#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsy h GLY 10 N 0.00 0.03 1.50 -0.02 0.00 -2.05 -1.99 103.07 100.54 1rsy h GLY 10 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1rsy h GLY 10 CO 0.00 0.01 -0.00 -1.33 0.00 0.00 0.00 176.54 175.22 1rsy h GLY 11 N 0.03 0.67 0.85 4.60 0.00 -2.06 -0.76 103.07 106.39 1rsy h GLY 11 Ca 0.09 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1rsy h GLY 11 CO -0.00 0.38 -0.56 -2.22 0.00 0.00 0.00 176.54 174.14 1rsy h ILE 12 N 0.59 1.39 -0.45 2.60 1.08 -1.81 -2.95 117.51 117.95 1rsy h ILE 12 Ca 0.12 -1.94 0.01 0.00 -0.39 0.00 0.00 64.86 62.66 1rsy h ILE 12 Cb 0.38 2.36 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 1rsy h ILE 12 CO 0.01 0.58 0.30 -0.07 -0.69 0.00 0.00 178.15 178.28 1rsy h LEU 13 N 0.04 0.49 -1.45 1.44 3.38 -1.29 -1.43 115.31 116.50 1rsy h LEU 13 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1rsy h LEU 13 Cb 1.23 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1rsy h LEU 13 CO 0.11 0.35 -0.15 -0.78 0.09 0.00 0.00 178.44 178.06 1rsy h ASP 14 N 0.58 0.00 1.07 -0.43 3.58 -1.04 -2.81 116.42 117.37 1rsy h ASP 14 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1rsy h ASP 14 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1rsy h ASP 14 CO -0.04 0.15 -0.37 -1.54 -2.88 0.00 0.00 179.24 174.56 1rsy n SER 15 N -3.39 0.71 -4.72 2.28 3.41 -0.55 -4.92 113.62 106.44 1rsy n SER 15 Ca -0.00 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.55 1rsy n SER 15 Cb 0.35 -0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.19 1rsy n SER 15 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1rsy s MET 16 N -3.13 2.04 0.08 4.33 -1.94 -1.06 -4.95 119.30 114.67 1rsy s MET 16 Ca 0.08 1.68 -0.31 0.00 -1.71 0.00 0.00 55.69 55.43 1rsy s MET 16 Cb 0.13 -1.83 -0.07 0.00 2.01 0.00 0.00 34.83 35.07 1rsy s MET 16 CO 0.67 -1.89 1.33 0.08 -0.01 0.00 0.00 175.02 175.20 1rsy s VAL 17 N -2.14 3.61 0.39 -6.03 1.01 -1.26 -4.99 120.40 110.98 1rsy s VAL 17 Ca 0.72 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.60 1rsy s VAL 17 Cb -0.27 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1rsy s VAL 17 CO 0.47 0.08 0.98 -1.61 0.00 0.00 0.00 175.10 175.02 1rsy s GLU 140 N 1.26 4.31 -1.05 2.72 2.02 -1.26 -4.96 118.70 121.75 1rsy s GLU 140 Ca 0.62 1.32 -0.23 0.00 0.02 0.00 0.00 54.97 56.71 1rsy s GLU 140 Cb -0.34 -2.50 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 1rsy s GLU 140 CO 0.29 0.02 1.75 0.15 0.02 0.00 0.00 175.26 177.50 1rsy s LYS 141 N -2.58 3.10 -0.20 1.61 1.02 -1.26 -4.74 119.74 116.68 1rsy s LYS 141 Ca 0.57 -0.97 0.16 0.00 0.02 0.00 0.00 55.97 55.74 1rsy s LYS 141 Cb -0.17 -5.26 0.65 0.00 -0.52 0.00 0.00 37.83 32.53 1rsy s LYS 141 CO 0.21 -2.94 1.56 1.28 -0.92 0.00 0.00 175.35 174.55 1rsy n LEU 142 N 11.56 4.64 0.00 3.17 4.77 -1.26 -4.76 117.00 135.12 1rsy n LEU 142 Ca 0.40 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 1rsy n LEU 142 Cb 0.48 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1rsy n LEU 142 CO 0.66 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 1rsy n GLY 143 N -0.06 -0.22 3.06 -0.72 0.00 -1.18 -4.42 105.19 101.64 1rsy n GLY 143 Ca 0.24 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 1rsy n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rsy s LYS 144 N -1.41 0.53 -0.03 1.61 1.02 -0.40 -0.99 119.74 120.08 1rsy s LYS 144 Ca 0.00 -0.87 0.05 0.00 0.02 0.00 0.00 55.97 55.17 1rsy s LYS 144 Cb 0.00 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.18 1rsy s LYS 144 CO 0.00 -0.00 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.09 1rsy s LEU 145 N -1.94 1.96 -0.16 3.17 2.96 -0.05 -0.73 118.68 123.89 1rsy s LEU 145 Ca -0.06 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1rsy s LEU 145 Cb -0.06 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1rsy s LEU 145 CO -0.02 0.17 0.03 -1.58 -1.32 0.00 0.00 176.35 173.63 1rsy s GLN 146 N -0.16 3.79 0.15 1.98 0.74 0.11 -0.53 119.66 125.73 1rsy s GLN 146 Ca 0.01 -0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.02 1rsy s GLN 146 Cb -0.09 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1rsy s GLN 146 CO 0.01 0.32 0.07 1.52 -0.55 0.00 0.00 175.29 176.65 1rsy s TYR 147 N 0.22 0.93 0.09 1.67 1.13 -0.75 -1.91 117.35 118.73 1rsy s TYR 147 Ca 0.02 -1.25 0.04 0.00 -1.41 0.00 0.00 57.07 54.47 1rsy s TYR 147 Cb -0.13 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1rsy s TYR 147 CO 0.01 -0.53 -0.11 -1.54 -2.51 0.00 0.00 175.55 170.88 1rsy s SER 148 N -3.07 1.45 -0.07 -0.18 1.04 0.57 -2.04 113.70 111.41 1rsy s SER 148 Ca 0.27 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 1rsy s SER 148 Cb 0.07 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1rsy s SER 148 CO 