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1rjk h LYS 395 CO -0.07 -0.19 -0.32 1.96 -2.27 0.00 0.00 179.45 178.57 1rjk h GLN 396 N -0.29 0.50 -0.50 1.90 4.20 -0.99 -2.47 115.11 117.46 1rjk h GLN 396 Ca 0.00 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1rjk h GLN 396 Cb 0.28 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1rjk h GLN 396 CO -0.04 0.76 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.89 1rjk h TYR 397 N 0.43 1.03 -0.78 2.96 3.20 -0.36 0.53 116.97 123.97 1rjk h TYR 397 Ca 0.05 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 1rjk h TYR 397 Cb 0.77 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1rjk h TYR 397 CO 0.03 0.98 0.48 -0.09 -1.64 0.00 0.00 178.16 177.92 1rjk h ARG 398 N 0.78 1.05 -0.03 1.82 2.43 -0.95 0.26 114.38 119.75 1rjk h ARG 398 Ca 0.13 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1rjk h ARG 398 Cb 0.62 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1rjk h ARG 398 CO 0.04 0.73 -0.01 1.03 -1.51 0.00 0.00 179.97 180.25 1rjk h SER 399 N 1.06 0.05 -0.20 -3.80 0.87 -1.16 -2.29 113.55 108.09 1rjk h SER 399 Ca 0.28 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1rjk h SER 399 Cb -0.06 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 1rjk h SER 399 CO -0.05 0.42 -0.35 0.25 -0.53 0.00 0.00 176.83 176.56 1rjk h LEU 400 N -0.32 -1.12 -0.10 2.23 6.46 -0.75 -3.14 115.31 118.57 1rjk h LEU 400 Ca 0.01 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1rjk h LEU 400 Cb 0.40 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1rjk h LEU 400 CO 0.00 -0.37 0.00 -1.54 -0.62 0.00 0.00 178.44 175.91 1rjk n SER 401 N -5.42 0.31 0.05 1.25 3.41 0.89 -2.99 113.62 111.13 1rjk n SER 401 Ca -0.02 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 59.10 1rjk n SER 401 Cb 0.34 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 63.89 1rjk n SER 401 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rjk h PHE 402 N 0.00 0.42 -3.03 7.33 3.04 -1.36 -3.40 116.94 119.95 1rjk h PHE 402 Ca 0.00 -0.10 -0.57 0.00 3.98 0.00 0.00 57.97 61.29 1rjk h PHE 402 Cb 0.49 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 1rjk h PHE 402 CO 0.00 0.64 1.01 -0.65 -2.02 0.00 0.00 178.31 177.29 1rjk s GLN 403 N -4.38 3.91 0.54 1.11 -1.52 -1.16 -4.92 119.66 113.25 1rjk s GLN 403 Ca -0.06 1.39 0.23 0.00 -1.95 0.00 0.00 55.36 54.97 1rjk s GLN 403 Cb 0.14 -3.91 1.51 0.00 -0.22 0.00 0.00 33.01 30.52 1rjk s GLN 403 CO 0.78 -1.13 2.17 -1.35 -0.25 0.00 0.00 175.29 175.51 1rjk h PRO 404 N 9.57 0.00 0.00 2.91 0.11 -1.88 -0.85 132.00 141.86 1rjk h PRO 404 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1rjk h PRO 404 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1rjk h PRO 404 CO 1.02 0.04 -0.36 1.05 -0.21 0.00 0.00 178.00 179.54 1rjk h GLU 405 N 0.00 0.00 0.19 1.05 9.09 -1.93 -1.41 114.58 121.57 1rjk h GLU 405 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 1rjk h GLU 405 Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 1rjk h GLU 405 CO 0.00 0.36 -1.62 -0.91 0.05 0.00 0.00 179.01 176.90 1rjk h ASN 406 N 0.00 0.61 0.42 3.06 2.35 -1.47 -3.33 115.58 117.22 1rjk h ASN 406 Ca -0.00 -0.92 -0.03 0.00 -0.55 0.00 0.00 56.30 54.79 1rjk h ASN 406 Cb 0.76 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1rjk h ASN 406 CO 0.05 1.74 -0.15 -1.28 -1.65 0.00 0.00 177.43 176.14 1rjk h SER 407 N 0.03 0.00 -0.67 5.81 0.87 -1.23 0.04 113.55 118.40 1rjk h SER 407 Ca -0.32 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.35 1rjk h SER 407 Cb 2.04 