#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd1 n PRO 134 N 0.00 0.84 -1.80 2.89 -0.02 -1.26 -4.91 135.00 130.73 1pd1 n PRO 134 Ca 0.00 -0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 60.42 1pd1 n PRO 134 Cb 0.00 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1pd1 n PRO 134 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1pd1 s MET 135 N 3.28 4.15 0.09 -0.52 -1.94 -1.26 -4.86 119.30 118.23 1pd1 s MET 135 Ca 0.20 2.54 -0.36 0.00 -1.71 0.00 0.00 55.69 56.36 1pd1 s MET 135 Cb 0.07 -3.06 -0.18 0.00 2.01 0.00 0.00 34.83 33.68 1pd1 s MET 135 CO -0.01 -0.64 1.12 0.09 -0.01 0.00 0.00 175.02 175.57 1pd1 n ASN 136 N 2.92 0.71 -4.88 3.03 3.02 -1.26 -4.93 115.26 113.87 1pd1 n ASN 136 Ca 0.11 1.14 -0.33 0.00 -0.03 0.00 0.00 54.58 55.47 1pd1 n ASN 136 Cb 0.37 -1.08 -0.05 0.00 -0.61 0.00 0.00 39.78 38.41 1pd1 n ASN 136 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pd1 s GLN 137 N -0.07 3.75 0.11 3.52 -1.52 -1.26 -4.79 119.66 119.40 1pd1 s GLN 137 Ca 0.82 0.15 -0.31 0.00 -1.95 0.00 0.00 55.36 54.07 1pd1 s GLN 137 Cb -1.03 -2.85 -0.07 0.00 -0.22 0.00 0.00 33.01 28.84 1pd1 s GLN 137 CO 0.53 0.46 1.24 -1.17 -0.25 0.00 0.00 175.29 176.09 1pd1 s LEU 138 N -2.40 4.39 -0.56 2.90 0.20 -1.26 -4.90 118.68 117.05 1pd1 s LEU 138 Ca 0.40 2.14 0.04 0.00 0.69 0.00 0.00 54.13 57.40 1pd1 s LEU 138 Cb -0.13 -3.59 0.14 0.00 -0.43 0.00 0.00 46.19 42.19 1pd1 s LEU 138 CO 0.21 -0.48 0.32 -0.31 -0.29 0.00 0.00 176.35 175.80 1pd1 s TYR 139 N 0.76 3.14 0.34 5.38 1.51 -1.26 -5.05 117.35 122.16 1pd1 s TYR 139 Ca 0.58 -3.14 -0.29 0.00 -1.01 0.00 0.00 57.07 53.21 1pd1 s TYR 139 Cb -0.32 -2.68 -0.11 0.00 -0.11 0.00 0.00 41.96 38.75 1pd1 s TYR 139 CO 0.31 -0.69 1.50 -1.25 -1.11 0.00 0.00 175.55 174.31 1pd1 s PRO 140 N -0.54 4.15 0.11 -1.71 0.04 -1.26 -0.65 135.00 135.13 1pd1 s PRO 140 Ca 0.19 2.52 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1pd1 s PRO 140 Cb -0.20 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1pd1 s PRO 140 CO -0.05 -0.53 0.06 0.96 0.04 0.00 0.00 177.00 177.49 1pd1 s ILE 141 N -0.68 0.13 -0.34 0.56 -4.36 0.15 -4.84 121.20 111.81 1pd1 s ILE 141 Ca 0.56 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1pd1 s ILE 141 Cb -0.46 -1.88 0.04 0.00 1.25 0.00 0.00 42.46 41.41 1pd1 s ILE 141 CO 0.56 -0.58 0.12 -0.62 0.24 0.00 0.00 174.94 174.65 1pd1 s ASP 142 N -3.00 5.36 0.45 4.36 -1.08 -1.26 -2.26 116.67 119.24 1pd1 s ASP 142 Ca 0.19 -1.12 0.18 0.00 -0.52 0.00 0.00 52.55 51.28 1pd1 s ASP 142 Cb 0.07 -1.89 1.14 0.00 -1.46 0.00 0.00 42.92 40.78 1pd1 s ASP 142 CO -0.02 -0.33 1.93 -0.07 0.52 0.00 0.00 175.17 177.20 1pd1 h LEU 143 N 8.25 0.30 -0.75 -1.34 3.38 -1.55 -0.02 115.31 123.58 1pd1 h LEU 143 Ca -0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1pd1 h LEU 143 Cb 1.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pd1 h LEU 143 CO 0.61 0.15 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1pd1 n LEU 144 N -4.45 0.57 -0.25 1.67 4.77 -1.26 -1.67 117.00 116.38 1pd1 n LEU 144 Ca 0.14 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.89 1pd1 n LEU 144 Cb 0.57 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1pd1 n LEU 144 CO 0.34 -0.60 0.32 0.41 -1.33 0.00 0.00 177.39 176.53 1pd1 n THR 145 N -2.15 0.00 -2.03 -5.08 -1.04 -0.02 -4.40 114.28 99.55 1pd1 n THR 145 Ca 0.02 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.05 61.60 1pd1 n THR 145 Cb 0.18 0.85 0.03 0.00 -1.82 0.00 0.00 70.33 69.57 1pd1 n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pd1 n GLU 146 N -0.74 3.23 -4.76 -2.82 1.02 -0.67 -4.96 120.64 110.94 1pd1 n GLU 146 Ca 0.08 -4.00 -0.33 0.00 -0.02 0.00 0.00 57.16 52.89 1pd1 n GLU 146 Cb 0.39 -2.27 -0.16 0.00 -0.02 0.00 0.00 31.44 29.38 1pd1 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pd1 s LEU 147 N -3.71 2.26 0.62 -4.62 1.02 -1.26 -1.82 118.68 111.17 1pd1 s LEU 147 Ca 0.53 -0.53 -0.18 0.00 0.02 0.00 0.00 54.13 53.97 1pd1 s LEU 147 Cb 0.43 -1.48 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1pd1 s LEU 147 CO -0.13 0.11 1.19 -2.84 0.02 0.00 0.00 176.35 174.70 1pd1 s PRO 148 N 0.67 2.85 0.55 1.29 0.02 -1.26 -5.11 135.00 134.00 1pd1 s PRO 148 Ca -0.10 1.76 -0.21 0.00 0.02 0.00 0.00 61.00 62.47 1pd1 s PRO 148 Cb -0.16 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1pd1 s PRO 148 CO 0.02 -1.29 1.31 -2.30 -0.33 0.00 0.00 177.00 174.40 1pd1 n PRO 149 N -1.83 1.58 -1.91 5.54 -0.02 -0.75 -4.87 135.00 132.73 1pd1 n PRO 149 Ca 0.13 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1pd1 n PRO 149 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1pd1 n PRO 149 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pd1 n PRO 150 N -1.00 3.00 0.00 0.52 -0.02 -1.26 -4.80 135.00 131.45 1pd1 n PRO 150 Ca 0.11 -2.82 0.00 0.00 -2.02 0.00 0.00 63.50 58.77 1pd1 n PRO 150 Cb 0.45 -3.25 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 1pd1 n PRO 150 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1pd1 n ILE 151 N 4.93 1.34 0.31 4.25 -5.35 -1.26 -1.26 119.36 122.32 1pd1 n ILE 151 Ca 0.50 0.36 0.16 0.00 -0.27 0.00 0.00 62.75 63.50 1pd1 n ILE 151 Cb 0.39 -1.36 0.71 0.00 -1.74 0.00 0.00 39.64 37.64 1pd1 n ILE 151 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1pd1 h THR 152 N 0.00 0.00 0.00 7.28 1.35 -1.92 -2.06 112.91 117.56 1pd1 h THR 152 Ca 0.00 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1pd1 h THR 152 Cb 0.05 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1pd1 h THR 152 CO 0.00 0.00 -0.04 0.44 -0.25 0.00 0.00 175.52 175.67 1pd1 h ASP 153 N 0.00 0.00 0.43 5.36 5.19 -1.60 -1.98 116.42 123.83 1pd1 h ASP 153 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pd1 h ASP 153 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1pd1 h ASP 153 CO 0.00 0.04 0.00 -0.07 -3.12 0.00 0.00 179.24 176.09 1pd1 h LEU 154 N 0.00 0.00 -2.47 1.55 3.38 -1.61 -1.98 115.31 114.18 1pd1 h LEU 154 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pd1 h LEU 154 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pd1 h LEU 154 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1pd1 n THR 155 N -2.42 0.69 -2.98 0.22 -2.24 -0.74 -4.98 114.28 101.82 1pd1 n THR 155 Ca 0.00 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.62 1pd1 n THR 155 Cb 0.15 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 1pd1 n THR 155 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pd1 s LEU 156 N -1.15 3.94 0.61 3.22 1.43 -0.75 -5.07 118.68 120.91 1pd1 s LEU 156 Ca 0.32 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 1pd1 s LEU 156 Cb 0.18 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 1pd1 s LEU 156 CO 0.25 -0.31 1.05 -2.84 0.23 0.00 0.00 176.35 174.73 1pd1 s PRO 157 N -3.41 3.28 1.19 1.29 0.02 -1.26 -5.03 135.00 131.07 1pd1 s PRO 157 Ca 0.53 1.14 -0.16 0.00 0.02 0.00 0.00 61.00 62.54 1pd1 s PRO 157 Cb -0.10 -2.03 0.28 0.00 0.02 0.00 0.00 34.50 32.67 1pd1 s PRO 157 CO 0.24 -0.84 1.04 -1.25 -0.33 0.00 0.00 177.00 175.86 1pd1 s PRO 158 N -4.26 -1.09 0.52 5.54 0.04 -1.26 -4.93 135.00 129.56 1pd1 s PRO 158 Ca 0.62 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.89 1pd1 s PRO 158 Cb -0.15 -1.56 -0.06 0.00 0.04 0.00 0.00 34.50 32.76 1pd1 s PRO 158 CO 0.40 -3.74 1.39 -2.30 0.04 0.00 0.00 177.00 172.79 1pd1 n PRO 159 N -4.87 1.87 -1.78 0.56 -0.02 -1.26 -4.92 135.00 124.58 1pd1 n PRO 159 Ca 0.07 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 1pd1 n PRO 159 Cb 0.57 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1pd1 n PRO 159 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pd1 s PRO 160 N -2.75 3.15 -0.72 0.52 0.02 -1.26 -4.93 135.00 129.02 1pd1 s PRO 160 Ca 0.68 2.24 -0.20 0.00 0.02 0.00 0.00 61.00 63.74 1pd1 s PRO 160 Cb -0.43 -2.26 0.10 0.00 0.02 0.00 0.00 34.50 31.93 1pd1 s PRO 160 CO 0.52 -1.18 0.93 -0.51 -0.33 0.00 0.00 177.00 176.43 1pd1 s LEU 161 N -3.51 4.91 -0.68 -5.54 1.43 -1.26 -4.90 118.68 109.13 1pd1 s LEU 161 Ca 0.71 -1.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.11 1pd1 s LEU 161 Cb -0.40 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1pd1 s LEU 161 CO 0.48 -1.23 1.83 -0.69 0.23 0.00 0.00 176.35 176.97 1pd1 s VAL 162 N 3.20 3.41 -0.17 -1.59 1.01 -1.26 -4.94 120.40 120.05 1pd1 s VAL 162 Ca 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1pd1 s VAL 162 Cb -0.15 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1pd1 s VAL 162 CO 0.03 -1.00 -0.04 -0.63 0.00 0.00 0.00 175.10 173.46 1pd1 s ILE 163 N 8.96 1.04 0.63 2.22 -1.09 -1.26 -4.53 121.20 127.17 1pd1 s ILE 163 Ca 0.65 -0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 58.25 1pd1 s ILE 163 Cb -0.11 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1pd1 s ILE 163 CO 0.16 0.08 1.25 -2.16 -1.23 0.00 0.00 174.94 173.04 1pd1 s PRO 164 N 1.65 2.71 0.51 2.79 0.04 -1.26 -4.89 135.00 136.55 1pd1 s PRO 164 Ca 0.00 1.95 0.24 0.00 0.04 0.00 0.00 61.00 63.23 1pd1 s PRO 164 Cb -0.16 -1.88 1.33 0.00 0.04 0.00 0.00 34.50 33.83 1pd1 s PRO 164 CO -0.07 -1.45 1.97 -1.35 0.04 0.00 0.00 177.00 176.13 1pd1 h PRO 165 N 0.65 0.09 -0.10 0.56 0.11 -2.00 -2.40 132.00 128.91 1pd1 h PRO 165 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1pd1 h PRO 165 Cb 1.32 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1pd1 h PRO 165 CO 0.54 0.06 -0.09 0.93 -0.21 0.00 0.00 178.00 179.23 1pd1 h GLU 166 N 0.10 0.16 0.00 1.05 3.07 -2.01 -2.23 114.58 114.71 1pd1 h GLU 166 Ca 0.30 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1pd1 h GLU 166 Cb 1.06 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1pd1 h GLU 166 CO -0.03 0.26 0.00 0.54 -1.40 0.00 0.00 179.01 178.38 1pd1 n ARG 167 N -4.34 0.43 -4.95 2.33 5.12 -0.90 -4.70 116.66 109.65 1pd1 n ARG 167 Ca -0.01 0.06 -0.33 0.00 -1.93 0.00 0.00 57.85 55.64 1pd1 n ARG 167 Cb 0.22 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 29.87 1pd1 n ARG 167 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1pd1 s MET 168 N -2.41 3.06 0.17 5.56 -1.94 -0.84 -4.32 119.30 118.58 1pd1 s MET 168 Ca 0.25 -0.75 -0.14 0.00 -1.71 0.00 0.00 55.69 53.33 1pd1 s MET 168 Cb 0.15 -2.46 0.12 0.00 2.01 0.00 0.00 34.83 34.65 1pd1 s MET 168 CO 0.32 0.30 1.75 -0.07 -0.01 0.00 0.00 175.02 177.31 1pd1 h LEU 169 N 6.38 0.15 -6.77 -0.03 3.38 -1.30 -3.35 115.31 113.78 1pd1 h LEU 169 Ca -0.29 0.05 -0.60 0.00 0.09 0.00 0.00 57.88 57.14 1pd1 h LEU 169 Cb 1.20 0.04 -0.39 0.00 0.09 0.00 0.00 40.66 41.60 1pd1 h LEU 169 CO 0.52 0.12 -0.80 -0.69 0.09 0.00 0.00 178.44 177.68 1pd1 s VAL 170 N -6.15 0.80 0.05 1.22 1.01 -1.26 -5.09 120.40 110.98 1pd1 s VAL 170 Ca -0.13 -2.22 -0.35 0.00 0.00 0.00 0.00 61.98 59.28 1pd1 s VAL 170 Cb 0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 36.38 34.81 1pd1 s VAL 170 CO 0.72 -0.96 1.63 -2.65 0.00 0.00 0.00 175.10 173.84 1pd1 n PRO 171 N 3.68 1.90 -3.89 2.72 -0.02 -1.26 -4.72 135.00 133.42 1pd1 n PRO 171 Ca 0.12 0.69 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1pd1 n PRO 171 Cb 0.37 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1pd1 n PRO 171 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pd1 s SER 172 N 1.88 -0.00 0.20 2.55 1.04 -1.26 -4.99 113.70 113.13 1pd1 s SER 172 Ca 0.85 -0.59 0.26 0.00 0.48 0.00 0.00 55.95 56.95 1pd1 s SER 172 Cb -0.76 0.44 0.84 0.00 0.10 0.00 0.00 66.02 66.64 1pd1 s SER 172 CO 0.45 -0.88 1.78 -0.62 0.98 0.00 0.00 173.24 174.95 1pd1 n GLU 173 N -0.72 0.25 0.00 4.02 1.02 -1.26 -2.70 120.64 121.24 1pd1 n GLU 173 Ca -0.02 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1pd1 n GLU 173 Cb 0.59 -1.80 0.22 0.00 -0.02 0.00 0.00 31.44 30.43 1pd1 n GLU 173 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pd1 n LEU 174 N -2.23 0.79 0.25 -4.62 4.77 -1.26 -4.21 117.00 110.49 1pd1 n LEU 174 Ca 0.05 -0.18 0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1pd1 n LEU 174 Cb 0.41 -0.17 0.66 0.00 -2.33 0.00 0.00 43.42 41.99 1pd1 n LEU 174 CO 0.29 0.17 0.93 -1.28 -1.33 0.00 0.00 177.39 176.18 1pd1 h SER 175 N 0.44 0.00 -4.34 -1.43 0.87 -1.64 -1.81 113.55 105.64 1pd1 h SER 175 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 1pd1 h SER 175 Cb 0.52 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.21 1pd1 h SER 175 CO 0.00 0.15 -0.86 0.21 -0.53 0.00 0.00 176.83 175.80 1pd1 s ASN 176 N -6.17 3.30 0.14 6.23 3.84 -1.26 -3.90 114.94 117.12 1pd1 s ASN 176 Ca -0.02 -0.49 -0.34 0.00 0.21 0.00 0.00 52.86 52.22 1pd1 s ASN 176 Cb 0.12 -0.41 -0.16 0.00 -0.55 0.00 0.00 41.25 40.26 1pd1 s ASN 176 CO 0.60 0.29 1.32 0.00 -2.79 0.00 0.00 177.10 176.51 1pd1 n ALA 177 N 2.03 -0.41 -1.77 1.71 0.00 -1.04 -4.77 120.51 116.25 1pd1 n ALA 177 Ca -0.16 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 1pd1 n ALA 177 Cb 0.52 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 1pd1 n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pd1 s SER 178 N 0.35 6.20 0.60 0.00 0.15 -1.26 -4.89 113.70 114.85 1pd1 s SER 178 Ca 0.78 1.93 0.37 0.00 0.70 0.00 0.00 55.95 59.74 1pd1 s SER 178 Cb -0.85 -2.56 1.87 0.00 -1.71 0.00 0.00 66.02 62.77 1pd1 s SER 178 CO 0.48 -0.88 2.18 -0.65 1.20 0.00 0.00 173.24 175.57 1pd1 h PRO 179 N 1.35 0.00 0.00 5.44 0.11 -1.93 -1.58 132.00 135.38 1pd1 h PRO 179 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1pd1 h PRO 179 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1pd1 h PRO 179 CO 0.59 0.02 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.59 1pd1 h ASP 180 N 0.00 0.00 0.02 -2.05 3.32 -1.97 -3.29 116.42 112.46 1pd1 h ASP 180 Ca -0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1pd1 h ASP 180 Cb 0.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1pd1 h ASP 180 CO 0.00 0.37 -2.38 -1.22 -1.72 0.00 0.00 179.24 174.30 1pd1 n TYR 181 N -3.91 0.25 -3.74 4.55 4.02 -0.83 -4.64 117.16 112.87 1pd1 n TYR 181 Ca -0.01 0.06 -0.12 0.00 -0.01 0.00 0.00 57.90 57.81 1pd1 n TYR 181 Cb 0.43 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 38.61 1pd1 n TYR 181 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1pd1 s ILE 182 N -2.52 -0.01 -0.14 -0.72 2.07 -0.66 -1.15 121.20 118.07 1pd1 s ILE 182 Ca -0.33 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1pd1 s ILE 182 Cb 0.09 -0.50 0.04 0.00 0.13 0.00 0.00 42.46 42.22 1pd1 s ILE 182 CO 0.62 0.02 0.01 -0.13 -1.91 0.00 0.00 174.94 173.55 1pd1 s ARG 183 N 0.65 0.74 0.29 3.50 0.52 -0.74 -3.98 118.95 119.93 1pd1 s ARG 183 Ca -0.04 -0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 1pd1 s ARG 183 Cb -0.05 -1.66 -0.09 0.00 0.52 0.00 0.00 34.95 33.67 1pd1 s ARG 183 CO -0.04 -0.48 0.85 0.45 0.02 0.00 0.00 175.30 176.09 1pd1 s SER 184 N 1.87 7.16 0.49 0.23 0.15 -1.26 -1.38 113.70 120.97 1pd1 s SER 184 Ca 0.02 1.63 0.21 0.00 0.70 0.00 0.00 55.95 58.51 1pd1 s SER 184 Cb -0.15 -2.50 1.26 0.00 -1.71 0.00 0.00 66.02 62.92 1pd1 s SER 184 CO -0.07 -0.06 2.05 0.71 1.20 0.00 0.00 173.24 177.07 1pd1 h THR 185 N 2.57 0.84 -3.50 6.45 1.35 -1.52 -3.40 112.91 115.71 1pd1 h THR 185 Ca -0.47 -0.53 -0.59 0.00 -0.55 0.00 0.00 66.41 64.26 1pd1 h THR 185 Cb 1.19 1.31 -0.38 0.00 -1.73 0.00 0.00 68.15 68.54 1pd1 h THR 185 CO 0.65 0.14 -0.79 -0.76 -0.25 0.00 0.00 175.52 174.50 1pd1 s LEU 186 N -7.99 2.21 -0.05 3.87 1.43 -1.26 -0.26 118.68 116.63 1pd1 s LEU 186 Ca -0.04 -0.97 0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1pd1 s LEU 186 Cb 0.15 -1.10 0.45 0.00 0.03 0.00 0.00 46.19 45.71 1pd1 s LEU 186 CO 0.64 -0.21 1.33 0.59 0.23 0.00 0.00 176.35 178.93 1pd1 n ASN 187 N 4.74 3.03 -3.35 2.29 3.02 -1.06 -4.25 115.26 119.68 1pd1 n ASN 187 Ca -0.12 -2.21 -0.20 0.00 -0.03 0.00 0.00 54.58 52.02 1pd1 n ASN 187 Cb 0.46 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1pd1 n ASN 187 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pd1 s ALA 188 N -1.63 -0.05 0.08 5.41 0.00 -1.26 -4.11 121.76 120.19 1pd1 s ALA 188 Ca 0.32 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1pd1 s ALA 188 Cb 0.20 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 21.29 1pd1 s ALA 188 CO 0.17 -2.13 1.34 0.08 0.00 0.00 0.00 175.76 175.23 1pd1 s VAL 189 N 1.15 3.57 0.26 0.00 1.01 0.09 -4.55 120.40 121.93 1pd1 s VAL 189 Ca 0.20 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 1pd1 s VAL 189 Cb -0.14 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 1pd1 s VAL 189 CO -0.04 0.07 1.30 -2.65 0.00 0.00 0.00 175.10 173.78 1pd1 n PRO 190 N 4.21 1.85 0.01 2.72 -0.02 -1.26 -1.69 135.00 140.82 1pd1 n PRO 190 Ca 0.11 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.34 1pd1 n PRO 190 Cb 0.44 -2.24 0.42 0.00 -0.02 0.00 0.00 33.50 32.10 1pd1 n PRO 190 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pd1 n LYS 191 N 1.50 0.02 -3.69 -0.52 4.81 0.10 -4.76 118.16 115.63 1pd1 n LYS 191 Ca 0.10 0.19 -0.09 0.00 -0.87 0.00 0.00 58.31 57.64 1pd1 n LYS 191 Cb 0.32 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 33.80 1pd1 n LYS 191 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pd1 s ASN 192 N -3.13 -0.35 0.11 3.14 2.20 -1.26 -1.11 114.94 114.53 1pd1 s ASN 192 Ca 0.09 -0.38 -0.28 0.00 -0.94 0.00 0.00 52.86 51.34 1pd1 s ASN 192 Cb 0.12 0.64 -0.09 0.00 -2.00 0.00 0.00 41.25 39.93 1pd1 s ASN 192 CO 0.36 -1.13 1.62 0.28 -2.94 0.00 0.00 177.10 175.29 1pd1 h SER 193 N 2.07 -0.92 -0.52 3.54 0.02 -1.84 -2.08 113.55 113.82 1pd1 h SER 193 Ca -0.27 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 60.92 1pd1 h SER 193 Cb 1.27 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 1pd1 h SER 193 CO 0.33 -0.41 0.37 0.77 -1.14 0.00 0.00 176.83 176.75 1pd1 h SER 194 N -0.55 0.06 0.16 3.07 4.64 -1.96 0.20 113.55 119.18 1pd1 h SER 194 Ca 0.03 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 1pd1 h SER 194 Cb 0.58 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1pd1 h SER 194 CO -0.18 0.04 -1.11 0.25 -0.87 0.00 0.00 176.83 174.96 1pd1 h LEU 195 N 0.07 0.79 -0.22 5.97 5.85 -1.88 -1.97 115.31 123.93 1pd1 h LEU 195 Ca 0.25 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1pd1 h LEU 195 Cb 0.90 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1pd1 h LEU 195 CO -0.02 1.48 0.11 0.25 -0.34 0.00 0.00 178.44 179.92 1pd1 h LEU 196 N 0.30 0.29 -0.78 2.25 5.85 -0.45 -1.60 115.31 121.17 1pd1 h LEU 196 Ca -0.14 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1pd1 h LEU 196 Cb 1.77 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 1pd1 h LEU 196 CO 0.21 0.33 0.38 0.50 -0.34 0.00 0.00 178.44 179.52 1pd1 h LYS 197 N 0.22 1.13 -0.65 1.25 3.64 -1.08 -2.90 116.57 118.18 1pd1 h LYS 197 Ca 0.08 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1pd1 h LYS 197 Cb 0.12 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1pd1 h LYS 197 CO -0.01 0.87 0.12 -0.22 -2.27 0.00 0.00 179.45 177.94 1pd1 h LYS 198 N 1.11 1.07 -0.17 1.90 3.64 -1.08 -2.76 116.57 120.27 1pd1 h LYS 198 Ca 0.27 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1pd1 h LYS 198 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1pd1 h LYS 198 CO -0.04 0.98 0.11 0.66 -2.27 0.00 0.00 179.45 178.90 1pd1 h SER 199 N 0.98 0.14 0.00 4.20 4.64 -1.10 -3.46 113.55 118.96 1pd1 h SER 199 Ca 0.20 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pd1 h SER 199 Cb 0.42 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1pd1 h SER 199 CO 0.01 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1pd1 n LYS 200 N -4.51 -0.74 -3.40 4.77 4.76 -1.04 -4.89 118.16 113.11 1pd1 n LYS 200 Ca 0.00 0.18 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 1pd1 n LYS 200 Cb 0.13 -3.84 -0.06 0.00 -1.84 0.00 0.00 35.03 29.42 1pd1 n LYS 200 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pd1 s LEU 201 N 0.00 4.34 0.49 -0.35 1.43 -1.26 -4.78 118.68 118.56 1pd1 s LEU 201 Ca 0.00 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 1pd1 s LEU 201 Cb 0.00 -3.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 1pd1 s LEU 201 CO 0.00 0.12 0.90 -2.16 0.23 0.00 0.00 176.35 175.43 1pd1 s PRO 202 N -1.95 3.77 -0.34 1.29 0.04 -1.26 -4.91 135.00 131.64 1pd1 s PRO 202 Ca 0.37 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1pd1 s PRO 202 Cb -0.15 -2.24 0.08 0.00 0.04 0.00 0.00 34.50 32.23 1pd1 s PRO 202 CO 0.19 -0.24 0.05 0.12 0.04 0.00 0.00 177.00 177.16 1pd1 s PHE 203 N -2.66 3.50 0.21 0.56 5.36 -1.26 -4.58 117.98 119.12 1pd1 s PHE 203 Ca 0.54 -2.43 -0.06 0.00 -0.96 0.00 0.00 56.93 54.02 1pd1 s PHE 203 Cb -0.10 -2.63 -0.02 0.00 -0.34 0.00 0.00 43.02 39.92 1pd1 s PHE 203 CO 0.37 -0.91 0.28 0.20 -1.46 0.00 0.00 175.22 173.71 1pd1 s GLY 204 N 1.29 0.98 -0.09 13.12 0.00 -1.26 -0.25 107.32 121.10 1pd1 s GLY 204 Ca 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1pd1 s GLY 204 CO -0.05 -1.04 -0.12 1.08 0.00 0.00 0.00 173.10 172.98 1pd1 s LEU 205 N -3.08 1.54 -0.51 0.66 1.43 0.17 -1.39 118.68 117.51 1pd1 s LEU 205 Ca 0.30 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1pd1 s LEU 205 Cb 0.04 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1pd1 s LEU 205 CO 0.09 -0.01 0.71 -0.69 0.23 0.00 0.00 176.35 176.67 1pd1 s VAL 206 N 1.04 4.75 -0.14 -1.59 1.01 -0.48 -1.49 120.40 123.50 1pd1 s VAL 206 Ca -0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1pd1 s VAL 206 Cb -0.15 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1pd1 s VAL 206 CO -0.01 -0.85 0.04 -0.63 0.00 0.00 0.00 175.10 173.65 1pd1 s ILE 207 N 2.98 4.62 -0.35 2.22 1.01 0.26 -1.79 121.20 130.14 1pd1 s ILE 207 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1pd1 s ILE 207 Cb -0.17 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.42 1pd1 s ILE 207 CO 0.15 0.53 0.30 -0.60 0.00 0.00 0.00 174.94 175.32 1pd1 s ARG 208 N -0.20 0.55 0.26 2.79 3.52 -0.30 -0.85 118.95 124.71 1pd1 s ARG 208 Ca 0.07 -0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1pd1 s ARG 208 Cb -0.12 -0.92 0.52 0.00 -1.56 0.00 0.00 34.95 32.87 1pd1 s ARG 208 CO 0.02 -1.17 1.74 -1.35 -0.81 0.00 0.00 175.30 173.72 1pd1 h PRO 209 N 7.26 0.50 -6.82 5.12 0.11 -1.90 -3.40 132.00 132.87 1pd1 h PRO 209 Ca 0.02 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.41 1pd1 h PRO 209 Cb 1.03 -0.11 -0.22 0.00 0.11 0.00 0.00 31.00 31.80 1pd1 h PRO 209 CO 0.25 0.33 -0.86 0.71 -0.21 0.00 0.00 178.00 178.22 1pd1 s TYR 210 N -5.99 2.37 -0.49 0.65 1.51 -1.26 -5.04 117.35 109.10 1pd1 s TYR 210 Ca -0.12 -0.36 0.14 0.00 -1.01 0.00 0.00 57.07 55.73 1pd1 s TYR 210 Cb 0.21 -1.31 -0.18 0.00 -0.11 0.00 0.00 41.96 40.58 1pd1 s TYR 210 CO 0.77 0.30 0.53 1.04 -1.11 0.00 0.00 175.55 177.08 1pd1 n GLN 211 N 1.10 1.75 -3.98 -0.62 1.13 -1.26 -4.90 117.38 110.59 1pd1 n GLN 211 Ca -0.17 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 54.77 1pd1 n GLN 211 Cb 0.53 -1.23 -0.09 0.00 0.11 0.00 0.00 30.24 29.56 1pd1 n GLN 211 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1pd1 s HIS 212 N -2.54 0.34 0.43 1.08 3.76 -1.26 -4.60 115.29 112.49 1pd1 s HIS 212 Ca 0.02 -0.80 0.34 0.00 -0.15 0.00 0.00 55.06 54.47 1pd1 s HIS 212 Cb 0.10 -0.24 1.73 0.00 1.11 0.00 0.00 32.58 35.29 1pd1 s HIS 212 CO 0.60 -0.43 2.15 -0.07 -0.85 0.00 0.00 174.74 176.14 1pd1 h LEU 213 N 3.14 0.00 -8.08 0.89 3.38 -0.37 -3.41 115.31 110.87 1pd1 h LEU 213 Ca -0.34 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.00 1pd1 h LEU 213 Cb 1.17 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.57 1pd1 h LEU 213 CO 0.60 0.05 -0.85 -0.31 0.09 0.00 0.00 178.44 178.02 1pd1 s TYR 214 N -4.10 2.40 -1.13 1.13 1.51 -1.26 -1.50 117.35 114.40 1pd1 s TYR 214 Ca -0.03 -1.24 0.05 0.00 -1.01 0.00 0.00 57.07 54.84 1pd1 s TYR 214 Cb 0.12 -1.68 0.21 0.00 -0.11 0.00 0.00 41.96 40.50 1pd1 s TYR 214 CO 0.53 -0.61 1.10 -0.25 -1.11 0.00 0.00 175.55 175.21 1pd1 n ASP 215 N 4.28 0.00 0.10 2.29 9.92 -1.26 -1.85 116.55 130.02 1pd1 n ASP 215 Ca -0.19 0.41 0.13 0.00 -0.53 0.00 0.00 54.79 54.61 1pd1 n ASP 215 Cb 0.51 -0.43 0.39 0.00 -0.64 0.00 0.00 41.12 40.95 1pd1 n ASP 215 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pd1 n ASP 216 N -1.43 0.79 -4.62 -2.24 5.75 -1.26 -4.29 116.55 109.25 1pd1 n ASP 216 Ca 0.01 0.53 -0.41 0.00 -0.01 0.00 0.00 54.79 54.92 1pd1 n ASP 216 Cb 0.05 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.37 1pd1 n ASP 216 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pd1 s ILE 217 N -3.10 4.92 -1.59 2.12 1.01 -0.77 -4.51 121.20 119.28 1pd1 s ILE 217 Ca 0.10 1.13 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 1pd1 s ILE 217 Cb 0.13 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1pd1 s ILE 217 CO 0.61 -0.07 0.63 -0.67 0.00 0.00 0.00 174.94 175.43 1pd1 n ASP 218 N 5.88 -2.12 -4.74 3.58 -0.08 -1.26 -4.82 116.55 112.98 1pd1 n ASP 218 Ca 0.01 -1.01 -0.35 0.00 -1.51 0.00 0.00 54.79 51.92 1pd1 n ASP 218 Cb 0.49 -2.86 0.06 0.00 2.34 0.00 0.00 41.12 41.15 1pd1 n ASP 218 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1pd1 s PRO 219 N -6.81 2.62 0.75 -0.67 0.02 -1.26 -5.02 135.00 124.63 1pd1 s PRO 219 Ca 0.44 1.79 -0.12 0.00 0.02 0.00 0.00 61.00 63.14 1pd1 s PRO 219 Cb -0.24 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.43 1pd1 s PRO 219 CO 0.91 -1.47 1.11 -2.14 -0.33 0.00 0.00 177.00 175.08 1pd1 s PRO 220 N -3.60 2.49 0.51 5.54 0.02 -1.26 -4.97 135.00 133.73 1pd1 s PRO 220 Ca 0.76 0.