0.04 -0.22 0.20 -0.22 0.98 0.00 0.00 173.24 174.01 1rsy s LEU 149 N -2.25 1.26 -0.25 2.42 2.96 0.10 -0.86 118.68 122.05 1rsy s LEU 149 Ca 0.03 0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 1rsy s LEU 149 Cb -0.05 0.71 0.07 0.00 0.50 0.00 0.00 46.19 47.42 1rsy s LEU 149 CO 0.01 -0.12 0.66 -0.62 -1.32 0.00 0.00 176.35 174.96 1rsy s ASP 150 N -0.10 -0.75 -0.21 3.68 2.15 -0.72 -0.11 116.67 120.60 1rsy s ASP 150 Ca -0.02 1.36 -0.12 0.00 0.43 0.00 0.00 52.55 54.20 1rsy s ASP 150 Cb -0.02 1.33 -0.05 0.00 -0.30 0.00 0.00 42.92 43.88 1rsy s ASP 150 CO 0.01 -0.23 0.21 -0.47 -0.17 0.00 0.00 175.17 174.51 1rsy s TYR 151 N 0.77 3.37 -0.75 -5.34 5.04 -1.26 -0.47 117.35 118.70 1rsy s TYR 151 Ca -0.03 0.36 -0.20 0.00 -2.44 0.00 0.00 57.07 54.76 1rsy s TYR 151 Cb -0.05 -2.29 0.10 0.00 0.35 0.00 0.00 41.96 40.07 1rsy s TYR 151 CO -0.06 0.13 0.96 0.34 -1.34 0.00 0.00 175.55 175.59 1rsy s ASP 152 N 0.80 6.36 0.53 4.32 -1.08 0.55 -4.70 116.67 123.46 1rsy s ASP 152 Ca 0.11 -1.53 0.34 0.00 -0.52 0.00 0.00 52.55 50.95 1rsy s ASP 152 Cb -0.13 -2.38 1.49 0.00 -1.46 0.00 0.00 42.92 40.44 1rsy s ASP 152 CO 0.03 -1.20 2.01 -0.26 0.52 0.00 0.00 175.17 176.27 1rsy h PHE 153 N 9.16 0.00 -0.04 -5.34 0.04 -1.96 0.66 116.94 119.45 1rsy h PHE 153 Ca -0.11 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.42 1rsy h PHE 153 Cb 1.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.22 1rsy h PHE 153 CO 1.01 0.00 -0.92 1.96 -0.60 0.00 0.00 178.31 179.76 1rsy h GLN 154 N 0.00 0.62 -0.01 1.51 1.08 -1.96 -3.33 115.11 113.02 1rsy h GLN 154 Ca 0.00 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.59 1rsy h GLN 154 Cb 0.41 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1rsy h GLN 154 CO 0.00 1.22 -0.37 0.09 -0.95 0.00 0.00 178.83 178.82 1rsy n ASN 155 N -3.84 1.12 -3.09 1.46 3.02 -1.12 -5.03 115.26 107.79 1rsy n ASN 155 Ca -0.08 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.27 1rsy n ASN 155 Cb 0.82 0.65 0.07 0.00 -0.61 0.00 0.00 39.78 40.70 1rsy n ASN 155 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rsy n ASN 156 N -0.56 -4.69 -3.85 6.41 5.03 0.23 -5.01 115.26 112.82 1rsy n ASN 156 Ca 0.04 -0.60 -0.12 0.00 0.87 0.00 0.00 54.58 54.78 1rsy n ASN 156 Cb 0.24 -4.65 -0.11 0.00 -1.02 0.00 0.00 39.78 34.24 1rsy n ASN 156 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rsy s GLN 157 N -4.57 0.37 -0.07 3.52 -2.07 -1.00 -3.38 119.66 112.46 1rsy s GLN 157 Ca 0.26 -0.17 -0.22 0.00 -1.82 0.00 0.00 55.36 53.42 1rsy s GLN 157 Cb -0.03 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 1rsy s GLN 157 CO 0.65 -0.08 0.64 -1.17 -1.32 0.00 0.00 175.29 174.01 1rsy s LEU 158 N -0.83 4.32 -0.18 2.60 2.96 0.43 -0.33 118.68 127.65 1rsy s LEU 158 Ca -0.09 1.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1rsy s LEU 158 Cb -0.05 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1rsy s LEU 158 CO 0.01 -0.06 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.21 1rsy s LEU 159 N 0.62 3.30 -0.13 -0.68 1.43 0.37 -1.07 118.68 122.52 1rsy s LEU 159 Ca 0.34 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1rsy s LEU 159 Cb -0.17 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1rsy s LEU 159 CO 0.16 0.11 -0.17 -0.69 0.23 0.00 0.00 176.35 175.99 1rsy s VAL 160 N 0.71 1.72 -0.29 -1.59 1.01 0.27 -1.75 120.40 120.48 1rsy s VAL 160 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1rsy s VAL 160 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1rsy s VAL 160 CO 0.02 0.48 0.11 -0.83 0.00 0.00 0.00 175.10 174.89 1rsy s GLY 161 N 1.08 1.82 -0.50 4.51 0.00 -0.04 0.15 107.32 114.33 1rsy s GLY 161 Ca -0.03 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 1rsy s GLY 161 CO -0.05 0.64 0.44 -0.42 0.00 0.00 0.00 173.10 173.71 1rsy s ILE 162 N 1.59 5.21 -0.07 0.90 -1.09 0.86 -0.31 121.20 128.28 1rsy s ILE 162 Ca 0.05 -1.26 -0.03 0.00 -2.23 0.00 0.00 60.65 57.18 1rsy s ILE 162 Cb -0.17 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1rsy s ILE 162 CO 0.05 -0.70 -0.06 0.40 -1.23 0.00 0.00 174.94 173.40 1rsy h ILE 163 N 5.82 0.00 -2.71 2.92 2.04 -1.62 -0.68 117.51 123.27 1rsy h ILE 163 Ca -0.29 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1rsy h ILE 163 Cb 1.11 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 1rsy h ILE 163 CO 0.95 0.00 0.33 0.00 0.00 0.00 0.00 178.15 179.43 1rsy s GLN 164 N -1.54 1.30 0.07 2.37 -2.07 -1.20 -0.29 119.66 118.30 1rsy s GLN 164 Ca -0.05 -0.61 0.05 0.00 -1.82 0.00 0.00 55.36 52.93 1rsy s GLN 164 Cb 0.01 0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 1rsy s GLN 164 CO 0.07 -0.58 -0.14 0.00 -1.32 0.00 0.00 175.29 173.32 1rsy s ALA 165 N -3.56 1.12 0.08 2.60 0.00 -0.43 0.07 121.76 121.64 1rsy s ALA 165 Ca 0.07 