#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk3 s LEU 124 N 0.00 4.28 1.07 0.00 1.43 -1.26 -5.04 118.68 119.16 1rk3 s LEU 124 Ca 0.00 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1rk3 s LEU 124 Cb 0.00 -3.55 0.22 0.00 0.03 0.00 0.00 46.19 42.89 1rk3 s LEU 124 CO 0.00 -0.68 1.08 -0.94 0.23 0.00 0.00 176.35 176.04 1rk3 s SER 125 N 1.78 2.00 0.22 2.29 1.04 -1.26 -4.81 113.70 114.98 1rk3 s SER 125 Ca 0.59 1.16 0.05 0.00 0.48 0.00 0.00 55.95 58.23 1rk3 s SER 125 Cb -0.27 -1.81 0.20 0.00 0.10 0.00 0.00 66.02 64.25 1rk3 s SER 125 CO 0.23 -3.51 1.52 -0.33 0.98 0.00 0.00 173.24 172.12 1rk3 h GLU 126 N -2.16 0.18 -0.28 4.02 4.39 -1.99 -1.74 114.58 117.00 1rk3 h GLU 126 Ca -0.55 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 58.99 1rk3 h GLU 126 Cb 1.33 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1rk3 h GLU 126 CO 0.54 0.79 0.12 1.49 -1.16 0.00 0.00 179.01 180.79 1rk3 h GLU 127 N 0.12 0.41 -0.67 2.33 4.81 -1.99 -1.41 114.58 118.18 1rk3 h GLU 127 Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1rk3 h GLU 127 Cb 1.21 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1rk3 h GLU 127 CO 0.10 0.42 0.39 1.96 -0.73 0.00 0.00 179.01 181.15 1rk3 h GLN 128 N 0.31 0.91 -0.48 1.92 4.20 -1.89 -1.20 115.11 118.89 1rk3 h GLN 128 Ca 0.09 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1rk3 h GLN 128 Cb 0.15 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1rk3 h GLN 128 CO -0.01 0.65 -0.09 1.96 -0.67 0.00 0.00 178.83 180.67 1rk3 h GLN 129 N 0.93 0.87 0.45 1.46 4.20 -1.13 -2.53 115.11 119.36 1rk3 h GLN 129 Ca 0.24 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1rk3 h GLN 129 Cb -0.02 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1rk3 h GLN 129 CO -0.04 0.93 -0.25 1.25 -0.67 0.00 0.00 178.83 180.04 1rk3 h HIS 130 N 0.79 -0.65 -0.56 2.96 2.76 -0.92 -1.73 115.15 117.80 1rk3 h HIS 130 Ca 0.13 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 1rk3 h HIS 130 Cb 0.60 0.23 -0.08 0.00 1.55 0.00 0.00 27.41 29.71 1rk3 h HIS 130 CO 0.03 -0.39 0.13 0.82 -1.30 0.00 0.00 177.93 177.22 1rk3 h ILE 131 N -0.66 0.69 -0.36 6.26 2.04 -1.14 -0.14 117.51 124.20 1rk3 h ILE 131 Ca -0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1rk3 h ILE 131 Cb 0.52 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1rk3 h ILE 131 CO 0.07 0.05 0.19 0.40 0.00 0.00 0.00 178.15 178.86 1rk3 h ILE 132 N 0.27 1.15 -0.31 -0.67 2.04 -1.45 -1.77 117.51 116.78 1rk3 h ILE 132 Ca 0.29 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1rk3 h ILE 132 Cb 0.40 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1rk3 h ILE 132 CO -0.36 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 177.89 1rk3 h ALA 133 N 1.04 0.21 -0.60 1.87 0.00 -0.31 -0.75 119.26 120.73 1rk3 h ALA 133 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1rk3 h ALA 133 Cb 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1rk3 h ALA 133 CO -0.02 -0.46 0.23 0.82 0.00 0.00 0.00 179.25 179.83 1rk3 h ILE 134 N 0.01 1.22 0.10 0.00 2.04 -0.92 -2.39 117.51 117.57 1rk3 h ILE 134 Ca 0.15 -0.68 -0.27 0.00 1.00 0.00 0.00 64.86 65.06 1rk3 h ILE 134 Cb 0.22 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1rk3 h ILE 134 CO -0.31 0.27 -1.18 -0.07 0.00 0.00 0.00 178.15 176.87 1rk3 h LEU 135 N 0.86 0.59 0.21 1.44 3.38 -0.89 -0.04 115.31 120.86 1rk3 h LEU 135 Ca 0.20 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1rk3 h LEU 135 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1rk3 h LEU 135 CO -0.02 1.40 -0.26 -0.07 0.09 0.00 0.00 178.44 179.59 1rk3 h LEU 136 N 0.17 -0.71 -0.42 1.67 3.38 -1.12 -0.66 115.31 117.62 1rk3 h LEU 136 Ca -0.14 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1rk3 h LEU 136 Cb 1.86 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.83 1rk3 h LEU 136 CO 0.21 -0.36 0.24 -0.78 0.09 0.00 0.00 178.44 177.83 1rk3 h ASP 137 N -0.52 0.37 -1.01 -0.43 1.82 -1.42 0.13 116.42 115.36 1rk3 h ASP 137 Ca 0.01 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1rk3 h ASP 137 Cb 0.50 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.39 1rk3 h ASP 137 CO -0.09 0.26 0.66 0.00 -1.61 0.00 0.00 179.24 178.47 1rk3 h ALA 138 N 1.20 1.33 -0.41 -0.78 0.00 -0.87 -0.44 119.26 119.29 1rk3 h ALA 138 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1rk3 h ALA 138 Cb 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1rk3 h ALA 138 CO -0.10 0.58 -0.06 1.25 0.00 0.00 0.00 179.25 180.92 1rk3 h HIS 139 N 1.29 0.86 0.00 0.00 -0.00 -0.76 -2.68 115.15 113.86 1rk3 h HIS 139 Ca 0.40 -0.17 -0.05 0.00 -0.00 0.00 0.00 60.37 60.55 1rk3 h HIS 139 Cb -0.03 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1rk3 h HIS 139 CO -0.00 0.88 -0.22 0.45 -0.00 0.00 0.00 177.93 179.04 1rk3 h HIS 140 N 0.59 0.00 0.00 5.26 3.86 -0.24 -0.87 115.15 123.75 1rk3 h HIS 140 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1rk3 h HIS 140 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1rk3 h HIS 140 CO 0.05 0.22 -0.17 1.63 0.86 0.00 0.00 177.93 180.51 1rk3 n LYS 141 N -4.21 0.27 0.00 2.45 5.02 -0.24 -4.02 118.16 117.43 1rk3 n LYS 141 Ca -0.02 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1rk3 n LYS 141 Cb 0.28 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1rk3 n LYS 141 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rk3 n THR 142 N -2.22 0.03 -3.75 -0.18 -2.24 -0.83 -4.96 114.28 100.13 1rk3 n THR 142 Ca 0.05 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 1rk3 n THR 142 Cb 0.43 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1rk3 n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rk3 s TYR 143 N -0.03 1.51 -0.53 4.78 6.14 -0.39 -4.84 117.35 123.98 1rk3 s TYR 143 Ca 0.00 -1.42 -0.20 0.00 0.64 0.00 0.00 57.07 56.08 1rk3 s TYR 143 Cb 0.00 -1.45 0.06 0.00 0.42 0.00 0.00 41.96 40.99 1rk3 s TYR 143 CO 0.00 -0.78 0.72 0.34 0.64 0.00 0.00 175.55 176.47 1rk3 s ASP 144 N 1.69 6.24 0.00 4.32 2.15 -1.26 -4.75 116.67 125.05 1rk3 s ASP 144 Ca 0.05 -0.86 0.12 0.00 0.43 0.00 0.00 52.55 52.29 1rk3 s ASP 144 Cb -0.17 -2.33 0.64 0.00 -0.30 0.00 0.00 42.92 40.76 1rk3 s ASP 144 CO -0.18 -1.02 1.29 -0.81 -0.17 0.00 0.00 175.17 174.29 1rk3 n PRO 145 N 6.54 0.20 0.02 4.34 -0.04 -1.26 -1.15 135.00 143.65 1rk3 n PRO 145 Ca -0.05 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1rk3 n PRO 145 Cb 0.45 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.58 1rk3 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rk3 n THR 146 N -1.25 0.13 -3.21 0.52 -2.24 -1.26 -4.98 114.28 101.99 1rk3 n THR 146 Ca 0.06 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 1rk3 n THR 146 Cb 0.09 0.17 0.05 0.00 -2.10 0.00 0.00 70.33 68.54 1rk3 n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rk3 n TYR 147 N -1.77 -2.27 0.08 4.78 4.02 -0.30 -4.88 117.16 116.82 1rk3 n TYR 147 Ca 0.04 0.68 -0.02 0.00 -0.01 0.00 0.00 57.90 58.59 1rk3 n TYR 147 Cb 0.39 -4.68 0.24 0.00 -0.02 0.00 0.00 39.34 35.27 1rk3 n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rk3 h ALA 148 N 1.01 1.16 0.00 -0.72 0.00 -1.95 -2.72 119.26 116.04 1rk3 h ALA 148 Ca -0.55 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1rk3 h ALA 148 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1rk3 h ALA 148 CO 0.57 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 180.12 1rk3 n ASP 149 N -4.08 0.00 0.29 0.00 8.00 -1.26 -3.49 116.55 116.01 1rk3 n ASP 149 Ca -0.01 0.07 0.17 0.00 0.71 0.00 0.00 54.79 55.73 1rk3 n ASP 149 Cb 0.44 -0.32 0.87 0.00 -0.02 0.00 0.00 41.12 42.09 1rk3 n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1rk3 h PHE 150 N 0.00 0.00 -0.16 1.24 -1.00 -1.87 -1.10 116.94 114.05 1rk3 h PHE 150 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1rk3 h PHE 150 Cb 0.