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.02 1pd1 s PRO 220 Cb -0.30 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 1pd1 s PRO 220 CO 0.39 -1.29 1.00 -2.30 -0.33 0.00 0.00 177.00 174.47 1pd1 n PRO 221 N -3.18 1.19 -4.05 5.54 -0.02 -1.26 -4.76 135.00 128.47 1pd1 n PRO 221 Ca 0.07 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1pd1 n PRO 221 Cb 0.57 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 1pd1 n PRO 221 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pd1 s LEU 222 N -1.29 1.85 0.32 2.45 2.96 -1.26 -1.45 118.68 122.27 1pd1 s LEU 222 Ca 0.69 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.78 1pd1 s LEU 222 Cb -0.48 -1.27 -0.10 0.00 0.50 0.00 0.00 46.19 44.84 1pd1 s LEU 222 CO 0.53 -0.05 0.95 0.20 -1.32 0.00 0.00 176.35 176.66 1pd1 s ASN 223 N 1.42 7.33 0.00 3.68 -0.87 0.33 -4.98 114.94 121.85 1pd1 s ASN 223 Ca 0.05 1.85 0.00 0.00 -1.57 0.00 0.00 52.86 53.19 1pd1 s ASN 223 Cb -0.13 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 1pd1 s ASN 223 CO -0.11 -0.07 0.00 -0.62 -2.57 0.00 0.00 177.10 173.72 1pd1 n GLU 224 N 0.58 3.49 0.01 -0.60 1.02 -1.26 -1.86 120.64 122.02 1pd1 n GLU 224 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1pd1 n GLU 224 Cb 0.50 -0.52 0.20 0.00 -0.02 0.00 0.00 31.44 31.60 1pd1 n GLU 224 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1pd1 n ASP 225 N -0.45 0.03 0.00 1.62 5.68 -1.26 -4.86 116.55 117.30 1pd1 n ASP 225 Ca 0.00 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1pd1 n ASP 225 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1pd1 n ASP 225 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pd1 n GLY 226 N -0.58 1.86 3.63 6.12 0.00 -1.26 -5.02 105.19 109.95 1pd1 n GLY 226 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1pd1 n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pd1 s LEU 227 N 0.00 3.88 -0.39 0.99 2.96 -1.26 -4.78 118.68 120.08 1pd1 s LEU 227 Ca 0.00 1.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 1pd1 s LEU 227 Cb 0.00 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.26 1pd1 s LEU 227 CO 0.00 -1.12 0.11 -0.63 -1.32 0.00 0.00 176.35 173.40 1pd1 s ILE 228 N 4.53 2.46 -0.24 6.68 -1.09 -1.26 -5.07 121.20 127.21 1pd1 s ILE 228 Ca 0.59 -2.54 -0.25 0.00 -2.23 0.00 0.00 60.65 56.22 1pd1 s ILE 228 Cb -0.18 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1pd1 s ILE 228 CO 0.24 -0.65 0.86 -0.69 -1.23 0.00 0.00 174.94 173.47 1pd1 s VAL 229 N 0.65 4.81 0.05 2.92 1.01 -1.26 -5.03 120.40 123.56 1pd1 s VAL 229 Ca 0.12 1.64 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1pd1 s VAL 229 Cb -0.21 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1pd1 s VAL 229 CO -0.06 -0.09 -0.11 -0.13 0.00 0.00 0.00 175.10 174.71 1pd1 s ARG 230 N 2.89 0.68 0.08 2.72 0.52 -1.26 -1.18 118.95 123.41 1pd1 s ARG 230 Ca 0.36 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.42 1pd1 s ARG 230 Cb -0.15 -0.58 -0.06 0.00 0.52 0.00 0.00 34.95 34.67 1pd1 s ARG 230 CO 0.07 0.12 1.29 0.00 0.02 0.00 0.00 175.30 176.80 1pd1 h ARG 232 N 6.88 0.75 0.00 0.00 3.08 -1.94 -1.38 114.38 121.77 1pd1 h ARG 232 Ca -0.41 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 1pd1 h ARG 232 Cb 1.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1pd1 h ARG 232 CO 0.84 0.50 -0.59 -0.09 -1.07 0.00 0.00 179.97 179.56 1pd1 h ARG 233 N 0.77 0.00 0.00 0.04 2.43 -1.99 -3.41 114.38 112.23 1pd1 h ARG 233 Ca 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1pd1 h ARG 233 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1pd1 h ARG 233 CO -0.34 0.47 -0.80 0.00 -1.51 0.00 0.00 179.97 177.80 1pd1 n ARG 235 N -2.01 -0.49 -1.16 0.00 5.12 -0.52 -5.01 116.66 112.59 1pd1 n ARG 235 Ca 0.03 0.18 -0.32 0.00 -1.93 0.00 0.00 57.85 55.81 1pd1 n ARG 235 Cb 0.43 -3.59 0.11 0.00 -1.16 0.00 0.00 32.46 28.25 1pd1 n ARG 235 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1pd1 s SER 236 N -2.09 3.97 0.04 0.55 0.01 -1.26 -4.61 113.70 110.31 1pd1 s SER 236 Ca 0.00 2.08 -0.05 0.00 1.31 0.00 0.00 55.95 59.29 1pd1 s SER 236 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1pd1 s SER 236 CO 0.00 -2.40 0.28 -0.31 0.41 0.00 0.00 173.24 171.21 1pd1 s TYR 237 N -2.56 3.55 0.22 2.43 1.51 -1.26 -1.69 117.35 119.55 1pd1 s TYR 237 Ca 0.66 0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 56.93 1pd1 s TYR 237 Cb -0.22 -1.95 -0.16 0.00 -0.11 0.00 0.00 41.96 39.53 1pd1 s TYR 237 CO 0.53 0.58 0.93 -0.12 -1.11 0.00 0.00 175.55 176.35 1pd1 n MET 238 N 0.78 0.88 -3.94 -0.62 0.00 -0.32 -4.95 117.12 108.94 1pd1 n MET 238 Ca -0.08 0.31 -0.09 0.00 -0.00 0.00 0.00 57.70 57.84 1pd1 n MET 238 Cb 0.52 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 1pd1 n MET 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1pd1 s ASN 239 N -0.48 -0.06 0.29 6.12 2.20 -1.24 -4.80 114.94 116.96 1pd1 s ASN 239 Ca 0.66 -0.89 0.14 0.00 -0.94 0.00 0.00 52.86 51.83 1pd1 s ASN 239 Cb -0.83 0.66 0.76 0.00 -2.00 0.00 0.00 41.25 39.84 1pd1 s ASN 239 CO 0.57 -1.27 1.34 -2.65 -2.94 0.00 0.00 177.10 172.15 1pd1 n PRO 240 N -0.43 0.09 -0.05 3.55 -0.02 -1.23 -2.49 135.00 134.42 1pd1 n PRO 240 Ca -0.03 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1pd1 n PRO 240 Cb 0.61 -2.02 0.10 0.00 -0.02 0.00 0.00 33.50 32.16 1pd1 n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pd1 n PHE 241 N -2.04 0.13 -1.33 6.00 3.01 -1.26 -0.93 117.46 121.04 1pd1 n PHE 241 Ca -0.01 -0.10 -0.31 0.00 1.01 0.00 0.00 57.45 58.04 1pd1 n PHE 241 Cb 0.24 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1pd1 n PHE 241 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1pd1 s VAL 242 N -1.28 3.44 -0.17 -4.37 -7.23 -1.04 -4.63 120.40 105.13 1pd1 s VAL 242 Ca 0.22 0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 60.85 1pd1 s VAL 242 Cb 0.14 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1pd1 s VAL 242 CO 0.21 -0.61 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.39 1pd1 s THR 243 N -2.91 2.98 -0.05 5.32 2.01 -1.10 -4.78 115.64 117.12 1pd1 s THR 243 Ca 0.61 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.67 1pd1 s THR 243 Cb -0.17 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1pd1 s THR 243 CO 0.55 0.49 0.91 -0.36 -0.69 0.00 0.00 174.62 175.52 1pd1 s PHE 244 N 0.92 3.59 0.26 4.92 2.99 -1.26 -0.78 117.98 128.62 1pd1 s PHE 244 Ca -0.02 1.54 0.10 0.00 0.00 0.00 0.00 56.93 58.54 1pd1 s PHE 244 Cb -0.15 -3.05 -0.05 0.00 0.00 0.00 0.00 43.02 39.77 1pd1 s PHE 244 CO -0.01 -0.05 -0.16 0.96 -0.00 0.00 0.00 175.22 175.96 1pd1 s ILE 245 N 1.26 2.14 -0.56 0.64 -4.36 0.56 -4.72 121.20 116.17 1pd1 s ILE 245 Ca 0.47 -2.30 -0.16 0.00 -0.26 0.00 0.00 60.65 58.40 1pd1 s ILE 245 Cb -0.19 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.27 1pd1 s ILE 245 CO 0.22 -0.43 0.64 -0.62 0.24 0.00 0.00 174.94 174.99 1pd1 n GLU 246 N -0.56 -1.92 -0.77 0.37 1.02 -1.26 -2.00 120.64 115.51 1pd1 n GLU 246 Ca -0.06 1.63 0.00 0.00 -0.02 0.00 0.00 57.16 58.71 1pd1 n GLU 246 Cb 0.61 -4.36 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 1pd1 n GLU 246 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pd1 n GLN 247 N -0.92 -1.37 -1.57 3.49 1.13 -1.26 -0.78 117.38 116.11 1pd1 n GLN 247 Ca -0.02 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1pd1 n GLN 247 Cb 0.56 -4.60 0.00 0.00 0.11 0.00 0.00 30.24 26.30 1pd1 n GLN 247 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pd1 n GLY 248 N 0.07 0.64 0.09 1.08 0.00 -0.85 -4.94 105.19 101.28 1pd1 n GLY 248 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1pd1 n GLY 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pd1 n ARG 249 N -1.19 0.62 -4.27 1.61 1.74 0.04 -4.89 116.66 110.32 1pd1 n ARG 249 Ca 0.00 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 1pd1 n ARG 249 Cb 0.37 -1.77 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1pd1 n ARG 249 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pd1 s ARG 250 N -3.09 1.24 -0.02 5.56 0.52 -0.91 -1.05 118.95 121.20 1pd1 s ARG 250 Ca -0.03 -1.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.57 1pd1 s ARG 250 Cb 0.09 -0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.30 1pd1 s ARG 250 CO 0.82 -0.20 -0.07 1.67 0.02 0.00 0.00 175.30 177.54 1pd1 s TRP 251 N -3.70 0.75 -0.24 -0.53 1.48 0.14 -0.32 118.94 116.52 1pd1 s TRP 251 Ca 0.30 -0.17 -0.18 0.00 -1.06 0.00 0.00 56.10 54.98 1pd1 s TRP 251 Cb 0.07 -0.55 -0.03 0.00 -1.16 0.00 0.00 33.47 31.80 1pd1 s TRP 251 CO 0.08 -0.08 0.53 0.50 -4.06 0.00 0.00 176.95 173.92 1pd1 s ARG 252 N 0.23 4.12 0.12 3.25 3.52 0.04 -0.08 118.95 130.15 1pd1 s ARG 252 Ca -0.03 0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.65 1pd1 s ARG 252 Cb -0.08 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.60 1pd1 s ARG 252 CO 0.00 -0.29 1.62 0.00 -0.81 0.00 0.00 175.30 175.82 1pd1 h ASN 254 N 7.52 0.00 0.16 0.00 -1.07 -1.91 0.47 115.58 120.75 1pd1 h ASN 254 Ca -0.43 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.59 1pd1 h ASN 254 Cb 1.20 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1pd1 h ASN 254 CO 0.92 0.00 -1.86 -0.26 0.07 0.00 0.00 177.43 176.30 1pd1 h PHE 255 N 0.00 0.60 0.00 4.14 -1.00 -1.94 -3.42 116.94 115.32 1pd1 h PHE 255 Ca 0.00 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1pd1 h PHE 255 Cb 0.56 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1pd1 h PHE 255 CO 0.00 1.73 0.00 0.00 -1.61 0.00 0.00 178.31 178.43 1pd1 n ARG 257 N -0.27 -1.34 -2.12 0.00 1.74 0.16 -4.95 116.66 109.89 1pd1 n ARG 257 Ca 0.00 0.33 -0.38 0.00 -0.77 0.00 0.00 57.85 57.03 1pd1 n ARG 257 Cb 0.36 -4.75 -0.00 0.00 -1.02 0.00 0.00 32.46 27.05 1pd1 n ARG 257 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pd1 s LEU 258 N 0.00 4.06 -0.18 0.55 2.96 -1.26 -4.49 118.68 120.32 1pd1 s LEU 258 Ca 0.00 2.49 -0.21 0.00 -0.22 0.00 0.00 54.13 56.19 1pd1 s LEU 258 Cb 0.00 -4.13 -0.03 0.00 0.50 0.00 0.00 46.19 42.54 1pd1 s LEU 258 CO 0.00 -0.99 0.63 0.00 -1.32 0.00 0.00 176.35 174.67 1pd1 s ALA 259 N -1.41 3.52 0.17 5.97 0.00 -1.26 -0.63 121.76 128.12 1pd1 s ALA 259 Ca 0.62 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.46 1pd1 s ALA 259 Cb -0.34 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1pd1 s ALA 259 CO 0.41 -0.49 -0.23 -0.80 0.00 0.00 0.00 175.76 174.65 1pd1 s ASN 260 N 1.13 3.20 0.16 0.00 0.01 0.89 -4.95 114.94 115.37 1pd1 s ASN 260 Ca 0.29 -0.83 -0.26 0.00 -0.71 0.00 0.00 52.86 51.36 1pd1 s ASN 260 Cb -0.16 -0.22 -0.08 0.00 0.41 0.00 0.00 41.25 41.20 1pd1 s ASN 260 CO 0.11 0.10 0.80 -1.81 -1.51 0.00 0.00 177.10 174.79 1pd1 s ASP 261 N -2.48 7.40 -0.29 -1.22 1.01 -1.26 0.26 116.67 120.08 1pd1 s ASP 261 Ca 0.17 1.66 -0.23 0.00 0.71 0.00 0.00 52.55 54.86 1pd1 s ASP 261 Cb -0.08 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 1pd1 s ASP 261 CO 0.08 0.18 0.78 -0.69 0.21 0.00 0.00 175.17 175.73 1pd1 s VAL 262 N -0.99 4.82 0.38 -1.27 1.01 -0.21 -4.81 120.40 119.32 1pd1 s VAL 262 Ca 0.37 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 1pd1 s VAL 262 Cb -0.23 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 1pd1 s VAL 262 CO 0.27 -0.19 1.49 -2.84 0.00 0.00 0.00 175.10 173.83 1pd1 s PRO 263 N 2.89 4.10 0.60 2.72 0.02 -1.26 -4.87 135.00 139.20 1pd1 s PRO 263 Ca 0.32 2.58 0.30 0.00 0.02 0.00 0.00 61.00 64.23 1pd1 s PRO 263 Cb -0.14 -2.97 1.82 0.00 0.02 0.00 0.00 34.50 33.23 1pd1 s PRO 263 CO 0.11 -0.55 2.22 1.98 -0.33 0.00 0.00 177.00 180.44 1pd1 h MET 264 N 3.01 0.00 -0.39 5.54 4.05 -1.98 -2.38 114.93 122.79 1pd1 h MET 264 Ca -0.51 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 58.95 1pd1 h MET 264 Cb 1.24 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.00 1pd1 h MET 264 CO 0.64 0.00 0.16 1.96 0.23 0.00 0.00 176.91 179.90 1pd1 h GLN 265 N 0.00 0.32 -1.32 0.39 4.20 -2.03 -2.99 115.11 113.68 1pd1 h GLN 265 Ca 0.02 -0.02 0.43 0.00 0.06 0.00 0.00 58.65 59.14 1pd1 h GLN 265 Cb 0.13 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.74 1pd1 h GLN 265 CO -0.00 0.21 0.89 -1.33 -0.67 0.00 0.00 178.83 177.93 1pd1 n MET 266 N -4.98 -0.02 -1.09 1.46 2.81 -0.90 -0.37 117.12 114.03 1pd1 n MET 266 Ca 0.02 0.99 -0.16 0.00 -1.81 0.00 0.00 57.70 56.75 1pd1 n MET 266 Cb 0.13 -2.07 0.17 0.00 -0.71 0.00 0.00 33.22 30.74 1pd1 n MET 266 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1pd1 n ASP 267 N -4.10 3.60 -4.34 7.83 8.00 -1.13 -3.40 116.55 123.02 1pd1 n ASP 267 Ca 0.35 -3.73 -0.46 0.00 0.71 0.00 0.00 54.79 51.66 1pd1 n ASP 267 Cb 1.44 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 41.77 1pd1 n ASP 267 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pd1 s GLN 268 N -3.36 3.13 -0.44 -1.24 -0.21 0.50 -4.95 119.66 113.10 1pd1 s GLN 268 Ca 0.51 -1.70 -0.25 0.00 0.02 0.00 0.00 55.36 53.95 1pd1 s GLN 268 Cb 0.44 -4.33 0.02 0.00 1.00 0.00 0.00 33.01 30.14 1pd1 s GLN 268 CO 0.03 -1.42 0.91 -2.14 -2.12 0.00 0.00 175.29 170.56 1pd1 s PRO 274 N 1.80 3.60 0.03 2.91 0.02 -1.26 -4.92 135.00 137.17 1pd1 s PRO 274 Ca 0.09 0.24 -0.08 0.00 0.02 0.00 0.00 61.00 61.27 1pd1 s PRO 274 Cb -0.24 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.38 1pd1 s PRO 274 CO 0.02 -1.15 0.16 0.15 -0.33 0.00 0.00 177.00 175.85 1pd1 s LYS 275 N 3.65 0.61 0.48 5.54 1.02 -1.26 -5.14 119.74 124.63 1pd1 s LYS 275 Ca 0.37 -0.57 0.07 0.00 0.02 0.00 0.00 55.97 55.85 1pd1 s LYS 275 Cb -0.11 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1pd1 s LYS 275 CO 0.24 -0.16 0.36 -1.54 -0.92 0.00 0.00 175.35 173.33 1pd1 s SER 276 N -1.86 4.74 0.56 2.83 1.04 -1.26 -4.92 113.70 114.83 1pd1 s SER 276 Ca -0.08 -1.04 0.25 0.00 0.48 0.00 0.00 55.95 55.56 1pd1 s SER 276 Cb -0.03 -0.08 1.51 0.00 0.10 0.00 0.00 66.02 67.52 1pd1 s SER 276 CO -0.02 -0.86 2.07 0.08 0.98 0.00 0.00 173.24 175.50 1pd1 h ARG 277 N 0.96 0.00 0.00 4.02 0.11 -1.92 -0.21 114.38 117.33 1pd1 h ARG 277 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1pd1 h ARG 277 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1pd1 h ARG 277 CO 0.59 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.32 1pd1 n TYR 278 N -4.11 0.00 1.00 4.08 4.02 -1.26 -1.92 117.16 118.98 1pd1 n TYR 278 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 1pd1 n TYR 278 Cb 0.38 -0.14 0.07 0.00 -0.02 0.00 0.00 39.34 39.62 1pd1 n TYR 278 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1pd1 n ASP 279 N -1.14 0.77 -4.74 7.72 8.00 -0.09 -4.72 116.55 122.35 1pd1 n ASP 279 Ca 0.13 -0.64 -0.41 0.00 0.71 0.00 0.00 54.79 54.58 1pd1 n ASP 279 Cb 0.12 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 1pd1 n ASP 279 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1pd1 s ARG 280 N -2.99 4.62 0.29 -1.24 0.52 -0.81 -4.92 118.95 114.43 1pd1 s ARG 280 Ca 0.10 1.68 0.03 0.00 -0.52 0.00 0.00 55.73 57.02 1pd1 s ARG 280 Cb 0.17 -3.28 0.62 0.00 0.52 0.00 0.00 34.95 32.98 1pd1 s ARG 280 CO 0.78 0.13 1.81 -0.91 0.02 0.00 0.00 175.30 177.13 1pd1 h ASN 281 N 5.00 0.88 0.61 0.23 2.35 -1.92 0.61 115.58 123.34 1pd1 h ASN 281 Ca -0.44 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1pd1 h ASN 281 Cb 1.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1pd1 h ASN 281 CO 0.72 0.41 0.00 1.05 -1.65 0.00 0.00 177.43 177.96 1pd1 h GLU 282 N 0.91 0.00 0.00 0.81 9.09 -1.91 0.88 114.58 124.37 1pd1 h GLU 282 Ca 0.53 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.62 1pd1 h GLU 282 Cb 0.64 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.68 1pd1 h GLU 282 CO -0.31 0.00 -2.27 -0.89 0.05 0.00 0.00 179.01 175.59 1pd1 n ILE 283 N -2.65 1.27 0.04 -1.06 5.41 -0.20 -3.57 119.36 118.61 1pd1 n ILE 283 Ca 0.00 -0.81 -0.12 0.00 1.00 0.00 0.00 62.75 62.81 1pd1 n ILE 283 Cb 0.20 -0.47 -0.14 0.00 -0.71 0.00 0.00 39.64 38.53 1pd1 n ILE 283 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1pd1 h LYS 284 N 0.00 0.13 -6.61 0.38 1.57 -0.27 -3.37 116.57 108.40 1pd1 h LYS 284 Ca -0.46 -0.22 -0.66 0.00 -1.87 0.00 0.00 60.65 57.43 1pd1 h LYS 284 Cb 2.09 0.08 -0.25 0.00 0.08 0.00 0.00 32.23 34.23 1pd1 h LYS 284 CO 0.03 0.95 -0.87 0.00 -0.57 0.00 0.00 179.45 179.00 1pd1 h ALA 286 N 4.57 0.10 -3.10 0.00 0.00 -1.44 -3.42 119.26 115.97 1pd1 h ALA 286 Ca -0.47 -0.69 -0.68 0.00 0.00 0.00 0.00 54.91 53.08 1pd1 h ALA 286 Cb 1.15 0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.73 1pd1 h ALA 286 CO 0.42 0.63 -0.66 0.08 0.00 0.00 0.00 179.25 179.72 1pd1 s VAL 287 N -3.25 3.64 0.38 0.00 1.01 -1.26 -0.93 120.40 119.99 1pd1 s VAL 287 Ca -0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1pd1 s VAL 287 Cb 0.06 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.60 1pd1 s VAL 287 CO 0.91 0.11 0.67 0.00 0.00 0.00 0.00 175.10 176.79 1pd1 s MET 288 N 1.45 2.15 0.01 2.72 0.00 -0.66 -4.45 119.30 120.52 1pd1 s MET 288 Ca 0.02 -1.60 -0.03 0.00 0.00 0.00 0.00 55.69 54.07 1pd1 s MET 288 Cb -0.17 0.56 -0.01 0.00 0.00 0.00 0.00 34.83 35.20 1pd1 s MET 288 CO 0.00 -0.97 0.04 -2.00 0.00 0.00 0.00 175.02 172.10 1pd1 s GLU 289 N -2.50 0.39 0.22 3.16 2.12 -0.53 -0.70 118.70 120.87 1pd1 s GLU 289 Ca 0.22 -0.52 0.10 0.00 0.36 0.00 0.00 54.97 55.12 1pd1 s GLU 289 Cb -0.03 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 1pd1 s GLU 289 CO 0.16 -0.08 -0.18 0.71 -0.54 0.00 0.00 175.26 175.33 1pd1 s TYR 290 N -1.45 1.98 -0.39 5.30 1.51 -0.34 0.12 117.35 124.09 1pd1 s TYR 290 Ca -0.15 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.23 1pd1 s TYR 290 Cb -0.09 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1pd1 s TYR 290 CO 0.00 0.50 0.72 -1.64 -1.11 0.00 0.00 175.55 174.02 1pd1 s MET 291 N -3.39 3.60 0.15 -0.62 -1.94 -0.78 -1.30 119.30 115.03 1pd1 s MET 291 Ca 0.24 0.06 -0.31 0.00 -1.71 0.00 0.00 55.69 53.97 1pd1 s MET 291 Cb -0.04 -3.85 -0.08 0.00 2.01 0.00 0.00 34.83 32.87 1pd1 s MET 291 CO 0.10 -0.90 1.37 0.00 -0.01 0.00 0.00 175.02 175.58 1pd1 s ALA 292 N 2.99 3.57 1.05 3.03 0.00 0.12 -4.61 121.76 127.92 1pd1 s ALA 292 Ca 0.28 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1pd1 s ALA 292 Cb -0.13 -3.52 0.22 0.00 0.00 0.00 0.00 23.12 19.68 1pd1 s ALA 292 CO 0.18 -0.60 1.08 -2.14 0.00 0.00 0.00 175.76 174.28 1pd1 s PRO 293 N 0.57 -0.01 0.31 0.00 0.02 -1.26 -4.76 135.00 129.87 1pd1 s PRO 293 Ca 0.61 0.50 0.06 0.00 0.02 0.00 0.00 61.00 62.20 1pd1 s PRO 293 Cb -0.37 -1.69 0.74 0.00 0.02 0.00 0.00 34.50 33.20 1pd1 s PRO 293 CO 0.34 -3.02 1.79 1.57 -0.33 0.00 0.00 177.00 177.34 1pd1 h LYS 294 N -2.10 0.75 0.00 5.54 2.10 -1.95 -2.36 116.57 118.55 1pd1 h LYS 294 Ca -0.56 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.05 1pd1 h LYS 294 Cb 1.33 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1pd1 h LYS 294 CO 0.56 0.50 0.00 -0.85 -2.00 0.00 0.00 179.45 177.65 1pd1 n GLU 295 N -4.73 0.42 -0.29 0.07 0.00 -1.26 -1.58 120.64 113.27 1pd1 n GLU 295 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.48 1pd1 n GLU 295 Cb 0.55 -1.42 0.26 0.00 0.00 0.00 0.00 31.44 30.83 1pd1 n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pd1 n TYR 296 N -0.92 0.76 -4.07 -1.84 4.02 -0.89 -4.95 117.16 109.29 1pd1 n TYR 296 Ca 0.09 -0.46 -0.13 0.00 -0.01 0.00 0.00 57.90 57.38 1pd1 n TYR 296 Cb 0.04 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.23 1pd1 n TYR 296 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1pd1 s THR 297 N -1.05 0.51 -0.07 -0.72 -4.23 -0.61 -5.03 115.64 104.43 1pd1 s THR 297 Ca 0.40 -1.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1pd1 s THR 297 Cb 0.21 -0.57 -0.09 0.00 1.34 0.00 0.00 72.50 73.40 1pd1 s THR 297 CO 0.28 -0.35 0.02 0.18 -0.54 0.00 0.00 174.62 174.21 1pd1 n LEU 298 N 1.60 0.27 -4.00 4.79 4.77 -1.26 -4.99 117.00 118.17 1pd1 n LEU 298 Ca -0.22 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.61 1pd1 n LEU 298 Cb 0.55 0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.64 1pd1 n LEU 298 CO 0.21 0.22 -0.40 0.00 -1.33 0.00 0.00 177.39 176.09 1pd1 s ARG 299 N -2.18 0.45 0.18 3.23 1.70 -1.26 -5.12 118.95 115.96 1pd1 s ARG 299 Ca -0.04 -0.42 -0.32 0.00 -0.47 0.00 0.00 55.73 54.48 1pd1 s ARG 299 Cb 0.02 -0.34 -0.16 0.00 -0.57 0.00 0.00 34.95 33.91 1pd1 s ARG 299 CO 0.29 0.08 1.08 1.04 -1.08 0.00 0.00 175.30 176.71 1pd1 n GLN 300 N 2.32 1.03 -1.52 3.89 6.02 -1.26 -4.79 117.38 123.07 1pd1 n GLN 300 Ca -0.17 0.37 -0.49 0.00 -0.01 0.00 0.00 57.00 56.69 1pd1 n GLN 300 Cb 0.57 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 1pd1 n GLN 300 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1pd1 n PRO 301 N 1.53 0.73 -2.07 -1.09 -0.02 -1.26 -4.94 135.00 127.88 1pd1 n PRO 301 Ca 0.15 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1pd1 n PRO 301 Cb 0.25 -1.60 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1pd1 n PRO 301 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pd1 s PRO 302 N -0.71 2.79 0.46 0.52 0.02 -1.26 -4.89 135.00 131.92 1pd1 s PRO 302 Ca 0.70 0.26 -0.06 0.00 0.02 0.00 0.00 61.00 61.92 1pd1 s PRO 302 Cb -0.90 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1pd1 s PRO 302 CO 0.55 -0.97 0.77 -2.14 -0.33 0.00 0.00 177.00 174.88 1pd1 s PRO 303 N -5.25 3.59 -0.15 5.54 0.02 -1.26 -4.54 135.00 132.95 1pd1 s PRO 303 Ca 0.57 0.23 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 1pd1 s PRO 303 Cb -0.11 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.98 1pd1 s PRO 303 CO 0.49 -0.15 1.57 0.00 -0.33 0.00 0.00 177.00 178.58 1pd1 s ALA 304 N -2.64 3.46 -0.13 -1.55 0.00 -1.26 -4.86 121.76 114.78 1pd1 s ALA 304 Ca 0.48 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1pd1 s ALA 304 Cb -0.10 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1pd1 s ALA 304 CO 0.42 -1.63 -0.08 0.99 0.00 0.00 0.00 175.76 175.45 1pd1 s THR 305 N 4.52 3.52 -0.03 0.00 2.01 -1.26 -0.44 115.64 123.96 1pd1 s THR 305 Ca 0.69 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.24 1pd1 s THR 305 Cb -0.27 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1pd1 s THR 305 CO 0.27 0.53 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.24 1pd1 s TYR 306 N 0.13 1.70 -0.24 4.92 1.51 0.21 -1.21 117.35 124.37 1pd1 s TYR 306 Ca -0.04 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1pd1 s TYR 306 Cb -0.14 -1.13 0.08 0.00 -0.11 0.00 0.00 41.96 40.65 1pd1 s TYR 306 CO 0.04 -0.12 0.05 0.00 -1.11 0.00 0.00 175.55 174.41 1pd1 s PHE 308 N 1.74 3.21 -0.50 0.00 0.40 0.13 -1.58 117.98 121.38 1pd1 s PHE 308 Ca 0.03 0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 56.94 1pd1 s PHE 308 Cb -0.17 -3.11 0.09 0.00 0.51 0.00 0.00 43.02 40.34 1pd1 s PHE 308 CO -0.15 -0.52 0.45 -1.17 0.70 0.00 0.00 175.22 174.53 1pd1 s LEU 309 N 2.80 5.76 -0.15 -0.37 0.20 0.17 0.16 118.68 127.25 1pd1 s LEU 309 Ca 0.29 -1.45 -0.04 0.00 0.69 0.00 0.00 54.13 53.63 1pd1 s LEU 309 Cb -0.14 -2.21 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1pd1 s LEU 309 CO 0.12 -0.74 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.79 1pd1 s ILE 310 N 1.72 4.06 -0.30 6.68 1.01 0.28 -0.93 121.20 133.72 1pd1 s ILE 310 Ca 0.05 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1pd1 s ILE 310 Cb -0.26 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.45 1pd1 s ILE 310 CO 0.06 0.50 1.17 -0.62 0.00 0.00 0.00 174.94 176.05 1pd1 s ASP 311 N 0.20 6.84 -0.08 3.58 2.15 -0.48 0.80 116.67 129.68 1pd1 s ASP 311 Ca -0.01 1.15 0.12 0.00 0.43 0.00 0.00 52.55 54.24 1pd1 s ASP 311 Cb -0.14 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.24 1pd1 s ASP 311 CO 0.02 -0.95 1.22 1.33 -0.17 0.00 0.00 175.17 176.62 1pd1 n VAL 312 N 5.97 1.56 -0.90 1.11 0.24 -0.76 -4.70 118.33 120.85 1pd1 n VAL 312 Ca 0.13 -1.54 -0.29 0.00 -2.04 0.00 0.00 64.34 60.60 1pd1 n VAL 312 Cb 0.47 0.12 0.22 0.00 -1.47 0.00 0.00 33.84 33.18 1pd1 n VAL 312 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1pd1 s SER 313 N -1.70 1.42 0.29 -1.34 1.04 -1.25 -4.72 113.70 107.43 1pd1 s SER 313 Ca 0.25 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1pd1 s SER 313 Cb 0.19 -1.72 0.52 0.00 0.10 0.00 0.00 66.02 65.10 1pd1 s SER 313 CO 0.07 -3.87 1.87 -0.61 0.98 0.00 0.00 173.24 171.68 1pd1 h GLN 314 N -2.40 1.02 -0.56 4.02 4.15 -1.00 -2.08 115.11 118.25 1pd1 h GLN 314 Ca -0.54 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 58.88 1pd1 h GLN 314 Cb 1.33 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 1pd1 h GLN 314 CO 0.49 0.67 0.37 0.77 -1.93 0.00 0.00 178.83 179.21 1pd1 h SER 315 N 1.05 0.45 0.10 -0.69 0.02 -1.90 -1.07 113.55 111.51 1pd1 h SER 315 Ca 0.45 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.19 1pd1 h SER 315 Cb 0.33 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1pd1 h SER 315 CO -0.20 0.29 -0.82 -1.28 -1.14 0.00 0.00 176.83 173.68 1pd1 h SER 316 N 0.51 0.70 0.58 3.07 0.87 -1.66 -2.40 113.55 115.22 1pd1 h SER 316 Ca 0.24 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1pd1 h SER 316 Cb 0.31 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1pd1 h SER 316 CO -0.07 1.26 -0.28 0.40 -0.53 0.00 0.00 176.83 177.61 1pd1 h ILE 317 N 0.37 0.28 -0.79 2.23 1.08 -1.11 -2.39 117.51 117.19 1pd1 h ILE 317 Ca -0.06 -0.33 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1pd1 h ILE 317 Cb 1.43 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 35.48 1pd1 h ILE 317 CO 0.15 0.04 0.43 0.11 -0.69 0.00 0.00 178.15 178.19 1pd1 h LYS 318 N -1.03 0.69 0.00 2.37 1.57 -1.30 -1.95 116.57 116.91 1pd1 h LYS 318 Ca -0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1pd1 h LYS 318 Cb 0.66 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1pd1 h LYS 318 CO 0.13 0.45 -0.11 0.66 -0.57 0.00 0.00 179.45 180.02 1pd1 h SER 319 N 0.71 0.00 0.00 0.86 4.64 -1.48 -3.44 113.55 114.83 1pd1 h SER 319 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1pd1 h SER 319 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1pd1 h SER 319 CO -0.27 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1pd1 n GLY 320 N 0.27 0.73 0.22 -0.77 0.00 -0.73 0.15 105.19 105.05 1pd1 n GLY 320 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1pd1 n GLY 320 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pd1 h LEU 321 N 0.00 0.49 -0.46 0.99 5.85 -1.69 0.77 115.31 121.26 1pd1 h LEU 321 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1pd1 h LEU 321 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1pd1 h LEU 321 CO 0.00 0.34 0.26 0.25 -0.34 0.00 0.00 178.44 178.95 1pd1 h LEU 322 N 0.61 0.57 0.35 2.25 5.85 -1.81 0.84 115.31 123.97 1pd1 h LEU 322 Ca 0.23 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1pd1 h LEU 322 Cb 0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1pd1 h LEU 322 CO -0.12 0.48 -0.17 0.00 -0.34 0.00 0.00 178.44 178.30 1pd1 h ALA 323 N 1.11 -0.47 -0.91 1.25 0.00 -1.76 0.79 119.26 119.27 1pd1 h ALA 323 Ca 0.16 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1pd1 h ALA 323 Cb 0.03 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1pd1 h ALA 323 CO -0.03 -0.71 0.59 1.15 0.00 0.00 0.00 179.25 180.24 1pd1 h THR 324 N -0.57 0.96 -0.15 0.00 2.02 -0.69 0.22 112.91 114.69 1pd1 h THR 324 Ca -0.05 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1pd1 h THR 324 Cb 0.42 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1pd1 h THR 324 CO 0.08 0.16 -0.27 0.74 0.37 0.00 0.00 175.52 176.61 1pd1 h THR 325 N 0.90 1.36 -0.16 3.16 2.02 -0.59 -0.92 112.91 118.68 1pd1 h THR 325 Ca 0.43 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1pd1 h THR 325 Cb 0.43 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1pd1 h THR 325 CO -0.19 0.45 0.08 0.40 0.37 0.00 0.00 175.52 176.63 1pd1 h ILE 326 N 0.08 1.11 -0.21 3.11 1.08 -0.22 -2.03 117.51 120.43 1pd1 h ILE 326 Ca 0.01 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1pd1 h ILE 326 Cb 0.85 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.58 1pd1 h ILE 326 CO 0.06 0.10 -0.07 0.78 -0.69 0.00 0.00 178.15 178.34 1pd1 h ASN 327 N 0.14 -0.23 -0.59 1.72 2.35 -0.56 -0.55 115.58 117.87 1pd1 h ASN 327 Ca 0.05 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1pd1 h ASN 327 Cb 0.09 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1pd1 h ASN 327 CO -0.01 -0.09 0.36 0.74 -1.65 0.00 0.00 177.43 176.78 1pd1 h THR 328 N -0.02 1.07 -0.23 2.81 2.02 -1.06 0.14 112.91 117.63 1pd1 h THR 328 Ca 0.10 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1pd1 h THR 328 Cb 0.18 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1pd1 h THR 328 CO -0.23 0.13 0.14 -0.07 0.37 0.00 0.00 175.52 175.86 1pd1 h LEU 329 N 0.71 0.28 -1.32 2.58 3.38 -1.01 0.06 115.31 119.99 1pd1 h LEU 329 Ca 0.24 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1pd1 h LEU 329 Cb 0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1pd1 h LEU 329 CO -0.10 0.25 0.52 -0.07 0.09 0.00 0.00 178.44 179.13 1pd1 h LEU 330 N 0.29 0.69 -0.07 1.67 4.07 -0.59 -0.18 115.31 121.19 1pd1 h LEU 330 Ca 0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pd1 h LEU 330 Cb 0.02 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1pd1 h LEU 330 CO -0.02 0.42 -0.22 0.00 -1.08 0.00 0.00 178.44 177.54 1pd1 n GLN 331 N -4.50 0.18 -0.05 1.13 6.02 0.43 -4.25 117.38 116.33 1pd1 n GLN 331 Ca 0.13 -0.07 0.01 0.00 -0.01 0.00 0.00 57.00 57.07 1pd1 n GLN 331 Cb 0.30 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.08 1pd1 n GLN 331 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pd1 n ASN 332 N -1.35 1.07 0.02 1.08 3.02 -0.06 -4.79 115.26 114.25 1pd1 n ASN 332 Ca 0.08 -1.72 0.23 0.00 -0.03 0.00 0.00 54.58 53.14 1pd1 n ASN 332 Cb 0.32 -0.06 0.71 0.00 -0.61 0.00 0.00 39.78 40.14 1pd1 n ASN 332 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1pd1 h LEU 333 N 0.00 0.00 -1.16 3.41 3.38 -1.30 1.02 115.31 120.66 1pd1 h LEU 333 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pd1 h LEU 333 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1pd1 h LEU 333 CO 0.00 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 178.93 1pd1 n ASP 334 N -3.72 1.87 0.02 -0.43 8.00 -1.26 -3.78 116.55 117.24 1pd1 n ASP 334 Ca 0.11 -1.55 -0.03 0.00 0.71 0.00 0.00 54.79 54.03 1pd1 n ASP 334 Cb 0.78 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.84 1pd1 n ASP 334 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1pd1 h SER 335 N 2.82 0.00 -3.05 -2.24 0.02 0.74 -3.46 113.55 108.38 1pd1 h SER 335 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1pd1 h SER 335 Cb 0.65 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.25 1pd1 h SER 335 CO 0.00 0.73 0.86 -0.63 -1.14 0.00 0.00 176.83 176.65 1pd1 s ILE 336 N -2.81 2.47 0.44 3.27 1.01 -1.10 -4.25 121.20 120.23 1pd1 s ILE 336 Ca -0.03 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.73 1pd1 s ILE 336 Cb 0.08 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 1pd1 s ILE 336 CO 0.81 0.04 1.33 -2.65 0.00 0.00 0.00 174.94 174.48 1pd1 n PRO 337 N 3.19 2.04 -2.71 2.79 -0.02 -1.26 -4.91 135.00 134.11 1pd1 n PRO 337 Ca 0.11 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1pd1 n PRO 337 Cb 0.38 -2.49 0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1pd1 n PRO 337 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1pd1 n ASN 338 N -0.01 -1.73 0.15 2.55 2.85 -1.26 -4.76 115.26 113.04 1pd1 n ASN 338 Ca 0.06 -2.74 0.05 0.00 -0.11 0.00 0.00 54.58 51.85 1pd1 n ASN 338 Cb 0.41 1.08 0.51 0.00 1.24 0.00 0.00 39.78 43.01 1pd1 n ASN 338 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1pd1 h HIS 339 N 2.28 0.21 -0.43 1.20 3.86 -1.91 -2.30 115.15 118.06 1pd1 h HIS 339 Ca -0.23 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1pd1 h HIS 339 Cb 1.25 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1pd1 h HIS 339 CO 0.20 0.19 0.00 -0.40 0.86 0.00 0.00 177.93 178.78 1pd1 n ASP 340 N -4.45 3.77 0.00 2.45 5.68 -1.26 -4.94 116.55 117.81 1pd1 n ASP 340 Ca -0.01 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1pd1 n ASP 340 Cb 0.13 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1pd1 n ASP 340 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pd1 n GLU 341 N 0.46 -1.98 0.02 0.11 1.02 -0.87 -4.79 120.64 114.61 1pd1 n GLU 341 Ca 0.19 0.47 0.11 0.00 -0.02 0.00 0.00 57.16 57.91 1pd1 n GLU 341 Cb 0.70 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 27.17 1pd1 n GLU 341 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pd1 n ARG 342 N 0.93 0.42 -1.57 3.49 1.74 -1.26 -4.77 116.66 115.63 1pd1 n ARG 342 Ca 0.00 -0.05 -0.60 0.00 -0.77 0.00 0.00 57.85 56.43 1pd1 n ARG 342 Cb 0.47 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.24 1pd1 n ARG 342 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1pd1 n THR 343 N -2.10 0.01 -4.56 0.55 -1.04 -1.26 -4.67 114.28 101.20 1pd1 n THR 343 Ca -0.00 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1pd1 n THR 343 Cb 0.48 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.62 1pd1 n THR 343 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pd1 s ARG 344 N 0.86 2.25 0.27 -2.82 0.52 0.42 -2.06 118.95 118.39 1pd1 s ARG 344 Ca 0.94 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 1pd1 s ARG 344 Cb -1.27 -2.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.83 1pd1 s ARG 344 CO 0.62 0.56 -0.04 -1.50 0.02 0.00 0.00 175.30 174.96 1pd1 s ILE 345 N -0.97 1.50 -0.04 1.52 2.07 -0.07 -0.62 121.20 124.60 1pd1 s ILE 345 Ca 0.16 -2.10 -0.25 0.00 -1.41 0.00 0.00 60.65 57.05 1pd1 s ILE 345 Cb -0.11 -2.45 0.05 0.00 0.13 0.00 0.00 42.46 40.08 1pd1 s ILE 345 CO 0.07 -0.29 0.54 -0.55 -1.91 0.00 0.00 174.94 172.80 1pd1 s SER 346 N -3.42 -0.48 -0.07 4.50 0.15 0.15 -1.00 113.70 113.53 1pd1 s SER 346 Ca 0.30 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.44 1pd1 s SER 346 Cb 0.04 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1pd1 s SER 346 CO 0.11 -0.54 -0.07 -0.63 1.20 0.00 0.00 173.24 173.31 1pd1 s ILE 347 N -1.23 0.81 -0.22 6.45 1.01 -1.26 -0.70 121.20 126.07 1pd1 s ILE 347 Ca -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1pd1 s ILE 347 Cb -0.02 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.69 1pd1 s ILE 347 CO 0.08 0.30 -0.10 -0.76 0.00 0.00 0.00 174.94 174.45 1pd1 s LEU 348 N 1.14 2.57 -0.09 2.97 1.43 0.12 -4.36 118.68 122.46 1pd1 s LEU 348 Ca -0.07 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 51.86 1pd1 s LEU 348 Cb -0.14 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1pd1 s LEU 348 CO -0.01 -0.16 0.36 0.00 0.23 0.00 0.00 176.35 176.77 1pd1 s VAL 350 N -0.14 0.31 0.00 0.00 1.01 0.24 -0.83 120.40 120.99 1pd1 s VAL 350 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1pd1 s VAL 350 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1pd1 s VAL 350 CO 0.09 0.20 0.00 -0.90 0.00 0.00 0.00 175.10 174.49 1pd1 n ASP 351 N 4.46 0.00 0.03 3.32 5.68 -1.26 -1.82 116.55 126.96 1pd1 n ASP 351 Ca -0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.22 1pd1 n ASP 351 Cb 0.50 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.69 1pd1 n ASP 351 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1pd1 n ASN 352 N 0.00 0.59 -4.30 -1.12 2.04 -1.11 -0.75 115.26 110.61 1pd1 n ASN 352 Ca 0.00 -0.01 -0.16 0.00 -0.44 0.00 0.00 54.58 53.97 1pd1 n ASN 352 Cb 0.00 0.20 -0.10 0.00 -2.53 0.00 0.00 39.78 37.35 1pd1 n ASN 352 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pd1 s ALA 353 N -3.10 1.66 -0.33 -2.53 0.00 -1.26 -4.82 121.76 111.37 1pd1 s ALA 353 Ca 0.08 -1.65 -0.12 0.00 0.00 0.00 0.00 51.96 50.27 1pd1 s ALA 353 Cb 0.15 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1pd1 s ALA 353 CO 0.71 -0.19 0.22 0.42 0.00 0.00 0.00 175.76 176.92 1pd1 s ILE 354 N -3.39 5.14 -0.26 0.00 1.01 -0.69 -4.46 121.20 118.56 1pd1 s ILE 354 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 1pd1 s ILE 354 Cb 0.04 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1pd1 s ILE 354 CO 0.05 0.01 0.31 -1.00 0.00 0.00 0.00 174.94 174.31 1pd1 s HIS 355 N 1.70 3.26 0.37 3.97 3.76 -0.01 -1.92 115.29 126.42 1pd1 s HIS 355 Ca 0.06 0.33 0.07 0.00 -0.15 0.00 0.00 55.06 55.37 1pd1 s HIS 355 Cb -0.17 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 1pd1 s HIS 355 CO 0.10 -0.16 0.44 0.71 -0.85 0.00 0.00 174.74 174.97 1pd1 s TYR 356 N 1.82 2.94 -0.12 1.40 1.51 0.11 -2.47 117.35 122.54 1pd1 s TYR 356 Ca 0.13 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1pd1 s TYR 356 Cb -0.16 -2.06 0.06 0.00 -0.11 0.00 0.00 41.96 39.69 1pd1 s TYR 356 CO 0.10 -0.08 0.18 -0.06 -1.11 0.00 0.00 175.55 174.58 1pd1 s PHE 357 N -2.29 -0.21 -0.20 2.71 0.40 -1.26 -1.33 117.98 115.82 1pd1 s PHE 357 Ca 0.47 0.52 -0.25 0.00 -0.60 0.00 0.00 56.93 57.08 1pd1 s PHE 357 Cb -0.08 -0.28 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 1pd1 s PHE 357 CO 0.30 -0.36 0.81 0.15 0.70 0.00 0.00 175.22 176.82 1pd1 s LYS 358 N 2.31 4.25 -0.29 0.44 1.02 -0.50 -4.43 119.74 122.53 1pd1 s LYS 358 Ca 0.04 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 56.96 1pd1 s LYS 358 Cb -0.13 -3.60 0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1pd1 s LYS 358 CO -0.07 -0.38 -0.01 0.42 -0.92 0.00 0.00 175.35 174.39 1pd1 s ILE 359 N 2.34 3.00 0.88 2.17 1.01 0.14 -4.14 121.20 126.60 1pd1 s ILE 359 Ca 0.36 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1pd1 s ILE 359 Cb -0.16 -2.69 0.12 0.00 0.01 0.00 0.00 42.46 39.74 1pd1 s ILE 359 CO 0.11 -0.06 1.10 -2.84 0.00 0.00 0.00 174.94 173.25 1pd1 s PRO 360 N 1.27 1.40 0.24 2.79 0.02 -1.26 -4.73 135.00 134.73 1pd1 s PRO 360 Ca -0.04 0.65 -0.30 0.00 0.02 0.00 0.00 61.00 61.33 1pd1 s PRO 360 Cb -0.19 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1pd1 s PRO 360 CO -0.01 -2.10 1.16 -0.51 -0.33 0.00 0.00 177.00 175.21 1pd1 s LEU 361 N -6.08 4.49 0.37 -5.54 1.43 -1.26 -4.73 118.68 107.36 1pd1 s LEU 361 Ca 0.63 2.28 0.15 0.00 -1.03 0.00 0.00 54.13 56.16 1pd1 s LEU 361 Cb -0.16 -3.62 1.02 0.00 0.03 0.00 0.00 46.19 43.46 1pd1 s LEU 361 CO 0.56 -0.28 1.76 0.44 0.23 0.00 0.00 176.35 179.05 1pd1 h ASP 362 N 4.48 0.53 0.00 2.29 3.32 -0.82 -0.68 116.42 125.54 1pd1 h ASP 362 Ca -0.46 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1pd1 h ASP 362 Cb 1.21 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1pd1 h ASP 362 CO 0.70 0.10 0.02 -1.54 -1.72 0.00 0.00 179.24 176.80 1pd1 n SER 363 N -4.71 0.06 -0.96 6.45 3.41 -1.26 -2.66 113.62 113.96 1pd1 n SER 363 Ca 0.26 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1pd1 n SER 363 Cb 0.82 -0.52 0.21 0.00 -0.26 0.00 0.00 64.21 64.46 1pd1 n SER 363 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1pd1 n GLU 364 N -1.57 1.92 -2.77 4.33 0.28 -0.26 -5.27 120.64 117.29 1pd1 n GLU 364 Ca -0.00 -3.11 -0.32 0.00 -0.16 0.00 0.00 57.16 53.57 1pd1 n GLU 364 Cb 0.02 -1.77 -0.04 0.00 1.43 0.00 0.00 31.44 31.08 1pd1 n GLU 364 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1pd1 s ASN 365 N -2.58 6.64 0.07 -1.84 0.01 -1.09 -5.01 114.94 111.15 1pd1 s ASN 365 Ca 0.42 1.35 0.07 0.00 -0.71 0.00 0.00 52.86 53.99 1pd1 s ASN 365 Cb 0.38 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1pd1 s ASN 365 CO 0.00 -0.41 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.40 1pd1 s ILE 373 N -2.35 3.01 -0.35 0.60 1.01 -1.26 -5.17 121.20 116.68 1pd1 s ILE 373 Ca 0.55 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1pd1 s ILE 373 Cb -0.10 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.13 1pd1 s ILE 373 CO 0.27 0.24 0.10 0.20 0.00 0.00 0.00 174.94 175.75 1pd1 s ASN 374 N -1.75 5.04 -0.30 3.58 0.01 -1.26 -5.06 114.94 115.20 1pd1 s ASN 374 Ca 0.17 -1.72 -0.06 0.00 -0.71 0.00 0.00 52.86 50.54 1pd1 s ASN 374 Cb -0.11 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.82 1pd1 s ASN 374 CO 0.08 -0.40 0.06 -0.32 -1.51 0.00 0.00 177.10 175.01 1pd1 s MET 375 N 1.16 2.90 -0.39 -0.60 -2.45 -1.26 -1.41 119.30 117.24 1pd1 s MET 375 Ca 0.03 -0.98 -0.14 0.00 -1.25 0.00 0.00 55.69 53.36 1pd1 s MET 375 Cb -0.21 -3.33 0.02 0.00 1.25 0.00 0.00 34.83 32.57 1pd1 s MET 375 CO -0.03 -0.50 0.27 1.41 1.05 0.00 0.00 175.02 177.21 1pd1 s MET 376 N 1.44 2.96 0.34 4.11 1.75 -0.44 -4.90 119.30 124.55 1pd1 s MET 376 Ca 0.01 -1.01 -0.17 0.00 -1.25 0.00 0.00 55.69 53.26 1pd1 s MET 376 Cb -0.18 -3.89 -0.09 0.00 2.84 0.00 0.00 34.83 33.51 1pd1 s MET 376 CO 0.01 -0.71 0.79 -0.51 -0.65 0.00 0.00 175.02 173.95 1pd1 s ASP 377 N 1.64 6.84 -0.31 1.11 1.11 -1.26 -0.71 116.67 125.09 1pd1 s ASP 377 Ca 0.04 1.39 -0.00 0.00 0.18 0.00 0.00 52.55 54.16 1pd1 s ASP 377 Cb -0.19 -2.42 0.14 0.00 1.07 0.00 0.00 42.92 41.52 1pd1 s ASP 377 CO 0.09 -0.22 0.28 -0.63 1.18 0.00 0.00 175.17 175.87 1pd1 s ILE 378 N -1.99 -0.29 -0.66 0.77 1.01 -0.81 -4.97 121.20 114.26 1pd1 s ILE 378 Ca 0.55 -0.74 0.25 0.00 0.00 0.00 0.00 60.65 60.70 1pd1 s ILE 378 Cb -0.11 -0.93 0.11 0.00 0.01 0.00 0.00 42.46 41.54 1pd1 s ILE 378 CO 0.17 -0.58 1.43 0.00 0.00 0.00 0.00 174.94 175.96 1pd1 n ALA 379 N 4.96 2.77 -2.22 9.38 0.00 -1.26 -1.70 120.51 132.43 1pd1 n ALA 379 Ca 0.01 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 1pd1 n ALA 379 Cb 0.45 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1pd1 n ALA 379 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pd1 s ASP 380 N -4.32 5.60 0.29 0.00 2.15 -1.26 -4.77 116.67 114.37 1pd1 s ASP 380 Ca 0.07 -1.30 0.22 0.00 0.43 0.00 0.00 52.55 51.98 1pd1 s ASP 380 Cb 0.13 -2.57 1.06 0.00 -0.30 0.00 0.00 42.92 41.24 1pd1 s ASP 380 CO 0.69 -2.38 1.68 0.18 -0.17 0.00 0.00 175.17 175.17 1pd1 n LEU 381 N 12.34 0.62 0.13 -1.34 4.77 -1.26 -1.52 117.00 130.74 1pd1 n LEU 381 Ca 0.41 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 57.23 1pd1 n LEU 381 Cb 0.48 -0.70 0.32 0.00 -2.33 0.00 0.00 43.42 41.19 1pd1 n LEU 381 CO 0.65 -0.74 0.82 -0.33 -1.33 0.00 0.00 177.39 176.45 1pd1 h GLU 382 N 0.00 0.00 0.00 3.23 4.39 -1.98 -3.46 114.58 116.76 1pd1 h GLU 382 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pd1 h GLU 382 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1pd1 h GLU 382 CO 0.00 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.94 1pd1 n GLU 383 N -2.47 2.73 0.08 2.33 4.07 -0.58 -5.22 120.64 121.59 1pd1 n GLU 383 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1pd1 n GLU 383 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1pd1 n GLU 383 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pd1 n PRO 389 N 0.00 0.00 -1.90 5.31 -0.02 -1.26 -4.94 135.00 132.19 1pd1 n PRO 389 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1pd1 n PRO 389 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1pd1 n PRO 389 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1pd1 s ASN 390 N -3.66 6.54 0.00 2.55 -0.87 -1.26 -1.75 114.94 116.48 1pd1 s ASN 390 Ca 0.00 2.73 0.00 0.00 -1.57 0.00 0.00 52.86 54.02 1pd1 s ASN 390 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1pd1 s ASN 390 CO 0.00 -0.83 0.00 -1.20 -2.57 0.00 0.00 177.10 172.50 1pd1 n SER 391 N 3.12 0.00 -0.05 -1.22 7.64 -1.26 -4.76 113.62 117.09 1pd1 n SER 391 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 1pd1 n SER 391 Cb 0.38 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 1pd1 n SER 391 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1pd1 n MET 392 N -2.00 1.73 -3.97 1.43 2.81 -0.72 0.24 117.12 116.65 1pd1 n MET 392 Ca 0.00 0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.59 1pd1 n MET 392 Cb 0.00 -1.25 -0.14 0.00 -0.71 0.00 0.00 33.22 31.12 1pd1 n MET 392 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1pd1 s VAL 393 N -2.24 2.52 0.35 2.03 1.01 -0.80 -4.29 120.40 118.99 1pd1 s VAL 393 Ca -0.09 -2.14 0.09 0.00 0.00 0.00 0.00 61.98 59.84 1pd1 s VAL 393 Cb 0.03 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1pd1 s VAL 393 CO 0.36 -0.52 -0.04 0.68 0.00 0.00 0.00 175.10 175.58 1pd1 s VAL 394 N 1.00 2.32 0.01 2.92 -7.23 -0.17 -4.76 120.40 114.48 1pd1 s VAL 394 Ca 0.07 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 1pd1 s VAL 394 Cb -0.20 -2.75 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 1pd1 s VAL 394 CO -0.06 -0.17 1.75 -0.55 -0.31 0.00 0.00 175.10 175.76 1pd1 s SER 395 N -3.66 6.58 0.47 4.85 0.15 -1.26 -0.89 113.70 119.93 1pd1 s SER 395 Ca 0.34 2.45 0.14 0.00 0.70 0.00 0.00 55.95 59.58 1pd1 s SER 395 Cb 0.03 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.88 1pd1 s SER 395 CO 0.18 -0.96 2.06 0.25 1.20 0.00 0.00 173.24 175.97 1pd1 h LEU 396 N 9.85 0.06 0.03 3.45 5.85 -1.73 -1.64 115.31 131.18 1pd1 h LEU 396 Ca -0.43 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1pd1 h LEU 396 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1pd1 h LEU 396 CO 0.94 0.14 -0.01 0.50 -0.34 0.00 0.00 178.44 179.67 1pd1 h LYS 397 N 0.07 -0.04 0.00 1.25 3.64 -1.86 -2.63 116.57 117.00 1pd1 h LYS 397 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pd1 h LYS 397 Cb 0.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1pd1 h LYS 397 CO 0.01 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1pd1 n ALA 398 N -2.76 1.11 -1.41 5.00 0.00 -1.20 -1.77 120.51 119.48 1pd1 n ALA 398 Ca -0.02 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1pd1 n ALA 398 Cb 0.07 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1pd1 n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pd1 h ARG 400 N 0.00 -0.12 -0.29 0.00 9.65 -0.95 0.33 114.38 122.99 1pd1 h ARG 400 Ca 0.00 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 1pd1 h ARG 400 Cb 1.15 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1pd1 h ARG 400 CO 0.00 -0.08 -0.04 0.37 2.80 0.00 0.00 179.97 183.02 1pd1 h GLN 401 N -0.13 0.54 -0.59 0.20 5.75 -1.89 -2.42 115.11 116.58 1pd1 h GLN 401 Ca 0.26 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1pd1 h GLN 401 Cb 0.55 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1pd1 h GLN 401 CO -0.71 0.72 0.37 -0.91 -2.65 0.00 0.00 178.83 175.65 1pd1 h ASN 402 N 0.32 0.70 -0.67 -0.69 2.35 -1.68 0.23 115.58 116.14 1pd1 h ASN 402 Ca 0.08 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1pd1 h ASN 402 Cb 0.50 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1pd1 h ASN 402 CO 0.02 0.53 0.33 0.40 -1.65 0.00 0.00 177.43 177.06 1pd1 h ILE 403 N 0.79 1.22 -0.33 2.81 2.04 -0.36 -0.32 117.51 123.36 1pd1 h ILE 403 Ca 0.21 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1pd1 h ILE 403 Cb -0.04 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1pd1 h ILE 403 CO -0.04 0.27 0.07 -0.08 0.00 0.00 0.00 178.15 178.36 1pd1 h GLU 404 N 0.98 0.54 -0.93 2.37 4.81 -0.85 -1.69 114.58 119.81 1pd1 h GLU 404 Ca 0.24 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1pd1 h GLU 404 Cb 0.11 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 1pd1 h GLU 404 CO -0.03 0.61 0.60 1.15 -0.73 0.00 0.00 179.01 180.61 1pd1 h THR 405 N 0.38 1.13 0.21 0.32 2.02 0.30 -2.53 112.91 114.74 1pd1 h THR 405 Ca 0.10 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1pd1 h THR 405 Cb 0.32 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1pd1 h THR 405 CO 0.00 0.21 -0.10 0.25 0.37 0.00 0.00 175.52 176.25 1pd1 h LEU 406 N 1.14 -0.24 -1.82 2.58 5.85 -0.85 -3.02 115.31 118.95 1pd1 h LEU 406 Ca 0.38 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 59.03 1pd1 h LEU 406 Cb 0.05 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1pd1 h LEU 406 CO -0.13 0.09 0.41 -0.07 -0.34 0.00 0.00 178.44 178.40 1pd1 h LEU 407 N -0.59 0.17 -0.70 2.25 3.38 -1.19 -1.77 115.31 116.87 1pd1 h LEU 407 Ca -0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1pd1 h LEU 407 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1pd1 h LEU 407 CO 0.05 0.09 -0.51 0.74 0.09 0.00 0.00 178.44 178.90 1pd1 h THR 408 N 0.19 1.34 0.21 0.22 2.02 -1.35 -3.29 112.91 112.25 1pd1 h THR 408 Ca 0.29 -1.76 -0.32 0.00 0.77 0.00 0.00 66.41 65.38 1pd1 h THR 408 Cb 0.87 1.80 0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1pd1 h THR 408 CO -0.05 0.53 -1.43 0.11 0.37 0.00 0.00 175.52 175.06 1pd1 h LYS 409 N 0.28 0.45 -0.87 6.66 1.57 -1.22 -3.38 116.57 120.07 1pd1 h LYS 409 Ca 0.01 -0.78 0.20 0.00 -1.87 0.00 0.00 60.65 58.22 1pd1 h LYS 409 Cb 1.00 0.29 -0.16 0.00 0.08 0.00 0.00 32.23 33.43 1pd1 h LYS 409 CO 0.09 1.37 -0.11 -0.89 -0.57 0.00 0.00 179.45 179.33 1pd1 n ILE 410 N -3.65 -0.37 0.21 1.86 5.41 -0.98 0.14 119.36 121.98 1pd1 n ILE 410 Ca -0.15 1.97 0.07 0.00 1.00 0.00 0.00 62.75 65.64 1pd1 n ILE 410 Cb 1.08 -2.79 0.58 0.00 -0.71 0.00 0.00 39.64 37.81 1pd1 n ILE 410 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1pd1 h PRO 411 N 0.00 0.09 0.15 0.38 0.11 -1.74 -2.35 132.00 128.65 1pd1 h PRO 411 Ca 0.47 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 66.26 1pd1 h PRO 411 Cb 0.84 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 31.96 1pd1 h PRO 411 CO -0.87 0.09 -1.31 1.96 -0.21 0.00 0.00 178.00 177.67 1pd1 h GLN 412 N 0.10 0.61 -0.60 1.05 4.20 0.10 -2.40 115.11 118.17 1pd1 h GLN 412 Ca 0.03 -0.87 0.07 0.00 0.06 0.00 0.00 58.65 57.94 1pd1 h GLN 412 Cb 0.04 0.29 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1pd1 h GLN 412 CO -0.00 1.40 0.28 0.82 -0.67 0.00 0.00 178.83 180.66 1pd1 h ILE 413 N 0.25 0.87 -0.34 2.54 2.04 -0.59 -2.55 117.51 119.74 1pd1 h ILE 413 Ca -0.21 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1pd1 h ILE 413 Cb 1.98 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1pd1 h ILE 413 CO 0.25 0.09 0.00 0.49 0.00 0.00 0.00 178.15 178.98 1pd1 n PHE 414 N -4.91 1.23 -0.34 1.37 3.01 -1.05 -4.69 117.46 112.08 1pd1 n PHE 414 Ca 0.07 -0.85 0.22 0.00 1.01 0.00 0.00 57.45 57.91 1pd1 n PHE 414 Cb 0.21 -0.37 0.48 0.00 -0.01 0.00 0.00 39.48 39.79 1pd1 n PHE 414 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1pd1 h GLN 415 N 2.33 0.42 -0.54 -1.08 4.15 -0.98 -1.72 115.11 117.68 1pd1 h GLN 415 Ca 0.00 -0.03 -0.40 0.00 0.77 0.00 0.00 58.65 59.00 1pd1 h GLN 415 Cb 1.58 -0.09 -0.33 0.00 0.21 0.00 0.00 27.48 28.85 1pd1 h GLN 415 CO 0.29 0.28 -0.78 -1.13 -1.93 0.00 0.00 178.83 175.56 1pd1 n SER 416 N -4.75 3.88 -4.71 -0.69 3.41 -1.26 -5.03 113.62 104.47 1pd1 n SER 416 Ca 0.27 -3.62 -0.42 0.00 -0.26 0.00 0.00 58.87 54.84 1pd1 n SER 416 Cb 0.88 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1pd1 n SER 416 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1pd1 s ASN 417 N -3.50 6.70 0.00 4.04 3.84 -0.65 -4.89 114.94 120.49 1pd1 s ASN 417 Ca 0.46 2.44 0.17 0.00 0.21 0.00 0.00 52.86 56.14 1pd1 s ASN 417 Cb 0.39 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.56 1pd1 s ASN 417 CO 0.00 -0.77 0.94 0.18 -2.79 0.00 0.00 177.10 174.67 1pd1 n LEU 418 N 4.42 1.95 -4.74 3.21 4.77 -1.26 -4.30 117.00 121.05 1pd1 n LEU 418 Ca 0.13 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 1pd1 n LEU 418 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1pd1 n LEU 418 CO 0.60 0.36 0.86 -0.63 -1.33 0.00 0.00 177.39 177.25 1pd1 s ILE 419 N -1.76 3.63 -1.13 -0.08 1.01 -1.26 -4.82 121.20 116.78 1pd1 s ILE 419 Ca 0.16 1.39 0.13 0.00 0.00 0.00 0.00 60.65 62.33 1pd1 s ILE 419 Cb 0.14 -3.89 0.35 0.00 0.01 0.00 0.00 42.46 39.07 1pd1 s ILE 419 CO 0.34 0.23 1.28 0.35 0.00 0.00 0.00 174.94 177.15 1pd1 n THR 420 N 2.38 0.95 -3.30 2.92 -2.24 -1.26 -0.54 114.28 113.19 1pd1 n THR 420 Ca 0.04 -0.97 -0.37 0.00 -2.27 0.00 0.00 64.05 60.47 1pd1 n THR 420 Cb 0.45 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1pd1 n THR 420 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pd1 s ASN 421 N -1.01 6.97 -0.31 3.42 0.01 -1.26 -4.92 114.94 117.85 1pd1 s ASN 421 Ca 0.27 1.20 -0.02 0.00 -0.71 0.00 0.00 52.86 53.60 1pd1 s ASN 421 Cb 0.14 -2.34 0.11 0.00 0.41 0.00 0.00 41.25 39.57 1pd1 s ASN 421 CO 0.19 0.20 0.14 0.12 -1.51 0.00 0.00 177.10 176.23 1pd1 s PHE 422 N -1.26 0.82 -1.55 2.20 5.36 -1.18 -2.75 117.98 119.62 1pd1 s PHE 422 Ca 0.33 -1.28 -0.12 0.00 -0.96 0.00 0.00 56.93 54.90 1pd1 s PHE 422 Cb -0.18 -1.16 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1pd1 s PHE 422 CO 0.19 -0.84 2.63 0.00 -1.46 0.00 0.00 175.22 175.74 1pd1 n ALA 423 N 4.90 6.67 -0.07 11.12 0.00 0.07 -3.21 120.51 139.98 1pd1 n ALA 423 Ca -0.02 -3.70 -0.07 0.00 0.00 0.00 0.00 53.44 49.65 1pd1 n ALA 423 Cb 0.41 -3.43 -0.01 0.00 0.00 0.00 0.00 19.45 16.41 1pd1 n ALA 423 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pd1 h LEU 424 N 8.28 -0.28 0.00 0.00 5.85 -1.88 -1.01 115.31 126.27 1pd1 h LEU 424 Ca 0.74 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1pd1 h LEU 424 Cb 0.44 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1pd1 h LEU 424 CO 1.83 -0.10 0.00 0.61 -0.34 0.00 0.00 178.44 180.43 1pd1 n GLY 425 N -1.25 -2.93 0.24 3.75 0.00 -1.20 0.26 105.19 104.05 1pd1 n GLY 425 Ca -0.01 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.44 1pd1 n GLY 425 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pd1 h PRO 426 N 0.00 0.14 -0.51 1.61 0.11 -1.68 -1.94 132.00 129.74 1pd1 h PRO 426 Ca 0.00 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.13 1pd1 h PRO 426 Cb 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1pd1 h PRO 426 CO 0.00 0.09 0.28 0.00 -0.21 0.00 0.00 178.00 178.16 1pd1 h ALA 427 N 1.55 0.65 -0.73 -0.75 0.00 -0.67 -0.65 119.26 118.66 1pd1 h ALA 427 Ca 0.33 