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1rsy s ALA 165 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1rsy s ALA 165 CO -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 175.76 175.79 1rsy s ALA 166 N -1.32 0.87 -1.42 0.00 0.00 0.09 -3.19 121.76 116.80 1rsy s ALA 166 Ca -0.02 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1rsy s ALA 166 Cb -0.10 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1rsy s ALA 166 CO 0.02 -0.12 0.65 0.39 0.00 0.00 0.00 175.76 176.70 1rsy n GLU 167 N 0.57 -4.20 -2.22 0.00 1.02 -1.16 -1.27 120.64 113.39 1rsy n GLU 167 Ca -0.16 0.58 -0.36 0.00 -0.02 0.00 0.00 57.16 57.20 1rsy n GLU 167 Cb 0.58 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1rsy n GLU 167 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rsy s LEU 168 N -6.77 3.79 0.38 -4.62 1.43 -0.70 -3.13 118.68 109.07 1rsy s LEU 168 Ca 0.47 2.24 -0.22 0.00 -1.03 0.00 0.00 54.13 55.59 1rsy s LEU 168 Cb -0.24 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.36 1rsy s LEU 168 CO 0.58 -1.22 0.93 -2.16 0.23 0.00 0.00 176.35 174.71 1rsy s PRO 169 N -3.17 4.35 -0.15 1.29 0.04 -1.26 -4.86 135.00 131.24 1rsy s PRO 169 Ca 0.72 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1rsy s PRO 169 Cb -0.26 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1rsy s PRO 169 CO 0.30 0.11 0.93 0.00 0.04 0.00 0.00 177.00 178.37 1rsy s ALA 170 N -1.94 3.48 -1.18 8.56 0.00 -1.26 -4.69 121.76 124.74 1rsy s ALA 170 Ca 0.57 0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.85 1rsy s ALA 170 Cb -0.13 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1rsy s ALA 170 CO 0.17 -0.66 0.74 1.28 0.00 0.00 0.00 175.76 177.29 1rsy n LEU 171 N 5.22 1.48 -4.80 0.00 4.77 -1.14 -4.85 117.00 117.67 1rsy n LEU 171 Ca 0.07 -0.81 -0.22 0.00 -0.03 0.00 0.00 56.01 55.02 1rsy n LEU 171 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1rsy n LEU 171 CO 0.50 0.29 -0.12 -1.81 -1.33 0.00 0.00 177.39 174.92 1rsy s ASP 172 N -1.42 4.99 0.33 -1.43 1.01 -0.02 -5.02 116.67 115.11 1rsy s ASP 172 Ca 0.11 -0.65 0.01 0.00 0.71 0.00 0.00 52.55 52.73 1rsy s ASP 172 Cb 0.10 -0.82 0.56 0.00 1.01 0.00 0.00 42.92 43.77 1rsy s ASP 172 CO 0.27 -0.37 1.96 -0.03 0.21 0.00 0.00 175.17 177.21 1rsy h MET 173 N 1.35 0.85 -0.91 8.23 4.05 -1.95 -2.73 114.93 123.83 1rsy h MET 173 Ca -0.44 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1rsy h MET 173 Cb 1.25 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1rsy h MET 173 CO 0.61 0.61 0.00 0.41 0.23 0.00 0.00 176.91 178.77 1rsy n GLY 174 N -1.30 1.14 2.45 1.39 0.00 -1.26 -4.75 105.19 102.85 1rsy n GLY 174 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1rsy n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rsy n GLY 175 N 0.34 0.23 2.76 -0.02 0.00 -1.03 -4.95 105.19 102.52 1rsy n GLY 175 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1rsy n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rsy n THR 176 N -3.55 0.00 -4.32 2.61 -2.24 -1.25 -4.76 114.28 100.77 1rsy n THR 176 Ca -0.23 -1.54 -0.18 0.00 -2.27 0.00 0.00 64.05 59.83 1rsy n THR 176 Cb 0.68 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 1rsy n THR 176 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rsy s SER 177 N -2.81 1.40 -0.58 3.42 0.01 -1.26 -0.84 113.70 113.04 1rsy s SER 177 Ca 0.25 -1.53 0.06 0.00 1.31 0.00 0.00 55.95 56.04 1rsy s SER 177 Cb -0.00 0.37 0.23 0.00 0.21 0.00 0.00 66.02 66.82 1rsy s SER 177 CO 0.18 -0.87 0.62 0.47 0.41 0.00 0.00 173.24 174.05 1rsy n ASP 178 N -0.85 2.56 -4.78 2.44 8.00 -1.26 -1.47 116.55 121.19 1rsy n ASP 178 Ca 0.01 -3.17 -0.35 0.00 0.71 0.00 0.00 54.79 52.00 1rsy n ASP 178 Cb 0.65 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1rsy n ASP 178 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1rsy s PRO 179 N -1.83 3.45 0.17 -0.24 0.04 -1.12 -0.53 135.00 134.95 1rsy s PRO 179 Ca 0.36 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1rsy s PRO 179 Cb 0.11 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1rsy s PRO 179 CO -0.08 -0.76 0.40 1.52 0.04 0.00 0.00 177.00 178.12 1rsy s TYR 180 N -1.80 0.08 -0.04 0.56 1.13 -0.93 -1.12 117.35 115.24 1rsy s TYR 180 Ca 0.71 -0.44 0.06 0.00 -1.41 0.00 0.00 57.07 56.00 1rsy s TYR 180 Cb -0.23 0.18 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1rsy s TYR 180 CO 0.26 -0.79 -0.23 0.08 -2.51 0.00 0.00 175.55 172.36 1rsy s VAL 181 N -3.90 1.84 -0.12 -3.49 1.01 -1.26 -1.38 120.40 113.11 1rsy s VAL 181 Ca 0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1rsy s VAL 181 Cb 0.01 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1rsy s VAL 181 CO -0.03 0.52 0.01 -0.54 0.00 0.00 0.00 175.10 175.06 1rsy s LYS 182 N -0.30 3.30 -0.02 2.72 -0.14 -0.30 -1.04 119.74 