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1rk3 h PHE 150 CO 0.00 0.05 -0.00 0.00 -1.61 0.00 0.00 178.31 176.75 1rk3 h ARG 151 N 0.00 0.22 0.00 1.51 -0.00 -1.80 -2.40 114.38 111.91 1rk3 h ARG 151 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1rk3 h ARG 151 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.20 1rk3 h ARG 151 CO 0.01 0.25 0.00 -0.25 0.00 0.00 0.00 179.97 179.98 1rk3 n ASP 152 N -4.40 0.00 -4.82 7.04 8.00 -0.41 -4.83 116.55 117.12 1rk3 n ASP 152 Ca -0.01 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 1rk3 n ASP 152 Cb 0.17 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1rk3 n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rk3 s PHE 153 N -2.88 3.17 0.24 1.24 2.99 -0.91 -4.99 117.98 116.84 1rk3 s PHE 153 Ca 0.14 1.52 -0.31 0.00 0.00 0.00 0.00 56.93 58.28 1rk3 s PHE 153 Cb 0.15 -2.93 -0.14 0.00 0.00 0.00 0.00 43.02 40.10 1rk3 s PHE 153 CO 0.39 -0.72 1.21 0.54 -0.00 0.00 0.00 175.22 176.64 1rk3 n ARG 154 N -1.56 1.58 -2.09 0.44 1.74 -1.26 -4.89 116.66 110.62 1rk3 n ARG 154 Ca 0.08 0.56 -0.38 0.00 -0.77 0.00 0.00 57.85 57.34 1rk3 n ARG 154 Cb 0.53 -2.08 0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1rk3 n ARG 154 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1rk3 s PRO 155 N -0.86 3.61 0.31 5.56 0.04 -1.26 -3.83 135.00 138.57 1rk3 s PRO 155 Ca 0.66 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.37 1rk3 s PRO 155 Cb -0.72 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1rk3 s PRO 155 CO 0.55 -0.73 1.38 -1.25 0.04 0.00 0.00 177.00 176.99 1rk3 s PRO 156 N -2.69 4.29 -0.15 0.56 0.04 -1.26 -4.41 135.00 131.38 1rk3 s PRO 156 Ca 0.65 2.30 0.01 0.00 0.04 0.00 0.00 61.00 64.00 1rk3 s PRO 156 Cb -0.33 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.15 1rk3 s PRO 156 CO 0.40 -0.33 -0.18 0.08 0.04 0.00 0.00 177.00 177.02 1rk3 s VAL 157 N -0.70 1.82 -0.40 -0.36 1.01 -1.24 -5.07 120.40 115.46 1rk3 s VAL 157 Ca 0.53 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1rk3 s VAL 157 Cb -0.42 -1.65 0.11 0.00 0.00 0.00 0.00 36.38 34.43 1rk3 s VAL 157 CO 0.51 0.50 0.14 -0.13 0.00 0.00 0.00 175.10 176.12 1rk3 s ARG 158 N 1.19 1.49 0.00 2.72 0.52 -1.26 -3.59 118.95 120.02 1rk3 s ARG 158 Ca 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 1rk3 s ARG 158 Cb -0.14 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1rk3 s ARG 158 CO -0.08 -1.02 0.00 0.00 0.02 0.00 0.00 175.30 174.22 1rk3 n MET 159 N 3.91 0.00 0.00 3.54 0.00 -1.26 -5.18 117.12 118.13 1rk3 n MET 159 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1rk3 n MET 159 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 33.22 33.36 1rk3 n MET 159 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1rk3 n PRO 219 N 0.00 0.00 -2.94 3.17 -0.04 -1.26 -5.25 135.00 128.68 1rk3 n PRO 219 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1rk3 n PRO 219 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1rk3 n PRO 219 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rk3 n LEU 220 N 0.00 -3.51 0.22 1.53 4.77 -1.26 -4.96 117.00 113.80 1rk3 n LEU 220 Ca 0.00 -0.43 0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1rk3 n LEU 220 Cb 0.00 -2.29 0.41 0.00 -2.33 0.00 0.00 43.42 39.21 1rk3 n LEU 220 CO 0.00 0.24 0.81 0.77 -1.33 0.00 0.00 177.39 177.87 1rk3 h SER 221 N -1.23 0.00 0.20 -1.43 4.64 -1.74 -2.57 113.55 111.42 1rk3 h SER 221 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1rk3 h SER 221 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1rk3 h SER 221 CO 0.33 0.17 -0.27 0.23 -0.87 0.00 0.00 176.83 176.42 1rk3 n MET 222 N -3.25 0.92 -0.01 4.77 2.81 -0.16 -3.62 117.12 118.58 1rk3 n MET 222 Ca 0.01 -0.58 -0.09 0.00 -1.81 0.00 0.00 57.70 55.23 1rk3 n MET 222 Cb 0.45 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1rk3 n MET 222 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rk3 h LEU 223 N 1.40 -0.25 -0.17 4.03 5.85 -1.24 -2.00 115.31 122.93 1rk3 h LEU 223 Ca 0.00 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1rk3 h LEU 223 Cb 0.54 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1rk3 h LEU 223 CO 0.00 -0.11 -0.21 -0.65 -0.34 0.00 0.00 178.44 177.13 1rk3 h PRO 224 N -0.08 -0.23 -0.01 5.25 0.11 -1.79 0.36 132.00 135.61 1rk3 h PRO 224 Ca 0.08 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1rk3 h PRO 224 Cb 0.19 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1rk3 h PRO 224 CO -0.18 -0.16 -0.14 1.25 -0.21 0.00 0.00 178.00 178.57 1rk3 h HIS 225 N -0.24 -0.36 0.00 0.65 -0.00 -1.65 -2.53 115.15 111.01 1rk3 h HIS 225 Ca 0.11 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.38 1rk3 h HIS 225 Cb 0.41 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 1rk3 h HIS 225 CO -0.34 -0.21 -0.54 -0.07 -0.00 0.00 0.00 177.93 176.77 1rk3 h LEU 226 N -0.23 0.00 -0.89 0.26 3.38 -1.33 -1.08 115.31 115.43 1rk3 h LEU 226 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1rk3 h LEU 226 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1rk3 h LEU 226 CO -0.14 0.54 -0.13 0.00 0.09 0.00 0.00 178.44 178.80 1rk3 h ALA 227 N 1.46 1.06 -0.13 1.53 0.00 -0.86 -0.16 119.26 122.17 1rk3 h ALA 227 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1rk3 h ALA 227 Cb 1.01 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rk3 h ALA 227 CO 0.07 0.57 -0.79 -0.44 0.00 0.00 0.00 179.25 178.66 1rk3 h ASP 228 N 0.61 0.87 -0.37 0.00 3.45 -1.21 0.11 116.42 119.88 1rk3 h ASP 228 Ca 0.10 -0.58 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 1rk3 h ASP 228 Cb 0.58 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1rk3 h ASP 228 CO 0.04 1.38 0.15 0.25 -1.57 0.00 0.00 179.24 179.48 1rk3 h LEU 229 N 0.49 0.51 -0.57 1.55 5.85 -1.02 -0.63 115.31 121.50 1rk3 h LEU 229 Ca -0.06 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1rk3 h LEU 229 Cb 1.42 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1rk3 h LEU 229 CO 0.16 0.54 0.02 0.58 -0.34 0.00 0.00 178.44 179.40 1rk3 h VAL 230 N 0.45 1.26 -0.50 1.05 2.07 -0.96 -1.07 116.25 118.56 1rk3 h VAL 230 Ca 0.12 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1rk3 h VAL 230 Cb 0.19 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rk3 h VAL 230 CO -0.01 0.40 0.24 -1.28 0.02 0.00 0.00 177.57 176.94 1rk3 h SER 231 N 0.87 0.65 -0.53 0.57 0.87 -0.47 0.60 113.55 116.12 1rk3 h SER 231 Ca 0.16 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1rk3 h SER 231 Cb 0.52 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1rk3 h SER 231 CO 0.03 0.60 0.35 0.22 -0.53 0.00 0.00 176.83 177.49 1rk3 h TYR 232 N 0.66 0.67 -0.29 2.24 3.20 -1.05 -2.74 116.97 119.66 1rk3 h TYR 232 Ca 0.17 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1rk3 h TYR 232 Cb 0.12 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1rk3 h TYR 232 CO -0.01 0.42 -0.22 0.77 -1.64 0.00 0.00 178.16 177.49 1rk3 h SER 233 N 0.72 0.54 -0.55 -2.11 0.02 -0.50 -2.07 113.55 109.59 1rk3 h SER 233 Ca 0.19 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1rk3 h SER 233 Cb -0.08 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1rk3 h SER 233 CO -0.04 0.76 0.27 0.40 -1.14 0.00 0.00 176.83 177.07 1rk3 h ILE 234 N 0.48 0.92 -0.91 3.27 2.04 -0.62 -0.34 117.51 122.35 1rk3 h ILE 234 Ca 0.07 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1rk3 h ILE 234 Cb 0.64 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1rk3 h ILE 234 CO 0.05 0.09 0.52 1.56 0.00 0.00 0.00 178.15 180.37 1rk3 h GLN 235 N 0.50 1.25 -0.29 2.37 4.20 -1.15 -0.76 115.11 121.23 1rk3 h GLN 235 Ca 0.25 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 1rk3 h GLN 235 Cb 0.19 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1rk3 h GLN 235 CO -0.19 0.90 -0.40 0.87 -0.67 0.00 0.00 178.83 179.33 1rk3 h LYS 236 N 1.26 0.71 -0.71 1.46 1.79 -0.99 -2.20 116.57 117.88 1rk3 h LYS 236 Ca 0.32 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1rk3 h LYS 236 Cb -0.01 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1rk3 h LYS 236 CO -0.06 0.98 0.18 0.28 -1.08 0.00 0.00 179.45 179.75 1rk3 h VAL 237 N 0.58 1.26 -0.55 0.50 2.07 -0.59 -0.57 116.25 118.96 1rk3 h VAL 237 Ca 0.05 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1rk3 h VAL 237 Cb 0.94 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1rk3 h VAL 237 CO 0.09 0.37 0.11 0.40 0.02 0.00 0.00 177.57 178.56 1rk3 h ILE 238 N 1.07 1.23 -0.36 4.57 2.04 -1.02 0.20 117.51 125.26 1rk3 h ILE 238 Ca 0.22 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 1rk3 h ILE 238 Cb 0.37 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1rk3 h ILE 238 CO 0.00 0.32 -0.03 1.23 0.00 0.00 0.00 178.15 179.68 1rk3 h GLY 239 N 0.98 0.70 0.95 5.37 0.00 -0.92 -1.93 103.07 108.23 1rk3 h GLY 239 Ca 0.17 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1rk3 h GLY 239 CO 0.00 0.49 0.03 -2.75 0.00 0.00 0.00 176.54 174.32 1rk3 h PHE 240 N 0.45 0.07 -0.74 5.60 3.57 -0.86 -3.14 116.94 121.89 1rk3 h PHE 240 Ca 0.10 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.70 1rk3 h PHE 240 Cb 0.50 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1rk3 h PHE 240 CO 0.04 0.10 0.37 0.00 -2.23 0.00 0.00 178.31 176.59 1rk3 h ALA 241 N 0.97 1.05 -0.72 2.41 