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1pd1 h ALA 427 Cb 0.53 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1pd1 h ALA 427 CO -0.51 -0.04 0.48 1.25 0.00 0.00 0.00 179.25 180.43 1pd1 h LEU 428 N 0.55 0.65 -0.32 0.00 5.85 0.57 -0.40 115.31 122.21 1pd1 h LEU 428 Ca 0.21 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 1pd1 h LEU 428 Cb 0.07 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1pd1 h LEU 428 CO -0.12 0.41 -0.58 0.11 -0.34 0.00 0.00 178.44 177.91 1pd1 h LYS 429 N 0.73 0.80 -0.03 1.25 1.57 -0.80 -2.07 116.57 118.01 1pd1 h LYS 429 Ca 0.32 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1pd1 h LYS 429 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1pd1 h LYS 429 CO -0.11 1.16 -0.04 0.77 -0.57 0.00 0.00 179.45 180.65 1pd1 h SER 430 N 0.61 -0.13 -0.77 0.86 0.02 0.30 -1.66 113.55 112.78 1pd1 h SER 430 Ca 0.00 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1pd1 h SER 430 Cb 1.18 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 1pd1 h SER 430 CO 0.12 -0.06 0.47 0.00 -1.14 0.00 0.00 176.83 176.22 1pd1 h ALA 431 N 0.97 1.04 0.28 3.77 0.00 -1.14 0.16 119.26 124.33 1pd1 h ALA 431 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pd1 h ALA 431 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1pd1 h ALA 431 CO -0.07 0.21 -0.49 -0.92 0.00 0.00 0.00 179.25 177.98 1pd1 h TYR 432 N 0.87 -1.40 -0.28 0.00 3.20 -0.86 -0.65 116.97 117.87 1pd1 h TYR 432 Ca 0.33 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.26 1pd1 h TYR 432 Cb 0.13 0.57 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1pd1 h TYR 432 CO -0.05 -0.60 0.19 1.25 -1.64 0.00 0.00 178.16 177.32 1pd1 h HIS 433 N -0.82 0.20 -0.49 -3.82 2.76 -0.91 0.53 115.15 112.59 1pd1 h HIS 433 Ca -0.03 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1pd1 h HIS 433 Cb 0.77 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 1pd1 h HIS 433 CO -0.36 0.11 0.07 1.25 -1.30 0.00 0.00 177.93 177.70 1pd1 h LEU 434 N 0.20 0.80 -2.42 0.26 5.85 0.62 -3.34 115.31 117.28 1pd1 h LEU 434 Ca 0.12 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1pd1 h LEU 434 Cb 0.22 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1pd1 h LEU 434 CO -0.02 0.87 0.00 2.30 -0.34 0.00 0.00 178.44 181.25 1pd1 n ILE 435 N -4.40 0.71 0.29 4.05 -5.35 -0.38 -4.77 119.36 109.51 1pd1 n ILE 435 Ca 0.01 -0.85 0.15 0.00 -0.27 0.00 0.00 62.75 61.79 1pd1 n ILE 435 Cb 0.27 0.65 0.87 0.00 -1.74 0.00 0.00 39.64 39.68 1pd1 n ILE 435 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1pd1 h GLY 436 N 0.13 0.00 1.33 3.28 0.00 -0.07 0.26 103.07 108.01 1pd1 h GLY 436 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pd1 h GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pd1 n GLY 437 N -0.95 -0.82 0.00 4.60 0.00 -1.26 -3.75 105.19 103.01 1pd1 n GLY 437 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1pd1 n GLY 437 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pd1 n VAL 438 N -1.17 0.00 0.00 1.61 0.31 -1.02 -5.16 118.33 112.90 1pd1 n VAL 438 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pd1 n VAL 438 Cb 0.12 0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1pd1 n VAL 438 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pd1 n GLY 439 N 0.00 -2.02 0.00 2.92 0.00 0.89 -4.92 105.19 102.06 1pd1 n GLY 439 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1pd1 n GLY 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pd1 n GLY 440 N -1.97 -0.50 3.47 -0.02 0.00 -0.34 -4.61 105.19 101.22 1pd1 n GLY 440 Ca 0.00 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1pd1 n GLY 440 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pd1 s LYS 441 N -1.89 3.62 -0.35 1.61 1.02 -0.35 -1.05 119.74 122.35 1pd1 s LYS 441 Ca 0.00 -0.55 -0.08 0.00 0.02 0.00 0.00 55.97 55.36 1pd1 s LYS 441 Cb 0.00 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1pd1 s LYS 441 CO 0.00 0.24 0.13 0.42 -0.92 0.00 0.00 175.35 175.22 1pd1 s ILE 442 N 0.36 4.02 -0.36 2.17 1.01 0.60 -1.12 121.20 127.89 1pd1 s ILE 442 Ca -0.05 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 1pd1 s ILE 442 Cb -0.14 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1pd1 s ILE 442 CO 0.03 -0.19 0.21 -0.63 0.00 0.00 0.00 174.94 174.36 1pd1 s ILE 443 N 1.45 4.76 -0.13 2.92 1.01 -0.61 -0.33 121.20 130.26 1pd1 s ILE 443 Ca -0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1pd1 s ILE 443 Cb -0.19 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1pd1 s ILE 443 CO 0.04 -0.12 0.37 -0.69 0.00 0.00 0.00 174.94 174.53 1pd1 s VAL 444 N 1.61 5.24 -0.19 2.92 1.01 0.85 -0.66 120.40 131.19 1pd1 s VAL 444 Ca 0.04 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1pd1 s VAL 444 Cb -0.18 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1pd1 s VAL 444 CO 0.07 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 1pd1 s VAL 445 N 0.36 1.84 -0.02 2.92 1.01 -0.10 -0.25 120.40 126.16 1pd1 s VAL 445 Ca 0.21 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1pd1 s VAL 445 Cb -0.14 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1pd1 s VAL 445 CO 0.07 0.33 0.37 -0.55 0.00 0.00 0.00 175.10 175.32 1pd1 s SER 446 N 1.34 -0.27 -0.13 3.32 0.15 0.03 -1.38 113.70 116.76 1pd1 s SER 446 Ca 0.01 0.19 0.22 0.00 0.70 0.00 0.00 55.95 57.06 1pd1 s SER 446 Cb -0.15 0.35 0.46 0.00 -1.71 0.00 0.00 66.02 64.96 1pd1 s SER 446 CO -0.10 -0.47 1.16 0.61 1.20 0.00 0.00 173.24 175.64 1pd1 n GLY 447 N 1.22 2.19 2.97 9.45 0.00 -1.26 -0.59 105.19 119.18 1pd1 n GLY 447 Ca -0.21 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 1pd1 n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pd1 s THR 448 N -1.93 -0.42 0.18 2.61 2.01 -1.26 -4.70 115.64 112.12 1pd1 s THR 448 Ca 0.34 0.20 -0.33 0.00 0.31 0.00 0.00 61.69 62.20 1pd1 s THR 448 Cb 0.37 -0.51 -0.13 0.00 0.01 0.00 0.00 72.50 72.24 1pd1 s THR 448 CO -0.10 0.05 1.63 -0.11 -0.69 0.00 0.00 174.62 175.41 1pd1 n LEU 449 N 5.35 3.44 -4.67 4.42 7.94 -1.26 -4.84 117.00 127.37 1pd1 n LEU 449 Ca -0.06 1.07 -0.51 0.00 -1.11 0.00 0.00 56.01 55.41 1pd1 n LEU 449 Cb 0.50 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 1pd1 n LEU 449 CO 0.03 -0.11 1.30 -2.65 -1.11 0.00 0.00 177.39 174.86 1pd1 n PRO 450 N 3.62 1.73 -0.52 1.96 -0.02 -1.26 -4.75 135.00 135.76 1pd1 n PRO 450 Ca 0.17 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 1pd1 n PRO 450 Cb 0.31 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1pd1 n PRO 450 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1pd1 n ASN 451 N 5.08 0.17 -3.69 2.55 0.23 -1.20 -0.92 115.26 117.48 1pd1 n ASN 451 Ca 0.22 -2.06 -0.14 0.00 -0.53 0.00 0.00 54.58 52.07 1pd1 n ASN 451 Cb 0.23 -0.22 -0.09 0.00 -2.08 0.00 0.00 39.78 37.63 1pd1 n ASN 451 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1pd1 s LEU 452 N -0.16 0.10 0.00 -4.53 2.96 -1.26 -4.86 118.68 110.93 1pd1 s LEU 452 Ca 0.03 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1pd1 s LEU 452 Cb 0.03 1.76 0.00 0.00 0.50 0.00 0.00 46.19 48.49 1pd1 s LEU 452 CO -0.01 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 1pd1 n GLY 453 N 2.36 -1.93 3.69 7.98 0.00 -1.26 -4.38 105.19 111.65 1pd1 n GLY 453 Ca -0.15 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1pd1 n GLY 453 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pd1 n ILE 454 N -1.12 4.34 -0.97 -0.61 3.06 -1.26 -2.79 119.36 120.01 1pd1 n ILE 454 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1pd1 n ILE 454 Cb 0.08 -1.39 0.00 0.00 0.54 0.00 0.00 39.64 38.86 1pd1 n ILE 454 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1pd1 n GLY 455 N 1.03 0.65 3.71 4.50 0.00 -1.26 -3.24 105.19 110.58 1pd1 n GLY 455 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1pd1 n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pd1 s LYS 456 N -0.18 1.94 0.25 1.61 -2.85 -1.12 -4.79 119.74 114.60 1pd1 s LYS 456 Ca 0.00 1.74 0.06 0.00 -1.00 0.00 0.00 55.97 56.77 1pd1 s LYS 456 Cb 0.00 -1.81 -0.05 0.00 -2.06 0.00 0.00 37.83 33.90 1pd1 s LYS 456 CO 0.00 -1.99 -0.06 -0.51 0.10 0.00 0.00 175.35 172.89 1pd1 s LEU 457 N -5.40 2.44 0.21 2.77 1.43 -0.10 -4.93 118.68 115.10 1pd1 s LEU 457 Ca 0.73 -1.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1pd1 s LEU 457 Cb -0.29 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 1pd1 s LEU 457 CO 0.48 -0.35 -0.11 -1.10 0.23 0.00 0.00 176.35 175.50 1pd1 s GLN 458 N -3.74 1.31 -0.00 1.70 -0.21 -1.26 -4.74 119.66 112.72 1pd1 s GLN 458 Ca 0.28 -1.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.05 1pd1 s GLN 458 Cb 0.03 -0.98 -0.04 0.00 1.00 0.00 0.00 33.01 33.02 1pd1 s GLN 458 CO 0.10 0.11 0.99 0.54 -2.12 0.00 0.00 175.29 174.91 1pd1 n ARG 459 N -0.38 0.31 -3.61 2.91 1.74 -1.26 -5.05 116.66 111.32 1pd1 n ARG 459 Ca -0.08 -0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 56.80 1pd1 n ARG 459 Cb 0.61 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1pd1 n ARG 459 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pd1 s ASP 480 N 2.88 -0.12 0.00 0.55 -1.08 -1.26 -5.24 116.67 112.39 1pd1 s ASP 480 Ca 0.10 0.03 0.21 0.00 -0.52 0.00 0.00 52.55 52.38 1pd1 s ASP 480 Cb 0.05 0.12 -0.04 0.00 -1.46 0.00 0.00 42.92 41.60 1pd1 s ASP 480 CO -0.00 -0.19 1.02 -1.54 0.52 0.00 0.00 175.17 174.98 1pd1 n SER 481 N 0.07 1.84 -0.21 -0.34 3.41 -1.26 -4.34 113.62 112.78 1pd1 n SER 481 Ca 0.00 -1.42 -0.03 0.00 -0.26 0.00 0.00 58.87 57.16 1pd1 n SER 481 Cb 0.58 0.54 0.08 0.00 -0.26 0.00 0.00 64.21 65.15 1pd1 n SER 481 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1pd1 h PHE 482 N 2.04 0.65 -0.06 7.33 3.57 -1.99 -2.05 116.94 126.42 1pd1 h PHE 482 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1pd1 h PHE 482 Cb 0.69 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1pd1 h PHE 482 CO 0.00 0.33 0.03 1.88 -2.23 0.00 0.00 178.31 178.32 1pd1 h TYR 483 N 0.66 0.08 -0.68 0.41 -1.99 -1.96 -0.66 116.97 112.84 1pd1 h TYR 483 Ca 0.27 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.04 1pd1 h TYR 483 Cb 0.13 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1pd1 h TYR 483 CO -0.08 0.16 0.45 0.87 -0.00 0.00 0.00 178.16 179.56 1pd1 h LYS 484 N -0.02 0.74 -0.01 4.88 1.57 -1.72 0.68 116.57 122.69 1pd1 h LYS 484 Ca 0.02 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1pd1 h LYS 484 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1pd1 h LYS 484 CO -0.00 0.49 -0.69 -0.91 -0.57 0.00 0.00 179.45 177.76 1pd1 h ASN 485 N 0.76 0.06 -0.49 0.86 2.35 -1.10 -2.75 115.58 115.27 1pd1 h ASN 485 Ca 0.28 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1pd1 h ASN 485 Cb 0.16 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1pd1 h ASN 485 CO -0.09 0.73 0.17 0.15 -1.65 0.00 0.00 177.43 176.74 1pd1 h PHE 486 N 0.04 0.78 -0.58 1.19 3.57 0.65 -1.20 116.94 121.39 1pd1 h PHE 486 Ca -0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1pd1 h PHE 486 Cb 1.22 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1pd1 h PHE 486 CO 0.01 0.67 0.24 1.79 -2.23 0.00 0.00 178.31 178.79 1pd1 h THR 487 N 0.66 1.20 -0.83 4.41 1.35 -1.04 0.20 112.91 118.88 1pd1 h THR 487 Ca 0.16 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1pd1 h THR 487 Cb 0.25 0.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1pd1 h THR 487 CO -0.01 0.25 0.41 0.40 -0.25 0.00 0.00 175.52 176.32 1pd1 h ILE 488 N 0.83 1.25 -0.33 6.82 2.04 -1.10 -1.91 117.51 125.12 1pd1 h ILE 488 Ca 0.20 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 1pd1 h ILE 488 Cb 0.15 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1pd1 h ILE 488 CO -0.02 0.30 -0.41 0.44 0.00 0.00 0.00 178.15 178.46 1pd1 h ASP 489 N 1.17 0.88 -0.35 1.72 3.32 -0.02 -3.07 116.42 120.07 1pd1 h ASP 489 Ca 0.29 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1pd1 h ASP 489 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1pd1 h ASP 489 CO -0.04 1.17 0.23 0.00 -1.72 0.00 0.00 179.24 178.89 1pd1 h SER 491 N 0.48 0.00 0.44 0.00 4.64 -1.26 0.52 113.55 118.37 1pd1 h SER 491 Ca 0.13 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.14 1pd1 h SER 491 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1pd1 h SER 491 CO -0.03 0.00 -1.53 0.11 -0.87 0.00 0.00 176.83 174.51 1pd1 h LYS 492 N 0.00 0.26 -0.48 4.77 1.57 -1.27 -3.36 116.57 118.07 1pd1 h LYS 492 Ca 0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pd1 h LYS 492 Cb 0.26 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pd1 h LYS 492 CO 0.00 1.14 0.00 1.33 -0.57 0.00 0.00 179.45 181.35 1pd1 n VAL 493 N -3.47 1.23 -3.31 0.50 0.24 -0.99 -5.00 118.33 107.53 1pd1 n VAL 493 Ca -0.16 -1.11 -0.16 0.00 -2.04 0.00 0.00 64.34 60.87 1pd1 n VAL 493 Cb 1.05 0.38 0.08 0.00 -1.47 0.00 0.00 33.84 33.87 1pd1 n VAL 493 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd1 n GLN 494 N 0.78 -4.30 -5.12 7.34 1.13 0.06 -3.22 117.38 114.05 1pd1 n GLN 494 Ca 0.18 0.84 -0.32 0.00 -1.94 0.00 0.00 57.00 55.76 1pd1 n GLN 494 Cb 0.58 -5.78 -0.15 0.00 0.11 0.00 0.00 30.24 25.00 1pd1 n GLN 494 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pd1 s ILE 495 N -3.37 2.49 0.06 5.09 1.01 -0.51 -1.20 121.20 124.77 1pd1 s ILE 495 Ca 0.23 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 60.04 1pd1 s ILE 495 Cb -0.03 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1pd1 s ILE 495 CO 0.72 0.58 -0.25 -0.89 0.00 0.00 0.00 174.94 175.10 1pd1 s THR 496 N -0.59 2.07 -0.13 2.92 2.01 -0.22 -4.59 115.64 117.12 1pd1 s THR 496 Ca 0.09 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.71 1pd1 s THR 496 Cb -0.11 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1pd1 s THR 496 CO 0.00 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.32 1pd1 s VAL 497 N -0.84 2.09 0.03 3.82 1.01 -1.26 -0.29 120.40 124.97 1pd1 s VAL 497 Ca 0.11 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1pd1 s VAL 497 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1pd1 s VAL 497 CO 0.02 0.55 -0.08 -1.81 0.00 0.00 0.00 175.10 173.78 1pd1 s ASP 498 N 0.64 4.50 -0.03 3.32 1.01 0.55 -3.79 116.67 122.87 1pd1 s ASP 498 Ca -0.11 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.94 1pd1 s ASP 498 Cb -0.16 -0.98 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1pd1 s ASP 498 CO 0.02 0.25 -0.09 -0.76 0.21 0.00 0.00 175.17 174.80 1pd1 s LEU 499 N -1.65 1.75 -0.28 1.23 1.43 0.24 -0.10 118.68 121.30 1pd1 s LEU 499 Ca 0.18 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1pd1 s LEU 499 Cb -0.11 -0.57 0.08 0.00 0.03 0.00 0.00 46.19 45.62 1pd1 s LEU 499 CO 0.09 0.06 -0.03 -0.36 0.23 0.00 0.00 176.35 176.34 1pd1 s PHE 500 N 0.26 3.10 -0.32 0.29 0.40 0.65 0.12 117.98 122.49 1pd1 s PHE 500 Ca -0.04 -2.37 -0.09 0.00 -0.60 0.00 0.00 56.93 53.83 1pd1 s PHE 500 Cb -0.09 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1pd1 s PHE 500 CO 0.01 -0.88 0.13 -0.51 0.70 0.00 0.00 175.22 174.67 1pd1 s LEU 501 N 1.15 4.16 -0.22 -0.37 1.43 0.75 -0.79 118.68 124.79 1pd1 s LEU 501 Ca -0.00 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1pd1 s LEU 501 Cb -0.19 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1pd1 s LEU 501 CO -0.08 -0.24 0.03 0.00 0.23 0.00 0.00 176.35 176.29 1pd1 s ALA 502 N 1.54 1.23 -0.04 4.21 0.00 0.24 0.17 121.76 129.12 1pd1 s ALA 502 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1pd1 s ALA 502 Cb -0.18 -1.28 0.11 0.00 0.00 0.00 0.00 23.12 21.77 1pd1 s ALA 502 CO 0.05 -1.24 1.04 0.45 0.00 0.00 0.00 175.76 176.06 1pd1 s SER 503 N 1.75 -0.23 0.18 0.00 0.15 -1.19 -4.01 113.70 110.35 1pd1 s SER 503 Ca -0.01 -0.08 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1pd1 s SER 503 Cb -0.17 0.30 0.41 0.00 -1.71 0.00 0.00 66.02 64.84 1pd1 s SER 503 CO -0.10 -0.51 1.41 -0.33 1.20 0.00 0.00 173.24 174.92 1pd1 h GLU 504 N 2.00 0.00 -6.74 5.44 5.08 -1.84 -2.04 114.58 116.48 1pd1 h GLU 504 Ca -0.19 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.70 1pd1 h GLU 504 Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 1pd1 h GLU 504 CO 0.27 0.00 -0.06 -0.51 -1.00 0.00 0.00 179.01 177.71 1pd1 s ASP 505 N -4.62 5.90 0.22 1.42 1.01 -1.26 -4.73 116.67 114.60 1pd1 s ASP 505 Ca 0.06 0.40 -0.32 0.00 0.71 0.00 0.00 52.55 53.40 1pd1 s ASP 505 Cb 0.12 -1.66 -0.12 0.00 1.01 0.00 0.00 42.92 42.26 1pd1 s ASP 505 CO 0.70 -0.68 1.67 0.00 0.21 0.00 0.00 175.17 177.07 1pd1 n TYR 506 N -2.11 2.68 0.21 4.23 9.36 -1.26 -4.92 117.16 125.35 1pd1 n TYR 506 Ca 0.01 0.12 0.02 0.00 3.32 0.00 0.00 57.90 61.37 1pd1 n TYR 506 Cb 0.57 -2.64 -0.03 0.00 -0.63 0.00 0.00 39.34 36.62 1pd1 n TYR 506 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1pd1 n MET 507 N 3.55 5.28 -3.33 2.98 2.81 -1.26 -4.38 117.12 122.76 1pd1 n MET 507 Ca 0.15 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.87 1pd1 n MET 507 Cb 0.34 -0.73 0.07 0.00 -0.71 0.00 0.00 33.22 32.19 1pd1 n MET 507 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1pd1 n ASP 508 N -1.13 -5.54 0.16 7.83 -0.08 -1.26 -4.77 116.55 111.76 1pd1 n ASP 508 Ca 0.01 -0.72 0.05 0.00 -1.51 0.00 0.00 54.79 52.62 1pd1 n ASP 508 Cb 0.07 -5.01 0.51 0.00 2.34 0.00 0.00 41.12 39.03 1pd1 n ASP 508 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1pd1 h VAL 509 N -1.32 1.09 -0.94 5.18 2.07 -1.88 -1.68 116.25 118.78 1pd1 h VAL 509 Ca -0.61 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 66.65 1pd1 h VAL 509 Cb 1.32 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 1pd1 h VAL 509 CO 0.46 0.11 0.58 0.00 0.02 0.00 0.00 177.57 178.75 1pd1 h ALA 510 N 1.82 1.33 0.00 1.67 0.00 -1.90 -0.68 119.26 121.51 1pd1 h ALA 510 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1pd1 h ALA 510 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pd1 h ALA 510 CO 0.00 0.29 -0.54 1.03 0.00 0.00 0.00 179.25 180.03 1pd1 h SER 511 N 1.01 0.00 0.37 0.00 0.87 -1.72 -3.38 113.55 110.70 1pd1 h SER 511 Ca 0.43 -0.67 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1pd1 h SER 511 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1pd1 h SER 511 CO -0.21 1.15 -0.15 -0.07 -0.53 0.00 0.00 176.83 177.02 1pd1 h LEU 512 N -1.00 0.00 -1.56 2.23 3.38 -1.33 -2.59 115.31 114.44 1pd1 h LEU 512 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pd1 h LEU 512 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pd1 h LEU 512 CO -0.09 0.15 0.00 0.77 0.09 0.00 0.00 178.44 179.36 1pd1 h SER 513 N 0.00 0.00 0.55 -0.43 4.64 -1.29 -1.63 113.55 115.39 1pd1 h SER 513 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1pd1 h SER 513 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1pd1 h SER 513 CO 0.02 0.00 -0.44 0.78 -0.87 0.00 0.00 176.83 176.32 1pd1 h ASN 514 N 0.00 0.00 -0.06 4.97 2.35 -1.67 -0.68 115.58 120.49 1pd1 h ASN 514 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1pd1 h ASN 514 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1pd1 h ASN 514 CO 0.00 0.44 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.15 1pd1 h LEU 515 N 0.00 -0.03 0.12 1.61 3.38 -1.48 -2.49 115.31 116.43 1pd1 h LEU 515 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pd1 h LEU 515 Cb 0.84 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1pd1 h LEU 515 CO 0.06 -0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.29 1pd1 h SER 516 N 0.02 -0.14 -1.00 -0.43 4.64 -1.65 -3.24 113.55 111.75 1pd1 h SER 516 Ca 0.03 -0.42 0.19 0.00 -0.47 0.00 0.00 61.79 61.12 1pd1 h SER 516 Cb 0.03 0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 61.98 1pd1 h SER 516 CO -0.05 0.43 -0.28 -1.14 -0.87 0.00 0.00 176.83 174.93 1pd1 n ARG 517 N -4.89 -0.12 -0.29 4.77 0.63 -0.27 -0.38 116.66 116.11 1pd1 n ARG 517 Ca -0.08 1.55 0.07 0.00 -0.92 0.00 0.00 57.85 58.47 1pd1 n ARG 517 Cb 0.28 -2.32 0.22 0.00 0.45 0.00 0.00 32.46 31.09 1pd1 n ARG 517 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1pd1 n PHE 518 N -5.60 0.74 -0.47 -0.14 3.01 -0.94 -1.56 117.46 112.50 1pd1 n PHE 518 Ca 0.15 -0.34 0.02 0.00 1.01 0.00 0.00 57.45 58.29 1pd1 n PHE 518 Cb 0.48 -0.06 0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1pd1 n PHE 518 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1pd1 n THR 519 N 0.80 0.95 -0.96 4.37 -2.24 0.49 -4.08 114.28 113.60 1pd1 n THR 519 Ca 0.16 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1pd1 n THR 519 Cb 0.47 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1pd1 n THR 519 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pd1 n ALA 520 N -0.57 0.00 -1.52 6.98 0.00 -0.74 -4.31 120.51 120.36 1pd1 n ALA 520 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pd1 n ALA 520 Cb 0.39 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1pd1 n ALA 520 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pd1 n GLY 521 N -1.01 1.22 3.30 0.00 0.00 -0.78 -4.48 105.19 103.44 1pd1 n GLY 521 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1pd1 n GLY 521 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pd1 s GLN 522 N 1.94 0.95 -0.10 1.61 2.00 -1.25 -4.48 119.66 120.33 1pd1 s GLN 522 Ca 0.00 -0.52 0.03 0.00 -2.00 0.00 0.00 55.36 52.87 1pd1 s GLN 522 Cb 0.00 0.42 -0.01 0.00 0.80 0.00 0.00 33.01 34.22 1pd1 s GLN 522 CO 0.00 -0.34 -0.20 0.99 -0.50 0.00 0.00 175.29 175.24 1pd1 s THR 523 N -2.98 2.41 -0.15 -0.34 2.01 -1.26 -0.59 115.64 114.74 1pd1 s THR 523 Ca -0.02 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1pd1 s THR 523 Cb 0.00 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1pd1 s THR 523 CO -0.06 0.55 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.22 1pd1 s HIS 524 N 0.23 2.70 -0.17 4.92 3.76 0.33 -4.95 115.29 122.11 1pd1 s HIS 524 Ca -0.13 -1.30 -0.02 0.00 -0.15 0.00 0.00 55.06 53.45 1pd1 s HIS 524 Cb -0.16 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1pd1 s HIS 524 CO 0.07 -0.60 -0.08 0.12 -0.85 0.00 0.00 174.74 173.40 1pd1 s PHE 525 N 0.85 2.92 -0.71 1.40 5.36 -1.26 -0.18 117.98 126.36 1pd1 s PHE 525 Ca -0.06 -0.69 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 1pd1 s PHE 525 Cb -0.15 -1.97 0.17 0.00 -0.34 0.00 0.00 43.02 40.73 1pd1 s PHE 525 CO -0.02 -0.31 0.51 0.71 -1.46 0.00 0.00 175.22 174.66 1pd1 s TYR 526 N 0.79 3.57 0.23 10.12 1.51 0.13 -4.98 117.35 128.72 1pd1 s TYR 526 Ca -0.03 -3.19 -0.30 0.00 -1.01 0.00 0.00 57.07 52.54 1pd1 s TYR 526 Cb -0.15 -2.90 -0.15 0.00 -0.11 0.00 0.00 41.96 38.66 1pd1 s TYR 526 CO 0.01 -0.65 1.12 -2.30 -1.11 0.00 0.00 175.55 172.62 1pd1 n PRO 527 N 2.39 1.35 -1.58 -1.71 -0.02 -1.26 -2.27 135.00 131.89 1pd1 n PRO 527 Ca 0.16 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.96 1pd1 n PRO 527 Cb 0.35 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1pd1 n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pd1 n GLY 528 N 1.67 1.27 3.60 -1.23 0.00 -0.76 -4.89 105.19 104.84 1pd1 n GLY 528 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1pd1 n GLY 528 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pd1 n PHE 529 N -2.25 1.43 -3.60 1.61 7.35 -0.96 -4.71 117.46 116.34 1pd1 n PHE 529 Ca -0.16 0.66 -0.01 0.00 -0.76 0.00 0.00 57.45 57.18 1pd1 n PHE 529 Cb 0.54 -2.29 -0.04 0.00 0.35 0.00 0.00 39.48 38.03 1pd1 n PHE 529 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pd1 s SER 530 N -0.29 -1.01 0.66 -2.13 0.15 -1.26 -4.20 113.70 105.63 1pd1 s SER 530 Ca 0.64 1.40 0.34 0.00 0.70 0.00 0.00 55.95 59.03 1pd1 s SER 530 Cb -0.73 2.11 1.87 0.00 -1.71 0.00 0.00 66.02 67.56 1pd1 s SER 530 CO 0.57 -0.20 2.05 1.23 1.20 0.00 0.00 173.24 178.09 1pd1 h GLY 531 N 7.82 0.00 2.00 9.45 0.00 0.11 -0.34 103.07 122.11 1pd1 h GLY 531 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1pd1 h GLY 531 CO 0.10 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.11 1pd1 h LYS 532 N 0.00 0.00 -4.09 4.80 1.57 -1.91 -3.35 116.57 113.58 1pd1 h LYS 532 Ca 0.00 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 1pd1 h LYS 532 Cb 0.46 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.50 1pd1 h LYS 532 CO 0.00 0.03 -0.24 -0.80 -0.57 0.00 0.00 179.45 177.87 1pd1 s ASN 533 N -5.59 6.05 0.52 0.86 0.01 -0.14 -4.95 114.94 111.70 1pd1 s ASN 533 Ca -0.03 -2.05 0.45 0.00 -0.71 0.00 0.00 52.86 50.53 1pd1 s ASN 533 Cb 0.12 -2.12 1.67 0.00 0.41 0.00 0.00 41.25 41.33 1pd1 s ASN 533 CO 0.50 -0.72 1.58 -0.65 -1.51 0.00 0.00 177.10 176.29 1pd1 h PRO 534 N 8.44 0.00 0.00 -0.60 0.11 -1.84 0.63 132.00 138.74 1pd1 h PRO 534 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1pd1 h PRO 534 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1pd1 h PRO 534 CO 0.91 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.79 1pd1 h ASN 535 N 0.00 0.00 -0.43 -2.05 2.35 -1.92 -3.11 115.58 110.43 1pd1 h ASN 535 Ca 0.93 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.54 1pd1 h ASN 535 Cb 3.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 41.86 1pd1 h ASN 535 CO -0.15 0.00 -0.26 0.44 -1.65 0.00 0.00 177.43 175.80 1pd1 h ASP 536 N 0.00 0.99 -0.27 5.81 5.19 0.01 -2.97 116.42 125.19 1pd1 h ASP 536 Ca 0.00 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1pd1 h ASP 536 Cb 0.78 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1pd1 h ASP 536 CO 0.00 1.18 0.15 0.40 -3.12 0.00 0.00 179.24 177.85 1pd1 h ILE 537 N 0.81 1.12 -0.60 0.35 1.08 -1.60 -2.46 117.51 116.20 1pd1 h ILE 537 Ca 0.10 -0.30 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1pd1 h ILE 537 Cb 0.84 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.36 1pd1 h ILE 537 CO 0.07 0.11 0.24 0.58 -0.69 0.00 0.00 178.15 178.47 1pd1 h VAL 538 N 0.32 0.81 0.13 1.67 2.07 -1.53 -0.51 116.25 119.21 1pd1 h VAL 538 Ca 0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1pd1 h VAL 538 Cb 0.05 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1pd1 h VAL 538 CO -0.02 0.08 -0.06 0.50 0.02 0.00 0.00 177.57 178.09 1pd1 h LYS 539 N 0.44 -0.17 -0.09 1.57 3.64 -1.36 -2.15 116.57 118.44 1pd1 h LYS 539 Ca 0.30 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1pd1 h LYS 539 Cb 0.