123.96 1rsy s LYS 182 Ca 0.02 -0.40 0.01 0.00 -1.36 0.00 0.00 55.97 54.24 1rsy s LYS 182 Cb -0.11 -2.91 0.01 0.00 -1.68 0.00 0.00 37.83 33.14 1rsy s LYS 182 CO 0.01 0.55 -0.03 0.08 -0.76 0.00 0.00 175.35 175.21 1rsy s VAL 183 N -0.46 0.35 0.20 3.17 1.01 0.26 -2.03 120.40 122.91 1rsy s VAL 183 Ca 0.09 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1rsy s VAL 183 Cb -0.12 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1rsy s VAL 183 CO 0.02 0.14 0.89 0.72 0.00 0.00 0.00 175.10 176.87 1rsy s PHE 184 N 0.47 -0.12 -0.17 5.22 -0.71 -0.94 -1.83 117.98 119.90 1rsy s PHE 184 Ca -0.05 -0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 55.56 1rsy s PHE 184 Cb -0.08 0.67 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1rsy s PHE 184 CO -0.01 -0.99 -0.07 -0.51 -1.34 0.00 0.00 175.22 172.31 1rsy s LEU 185 N -2.97 2.97 0.29 -1.99 1.43 -1.26 -0.47 118.68 116.68 1rsy s LEU 185 Ca 0.13 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1rsy s LEU 185 Cb -0.03 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 1rsy s LEU 185 CO 0.04 0.11 0.64 -0.76 0.23 0.00 0.00 176.35 176.61 1rsy s LEU 186 N 0.72 4.09 0.00 1.79 1.43 0.11 0.24 118.68 127.06 1rsy s LEU 186 Ca -0.03 1.06 0.27 0.00 -1.03 0.00 0.00 54.13 54.40 1rsy s LEU 186 Cb -0.15 -3.86 0.80 0.00 0.03 0.00 0.00 46.19 43.01 1rsy s LEU 186 CO 0.02 -0.16 1.59 -0.81 0.23 0.00 0.00 176.35 177.22 1rsy n PRO 187 N -0.38 0.72 0.04 1.29 -0.04 -1.26 -1.08 135.00 134.28 1rsy n PRO 187 Ca 0.02 -0.40 -0.02 0.00 -0.04 0.00 0.00 63.50 63.05 1rsy n PRO 187 Cb 0.53 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1rsy n PRO 187 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1rsy h ASP 188 N 0.98 -0.12 -1.86 3.54 2.03 -1.93 -3.48 116.42 115.58 1rsy h ASP 188 Ca 0.00 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.88 1rsy h ASP 188 Cb 0.49 0.03 -0.10 0.00 -0.83 0.00 0.00 39.33 38.91 1rsy h ASP 188 CO 0.00 0.13 -0.45 0.29 -1.03 0.00 0.00 179.24 178.18 1rsy n LYS 189 N -3.60 -1.54 -0.17 4.15 5.02 0.66 -4.87 118.16 117.80 1rsy n LYS 189 Ca -0.02 1.14 0.09 0.00 -2.02 0.00 0.00 58.31 57.50 1rsy n LYS 189 Cb 0.06 -5.64 0.40 0.00 -0.02 0.00 0.00 35.03 29.83 1rsy n LYS 189 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1rsy h LYS 190 N 0.00 0.63 -3.66 1.97 6.56 -1.93 -3.28 116.57 116.86 1rsy h LYS 190 Ca -0.46 -0.04 -0.76 0.00 -1.06 0.00 0.00 60.65 58.33 1rsy h LYS 190 Cb 1.36 -0.14 -0.29 0.00 -0.57 0.00 0.00 32.23 32.59 1rsy h LYS 190 CO 0.61 0.42 0.07 -1.59 -2.06 0.00 0.00 179.45 176.89 1rsy s LYS 191 N -5.60 3.52 -0.56 3.15 0.00 -1.26 -5.02 119.74 113.97 1rsy s LYS 191 Ca -0.09 -2.75 -0.28 0.00 0.00 0.00 0.00 55.97 52.84 1rsy s LYS 191 Cb 0.20 -4.27 0.03 0.00 0.00 0.00 0.00 37.83 33.79 1rsy s LYS 191 CO 0.77 -1.25 1.16 0.15 0.00 0.00 0.00 175.35 176.18 1rsy s LYS 192 N -0.40 3.53 0.01 1.78 -0.14 -1.24 -4.65 119.74 118.64 1rsy s LYS 192 Ca 0.22 0.26 -0.01 0.00 -1.36 0.00 0.00 55.97 55.07 1rsy s LYS 192 Cb -0.12 -4.00 -0.04 0.00 -1.68 0.00 0.00 37.83 31.99 1rsy s LYS 192 CO -0.08 -1.62 0.17 -0.06 -0.76 0.00 0.00 175.35 173.00 1rsy s PHE 193 N 4.80 3.49 -0.00 3.18 0.08 -0.76 -4.98 117.98 123.79 1rsy s PHE 193 Ca 0.43 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.77 1rsy s PHE 193 Cb -0.08 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 1rsy s PHE 193 CO 0.26 0.61 -0.00 -1.21 -0.10 0.00 0.00 175.22 174.78 1rsy s GLU 194 N -2.08 0.06 0.96 0.44 2.02 -1.26 -0.57 118.70 118.27 1rsy s GLU 194 Ca 0.29 0.00 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 1rsy s GLU 194 Cb -0.13 -0.10 0.19 0.00 0.10 0.00 0.00 34.13 34.19 1rsy s GLU 194 CO 0.20 -0.01 1.29 0.95 0.02 0.00 0.00 175.26 177.71 1rsy s THR 195 N 0.16 1.98 0.85 3.63 -4.23 -0.21 -4.97 115.64 112.85 1rsy s THR 195 Ca -0.01 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1rsy s THR 195 Cb -0.02 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1rsy s THR 195 CO -0.00 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.63 1rsy s LYS 196 N -5.82 1.63 -0.09 3.99 -0.14 -1.26 -4.63 119.74 113.41 1rsy s LYS 196 Ca 0.72 1.03 -0.17 0.00 -1.36 0.00 0.00 55.97 56.19 1rsy s LYS 196 Cb -0.05 -1.84 -0.05 0.00 -1.68 0.00 0.00 37.83 34.22 1rsy s LYS 196 CO 0.53 -2.04 0.46 0.08 -0.76 0.00 0.00 175.35 173.61 1rsy s VAL 197 N -2.89 5.14 -0.37 3.17 1.01 -1.26 -4.57 120.40 120.64 1rsy s VAL 197 Ca 0.63 0.93 -0.08 0.00 0.00 0.00 0.00 61.98 63.46 1rsy s VAL 197 Cb -0.18 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1rsy s VAL 197 CO 0.57 0.38 0.16 -1.00 0.00 0.00 0.00 175.10 175.22 1rsy s HIS 198 N 0.24 3.29 0.29 5.22 3.76 -0.28 -5.01 115.29 122.79 1rsy s HIS 198 Ca 0.25 -1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 53.46 1rsy s