0.00 -0.43 -2.45 119.26 120.09 1rk3 h ALA 241 Ca 0.02 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1rk3 h ALA 241 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1rk3 h ALA 241 CO -0.00 -0.06 0.48 0.87 0.00 0.00 0.00 179.25 180.54 1rk3 h LYS 242 N 0.61 0.41 -0.10 0.00 1.57 -1.30 -1.59 116.57 116.16 1rk3 h LYS 242 Ca 0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1rk3 h LYS 242 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rk3 h LYS 242 CO -0.29 0.27 0.00 -1.33 -0.57 0.00 0.00 179.45 177.53 1rk3 n MET 243 N -4.47 1.64 -2.30 3.15 2.81 -0.93 -4.62 117.12 112.40 1rk3 n MET 243 Ca 0.13 -0.95 -0.43 0.00 -1.81 0.00 0.00 57.70 54.65 1rk3 n MET 243 Cb 0.49 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 1rk3 n MET 243 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1rk3 s ILE 244 N -1.88 4.06 -0.16 2.02 1.01 -0.60 -4.86 121.20 120.80 1rk3 s ILE 244 Ca 0.34 1.28 -0.39 0.00 0.00 0.00 0.00 60.65 61.89 1rk3 s ILE 244 Cb 0.18 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.65 1rk3 s ILE 244 CO 0.29 -0.13 1.62 -2.65 0.00 0.00 0.00 174.94 174.07 1rk3 n PRO 245 N 6.81 1.18 0.00 2.79 -0.02 -1.26 -0.12 135.00 144.38 1rk3 n PRO 245 Ca 0.15 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1rk3 n PRO 245 Cb 0.44 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1rk3 n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rk3 n GLY 246 N 3.67 3.29 0.35 -1.23 0.00 -1.26 -4.92 105.19 105.09 1rk3 n GLY 246 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 1rk3 n GLY 246 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rk3 h PHE 247 N 0.00 0.91 0.00 1.61 3.57 -0.84 -1.57 116.94 120.62 1rk3 h PHE 247 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1rk3 h PHE 247 Cb 0.00 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1rk3 h PHE 247 CO 0.00 0.52 0.00 0.54 -2.23 0.00 0.00 178.31 177.14 1rk3 n ARG 248 N -4.45 0.47 0.00 1.11 3.00 -1.26 -2.47 116.66 113.05 1rk3 n ARG 248 Ca 0.10 0.05 0.12 0.00 -0.01 0.00 0.00 57.85 58.10 1rk3 n ARG 248 Cb 0.13 -1.50 0.19 0.00 0.00 0.00 0.00 32.46 31.28 1rk3 n ARG 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1rk3 n ASP 249 N -1.19 0.66 -4.83 0.55 8.00 -0.59 -4.90 116.55 114.25 1rk3 n ASP 249 Ca 0.13 -0.46 -0.32 0.00 0.71 0.00 0.00 54.79 54.85 1rk3 n ASP 249 Cb 0.15 0.37 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1rk3 n ASP 249 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rk3 s LEU 250 N -2.95 3.42 0.80 0.64 1.43 -1.03 -5.05 118.68 115.94 1rk3 s LEU 250 Ca 0.12 1.65 -0.10 0.00 -1.03 0.00 0.00 54.13 54.76 1rk3 s LEU 250 Cb 0.17 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.96 1rk3 s LEU 250 CO 0.71 -1.02 1.10 0.42 0.23 0.00 0.00 176.35 177.79 1rk3 s THR 251 N -2.72 3.09 0.30 5.49 -4.23 -1.26 -4.83 115.64 111.48 1rk3 s THR 251 Ca 0.60 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1rk3 s THR 251 Cb -0.13 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.07 1rk3 s THR 251 CO 0.41 -0.46 1.80 0.77 -0.54 0.00 0.00 174.62 176.60 1rk3 h SER 252 N -1.27 0.55 -0.49 3.99 4.64 -1.97 -0.56 113.55 118.44 1rk3 h SER 252 Ca -0.44 -0.13 0.07 0.00 -0.47 0.00 0.00 61.79 60.82 1rk3 h SER 252 Cb 1.24 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 1rk3 h SER 252 CO 0.50 0.67 0.16 0.44 -0.87 0.00 0.00 176.83 177.73 1rk3 h ASP 253 N 0.53 0.15 0.07 4.97 5.19 -2.00 -1.39 116.42 123.93 1rk3 h ASP 253 Ca 0.10 0.06 -0.23 0.00 -0.62 0.00 0.00 57.03 56.35 1rk3 h ASP 253 Cb 0.47 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1rk3 h ASP 253 CO 0.03 0.11 -0.86 0.44 -3.12 0.00 0.00 179.24 175.84 1rk3 h ASP 254 N 0.33 0.76 -0.81 6.45 3.45 -1.85 -1.80 116.42 122.94 1rk3 h ASP 254 Ca 0.24 -0.54 0.16 0.00 0.43 0.00 0.00 57.03 57.32 1rk3 h ASP 254 Cb 0.26 -0.23 -0.10 0.00 -0.56 0.00 0.00 39.33 38.70 1rk3 h ASP 254 CO -0.25 1.33 0.34 1.56 -1.57 0.00 0.00 179.24 180.64 1rk3 h GLN 255 N 0.39 0.44 0.29 3.56 4.20 -0.95 -1.51 115.11 121.54 1rk3 h GLN 255 Ca -0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1rk3 h GLN 255 Cb 1.48 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1rk3 h GLN 255 CO 0.16 0.29 -0.14 0.82 -0.67 0.00 0.00 178.83 179.29 1rk3 h ILE 256 N 0.46 0.72 -0.82 2.54 2.04 -1.01 -2.03 117.51 119.41 1rk3 h ILE 256 Ca 0.46 -0.60 0.18 0.00 1.00 0.00 0.00 64.86 65.90 1rk3 h ILE 256 Cb 0.74 1.02 -0.11 0.00 -0.74 0.00 0.00 36.82 37.73 1rk3 h ILE 256 CO -0.44 0.12 0.31 0.58 0.00 0.00 0.00 178.15 178.72 1rk3 h VAL 257 N -0.74 0.54 -0.27 1.67 2.07 -1.21 -0.67 116.25 117.64 1rk3 h VAL 257 Ca -0.04 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1rk3 h VAL 257 Cb 0.49 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1rk3 h VAL 257 CO 0.07 0.07 -0.40 -0.07 0.02 0.00 0.00 177.57 177.26 1rk3 h LEU 258 N 0.38 0.83 -0.33 2.57 3.38 -1.17 -2.17 115.31 118.80 1rk3 h LEU 258 Ca 0.48 -0.51 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1rk3 h LEU 258 Cb 0.84 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rk3 h LEU 258 CO -0.49 1.17 -0.69 -0.07 0.09 0.00 0.00 178.44 178.46 1rk3 h LEU 259 N 0.50 0.73 -0.92 1.67 3.38 -1.17 -2.40 115.31 117.10 1rk3 h LEU 259 Ca 0.03 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1rk3 h LEU 259 Cb 0.99 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1rk3 h LEU 259 CO 0.09 1.21 -0.04 0.50 0.09 0.00 0.00 178.44 180.29 1rk3 h LYS 260 N 0.45 0.74 0.00 1.13 3.64 -1.03 -1.43 116.57 120.07 1rk3 h LYS 260 Ca -0.03 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1rk3 h LYS 260 Cb 1.28 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1rk3 h LYS 260 CO 0.13 0.78 -1.05 0.66 -2.27 0.00 0.00 179.45 177.71 1rk3 h SER 261 N 0.69 0.00 0.03 4.20 4.64 -1.38 -3.37 113.55 118.36 1rk3 h SER 261 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1rk3 h SER 261 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1rk3 h SER 261 CO 0.02 0.41 -1.54 -1.54 -0.87 0.00 0.00 176.83 173.31 1rk3 n SER 262 N -2.93 0.43 -0.10 4.97 3.41 -0.91 -4.62 113.62 113.88 1rk3 n SER 262 Ca -0.04 -0.40 -0.06 0.00 -0.26 0.00 0.00 58.87 58.11 1rk3 n SER 262 Cb 0.74 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.22 1rk3 n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rk3 h ALA 263 N 2.42 0.24 -0.69 7.33 0.00 -1.43 0.10 119.26 127.24 1rk3 h ALA 263 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1rk3 h ALA 263 Cb 0.79 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1rk3 h ALA 263 CO 0.00 -0.45 0.43 0.97 0.00 0.00 0.00 179.25 180.20 1rk3 h ILE 264 N 0.02 1.10 -0.11 0.00 6.09 -1.86 -1.03 117.51 121.71 1rk3 h ILE 264 Ca 0.17 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1rk3 h ILE 264 Cb 0.25 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1rk3 h ILE 264 CO -0.34 0.16 0.06 -0.33 -3.07 0.00 0.00 178.15 174.62 1rk3 h GLU 265 N 0.85 0.15 -0.11 2.19 5.08 -1.46 -0.79 114.58 120.50 1rk3 h GLU 265 Ca 0.28 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1rk3 h GLU 265 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1rk3 h GLU 265 CO -0.11 0.17 -0.20 0.28 -1.00 0.00 0.00 179.01 178.16 1rk3 h VAL 266 N 0.09 1.20 -0.47 3.13 2.07 -0.69 -0.06 116.25 121.52 1rk3 h VAL 266 Ca 0.04 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1rk3 h VAL 266 Cb 0.06 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1rk3 h VAL 266 CO -0.01 0.28 0.08 0.40 0.02 0.00 0.00 177.57 178.34 1rk3 h ILE 267 N 0.17 1.25 -0.42 4.57 2.04 -0.92 0.12 117.51 124.31 1rk3 h ILE 267 Ca 0.03 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1rk3 h ILE 267 Cb 0.46 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1rk3 h ILE 267 CO 0.03 0.32 0.23 0.24 0.00 0.00 0.00 178.15 178.97 1rk3 h MET 268 N 0.65 0.60 0.49 2.37 2.86 -0.65 -1.48 114.93 119.77 1rk3 h MET 268 Ca 0.14 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1rk3 h MET 268 Cb 0.38 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1rk3 h MET 268 CO 0.01 0.49 -0.24 -0.07 1.06 0.00 0.00 176.91 178.16 1rk3 h LEU 269 N 0.55 -0.56 -2.00 1.22 3.38 -0.86 -3.08 115.31 113.96 1rk3 h LEU 269 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1rk3 h LEU 269 Cb 0.07 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rk3 h LEU 269 CO -0.02 -0.38 -0.10 0.08 0.09 0.00 0.00 178.44 178.11 1rk3 h ARG 270 N -0.69 0.00 0.00 1.13 0.11 -0.77 -1.81 114.38 112.34 1rk3 h ARG 270 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1rk3 h ARG 270 