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1pd1 h LYS 539 CO -0.28 0.11 0.01 0.35 -2.27 0.00 0.00 179.45 177.36 1pd1 h PHE 540 N -0.45 0.01 -0.24 1.91 3.57 -1.19 -1.95 116.94 118.59 1pd1 h PHE 540 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1pd1 h PHE 540 Cb 0.36 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1pd1 h PHE 540 CO 0.01 0.00 0.12 0.77 -2.23 0.00 0.00 178.31 176.98 1pd1 h SER 541 N 0.04 0.31 0.07 0.41 0.02 -1.16 0.19 113.55 113.43 1pd1 h SER 541 Ca 0.04 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1pd1 h SER 541 Cb 0.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1pd1 h SER 541 CO -0.06 0.34 -0.18 0.74 -1.14 0.00 0.00 176.83 176.54 1pd1 h THR 542 N 0.26 0.59 -0.53 -2.27 2.02 -1.32 0.25 112.91 111.91 1pd1 h THR 542 Ca 0.08 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 1pd1 h THR 542 Cb 0.11 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1pd1 h THR 542 CO -0.01 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.41 1pd1 h GLU 543 N -0.32 1.01 -0.13 6.66 5.08 -1.28 -0.93 114.58 124.67 1pd1 h GLU 543 Ca 0.03 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 1pd1 h GLU 543 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1pd1 h GLU 543 CO -0.12 1.07 -0.30 0.35 -1.00 0.00 0.00 179.01 179.02 1pd1 h PHE 544 N 0.89 0.27 0.02 4.33 3.57 -0.41 -0.15 116.94 125.47 1pd1 h PHE 544 Ca 0.13 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1pd1 h PHE 544 Cb 0.70 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1pd1 h PHE 544 CO 0.05 0.52 -0.01 0.00 -2.23 0.00 0.00 178.31 176.64 1pd1 h ALA 545 N 1.48 -0.02 -0.78 2.41 0.00 -0.30 -2.06 119.26 119.99 1pd1 h ALA 545 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pd1 h ALA 545 Cb 0.64 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1pd1 h ALA 545 CO 0.05 -0.22 0.50 0.87 0.00 0.00 0.00 179.25 180.45 1pd1 h LYS 546 N -0.61 1.03 -0.40 0.00 1.57 -1.06 -0.40 116.57 116.71 1pd1 h LYS 546 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1pd1 h LYS 546 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1pd1 h LYS 546 CO 0.00 0.69 0.15 1.25 -0.57 0.00 0.00 179.45 180.98 1pd1 h HIS 547 N 1.06 0.61 0.00 -1.35 2.76 -1.00 -1.21 115.15 116.02 1pd1 h HIS 547 Ca 0.28 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1pd1 h HIS 547 Cb -0.10 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1pd1 h HIS 547 CO 0.00 0.55 -0.23 -0.84 -1.30 0.00 0.00 177.93 176.10 1pd1 h ILE 548 N 0.50 0.50 0.00 6.26 3.07 -0.84 -2.76 117.51 124.23 1pd1 h ILE 548 Ca 0.13 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 65.27 1pd1 h ILE 548 Cb 0.20 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1pd1 h ILE 548 CO -0.01 0.23 -0.12 -1.54 -1.05 0.00 0.00 178.15 175.66 1pd1 n SER 549 N -3.30 0.81 -4.75 2.16 3.41 -0.21 -4.25 113.62 107.50 1pd1 n SER 549 Ca 0.01 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 1pd1 n SER 549 Cb 0.49 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1pd1 n SER 549 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1pd1 s MET 550 N -3.12 4.25 0.68 4.33 -2.45 -0.49 -4.45 119.30 118.06 1pd1 s MET 550 Ca 0.10 2.34 -0.13 0.00 -1.25 0.00 0.00 55.69 56.75 1pd1 s MET 550 Cb 0.12 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 33.11 1pd1 s MET 550 CO 0.62 -0.44 1.07 -0.51 1.05 0.00 0.00 175.02 176.82 1pd1 s ASP 551 N 0.33 5.29 0.11 1.11 -0.00 -0.56 -4.81 116.67 118.13 1pd1 s ASP 551 Ca 0.59 1.77 -0.25 0.00 -0.00 0.00 0.00 52.55 54.65 1pd1 s ASP 551 Cb -0.43 -2.52 0.07 0.00 -0.00 0.00 0.00 42.92 40.05 1pd1 s ASP 551 CO 0.45 -1.50 0.78 0.72 -0.00 0.00 0.00 175.17 175.61 1pd1 s PHE 552 N -2.75 -0.36 0.35 4.23 -0.12 -1.26 -4.21 117.98 113.86 1pd1 s PHE 552 Ca 0.61 0.13 0.07 0.00 -0.05 0.00 0.00 56.93 57.70 1pd1 s PHE 552 Cb -0.16 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1pd1 s PHE 552 CO 0.48 -0.78 0.41 0.00 -0.05 0.00 0.00 175.22 175.28 1pd1 s MET 554 N -4.13 0.91 -1.47 0.00 -1.94 0.46 -1.64 119.30 111.50 1pd1 s MET 554 Ca 0.45 -1.17 -0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1pd1 s MET 554 Cb -0.08 -0.69 0.02 0.00 2.01 0.00 0.00 34.83 36.09 1pd1 s MET 554 CO 0.29 0.12 0.37 0.39 -0.01 0.00 0.00 175.02 176.19 1pd1 n GLU 555 N 0.59 -2.78 -3.95 2.03 1.02 -0.57 -1.69 120.64 115.30 1pd1 n GLU 555 Ca -0.16 0.33 -0.32 0.00 -0.02 0.00 0.00 57.16 56.99 1pd1 n GLU 555 Cb 0.57 -4.40 -0.05 0.00 -0.02 0.00 0.00 31.44 27.54 1pd1 n GLU 555 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1pd1 s THR 556 N -3.97 5.24 0.00 2.62 2.01 -0.19 -4.36 115.64 117.00 1pd1 s THR 556 Ca 0.09 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1pd1 s THR 556 Cb -0.05 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 1pd1 s THR 556 CO 0.92 0.27 -0.04 0.68 -0.69 0.00 0.00 174.62 175.75 1pd1 s VAL 557 N -1.36 0.29 -0.01 3.82 -7.23 -0.10 0.04 120.40 115.85 1pd1 s VAL 557 Ca 0.29 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1pd1 s VAL 557 Cb -0.13 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.53 1pd1 s VAL 557 CO 0.21 -0.01 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.56 1pd1 s MET 558 N -0.32 0.95 0.05 4.82 1.75 0.78 -1.60 119.30 125.73 1pd1 s MET 558 Ca -0.01 -0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 53.93 1pd1 s MET 558 Cb -0.03 -0.91 0.01 0.00 2.84 0.00 0.00 34.83 36.74 1pd1 s MET 558 CO -0.00 0.23 0.22 0.50 -0.65 0.00 0.00 175.02 175.31 1pd1 s ARG 559 N -0.19 0.76 -0.08 4.11 3.52 -0.76 -0.75 118.95 125.56 1pd1 s ARG 559 Ca 0.03 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1pd1 s ARG 559 Cb -0.05 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 1pd1 s ARG 559 CO -0.00 -0.23 -0.20 0.00 -0.81 0.00 0.00 175.30 174.05 1pd1 s ALA 560 N -2.91 1.85 -0.17 6.12 0.00 -1.26 -0.50 121.76 124.89 1pd1 s ALA 560 Ca -0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1pd1 s ALA 560 Cb 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1pd1 s ALA 560 CO -0.06 0.26 0.01 1.03 0.00 0.00 0.00 175.76 177.00 1pd1 s ARG 561 N 0.31 3.82 0.14 0.00 0.52 0.32 -4.82 118.95 119.24 1pd1 s ARG 561 Ca -0.14 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 1pd1 s ARG 561 Cb -0.16 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1pd1 s ARG 561 CO 0.06 0.26 0.13 0.20 0.02 0.00 0.00 175.30 175.97 1pd1 s GLY 562 N 0.35 1.79 0.88 -3.53 0.00 -1.26 -0.57 107.32 104.99 1pd1 s GLY 562 Ca -0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1pd1 s GLY 562 CO 0.02 -1.16 1.09 -1.35 0.00 0.00 0.00 173.10 171.70 1pd1 s SER 563 N -2.93 3.56 -0.29 1.64 1.04 0.46 -4.72 113.70 112.46 1pd1 s SER 563 Ca 0.31 1.55 -0.44 0.00 0.48 0.00 0.00 55.95 57.84 1pd1 s SER 563 Cb -0.11 -2.22 -0.20 0.00 0.10 0.00 0.00 66.02 63.59 1pd1 s SER 563 CO 0.23 -2.59 1.39 0.41 0.98 0.00 0.00 173.24 173.66 1pd1 n THR 564 N -3.86 0.01 0.00 2.02 -1.04 0.47 -0.72 114.28 111.16 1pd1 n THR 564 Ca 0.07 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1pd1 n THR 564 Cb 0.55 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1pd1 n THR 564 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pd1 n GLY 565 N 3.00 3.15 3.82 3.41 0.00 -1.26 -4.77 105.19 112.54 1pd1 n GLY 565 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1pd1 n GLY 565 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pd1 s LEU 566 N 0.00 4.34 -0.00 0.99 1.43 0.10 -1.22 118.68 124.31 1pd1 s LEU 566 Ca 0.00 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1pd1 s LEU 566 Cb 0.00 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1pd1 s LEU 566 CO 0.00 0.30 -0.07 -0.60 0.23 0.00 0.00 176.35 176.21 1pd1 s ARG 567 N -0.50 0.60 -0.43 1.70 3.52 -0.42 -4.45 118.95 118.97 1pd1 s ARG 567 Ca 0.15 -0.29 -0.21 0.00 -0.13 0.00 0.00 55.73 55.25 1pd1 s ARG 567 Cb -0.12 -0.57 0.02 0.00 -1.56 0.00 0.00 34.95 32.71 1pd1 s ARG 567 CO 0.04 0.16 0.68 -1.64 -0.81 0.00 0.00 175.30 173.72 1pd1 s MET 568 N -0.23 3.39 -0.19 5.12 -1.94 -1.26 -0.58 119.30 123.60 1pd1 s MET 568 Ca 0.02 -0.22 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 1pd1 s MET 568 Cb -0.03 -3.92 -0.22 0.00 2.01 0.00 0.00 34.83 32.67 1pd1 s MET 568 CO -0.00 -0.99 0.07 -1.13 -0.01 0.00 0.00 175.02 172.96 1pd1 n SER 569 N 6.34 1.11 -4.19 3.03 3.41 -0.53 -4.95 113.62 117.84 1pd1 n SER 569 Ca -0.00 0.03 -0.17 0.00 -0.26 0.00 0.00 58.87 58.46 1pd1 n SER 569 Cb 0.48 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 1pd1 n SER 569 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pd1 s ARG 570 N -2.52 0.88 -0.06 4.33 1.81 -1.23 -4.98 118.95 117.18 1pd1 s ARG 570 Ca -0.20 -1.08 -0.00 0.00 -1.72 0.00 0.00 55.73 52.72 1pd1 s ARG 570 Cb 0.07 -0.78 0.03 0.00 -0.45 0.00 0.00 34.95 33.82 1pd1 s ARG 570 CO 0.74 0.15 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.43 1pd1 s PHE 571 N -1.80 0.73 0.16 -0.53 0.40 -1.26 -1.29 117.98 114.39 1pd1 s PHE 571 Ca 0.03 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.25 1pd1 s PHE 571 Cb -0.07 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1pd1 s PHE 571 CO 0.02 -0.29 -0.22 0.71 0.70 0.00 0.00 175.22 176.14 1pd1 s TYR 572 N 1.60 2.40 0.00 0.36 1.51 0.10 -5.00 117.35 118.32 1pd1 s TYR 572 Ca -0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1pd1 s TYR 572 Cb -0.13 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1pd1 s TYR 572 CO -0.04 0.43 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 1pd1 n GLY 573 N 0.52 2.19 3.58 0.71 0.00 -1.26 -1.91 105.19 109.02 1pd1 n GLY 573 Ca -0.14 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 1pd1 n GLY 573 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pd1 s HIS 574 N -1.71 2.96 -0.04 1.61 3.76 -1.26 -4.93 115.29 115.68 1pd1 s HIS 574 Ca 0.00 0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 55.21 1pd1 s HIS 574 Cb 0.00 -3.91 0.07 0.00 1.11 0.00 0.00 32.58 29.85 1pd1 s HIS 574 CO 0.00 -1.03 0.96 1.97 -0.85 0.00 0.00 174.74 175.78 1pd1 n PHE 575 N 7.09 -0.18 -3.96 1.40 1.16 -0.60 -4.07 117.46 118.31 1pd1 n PHE 575 Ca 0.07 -0.45 -0.35 0.00 -1.87 0.00 0.00 57.45 54.85 1pd1 n PHE 575 Cb 0.48 0.20 -0.14 0.00 -1.61 0.00 0.00 39.48 38.41 1pd1 n PHE 575 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1pd1 s PHE 576 N -2.18 2.92 -0.13 2.97 5.36 0.58 -4.36 117.98 123.14 1pd1 s PHE 576 Ca 0.23 -1.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.03 1pd1 s PHE 576 Cb -0.00 -2.06 0.06 0.00 -0.34 0.00 0.00 43.02 40.67 1pd1 s PHE 576 CO -0.01 -0.61 0.28 1.21 -1.46 0.00 0.00 175.22 174.62 1pd1 s ASN 577 N 1.43 -0.01 0.00 6.13 3.84 -1.26 -0.38 114.94 124.70 1pd1 s ASN 577 Ca 0.06 0.61 0.00 0.00 0.21 0.00 0.00 52.86 53.74 1pd1 s ASN 577 Cb -0.14 0.62 0.00 0.00 -0.55 0.00 0.00 41.25 41.18 1pd1 s ASN 577 CO -0.06 -0.21 0.00 0.54 -2.79 0.00 0.00 177.10 174.59 1pd1 n ARG 578 N 4.80 0.00 -2.52 0.43 1.74 -1.26 -4.95 116.66 114.90 1pd1 n ARG 578 Ca -0.16 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.88 1pd1 n ARG 578 Cb 0.51 -0.16 0.04 0.00 -1.02 0.00 0.00 32.46 31.83 1pd1 n ARG 578 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pd1 n SER 579 N -2.03 2.26 -2.01 0.55 7.64 -1.26 -5.08 113.62 113.68 1pd1 n SER 579 Ca 0.00 -2.43 -0.09 0.00 1.01 0.00 0.00 58.87 57.36 1pd1 n SER 579 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 1pd1 n SER 579 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pd1 n SER 580 N -0.56 -0.16 -1.40 6.43 3.41 -1.26 -5.01 113.62 115.07 1pd1 n SER 580 Ca 0.15 -1.94 0.11 0.00 -0.26 0.00 0.00 58.87 56.93 1pd1 n SER 580 Cb 0.86 0.69 0.33 0.00 -0.26 0.00 0.00 64.21 65.83 1pd1 n SER 580 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pd1 n ASP 581 N -2.37 4.14 -4.51 4.04 5.75 -1.26 -4.91 116.55 117.42 1pd1 n ASP 581 Ca 0.03 -2.10 -0.34 0.00 -0.01 0.00 0.00 54.79 52.36 1pd1 n ASP 581 Cb 0.26 -0.51 -0.12 0.00 -1.03 0.00 0.00 41.12 39.72 1pd1 n ASP 581 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1pd1 s LEU 582 N -1.19 3.38 -0.26 -2.12 2.96 -1.26 -4.48 118.68 115.71 1pd1 s LEU 582 Ca 0.49 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1pd1 s LEU 582 Cb 0.27 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1pd1 s LEU 582 CO 0.31 0.13 0.12 0.00 -1.32 0.00 0.00 176.35 175.60 1pd1 s ALA 584 N 1.60 3.70 -0.28 0.00 0.00 0.49 -0.16 121.76 127.11 1pd1 s ALA 584 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1pd1 s ALA 584 Cb -0.15 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.86 1pd1 s ALA 584 CO 0.07 0.20 -0.07 -0.06 0.00 0.00 0.00 175.76 175.90 1pd1 s PHE 585 N 0.24 3.38 0.47 0.00 0.40 0.11 -0.31 117.98 122.27 1pd1 s PHE 585 Ca 0.10 -2.49 0.18 0.00 -0.60 0.00 0.00 56.93 54.11 1pd1 s PHE 585 Cb -0.11 -2.18 1.17 0.00 0.51 0.00 0.00 43.02 42.41 1pd1 s PHE 585 CO -0.01 -0.90 2.00 0.77 0.70 0.00 0.00 175.22 177.78 1pd1 h SER 586 N 7.73 0.21 -4.32 1.36 0.02 -1.79 -0.47 113.55 116.29 1pd1 h SER 586 Ca -0.15 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 1pd1 h SER 586 Cb 1.04 -0.04 -0.23 0.00 0.14 0.00 0.00 62.40 63.31 1pd1 h SER 586 CO 0.47 0.13 -0.34 0.42 -1.14 0.00 0.00 176.83 176.37 1pd1 s THR 587 N -5.24 0.03 -0.27 -2.27 -4.23 -1.26 -1.51 115.64 100.90 1pd1 s THR 587 Ca -0.07 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1pd1 s THR 587 Cb 0.19 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.55 1pd1 s THR 587 CO 0.74 -0.12 0.02 -0.32 -0.54 0.00 0.00 174.62 174.40 1pd1 s MET 588 N -0.47 3.03 0.00 3.99 1.75 -0.65 -4.75 119.30 122.20 1pd1 s MET 588 Ca -0.06 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.51 1pd1 s MET 588 Cb -0.04 -3.20 0.00 0.00 2.84 0.00 0.00 34.83 34.43 1pd1 s MET 588 CO 0.02 -0.40 0.00 -0.35 -0.65 0.00 0.00 175.02 173.64 1pd1 n PRO 589 N 4.79 -0.53 -0.00 4.11 -0.04 -1.26 -2.10 135.00 139.96 1pd1 n PRO 589 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1pd1 n PRO 589 Cb 0.48 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.93 1pd1 n PRO 589 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pd1 n ARG 590 N -1.22 1.57 -0.55 0.54 5.12 -1.26 -4.79 116.66 116.07 1pd1 n ARG 590 Ca 0.00 -0.01 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1pd1 n ARG 590 Cb 0.00 -1.03 0.26 0.00 -1.16 0.00 0.00 32.46 30.54 1pd1 n ARG 590 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1pd1 n ASP 591 N -1.74 3.93 -4.63 0.55 5.75 -1.26 -4.64 116.55 114.50 1pd1 n ASP 591 Ca -0.01 -2.52 -0.29 0.00 -0.01 0.00 0.00 54.79 51.96 1pd1 n ASP 591 Cb 0.23 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 1pd1 n ASP 591 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1pd1 s GLN 592 N -2.04 2.00 0.16 0.11 -0.21 -1.26 -4.49 119.66 113.93 1pd1 s GLN 592 Ca 0.36 -2.17 0.03 0.00 0.02 0.00 0.00 55.36 53.60 1pd1 s GLN 592 Cb 0.26 -1.51 -0.05 0.00 1.00 0.00 0.00 33.01 32.71 1pd1 s GLN 592 CO 0.13 -0.16 -0.06 0.45 -2.12 0.00 0.00 175.29 173.53 1pd1 s SER 593 N -3.73 1.60 0.18 5.90 0.15 -0.44 -4.76 113.70 112.59 1pd1 s SER 593 Ca 0.27 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.84 1pd1 s SER 593 Cb 0.07 0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1pd1 s SER 593 CO 0.14 -0.43 0.03 -0.31 1.20 0.00 0.00 173.24 173.86 1pd1 s TYR 594 N -3.45 1.19 -0.07 3.44 1.51 -0.03 -4.66 117.35 115.27 1pd1 s TYR 594 Ca 0.20 -1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 55.14 1pd1 s TYR 594 Cb 0.04 -0.68 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1pd1 s TYR 594 CO 0.02 -0.29 0.16 -1.17 -1.11 0.00 0.00 175.55 173.16 1pd1 s LEU 595 N -3.17 0.87 -0.09 -1.29 0.20 -0.80 -0.58 118.68 113.82 1pd1 s LEU 595 Ca 0.26 0.32 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1pd1 s LEU 595 Cb 0.07 0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 46.25 1pd1 s LEU 595 CO 0.05 -0.13 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.45 1pd1 s PHE 596 N 0.91 2.68 -0.02 5.38 0.40 -0.55 0.03 117.98 126.81 1pd1 s PHE 596 Ca -0.07 -0.61 -0.15 0.00 -0.60 0.00 0.00 56.93 55.50 1pd1 s PHE 596 Cb -0.09 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1pd1 s PHE 596 CO -0.05 -0.15 0.42 -2.00 0.70 0.00 0.00 175.22 174.14 1pd1 s GLU 597 N 0.01 4.00 -0.12 0.44 2.12 -0.41 0.45 118.70 125.19 1pd1 s GLU 597 Ca -0.06 0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.72 1pd1 s GLU 597 Cb -0.15 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 1pd1 s GLU 597 CO 0.05 0.60 -0.20 0.08 -0.54 0.00 0.00 175.26 175.25 1pd1 s VAL 598 N -0.79 2.41 -0.10 3.70 1.01 0.65 -1.45 120.40 125.83 1pd1 s VAL 598 Ca 0.24 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1pd1 s VAL 598 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1pd1 s VAL 598 CO 0.13 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.94 1pd1 s ASN 599 N 0.43 4.91 -0.41 3.32 -0.87 0.25 -4.55 114.94 118.02 1pd1 s ASN 599 Ca -0.14 0.01 -0.16 0.00 -1.57 0.00 0.00 52.86 51.00 1pd1 s ASN 599 Cb -0.17 -1.45 0.02 0.00 -0.02 0.00 0.00 41.25 39.62 1pd1 s ASN 599 CO 0.06 0.31 0.34 -0.69 -2.57 0.00 0.00 177.10 174.55 1pd1 s VAL 600 N -0.50 5.21 0.00 1.60 1.01 -1.26 -1.30 120.40 125.16 1pd1 s VAL 600 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1pd1 s VAL 600 Cb -0.12 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1pd1 s VAL 600 CO 0.02 -0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.27 1pd1 n ASP 601 N 5.29 0.00 -4.89 3.32 8.00 -0.36 -4.44 116.55 123.48 1pd1 n ASP 601 Ca -0.10 0.20 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 1pd1 n ASP 601 Cb 0.47 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1pd1 n ASP 601 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pd1 s GLU 602 N -0.68 3.52 0.15 -1.24 2.02 -1.25 -4.68 118.70 116.53 1pd1 s GLU 602 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 1pd1 s GLU 602 Cb 0.00 -2.20 -0.07 0.00 0.10 0.00 0.00 34.13 31.96 1pd1 s GLU 602 CO 0.00 -0.45 1.13 -1.12 0.02 0.00 0.00 175.26 174.84 1pd1 s SER 603 N -4.16 7.20 0.24 -0.19 0.01 -1.26 -4.70 113.70 110.84 1pd1 s SER 603 Ca 0.52 2.08 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 1pd1 s SER 603 Cb -0.11 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1pd1 s SER 603 CO 0.50 -0.30 1.11 -0.63 0.41 0.00 0.00 173.24 174.33 1pd1 s ILE 604 N 0.12 3.60 -0.13 1.44 1.01 -0.27 -4.93 121.20 122.05 1pd1 s ILE 604 Ca 0.52 1.51 0.14 0.00 0.00 0.00 0.00 60.65 62.83 1pd1 s ILE 604 Cb -0.29 -3.97 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 1pd1 s ILE 604 CO 0.34 0.32 0.12 0.23 0.00 0.00 0.00 174.94 175.95 1pd1 n MET 605 N 1.67 1.27 -1.89 2.79 2.81 -1.26 -4.84 117.12 117.68 1pd1 n MET 605 Ca 0.01 -0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.55 1pd1 n MET 605 Cb 0.45 -1.40 0.04 0.00 -0.71 0.00 0.00 33.22 31.60 1pd1 n MET 605 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pd1 s ALA 606 N -2.54 2.95 -1.97 3.04 0.00 -1.26 -4.93 121.76 117.05 1pd1 s ALA 606 Ca -0.07 -0.28 0.29 0.00 0.00 0.00 0.00 51.96 51.89 1pd1 s ALA 606 Cb 0.06 -3.04 1.71 0.00 0.00 0.00 0.00 23.12 21.85 1pd1 s ALA 606 CO 0.65 -1.02 2.06 -0.25 0.00 0.00 0.00 175.76 177.19 1pd1 n ASP 607 N -2.94 0.00 -3.83 0.00 8.00 -1.26 -4.70 116.55 111.82 1pd1 n ASP 607 Ca 0.07 -0.87 -0.12 0.00 0.71 0.00 0.00 54.79 54.58 1pd1 n ASP 607 Cb 0.56 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1pd1 n ASP 607 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pd1 s TYR 608 N -2.03 -0.02 0.22 1.24 1.51 -1.26 -0.51 117.35 116.50 1pd1 s TYR 608 Ca 0.43 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.48 1pd1 s TYR 608 Cb 0.20 -0.00 -0.05 0.00 -0.11 0.00 0.00 41.96 42.00 1pd1 s TYR 608 CO 0.34 -0.35 -0.02 0.00 -1.11 0.00 0.00 175.55 174.41 1pd1 s TYR 610 N -3.40 0.43 -0.02 0.00 1.51 -1.26 -1.89 117.35 112.72 1pd1 s TYR 610 Ca 0.27 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1pd1 s TYR 610 Cb 0.05 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1pd1 s TYR 610 CO 0.07 -0.47 -0.00 0.08 -1.11 0.00 0.00 175.55 174.12 1pd1 s VAL 611 N -3.92 0.13 -0.13 0.71 1.01 -0.74 -0.40 120.40 117.06 1pd1 s VAL 611 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1pd1 s VAL 611 Cb 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1pd1 s VAL 611 CO -0.08 0.10 -0.04 -1.58 0.00 0.00 0.00 175.10 173.49 1pd1 s GLN 612 N 0.62 1.19 -0.08 2.72 0.74 0.27 -0.73 119.66 124.39 1pd1 s GLN 612 Ca -0.06 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 54.91 1pd1 s GLN 612 Cb -0.09 -1.62 -0.05 0.00 1.10 0.00 0.00 33.01 32.36 1pd1 s GLN 612 CO -0.01 -0.36 0.48 0.08 -0.55 0.00 0.00 175.29 174.92 1pd1 s VAL 613 N 1.77 5.11 -0.07 1.34 1.01 0.53 -0.52 120.40 129.57 1pd1 s VAL 613 Ca 0.03 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1pd1 s VAL 613 Cb -0.14 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1pd1 s VAL 613 CO -0.07 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.24 1pd1 s ALA 614 N 0.15 1.69 -0.23 5.51 0.00 0.34 -1.13 121.76 128.09 1pd1 s ALA 614 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1pd1 s ALA 614 Cb -0.16 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.38 1pd1 s ALA 614 CO 0.12 0.23 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 1pd1 s VAL 615 N 0.34 1.47 -0.29 0.00 1.01 -0.08 -1.83 120.40 121.02 1pd1 s VAL 615 Ca -0.13 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 1pd1 s VAL 615 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1pd1 s VAL 615 CO 0.05 -0.10 0.47 -0.22 0.00 0.00 0.00 175.10 175.30 1pd1 s LEU 616 N 1.42 4.12 0.08 3.92 2.96 -0.63 -0.87 118.68 129.68 1pd1 s LEU 616 Ca -0.05 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1pd1 s LEU 616 Cb -0.19 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1pd1 s LEU 616 CO -0.06 -0.30 0.04 -1.48 -1.32 0.00 0.00 176.35 173.23 1pd1 s LEU 617 N 2.26 2.08 -0.35 -0.68 0.05 -0.60 -0.93 118.68 120.51 1pd1 s LEU 617 Ca 0.19 -0.96 -0.02 0.00 0.05 0.00 0.00 54.13 53.39 1pd1 s LEU 617 Cb -0.16 0.44 0.08 0.00 -2.05 0.00 0.00 46.19 44.50 1pd1 s LEU 617 CO 0.10 -0.66 0.10 -0.44 -0.55 0.00 0.00 176.35 174.90 1pd1 s SER 618 N -2.93 5.06 0.75 1.48 0.01 -0.68 -1.07 113.70 116.33 1pd1 s SER 618 Ca 0.10 -1.65 -0.12 0.00 1.31 0.00 0.00 55.95 55.59 1pd1 s SER 618 Cb 0.07 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.58 1pd1 s SER 618 CO -0.08 -0.39 1.10 -0.22 0.41 0.00 0.00 173.24 174.06 1pd1 s LEU 619 N 1.19 3.12 -0.01 2.44 2.96 0.56 -0.40 118.68 128.54 1pd1 s LEU 619 Ca 0.02 1.90 -0.06 0.00 -0.22 0.00 0.00 54.13 55.77 1pd1 s LEU 619 Cb -0.21 -4.53 -0.26 0.00 0.50 0.00 0.00 46.19 41.69 1pd1 s LEU 619 CO -0.03 -2.01 3.51 -0.46 -1.32 0.00 0.00 176.35 176.05 1pd1 n ASN 620 N -3.27 5.06 -0.79 3.68 6.94 -1.19 -2.76 115.26 122.94 1pd1 n ASN 620 Ca 0.10 -2.44 -0.01 0.00 -0.02 0.00 0.00 54.58 52.20 1pd1 n ASN 620 Cb 0.53 -1.37 -0.02 0.00 -2.36 0.00 0.00 39.78 36.56 1pd1 n ASN 620 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1pd1 n ASN 621 N 2.52 -0.14 -1.87 0.53 6.94 -1.26 -4.27 115.26 117.71 1pd1 n ASN 621 Ca 0.42 -1.62 -0.17 0.00 -0.02 0.00 0.00 54.58 53.18 1pd1 n ASN 621 Cb 0.88 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.30 1pd1 n ASN 621 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1pd1 n SER 622 N 0.07 -4.95 -4.29 0.53 7.64 -1.11 -4.80 113.62 106.71 1pd1 n SER 622 Ca -0.07 0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 1pd1 n SER 622 Cb 0.69 -4.05 -0.15 0.00 -1.01 0.00 0.00 64.21 59.70 1pd1 n SER 622 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pd1 s GLN 623 N -4.76 1.62 -0.23 1.43 -0.21 -1.25 -4.75 119.66 111.52 1pd1 s GLN 623 Ca 0.00 -0.98 -0.11 0.00 0.02 0.00 0.00 55.36 54.29 1pd1 s GLN 623 Cb 0.00 -1.73 -0.05 0.00 1.00 0.00 0.00 33.01 32.23 1pd1 s GLN 623 CO 0.00 0.45 0.17 0.50 -2.12 0.00 0.00 175.29 174.29 1pd1 s ARG 624 N -1.09 4.09 0.23 2.91 6.06 -1.26 -0.32 118.95 129.57 1pd1 s ARG 624 Ca 0.09 -0.23 0.01 0.00 -2.50 0.00 0.00 55.73 53.10 1pd1 s ARG 624 Cb -0.09 -3.52 -0.05 0.00 0.06 0.00 0.00 34.95 31.35 1pd1 s ARG 624 CO 0.01 0.09 0.07 1.03 -2.50 0.00 0.00 175.30 174.00 1pd1 s ARG 625 N 0.98 1.29 -0.19 5.12 0.52 -0.23 0.15 118.95 126.59 1pd1 s ARG 625 Ca 0.08 -1.68 -0.02 0.00 -0.52 0.00 0.00 55.73 53.59 1pd1 s ARG 625 Cb -0.13 -0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.18 1pd1 s ARG 625 CO 0.04 -0.25 0.03 0.42 0.02 0.00 0.00 175.30 175.55 1pd1 s ILE 626 N -3.76 0.59 -0.21 1.52 1.01 -0.42 -1.56 121.20 118.37 1pd1 s ILE 626 Ca 0.33 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1pd1 s ILE 626 Cb 0.07 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1pd1 s ILE 626 CO 0.10 -0.17 0.32 -0.60 0.00 0.00 0.00 174.94 174.60 1pd1 s ARG 627 N 1.83 4.14 -0.07 2.79 3.52 -0.05 -1.19 118.95 129.92 1pd1 s ARG 627 Ca -0.01 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1pd1 s ARG 627 Cb -0.17 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1pd1 s ARG 627 CO -0.08 -0.01 -0.16 0.42 -0.81 0.00 0.00 175.30 174.67 1pd1 s ILE 628 N 1.23 2.90 -0.21 4.11 -1.09 0.12 -0.91 121.20 127.35 1pd1 s ILE 628 Ca 0.15 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1pd1 s ILE 628 Cb -0.14 -2.14 0.06 0.00 -1.58 0.00 0.00 42.46 38.65 1pd1 s ILE 628 CO 0.07 0.57 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.70 1pd1 s ILE 629 N -0.44 1.12 -0.18 2.92 1.01 -0.29 -1.65 121.20 123.69 1pd1 s ILE 629 Ca 0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1pd1 s ILE 629 Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1pd1 s ILE 629 CO 0.02 -0.10 -0.06 -0.89 0.00 0.00 0.00 174.94 173.90 1pd1 s THR 630 N 1.59 3.45 -0.07 2.92 2.01 -0.10 -0.35 115.64 125.10 1pd1 s THR 630 Ca -0.03 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1pd1 s THR 630 Cb -0.18 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1pd1 s THR 630 CO -0.07 0.47 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.91 1pd1 s LEU 631 N 0.87 2.38 -0.10 4.42 2.96 0.09 -2.48 118.68 126.81 1pd1 s LEU 631 Ca -0.01 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1pd1 s LEU 631 Cb -0.15 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1pd1 s LEU 631 CO 0.01 0.27 -0.20 0.00 -1.32 0.00 0.00 176.35 175.10 1pd1 s ALA 632 N -0.27 2.32 -0.02 5.97 0.00 -1.26 -1.79 121.76 126.72 1pd1 s ALA 632 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1pd1 s ALA 632 Cb -0.13 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1pd1 s ALA 632 CO 0.03 0.30 -0.15 -1.64 0.00 0.00 0.00 175.76 174.30 1pd1 s MET 633 N 0.25 1.32 0.44 0.00 -1.94 -0.79 -4.93 119.30 113.65 1pd1 s MET 633 Ca -0.14 -0.54 -0.22 0.00 -1.71 0.00 0.00 55.69 53.08 1pd1 s MET 633 Cb -0.17 -1.24 -0.09 0.00 2.01 0.00 0.00 34.83 35.35 1pd1 s MET 633 CO 0.07 0.29 1.05 -2.14 -0.01 0.00 0.00 175.02 174.28 1pd1 s PRO 634 N -0.24 3.99 0.28 2.03 0.02 -1.26 -1.34 135.00 138.49 1pd1 s PRO 634 Ca 0.03 1.44 0.06 0.00 0.02 0.00 0.00 61.00 62.55 1pd1 s PRO 634 Cb -0.07 -2.33 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 1pd1 s PRO 634 CO -0.00 -0.28 0.41 0.95 -0.33 0.00 0.00 177.00 177.75 1pd1 s THR 635 N -1.81 4.73 0.16 0.99 -4.23 0.34 -0.73 115.64 115.08 1pd1 s THR 635 Ca 0.62 -0.98 -0.22 0.00 -1.18 0.00 0.00 61.69 59.93 1pd1 s THR 635 Cb -0.19 -3.66 0.07 0.00 1.34 0.00 0.00 72.50 70.05 1pd1 s THR 635 CO 0.24 -0.26 0.59 0.28 -0.54 0.00 0.00 174.62 174.94 1pd1 s THR 636 N -2.07 0.00 -0.07 3.99 -1.32 -0.68 -4.84 115.64 110.65 1pd1 s THR 636 Ca 0.39 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1pd1 s THR 636 Cb -0.09 -1.07 0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1pd1 s THR 636 CO 0.30 -0.02 0.86 -0.62 -2.21 0.00 0.00 174.62 172.94 1pd1 n GLU 637 N -0.37 1.78 -3.35 7.08 1.02 -1.26 -0.72 120.64 124.81 1pd1 n GLU 637 Ca -0.16 -1.23 -0.41 0.00 -0.02 0.00 0.00 57.16 55.34 1pd1 n GLU 637 Cb 0.65 -1.02 -0.09 0.00 -0.02 0.00 0.00 31.44 30.96 1pd1 n GLU 637 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pd1 s SER 638 N -0.71 6.23 0.46 1.62 0.15 -1.26 -4.94 113.70 115.25 1pd1 s SER 638 Ca 0.01 -0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.67 1pd1 s SER 638 Cb 0.01 -2.22 1.04 0.00 -1.71 0.00 0.00 66.02 63.14 1pd1 s SER 638 CO 0.01 -0.36 2.09 0.25 1.20 0.00 0.00 173.24 176.43 1pd1 h LEU 639 N 8.82 0.23 -0.27 3.45 5.85 -1.97 -0.43 115.31 131.01 1pd1 h LEU 639 Ca -0.29 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1pd1 h LEU 639 Cb 1.