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.96 1rjk h SER 407 CO 0.17 0.15 0.45 0.24 -0.53 0.00 0.00 176.83 177.31 1rjk h MET 408 N 0.00 0.46 -0.00 2.24 2.86 -1.36 -2.66 114.93 116.46 1rjk h MET 408 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1rjk h MET 408 Cb 0.40 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1rjk h MET 408 CO 0.02 0.30 -0.10 1.63 1.06 0.00 0.00 176.91 179.82 1rjk n LYS 409 N -4.48 0.55 -1.32 1.72 4.76 -0.00 -4.89 118.16 114.50 1rjk n LYS 409 Ca 0.11 -0.16 -0.17 0.00 -2.87 0.00 0.00 58.31 55.23 1rjk n LYS 409 Cb 0.40 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.20 1rjk n LYS 409 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rjk n LEU 410 N -1.09 0.00 -4.69 -0.35 4.77 -1.00 -4.49 117.00 110.14 1rjk n LEU 410 Ca 0.13 -0.99 -0.23 0.00 -0.03 0.00 0.00 56.01 54.90 1rjk n LEU 410 Cb 0.28 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1rjk n LEU 410 CO 0.24 -1.00 -0.28 0.42 -1.33 0.00 0.00 177.39 175.44 1rjk s THR 411 N -2.51 3.54 0.24 -5.08 -4.23 -1.26 -5.03 115.64 101.31 1rjk s THR 411 Ca 0.44 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1rjk s THR 411 Cb -0.01 -2.96 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1rjk s THR 411 CO 0.31 -0.34 1.83 -0.65 -0.54 0.00 0.00 174.62 175.23 1rjk h PRO 412 N 1.76 0.85 -0.45 3.99 0.11 -1.98 -1.39 132.00 134.88 1rjk h PRO 412 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1rjk h PRO 412 Cb 1.25 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1rjk h PRO 412 CO 0.61 0.56 0.12 1.25 -0.21 0.00 0.00 178.00 180.33 1rjk h LEU 413 N 0.88 0.68 -1.03 2.35 5.85 -1.97 -1.21 115.31 120.86 1rjk h LEU 413 Ca 0.37 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1rjk h LEU 413 Cb 0.23 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1rjk h LEU 413 CO -0.19 0.73 0.60 0.58 -0.34 0.00 0.00 178.44 179.82 1rjk h VAL 414 N 0.60 1.25 -0.49 1.05 2.07 -1.88 0.05 116.25 118.90 1rjk h VAL 414 Ca 0.14 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1rjk h VAL 414 Cb 0.31 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1rjk h VAL 414 CO -0.00 0.25 -0.02 -0.07 0.02 0.00 0.00 177.57 177.75 1rjk h LEU 415 N 1.29 0.87 -0.14 2.57 3.38 -0.96 0.28 115.31 122.60 1rjk h LEU 415 Ca 0.34 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1rjk h LEU 415 Cb -0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1rjk h LEU 415 CO -0.07 0.98 -0.02 -0.08 0.09 0.00 0.00 178.44 179.34 1rjk h GLU 416 N 0.74 0.25 -0.11 1.13 4.81 -0.95 -0.00 114.58 120.44 1rjk h GLU 416 Ca 0.14 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1rjk h GLU 416 Cb 0.55 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1rjk h GLU 416 CO 0.03 0.52 -0.17 0.28 -0.73 0.00 0.00 179.01 178.94 1rjk h VAL 417 N -0.03 1.37 0.00 0.32 2.07 -0.94 -3.36 116.25 115.68 1rjk h VAL 417 Ca 0.04 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 1rjk h VAL 417 Cb 0.41 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1rjk h VAL 417 CO 0.01 0.40 -1.45 0.49 0.02 0.00 0.00 177.57 177.05 1rjk n PHE 418 N -4.56 0.71 0.00 1.57 0.99 0.08 -4.89 117.46 111.37 1rjk n PHE 418 Ca -0.07 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1rjk n PHE 418 Cb 0.38 -0.92 0.00 0.00 -1.00 0.00 0.00 39.48 37.94 1rjk n PHE 418 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rjk n GLY 419 N 1.31 4.13 3.66 1.37 0.00 -0.02 -4.96 105.19 110.68 1rjk n GLY 419 Ca -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1rjk n GLY 419 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02