HIS 198 Cb -0.15 -2.51 -0.09 0.00 1.11 0.00 0.00 32.58 30.94 1rsy s HIS 198 CO 0.11 -0.76 1.03 1.03 -0.85 0.00 0.00 174.74 175.30 1rsy s ARG 199 N 1.42 4.63 -1.22 1.40 0.52 -1.26 -2.78 118.95 121.67 1rsy s ARG 199 Ca 0.00 1.63 -0.09 0.00 -0.52 0.00 0.00 55.73 56.75 1rsy s ARG 199 Cb -0.20 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 1rsy s ARG 199 CO 0.03 0.26 0.73 1.63 0.02 0.00 0.00 175.30 177.97 1rsy n LYS 200 N 1.04 -2.88 -3.71 3.54 4.01 -0.66 -4.95 118.16 114.56 1rsy n LYS 200 Ca -0.00 0.56 -0.14 0.00 -0.51 0.00 0.00 58.31 58.22 1rsy n LYS 200 Cb 0.47 -4.75 -0.09 0.00 -0.51 0.00 0.00 35.03 30.14 1rsy n LYS 200 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1rsy s THR 201 N -3.59 0.01 -1.83 -0.18 -1.32 -0.54 -4.86 115.64 103.32 1rsy s THR 201 Ca 0.25 -0.05 0.17 0.00 -1.21 0.00 0.00 61.69 60.85 1rsy s THR 201 Cb -0.08 -0.66 0.28 0.00 -1.51 0.00 0.00 72.50 70.54 1rsy s THR 201 CO 0.83 -0.03 1.20 0.18 -2.21 0.00 0.00 174.62 174.59 1rsy n LEU 202 N 2.58 2.87 -3.06 9.08 4.77 -1.26 -4.20 117.00 127.78 1rsy n LEU 202 Ca -0.14 -1.44 -0.16 0.00 -0.03 0.00 0.00 56.01 54.24 1rsy n LEU 202 Cb 0.57 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1rsy n LEU 202 CO 0.13 0.62 -0.08 0.59 -1.33 0.00 0.00 177.39 177.32 1rsy n ASN 203 N 1.01 -0.10 -4.79 -1.43 3.02 -1.26 -1.72 115.26 109.99 1rsy n ASN 203 Ca 0.13 -3.18 -0.35 0.00 -0.03 0.00 0.00 54.58 51.15 1rsy n ASN 203 Cb 0.47 0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 1rsy n ASN 203 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rsy s PRO 204 N -1.61 4.01 -0.32 3.52 0.04 -1.19 -4.82 135.00 134.62 1rsy s PRO 204 Ca 0.35 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 1rsy s PRO 204 Cb 0.32 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1rsy s PRO 204 CO -0.08 -0.26 0.08 0.08 0.04 0.00 0.00 177.00 176.87 1rsy s VAL 205 N -1.85 3.77 -0.10 -0.36 1.01 -1.26 -1.31 120.40 120.30 1rsy s VAL 205 Ca 0.62 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1rsy s VAL 205 Cb -0.18 -3.06 -0.27 0.00 0.00 0.00 0.00 36.38 32.86 1rsy s VAL 205 CO 0.23 -0.07 0.52 -0.26 0.00 0.00 0.00 175.10 175.51 1rsy h PHE 206 N 8.21 0.47 -6.61 5.22 0.04 -0.89 -3.48 116.94 119.89 1rsy h PHE 206 Ca -0.26 -0.34 -0.52 0.00 2.80 0.00 0.00 57.97 59.65 1rsy h PHE 206 Cb 1.10 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 1rsy h PHE 206 CO 0.60 1.61 -0.95 0.09 -0.60 0.00 0.00 178.31 179.06 1rsy n ASN 207 N -3.82 -2.90 -4.40 2.17 3.02 -0.58 -4.97 115.26 103.78 1rsy n ASN 207 Ca -0.27 -1.13 -0.28 0.00 -0.03 0.00 0.00 54.58 52.87 1rsy n ASN 207 Cb 0.94 -2.58 -0.13 0.00 -0.61 0.00 0.00 39.78 37.41 1rsy n ASN 207 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1rsy s GLU 208 N -6.73 1.42 0.00 3.52 2.02 -0.28 -5.00 118.70 113.66 1rsy s GLU 208 Ca 0.30 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.94 1rsy s GLU 208 Cb -0.13 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1rsy s GLU 208 CO 0.92 0.43 -0.13 -1.14 0.02 0.00 0.00 175.26 175.36 1rsy s GLN 209 N -2.25 1.00 0.11 1.61 0.74 -1.26 -0.10 119.66 119.51 1rsy s GLN 209 Ca 0.16 -0.54 0.07 0.00 0.05 0.00 0.00 55.36 55.09 1rsy s GLN 209 Cb -0.09 -0.98 -0.03 0.00 1.10 0.00 0.00 33.01 33.01 1rsy s GLN 209 CO 0.07 0.26 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.85 1rsy s PHE 210 N -0.45 1.49 -0.10 1.67 0.08 0.12 -4.97 117.98 115.81 1rsy s PHE 210 Ca 0.04 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1rsy s PHE 210 Cb -0.06 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1rsy s PHE 210 CO -0.00 0.15 -0.14 0.99 -0.10 0.00 0.00 175.22 176.12 1rsy s THR 211 N -1.64 1.42 -0.31 0.64 2.01 -1.26 -0.57 115.64 115.93 1rsy s THR 211 Ca 0.06 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1rsy s THR 211 Cb -0.08 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.17 1rsy s THR 211 CO 0.03 0.42 0.04 -0.36 -0.69 0.00 0.00 174.62 174.07 1rsy s PHE 212 N 1.00 3.22 -1.09 4.92 0.08 -0.23 -4.97 117.98 120.91 1rsy s PHE 212 Ca -0.07 -1.58 -0.22 0.00 0.12 0.00 0.00 56.93 55.19 1rsy s PHE 212 Cb -0.15 -2.18 0.06 0.00 -0.57 0.00 0.00 43.02 40.18 1rsy s PHE 212 CO -0.01 -0.74 1.53 0.15 -0.10 0.00 0.00 175.22 176.04 1rsy s LYS 213 N 1.34 3.69 -0.06 0.44 1.02 -1.26 -0.43 119.74 124.49 1rsy s LYS 213 Ca -0.03 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.63 1rsy s LYS 213 Cb -0.19 -5.41 0.01 0.00 -0.52 0.00 0.00 37.83 31.73 1rsy s LYS 213 CO 0.00 -2.23 -0.10 0.08 -0.92 0.00 0.00 175.35 172.19 1rsy s VAL 214 N 4.79 0.95 0.47 3.17 1.01 -1.22 -5.00 120.40 124.57 1rsy s VAL 214 Ca 0.48 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1rsy s VAL 214 Cb 0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 1rsy s VAL 214 CO -0.05 