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1rk3 h ARG 270 CO 0.11 0.10 0.00 0.66 0.10 0.00 0.00 179.97 180.94 1rk3 h SER 271 N 0.00 0.00 -0.34 0.08 4.64 -1.17 -2.80 113.55 113.96 1rk3 h SER 271 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1rk3 h SER 271 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1rk3 h SER 271 CO 0.01 0.00 0.32 -1.13 -0.87 0.00 0.00 176.83 175.16 1rk3 h ASN 272 N 0.00 0.00 0.05 4.97 -0.00 -1.33 -1.60 115.58 117.68 1rk3 h ASN 272 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 1rk3 h ASN 272 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.84 1rk3 h ASN 272 CO 0.00 0.00 -0.16 -0.61 -0.00 0.00 0.00 177.43 176.66 1rk3 h GLN 273 N 0.00 0.23 0.00 6.67 4.15 -1.70 -2.77 115.11 121.70 1rk3 h GLN 273 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1rk3 h GLN 273 Cb 0.80 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1rk3 h GLN 273 CO -0.00 0.40 -1.40 -1.13 -1.93 0.00 0.00 178.83 174.77 1rk3 n SER 274 N -4.25 0.47 -4.77 -0.69 3.41 -0.66 -4.97 113.62 102.16 1rk3 n SER 274 Ca -0.01 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 1rk3 n SER 274 Cb 0.29 1.14 0.01 0.00 -0.26 0.00 0.00 64.21 65.39 1rk3 n SER 274 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1rk3 s PHE 275 N -3.38 2.51 -0.04 7.33 5.36 -0.83 -1.09 117.98 127.85 1rk3 s PHE 275 Ca -0.02 1.22 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 1rk3 s PHE 275 Cb 0.12 -3.97 0.02 0.00 -0.34 0.00 0.00 43.02 38.86 1rk3 s PHE 275 CO 0.84 -2.97 -0.02 -0.08 -1.46 0.00 0.00 175.22 171.53 1rk3 s THR 276 N -1.17 0.36 -0.76 0.12 -1.32 0.33 -4.88 115.64 108.32 1rk3 s THR 276 Ca 0.58 -0.03 0.23 0.00 -1.21 0.00 0.00 61.69 61.26 1rk3 s THR 276 Cb -0.45 -0.42 0.23 0.00 -1.51 0.00 0.00 72.50 70.35 1rk3 s THR 276 CO 0.59 0.18 1.71 0.23 -2.21 0.00 0.00 174.62 175.13 1rk3 n MET 277 N 4.07 0.13 0.05 7.08 2.81 -1.26 -1.57 117.12 128.43 1rk3 n MET 277 Ca -0.26 0.25 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 1rk3 n MET 277 Cb 0.51 -1.70 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 1rk3 n MET 277 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1rk3 h ASP 278 N 0.00 -1.32 0.00 7.83 5.19 -1.95 -3.30 116.42 122.87 1rk3 h ASP 278 Ca 0.00 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1rk3 h ASP 278 Cb 0.46 0.52 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1rk3 h ASP 278 CO 0.00 -0.46 -0.13 -0.90 -3.12 0.00 0.00 179.24 174.63 1rk3 n ASP 279 N -5.45 1.92 -3.70 6.45 5.68 -1.23 -5.02 116.55 115.20 1rk3 n ASP 279 Ca -0.06 -2.96 -0.24 0.00 -0.50 0.00 0.00 54.79 51.03 1rk3 n ASP 279 Cb 0.37 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1rk3 n ASP 279 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1rk3 n MET 280 N -1.17 -3.63 -4.21 0.11 2.81 -0.61 -4.99 117.12 105.44 1rk3 n MET 280 Ca 0.14 0.57 -0.12 0.00 -1.81 0.00 0.00 57.70 56.47 1rk3 n MET 280 Cb 0.66 -4.89 -0.10 0.00 -0.71 0.00 0.00 33.22 28.18 1rk3 n MET 280 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rk3 s SER 281 N -4.10 0.90 -0.41 7.83 1.04 -1.09 -4.56 113.70 113.32 1rk3 s SER 281 Ca 0.14 -1.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.24 1rk3 s SER 281 Cb -0.04 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1rk3 s SER 281 CO 0.83 -0.62 0.35 0.26 0.98 0.00 0.00 173.24 175.04 1rk3 s TRP 282 N -3.79 3.21 -0.47 5.02 0.51 0.09 -0.51 118.94 123.00 1rk3 s TRP 282 Ca 0.23 -0.47 -0.15 0.00 -2.12 0.00 0.00 56.10 53.59 1rk3 s TRP 282 Cb 0.07 -2.69 0.08 0.00 -0.81 0.00 0.00 33.47 30.11 1rk3 s TRP 282 CO 0.03 -0.61 0.39 0.34 -0.51 0.00 0.00 176.95 176.59 1rk3 s ASP 283 N 1.73 6.09 -0.65 2.95 2.15 -0.25 -0.76 116.67 127.93 1rk3 s ASP 283 Ca 0.08 -1.41 -0.01 0.00 0.43 0.00 0.00 52.55 51.64 1rk3 s ASP 283 Cb -0.18 -2.16 0.44 0.00 -0.30 0.00 0.00 42.92 40.71 1rk3 s ASP 283 CO 0.11 -0.66 1.92 0.00 -0.17 0.00 0.00 175.17 176.37 1rk3 n GLY 285 N -0.83 1.09 3.46 0.00 0.00 -1.26 -4.81 105.19 102.85 1rk3 n GLY 285 Ca 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 1rk3 n GLY 285 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rk3 s SER 286 N -1.96 -0.53 0.37 1.61 1.04 -1.26 -5.05 113.70 107.92 1rk3 s SER 286 Ca 0.00 0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.66 1rk3 s SER 286 Cb 0.00 0.53 0.80 0.00 0.10 0.00 0.00 66.02 67.45 1rk3 s SER 286 CO 0.00 -0.80 1.95 -0.61 0.98 0.00 0.00 173.24 174.76 1rk3 h GLN 287 N 2.21 0.67 -0.89 4.02 5.75 -1.95 -0.69 115.11 124.23 1rk3 h GLN 287 Ca -0.29 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1rk3 h GLN 287 Cb 1.26 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 1rk3 h GLN 287 CO 0.36 0.44 0.56 -0.44 -2.65 0.00 0.00 178.83 177.11 1rk3 h ASP 288 N 0.69 0.89 -1.77 -0.69 3.45 -1.98 -3.18 116.42 113.84 1rk3 h ASP 288 Ca 0.33 0.01 -0.68 0.00 0.43 0.00 0.00 57.03 57.12 1rk3 h ASP 288 Cb 0.37 -0.18 -0.35 0.00 -0.56 0.00 0.00 39.33 38.62 1rk3 h ASP 288 CO -0.11 0.57 0.14 -1.22 -1.57 0.00 0.00 179.24 177.05 1rk3 n TYR 289 N -4.59 3.22 -3.87 4.55 0.53 -0.29 -4.86 117.16 111.86 1rk3 n TYR 289 Ca 0.13 -2.75 -0.27 0.00 -1.02 0.00 0.00 57.90 53.98 1rk3 n TYR 289 Cb 0.17 -0.62 -0.17 0.00 -1.03 0.00 0.00 39.34 37.69 1rk3 n TYR 289 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1rk3 s LYS 290 N -3.80 1.31 -0.17 -0.72 2.20 -1.08 -0.33 119.74 117.15 1rk3 s LYS 290 Ca 0.50 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1rk3 s LYS 290 Cb 0.41 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.86 1rk3 s LYS 290 CO -0.30 -0.41 -0.08 0.71 -0.36 0.00 0.00 175.35 174.91 1rk3 s TYR 291 N 1.69 2.91 0.46 4.03 1.51 0.06 -4.93 117.35 123.09 1rk3 s TYR 291 Ca 0.02 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1rk3 s TYR 291 Cb -0.15 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1rk3 s TYR 291 CO -0.08 -0.27 0.08 -0.40 -1.11 0.00 0.00 175.55 173.77 1rk3 n ASP 292 N 3.93 3.10 -0.34 2.29 3.85 -1.26 -0.73 116.55 127.39 1rk3 n ASP 292 Ca -0.18 -2.91 0.14 0.00 -0.71 0.00 0.00 54.79 51.13 1rk3 n ASP 292 Cb 0.52 0.24 0.35 0.00 -1.35 0.00 0.00 41.12 40.88 1rk3 n ASP 292 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1rk3 h VAL 293 N 1.11 0.68 -0.05 2.12 2.07 -1.95 -1.64 116.25 118.60 1rk3 h VAL 293 Ca -0.36 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 66.73 1rk3 h VAL 293 Cb 1.13 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1rk3 h VAL 293 CO 0.59 0.13 -0.76 0.71 0.02 0.00 0.00 177.57 178.26 1rk3 h THR 294 N 0.70 1.41 -0.75 2.57 1.35 -1.99 -2.38 112.91 113.83 1rk3 h THR 294 Ca 0.57 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.16 1rk3 h THR 294 Cb 0.98 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 69.57 1rk3 h THR 294 CO -0.36 0.67 0.40 0.44 -0.25 0.00 0.00 175.52 176.41 1rk3 h ASP 295 N 0.21 0.95 -0.32 5.36 3.32 -1.70 -1.29 116.42 122.95 1rk3 h ASP 295 Ca -0.03 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1rk3 h ASP 295 Cb 1.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1rk3 h ASP 295 CO 0.12 0.79 -0.11 0.58 -1.72 0.00 0.00 179.24 178.90 1rk3 h VAL 296 N 1.05 1.26 0.00 -1.35 2.07 -1.22 -2.29 116.25 115.76 1rk3 h VAL 296 Ca 0.26 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1rk3 h VAL 296 Cb 0.06 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1rk3 h VAL 296 CO -0.04 0.39 -0.47 0.77 0.02 0.00 0.00 177.57 178.24 1rk3 h SER 297 N 0.68 0.00 0.00 0.57 4.64 -1.31 -1.22 113.55 116.91 1rk3 h SER 297 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rk3 h SER 297 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1rk3 h SER 297 CO 0.04 0.47 0.00 0.29 -0.87 0.00 0.00 176.83 176.76 1rk3 n LYS 298 N -3.65 0.58 -0.20 4.77 5.02 -0.50 -1.91 118.16 122.27 1rk3 n LYS 298 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 1rk3 n LYS 298 Cb 0.55 -1.19 0.15 0.00 -0.02 0.00 0.00 35.03 34.53 1rk3 n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rk3 n ALA 299 N -0.69 2.31 -0.50 7.82 0.00 -0.46 -0.99 120.51 127.99 1rk3 n ALA 299 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1rk3 n ALA 299 Cb 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1rk3 n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk3 n GLY 300 N 0.11 0.71 3.76 0.00 0.00 -0.80 -4.76 105.19 104.21 1rk3 n GLY 300 Ca 0.12 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1rk3 n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rk3 s HIS 301 N -2.00 3.07 0.52 1.61 3.76 -1.22 -4.85 115.29 116.18 1rk3 s HIS 301 Ca 