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1pd1 h LEU 639 CO 0.71 0.19 0.12 0.00 -0.34 0.00 0.00 178.44 179.12 1pd1 h ALA 640 N 1.85 0.35 -0.19 1.25 0.00 -1.93 -2.53 119.26 118.05 1pd1 h ALA 640 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1pd1 h ALA 640 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pd1 h ALA 640 CO -0.01 -0.08 -0.10 0.93 0.00 0.00 0.00 179.25 179.99 1pd1 h GLU 641 N 0.29 0.30 -0.20 0.00 5.08 -1.44 -0.17 114.58 118.43 1pd1 h GLU 641 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1pd1 h GLU 641 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pd1 h GLU 641 CO -0.01 0.41 0.02 0.28 -1.00 0.00 0.00 179.01 178.70 1pd1 h VAL 642 N 0.28 1.24 -0.44 3.13 2.07 -0.99 -2.72 116.25 118.82 1pd1 h VAL 642 Ca 0.06 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1pd1 h VAL 642 Cb 0.36 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1pd1 h VAL 642 CO 0.02 0.25 0.06 1.88 0.02 0.00 0.00 177.57 179.80 1pd1 h TYR 643 N 0.13 0.80 -0.25 1.57 -1.99 -1.21 -2.60 116.97 113.41 1pd1 h TYR 643 Ca 0.06 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.75 1pd1 h TYR 643 Cb 0.36 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1pd1 h TYR 643 CO 0.03 0.76 0.24 0.00 -0.00 0.00 0.00 178.16 179.19 1pd1 h ALA 644 N 0.94 1.97 -0.37 3.88 0.00 -0.93 -1.38 119.26 123.37 1pd1 h ALA 644 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pd1 h ALA 644 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pd1 h ALA 644 CO 0.01 -0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.32 1pd1 n SER 645 N -3.95 3.01 -4.76 0.00 7.64 -1.03 -4.83 113.62 109.70 1pd1 n SER 645 Ca 0.03 -1.92 -0.41 0.00 1.01 0.00 0.00 58.87 57.58 1pd1 n SER 645 Cb 0.39 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1pd1 n SER 645 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pd1 s ALA 646 N -1.04 3.65 -0.78 -0.43 0.00 -0.52 -2.56 121.76 120.08 1pd1 s ALA 646 Ca 0.27 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 1pd1 s ALA 646 Cb 0.15 -3.59 0.16 0.00 0.00 0.00 0.00 23.12 19.84 1pd1 s ALA 646 CO 0.20 -0.87 0.82 0.34 0.00 0.00 0.00 175.76 176.24 1pd1 s ASP 647 N 0.24 6.56 0.27 0.00 -1.08 0.64 -4.61 116.67 118.69 1pd1 s ASP 647 Ca 0.59 -2.18 -0.02 0.00 -0.52 0.00 0.00 52.55 50.42 1pd1 s ASP 647 Cb -0.45 -2.28 0.59 0.00 -1.46 0.00 0.00 42.92 39.33 1pd1 s ASP 647 CO 0.49 -0.84 1.66 0.06 0.52 0.00 0.00 175.17 177.06 1pd1 h GLN 648 N 8.44 0.21 -0.30 4.34 3.07 -1.86 0.94 115.11 129.94 1pd1 h GLN 648 Ca -0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.56 1pd1 h GLN 648 Cb 1.05 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.56 1pd1 h GLN 648 CO 0.94 0.14 -0.46 -0.07 0.09 0.00 0.00 178.83 179.47 1pd1 h LEU 649 N 0.21 0.93 -0.50 0.06 3.38 -1.92 0.94 115.31 118.41 1pd1 h LEU 649 Ca 0.49 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1pd1 h LEU 649 Cb 0.92 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1pd1 h LEU 649 CO -0.61 1.26 -0.06 0.00 0.09 0.00 0.00 178.44 179.12 1pd1 h ALA 650 N 0.69 0.69 -0.68 1.53 0.00 -1.74 -0.78 119.26 118.97 1pd1 h ALA 650 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1pd1 h ALA 650 Cb 1.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1pd1 h ALA 650 CO 0.11 0.55 0.19 0.82 0.00 0.00 0.00 179.25 180.92 1pd1 h ILE 651 N 0.79 1.25 -0.67 0.00 2.04 -0.78 0.79 117.51 120.93 1pd1 h ILE 651 Ca 0.14 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1pd1 h ILE 651 Cb 0.60 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1pd1 h ILE 651 CO 0.04 0.34 0.44 0.00 0.00 0.00 0.00 178.15 178.97 1pd1 h ALA 652 N 1.20 0.84 -0.65 1.87 0.00 -0.44 -1.93 119.26 120.15 1pd1 h ALA 652 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pd1 h ALA 652 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1pd1 h ALA 652 CO -0.00 0.28 0.38 1.03 0.00 0.00 0.00 179.25 180.93 1pd1 h SER 653 N 0.90 0.79 0.15 0.00 0.87 -0.39 -1.24 113.55 114.62 1pd1 h SER 653 Ca 0.24 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1pd1 h SER 653 Cb -0.10 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.62 1pd1 h SER 653 CO -0.05 0.63 -0.34 0.15 -0.53 0.00 0.00 176.83 176.69 1pd1 h PHE 654 N 0.88 -0.92 0.00 2.24 3.57 -0.15 -1.47 116.94 121.08 1pd1 h PHE 654 Ca 0.23 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1pd1 h PHE 654 Cb 0.00 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1pd1 h PHE 654 CO -0.01 -0.45 -0.14 1.88 -2.23 0.00 0.00 178.31 177.36 1pd1 h TYR 655 N -0.58 0.00 -0.35 0.41 -1.99 -1.21 -1.24 116.97 112.01 1pd1 h TYR 655 Ca 0.02 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 1pd1 h TYR 655 Cb 0.60 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1pd1 h TYR 655 CO -0.29 0.14 0.04 -0.97 -0.00 0.00 0.00 178.16 177.08 1pd1 h ASN 656 N 0.00 0.58 -0.32 3.88 -1.24 -0.52 0.14 115.58 118.10 1pd1 h ASN 656 Ca -0.00 -0.28 -0.10 0.00 0.71 0.00 0.00 56.30 56.63 1pd1 h ASN 656 Cb 0.42 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1pd1 h ASN 656 CO 0.02 0.71 -0.20 0.28 -1.29 0.00 0.00 177.43 176.95 1pd1 h SER 657 N 0.42 0.73 -0.56 1.15 0.02 -0.62 -1.02 113.55 113.66 1pd1 h SER 657 Ca 0.10 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1pd1 h SER 657 Cb 0.39 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1pd1 h SER 657 CO 0.01 1.00 0.29 0.11 -1.14 0.00 0.00 176.83 177.10 1pd1 h LYS 658 N 0.46 0.82 -0.39 3.45 1.79 -1.16 -1.08 116.57 120.46 1pd1 h LYS 658 Ca 0.06 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1pd1 h LYS 658 Cb 0.75 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1pd1 h LYS 658 CO 0.06 0.63 -0.11 0.00 -1.08 0.00 0.00 179.45 178.94 1pd1 h ALA 659 N 1.50 0.53 -0.61 3.86 0.00 -0.48 -0.30 119.26 123.77 1pd1 h ALA 659 Ca 0.21 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1pd1 h ALA 659 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1pd1 h ALA 659 CO -0.03 0.41 0.23 0.28 0.00 0.00 0.00 179.25 180.14 1pd1 h VAL 660 N 0.56 1.23 0.04 0.00 2.07 -0.70 0.17 116.25 119.63 1pd1 h VAL 660 Ca 0.10 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1pd1 h VAL 660 Cb 0.63 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1pd1 h VAL 660 CO 0.04 0.29 -0.02 -0.08 0.02 0.00 0.00 177.57 177.82 1pd1 h GLU 661 N 0.85 -0.06 -0.55 1.57 4.81 -1.11 1.10 114.58 121.19 1pd1 h GLU 661 Ca 0.20 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1pd1 h GLU 661 Cb 0.23 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1pd1 h GLU 661 CO -0.01 0.08 0.37 -0.22 -0.73 0.00 0.00 179.01 178.49 1pd1 h LYS 662 N -0.18 0.60 0.10 1.92 1.63 -0.80 -1.71 116.57 118.12 1pd1 h LYS 662 Ca -0.01 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1pd1 h LYS 662 Cb 0.16 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1pd1 h LYS 662 CO 0.01 0.39 -0.05 0.00 -3.45 0.00 0.00 179.45 176.36 1pd1 h ALA 663 N 1.68 -0.17 0.00 5.00 0.00 -0.21 0.25 119.26 125.82 1pd1 h ALA 663 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pd1 h ALA 663 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pd1 h ALA 663 CO -0.06 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1pd1 n LEU 664 N -4.13 0.04 0.00 0.00 4.77 0.37 -3.20 117.00 114.85 1pd1 n LEU 664 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pd1 n LEU 664 Cb 0.05 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pd1 n LEU 664 CO 0.04 0.01 0.00 0.59 -1.33 0.00 0.00 177.39 176.70 1pd1 n ASN 665 N -0.06 0.00 0.00 -1.43 3.02 -0.65 -4.98 115.26 111.16 1pd1 n ASN 665 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pd1 n ASN 665 Cb 0.01 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1pd1 n ASN 665 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pd1 n SER 666 N -1.53 0.00 -4.15 6.41 2.88 0.83 -5.06 113.62 113.01 1pd1 n SER 666 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1pd1 n SER 666 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1pd1 n SER 666 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pd1 s SER 667 N -0.69 1.04 0.05 -3.46 0.15 -0.87 -4.95 113.70 104.97 1pd1 s SER 667 Ca 0.00 -0.93 -0.16 0.00 0.70 0.00 0.00 55.95 55.55 1pd1 s SER 667 Cb 0.00 0.10 -0.21 0.00 -1.71 0.00 0.00 66.02 64.20 1pd1 s SER 667 CO 0.00 -0.44 1.19 0.25 1.20 0.00 0.00 173.24 175.44 1pd1 h LEU 668 N 3.22 0.75 -0.57 3.45 5.85 -1.84 -2.86 115.31 123.30 1pd1 h LEU 668 Ca -0.35 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 57.65 1pd1 h LEU 668 Cb 1.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1pd1 h LEU 668 CO 0.61 1.35 0.32 -0.78 -0.34 0.00 0.00 178.44 179.60 1pd1 h ASP 669 N 0.21 0.70 -0.83 1.25 1.82 -1.96 -1.97 116.42 115.64 1pd1 h ASP 669 Ca -0.08 -0.08 0.11 0.00 -0.39 0.00 0.00 57.03 56.58 1pd1 h ASP 669 Cb 1.42 -0.18 -0.06 0.00 0.68 0.00 0.00 39.33 41.20 1pd1 h ASP 669 CO 0.15 0.58 0.54 0.44 -1.61 0.00 0.00 179.24 179.34 1pd1 h ASP 670 N 0.76 0.67 -0.47 2.28 5.19 -1.91 0.29 116.42 123.22 1pd1 h ASP 670 Ca 0.20 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 1pd1 h ASP 670 Cb 0.03 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1pd1 h ASP 670 CO -0.03 0.39 -0.07 0.00 -3.12 0.00 0.00 179.24 176.40 1pd1 h ALA 671 N 1.59 0.65 -0.43 3.45 0.00 -1.14 0.14 119.26 123.52 1pd1 h ALA 671 Ca 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pd1 h ALA 671 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1pd1 h ALA 671 CO -0.16 0.52 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1pd1 h ARG 672 N 0.73 0.62 -0.66 0.00 3.08 -0.40 0.01 114.38 117.75 1pd1 h ARG 672 Ca 0.13 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1pd1 h ARG 672 Cb 0.61 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1pd1 h ARG 672 CO 0.04 0.52 0.40 0.28 -1.07 0.00 0.00 179.97 180.14 1pd1 h VAL 673 N 0.56 1.06 -0.12 2.04 2.07 -0.18 -1.64 116.25 120.05 1pd1 h VAL 673 Ca 0.15 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1pd1 h VAL 673 Cb 0.09 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1pd1 h VAL 673 CO -0.02 0.14 0.06 0.25 0.02 0.00 0.00 177.57 178.02 1pd1 h LEU 674 N 0.78 0.16 0.02 2.57 6.46 -0.26 -1.18 115.31 123.86 1pd1 h LEU 674 Ca 0.27 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1pd1 h LEU 674 Cb 0.05 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1pd1 h LEU 674 CO -0.12 0.24 -0.30 0.40 -0.62 0.00 0.00 178.44 178.04 1pd1 h ILE 675 N 0.06 0.33 -0.90 4.05 2.04 -0.62 -1.22 117.51 121.25 1pd1 h ILE 675 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1pd1 h ILE 675 Cb 0.13 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1pd1 h ILE 675 CO -0.00 0.00 0.60 0.78 0.00 0.00 0.00 178.15 179.52 1pd1 h ASN 676 N -0.46 1.02 -0.58 1.72 2.35 -1.26 -2.21 115.58 116.16 1pd1 h ASN 676 Ca 0.06 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1pd1 h ASN 676 Cb 0.54 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1pd1 h ASN 676 CO -0.24 0.74 0.28 0.50 -1.65 0.00 0.00 177.43 177.05 1pd1 h LYS 677 N 1.21 0.87 -0.99 0.81 3.64 -0.67 -1.07 116.57 120.36 1pd1 h LYS 677 Ca 0.33 -0.12 0.15 0.00 -1.27 0.00 0.00 60.65 59.75 1pd1 h LYS 677 Cb -0.12 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 31.44 1pd1 h LYS 677 CO -0.08 0.68 0.61 0.66 -2.27 0.00 0.00 179.45 179.05 1pd1 h SER 678 N 0.86 0.84 -0.06 4.20 4.64 -0.58 0.19 113.55 123.64 1pd1 h SER 678 Ca 0.21 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1pd1 h SER 678 Cb 0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pd1 h SER 678 CO -0.03 0.37 -0.32 0.58 -0.87 0.00 0.00 176.83 176.57 1pd1 h VAL 679 N 0.86 1.43 -0.14 0.95 2.07 -1.36 -2.89 116.25 117.18 1pd1 h VAL 679 Ca 0.53 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1pd1 h VAL 679 Cb 0.69 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1pd1 h VAL 679 CO -0.33 0.50 0.07 -0.61 0.02 0.00 0.00 177.57 177.22 1pd1 h GLN 680 N -0.18 0.15 -0.59 1.57 4.15 -0.24 0.02 115.11 119.99 1pd1 h GLN 680 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1pd1 h GLN 680 Cb 0.97 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1pd1 h GLN 680 CO 0.07 0.10 0.36 -0.44 -1.93 0.00 0.00 178.83 176.98 1pd1 h ASP 681 N 0.15 0.71 -0.53 -0.69 3.32 -0.76 0.23 116.42 118.85 1pd1 h ASP 681 Ca 0.05 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1pd1 h ASP 681 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1pd1 h ASP 681 CO -0.04 0.56 0.05 0.40 -1.72 0.00 0.00 179.24 178.49 1pd1 h ILE 682 N 0.80 1.26 -0.57 0.35 2.04 -1.29 0.18 117.51 120.27 1pd1 h ILE 682 Ca 0.21 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1pd1 h ILE 682 Cb -0.02 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1pd1 h ILE 682 CO -0.04 0.37 -0.05 -0.07 0.00 0.00 0.00 178.15 178.36 1pd1 h LEU 683 N 0.79 1.01 -0.54 1.44 3.38 -0.68 0.39 115.31 121.10 1pd1 h LEU 683 Ca 0.16 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1pd1 h LEU 683 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pd1 h LEU 683 CO 0.02 1.09 -0.40 0.00 0.09 0.00 0.00 178.44 179.24 1pd1 h ALA 684 N 1.01 0.72 -0.10 1.53 0.00 -0.40 -2.41 119.26 119.61 1pd1 h ALA 684 Ca 0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1pd1 h ALA 684 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pd1 h ALA 684 CO 0.04 0.66 -0.11 1.15 0.00 0.00 0.00 179.25 180.99 1pd1 h THR 685 N 0.60 1.37 -1.00 0.00 2.02 -0.43 -1.82 112.91 113.66 1pd1 h THR 685 Ca 0.05 -1.29 0.05 0.00 0.77 0.00 0.00 66.41 66.00 1pd1 h THR 685 Cb 0.95 2.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 1pd1 h THR 685 CO 0.09 0.36 0.65 0.22 0.37 0.00 0.00 175.52 177.21 1pd1 h TYR 686 N -0.18 1.20 0.08 3.16 3.20 -0.95 0.75 116.97 124.23 1pd1 h TYR 686 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1pd1 h TYR 686 Cb 0.63 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1pd1 h TYR 686 CO 0.09 0.65 -0.04 -0.22 -1.64 0.00 0.00 178.16 177.01 1pd1 h LYS 687 N 1.20 -0.10 0.10 1.82 3.64 -1.34 -2.34 116.57 119.56 1pd1 h LYS 687 Ca 0.42 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.53 1pd1 h LYS 687 Cb 0.11 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1pd1 h LYS 687 CO -0.15 0.13 -1.18 -0.22 -2.27 0.00 0.00 179.45 175.75 1pd1 h LYS 688 N -0.31 0.48 0.00 1.90 3.64 -1.17 -3.34 116.57 117.77 1pd1 h LYS 688 Ca -0.01 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1pd1 h LYS 688 Cb 0.27 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1pd1 h LYS 688 CO 0.02 1.27 -0.01 0.39 -2.27 0.00 0.00 179.45 178.85 1pd1 n GLU 689 N -3.71 0.25 -4.45 1.90 -0.58 0.24 -4.82 120.64 109.47 1pd1 n GLU 689 Ca -0.11 0.21 -0.24 0.00 -0.42 0.00 0.00 57.16 56.59 1pd1 n GLU 689 Cb 0.96 -1.79 -0.13 0.00 -0.57 0.00 0.00 31.44 29.91 1pd1 n GLU 689 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1pd1 s ILE 690 N -3.10 1.64 0.83 -3.67 1.01 -0.88 -4.98 121.20 112.06 1pd1 s ILE 690 Ca 0.11 -1.35 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 1pd1 s ILE 690 Cb 0.13 -1.47 0.17 0.00 0.01 0.00 0.00 42.46 41.30 1pd1 s ILE 690 CO 0.60 0.06 1.14 0.68 0.00 0.00 0.00 174.94 177.42 1pd1 s VAL 691 N -0.98 2.04 0.00 2.92 -7.23 -1.26 -4.71 120.40 111.18 1pd1 s VAL 691 Ca 0.06 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1pd1 s VAL 691 Cb -0.09 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1pd1 s VAL 691 CO 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 1pd1 n ALA 696 N -3.25 0.00 -2.94 1.32 0.00 -1.26 -5.16 120.51 109.22 1pd1 n ALA 696 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pd1 n ALA 696 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1pd1 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pd1 n GLY 697 N -0.10 5.18 0.06 0.00 0.00 -1.26 -5.14 105.19 103.92 1pd1 n GLY 697 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1pd1 n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pd1 n GLY 698 N 0.00 0.16 2.42 -0.02 0.00 -1.26 -5.04 105.19 101.44 1pd1 n GLY 698 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1pd1 n GLY 698 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pd1 n ALA 699 N -1.17 1.00 -1.98 4.61 0.00 -1.26 -5.14 120.51 116.57 1pd1 n ALA 699 Ca 0.00 -2.61 -0.26 0.00 0.00 0.00 0.00 53.44 50.57 1pd1 n ALA 699 Cb 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.49 1pd1 n ALA 699 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1pd1 s PRO 700 N -0.37 2.46 -0.45 0.00 0.02 -1.26 -5.03 135.00 130.38 1pd1 s PRO 700 Ca 0.34 -0.17 -0.03 0.00 0.02 0.00 0.00 61.00 61.16 1pd1 s PRO 700 Cb 0.17 -2.21 0.12 0.00 0.02 0.00 0.00 34.50 32.60 1pd1 s PRO 700 CO -0.16 -1.04 0.25 -1.17 -0.33 0.00 0.00 177.00 174.55 1pd1 s LEU 701 N -5.15 5.25 0.48 -5.54 2.96 -1.26 -5.03 118.68 110.39 1pd1 s LEU 701 Ca 0.58 -2.19 -0.22 0.00 -0.22 0.00 0.00 54.13 52.08 1pd1 s LEU 701 Cb -0.11 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.68 1pd1 s LEU 701 CO 0.45 -0.51 1.14 -0.13 -1.32 0.00 0.00 176.35 175.97 1pd1 s ARG 702 N 0.90 3.69 -0.08 1.98 0.52 -1.26 -1.30 118.95 123.39 1pd1 s ARG 702 Ca 0.10 1.68 -0.32 0.00 -0.52 0.00 0.00 55.73 56.66 1pd1 s ARG 702 Cb -0.22 -2.29 0.14 0.00 0.52 0.00 0.00 34.95 33.10 1pd1 s ARG 702 CO -0.04 -0.59 1.40 -1.17 0.02 0.00 0.00 175.30 174.93 1pd1 s LEU 703 N -3.23 -0.02 0.15 2.53 2.96 -0.96 -4.78 118.68 115.34 1pd1 s LEU 703 Ca 0.66 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1pd1 s LEU 703 Cb -0.26 1.11 -0.04 0.00 0.50 0.00 0.00 46.19 47.50 1pd1 s LEU 703 CO 0.31 -0.08 0.21 0.00 -1.32 0.00 0.00 176.35 175.47 1pd1 h ALA 705 N 2.32 0.54 0.00 0.00 0.00 -1.21 -0.88 119.26 120.03 1pd1 h ALA 705 Ca -0.48 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pd1 h ALA 705 Cb 1.20 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pd1 h ALA 705 CO 0.66 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.77 1pd1 n ASN 706 N -5.36 0.00 -0.26 0.00 6.94 -1.26 -1.88 115.26 113.44 1pd1 n ASN 706 Ca 0.09 0.47 0.03 0.00 -0.02 0.00 0.00 54.58 55.15 1pd1 n ASN 706 Cb 0.36 -0.48 0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1pd1 n ASN 706 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pd1 n LEU 707 N -1.48 1.59 0.31 -4.53 4.77 -0.37 -3.95 117.00 113.33 1pd1 n LEU 707 Ca 0.02 -1.08 0.11 0.00 -0.03 0.00 0.00 56.01 55.03 1pd1 n LEU 707 Cb 0.08 -0.01 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 1pd1 n LEU 707 CO 0.06 0.34 1.04 -0.09 -1.33 0.00 0.00 177.39 177.42 1pd1 h ARG 708 N 1.21 0.00 -0.00 3.23 2.43 -0.92 0.84 114.38 121.17 1pd1 h ARG 708 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pd1 h ARG 708 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1pd1 h ARG 708 CO 0.00 0.00 -0.76 -1.33 -1.51 0.00 0.00 179.97 176.37 1pd1 n MET 709 N -2.66 1.43 0.04 0.20 2.81 -1.26 -4.61 117.12 113.07 1pd1 n MET 709 Ca -0.01 -0.09 -0.11 0.00 -1.81 0.00 0.00 57.70 55.68 1pd1 n MET 709 Cb 0.50 -1.30 -0.05 0.00 -0.71 0.00 0.00 33.22 31.66 1pd1 n MET 709 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 1pd1 h PHE 710 N 0.20 -0.17 -0.71 2.03 3.57 -1.15 -1.41 116.94 119.30 1pd1 h PHE 710 Ca 0.00 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1pd1 h PHE 710 Cb 0.42 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1pd1 h PHE 710 CO 0.00 -0.11 0.36 -1.35 -2.23 0.00 0.00 178.31 174.99 1pd1 h PRO 711 N -0.11 0.60 -0.07 6.41 0.11 -1.82 -2.31 132.00 134.81 1pd1 h PRO 711 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1pd1 h PRO 711 Cb 0.15 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1pd1 h PRO 711 CO -0.08 0.40 0.04 1.25 -0.21 0.00 0.00 178.00 179.39 1pd1 h LEU 712 N 0.62 0.09 0.06 2.35 5.85 -1.77 -1.83 115.31 120.68 1pd1 h LEU 712 Ca 0.35 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1pd1 h LEU 712 Cb 0.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1pd1 h LEU 712 CO -0.26 0.17 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.87 1pd1 h LEU 713 N 0.01 -0.19 -0.00 2.25 3.38 -0.97 0.44 115.31 120.23 1pd1 h LEU 713 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pd1 h LEU 713 Cb 0.10 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pd1 h LEU 713 CO -0.00 -0.11 0.00 0.24 0.09 0.00 0.00 178.44 178.66 1pd1 h MET 714 N -0.15 0.00 -0.34 1.13 2.86 -1.45 0.59 114.93 117.57 1pd1 h MET 714 Ca 0.01 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1pd1 h MET 714 Cb 0.16 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1pd1 h MET 714 CO -0.03 0.07 0.02 1.25 1.06 0.00 0.00 176.91 179.28 1pd1 h HIS 715 N -0.07 0.02 -0.66 -0.22 -0.00 -1.21 -0.13 115.15 112.88 1pd1 h HIS 715 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1pd1 h HIS 715 Cb 0.07 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1pd1 h HIS 715 CO -0.05 -0.04 0.44 0.77 -0.00 0.00 0.00 177.93 179.05 1pd1 h SER 716 N 0.12 0.75 -0.48 3.26 0.02 0.38 -1.91 113.55 115.70 1pd1 h SER 716 Ca 0.16 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1pd1 h SER 716 Cb 0.21 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1pd1 h SER 716 CO -0.26 0.54 0.18 0.25 -1.14 0.00 0.00 176.83 176.41 1pd1 h LEU 717 N 0.88 0.71 -0.54 5.07 5.85 0.20 -1.86 115.31 125.61 1pd1 h LEU 717 Ca 0.25 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1pd1 h LEU 717 Cb -0.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1pd1 h LEU 717 CO -0.06 0.66 0.00 0.35 -0.34 0.00 0.00 178.44 179.05 1pd1 n THR 718 N -4.32 1.06 0.82 1.05 -2.24 -0.55 -1.25 114.28 108.85 1pd1 n THR 718 Ca 0.04 0.36 0.10 0.00 -2.27 0.00 0.00 64.05 62.28 1pd1 n THR 718 Cb 0.18 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.07 1pd1 n THR 718 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pd1 n LYS 719 N -1.94 0.12 -1.67 -0.78 5.02 -0.72 -3.72 118.16 114.47 1pd1 n LYS 719 Ca 0.02 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1pd1 n LYS 719 Cb 0.15 -1.51 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1pd1 n LYS 719 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1pd1 s HIS 720 N -3.09 2.04 0.60 2.13 2.46 -0.38 -4.54 115.29 114.51 1pd1 s HIS 720 Ca 0.06 1.50 0.29 0.00 0.47 0.00 0.00 55.06 57.37 1pd1 s HIS 720 Cb 0.16 -3.69 1.55 0.00 -0.13 0.00 0.00 32.58 30.46 1pd1 s HIS 720 CO 0.86 -2.96 1.96 1.98 -2.47 0.00 0.00 174.74 174.11 1pd1 h MET 721 N 0.40 0.00 -0.23 2.88 4.05 -1.93 0.17 114.93 120.26 1pd1 h MET 721 Ca -0.51 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 58.76 1pd1 h MET 721 Cb 1.34 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 1pd1 h MET 721 CO 0.52 0.00 -0.48 0.00 0.23 0.00 0.00 176.91 177.18 1pd1 h ALA 722 N 1.53 0.73 -0.00 0.39 0.00 -1.88 -3.35 119.26 116.67 1pd1 h ALA 722 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1pd1 h ALA 722 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pd1 h ALA 722 CO -0.00 0.67 -0.01 1.19 0.00 0.00 0.00 179.25 181.10 1pd1 n PHE 723 N -4.00 0.00 -1.47 0.00 3.01 -0.34 -4.86 117.46 109.81 1pd1 n PHE 723 Ca -0.03 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.97 1pd1 n PHE 723 Cb 0.57 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 1pd1 n PHE 723 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pd1 n ARG 724 N 0.05 0.51 -2.19 -1.08 1.74 0.45 -4.85 116.66 111.30 1pd1 n ARG 724 Ca 0.01 0.18 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 1pd1 n ARG 724 Cb 0.06 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1pd1 n ARG 724 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pd1 s SER 725 N -0.82 6.38 0.00 0.55 1.04 -1.26 -4.85 113.70 114.74 1pd1 s SER 725 Ca 0.62 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1pd1 s SER 725 Cb -0.85 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 62.82 1pd1 s SER 725 CO 0.57 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1pd1 n GLY 726 N -2.22 -1.15 3.50 7.32 0.00 -1.26 -4.97 105.19 106.41 1pd1 n GLY 726 Ca 0.05 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1pd1 n GLY 726 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pd1 s ILE 727 N 0.00 4.22 -0.04 -0.61 1.01 -1.26 -5.07 121.20 119.44 1pd1 s ILE 727 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1pd1 s ILE 727 Cb 0.00 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1pd1 s ILE 727 CO 0.00 0.43 0.08 -0.69 0.00 0.00 0.00 174.94 174.76 1pd1 s VAL 728 N 0.87 -0.10 0.24 2.92 1.01 -1.26 -5.13 120.40 118.95 1pd1 s VAL 728 Ca 0.02 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1pd1 s VAL 728 Cb -0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 36.38 35.93 1pd1 s VAL 728 CO 0.02 0.12 1.08 -2.65 0.00 0.00 0.00 175.10 173.67 1pd1 n PRO 729 N 4.65 1.28 -0.28 2.72 -0.02 -1.26 -4.71 135.00 137.37 1pd1 n PRO 729 Ca -0.18 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1pd1 n PRO 729 Cb 0.50 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.35 1pd1 n PRO 729 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pd1 h SER 730 N 2.64 -0.11 -0.38 2.55 0.87 -2.00 -1.11 113.55 116.01 1pd1 h SER 730 Ca -0.41 0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 1pd1 h SER 730 Cb 1.34 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 1pd1 h SER 730 CO 0.65 -0.16 -0.10 0.44 -0.53 0.00 0.00 176.83 177.13 1pd1 h ASP 731 N 0.18 0.75 0.21 6.23 3.32 -1.98 -1.29 116.42 123.84 1pd1 h ASP 731 Ca 0.50 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1pd1 h ASP 731 Cb 0.97 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1pd1 h ASP 731 CO -0.66 0.95 -0.16 0.45 -1.72 0.00 0.00 179.24 178.10 1pd1 h HIS 732 N 0.55 0.00 0.01 4.55 3.86 -1.64 -1.00 115.15 121.47 1pd1 h HIS 732 Ca 0.10 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1pd1 h HIS 732 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1pd1 h HIS 732 CO 0.05 0.16 -0.06 -0.09 0.86 0.00 0.00 177.93 178.85 1pd1 h ARG 733 N 0.00 0.02 -0.69 2.45 2.43 -1.05 -2.33 114.38 115.21 1pd1 h ARG 733 Ca -0.00 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1pd1 h ARG 733 Cb 0.31 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1pd1 h ARG 733 CO 0.02 1.01 0.39 0.00 -1.51 0.00 0.00 179.97 179.89 1pd1 h ALA 734 N -0.00 0.92 -0.02 2.80 0.00 -1.16 0.72 119.26 122.52 1pd1 h ALA 734 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pd1 h ALA 734 Cb 1.