#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa s ALA 172 N 0.00 3.61 0.45 7.82 0.00 -1.26 -4.98 121.76 127.40 1yqa s ALA 172 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 1yqa s ALA 172 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1yqa s ALA 172 CO 0.00 -0.94 1.17 -1.54 0.00 0.00 0.00 175.76 174.45 1yqa s SER 173 N 1.96 6.24 -0.02 0.00 1.04 -1.26 -4.95 113.70 116.71 1yqa s SER 173 Ca 0.66 2.33 -0.24 0.00 0.48 0.00 0.00 55.95 59.19 1yqa s SER 173 Cb -0.34 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.13 1yqa s SER 173 CO 0.28 -0.87 0.73 -0.44 0.98 0.00 0.00 173.24 173.93 1yqa s SER 174 N -1.28 7.09 0.00 7.02 0.01 -1.26 -5.07 113.70 120.20 1yqa s SER 174 Ca 0.62 1.31 0.00 0.00 1.31 0.00 0.00 55.95 59.18 1yqa s SER 174 Cb -0.30 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1yqa s SER 174 CO 0.36 -0.06 0.00 -0.81 0.41 0.00 0.00 173.24 173.14 1yqa n PRO 175 N 3.38 3.28 -3.70 12.44 -0.04 -1.26 -4.92 135.00 144.17 1yqa n PRO 175 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1yqa n PRO 175 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1yqa n PRO 175 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1yqa s SER 176 N -1.25 -0.19 -1.46 3.54 0.01 -1.26 -4.83 113.70 108.27 1yqa s SER 176 Ca 0.00 -0.18 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 1yqa s SER 176 Cb 0.00 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.64 1yqa s SER 176 CO 0.00 -0.69 0.75 -1.20 0.41 0.00 0.00 173.24 172.51 1yqa n SER 177 N 0.34 -6.09 -4.85 2.44 7.64 -1.26 -5.01 113.62 106.84 1yqa n SER 177 Ca -0.18 -0.35 -0.23 0.00 1.01 0.00 0.00 58.87 59.13 1yqa n SER 177 Cb 0.61 -4.85 0.07 0.00 -1.01 0.00 0.00 64.21 59.03 1yqa n SER 177 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1yqa s LEU 178 N -6.66 3.08 0.63 -3.43 1.43 -1.26 -5.07 118.68 107.40 1yqa s LEU 178 Ca 0.37 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 1yqa s LEU 178 Cb -0.16 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1yqa s LEU 178 CO 0.46 -1.50 1.09 0.42 0.23 0.00 0.00 176.35 177.05 1yqa s THR 179 N -3.00 3.42 0.46 5.49 -4.23 -1.26 -4.77 115.64 111.75 1yqa s THR 179 Ca 0.61 0.68 0.13 0.00 -1.18 0.00 0.00 61.69 61.94 1yqa s THR 179 Cb -0.08 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.84 1yqa s THR 179 CO 0.42 -0.38 2.06 1.88 -0.54 0.00 0.00 174.62 178.05 1yqa h TYR 180 N 0.29 0.30 0.32 3.99 -1.99 -1.97 0.33 116.97 118.24 1yqa h TYR 180 Ca -0.47 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.25 1yqa h TYR 180 Cb 1.24 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1yqa h TYR 180 CO 0.55 0.17 -0.16 -0.22 -0.00 0.00 0.00 178.16 178.51 1yqa h LYS 181 N 0.30 -0.42 -0.39 4.88 3.64 -1.90 -2.47 116.57 120.21 1yqa h LYS 181 Ca 0.16 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1yqa h LYS 181 Cb 0.24 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1yqa h LYS 181 CO -0.03 -0.20 0.16 0.93 -2.27 0.00 0.00 179.45 178.03 1yqa h GLU 182 N -0.56 0.55 -0.35 1.90 4.39 -1.55 -0.08 114.58 118.88 1yqa h GLU 182 Ca -0.04 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1yqa h GLU 182 Cb 0.41 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1yqa h GLU 182 CO 0.07 0.45 0.15 0.52 -1.16 0.00 0.00 179.01 179.05 1yqa h MET 183 N 0.55 0.31 -0.32 2.33 2.86 -0.19 0.68 114.93 121.14 1yqa h MET 183 Ca 0.14 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1yqa h MET 183 Cb 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1yqa h MET 183 CO -0.01 0.21 -0.23 0.82 1.06 0.00 0.00 176.91 178.75 1yqa h ILE 184 N 0.32 1.29 -0.03 -1.22 2.04 -0.96 -2.14 117.51 116.81 1yqa h ILE 184 Ca 0.15 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1yqa h ILE 184 Cb 0.09 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1yqa h ILE 184 CO -0.13 0.45 0.03 -0.07 0.00 0.00 0.00 178.15 178.43 1yqa h LEU 185 N 0.50 0.00 0.19 1.44 3.38 -0.52 0.52 115.31 120.81 1yqa h LEU 185 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 1yqa h LEU 185 Cb 0.79 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.56 1yqa h LEU 185 CO 0.06 0.00 -1.50 0.50 0.09 0.00 0.00 178.44 177.59 1yqa h LYS 186 N 0.00 0.41 0.02 1.13 1.63 -0.66 -3.38 116.57 115.72 1yqa h LYS 186 Ca 0.01 -0.69 -0.22 0.00 -0.85 0.00 0.00 60.65 58.90 1yqa h LYS 186 Cb 0.07 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1yqa h LYS 186 CO -0.00 1.33 -0.96 0.66 -3.45 0.00 0.00 179.45 177.03 1yqa h SER 187 N -0.01 0.44 -0.10 4.20 4.64 -0.63 -3.37 113.55 118.73 1yqa h SER 187 Ca -0.29 -0.37 0.04 0.00 -0.47 0.00 0.00 61.79 60.71 1yqa h SER 187 Cb 2.01 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.90 1yqa h SER 187 CO 0.19 1.18 -0.31 0.24 -0.87 0.00 0.00 176.83 177.26 1yqa h MET 188 N 0.18 -0.39 -0.03 4.77 2.86 -0.18 -1.06 114.93 121.08 1yqa h MET 188 Ca -0.08 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1yqa h MET 188 Cb 1.60 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 1yqa h MET 188 CO 0.16 -0.26 0.07 -1.00 1.06 0.00 0.00 176.91 176.94 1yqa h PRO 189 N -0.40 0.00 -0.01 -0.22 0.13 -1.75 -1.24 132.00 128.51 1yqa h PRO 189 Ca 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1yqa h PRO 189 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1yqa h PRO 189 CO -0.32 0.00 -0.52 1.96 -0.23 0.00 0.00 178.00 178.88 1yqa h GLN 190 N 0.00 0.38 -6.46 0.86 1.08 -1.40 -2.71 115.11 106.86 1yqa h GLN 190 Ca 0.02 -0.39 -0.57 0.00 -1.45 0.00 0.00 58.65 56.26 1yqa h GLN 190 Cb 0.15 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1yqa h GLN 190 CO -0.00 1.06 1.01 -0.51 -0.95 0.00 0.00 178.83 179.44 1yqa s LEU 191 N -8.40 3.73 -1.49 1.46 1.43 -0.52 -3.59 118.68 111.29 1yqa s LEU 191 Ca -0.14 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1yqa s LEU 191 Cb 0.03 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.78 1yqa s LEU 191 CO 0.81 -1.25 0.89 0.59 0.23 0.00 0.00 176.35 177.62 1yqa n ASN 192 N 8.18 -4.93 -2.95 2.29 3.02 -1.26 -1.12 115.26 118.49 1yqa n ASN 192 Ca 0.15 -0.66 -0.20 0.00 -0.03 0.00 0.00 54.58 