0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 1rk3 s HIS 301 Cb 0.00 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.23 1rk3 s HIS 301 CO 0.00 0.52 0.31 0.95 -0.85 0.00 0.00 174.74 175.67 1rk3 s THR 302 N -1.74 1.65 0.41 1.30 -4.23 -1.26 -4.08 115.64 107.68 1rk3 s THR 302 Ca 0.30 -1.60 0.35 0.00 -1.18 0.00 0.00 61.69 59.56 1rk3 s THR 302 Cb -0.10 -2.24 0.37 0.00 1.34 0.00 0.00 72.50 71.87 1rk3 s THR 302 CO 0.22 0.00 2.15 -0.07 -0.54 0.00 0.00 174.62 176.38 1rk3 h LEU 303 N 0.92 0.00 -1.73 4.79 3.38 -1.98 -0.94 115.31 119.75 1rk3 h LEU 303 Ca -0.39 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1rk3 h LEU 303 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1rk3 h LEU 303 CO 0.61 0.04 0.37 -0.33 0.09 0.00 0.00 178.44 179.23 1rk3 h GLU 304 N 0.00 0.30 0.01 1.13 4.39 -2.01 -2.00 114.58 116.40 1rk3 h GLU 304 Ca -0.00 -0.02 -0.40 0.00 0.34 0.00 0.00 59.36 59.28 1rk3 h GLU 304 Cb 0.27 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1rk3 h GLU 304 CO 0.01 0.20 -2.28 -0.11 -1.16 0.00 0.00 179.01 175.67 1rk3 n LEU 305 N -4.46 2.23 -0.30 1.33 7.94 -0.85 -4.63 117.00 118.27 1rk3 n LEU 305 Ca 0.09 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.17 1rk3 n LEU 305 Cb 0.39 -0.89 0.07 0.00 0.53 0.00 0.00 43.42 43.52 1rk3 n LEU 305 CO 0.34 0.63 1.07 0.40 -1.11 0.00 0.00 177.39 178.73 1rk3 h ILE 306 N -0.68 1.26 0.04 1.96 2.04 -1.04 -1.59 117.51 119.49 1rk3 h ILE 306 Ca -0.60 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1rk3 h ILE 306 Cb 1.66 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1rk3 h ILE 306 CO -0.27 0.33 -0.02 -0.08 0.00 0.00 0.00 178.15 178.11 1rk3 h GLU 307 N 1.18 -0.06 -0.10 2.37 4.22 -1.63 -0.43 114.58 120.14 1rk3 h GLU 307 Ca 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 1rk3 h GLU 307 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1rk3 h GLU 307 CO -0.03 0.30 -0.03 -1.35 -2.18 0.00 0.00 179.01 175.73 1rk3 h PRO 308 N -0.41 0.14 -0.24 0.92 0.11 -1.75 -1.19 132.00 129.56 1rk3 h PRO 308 Ca -0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1rk3 h PRO 308 Cb 0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1rk3 h PRO 308 CO 0.01 0.18 0.08 1.25 -0.21 0.00 0.00 178.00 179.31 1rk3 h LEU 309 N 0.14 0.35 -0.33 2.35 5.85 -1.06 0.30 115.31 122.91 1rk3 h LEU 309 Ca 0.03 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1rk3 h LEU 309 Cb 0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1rk3 h LEU 309 CO 0.00 0.45 0.17 0.40 -0.34 0.00 0.00 178.44 179.13 1rk3 h ILE 310 N 0.23 1.14 -0.58 4.05 1.08 -0.77 -1.09 117.51 121.58 1rk3 h ILE 310 Ca 0.08 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1rk3 h ILE 310 Cb 0.22 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 1rk3 h ILE 310 CO -0.00 0.14 0.23 0.50 -0.69 0.00 0.00 178.15 178.33 1rk3 h LYS 311 N 0.40 0.41 -0.40 2.37 1.63 -1.20 -1.08 116.57 118.70 1rk3 h LYS 311 Ca 0.11 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1rk3 h LYS 311 Cb 0.07 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 1rk3 h LYS 311 CO -0.02 0.27 0.08 0.35 -3.45 0.00 0.00 179.45 176.68 1rk3 h PHE 312 N 0.42 0.13 -0.65 1.91 3.57 -0.62 -1.54 116.94 120.16 1rk3 h PHE 312 Ca 0.28 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1rk3 h PHE 312 Cb 0.31 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1rk3 h PHE 312 CO -0.15 0.01 0.25 1.96 -2.23 0.00 0.00 178.31 178.15 1rk3 h GLN 313 N 0.21 0.97 0.26 1.11 1.08 -0.20 -0.28 115.11 118.26 1rk3 h GLN 313 Ca 0.19 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1rk3 h GLN 313 Cb 0.23 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1rk3 h GLN 313 CO -0.26 0.82 -0.12 0.28 -0.95 0.00 0.00 178.83 178.60 1rk3 h VAL 314 N 0.91 0.79 -0.86 -0.54 2.07 -1.14 0.13 116.25 117.61 1rk3 h VAL 314 Ca 0.21 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1rk3 h VAL 314 Cb 0.22 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1rk3 h VAL 314 CO -0.02 0.06 0.56 1.23 0.02 0.00 0.00 177.57 179.43 1rk3 h GLY 315 N -0.49 1.23 0.77 2.17 0.00 -1.07 0.48 103.07 106.15 1rk3 h GLY 315 Ca -0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1rk3 h GLY 315 CO 0.06 0.28 -0.24 -2.00 0.00 0.00 0.00 176.54 174.64 1rk3 h LEU 316 N 0.96 0.45 -0.90 3.11 5.85 -0.94 -3.03 115.31 120.82 1rk3 h LEU 316 Ca 0.37 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1rk3 h LEU 316 Cb 0.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1rk3 h LEU 316 CO -0.13 0.90 0.58 0.11 -0.34 0.00 0.00 178.44 179.56 1rk3 h LYS 317 N 0.02 1.08 -0.25 1.25 1.79 -0.19 -1.64 116.57 118.63 1rk3 h LYS 317 Ca 0.01 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1rk3 h LYS 317 Cb 0.81 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1rk3 h LYS 317 CO 0.05 0.72 0.22 0.87 -1.08 0.00 0.00 179.45 180.23 1rk3 h LYS 318 N 1.11 0.00 0.00 3.15 1.57 -0.89 0.43 116.57 121.94 1rk3 h LYS 318 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1rk3 h LYS 318 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1rk3 h LYS 318 CO -0.13 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.68 1rk3 h LEU 319 N 0.00 0.00 -2.01 2.94 3.38 -1.17 -3.47 115.31 114.99 1rk3 h LEU 319 Ca 0.12 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.61 1rk3 h LEU 319 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1rk3 h LEU 319 CO -0.00 0.00 -0.88 0.59 0.09 0.00 0.00 178.44 178.23 1rk3 n ASN 320 N -2.64 -0.85 -4.76 -0.43 5.03 0.14 -4.87 115.26 106.89 1rk3 n ASN 320 Ca 0.00 -0.98 -0.39 0.00 0.87 0.00 0.00 54.58 54.08 1rk3 n ASN 320 Cb 0.19 -3.22 0.02 0.00 -1.02 0.00 0.00 39.78 35.75 1rk3 n ASN 320 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rk3 s LEU 321 N -6.88 3.97 0.61 3.41 1.43 -1.26 -5.00 118.68 114.96 1rk3 s LEU 321 Ca 0.04 2.70 -0.16 0.00 -1.03 0.00 0.00 54.13 55.68 1rk3 s LEU 321 Cb -0.02 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 1rk3 s LEU 321 CO 0.88 -1.29 1.10 -1.00 0.23 0.00 0.00 176.35 176.26 1rk3 s HIS 322 N -1.32 2.73 0.41 0.29 3.76 -1.26 -4.86 115.29 115.04 1rk3 s HIS 322 Ca 0.66 1.54 0.18 0.00 -0.15 0.00 0.00 55.06 57.29 1rk3 s HIS 322 Cb -0.39 -3.16 1.09 0.00 1.11 0.00 0.00 32.58 31.24 1rk3 s HIS 322 CO 0.47 -1.49 1.83 1.49 -0.85 0.00 0.00 174.74 176.19 1rk3 h GLU 323 N 0.47 0.39 -0.44 1.40 4.81 -1.99 -1.24 114.58 117.98 1rk3 h GLU 323 Ca -0.48 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1rk3 h GLU 323 Cb 1.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1rk3 h GLU 323 CO 0.56 0.26 0.07 0.93 -0.73 0.00 0.00 179.01 180.09 1rk3 h GLU 324 N 0.40 0.73 -0.27 1.92 3.07 -1.96 -1.86 114.58 116.61 1rk3 h GLU 324 Ca 0.51 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1rk3 h GLU 324 Cb 1.29 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1rk3 h GLU 324 CO -0.21 0.76 -0.03 0.93 -1.40 0.00 0.00 179.01 179.06 1rk3 h GLU 325 N 0.59 0.50 -0.54 2.33 5.08 -1.66 -2.38 114.58 118.50 1rk3 h GLU 325 Ca 0.13 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1rk3 h GLU 325 Cb 0.39 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1rk3 h GLU 325 CO 0.01 0.68 0.18 1.25 -1.00 0.00 0.00 179.01 180.13 1rk3 h HIS 326 N 0.26 0.31 0.02 4.33 2.76 -0.98 0.58 115.15 122.43 1rk3 h HIS 326 Ca 0.07 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 58.05 1rk3 h HIS 326 Cb 0.48 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1rk3 h HIS 326 CO 0.04 0.08 -0.97 -0.39 -1.30 0.00 0.00 177.93 175.39 1rk3 h VAL 327 N 0.35 1.47 -0.62 5.26 -1.51 -1.39 -2.05 116.25 117.76 1rk3 h VAL 327 Ca 0.27 -2.66 -0.01 0.00 -1.23 0.00 0.00 66.70 63.07 1rk3 h VAL 327 Cb 0.32 2.