0.31 1.31 -2.84 0.00 0.00 0.00 175.10 173.83 1rsy s PRO 215 N 0.68 3.62 0.24 2.72 0.02 -1.26 -4.30 135.00 136.72 1rsy s PRO 215 Ca -0.13 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 1rsy s PRO 215 Cb -0.15 -2.51 0.41 0.00 0.02 0.00 0.00 34.50 32.27 1rsy s PRO 215 CO 0.03 -0.78 1.79 -0.92 -0.33 0.00 0.00 177.00 176.79 1rsy h TYR 216 N 2.11 0.80 0.00 6.54 3.20 -1.98 -0.70 116.97 126.93 1rsy h TYR 216 Ca -0.50 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 1rsy h TYR 216 Cb 1.27 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1rsy h TYR 216 CO 0.50 0.29 -0.00 0.66 -1.64 0.00 0.00 178.16 177.98 1rsy h SER 217 N 0.72 0.00 0.93 -2.11 4.64 -2.03 -1.41 113.55 114.30 1rsy h SER 217 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1rsy h SER 217 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rsy h SER 217 CO -0.27 0.00 -0.67 -0.33 -0.87 0.00 0.00 176.83 174.69 1rsy h GLU 218 N 0.00 0.00 -0.49 4.77 5.08 -1.49 -3.39 114.58 119.06 1rsy h GLU 218 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1rsy h GLU 218 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1rsy h GLU 218 CO 0.00 0.00 0.06 1.25 -1.00 0.00 0.00 179.01 179.32 1rsy h LEU 219 N 0.00 0.80 -1.01 1.33 5.85 -1.02 -3.33 115.31 117.93 1rsy h LEU 219 Ca 0.00 -0.27 0.35 0.00 0.84 0.00 0.00 57.88 58.80 1rsy h LEU 219 Cb 0.80 -0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.46 1rsy h LEU 219 CO 0.00 0.87 0.57 1.23 -0.34 0.00 0.00 178.44 180.77 1rsy h GLY 220 N 0.70 2.10 -0.05 3.75 0.00 -1.76 -0.52 103.07 107.28 1rsy h GLY 220 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1rsy h GLY 220 CO 0.01 -0.57 0.00 0.61 0.00 0.00 0.00 176.54 176.60 1rsy n GLY 221 N -1.29 -0.34 3.98 4.60 0.00 -1.25 -3.80 105.19 107.09 1rsy n GLY 221 Ca 0.33 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1rsy n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rsy s LYS 222 N -1.93 3.29 -0.07 1.61 1.02 -0.21 -4.69 119.74 118.77 1rsy s LYS 222 Ca 0.35 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.52 1rsy s LYS 222 Cb 0.18 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1rsy s LYS 222 CO 0.29 0.22 -0.07 0.99 -0.92 0.00 0.00 175.35 175.86 1rsy s THR 223 N -2.11 0.77 -0.10 2.17 2.01 -0.24 -1.25 115.64 116.90 1rsy s THR 223 Ca 0.40 -0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1rsy s THR 223 Cb -0.09 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1rsy s THR 223 CO 0.31 0.29 0.76 -0.22 -0.69 0.00 0.00 174.62 175.07 1rsy s LEU 224 N 1.13 4.27 -0.11 4.42 2.96 0.74 0.07 118.68 132.16 1rsy s LEU 224 Ca -0.07 1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1rsy s LEU 224 Cb -0.14 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1rsy s LEU 224 CO -0.01 -0.23 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.01 1rsy s VAL 225 N 1.31 3.42 -0.11 1.68 1.01 0.39 0.53 120.40 128.62 1rsy s VAL 225 Ca 0.38 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1rsy s VAL 225 Cb -0.18 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1rsy s VAL 225 CO 0.17 0.54 -0.12 -0.04 0.00 0.00 0.00 175.10 175.65 1rsy s MET 226 N -0.08 1.90 -0.04 2.72 -1.94 -0.83 -2.21 119.30 118.83 1rsy s MET 226 Ca -0.00 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.56 1rsy s MET 226 Cb -0.14 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 34.98 1rsy s MET 226 CO 0.03 -0.15 -0.06 0.00 -0.01 0.00 0.00 175.02 174.83 1rsy s ALA 227 N 1.28 0.74 -0.17 3.03 0.00 -0.86 -1.74 121.76 124.05 1rsy s ALA 227 Ca -0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1rsy s ALA 227 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1rsy s ALA 227 CO -0.05 0.03 0.32 0.08 0.00 0.00 0.00 175.76 176.14 1rsy s VAL 228 N 0.75 5.28 0.28 0.00 1.01 -0.09 -1.15 120.40 126.49 1rsy s VAL 228 Ca -0.11 0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.57 1rsy s VAL 228 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1rsy s VAL 228 CO 0.01 0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 175.07 1rsy s TYR 229 N 0.63 2.50 -0.33 5.22 1.51 -0.48 -0.04 117.35 126.36 1rsy s TYR 229 Ca 0.17 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 1rsy s TYR 229 Cb -0.13 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1rsy s TYR 229 CO 0.05 0.64 0.14 0.34 -1.11 0.00 0.00 175.55 175.62 1rsy s ASP 230 N -3.61 5.46 0.34 2.29 2.15 0.42 -2.18 116.67 121.53 1rsy s ASP 230 Ca 0.31 -0.83 -0.28 0.00 0.43 0.00 0.00 52.55 52.18 1rsy s ASP 230 Cb -0.05 -1.95 -0.10 0.00 -0.30 0.00 0.00 42.92 40.52 1rsy s ASP 230 CO 0.18 -0.28 1.29 0.12 -0.17 0.00 0.00 175.17 176.31 1rsy s PHE 231 N 1.53 3.07 -0.11 -5.34 5.36 0.31 -3.13 117.98 119.66 1rsy s PHE 231 Ca 0.02 1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 