53.85 1yqa n ASN 192 Cb 0.47 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1yqa n ASN 192 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yqa n ASP 193 N -2.73 -4.50 -0.25 6.41 8.00 -1.20 -0.94 116.55 121.33 1yqa n ASP 193 Ca 0.02 -0.17 -0.03 0.00 0.71 0.00 0.00 54.79 55.32 1yqa n ASP 193 Cb 0.54 -3.73 -0.01 0.00 -0.02 0.00 0.00 41.12 37.90 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yqa n GLY 194 N -1.14 0.61 0.22 0.44 0.00 -0.28 -4.80 105.19 100.24 1yqa n GLY 194 Ca -0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1yqa n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yqa h LYS 195 N 0.35 0.73 0.00 1.61 1.57 -1.13 -2.99 116.57 116.70 1yqa h LYS 195 Ca -0.07 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1yqa h LYS 195 Cb 0.37 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1yqa h LYS 195 CO 0.10 1.16 0.00 0.41 -0.57 0.00 0.00 179.45 180.55 1yqa n GLY 196 N 0.53 4.30 3.27 3.86 0.00 -1.26 -4.31 105.19 111.58 1yqa n GLY 196 Ca -0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1yqa n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yqa s SER 197 N 0.00 -0.30 0.70 1.61 1.04 0.43 -4.73 113.70 112.44 1yqa s SER 197 Ca 0.00 0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 1yqa s SER 197 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1yqa s SER 197 CO 0.00 -0.32 1.11 -0.24 0.98 0.00 0.00 173.24 174.77 1yqa n SER 198 N 1.96 1.12 -0.32 7.02 2.88 -1.26 -0.47 113.62 124.56 1yqa n SER 198 Ca -0.18 0.72 0.06 0.00 -1.33 0.00 0.00 58.87 58.15 1yqa n SER 198 Cb 0.57 -1.47 0.26 0.00 -0.75 0.00 0.00 64.21 62.81 1yqa n SER 198 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1yqa h ARG 199 N -0.01 0.95 -0.33 -1.46 2.43 -1.93 0.13 114.38 114.16 1yqa h ARG 199 Ca -0.49 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1yqa h ARG 199 Cb 1.33 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1yqa h ARG 199 CO 0.49 0.63 0.17 0.82 -1.51 0.00 0.00 179.97 180.57 1yqa h ILE 200 N 0.98 1.15 -0.29 1.20 1.08 -1.94 0.40 117.51 120.10 1yqa h ILE 200 Ca 0.43 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1yqa h ILE 200 Cb 0.36 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1yqa h ILE 200 CO -0.19 0.16 0.18 0.58 -0.69 0.00 0.00 178.15 178.19 1yqa h VAL 201 N 0.40 1.09 0.09 1.67 2.07 -1.60 0.41 116.25 120.39 1yqa h VAL 201 Ca 0.12 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1yqa h VAL 201 Cb 0.10 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1yqa h VAL 201 CO -0.02 0.09 -0.05 0.25 0.02 0.00 0.00 177.57 177.87 1yqa h LEU 202 N 0.38 -0.11 -0.33 2.57 5.85 -0.55 -1.40 115.31 121.72 1yqa h LEU 202 Ca 0.10 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1yqa h LEU 202 Cb -0.01 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1yqa h LEU 202 CO -0.02 0.12 0.07 0.50 -0.34 0.00 0.00 178.44 178.77 1yqa h LYS 203 N -0.33 0.19 -0.78 1.25 3.64 -0.09 0.44 116.57 120.90 1yqa h LYS 203 Ca -0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1yqa