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.99 1rk3 h VAL 327 CO -0.29 0.78 0.34 -0.07 -1.23 0.00 0.00 177.57 177.11 1rk3 h LEU 328 N 0.14 0.77 -0.54 4.19 3.38 -1.12 -2.38 115.31 119.75 1rk3 h LEU 328 Ca -0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rk3 h LEU 328 Cb 1.62 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1rk3 h LEU 328 CO 0.16 0.64 0.34 0.25 0.09 0.00 0.00 178.44 179.91 1rk3 h LEU 329 N 0.84 0.63 -0.90 1.67 5.85 -0.67 -1.60 115.31 121.14 1rk3 h LEU 329 Ca 0.22 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1rk3 h LEU 329 Cb 0.04 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1rk3 h LEU 329 CO -0.04 0.48 0.58 0.24 -0.34 0.00 0.00 178.44 179.37 1rk3 h MET 330 N 0.73 1.07 -0.30 1.25 2.86 -1.27 -1.71 114.93 117.56 1rk3 h MET 330 Ca 0.20 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 1rk3 h MET 330 Cb -0.05 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.37 1rk3 h MET 330 CO -0.04 0.71 -0.47 0.00 1.06 0.00 0.00 176.91 178.17 1rk3 h ALA 331 N 1.38 0.61 -0.47 6.32 0.00 -1.09 -1.99 119.26 124.02 1rk3 h ALA 331 Ca 0.37 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1rk3 h ALA 331 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rk3 h ALA 331 CO -0.13 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.58 1rk3 h ILE 332 N 0.63 1.25 -0.46 0.00 2.04 -1.17 -1.13 117.51 118.66 1rk3 h ILE 332 Ca 0.03 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1rk3 h ILE 332 Cb 1.04 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1rk3 h ILE 332 CO 0.10 0.37 0.18 0.00 0.00 0.00 0.00 178.15 178.80 1rk3 h ILE 334 N 0.61 1.18 -1.17 0.00 2.04 -1.09 -3.31 117.51 115.77 1rk3 h ILE 334 Ca 0.15 -0.54 -0.74 0.00 1.00 0.00 0.00 64.86 64.73 1rk3 h ILE 334 Cb 0.20 1.06 -0.13 0.00 -0.74 0.00 0.00 36.82 37.22 1rk3 h ILE 334 CO -0.01 0.18 2.39 0.52 0.00 0.00 0.00 178.15 181.23 1rk3 n VAL 335 N -4.77 5.14 -3.58 1.67 0.31 -0.45 -4.77 118.33 111.88 1rk3 n VAL 335 Ca -0.03 -4.32 -0.38 0.00 -0.01 0.00 0.00 64.34 59.61 1rk3 n VAL 335 Cb 0.14 -2.11 -0.11 0.00 -0.91 0.00 0.00 33.84 30.85 1rk3 n VAL 335 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rk3 s SER 336 N 0.44 6.05 0.25 4.52 0.01 -1.24 -4.46 113.70 119.26 1rk3 s SER 336 Ca 0.53 0.02 0.23 0.00 1.31 0.00 0.00 55.95 58.05 1rk3 s SER 336 Cb 0.17 -2.13 0.97 0.00 0.21 0.00 0.00 66.02 65.25 1rk3 s SER 336 CO -0.08 -0.05 1.71 -0.81 0.41 0.00 0.00 173.24 174.41 1rk3 n PRO 337 N 5.02 0.19 -0.19 12.44 -0.04 -1.26 -3.45 135.00 147.72 1rk3 n PRO 337 Ca -0.14 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1rk3 n PRO 337 Cb 0.52 -1.86 0.27 0.00 -0.04 0.00 0.00 33.50 32.38 1rk3 n PRO 337 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rk3 n ASP 338 N -2.23 2.69 -4.75 3.54 3.85 -1.26 -4.83 116.55 113.57 1rk3 n ASP 338 Ca 0.02 -1.92 -0.41 0.00 -0.71 0.00 0.00 54.79 51.78 1rk3 n ASP 338 Cb 0.24 -0.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.73 1rk3 n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1rk3 s ARG 339 N -1.50 4.40 0.18 0.11 1.81 -1.22 -4.94 118.95 117.80 1rk3 s ARG 339 Ca 0.36 2.10 -0.33 0.00 -1.72 0.00 0.00 55.73 56.13 1rk3 s ARG 339 Cb 0.19 -3.14 -0.13 0.00 -0.45 0.00 0.00 34.95 31.42 1rk3 s ARG 339 CO 0.27 -0.17 1.57 -0.35 -0.68 0.00 0.00 175.30 175.94 1rk3 n PRO 340 N 1.72 2.24 0.00 3.54 -0.04 -1.26 -2.69 135.00 138.51 1rk3 n PRO 340 Ca 0.03 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1rk3 n PRO 340 Cb 0.42 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1rk3 n PRO 340 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rk3 n GLY 341 N 3.25 0.15 3.73 0.55 0.00 -1.26 -4.99 105.19 106.61 1rk3 n GLY 341 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1rk3 n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rk3 s VAL 342 N -2.00 2.67 -0.13 1.61 1.01 -1.10 -4.96 120.40 117.51 1rk3 s VAL 342 Ca 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1rk3 s VAL 342 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1rk3 s VAL 342 CO 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 175.10 174.99 1rk3 n GLN 343 N 3.49 0.40 -2.29 2.72 1.13 -1.26 -4.65 117.38 116.92 1rk3 n GLN 343 Ca 0.12 0.50 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 1rk3 n GLN 343 Cb 0.39 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1rk3 n GLN 343 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1rk3 n ASP 344 N -4.37 5.75 0.24 1.08 4.64 -1.26 -4.79 116.55 117.84 1rk3 n ASP 344 Ca -0.06 -3.13 0.07 0.00 -1.38 0.00 0.00 54.79 50.29 1rk3 n ASP 344 Cb 0.24 -1.44 0.57 0.00 -1.04 0.00 0.00 41.12 39.45 1rk3 n ASP 344 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rk3 h ALA 345 N 5.49 1.62 -0.50 -1.67 0.00 -1.88 -2.30 119.26 120.03 1rk3 h ALA 345 Ca 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1rk3 h ALA 345 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rk3 h ALA 345 CO 1.59 0.19 0.23 0.87 0.00 0.00 0.00 179.25 182.13 1rk3 h LYS 346 N 0.00 0.72 -0.35 0.00 1.79 -1.94 -1.25 116.57 115.53 1rk3 h LYS 346 Ca -0.00 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 1rk3 h LYS 346 Cb 0.30 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1rk3 h LYS 346 CO 0.02 0.61 -0.26 1.25 -1.08 0.00 0.00 179.45 179.99 1rk3 h LEU 347 N 0.66 0.83 -0.67 2.94 5.85 -1.84 -1.77 115.31 121.31 1rk3 h LEU 347 Ca 0.17 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1rk3 h LEU 347 Cb 0.13 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1rk3 h LEU 347 CO -0.02 1.09 0.40 0.58 -0.34 0.00 0.00 178.44 180.16 1rk3 h VAL 348 N 0.57 1.05 -0.71 1.05 2.07 -1.36 -1.62 116.25 117.30 1rk3 h VAL 348 Ca 0.07 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1rk3 h VAL 348 Cb 0.83 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1rk3 h VAL 348 CO 0.07 0.14 0.22 -0.08 0.02 0.00 0.00 177.57 177.94 1rk3 h GLU 349 N 0.78 1.11 -0.46 1.57 4.81 -1.11 -1.85 114.58 119.42 1rk3 h GLU 349 Ca 0.28 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1rk3 h GLU 349 Cb 0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1rk3 h GLU 349 CO -0.13 0.95 0.03 0.00 -0.73 0.00 0.00 179.01 179.14 1rk3 h ALA 350 N 1.11 1.19 -0.30 2.92 0.00 -0.97 0.14 119.26 123.34 1rk3 h ALA 350 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rk3 h ALA 350 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rk3 h ALA 350 CO -0.01 0.54 -0.09 0.82 0.00 0.00 0.00 179.25 180.51 1rk3 h ILE 351 N 0.70 1.28 -0.45 0.00 2.04 -1.05 -2.91 117.51 117.13 1rk3 h ILE 351 Ca 0.14 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1rk3 h ILE 351 Cb 0.39 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1rk3 h ILE 351 CO 0.01 0.37 0.23 -0.61 0.00 0.00 0.00 178.15 178.15 1rk3 h GLN 352 N 0.36 0.64 -0.80 2.37 4.15 -1.11 -2.92 115.11 117.79 1rk3 h GLN 352 Ca 0.07 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.49 1rk3 h GLN 352 Cb 0.59 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 1rk3 h GLN 352 CO 0.03 0.54 0.46 -0.44 -1.93 0.00 0.00 178.83 177.49 1rk3 h ASP 353 N 0.59 0.66 -0.60 -0.69 3.32 -0.71 0.51 116.42 119.50 1rk3 h ASP 353 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1rk3 h ASP 353 Cb 0.10 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1rk3 h ASP 353 CO -0.02 0.39 0.34 -0.09 -1.72 0.00 0.00 179.24 178.13 1rk3 h ARG 354 N 0.78 0.85 -0.11 3.56 2.43 -1.39 0.17 114.38 120.67 1rk3 h ARG 354 Ca 0.38 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 1rk3 h ARG 354 Cb 0.33 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1rk3 h ARG 354 CO -0.24 0.63 -0.67 -0.07 -1.51 0.00 0.00 179.97 178.12 1rk3 h LEU 355 N 0.86 0.78 -0.12 3.80 3.38 -0.88 -2.67 115.31 120.47 1rk3 h LEU 355 Ca 0.22 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rk3 h LEU 355 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1rk3 h LEU 355 CO -0.04 1.31 0.07 0.28 0.09 0.00 0.00 178.44 180.15 1rk3 h SER 356 N 0.32 0.15 -0.78 -0.43 0.02 0.28 -0.44 113.55 112.68 1rk3 h SER 356 Ca -0.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1rk3 h SER 356 Cb 1.31 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1rk3 h SER 356 CO 0.14 0.20 0.49 0.78 -1.14 0.00 0.00 176.83 177.30 1rk3 h ASN 357 N 0.10 0.93 -0.58 3.07 2.35 -1.09 -0.28 115.58 120.08 1rk3 h ASN 357 Ca 0.04 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1rk3 h ASN 357 Cb 0.08 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1rk3 h ASN 357 CO -0.01 0.70 0.22 0.74 -1.65 0.00 0.00 177.43 177.44 1rk3 h THR 358 N 1.08 1.23 -0.30 2.81 2.02 -1.09 -1.86 112.91 116.79 1rk3 h THR 358 Ca 0.29 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1rk3 h THR 358 Cb -0.07 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1rk3 h THR 358 CO -0.06 0.28 0.11 0.25 0.37 0.00 0.00 175.52 176.48 1rk3 h LEU 359 N 0.80 0.42 -0.30 2.58 5.85 -0.34 -1.05 115.31 123.27 1rk3 h LEU 359 Ca 0.19 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rk3 h LEU 359 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1rk3 h LEU 359 CO -0.01 0.48 0.14 1.56 -0.34 0.00 0.00 178.44 180.27 1rk3 h GLN 360 N 0.34 0.43 -0.47 1.25 4.20 -0.99 -1.23 115.11 118.64 1rk3 h GLN 360 Ca 0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1rk3 h GLN 360 Cb 0.20 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1rk3 h GLN 360 CO -0.01 0.41 