57.38 1rsy s PHE 231 Cb -0.18 -3.64 0.05 0.00 -0.34 0.00 0.00 43.02 38.91 1rsy s PHE 231 CO 0.05 -1.77 0.24 0.34 -1.46 0.00 0.00 175.22 172.62 1rsy s ASP 232 N -0.55 0.04 0.23 6.13 -1.08 -1.26 -4.61 116.67 115.57 1rsy s ASP 232 Ca 0.49 0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 53.04 1rsy s ASP 232 Cb -0.39 0.49 0.26 0.00 -1.46 0.00 0.00 42.92 41.81 1rsy s ASP 232 CO 0.51 -0.20 1.62 -0.09 0.52 0.00 0.00 175.17 177.54 1rsy h ARG 233 N 7.68 0.54 0.00 4.34 9.65 -1.97 -3.36 114.38 131.27 1rsy h ARG 233 Ca -0.29 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1rsy h ARG 233 Cb 1.14 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1rsy h ARG 233 CO 0.27 0.83 -1.07 1.19 2.80 0.00 0.00 179.97 184.00 1rsy n PHE 234 N -4.04 0.00 -4.54 2.20 3.72 -1.26 -5.02 117.46 108.52 1rsy n PHE 234 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 1rsy n PHE 234 Cb 0.49 -0.13 -0.11 0.00 -0.94 0.00 0.00 39.48 38.79 1rsy n PHE 234 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rsy s SER 235 N -2.87 3.17 0.36 4.37 0.01 -1.26 -5.10 113.70 112.38 1rsy s SER 235 Ca 0.01 -1.36 -0.28 0.00 1.31 0.00 0.00 55.95 55.63 1rsy s SER 235 Cb 0.10 -0.25 -0.11 0.00 0.21 0.00 0.00 66.02 65.97 1rsy s SER 235 CO 0.59 -0.51 1.45 -1.59 0.41 0.00 0.00 173.24 173.59 1rsy s LYS 236 N -3.79 4.17 -0.02 12.44 -2.85 -1.26 -4.55 119.74 123.89 1rsy s LYS 236 Ca 0.35 2.48 -0.30 0.00 -1.00 0.00 0.00 55.97 57.51 1rsy s LYS 236 Cb 0.09 -3.00 -0.04 0.00 -2.06 0.00 0.00 37.83 32.82 1rsy s LYS 236 CO 0.17 -0.46 1.26 -1.01 0.10 0.00 0.00 175.35 175.41 1rsy s HIS 237 N -1.03 3.15 0.15 1.78 3.76 -1.26 -4.82 115.29 117.00 1rsy s HIS 237 Ca 0.53 1.12 -0.29 0.00 -0.15 0.00 0.00 55.06 56.26 1rsy s HIS 237 Cb -0.45 -3.49 -0.07 0.00 1.11 0.00 0.00 32.58 29.68 1rsy s HIS 237 CO 0.59 -1.63 0.93 -0.51 -0.85 0.00 0.00 174.74 173.27 1rsy s ASP 238 N 1.50 7.51 0.02 1.40 1.01 -1.18 -4.84 116.67 122.09 1rsy s ASP 238 Ca 0.59 1.80 -0.26 0.00 0.71 0.00 0.00 52.55 55.39 1rsy s ASP 238 Cb -0.28 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.03 1rsy s ASP 238 CO 0.25 0.02 0.80 -0.51 0.21 0.00 0.00 175.17 175.94 1rsy s ILE 239 N -0.42 4.79 -0.16 0.77 2.07 -1.26 -0.44 121.20 126.56 1rsy s ILE 239 Ca 0.44 1.69 -0.21 0.00 -1.41 0.00 0.00 60.65 61.16 1rsy s ILE 239 Cb -0.24 -4.15 -0.23 0.00 0.13 0.00 0.00 42.46 37.97 1rsy s ILE 239 CO 0.30 0.31 0.44 0.40 -1.91 0.00 0.00 174.94 174.48 1rsy h ILE 240 N 4.34 1.12 -1.34 2.00 2.04 -0.78 -3.47 117.51 121.42 1rsy h ILE 240 Ca -0.43 -2.29 0.36 0.00 1.00 0.00 0.00 64.86 63.50 1rsy h ILE 240 Cb 1.21 2.63 -0.12 0.00 -0.74 0.00 0.00 36.82 39.79 1rsy h ILE 240 CO 0.72 0.52 0.91 -0.83 0.00 0.00 0.00 178.15 179.47 1rsy s GLY 241 N -4.78 -0.42 0.31 5.37 0.00 -1.17 -4.73 107.32 101.89 1rsy s GLY 241 Ca -0.24 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.08 1rsy s GLY 241 CO 0.67 0.75 0.63 -1.83 0.00 0.00 0.00 173.10 173.32 1rsy s GLU 242 N -2.22 1.85 0.02 2.90 4.04 -0.61 -0.92 118.70 123.77 1rsy s GLU 242 Ca 0.16 -1.31 -0.28 0.00 0.04 0.00 0.00 54.97 53.58 1rsy s GLU 242 Cb 0.06 0.55 0.08 0.00 0.02 0.00 0.00 34.13 34.83 1rsy s GLU 242 CO -0.05 -0.82 0.69 -0.59 -1.84 0.00 0.00 175.26 172.65 1rsy s PHE 243 N -3.39 -0.57 0.08 4.83 -0.12 -0.71 -0.08 117.98 118.03 1rsy s PHE 243 Ca 0.19 0.72 0.10 0.00 -0.05 0.00 0.00 56.93 57.89 1rsy s PHE 243 Cb -0.03 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1rsy s PHE 243 CO 0.11 -0.67 -0.26 0.15 -0.05 0.00 0.00 175.22 174.50 1rsy s LYS 244 N -2.27 1.57 -0.32 1.99 1.02 -1.26 -1.96 119.74 118.52 1rsy s LYS 244 Ca -0.05 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 54.78 1rsy s LYS 244 Cb -0.00 -1.87 0.09 0.00 -0.52 0.00 0.00 37.83 35.53 1rsy s LYS 244 CO -0.01 0.47 0.05 0.08 -0.92 0.00 0.00 175.35 175.02 1rsy s VAL 245 N -0.92 1.77 0.05 3.17 1.01 0.19 -4.95 120.40 120.72 1rsy s VAL 245 Ca 0.12 -1.93 -0.31 0.00 0.00 0.00 0.00 61.98 59.87 1rsy s VAL 245 Cb -0.10 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1rsy s VAL 245 CO 0.04 -0.56 1.61 -2.84 0.00 0.00 0.00 175.10 173.35 1rsy s PRO 246 N 1.17 4.21 0.58 2.72 0.02 -1.26 -0.18 135.00 142.26 1rsy s PRO 246 Ca 0.08 2.26 0.29 0.00 0.02 0.00 0.00 61.00 63.65 1rsy s PRO 246 Cb -0.18 -3.61 1.76 0.00 0.02 0.00 0.00 34.50 32.48 1rsy s PRO 246 CO -0.13 -0.71 2.23 0.52 -0.33 0.00 0.00 177.00 178.58 1rsy h MET 247 N 8.29 0.00 0.00 5.54 2.86 -1.42 -2.03 114.93 128.17 1rsy h MET 247 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1rsy h MET 247 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1rsy h MET 247 CO 0.93 0.02 0.00 0.27 1.06 0.00 0.00 176.91 179.18 1rsy n ASN 248 N -3.86 0.00 -0.17 1.22 0.23 -1.25 -2.38 115.26 109.06 1rsy n ASN 248 Ca -0.03 -1.08 0.06 0.00 -0.53 0.00 0.00 54.58 53.00 1rsy n ASN 248 Cb 0.10 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 1rsy n ASN 248 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1rsy n THR 249 N -0.88 0.00 -2.97 5.53 -2.24 -0.76 -4.98 114.28 107.98 1rsy n THR 249 Ca 0.16 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1rsy n THR 249 Cb 0.07 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1rsy n THR 249 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rsy s VAL 250 N -1.84 5.00 -0.49 2.28 1.01 -1.00 -5.02 120.40 120.34 1rsy s VAL 250 Ca 0.08 1.58 -0.22 0.00 0.00 0.00 0.00 61.98 63.42 1rsy s VAL 250 Cb 0.10 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1rsy s VAL 250 CO 0.40 0.22 0.76 -0.62 0.00 0.00 0.00 175.10 175.86 1rsy s ASP 251 N 0.86 6.33 0.93 3.32 2.15 -1.26 -5.03 116.67 123.97 1rsy s ASP 251 Ca 0.40 -0.39 -0.12 0.00 0.43 0.00 0.00 52.55 52.87 1rsy s ASP 251 Cb -0.18 -2.36 0.20 0.00 -0.30 0.00 0.00 42.92 40.27 1rsy s ASP 251 CO 0.20 -0.96 1.19 0.49 -0.17 0.00 0.00 175.17 175.92 1rsy n PHE 252 N 6.69 -3.73 -2.10 -5.34 3.72 -1.26 -4.25 117.46 111.19 1rsy n PHE 252 Ca -0.01 -1.27 -0.16 0.00 -0.05 0.00 0.00 57.45 55.96 1rsy n PHE 252 Cb 0.47 -0.91 -0.02 0.00 -0.94 0.00 0.00 39.48 38.08 1rsy n PHE 252 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rsy n GLY 253 N -3.05 0.17 3.64 1.37 0.00 -1.26 -4.95 105.19 101.11 1rsy n GLY 253 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1rsy n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rsy s HIS 254 N -2.76 -0.73 -0.12 1.61 3.76 -1.26 -5.13 115.29 110.66 1rsy s HIS 254 Ca 0.00 1.50 -0.29 0.00 -0.15 0.00 0.00 55.06 56.12 1rsy s HIS 254 Cb 0.00 0.43 -0.03 0.00 1.11 0.00 0.00 32.58 34.10 1rsy s HIS 254 CO 0.00 -0.36 1.32 0.08 -0.85 0.00 0.00 174.74 174.93 1rsy s VAL 255 N 1.20 4.13 0.01 -0.90 1.01 -1.26 -4.75 120.40 119.84 1rsy s VAL 255 Ca -0.07 1.40 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 1rsy s VAL 255 Cb -0.04 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1rsy s VAL 255 CO -0.14 -0.10 0.53 -0.89 0.00 0.00 0.00 175.10 174.50 1rsy s THR 256 N 3.29 4.92 -0.11 3.92 2.01 0.84 -4.91 115.64 125.60 1rsy s THR 256 Ca 0.58 1.11 -0.05 0.00 0.31 0.00 0.00 61.69 63.64 1rsy s THR 256 Cb -0.25 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.46 1rsy s THR 256 CO 0.19 0.49 0.24 -0.70 -0.69 0.00 0.00 174.62 174.14 1rsy s GLU 257 N -0.57 0.18 0.21 4.92 -6.30 -1.26 0.01 118.70 115.88 1rsy s GLU 257 Ca 0.28 0.56 -0.21 0.00 -2.50 0.00 0.00 54.97 53.11 1rsy s GLU 257 Cb -0.18 -0.11 0.04 0.00 0.00 0.00 0.00 34.13 33.88 1rsy s GLU 257 CO 0.16 -0.19 0.62 -1.83 0.02 0.00 0.00 175.26 174.04 1rsy s GLU 258 N 1.51 1.48 -0.21 4.30 -1.05 -0.86 -5.02 118.70 118.86 1rsy s GLU 258 Ca -0.07 -0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 53.91 1rsy s GLU 258 Cb -0.11 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1rsy s GLU 258 CO -0.08 -0.65 0.08 -1.58 0.95 0.00 0.00 175.26 173.98 1rsy s TRP 259 N -3.84 3.22 -0.08 4.83 0.52 -1.26 -1.80 118.94 120.52 1rsy s TRP 259 Ca 0.07 -0.01 0.04 0.00 0.02 0.00 0.00 56.10 56.22 1rsy s TRP 259 Cb -0.03 -2.16 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 1rsy s TRP 259 CO -0.03 0.01 -0.22 1.03 0.02 0.00 0.00 176.95 177.77 1rsy s ARG 260 N 0.81 2.87 0.12 4.98 1.81 0.31 -4.94 118.95 124.91 1rsy s ARG 260 Ca 0.04 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.91 1rsy s ARG 260 Cb -0.13 -2.31 -0.07 0.00 -0.45 0.00 0.00 34.95 31.98 1rsy s ARG 260 CO 0.02 0.30 1.23 -0.51 -0.68 0.00 0.00 175.30 175.66 1rsy s ASP 261 N 0.06 7.04 0.32 0.23 1.11 -1.26 -0.87 116.67 123.29 1rsy s ASP 261 Ca -0.09 2.15 -0.29 0.00 0.18 0.00 0.00 52.55 54.50 1rsy s ASP 261 Cb -0.15 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.15 1rsy s ASP 261 CO 0.06 -0.46 1.22 -0.76 1.18 0.00 0.00 175.17 176.40 1rsy s LEU 262 N 0.57 4.46 0.07 1.23 1.43 -0.17 -4.86 118.68 121.40 1rsy s LEU 262 Ca 0.57 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 56.19 1rsy s LEU 262 Cb -0.32 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1rsy s LEU 262 CO 0.32 -0.39 0.15 -1.10 0.23 0.00 0.00 176.35 175.56 1rsy s GLN 263 N -1.69 3.20 0.31 1.70 -1.52 0.89 -4.55 119.66 118.00 1rsy s GLN 263 Ca 0.48 -0.54 -0.29 0.00 -1.95 0.00 0.00 55.36 53.05 1rsy s GLN 263 Cb -0.36 -2.91 -0.11 0.00 -0.22 0.00 0.00 33.01 29.42 1rsy s GLN 263 CO 0.47 0.59 1.44 0.45 -0.25 0.00 0.00 175.29 178.00 1rsy s SER 264 N -2.43 6.56 0.00 5.90 0.15 -1.26 -1.57 113.70 121.05 1rsy s SER 264 Ca 0.32 2.82 0.06 0.00 0.70 0.00 0.00 55.95 59.85 1rsy s SER 264 Cb -0.13 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1rsy s SER 264 CO 0.25 -0.74 0.68 0.00 1.20 0.00 0.00 173.24 174.63