#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa n ALA 172 N 0.00 4.88 -2.54 3.14 0.00 -1.26 -4.89 120.51 119.85 1yqa n ALA 172 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 53.44 52.19 1yqa n ALA 172 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1yqa n ALA 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yqa s SER 173 N 1.64 7.06 -0.21 0.00 0.15 -1.26 -5.01 113.70 116.08 1yqa s SER 173 Ca 0.24 1.27 -0.16 0.00 0.70 0.00 0.00 55.95 58.00 1yqa s SER 173 Cb 0.14 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1yqa s SER 173 CO -0.01 -0.01 0.41 -0.44 1.20 0.00 0.00 173.24 174.39 1yqa s SER 174 N 0.22 6.42 0.00 5.45 0.01 -1.26 -5.07 113.70 119.47 1yqa s SER 174 Ca 0.36 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1yqa s SER 174 Cb -0.19 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1yqa s SER 174 CO 0.19 -0.11 0.00 -2.65 0.41 0.00 0.00 173.24 171.09 1yqa n PRO 175 N 4.65 2.29 0.00 12.44 -0.02 -1.26 -4.94 135.00 148.16 1yqa n PRO 175 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1yqa n PRO 175 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1yqa n PRO 175 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1yqa n SER 176 N 0.00 0.00 -3.39 2.55 7.64 -1.26 -4.62 113.62 114.54 1yqa n SER 176 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1yqa n SER 176 Cb 0.00 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1yqa n SER 176 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1yqa n SER 177 N -2.19 6.04 -4.20 6.43 7.64 -1.26 -4.84 113.62 121.24 1yqa n SER 177 Ca 0.00 -2.56 -0.15 0.00 1.01 0.00 0.00 58.87 57.17 1yqa n SER 177 Cb 0.00 -1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 61.70 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 0.65 2.43 0.50 -3.43 1.43 -1.26 -5.13 118.68 113.88 1yqa s LEU 178 Ca 0.55 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 1yqa s LEU 178 Cb 0.15 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.95 1yqa s LEU 178 CO -0.04 -0.26 1.31 -0.89 0.23 0.00 0.00 176.35 176.70 1yqa s THR 179 N -2.59 2.41 0.38 5.49 2.01 -1.26 -4.69 115.64 117.38 1yqa s THR 179 Ca 0.09 0.32 0.14 0.00 0.31 0.00 0.00 61.69 62.55 1yqa s THR 179 Cb -0.02 -3.17 0.36 0.00 0.01 0.00 0.00 72.50 69.68 1yqa s THR 179 CO 0.01 0.01 1.80 1.88 -0.69 0.00 0.00 174.62 177.63 1yqa h TYR 180 N 1.83 0.74 0.27 4.92 -1.99 -1.96 0.19 116.97 120.97 1yqa h TYR 180 Ca -0.50 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.24 1yqa h TYR 180 Cb 1.28 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1yqa h TYR 180 CO 0.49 0.14 -0.13 -0.22 -0.00 0.00 0.00 178.16 178.44 1yqa h LYS 181 N 0.51 -0.35 -0.78 4.88 3.64 -1.89 -1.89 116.57 120.68 1yqa h LYS 181 Ca 0.55 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 60.00 1yqa h LYS 181 Cb 1.21 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1yqa h LYS 181 CO -0.28 -0.13 0.51 0.93 -2.27 0.00 0.00 179.45 178.22 1yqa h GLU 182 N -0.52 0.85 0.17 1.90 4.39 -1.43 -1.64 114.58 118.29 1yqa h GLU 182 Ca -0.04 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1yqa h GLU 182 Cb 0.39 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1yqa