h LYS 203 Cb 0.28 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1yqa h LYS 203 CO 0.02 0.12 0.51 -0.22 -2.27 0.00 0.00 179.45 177.62 1yqa h LYS 204 N 0.19 0.87 -0.00 1.90 3.11 -0.86 0.18 116.57 121.96 1yqa h LYS 204 Ca 0.15 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.83 1yqa h LYS 204 Cb 0.16 -0.20 0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1yqa h LYS 204 CO -0.19 0.58 -0.44 -0.92 -2.81 0.00 0.00 179.45 175.66 1yqa h TYR 205 N 0.90 0.46 -0.21 1.91 3.20 -0.06 -1.98 116.97 121.17 1yqa h TYR 205 Ca 0.32 -0.24 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1yqa h TYR 205 Cb 0.13 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1yqa h TYR 205 CO -0.00 1.05 0.13 0.28 -1.64 0.00 0.00 178.16 177.99 1yqa h VAL 206 N -0.27 1.08 -0.27 1.81 2.07 0.15 0.68 116.25 121.50 1yqa h VAL 206 Ca -0.05 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1yqa h VAL 206 Cb 1.17 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1yqa h VAL 206 CO 0.09 0.08 -0.09 0.11 0.02 0.00 0.00 177.57 177.78 1yqa h LYS 207 N 0.27 0.44 -0.03 1.57 1.57 -0.73 0.26 116.57 119.91 1yqa h LYS 207 Ca 0.08 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1yqa h LYS 207 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1yqa h LYS 207 CO -0.01 0.54 -0.18 0.22 -0.57 0.00 0.00 179.45 179.44 1yqa h ASP 208 N 0.41 0.22 0.86 0.86 3.58 -0.95 -3.28 116.42 118.13 1yqa h ASP 208 Ca 0.08 -0.68 -0.20 0.00 0.42 0.00 0.00 57.03 56.66 1yqa h ASP 208 Cb 0.41 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1yqa h ASP 208 CO 0.02 0.86 -0.95 0.71 -2.88 0.00 0.00 179.24 177.00 1yqa h THR 209 N -0.41 1.63 -3.57 2.25 1.35 -0.79 -3.38 112.91 109.99 1yqa h THR 209 Ca -0.01 -3.10 -0.72 0.00 -0.55 0.00 0.00 66.41 62.03 1yqa h THR 209 Cb 0.86 2.70 -0.33 0.00 -1.73 0.00 0.00 68.15 69.65 1yqa h THR 209 CO 0.04 0.89 -0.28 -0.31 -0.25 0.00 0.00 175.52 175.60 1yqa s TYR 210 N -2.91 3.49 0.58 4.73 1.51 0.90 -4.85 117.35 120.80 1yqa s TYR 210 Ca -0.00 -2.48 0.28 0.00 -1.01 0.00 0.00 57.07 53.85 1yqa s TYR 210 Cb 0.10 -3.35 1.55 0.00 -0.11 0.00 0.00 41.96 40.15 1yqa s TYR 210 CO 0.82 -0.89 2.03 -1.35 -1.11 0.00 0.00 175.55 175.04 1yqa h PRO 211 N 7.36 0.00 -0.33 -1.71 0.11 -1.75 -1.40 132.00 134.27 1yqa h PRO 211 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 1yqa h PRO 211 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1yqa h PRO 211 CO 0.73 0.00 -0.35 -0.84 -0.21 0.00 0.00 178.00 177.33 1yqa h ILE 212 N 0.00 1.28 0.00 4.15 3.07 -1.92 -0.45 117.51 123.64 1yqa h ILE 212 Ca 0.15 -1.51 -0.06 0.00 1.55 0.00 0.00 64.86 64.98 1yqa h ILE 212 Cb 0.76 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 1yqa h ILE 212 CO -0.00 0.49 -0.31 -0.37 -1.05 0.00 0.00 178.15 176.91 1yqa h VAL 213 N 0.62 0.54 -0.21 0.16 -1.51 -1.58 -1.82 116.25 112.44 1yqa h VAL 213 Ca 0.06 -1.72 -0.08 0.00 -1.23 0.00 0.00 66.70 63.73 1yqa h VAL 213 Cb 0.89 2.24 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 1yqa h VAL 213 CO 0.08 0.30 -0.17 