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pd1 h ALA 734 CO 0.01 0.08 0.01 1.03 0.00 0.00 0.00 179.25 180.38 1pd1 h SER 735 N 0.73 0.02 -0.65 0.00 0.87 -1.28 0.34 113.55 113.58 1pd1 h SER 735 Ca 0.30 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1pd1 h SER 735 Cb 0.17 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1pd1 h SER 735 CO -0.17 0.03 0.41 0.00 -0.53 0.00 0.00 176.83 176.57 1pd1 h ALA 736 N 0.99 0.83 -0.54 6.23 0.00 -0.89 -0.43 119.26 125.45 1pd1 h ALA 736 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1pd1 h ALA 736 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1pd1 h ALA 736 CO -0.00 0.20 0.09 -0.07 0.00 0.00 0.00 179.25 179.47 1pd1 h LEU 737 N 0.83 0.86 -1.22 0.00 3.38 -0.50 -1.40 115.31 117.26 1pd1 h LEU 737 Ca 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pd1 h LEU 737 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1pd1 h LEU 737 CO -0.08 0.90 0.23 -1.13 0.09 0.00 0.00 178.44 178.46 1pd1 h ASN 738 N 0.79 0.70 0.04 -0.43 -1.24 0.25 -2.66 115.58 113.03 1pd1 h ASN 738 Ca 0.17 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1pd1 h ASN 738 Cb 0.41 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1pd1 h ASN 738 CO 0.01 0.62 -0.02 -1.13 -1.29 0.00 0.00 177.43 175.62 1pd1 h ASN 739 N 0.77 -0.04 -0.64 1.15 -1.24 -0.81 -3.22 115.58 111.55 1pd1 h ASN 739 Ca 0.19 -0.55 0.13 0.00 0.71 0.00 0.00 56.30 56.77 1pd1 h ASN 739 Cb 0.12 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 1pd1 h ASN 739 CO -0.02 0.55 0.44 -0.07 -1.29 0.00 0.00 177.43 177.04 1pd1 h LEU 740 N -0.66 0.30 -0.41 0.34 3.38 -1.20 -1.28 115.31 115.79 1pd1 h LEU 740 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pd1 h LEU 740 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pd1 h LEU 740 CO 0.01 0.17 0.00 1.05 0.09 0.00 0.00 178.44 179.76 1pd1 h GLU 741 N 0.33 0.00 0.00 1.13 4.11 -1.49 -3.33 114.58 115.33 1pd1 h GLU 741 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1pd1 h GLU 741 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pd1 h GLU 741 CO -0.08 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.87 1pd1 n SER 742 N -2.79 0.74 -4.77 3.06 3.41 -0.77 -4.56 113.62 107.94 1pd1 n SER 742 Ca 0.03 -0.90 -0.38 0.00 -0.26 0.00 0.00 58.87 57.36 1pd1 n SER 742 Cb 0.42 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1pd1 n SER 742 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pd1 s LEU 743 N -0.32 4.18 0.45 1.04 2.96 -0.56 -1.33 118.68 125.11 1pd1 s LEU 743 Ca 0.00 2.41 -0.24 0.00 -0.22 0.00 0.00 54.13 56.08 1pd1 s LEU 743 Cb 0.00 -4.01 -0.07 0.00 0.50 0.00 0.00 46.19 42.60 1pd1 s LEU 743 CO 0.00 -0.73 1.25 -2.84 -1.32 0.00 0.00 176.35 172.71 1pd1 s PRO 744 N -2.31 3.74 0.12 0.98 0.02 -1.26 -4.34 135.00 131.95 1pd1 s PRO 744 Ca 0.58 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.38 1pd1 s PRO 744 Cb -0.32 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.61 1pd1 s PRO 744 CO 0.40 -0.63 1.27 -0.11 -0.33 0.00 0.00 177.00 177.60 1pd1 n LEU 745 N -0.31 -0.79 -0.32 -5.54 7.94 -1.26 -0.56 117.00 116.15 1pd1 n LEU 745 Ca 0.06 1.45 0.23 0.00 -1.11 0.00 0.00 56.01 56.64 1pd1 n LEU 745 Cb 0.46 -0.23 0.44 0.00 0.53 0.00 0.00 43.42 44.61 1pd1 n LEU 745 CO 0.52 -1.14 0.99 0.50 -1.11 0.00 0.00 177.39 177.15 1pd1 h LYS 746 N 0.00 0.11 0.00 1.96 3.64 -2.00 0.22 116.57 120.49 1pd1 h LYS 746 Ca 0.12 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1pd1 h LYS 746 Cb 0.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1pd1 h LYS 746 CO -0.70 0.07 -0.89 1.88 -2.27 0.00 0.00 179.45 177.54 1pd1 h TYR 747 N 0.11 0.00 -0.18 1.91 -1.99 -1.18 -3.19 116.97 112.44 1pd1 h TYR 747 Ca 0.71 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.42 1pd1 h TYR 747 Cb 1.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.41 1pd1 h TYR 747 CO -0.17 0.23 0.02 1.25 -0.00 0.00 0.00 178.16 179.49 1pd1 h LEU 748 N 0.00 0.30 -0.74 3.88 5.85 0.91 -0.42 115.31 125.09 1pd1 h LEU 748 Ca -0.05 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1pd1 h LEU 748 Cb 1.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1pd1 h LEU 748 CO 0.02 0.51 0.49 0.40 -0.34 0.00 0.00 178.44 179.52 1pd1 h ILE 749 N 0.09 1.18 0.00 4.05 1.08 -1.38 -1.44 117.51 121.08 1pd1 h ILE 749 Ca 0.05 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 1pd1 h ILE 749 Cb 0.34 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1pd1 h ILE 749 CO 0.01 0.18 -0.25 0.50 -0.69 0.00 0.00 178.15 177.90 1pd1 h LYS 750 N 0.99 0.00 0.00 2.37 3.64 -1.51 0.13 116.57 122.19 1pd1 h LYS 750 Ca 0.28 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1pd1 h LYS 750 Cb -0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1pd1 h LYS 750 CO -0.07 0.25 -0.41 -0.97 -2.27 0.00 0.00 179.45 175.99 1pd1 h ASN 751 N 0.00 0.00 0.06 4.20 -0.73 -0.25 -3.16 115.58 115.70 1pd1 h ASN 751 Ca -0.00 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.91 1pd1 h ASN 751 Cb 0.74 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1pd1 h ASN 751 CO 0.03 0.41 -1.39 0.40 -0.37 0.00 0.00 177.43 176.51 1pd1 h ILE 752 N 0.00 0.94 -3.57 2.57 2.04 -0.80 -3.45 117.51 115.24 1pd1 h ILE 752 Ca -0.00 -2.29 -0.59 0.00 1.00 0.00 0.00 64.86 62.97 1pd1 h ILE 752 Cb 1.23 2.50 -0.38 0.00 -0.74 0.00 0.00 36.82 39.42 1pd1 h ILE 752 CO 0.05 0.57 -0.78 -0.47 0.00 0.00 0.00 178.15 177.52 1pd1 s TYR 753 N -2.43 2.14 0.62 1.37 5.04 0.39 -4.68 117.35 119.80 1pd1 s TYR 753 Ca -0.24 -1.59 -0.16 0.00 -2.44 0.00 0.00 57.07 52.63 1pd1 s TYR 753 Cb 0.05 -1.48 -0.02 0.00 0.35 0.00 0.00 41.96 40.86 1pd1 s TYR 753 CO 0.69 -0.75 1.11 -1.25 -1.34 0.00 0.00 175.55 174.01 1pd1 s PRO 754 N 1.48 3.02 -0.14 4.97 0.04 -1.19 -4.09 135.00 139.09 1pd1 s PRO 754 Ca -0.05 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 1pd1 s PRO 754 Cb -0.19 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1pd1 s PRO 754 CO -0.07 -1.08 0.61 -0.51 0.04 0.00 0.00 177.00 176.00 1pd1 s ASP 755 N -2.34 6.77 -0.10 6.66 1.01 0.13 -4.75 116.67 124.06 1pd1 s ASP 755 Ca 0.68 0.93 0.04 0.00 0.71 0.00 0.00 52.55 54.92 1pd1 s ASP 755 Cb -0.21 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1pd1 s ASP 755 CO 0.36 -0.16 -0.23 -0.69 0.21 0.00 0.00 175.17 174.66 1pd1 s VAL 756 N 1.28 2.17 -0.11 -1.27 1.01 -1.26 -0.42 120.40 121.80 1pd1 s VAL 756 Ca 0.31 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1pd1 s VAL 756 Cb -0.16 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1pd1 s VAL 756 CO 0.13 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.31 1pd1 s TYR 757 N 0.25 2.71 -0.72 5.22 1.51 0.98 -0.59 117.35 126.72 1pd1 s TYR 757 Ca -0.15 -0.69 -0.17 0.00 -1.01 0.00 0.00 57.07 55.05 1pd1 s TYR 757 Cb -0.17 -1.77 0.14 0.00 -0.11 0.00 0.00 41.96 40.05 1pd1 s TYR 757 CO 0.08 -0.22 0.79 0.45 -1.11 0.00 0.00 175.55 175.54 1pd1 s SER 758 N 0.19 6.43 0.04 2.29 0.15 -1.26 -0.45 113.70 121.09 1pd1 s SER 758 Ca -0.10 -1.93 -0.16 0.00 0.70 0.00 0.00 55.95 54.46 1pd1 s SER 758 Cb -0.16 -2.29 -0.26 0.00 -1.71 0.00 0.00 66.02 61.61 1pd1 s SER 758 CO 0.06 -0.94 1.12 -0.07 1.20 0.00 0.00 173.24 174.61 1pd1 h LEU 759 N 9.37 0.78 -1.48 3.45 3.38 -0.89 -3.29 115.31 126.64 1pd1 h LEU 759 Ca -0.10 -0.79 0.18 0.00 0.09 0.00 0.00 57.88 57.26 1pd1 h LEU 759 Cb 1.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1pd1 h LEU 759 CO 1.00 1.47 0.57 1.12 0.09 0.00 0.00 178.44 182.69 1pd1 h HIS 760 N 0.17 0.59 -0.51 1.13 2.07 -1.90 0.24 115.15 116.94 1pd1 h HIS 760 Ca -0.14 0.02 -0.27 0.00 -2.85 0.00 0.00 60.37 57.13 1pd1 h HIS 760 Cb 1.67 -0.18 -0.16 0.00 2.57 0.00 0.00 27.41 31.31 1pd1 h HIS 760 CO 0.13 0.19 0.08 -0.40 -3.07 0.00 0.00 177.93 174.85 1pd1 n ASP 761 N -4.52 2.82 -4.73 3.10 3.85 -1.26 -5.02 116.55 110.80 1pd1 n ASP 761 Ca 0.18 -3.76 -0.42 0.00 -0.71 0.00 0.00 54.79 50.08 1pd1 n ASP 761 Cb 0.60 -0.69 -0.02 0.00 -1.35 0.00 0.00 41.12 39.66 1pd1 n ASP 761 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 1pd1 s MET 762 N -3.28 4.19 0.68 0.11 1.75 0.07 -4.97 119.30 117.85 1pd1 s MET 762 Ca 0.48 2.44 -0.17 0.00 -1.25 0.00 0.00 55.69 57.19 1pd1 s MET 762 Cb 0.43 -3.10 -0.01 0.00 2.84 0.00 0.00 34.83 34.99 1pd1 s MET 762 CO 0.02 -0.59 1.03 0.00 -0.65 0.00 0.00 175.02 174.84 1pd1 n ALA 763 N 3.09 0.13 0.26 4.11 0.00 -1.26 -4.89 120.51 121.95 1pd1 n ALA 763 Ca 0.11 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1pd1 n ALA 763 Cb 0.38 -2.16 0.69 0.00 0.00 0.00 0.00 19.45 18.37 1pd1 n ALA 763 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pd1 h ASP 764 N 0.04 0.00 -0.44 0.00 5.19 -2.01 -2.54 116.42 116.65 1pd1 h ASP 764 Ca -0.48 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.78 1pd1 h ASP 764 Cb 1.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1pd1 h ASP 764 CO 0.49 0.12 -0.29 -0.33 -3.12 0.00 0.00 179.24 176.10 1pd1 h GLU 765 N 0.00 0.98 -6.72 3.56 3.07 -1.96 -3.44 114.58 110.06 1pd1 h GLU 765 Ca -0.00 -0.46 -0.56 0.00 -0.50 0.00 0.00 59.36 57.83 1pd1 h GLU 765 Cb 0.28 -0.01 0.10 0.00 -0.84 0.00 0.00 28.75 28.28 1pd1 h GLU 765 CO 0.02 1.13 0.64 0.00 -1.40 0.00 0.00 179.01 179.40 1pd1 n ALA 766 N -2.53 1.58 -0.03 3.43 0.00 -0.96 -2.14 120.51 119.86 1pd1 n ALA 766 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1pd1 n ALA 766 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1pd1 n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pd1 n GLY 767 N 1.47 1.20 3.55 0.00 0.00 -0.34 -4.90 105.19 106.17 1pd1 n GLY 767 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1pd1 n GLY 767 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pd1 s LEU 768 N 0.00 2.82 1.28 0.99 1.43 -0.91 -4.39 118.68 119.91 1pd1 s LEU 768 Ca 0.00 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 51.95 1pd1 s LEU 768 Cb 0.00 -1.27 0.30 0.00 0.03 0.00 0.00 46.19 45.26 1pd1 s LEU 768 CO 0.00 -0.07 0.80 -2.65 0.23 0.00 0.00 176.35 174.66 1pd1 n PRO 769 N -0.78 -3.34 -0.13 1.29 -0.02 -1.26 -1.15 135.00 129.61 1pd1 n PRO 769 Ca -0.05 -0.97 -0.25 0.00 -2.02 0.00 0.00 63.50 60.21 1pd1 n PRO 769 Cb 0.61 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1pd1 n PRO 769 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1pd1 n VAL 770 N -5.24 1.53 0.87 -1.45 0.31 -1.26 -4.63 118.33 108.45 1pd1 n VAL 770 Ca 0.06 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1pd1 n VAL 770 Cb 0.56 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1pd1 n VAL 770 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pd1 n GLY 779 N 1.66 1.81 3.72 2.92 0.00 -1.26 -5.13 105.19 108.92 1pd1 n GLY 779 Ca -0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1pd1 n GLY 779 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pd1 s THR 780 N 0.10 5.23 0.33 2.61 2.01 -1.26 -5.07 115.64 119.59 1pd1 s THR 780 Ca 0.00 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1pd1 s THR 780 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 1pd1 s THR 780 CO 0.00 0.34 0.94 -0.63 -0.69 0.00 0.00 174.62 174.58 1pd1 s ILE 781 N 0.62 4.23 -0.00 1.82 1.09 -1.26 -4.41 121.20 123.28 1pd1 s ILE 781 Ca 0.23 1.79 -0.26 0.00 -1.10 0.00 0.00 60.65 61.30 1pd1 s ILE 781 Cb -0.14 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 1pd1 s ILE 781 CO 0.08 0.09 0.80 -0.69 -0.10 0.00 0.00 174.94 175.13 1pd1 s VAL 782 N -1.67 4.87 0.03 2.92 1.01 -0.30 -4.95 120.40 122.30 1pd1 s VAL 782 Ca 0.51 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 1pd1 s VAL 782 Cb -0.18 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1pd1 s VAL 782 CO 0.23 0.27 0.17 -0.76 0.00 0.00 0.00 175.10 175.01 1pd1 s LEU 783 N 0.53 4.26 0.88 3.92 1.43 -1.26 -1.20 118.68 127.24 1pd1 s LEU 783 Ca 0.42 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1pd1 s LEU 783 Cb -0.20 -2.72 0.12 0.00 0.03 0.00 0.00 46.19 43.42 1pd1 s LEU 783 CO 0.23 0.21 1.09 -2.84 0.23 0.00 0.00 176.35 175.27 1pd1 s PRO 784 N -2.23 1.35 0.19 1.29 0.02 -1.26 -4.87 135.00 129.50 1pd1 s PRO 784 Ca 0.31 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 1pd1 s PRO 784 Cb -0.13 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 1pd1 s PRO 784 CO 0.23 -2.20 1.05 -1.14 -0.33 0.00 0.00 177.00 174.61 1pd1 s GLN 785 N -4.89 4.66 0.39 5.54 0.74 -1.26 -4.99 119.66 119.84 1pd1 s GLN 785 Ca 0.63 1.66 -0.27 0.00 0.05 0.00 0.00 55.36 57.43 1pd1 s GLN 785 Cb -0.18 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 1pd1 s GLN 785 CO 0.57 0.19 1.31 -2.14 -0.55 0.00 0.00 175.29 174.66 1pd1 s PRO 786 N -0.61 4.05 0.35 1.67 0.02 -1.26 -4.72 135.00 134.51 1pd1 s PRO 786 Ca 0.47 2.17 0.08 0.00 0.02 0.00 0.00 61.00 63.74 1pd1 s PRO 786 Cb -0.28 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 1pd1 s PRO 786 CO 0.35 -0.43 0.30 0.96 -0.33 0.00 0.00 177.00 177.85 1pd1 s ILE 787 N -1.24 3.33 0.43 2.83 -4.36 0.24 -4.93 121.20 117.50 1pd1 s ILE 787 Ca 0.55 -1.38 -0.26 0.00 -0.26 0.00 0.00 60.65 59.30 1pd1 s ILE 787 Cb -0.38 -3.14 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 1pd1 s ILE 787 CO 0.50 -0.14 1.42 0.20 0.24 0.00 0.00 174.94 177.16 1pd1 s ASN 788 N -4.02 6.00 -1.27 4.36 -0.87 -1.26 -4.15 114.94 113.73 1pd1 s ASN 788 Ca 0.42 2.90 -0.18 0.00 -1.57 0.00 0.00 52.86 54.43 1pd1 s ASN 788 Cb -0.05 -2.65 0.01 0.00 -0.02 0.00 0.00 41.25 38.54 1pd1 s ASN 788 CO 0.27 -1.09 1.92 0.00 -2.57 0.00 0.00 177.10 175.63 1pd1 n ALA 789 N -0.06 3.77 -3.24 0.60 0.00 -1.26 -4.87 120.51 115.45 1pd1 n ALA 789 Ca 0.04 -3.67 -0.13 0.00 0.00 0.00 0.00 53.44 49.68 1pd1 n ALA 789 Cb 0.42 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.19 1pd1 n ALA 789 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pd1 s THR 790 N 5.16 0.01 -0.60 0.00 -1.32 -1.26 -2.37 115.64 115.25 1pd1 s THR 790 Ca 0.55 -0.07 0.19 0.00 -1.21 0.00 0.00 61.69 61.15 1pd1 s THR 790 Cb 0.07 -0.52 0.19 0.00 -1.51 0.00 0.00 72.50 70.73 1pd1 s THR 790 CO 0.05 -0.04 1.58 -1.54 -2.21 0.00 0.00 174.62 172.46 1pd1 n SER 791 N 2.63 0.44 -0.15 8.08 3.41 -1.26 -2.58 113.62 124.18 1pd1 n SER 791 Ca -0.14 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1pd1 n SER 791 Cb 0.57 -0.71 0.43 0.00 -0.26 0.00 0.00 64.21 64.24 1pd1 n SER 791 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1pd1 h SER 792 N 0.00 0.52 -0.12 4.04 0.02 -1.94 -1.24 113.55 114.82 1pd1 h SER 792 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1pd1 h SER 792 Cb 0.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1pd1 h SER 792 CO 0.00 0.31 0.00 0.18 -1.14 0.00 0.00 176.83 176.18 1pd1 n LEU 793 N -4.49 1.92 -4.47 5.07 4.77 -1.06 -4.79 117.00 113.95 1pd1 n LEU 793 Ca 0.12 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 1pd1 n LEU 793 Cb 0.34 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1pd1 n LEU 793 CO 0.33 0.37 0.96 -0.36 -1.33 0.00 0.00 177.39 177.36 1pd1 s PHE 794 N -1.85 2.86 0.42 -1.77 0.40 -0.47 -5.01 117.98 112.55 1pd1 s PHE 794 Ca 0.35 -0.97 -0.25 0.00 -0.60 0.00 0.00 56.93 55.46 1pd1 s PHE 794 Cb 0.19 -4.34 -0.08 0.00 0.51 0.00 0.00 43.02 39.30 1pd1 s PHE 794 CO 0.30 -1.62 1.21 -1.21 0.70 0.00 0.00 175.22 174.60 1pd1 s GLU 795 N 3.56 3.95 0.00 0.44 0.41 -1.26 -4.88 118.70 120.92 1pd1 s GLU 795 Ca 0.30 1.92 0.10 0.00 -0.41 0.00 0.00 54.97 56.89 1pd1 s GLU 795 Cb -0.09 -2.64 0.49 0.00 -1.78 0.00 0.00 34.13 30.11 1pd1 s GLU 795 CO -0.01 -0.43 1.26 0.54 -0.49 0.00 0.00 175.26 176.12 1pd1 n ARG 796 N -0.04 0.09 -0.06 1.61 5.12 -1.26 -1.83 116.66 120.30 1pd1 n ARG 796 Ca 0.05 0.24 0.02 0.00 -1.93 0.00 0.00 57.85 56.23 1pd1 n ARG 796 Cb 0.46 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.31 1pd1 n ARG 796 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1pd1 n TYR 797 N -1.37 0.13 -2.95 -1.55 0.18 -1.26 -0.57 117.16 109.77 1pd1 n TYR 797 Ca 0.04 -0.55 -0.20 0.00 1.88 0.00 0.00 57.90 59.07 1pd1 n TYR 797 Cb 0.10 -0.06 0.05 0.00 -0.38 0.00 0.00 39.34 39.05 1pd1 n TYR 797 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1pd1 s GLY 798 N -1.19 1.79 -0.10 -7.48 0.00 -0.76 -4.51 107.32 95.07 1pd1 s GLY 798 Ca 0.09 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.88 1pd1 s GLY 798 CO 0.04 -1.54 -0.13 -2.27 0.00 0.00 0.00 173.10 169.20 1pd1 s LEU 799 N -4.66 1.58 0.05 0.66 2.96 -1.26 -0.60 118.68 117.41 1pd1 s LEU 799 Ca 0.61 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1pd1 s LEU 799 Cb -0.07 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 1pd1 s LEU 799 CO 0.38 -0.02 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.96 1pd1 s TYR 800 N 1.10 1.13 -0.16 5.38 1.51 0.56 -0.11 117.35 126.75 1pd1 s TYR 800 Ca -0.05 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1pd1 s TYR 800 Cb -0.14 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1pd1 s TYR 800 CO -0.02 0.03 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.08 1pd1 s LEU 801 N -1.39 2.04 -0.21 -1.29 2.96 0.41 0.42 118.68 121.62 1pd1 s LEU 801 Ca -0.01 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1pd1 s LEU 801 Cb -0.09 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1pd1 s LEU 801 CO 0.01 0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.45 1pd1 s ILE 802 N 1.19 4.11 -0.20 6.68 1.01 0.10 -0.01 121.20 134.08 1pd1 s ILE 802 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1pd1 s ILE 802 Cb -0.14 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.48 1pd1 s ILE 802 CO -0.09 0.41 -0.16 -0.62 0.00 0.00 0.00 174.94 174.48 1pd1 s ASP 803 N 1.07 3.54 -0.11 3.58 2.15 0.43 -0.97 116.67 126.37 1pd1 s ASP 803 Ca 0.03 -0.72 0.14 0.00 0.43 0.00 0.00 52.55 52.43 1pd1 s ASP 803 Cb -0.14 -1.54 0.31 0.00 -0.30 0.00 0.00 42.92 41.25 1pd1 s ASP 803 CO 0.02 -0.04 1.21 -0.46 -0.17 0.00 0.00 175.17 175.74 1pd1 n ASN 804 N 4.63 2.79 0.00 -0.34 0.23 -1.15 -0.69 115.26 120.72 1pd1 n ASN 804 Ca -0.19 -2.75 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 1pd1 n ASN 804 Cb 0.49 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1pd1 n ASN 804 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pd1 n GLY 805 N -0.79 2.75 0.16 4.83 0.00 -1.26 -4.04 105.19 106.84 1pd1 n GLY 805 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1pd1 n GLY 805 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pd1 n ASN 806 N 0.00 2.64 -3.62 1.61 3.02 -1.26 -4.95 115.26 112.70 1pd1 n ASN 806 Ca 0.00 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.38 1pd1 n ASN 806 Cb 0.00 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 1pd1 n ASN 806 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pd1 s GLU 807 N -2.25 1.63 -0.05 3.52 8.01 -1.26 -4.39 118.70 123.91 1pd1 s GLU 807 Ca -0.17 -1.75 0.04 0.00 0.01 0.00 0.00 54.97 53.10 1pd1 s GLU 807 Cb 0.05 0.36 -0.00 0.00 -4.31 0.00 0.00 34.13 30.23 1pd1 s GLU 807 CO 0.28 -0.62 -0.18 -0.51 0.01 0.00 0.00 175.26 174.24 1pd1 s LEU 808 N -3.24 1.91 -0.16 1.80 1.43 -0.52 -2.94 118.68 116.96 1pd1 s LEU 808 Ca 0.35 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1pd1 s LEU 808 Cb 0.02 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1pd1 s LEU 808 CO 0.19 0.15 -0.20 -0.36 0.23 0.00 0.00 176.35 176.36 1pd1 s PHE 809 N 0.12 2.62 -0.37 0.29 0.40 -0.14 -0.40 117.98 120.49 1pd1 s PHE 809 Ca -0.06 -1.46 -0.13 0.00 -0.60 0.00 0.00 56.93 54.68 1pd1 s PHE 809 Cb -0.13 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1pd1 s PHE 809 CO 0.03 -0.71 0.24 -1.17 0.70 0.00 0.00 175.22 174.31 1pd1 s LEU 810 N 1.15 4.74 -0.29 -0.37 2.96 0.20 0.01 118.68 127.08 1pd1 s LEU 810 Ca 0.01 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 1pd1 s LEU 810 Cb -0.14 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1pd1 s LEU 810 CO -0.09 -0.35 0.12 0.86 -1.32 0.00 0.00 176.35 175.57 1pd1 s TRP 811 N 1.64 3.15 -0.21 5.38 -0.00 0.17 0.07 118.94 129.15 1pd1 s TRP 811 Ca 0.04 -0.64 -0.04 0.00 -0.00 0.00 0.00 56.10 55.46 1pd1 s TRP 811 Cb -0.18 -2.31 -0.01 0.00 -0.00 0.00 0.00 33.47 30.97 1pd1 s TRP 811 CO 0.09 -0.47 -0.04 1.41 -0.00 0.00 0.00 176.95 177.94 1pd1 s MET 812 N 1.59 3.43 0.50 5.86 -2.45 0.20 -0.32 119.30 128.10 1pd1 s MET 812 Ca 0.04 -0.61 -0.22 0.00 -1.25 0.00 0.00 55.69 53.66 1pd1 s MET 812 Cb -0.17 -2.98 -0.08 0.00 1.25 0.00 0.00 34.83 32.85 1pd1 s MET 812 CO 0.05 -0.10 0.94 0.41 1.05 0.00 0.00 175.02 177.37 1pd1 n GLY 813 N 4.53 -0.38 0.25 2.11 0.00 0.24 -1.91 105.19 110.02 1pd1 n GLY 813 Ca -0.18 0.01 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1pd1 n GLY 813 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pd1 h GLY 814 N 1.04 0.00 -3.37 -0.02 0.00 -1.44 -2.88 103.07 96.41 1pd1 h GLY 814 Ca -0.46 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.45 1pd1 h GLY 814 CO 0.54 0.00 0.41 1.22 0.00 0.00 0.00 176.54 178.71 1pd1 n ASP 815 N -3.42 3.46 -4.76 0.19 8.00 0.27 -4.95 116.55 115.33 1pd1 n ASP 815 Ca -0.01 -3.68 -0.41 0.00 0.71 0.00 0.00 54.79 51.41 1pd1 n ASP 815 Cb 0.32 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1pd1 n ASP 815 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pd1 s ALA 816 N -3.31 3.47 0.43 2.24 0.00 -1.09 -4.42 121.76 119.09 1pd1 s ALA 816 Ca 0.53 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 1pd1 s ALA 816 Cb 0.46 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1pd1 s ALA 816 CO 0.07 -0.48 1.45 0.08 0.00 0.00 0.00 175.76 176.88 1pd1 s VAL 817 N -1.02 2.03 0.53 0.00 1.01 -1.26 -4.75 120.40 116.94 1pd1 s VAL 817 Ca 0.48 0.03 0.28 0.00 0.00 0.00 0.00 61.98 62.77 1pd1 s VAL 817 Cb -0.37 -3.02 0.44 0.00 0.00 0.00 0.00 36.38 33.43 1pd1 s VAL 817 CO 0.48 0.00 1.94 -0.65 0.00 0.00 0.00 175.10 176.88 1pd1 h PRO 818 N 2.49 0.00 -0.43 2.72 0.11 -1.93 0.12 132.00 135.08 1pd1 h PRO 818 Ca -0.51 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1pd1 h PRO 818 Cb 1.26 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1pd1 h PRO 818 CO 0.62 0.00 0.18 0.00 -0.21 0.00 0.00 178.00 178.59 1pd1 h ALA 819 N 1.65 0.56 0.19 -0.75 0.00 -1.92 0.18 119.26 119.17 1pd1 h ALA 819 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pd1 h ALA 819 Cb 1.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pd1 h ALA 819 CO -0.01 0.16 -0.09 1.25 0.00 0.00 0.00 179.25 180.56 1pd1 h LEU 820 N 0.56 -0.21 -1.15 0.00 5.85 -1.17 0.22 115.31 119.41 1pd1 h LEU 820 Ca 0.15 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.81 1pd1 h LEU 820 Cb 0.18 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1pd1 h LEU 820 CO -0.01 0.14 0.61 0.58 -0.34 0.00 0.00 178.44 179.42 1pd1 h VAL 821 N -0.59 0.73 0.27 1.05 2.07 -1.10 -1.93 116.25 116.75 1pd1 h VAL 821 Ca -0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pd1 h VAL 821 Cb 0.44 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1pd1 h VAL 821 CO 0.04 0.13 -0.13 0.15 0.02 0.00 0.00 177.57 177.78 1pd1 h PHE 822 N 0.70 -0.33 -0.21 1.57 3.57 0.10 -2.09 116.94 120.24 1pd1 h PHE 822 Ca 0.54 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.09 1pd1 h PHE 822 Cb 0.92 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1pd1 h PHE 822 CO -0.00 0.03 0.50 -0.44 -2.23 0.00 0.00 178.31 176.17 1pd1 h ASP 823 N -0.82 0.00 0.00 0.41 3.32 0.20 -1.63 116.42 117.90 1pd1 h ASP 823 Ca -0.04 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.73 1pd1 h ASP 823 Cb 0.51 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 1pd1 h ASP 823 CO 0.06 0.00 -2.06 0.52 -1.72 0.00 0.00 179.24 176.04 1pd1 n VAL 824 N -3.15 1.06 0.22 -1.35 0.31 -0.89 -3.13 118.33 111.40 1pd1 n VAL 824 Ca 0.03 -0.39 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1pd1 n VAL 824 Cb 0.61 -1.24 -0.04 0.00 -0.91 0.00 0.00 33.84 32.25 1pd1 n VAL 824 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1pd1 n PHE 825 N -3.16 0.00 0.00 3.52 3.01 -0.79 -4.63 117.46 115.41 1pd1 n PHE 825 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.12 1pd1 n PHE 825 Cb 0.84 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 1pd1 n PHE 825 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pd1 n GLY 826 N 1.36 2.67 1.47 1.37 0.00 -0.62 -4.92 105.19 106.52 1pd1 n GLY 826 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 1pd1 n GLY 826 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pd1 n THR 827 N 0.00 0.00 -0.05 2.61 -1.04 -1.26 -4.86 114.28 109.68 1pd1 n THR 827 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1pd1 n THR 827 Cb 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1pd1 n THR 827 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pd1 n GLN 828 N -1.58 4.08 -2.90 -2.82 6.02 -1.26 -1.88 117.38 117.04 1pd1 n GLN 828 Ca 0.06 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 1pd1 n GLN 828 Cb 0.22 -0.