0.17 1.15 -0.67 0.00 0.00 178.83 179.89 1rk3 h THR 361 N 0.35 1.22 -0.45 -0.54 2.02 -1.35 -2.26 112.91 111.90 1rk3 h THR 361 Ca 0.10 -0.69 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1rk3 h THR 361 Cb 0.12 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1rk3 h THR 361 CO -0.01 0.25 0.10 0.22 0.37 0.00 0.00 175.52 176.45 1rk3 h TYR 362 N 0.63 0.16 -0.41 3.16 5.03 -0.90 -1.12 116.97 123.51 1rk3 h TYR 362 Ca 0.16 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.51 1rk3 h TYR 362 Cb 0.23 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 1rk3 h TYR 362 CO 0.01 0.01 0.25 0.82 -1.32 0.00 0.00 178.16 177.93 1rk3 h ILE 363 N 0.24 1.05 -0.23 1.81 2.04 -1.01 0.24 117.51 121.65 1rk3 h ILE 363 Ca 0.22 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 1rk3 h ILE 363 Cb 0.28 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1rk3 h ILE 363 CO -0.29 0.09 -0.32 0.03 0.00 0.00 0.00 178.15 177.67 1rk3 h ARG 364 N 0.50 0.46 0.00 2.37 3.08 -0.98 -2.25 114.38 117.56 1rk3 h ARG 364 Ca 0.16 -0.20 -0.22 0.00 0.07 0.00 0.00 59.98 59.79 1rk3 h ARG 364 Cb -0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1rk3 h ARG 364 CO -0.07 0.73 -1.64 0.00 -1.07 0.00 0.00 179.97 177.92 1rk3 n ARG 366 N -2.89 2.83 -3.69 0.00 5.12 0.07 -4.97 116.66 113.13 1rk3 n ARG 366 Ca -0.14 -0.07 -0.38 0.00 -1.93 0.00 0.00 57.85 55.33 1rk3 n ARG 366 Cb 0.93 -0.40 -0.11 0.00 -1.16 0.00 0.00 32.46 31.72 1rk3 n ARG 366 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1rk3 s HIS 367 N -0.42 3.39 0.24 -1.55 2.46 -0.85 -5.01 115.29 113.56 1rk3 s HIS 367 Ca 0.00 -1.81 -0.30 0.00 0.47 0.00 0.00 55.06 53.42 1rk3 s HIS 367 Cb 0.00 -2.91 -0.09 0.00 -0.13 0.00 0.00 32.58 29.45 1rk3 s HIS 367 CO 0.00 -0.88 1.18 -2.14 -2.47 0.00 0.00 174.74 170.43 1rk3 s PRO 368 N 1.33 4.53 0.66 2.88 0.02 -1.26 -4.44 135.00 138.71 1rk3 s PRO 368 Ca 0.03 1.90 -0.17 0.00 0.02 0.00 0.00 61.00 62.78 1rk3 s PRO 368 Cb -0.22 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 1rk3 s PRO 368 CO -0.00 0.02 1.11 -0.35 -0.33 0.00 0.00 177.00 177.44 1rk3 n PRO 369 N 1.74 0.86 0.12 5.54 -0.04 -1.26 -2.95 135.00 139.01 1rk3 n PRO 369 Ca 0.02 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1rk3 n PRO 369 Cb 0.44 -2.34 0.34 0.00 -0.04 0.00 0.00 33.50 31.90 1rk3 n PRO 369 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1rk3 h PRO 370 N 0.26 0.00 -1.10 0.54 0.13 -2.03 -3.46 132.00 126.35 1rk3 h PRO 370 Ca -0.49 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.94 1rk3 h PRO 370 Cb 1.35 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.39 1rk3 h PRO 370 CO 0.50 0.00 0.72 0.78 -0.23 0.00 0.00 178.00 179.78 1rk3 h GLY 371 N 4.41 1.00 1.41 1.56 0.00 -1.89 0.12 103.07 109.68 1rk3 h GLY 371 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1rk3 h GLY 371 CO 0.00 -0.14 0.00 -1.14 0.00 0.00 0.00 176.54 175.26 1rk3 n SER 372 N -4.55 0.00 -4.56 0.19 3.41 -1.22 -4.70 113.62 102.18 1rk3 n SER 372 Ca 0.27 -0.22 -0.45 0.00 -0.26 0.00 0.00 58.87 58.20 1rk3 n SER 372 Cb 1.01 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.71 1rk3 n SER 372 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1rk3 n HIS 373 N -1.21 1.91 -3.22 7.33 -0.00 0.03 -1.72 115.22 118.34 1rk3 n HIS 373 Ca 0.12 -0.03 -0.22 0.00 -0.00 0.00 0.00 57.72 57.60 1rk3 n HIS 373 Cb 0.15 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.46 1rk3 n HIS 373 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1rk3 n GLN 374 N 8.47 -3.42 -0.14 1.57 6.02 -1.26 -4.86 117.38 123.76 1rk3 n GLN 374 Ca 0.32 0.53 -0.12 0.00 -0.01 0.00 0.00 57.00 57.72 1rk3 n GLN 374 Cb 0.38 -5.24 -0.01 0.00 1.02 0.00 0.00 30.24 26.39 1rk3 n GLN 374 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1rk3 h LEU 375 N -0.90 1.02 -0.08 1.08 5.85 -1.61 -2.13 115.31 118.54 1rk3 h LEU 375 Ca -0.42 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 57.90 1rk3 h LEU 375 Cb 1.29 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1rk3 h LEU 375 CO 0.51 1.23 -0.04 0.22 -0.34 0.00 0.00 178.44 180.02 1rk3 h TYR 376 N 0.82 -0.09 -0.16 1.25 3.20 -1.89 -1.15 116.97 118.95 1rk3 h TYR 376 Ca 0.09 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1rk3 h TYR 376 Cb 0.88 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1rk3 h TYR 376 CO 0.06 -0.06 -0.22 0.00 -1.64 0.00 0.00 178.16 176.30 1rk3 h ALA 377 N 1.05 1.33 -0.04 1.82 0.00 -1.93 -0.26 119.26 121.23 1rk3 h ALA 377 Ca 0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1rk3 h ALA 377 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rk3 h ALA 377 CO -0.10 0.45 -0.55 0.87 0.00 0.00 0.00 179.25 179.92 1rk3 h LYS 378 N 0.26 0.12 -0.18 0.00 1.57 -1.06 -1.78 116.57 115.51 1rk3 h LYS 378 Ca 0.05 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1rk3 h LYS 378 Cb 0.53 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1rk3 h LYS 378 CO 0.04 0.64 -0.65 0.52 -0.57 0.00 0.00 179.45 179.43 1rk3 h MET 379 N 0.09 0.65 -0.19 3.15 2.86 -0.23 -2.96 114.93 118.31 1rk3 h MET 379 Ca -0.00 -0.47 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 1rk3 h MET 379 Cb 0.99 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1rk3 h MET 379 CO 0.08 1.09 -0.37 0.82 1.06 0.00 0.00 176.91 179.58 1rk3 h ILE 380 N 0.47 1.30 -0.65 -1.22 1.08 -1.00 -2.57 117.51 114.91 1rk3 h ILE 380 Ca -0.01 -1.48 -0.04 0.00 -0.39 0.00 0.00 64.86 62.94 1rk3 h ILE 380 Cb 1.23 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 1rk3 h ILE 380 CO 0.13 0.46 0.25 -0.61 -0.69 0.00 0.00 178.15 177.68 1rk3 h GLN 381 N 0.36 0.97 -0.90 2.37 5.75 -1.35 -2.20 115.11 120.11 1rk3 h GLN 381 Ca 0.04 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1rk3 h GLN 381 Cb 0.81 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 1rk3 h GLN 381 CO 0.07 0.80 0.59 0.87 -2.65 0.00 0.00 178.83 178.51 1rk3 h LYS 382 N 0.95 1.11 -0.53 1.69 1.79 -1.29 -0.12 116.57 120.17 1rk3 h LYS 382 Ca 0.22 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1rk3 h LYS 382 Cb 0.21 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1rk3 h LYS 382 CO -0.02 0.74 0.35 -0.07 -1.08 0.00 0.00 179.45 179.37 1rk3 h LEU 383 N 1.15 0.61 -0.24 2.94 3.38 -1.25 0.99 115.31 122.90 1rk3 h LEU 383 Ca 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1rk3 h LEU 383 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1rk3 h LEU 383 CO -0.10 0.45 0.06 0.00 0.09 0.00 0.00 178.44 178.94 1rk3 h ALA 384 N 1.66 0.31 -0.82 1.53 0.00 -0.91 -2.92 119.26 118.11 1rk3 h ALA 384 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rk3 h ALA 384 Cb -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1rk3 h ALA 384 CO -0.04 -0.04 0.47 -0.44 0.00 0.00 0.00 179.25 179.20 1rk3 h ASP 385 N 0.21 1.00 -0.28 0.00 3.45 -0.47 -1.75 116.42 118.58 1rk3 h ASP 385 Ca 0.07 -0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.47 1rk3 h ASP 385 Cb 0.27 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1rk3 h ASP 385 CO 0.00 0.79 0.19 -0.07 -1.57 0.00 0.00 179.24 178.58 1rk3 h LEU 386 N 1.13 0.29 -1.17 1.55 3.38 -0.77 -2.00 115.31 117.72 1rk3 h LEU 386 Ca 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1rk3 h LEU 386 Cb -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1rk3 h LEU 386 CO -0.05 0.20 0.50 0.03 0.09 0.00 0.00 178.44 179.21 1rk3 h ARG 387 N 0.34 1.06 -0.19 1.13 2.47 -1.12 0.12 114.38 118.19 1rk3 h ARG 387 Ca 0.11 -0.08 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1rk3 h ARG 387 Cb 0.02 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.11 1rk3 h ARG 387 CO -0.02 0.73 -0.24 0.77 0.56 0.00 0.00 179.97 181.77 1rk3 h SER 388 N 1.09 0.53 -0.74 7.04 0.02 -1.37 -1.79 113.55 118.33 1rk3 h SER 388 Ca 0.29 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1rk3 h SER 388 Cb -0.08 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1rk3 h SER 388 CO -0.06 0.93 0.45 -0.07 -1.14 0.00 0.00 176.83 176.94 1rk3 h LEU 389 N 0.14 0.87 -0.22 5.07 3.38 -1.31 -1.59 115.31 121.65 1rk3 h LEU 389 Ca 0.02 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1rk3 h LEU 389 Cb 0.80 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1rk3 h LEU 389 CO 0.06 0.67 0.00 -1.13 0.09 0.00 0.00 178.44 178.13 1rk3 h ASN 390 N 1.00 -0.08 -0.63 -0.43 -0.73 -0.54 0.71 115.58 114.87 1rk3 h ASN 390 Ca 0.27 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 1rk3 h ASN 390 Cb -0.05 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 1rk3 h ASN 390 CO -0.05 -0.01 0.30 -0.33 -0.37 