1.23 -1.23 0.00 0.00 177.57 177.79 1yqa h GLY 214 N 3.60 0.52 1.22 5.19 0.00 -0.95 -3.19 103.07 109.46 1yqa h GLY 214 Ca -0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1yqa h GLY 214 CO 0.04 0.46 -0.40 1.76 0.00 0.00 0.00 176.54 178.41 1yqa h SER 215 N 0.17 0.91 -2.75 0.19 0.02 -1.08 -3.43 113.55 107.58 1yqa h SER 215 Ca 0.04 -0.42 -0.55 0.00 -0.84 0.00 0.00 61.79 60.02 1yqa h SER 215 Cb 0.69 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1yqa h SER 215 CO 0.04 1.19 0.99 0.00 -1.14 0.00 0.00 176.83 177.91 1yqa s ALA 216 N -4.35 3.63 0.07 3.77 0.00 -0.69 -4.89 121.76 119.30 1yqa s ALA 216 Ca -0.10 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1yqa s ALA 216 Cb 0.11 -3.68 -0.28 0.00 0.00 0.00 0.00 23.12 19.27 1yqa s ALA 216 CO 0.87 -1.24 1.10 0.77 0.00 0.00 0.00 175.76 177.26 1yqa h SER 217 N 8.82 0.40 0.75 0.00 0.02 -1.83 -3.19 113.55 118.52 1yqa h SER 217 Ca -0.35 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.15 1yqa h SER 217 Cb 1.15 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1yqa h SER 217 CO 0.95 1.35 -0.03 -1.13 -1.14 0.00 0.00 176.83 176.83 1yqa h ASN 218 N 0.07 0.00 -0.67 3.07 -1.24 -1.94 -3.08 115.58 111.79 1yqa h ASN 218 Ca -0.14 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.01 1yqa h ASN 218 Cb 1.97 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.90 1yqa h ASN 218 CO 0.19 0.03 -0.02 0.15 -1.29 0.00 0.00 177.43 176.50 1yqa h PHE 219 N 0.00 -0.08 -0.82 0.67 3.57 -1.85 -2.14 116.94 116.29 1yqa h PHE 219 Ca -0.00 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1yqa h PHE 219 Cb 0.42 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1yqa h PHE 219 CO 0.00 -0.21 0.53 -0.44 -2.23 0.00 0.00 178.31 175.97 1yqa h ASP 220 N 0.10 0.55 -0.11 0.41 3.32 -1.74 0.63 116.42 119.57 1yqa h ASP 220 Ca 0.35 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 1yqa h ASP 220 Cb 0.59 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1yqa h ASP 220 CO -0.60 0.29 -0.13 0.22 -1.72 0.00 0.00 179.24 177.31 1yqa h TYR 221 N 0.59 0.35 -0.20 4.55 3.20 -1.62 -2.89 116.97 120.95 1yqa h TYR 221 Ca 0.40 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1yqa h TYR 221 Cb 0.71 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1yqa h TYR 221 CO -0.00 0.71 0.06 -0.07 -1.64 0.00 0.00 178.16 177.22 1yqa h LEU 222 N -0.11 0.25 -0.09 2.82 3.38 -0.92 -1.56 115.31 119.08 1yqa h LEU 222 Ca 0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1yqa h LEU 222 Cb 0.66 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1yqa h LEU 222 CO 0.03 0.25 -0.05 0.15 0.09 0.00 0.00 178.44 178.91 1yqa h PHE 223 N 0.28 -0.12 -0.58 1.13 3.57 0.30 0.34 116.94 121.87 1yqa h PHE 223 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1yqa h PHE 223 Cb 0.10 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1yqa h PHE 223 CO 0.00 -0.08 0.16 -0.97 -2.23 0.00 0.00 178.31 175.19 1yqa h ASN 224 N -0.05 0.82 -0.42 0.41 -0.00 -1.16 -2.17 115.58 113.02 1yqa h ASN 224 Ca 0.05 -0.14 -0.10 0.00 -0.00 0.00 0.00 56.30 56.11 1yqa h ASN 224 Cb 0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.21 1yqa h ASN 224 CO -0.12 0.79 -0.12 -1.28 -0.00 0.00 0.00 177.43 176.71 1yqa h SER 225 N 0.86 0.88 -0.50 1.15 0.87 -0.70 -1.56 113.55 114.55 1yqa h SER 225 Ca 0.19 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1yqa h SER 225 Cb 0.28 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1yqa h SER 225 CO -0.00 1.01 0.24 0.00 -0.53 0.00 0.00 176.83 177.55 1yqa h ALA 226 N 1.07 0.64 -0.57 6.23 0.00 0.18 -1.44 119.26 125.37 1yqa h ALA 226 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1yqa h ALA 226 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1yqa h ALA 226 CO 0.04 0.20 0.18 0.82 0.00 0.00 0.00 179.25 180.50 1yqa h ILE 227 N 0.66 1.24 -0.94 0.00 2.04 -1.19 0.79 117.51 120.10 1yqa h ILE 227 Ca 0.17 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1yqa h ILE 227 Cb 0.11 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1yqa h ILE 227 CO -0.02 0.30 0.61 0.50 0.00 0.00 0.00 178.15 179.54 1yqa h LYS 228 N 0.80 1.04 -0.08 2.37 3.64 -0.99 0.43 116.57 123.78 1yqa h LYS 228 Ca 0.18 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 1yqa h LYS 228 Cb 0.28 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1yqa h LYS 228 CO -0.01 0.69 -0.71 -0.22 -2.27 0.00 0.00 179.45 176.93 1yqa h LYS 229 N 1.08 0.40 -0.58 1.90 1.63 -0.69 -3.24 116.57 117.07 1yqa h LYS 229 Ca 0.40 -0.32 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 1yqa h LYS 229 Cb 0.19 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1yqa h LYS 229 CO -0.15 0.96 -0.03 0.00 -3.45 0.00 0.00 179.45 176.77 1yqa h VAL 231 N 0.94 1.26 -0.02 0.00 -1.51 -0.92 0.25 116.25 116.25 1yqa h VAL 231 Ca 0.16 -0.97 -0.14 0.00 -1.23 0.00 0.00 66.70 64.52 1yqa h VAL 231 Cb 0.59 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1yqa h VAL 231 CO 0.04 0.37 -0.64 1.05 -1.23 0.00 0.00 177.57 177.15 1yqa h GLU 232 N 0.99 0.07 0.00 5.19 4.11 -1.63 -2.84 114.58 120.47 1yqa h GLU 232 Ca 0.20 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1yqa h GLU 232 Cb 0.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yqa h GLU 232 CO 0.01 0.69 0.00 -0.91 0.07 0.00 0.00 179.01 178.86 1yqa h ASN 233 N 0.05 0.00 -0.16 3.06 2.35 -1.00 -3.47 115.58 116.41 1yqa h ASN 233 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1yqa h ASN 233 Cb 1.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1yqa h ASN 233 CO 0.09 0.00 -0.06 0.61 -1.65 0.00 0.00 177.43 176.41 1yqa n GLY 234 N 0.93 0.65 0.07 2.83 0.00 0.61 -4.93 105.19 105.36 1yqa n GLY 234 Ca 0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1yqa n GLY 234 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yqa h GLU 235 N 0.05 -0.00 -6.66 1.61 4.39 -1.05 -3.01 114.58 109.90 1yqa h GLU 235 Ca -0.07 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.97 1yqa h GLU 235 Cb 0.23 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.69 1yqa h GLU 235 CO 0.10 0.89 -0.83 -0.51 -1.16 0.00 0.00 179.01 