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.96 1pd1 n GLN 828 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pd1 s ASP 829 N -0.60 6.31 0.54 1.08 -1.08 -1.26 -4.65 116.67 117.01 1pd1 s ASP 829 Ca 0.00 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 51.77 1pd1 s ASP 829 Cb 0.00 -2.41 1.49 0.00 -1.46 0.00 0.00 42.92 40.54 1pd1 s ASP 829 CO 0.00 -1.17 2.18 -0.29 0.52 0.00 0.00 175.17 176.41 1pd1 h ILE 830 N 5.99 0.80 0.00 4.11 2.10 -1.93 0.28 117.51 128.85 1pd1 h ILE 830 Ca -0.26 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1pd1 h ILE 830 Cb 1.08 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 1pd1 h ILE 830 CO 1.07 0.02 0.00 0.49 -1.08 0.00 0.00 178.15 178.64 1pd1 n PHE 831 N -4.21 0.00 -0.19 2.19 3.01 -1.26 -2.23 117.46 114.76 1pd1 n PHE 831 Ca -0.03 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.52 1pd1 n PHE 831 Cb 0.10 -0.10 0.23 0.00 -0.01 0.00 0.00 39.48 39.71 1pd1 n PHE 831 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pd1 n ASP 832 N -1.10 3.43 -4.81 4.37 -0.08 0.97 -4.99 116.55 114.33 1pd1 n ASP 832 Ca 0.18 -1.98 -0.34 0.00 -1.51 0.00 0.00 54.79 51.15 1pd1 n ASP 832 Cb 0.14 -0.35 -0.07 0.00 2.34 0.00 0.00 41.12 43.19 1pd1 n ASP 832 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1pd1 s ILE 833 N -1.05 4.30 0.38 5.18 2.07 -0.95 -4.99 121.20 126.14 1pd1 s ILE 833 Ca 0.36 1.48 -0.28 0.00 -1.41 0.00 0.00 60.65 60.81 1pd1 s ILE 833 Cb 0.19 -3.62 -0.10 0.00 0.13 0.00 0.00 42.46 39.06 1pd1 s ILE 833 CO 0.26 -0.26 1.38 -2.84 -1.91 0.00 0.00 174.94 171.56 1pd1 s PRO 834 N -3.07 4.12 -0.03 3.50 0.02 -1.26 -5.01 135.00 133.26 1pd1 s PRO 834 Ca 0.61 2.34 0.04 0.00 0.02 0.00 0.00 61.00 64.02 1pd1 s PRO 834 Cb -0.11 -2.92 -0.01 0.00 0.02 0.00 0.00 34.50 31.48 1pd1 s PRO 834 CO 0.15 -0.44 -0.15 0.42 -0.33 0.00 0.00 177.00 176.65 1pd1 s ILE 835 N -1.17 1.26 0.00 2.83 -1.09 -1.26 -4.76 121.20 117.01 1pd1 s ILE 835 Ca 0.53 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1pd1 s ILE 835 Cb -0.42 -1.07 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1pd1 s ILE 835 CO 0.56 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 175.24 1pd1 n GLY 836 N 2.98 -0.94 3.56 6.18 0.00 -0.92 -4.78 105.19 111.28 1pd1 n GLY 836 Ca -0.17 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1pd1 n GLY 836 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pd1 s LYS 837 N 0.00 3.04 0.02 1.61 2.20 -1.26 -1.18 119.74 124.18 1pd1 s LYS 837 Ca 0.00 -0.78 -0.16 0.00 -0.36 0.00 0.00 55.97 54.67 1pd1 s LYS 837 Cb 0.00 -5.22 0.03 0.00 -1.51 0.00 0.00 37.83 31.13 1pd1 s LYS 837 CO 0.00 -2.90 0.35 -0.65 -0.36 0.00 0.00 175.35 171.80 1pd1 s GLN 838 N 6.01 0.81 0.67 4.03 -0.21 -0.55 -4.87 119.66 125.55 1pd1 s GLN 838 Ca 0.60 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 55.54 1pd1 s GLN 838 Cb -0.03 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.35 1pd1 s GLN 838 CO -0.03 -0.26 1.04 -1.21 -2.12 0.00 0.00 175.29 172.71 1pd1 s GLU 839 N -2.11 2.87 -0.12 2.91 0.41 -1.26 -4.56 118.70 116.84 1pd1 s GLU 839 Ca -0.08 0.32 -0.22 0.00 -0.41 0.00 0.00 54.97 54.57 1pd1 s GLU 839 Cb -0.02 -2.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 1pd1 s GLU 839 CO -0.00 -0.94 0.68 0.42 -0.49 0.00 0.00 175.26 174.93 1pd1 s ILE 840 N -3.25 5.03 0.72 -1.63 1.01 -1.26 -5.04 121.20 116.78 1pd1 s ILE 840 Ca 0.57 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 62.41 1pd1 s ILE 840 Cb -0.11 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1pd1 s ILE 840 CO 0.50 0.19 1.23 -2.84 0.00 0.00 0.00 174.94 174.01 1pd1 s PRO 841 N 1.26 2.17 -0.54 2.79 0.02 -1.26 -4.96 135.00 134.47 1pd1 s PRO 841 Ca 0.34 1.83 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 1pd1 s PRO 841 Cb -0.17 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.57 1pd1 s PRO 841 CO 0.14 -1.83 0.88 0.08 -0.33 0.00 0.00 177.00 175.94 1pd1 s VAL 842 N -1.87 4.48 -0.52 3.83 1.01 -1.26 -4.92 120.40 121.14 1pd1 s VAL 842 Ca 0.76 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 1pd1 s VAL 842 Cb -0.31 -4.49 0.09 0.00 0.00 0.00 0.00 36.38 31.67 1pd1 s VAL 842 CO 0.45 -1.05 0.53 -0.69 0.00 0.00 0.00 175.10 174.33 1pd1 s VAL 843 N 3.69 5.08 0.43 2.92 1.01 -1.26 -5.05 120.40 127.23 1pd1 s VAL 843 Ca 0.27 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1pd1 s VAL 843 Cb -0.14 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1pd1 s VAL 843 CO 0.18 -0.82 1.25 -0.62 0.00 0.00 0.00 175.10 175.09 1pd1 n GLU 844 N 5.61 1.85 -0.91 2.72 1.02 -1.26 -2.20 120.64 127.46 1pd1 n GLU 844 Ca -0.11 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1pd1 n GLU 844 Cb 0.43 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1pd1 n GLU 844 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pd1 n ASN 845 N 0.13 -2.72 -4.24 1.62 3.02 -1.26 -4.96 115.26 106.85 1pd1 n ASN 845 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 1pd1 n ASN 845 Cb 0.40 -1.58 -0.10 0.00 -0.61 0.00 0.00 39.78 37.89 1pd1 n ASN 845 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pd1 s SER 846 N -2.21 5.63 0.33 6.41 0.15 -0.93 -4.92 113.70 118.16 1pd1 s SER 846 Ca 0.00 -1.67 0.09 0.00 0.70 0.00 0.00 55.95 55.07 1pd1 s SER 846 Cb 0.00 -1.98 0.58 0.00 -1.71 0.00 0.00 66.02 62.91 1pd1 s SER 846 CO 0.00 -0.59 1.77 1.05 1.20 0.00 0.00 173.24 176.67 1pd1 h GLU 847 N 8.39 0.14 -0.17 5.44 -0.00 -1.92 -2.55 114.58 123.91 1pd1 h GLU 847 Ca -0.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.06 1pd1 h GLU 847 Cb 1.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.82 1pd1 h GLU 847 CO 0.79 0.50 0.02 0.35 -0.00 0.00 0.00 179.01 180.66 1pd1 h PHE 848 N 0.12 0.32 -0.76 2.06 3.57 -1.91 -1.90 116.94 118.43 1pd1 h PHE 848 Ca 0.01 -0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.63 1pd1 h PHE 848 Cb 0.72 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1pd1 h PHE 848 CO 0.01 0.48 0.51 -0.97 -2.23 0.00 0.00 178.31 176.11 1pd1 h ASN 849 N 0.07 0.34 -0.16 0.41 -0.73 -1.43 -0.78 115.58 113.31 1pd1 h ASN 849 Ca 0.05 0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 1pd1 h ASN 849 Cb 0.34 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 1pd1 h ASN 849 CO 0.01 0.17 -0.27 -0.61 -0.37 0.00 0.00 177.43 176.35 1pd1 h GLN 850 N 0.36 0.46 0.00 6.67 5.75 -1.05 -2.51 115.11 124.79 1pd1 h GLN 850 Ca 0.38 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1pd1 h GLN 850 Cb 0.95 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 1pd1 h GLN 850 CO -0.11 0.88 -0.26 0.00 -2.65 0.00 0.00 178.83 176.70 1pd1 h ARG 851 N 0.09 0.00 -0.03 1.69 3.08 -0.45 0.90 114.38 119.66 1pd1 h ARG 851 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1pd1 h ARG 851 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1pd1 h ARG 851 CO 0.06 0.26 -0.08 0.28 -1.07 0.00 0.00 179.97 179.41 1pd1 h VAL 852 N 0.00 1.45 0.00 2.04 2.07 -1.16 -1.62 116.25 119.03 1pd1 h VAL 852 Ca -0.00 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1pd1 h VAL 852 Cb 0.47 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1pd1 h VAL 852 CO 0.03 0.39 -0.13 0.03 0.02 0.00 0.00 177.57 177.92 1pd1 h ARG 853 N -0.43 0.00 -0.17 1.57 3.08 -1.21 -2.03 114.38 115.20 1pd1 h ARG 853 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1pd1 h ARG 853 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1pd1 h ARG 853 CO 0.02 0.13 -0.23 -0.91 -1.07 0.00 0.00 179.97 177.91 1pd1 h ASN 854 N 0.00 0.49 -0.41 7.04 2.35 -0.65 -1.91 115.58 122.50 1pd1 h ASN 854 Ca -0.00 -0.51 -0.08 0.00 -0.55 0.00 0.00 56.30 55.16 1pd1 h ASN 854 Cb 0.29 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1pd1 h ASN 854 CO 0.02 0.91 -0.01 0.40 -1.65 0.00 0.00 177.43 177.10 1pd1 h ILE 855 N 0.09 1.24 -0.22 2.81 2.04 -0.91 -1.26 117.51 121.30 1pd1 h ILE 855 Ca 0.02 -1.02 -0.15 0.00 1.00 0.00 0.00 64.86 64.70 1pd1 h ILE 855 Cb 0.79 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1pd1 h ILE 855 CO 0.05 0.36 -0.49 0.40 0.00 0.00 0.00 178.15 178.47 1pd1 h ILE 856 N 0.75 1.31 -0.12 -0.67 2.04 -1.38 -1.80 117.51 117.65 1pd1 h ILE 856 Ca 0.14 -1.71 -0.17 0.00 1.00 0.00 0.00 64.86 64.13 1pd1 h ILE 856 Cb 0.47 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1pd1 h ILE 856 CO 0.02 0.54 -0.64 0.78 0.00 0.00 0.00 178.15 178.85 1pd1 h ASN 857 N 0.48 0.51 -0.42 1.72 2.35 -1.14 -2.91 115.58 116.17 1pd1 h ASN 857 Ca 0.02 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1pd1 h ASN 857 Cb 1.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1pd1 h ASN 857 CO 0.10 1.02 -0.11 -0.61 -1.65 0.00 0.00 177.43 176.17 1pd1 h GLN 858 N 0.32 0.82 0.00 0.81 5.75 -1.14 -2.14 115.11 119.53 1pd1 h GLN 858 Ca -0.01 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1pd1 h GLN 858 Cb 1.19 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1pd1 h GLN 858 CO 0.11 0.94 0.00 -0.07 -2.65 0.00 0.00 178.83 177.16 1pd1 h LEU 859 N 0.64 0.00 0.00 -2.39 3.38 -1.27 -2.41 115.31 113.26 1pd1 h LEU 859 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pd1 h LEU 859 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pd1 h LEU 859 CO 0.04 0.00 -0.83 0.54 0.09 0.00 0.00 178.44 178.28 1pd1 n ARG 860 N -2.48 0.11 -3.95 1.13 1.74 -0.82 -4.89 116.66 107.50 1pd1 n ARG 860 Ca -0.00 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 1pd1 n ARG 860 Cb 0.14 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 1pd1 n ARG 860 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pd1 s ASN 861 N -3.37 5.31 -0.02 0.55 6.03 -0.91 -4.89 114.94 117.64 1pd1 s ASN 861 Ca 0.07 -0.07 -0.03 0.00 -1.03 0.00 0.00 52.86 51.80 1pd1 s ASN 861 Cb 0.16 -1.92 0.01 0.00 -3.03 0.00 0.00 41.25 36.46 1pd1 s ASN 861 CO 0.78 0.08 0.07 -1.00 -2.03 0.00 0.00 177.10 175.00 1pd1 s HIS 862 N 0.93 -0.06 -1.29 1.54 3.76 -1.26 -5.01 115.29 113.90 1pd1 s HIS 862 Ca 0.03 0.16 0.18 0.00 -0.15 0.00 0.00 55.06 55.28 1pd1 s HIS 862 Cb -0.14 0.02 0.63 0.00 1.11 0.00 0.00 32.58 34.20 1pd1 s HIS 862 CO 0.03 -0.05 1.54 -0.40 -0.85 0.00 0.00 174.74 175.00 1pd1 n ASP 863 N 2.93 4.22 -0.00 1.40 5.68 -1.26 -4.36 116.55 125.16 1pd1 n ASP 863 Ca -0.13 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1pd1 n ASP 863 Cb 0.59 -0.50 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1pd1 n ASP 863 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1pd1 n ASP 864 N 1.09 1.96 -4.13 -1.12 5.75 -1.26 0.32 116.55 119.15 1pd1 n ASP 864 Ca 0.23 -0.31 -0.09 0.00 -0.01 0.00 0.00 54.79 54.61 1pd1 n ASP 864 Cb 0.75 1.01 -0.10 0.00 -1.03 0.00 0.00 41.12 41.74 1pd1 n ASP 864 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1pd1 s VAL 865 N -1.43 0.50 -0.60 2.12 -7.23 -1.26 -4.33 120.40 108.17 1pd1 s VAL 865 Ca 0.00 -1.86 0.24 0.00 -1.81 0.00 0.00 61.98 58.55 1pd1 s VAL 865 Cb 0.00 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1pd1 s VAL 865 CO 0.01 -0.91 1.22 0.16 -0.31 0.00 0.00 175.10 175.27 1pd1 h ILE 866 N 3.08 0.00 -1.41 -0.62 3.07 -1.91 -3.44 117.51 116.28 1pd1 h ILE 866 Ca -0.35 -0.53 -0.74 0.00 1.55 0.00 0.00 64.86 64.80 1pd1 h ILE 866 Cb 1.16 1.03 0.04 0.00 -0.27 0.00 0.00 36.82 38.77 1pd1 h ILE 866 CO 0.65 0.00 0.46 0.41 -1.05 0.00 0.00 178.15 178.62 1pd1 n THR 867 N -2.12 0.06 -4.04 0.16 -1.04 -1.26 -4.19 114.28 101.85 1pd1 n THR 867 Ca 0.03 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1pd1 n THR 867 Cb 0.45 -0.66 -0.15 0.00 -1.82 0.00 0.00 70.33 68.15 1pd1 n THR 867 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1pd1 s TYR 868 N 1.19 2.83 -0.25 -1.42 5.04 -1.26 -4.92 117.35 118.55 1pd1 s TYR 868 Ca 0.91 -1.93 -0.21 0.00 -2.44 0.00 0.00 57.07 53.39 1pd1 s TYR 868 Cb -1.11 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.39 1pd1 s TYR 868 CO 0.56 -0.82 0.66 -0.65 -1.34 0.00 0.00 175.55 173.97 1pd1 s GLN 869 N 1.26 4.11 0.54 4.97 -0.21 -1.26 -4.87 119.66 124.19 1pd1 s GLN 869 Ca -0.04 0.60 -0.20 0.00 0.02 0.00 0.00 55.36 55.73 1pd1 s GLN 869 Cb -0.18 -3.65 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 1pd1 s GLN 869 CO -0.07 -0.44 1.19 -1.12 -2.12 0.00 0.00 175.29 172.74 1pd1 s SER 870 N 1.46 5.59 -0.19 5.90 0.01 -1.26 -4.65 113.70 120.56 1pd1 s SER 870 Ca 0.27 2.36 -0.09 0.00 1.31 0.00 0.00 55.95 59.80 1pd1 s SER 870 Cb -0.15 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 1pd1 s SER 870 CO 0.08 -1.32 0.12 -0.22 0.41 0.00 0.00 173.24 172.32 1pd1 s LEU 871 N -3.66 4.15 -0.15 2.44 2.96 -1.26 -1.44 118.68 121.71 1pd1 s LEU 871 Ca 0.72 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1pd1 s LEU 871 Cb -0.29 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1pd1 s LEU 871 CO 0.34 0.19 -0.16 -0.31 -1.32 0.00 0.00 176.35 175.09 1pd1 s TYR 872 N 0.29 2.77 -0.21 5.38 1.51 0.46 -1.48 117.35 126.06 1pd1 s TYR 872 Ca 0.07 -1.04 -0.09 0.00 -1.01 0.00 0.00 57.07 55.00 1pd1 s TYR 872 Cb -0.11 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1pd1 s TYR 872 CO -0.01 -0.47 0.10 0.42 -1.11 0.00 0.00 175.55 174.48 1pd1 s ILE 873 N 0.77 5.02 -0.03 2.71 1.01 -0.32 0.61 121.20 130.98 1pd1 s ILE 873 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1pd1 s ILE 873 Cb -0.15 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1pd1 s ILE 873 CO 0.00 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.51 1pd1 s VAL 874 N 0.70 1.27 -0.15 2.92 1.01 0.11 -2.16 120.40 124.10 1pd1 s VAL 874 Ca 0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1pd1 s VAL 874 Cb -0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1pd1 s VAL 874 CO 0.01 0.37 -0.02 -0.60 0.00 0.00 0.00 175.10 174.86 1pd1 s ARG 875 N -0.13 3.65 0.00 2.72 3.52 -1.26 -0.63 118.95 126.82 1pd1 s ARG 875 Ca 0.01 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1pd1 s ARG 875 Cb -0.09 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1pd1 s ARG 875 CO 0.01 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 1pd1 n GLY 876 N 3.40 1.77 1.84 8.12 0.00 -0.80 -4.91 105.19 114.60 1pd1 n GLY 876 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1pd1 n GLY 876 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pd1 n ALA 877 N -3.00 -0.70 -0.04 4.61 0.00 -1.26 -3.20 120.51 116.92 1pd1 n ALA 877 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pd1 n ALA 877 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1pd1 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pd1 n ALA 888 N -0.69 1.55 0.26 0.00 0.00 -1.26 -4.64 120.51 115.73 1pd1 n ALA 888 Ca 0.00 -0.49 0.15 0.00 0.00 0.00 0.00 53.44 53.10 1pd1 n ALA 888 Cb 0.00 0.09 0.65 0.00 0.00 0.00 0.00 19.45 20.20 1pd1 n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pd1 h ARG 889 N -0.57 0.00 -0.09 0.00 3.08 -2.05 -2.25 114.38 112.50 1pd1 h ARG 889 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1pd1 h ARG 889 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1pd1 h ARG 889 CO 0.00 0.09 -0.84 1.49 -1.07 0.00 0.00 179.97 179.64 1pd1 h GLU 890 N 0.00 0.66 -0.25 0.04 4.81 -2.04 -2.44 114.58 115.37 1pd1 h GLU 890 Ca -0.00 -0.59 -0.09 0.00 -0.13 0.00 0.00 59.36 58.55 1pd1 h GLU 890 Cb 0.53 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1pd1 h GLU 890 CO 0.01 1.20 -0.22 0.28 -0.73 0.00 0.00 179.01 179.55 1pd1 h VAL 891 N 0.43 1.25 -0.22 0.32 2.07 -1.84 -1.21 116.25 117.05 1pd1 h VAL 891 Ca -0.07 -1.19 -0.17 0.00 0.82 0.00 0.00 66.70 66.09 1pd1 h VAL 891 Cb 1.47 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1pd1 h VAL 891 CO 0.16 0.38 -0.55 0.00 0.02 0.00 0.00 177.57 177.58 1pd1 h ALA 892 N 1.36 0.61 -0.28 1.67 0.00 -1.44 -2.44 119.26 118.75 1pd1 h ALA 892 Ca 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1pd1 h ALA 892 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1pd1 h ALA 892 CO 0.04 0.69 0.07 1.15 0.00 0.00 0.00 179.25 181.20 1pd1 h THR 893 N 0.51 1.22 -0.04 0.00 2.02 -1.05 -1.34 112.91 114.22 1pd1 h THR 893 Ca 0.01 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1pd1 h THR 893 Cb 1.12 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1pd1 h THR 893 CO 0.11 0.23 0.03 -0.07 0.37 0.00 0.00 175.52 176.19 1pd1 h LEU 894 N 0.28 0.05 -0.94 2.58 3.38 -1.20 0.61 115.31 120.06 1pd1 h LEU 894 Ca 0.09 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1pd1 h LEU 894 Cb 0.29 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1pd1 h LEU 894 CO 0.00 0.03 0.61 0.03 0.09 0.00 0.00 178.44 179.21 1pd1 h ARG 895 N 0.06 1.14 0.15 1.13 3.08 -1.41 0.24 114.38 118.75 1pd1 h ARG 895 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pd1 h ARG 895 Cb -0.01 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1pd1 h ARG 895 CO -0.00 0.75 -0.07 1.25 -1.07 0.00 0.00 179.97 180.83 1pd1 h LEU 896 N 1.17 -0.17 0.19 3.04 5.85 -0.64 0.78 115.31 125.54 1pd1 h LEU 896 Ca 0.38 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1pd1 h LEU 896 Cb 0.03 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1pd1 h LEU 896 CO -0.13 -0.12 -0.09 -0.25 -0.34 0.00 0.00 178.44 177.51 1pd1 h TRP 897 N -0.20 -0.24 -0.46 1.25 7.01 -0.24 -1.76 115.95 121.31 1pd1 h TRP 897 Ca -0.02 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.03 1pd1 h TRP 897 Cb 0.15 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 1pd1 h TRP 897 CO -0.07 -0.05 0.18 0.00 -2.79 0.00 0.00 178.44 175.71 1pd1 h ALA 898 N 0.40 0.56 -0.08 2.65 0.00 -0.52 -2.12 119.26 120.15 1pd1 h ALA 898 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pd1 h ALA 898 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pd1 h ALA 898 CO 0.04 -0.20 0.05 1.03 0.00 0.00 0.00 179.25 180.17 1pd1 h SER 899 N 0.36 0.09 0.87 0.00 0.87 -0.70 -1.25 113.55 113.79 1pd1 h SER 899 Ca 0.21 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1pd1 h SER 899 Cb 0.19 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1pd1 h SER 899 CO -0.20 0.06 0.00 -1.54 -0.53 0.00 0.00 176.83 174.62 1pd1 n SER 900 N -4.53 0.03 0.16 6.23 3.41 -0.68 -2.75 113.62 115.50 1pd1 n SER 900 Ca -0.02 0.50 0.04 0.00 -0.26 0.00 0.00 58.87 59.14 1pd1 n SER 900 Cb 0.09 -0.51 0.12 0.00 -0.26 0.00 0.00 64.21 63.64 1pd1 n SER 900 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1pd1 h THR 901 N 0.00 0.75 0.00 6.66 1.35 -1.14 -3.37 112.91 117.16 1pd1 h THR 901 Ca 0.00 -1.92 -0.70 0.00 -0.55 0.00 0.00 66.41 63.24 1pd1 h THR 901 Cb 0.43 2.27 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 1pd1 h THR 901 CO 0.00 0.41 2.99 0.18 -0.25 0.00 0.00 175.52 178.85 1pd1 n LEU 902 N -3.26 6.36 0.09 3.87 4.77 -1.11 -4.73 117.00 122.99 1pd1 n LEU 902 Ca 0.02 -3.90 0.03 0.00 -0.03 0.00 0.00 56.01 52.13 1pd1 n LEU 902 Cb 0.66 -1.55 0.17 0.00 -2.33 0.00 0.00 43.42 40.38 1pd1 n LEU 902 CO 0.39 0.84 0.66 1.33 -1.33 0.00 0.00 177.39 179.28 1pd1 n VAL 903 N 5.24 0.79 0.68 4.08 0.24 -1.25 -1.32 118.33 126.78 1pd1 n VAL 903 Ca 0.52 0.63 0.13 0.00 -2.04 0.00 0.00 64.34 63.58 1pd1 n VAL 903 Cb 0.39 -1.63 0.43 0.00 -1.47 0.00 0.00 33.84 31.56 1pd1 n VAL 903 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pd1 n GLU 904 N -1.67 0.22 -3.07 7.34 1.02 -1.00 -4.65 120.64 118.83 1pd1 n GLU 904 Ca -0.00 0.18 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 1pd1 n GLU 904 Cb 0.30 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1pd1 n GLU 904 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pd1 s ASP 905 N -4.30 6.08 0.01 1.62 1.01 -0.44 -1.59 116.67 119.07 1pd1 s ASP 905 Ca 0.11 0.47 -0.30 0.00 0.71 0.00 0.00 52.55 53.54 1pd1 s ASP 905 Cb 0.13 -1.86 -0.07 0.00 1.01 0.00 0.00 42.92 42.14 1pd1 s ASP 905 CO 0.59 -0.52 1.55 -0.75 0.21 0.00 0.00 175.17 176.25 1pd1 s LYS 906 N -4.50 4.23 -0.27 8.23 2.20 -1.26 -4.35 119.74 124.01 1pd1 s LYS 906 Ca 0.45 2.15 -0.01 0.00 -0.36 0.00 0.00 55.97 58.20 1pd1 s LYS 906 Cb -0.10 -3.67 0.08 0.00 -1.51 0.00 0.00 37.83 32.63 1pd1 s LYS 906 CO 0.38 -0.70 0.06 0.42 -0.36 0.00 0.00 175.35 175.15 1pd1 s ILE 907 N 2.86 0.90 0.00 5.43 1.01 -0.68 -4.92 121.20 125.79 1pd1 s ILE 907 Ca 0.70 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1pd1 s ILE 907 Cb -0.35 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1pd1 s ILE 907 CO 0.29 -0.46 0.00 0.18 0.00 0.00 0.00 174.94 174.95 1pd1 n LEU 908 N 4.87 0.00 -0.60 2.97 4.77 -1.26 -2.36 117.00 125.40 1pd1 n LEU 908 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1pd1 n LEU 908 Cb 0.44 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.74 1pd1 n LEU 908 CO 0.13 0.00 0.65 0.59 -1.33 0.00 0.00 177.39 177.43 1pd1 n ASN 909 N 8.03 3.29 -4.43 -1.43 3.02 -1.26 -4.97 115.26 117.51 1pd1 n ASN 909 Ca 0.00 -2.94 -0.33 0.00 -0.03 0.00 0.00 54.58 51.28 1pd1 n ASN 909 Cb 0.00 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 38.56 1pd1 n ASN 909 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pd1 s ASN 910 N -2.13 3.93 0.82 6.41 0.01 -0.99 -5.12 114.94 117.87 1pd1 s ASN 910 Ca 0.36 -0.26 -0.11 0.00 -0.71 0.00 0.00 52.86 52.14 1pd1 s ASN 910 Cb 0.30 -1.03 0.08 0.00 0.41 0.00 0.00 41.25 41.00 1pd1 s ASN 910 CO 0.07 0.29 1.10 -1.83 -1.51 0.00 0.00 177.10 175.22 1pd1 s GLU 911 N -0.41 1.92 0.96 -0.60 1.03 -1.26 -1.69 118.70 118.66 1pd1 s GLU 911 Ca 0.04 0.67 -0.13 0.00 0.03 0.00 0.00 54.97 55.59 1pd1 s GLU 911 Cb -0.12 -1.90 0.17 0.00 -0.80 0.00 0.00 34.13 31.48 1pd1 s GLU 911 CO 0.02 -1.74 1.14 -1.54 -1.33 0.00 0.00 175.26 171.81 1pd1 s SER 912 N -3.81 3.03 0.14 0.83 1.04 -1.26 -4.53 113.70 109.14 1pd1 s SER 912 Ca 0.61 0.92 -0.15 0.00 0.48 0.00 0.00 55.95 57.81 1pd1 s SER 912 Cb -0.15 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1pd1 s SER 912 CO 0.55 -2.85 1.67 0.22 0.98 0.00 0.00 173.24 173.81 1pd1 h TYR 913 N -1.70 0.68 -0.38 5.02 3.20 -1.56 0.19 116.97 122.41 1pd1 h TYR 913 Ca -0.50 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.39 1pd1 h TYR 913 Cb 1.32 -0.20 -0.09 0.00 1.54 0.00 0.00 36.73 39.31 1pd1 h TYR 913 CO -0.06 0.61 -0.24 0.00 -1.64 0.00 0.00 178.16 176.83 1pd1 h ARG 914 N 0.55 -0.17 -0.45 1.82 3.08 -1.93 -1.33 114.38 115.95 1pd1 h ARG 914 Ca 0.14 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1pd1 h ARG 914 Cb 0.23 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1pd1 h ARG 914 CO -0.01 -0.11 -0.17 0.93 -1.07 0.00 0.00 179.97 179.54 1pd1 h GLU 915 N -0.18 0.87 -0.43 0.04 5.08 -1.86 -2.94 114.58 115.16 1pd1 h GLU 915 Ca 0.18 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1pd1 h GLU 915 Cb 0.47 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1pd1 h GLU 915 CO -0.49 0.97 -0.21 0.35 -1.00 0.00 0.00 179.01 178.64 1pd1 h PHE 916 N 0.77 -0.52 -0.65 4.33 3.57 0.10 0.41 116.94 124.95 1pd1 h PHE 916 Ca 0.11 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1pd1 h PHE 916 Cb 0.70 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1pd1 h PHE 916 CO 0.04 -0.29 0.40 -0.07 -2.23 0.00 0.00 178.31 176.16 1pd1 h LEU 917 N -0.12 0.65 -0.59 0.59 3.38 -1.22 -0.07 115.31 117.93 1pd1 h LEU 917 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1pd1 h LEU 917 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1pd1 h LEU 917 CO -0.51 0.45 0.35 1.56 0.09 0.00 0.00 178.44 180.38 1pd1 h GLN 918 N 0.78 0.81 -0.70 1.13 1.08 -0.90 0.11 115.11 117.42 1pd1 h GLN 918 Ca 0.26 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.43 1pd1 h GLN 918 Cb 0.03 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.24 1pd1 h GLN 918 CO -0.11 0.59 0.42 0.82 -0.95 0.00 0.00 178.83 179.60 1pd1 h ILE 919 N 0.80 1.02 -0.19 2.54 2.04 0.47 -1.20 117.51 122.99 1pd1 h ILE 919 Ca 0.21 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1pd1 h ILE 919 Cb 0.00 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1pd1 h ILE 919 CO -0.04 0.14 0.07 0.24 0.00 0.00 0.00 178.15 178.57 1pd1 h MET 920 N 0.78 0.29 -0.86 2.37 2.86 -0.33 -2.54 114.93 117.50 1pd1 h MET 920 Ca 0.30 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.96 1pd1 h MET 920 Cb 0.12 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1pd1 h MET 920 CO -0.15 0.37 0.53 -0.22 1.06 0.00 0.00 176.91 178.49 1pd1 h LYS 921 N 0.15 0.92 -0.20 1.72 3.64 -0.56 -0.74 116.57 121.51 1pd1 h LYS 921 Ca 0.06 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1pd1 h LYS 921 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1pd1 h LYS 921 CO -0.00 0.61 -0.11 0.00 -2.27 0.00 0.00 179.45 177.67 1pd1 h ALA 922 N 1.42 1.45 0.00 5.00 0.00 -1.06 -3.13 119.26 122.94 1pd1 h ALA 922 Ca 0.38 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1pd1 h ALA 922 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pd1 h ALA 922 CO -0.19 0.39 -0.97 0.00 0.00 0.00 0.00 179.25 178.47 1pd1 h ARG 923 N 0.30 0.49 -0.99 0.00 3.08 -0.74 -3.19 114.38 113.33 1pd1 h ARG 923 Ca 0.06 -0.53 -0.15 0.00 0.07 0.00 0.00 59.98 59.43 1pd1 h ARG 923 Cb 0.38 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 1pd1 h ARG 923 CO 0.02 1.17 0.19 0.44 -1.07 0.00 0.00 179.97 180.72 1pd1 n ILE 924 N -3.77 1.62 -4.31 2.04 -5.35 -0.73 -4.86 119.36 103.99 1pd1 n ILE 924 Ca -0.08 -0.59 -0.23 0.00 -0.27 0.00 0.00 62.75 61.58 1pd1 n ILE 924 Cb 0.85 -0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 37.88 1pd1 n ILE 924 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pd1 s SER 925 N 0.23 4.40 0.00 7.28 0.01 -1.21 -4.98 113.70 119.43 1pd1 s SER 925 Ca 0.18 -0.74 0.12 0.00 1.31 0.00 0.00 55.95 56.83 1pd1 s SER 925 Cb 0.15 -0.74 0.10 0.00 0.21 0.00 0.00 66.02 65.74 1pd1 s SER 925 CO 0.04 -0.04 0.89 0.29 0.41 0.00 0.00 173.24 174.83