0.00 0.00 177.43 176.97 1rk3 h GLU 391 N 0.07 0.92 -0.23 6.67 4.39 -1.13 0.49 114.58 125.76 1rk3 h GLU 391 Ca 0.10 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1rk3 h GLU 391 Cb 0.13 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1rk3 h GLU 391 CO -0.18 0.74 -0.25 1.49 -1.16 0.00 0.00 179.01 179.65 1rk3 h GLU 392 N 0.88 0.57 -0.45 2.33 4.57 -1.14 -1.95 114.58 119.39 1rk3 h GLU 392 Ca 0.22 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1rk3 h GLU 392 Cb 0.13 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 1rk3 h GLU 392 CO -0.03 0.90 0.17 1.25 -1.18 0.00 0.00 179.01 180.13 1rk3 h HIS 393 N 0.27 0.31 -0.61 0.92 2.76 -0.69 -1.63 115.15 116.48 1rk3 h HIS 393 Ca 0.03 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1rk3 h HIS 393 Cb 0.81 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 1rk3 h HIS 393 CO 0.08 0.12 0.38 1.03 -1.30 0.00 0.00 177.93 178.24 1rk3 h SER 394 N 0.35 0.73 -0.12 3.26 0.87 -0.82 0.31 113.55 118.14 1rk3 h SER 394 Ca 0.21 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1rk3 h SER 394 Cb 0.19 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1rk3 h SER 394 CO -0.20 0.57 -0.13 0.11 -0.53 0.00 0.00 176.83 176.65 1rk3 h LYS 395 N 0.83 -0.16 -0.18 2.24 1.57 -1.08 0.07 116.57 119.87 1rk3 h LYS 395 Ca 0.22 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1rk3 h LYS 395 Cb -0.03 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1rk3 h LYS 395 CO -0.04 -0.10 -0.49 1.96 -0.57 0.00 0.00 179.45 180.20 1rk3 h GLN 396 N -0.16 0.47 -0.60 3.15 4.20 -1.08 -2.49 115.11 118.60 1rk3 h GLN 396 Ca 0.09 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.55 1rk3 h GLN 396 Cb 0.29 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1rk3 h GLN 396 CO -0.21 0.86 0.37 -0.92 -0.67 0.00 0.00 178.83 178.25 1rk3 h TYR 397 N 0.37 0.69 -1.00 2.96 3.20 -0.08 0.27 116.97 123.38 1rk3 h TYR 397 Ca 0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1rk3 h TYR 397 Cb 1.00 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 1rk3 h TYR 397 CO 0.03 0.39 0.66 -0.09 -1.64 0.00 0.00 178.16 177.52 1rk3 h ARG 398 N 0.73 1.26 0.00 1.82 2.43 -0.77 0.54 114.38 120.38 1rk3 h ARG 398 Ca 0.24 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 59.14 1rk3 h ARG 398 Cb 0.01 -0.28 0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1rk3 h ARG 398 CO -0.10 0.83 -0.75 1.03 -1.51 0.00 0.00 179.97 179.47 1rk3 h SER 399 N 1.29 0.65 -0.35 -3.80 0.87 -0.97 -2.47 113.55 108.77 1rk3 h SER 399 Ca 0.39 -0.76 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1rk3 h SER 399 Cb -0.05 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1rk3 h SER 399 CO -0.11 1.33 0.14 0.25 -0.53 0.00 0.00 176.83 177.90 1rk3 h LEU 400 N 0.04 0.17 -0.28 2.23 6.46 -0.32 -3.25 115.31 120.36 1rk3 h LEU 400 Ca -0.09 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1rk3 h LEU 400 Cb 1.45 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1rk3 h LEU 400 CO 0.15 0.13 -0.20 -1.54 -0.62 0.00 0.00 178.44 176.36 1rk3 n SER 401 N -5.00 0.64 0.01 1.25 3.41 0.17 -3.54 113.62 110.56 1rk3 n SER 401 Ca 0.01 -0.58 -0.04 0.00 -0.26 0.00 0.00 58.87 58.00 1rk3 n SER 401 Cb 0.11 0.01 0.19 0.00 -0.26 0.00 0.00 64.21 64.27 1rk3 n SER 401 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rk3 h PHE 402 N 0.68 0.55 -3.02 7.33 3.04 -1.47 -3.41 116.94 120.63 1rk3 h PHE 402 Ca 0.00 -0.12 -0.57 0.00 3.98 0.00 0.00 57.97 61.26 1rk3 h PHE 402 Cb 0.44 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1rk3 h PHE 402 CO 0.00 0.71 1.10 -0.65 -2.02 0.00 0.00 178.31 177.45 1rk3 s GLN 403 N -4.46 3.65 0.54 1.11 -1.52 -1.23 -4.94 119.66 112.81 1rk3 s GLN 403 Ca -0.07 1.26 0.21 0.00 -1.95 0.00 0.00 55.36 54.81 1rk3 s GLN 403 Cb 0.14 -4.03 1.46 0.00 -0.22 0.00 0.00 33.01 30.36 1rk3 s GLN 403 CO 0.79 -1.47 2.17 -1.35 -0.25 0.00 0.00 175.29 175.19 1rk3 h PRO 404 N 10.83 0.00 0.00 2.91 0.11 -1.89 -0.69 132.00 143.26 1rk3 h PRO 404 Ca -0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1rk3 h PRO 404 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1rk3 h PRO 404 CO 1.05 0.00 -0.33 1.05 -0.21 0.00 0.00 178.00 179.55 1rk3 h GLU 405 N 0.00 0.00 0.14 1.05 9.09 -1.95 -0.31 114.58 122.60 1rk3 h GLU 405 Ca 0.02 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.22 1rk3 h GLU 405 Cb 0.07 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.19 1rk3 h GLU 405 CO -0.00 0.33 -0.96 -0.91 0.05 0.00 0.00 179.01 177.52 1rk3 h ASN 406 N 0.00 0.45 -0.96 3.06 2.35 -1.43 -3.32 115.58 115.72 1rk3 h ASN 406 Ca -0.00 -0.93 0.12 0.00 -0.55 0.00 0.00 56.30 54.94 1rk3 h ASN 406 Cb 0.74 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.89 1rk3 h ASN 406 CO 0.04 1.45 0.61 -1.28 -1.65 0.00 0.00 177.43 176.60 1rk3 h SER 407 N -0.36 0.85 -0.20 5.81 0.87 -1.27 -0.36 113.55 118.89 1rk3 h SER 407 Ca -0.18 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1rk3 h SER 407 Cb 1.67 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1rk3 h SER 407 CO 0.13 0.46 0.18 0.24 -0.53 0.00 0.00 176.83 177.31 1rk3 h MET 408 N 0.92 0.00 -0.01 2.24 2.86 -1.15 -2.09 114.93 117.70 1rk3 h MET 408 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1rk3 h MET 408 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1rk3 h MET 408 CO -0.23 0.00 -0.12 1.63 1.06 0.00 0.00 176.91 179.25 1rk3 n LYS 409 N -4.05 1.07 -1.75 1.72 4.76 -0.15 -4.90 118.16 114.87 1rk3 n LYS 409 Ca 0.02 -0.54 -0.19 0.00 -2.87 0.00 0.00 58.31 54.73 1rk3 n LYS 409 Cb 0.32 -1.49 0.12 0.00 -1.84 0.00 0.00 35.03 32.13 1rk3 n LYS 409 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rk3 n LEU 410 N -0.49 0.00 -4.77 -0.35 4.77 -0.79 -4.53 117.00 110.84 1rk3 n LEU 410 Ca 0.16 -1.33 -0.22 0.00 -0.03 0.00 0.00 56.01 54.59 1rk3 n LEU 410 Cb 0.32 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1rk3 n LEU 410 CO 0.22 -1.01 -0.20 0.42 -1.33 0.00 0.00 177.39 175.50 1rk3 s THR 411 N -2.61 3.81 0.26 -5.08 -4.23 -1.26 -5.03 115.64 101.51 1rk3 s THR 411 Ca 0.51 -1.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1rk3 s THR 411 Cb -0.02 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.91 1rk3 s THR 411 CO 0.35 -0.30 1.86 -0.65 -0.54 0.00 0.00 174.62 175.34 1rk3 h PRO 412 N 1.55 1.03 -0.39 3.99 0.11 -1.99 -1.59 132.00 134.71 1rk3 h PRO 412 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1rk3 h PRO 412 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1rk3 h PRO 412 CO 0.61 0.68 -0.10 1.25 -0.21 0.00 0.00 178.00 180.22 1rk3 h LEU 413 N 1.06 0.77 -0.97 2.35 5.85 -1.97 -0.89 115.31 121.51 1rk3 h LEU 413 Ca 0.42 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1rk3 h LEU 413 Cb 0.23 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1rk3 h LEU 413 CO -0.19 0.96 0.64 0.58 -0.34 0.00 0.00 178.44 180.09 1rk3 h VAL 414 N 0.57 1.22 -0.51 1.05 2.07 -1.88 -0.06 116.25 118.72 1rk3 h VAL 414 Ca 0.10 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1rk3 h VAL 414 Cb 0.63 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1rk3 h VAL 414 CO 0.04 0.23 -0.13 -0.07 0.02 0.00 0.00 177.57 177.66 1rk3 h LEU 415 N 1.28 0.99 -0.35 2.57 3.38 -0.83 -0.34 115.31 122.02 1rk3 h LEU 415 Ca 0.37 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1rk3 h LEU 415 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1rk3 h LEU 415 CO -0.09 1.13 0.04 -0.08 0.09 0.00 0.00 178.44 179.53 1rk3 h GLU 416 N 0.84 0.59 0.07 1.13 4.81 -0.99 -1.17 114.58 119.85 1rk3 h GLU 416 Ca 0.13 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1rk3 h GLU 416 Cb 0.70 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.03 1rk3 h GLU 416 CO 0.05 0.67 -0.54 0.28 -0.73 0.00 0.00 179.01 178.74 1rk3 h VAL 417 N 0.42 1.55 0.00 0.32 2.07 -0.91 -3.37 116.25 116.33 1rk3 h VAL 417 Ca 0.10 -2.32 -0.25 0.00 0.82 0.00 0.00 66.70 65.05 1rk3 h VAL 417 Cb 0.38 3.05 -0.04 0.00 -1.52 0.00 0.00 31.29 33.16 1rk3 h VAL 417 CO 0.01 0.65 -1.50 -0.26 0.02 0.00 0.00 177.57 176.49 1rk3 h PHE 418 N -0.45 0.00 0.00 1.57 0.05 -1.20 -3.47 116.94 113.44 1rk3 h PHE 418 Ca -0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.70 1rk3 h PHE 418 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.32 1rk3 h PHE 418 CO 0.20 0.91 0.00 0.41 -0.18 0.00 0.00 178.31 179.65 1rk3 n GLY 419 N 1.48 4.41 3.85 -1.45 0.00 -0.45 -5.01 105.19 108.02 1rk3 n GLY 419 Ca -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1rk3 n GLY 419 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02