177.50 1yqa s LEU 236 N -8.27 2.40 -0.05 1.33 1.43 -1.12 -1.79 118.68 112.62 1yqa s LEU 236 Ca -0.17 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.12 1yqa s LEU 236 Cb -0.03 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1yqa s LEU 236 CO 0.62 0.13 -0.14 0.68 0.23 0.00 0.00 176.35 177.87 1yqa s VAL 237 N -1.53 1.25 -0.43 -1.59 -7.23 0.02 -3.11 120.40 107.78 1yqa s VAL 237 Ca 0.19 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1yqa s VAL 237 Cb -0.08 -1.11 0.12 0.00 0.56 0.00 0.00 36.38 35.87 1yqa s VAL 237 CO 0.09 0.37 0.20 -1.10 -0.31 0.00 0.00 175.10 174.35 1yqa s GLN 238 N 0.35 1.45 0.28 4.82 -1.52 -1.26 -0.85 119.66 122.92 1yqa s GLN 238 Ca -0.09 -2.05 0.00 0.00 -1.95 0.00 0.00 55.36 51.27 1yqa s GLN 238 Cb -0.13 -2.71 0.39 0.00 -0.22 0.00 0.00 33.01 30.34 1yqa s GLN 238 CO 0.03 -1.09 1.76 -1.00 -0.25 0.00 0.00 175.29 174.74 1yqa h PRO 239 N 6.97 0.66 0.08 2.91 0.13 -1.99 -3.26 132.00 137.50 1yqa h PRO 239 Ca -0.05 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1yqa h PRO 239 Cb 0.94 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1yqa h PRO 239 CO 0.55 0.74 -0.04 0.87 -0.23 0.00 0.00 178.00 179.89 1yqa h LYS 240 N 0.61 -0.10 0.00 0.86 6.56 -1.86 -3.51 116.57 119.14 1yqa h LYS 240 Ca 0.11 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1yqa h LYS 240 Cb 0.50 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1yqa h LYS 240 CO 0.03 0.40 0.00 0.41 -2.06 0.00 0.00 179.45 178.23 1yqa n GLY 241 N 0.42 0.50 0.16 3.86 0.00 -1.23 -4.88 105.19 104.01 1yqa n GLY 241 Ca -0.08 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1yqa n GLY 241 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yqa h PRO 242 N 0.00 -0.29 -5.16 1.61 0.11 -1.97 -3.41 132.00 122.89 1yqa h PRO 242 Ca 0.00 0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.51 1yqa h PRO 242 Cb 0.00 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.04 1yqa h PRO 242 CO 0.00 0.01 -0.45 -1.12 -0.21 0.00 0.00 178.00 176.23 1yqa s SER 243 N -5.17 6.18 0.00 -2.05 0.01 -1.26 -4.89 113.70 106.51 1yqa s SER 243 Ca -0.15 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1yqa s SER 243 Cb 0.03 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1yqa s SER 243 CO 0.59 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1yqa n GLY 244 N 4.16 -0.55 3.32 3.44 0.00 -1.26 -4.76 105.19 109.54 1yqa n GLY 244 Ca -0.14 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 1yqa n GLY 244 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yqa s ILE 245 N 0.00 -0.53 -0.29 -0.61 2.07 -1.26 -4.31 121.20 116.26 1yqa s ILE 245 Ca 0.00 0.13 -0.24 0.00 -1.41 0.00 0.00 60.65 59.12 1yqa s ILE 245 Cb 0.00 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.88 1yqa s ILE 245 CO 0.00 0.05 0.83 -0.63 -1.91 0.00 0.00 174.94 173.28 1yqa s ILE 246 N 2.35 4.77 -0.13 2.00 1.09 0.38 -4.38 121.20 127.29 1yqa s ILE 246 Ca -0.04 1.34 -0.05 0.00 -1.10 0.00 0.00 60.65 60.80 1yqa s ILE 246 Cb -0.11 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1yqa s ILE 246 CO -0.14 -0.23 0.06 -0.54 -0.10 0.00 0.00 174.94 173.99 1yqa s LYS 247 N 3.01 3.48 -0.78 2.79 1.02 -0.03 -0.43 119.74 128.80 1yqa s LYS 247 Ca 0.34 -0.31 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 1yqa s LYS 247 Cb -0.14 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1yqa s LYS 247 CO 0.12 0.56 1.55 -1.17 -0.92 0.00 0.00 175.35 175.48 1yqa s LEU 248 N -0.44 3.26 0.00 3.17 1.98 -1.13 -0.80 118.68 124.71 1yqa s LEU 248 Ca 0.10 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 50.88 1yqa s LEU 248 Cb -0.12 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.18 1yqa s LEU 248 CO 0.02 -2.03 0.29 -3.20 -1.89 0.00 0.00 176.35 169.54 1yqa n ASN 249 N 10.75 0.00 -4.22 3.68 4.05 -0.74 -4.83 115.26 123.96 1yqa n ASN 249 Ca 0.18 0.63 -0.33 0.00 0.45 0.00 0.00 54.58 55.51 1yqa n ASN 249 Cb 0.50 -0.48 -0.05 0.00 1.23 0.00 0.00 39.78 40.97 1yqa n ASN 249 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1yqa n LYS 250 N -1.95 -2.23 -0.05 1.20 4.81 -0.76 -4.84 118.16 114.33 1yqa n LYS 250 Ca 0.00 0.27 -0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1yqa n LYS 250 Cb 0.00 -4.45 -0.08 0.00 0.02 0.00 0.00 35.03 30.52 1yqa n LYS 250 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yqa n LYS 251 N -4.40 1.89 -0.06 1.64 3.00 -1.26 -4.53 118.16 114.45 1yqa n LYS 251 Ca -0.15 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1yqa n LYS 251 Cb 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.37 1yqa n LYS 251 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1yqa n LYS 252 N -2.49 0.99 -3.15 1.64 2.85 -1.26 -4.40 118.16 112.34 1yqa n LYS 252 Ca -0.18 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.13 1yqa n LYS 252 Cb 0.81 -1.01 -0.01 0.00 -0.65 0.00 0.00 35.03 34.18 1yqa n LYS 252 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1yqa s VAL 253 N 0.01 -0.77 -0.07 0.58 0.11 -1.26 -5.04 120.40 113.97 1yqa s VAL 253 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1yqa s VAL 253 Cb 0.00 -0.92 0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1yqa s VAL 253 CO 0.00 0.00 0.93 2.29 -3.33 0.00 0.00 175.10 174.99 1yqa n LYS 254 N 5.41 0.28 -3.72 1.54 2.85 -1.26 -5.00 118.16 118.26 1yqa n LYS 254 Ca -0.00 -0.84 -0.23 0.00 -1.05 0.00 0.00 58.31 56.20 1yqa n LYS 254 Cb 0.53 0.46 0.04 0.00 -0.65 0.00 0.00 35.03 35.41 1yqa n LYS 254 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yqa n LEU 255 N -0.32 -3.07 -2.35 -5.58 7.99 -1.26 -4.79 117.00 107.61 1yqa n LEU 255 Ca -0.20 -0.79 -0.13 0.00 -0.01 0.00 0.00 56.01 54.87 1yqa n LEU 255 Cb 0.66 -2.68 -0.11 0.00 -0.11 0.00 0.00 43.42 41.18 1yqa n LEU 255 CO -0.12 0.42 1.65 -1.20 -1.51 0.00 0.00 177.39 176.63 1yqa n SER 256 N -3.02 4.50 0.00 -1.43 7.64 -1.26 -5.30 113.62 114.75 1yqa n SER 256 Ca -0.23 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1yqa n SER 256 Cb 0.65 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1yqa n SER 256 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44