h GLU 182 CO 0.06 0.56 -0.18 0.52 -1.16 0.00 0.00 179.01 178.81 1yqa h MET 183 N 0.87 -0.37 0.31 2.33 2.86 -0.45 -1.10 114.93 119.38 1yqa h MET 183 Ca 0.33 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 1yqa h MET 183 Cb 0.18 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1yqa h MET 183 CO -0.11 -0.25 -0.15 0.82 1.06 0.00 0.00 176.91 178.29 1yqa h ILE 184 N -0.38 0.72 -0.82 -1.22 2.04 -0.73 -1.68 117.51 115.44 1yqa h ILE 184 Ca 0.01 -0.24 0.21 0.00 1.00 0.00 0.00 64.86 65.83 1yqa h ILE 184 Cb 0.37 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1yqa h ILE 184 CO -0.06 0.05 0.57 -0.07 0.00 0.00 0.00 178.15 178.64 1yqa h LEU 185 N -0.54 0.18 -0.08 1.44 4.07 -1.29 0.49 115.31 119.58 1yqa h LEU 185 Ca -0.04 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 1yqa h LEU 185 Cb 0.40 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.14 1yqa h LEU 185 CO 0.07 0.07 -0.69 0.50 -1.08 0.00 0.00 178.44 177.31 1yqa h LYS 186 N 0.18 0.60 0.00 1.13 1.63 -0.84 -3.31 116.57 115.96 1yqa h LYS 186 Ca 0.41 -0.55 -0.15 0.00 -0.85 0.00 0.00 60.65 59.51 1yqa h LYS 186 Cb 1.32 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.06 1yqa h LYS 186 CO -0.08 1.17 -0.73 0.66 -3.45 0.00 0.00 179.45 177.01 1yqa h SER 187 N 0.23 0.00 -0.34 4.20 4.64 -0.08 -3.37 113.55 118.83 1yqa h SER 187 Ca -0.06 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1yqa h SER 187 Cb 1.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1yqa h SER 187 CO 0.14 0.73 -0.13 0.24 -0.87 0.00 0.00 176.83 176.94 1yqa h MET 188 N 0.00 -0.06 0.00 4.77 2.86 -0.20 -1.80 114.93 120.50 1yqa h MET 188 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1yqa h MET 188 Cb 1.48 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1yqa h MET 188 CO 0.10 -0.04 0.00 -1.00 1.06 0.00 0.00 176.91 177.02 1yqa h PRO 189 N -0.06 0.00 0.01 -0.22 0.13 -1.73 -2.20 132.00 127.93 1yqa h PRO 189 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1yqa h PRO 189 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1yqa h PRO 189 CO -0.39 0.00 -0.17 1.96 -0.23 0.00 0.00 178.00 179.17 1yqa h GLN 190 N 0.00 0.10 -6.24 0.86 1.08 -1.56 -2.48 115.11 106.87 1yqa h GLN 190 Ca 0.00 -0.12 -0.56 0.00 -1.45 0.00 0.00 58.65 56.53 1yqa h GLN 190 Cb 0.03 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1yqa h GLN 190 CO 0.00 0.93 0.93 -0.51 -0.95 0.00 0.00 178.83 179.23 1yqa s LEU 191 N -8.42 4.26 -1.40 1.46 1.43 -0.83 -3.11 118.68 112.06 1yqa s LEU 191 Ca -0.17 1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 54.78 1yqa s LEU 191 Cb -0.01 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.74 1yqa s LEU 191 CO 0.72 -0.79 0.63 0.59 0.23 0.00 0.00 176.35 177.73 1yqa n ASN 192 N 6.43 -4.38 -2.56 2.29 3.02 -1.26 -0.83 115.26 117.96 1yqa n ASN 192 Ca 0.15 -0.48 -0.17 0.00 -0.03 0.00 0.00 54.58 54.05 1yqa n ASN 192 Cb 0.44 -3.57 -0.00 0.00 -0.61 0.00 0.00 39.78 36.04 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 -2.46 -4.80 -1.16 6.41 8.00 -1.18 -1.48 116.55 119.88 1yqa n ASP 193 Ca -0.02 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 1yqa n ASP 193 Cb 0.55 -4.01 -0.02 0.00 -0.02 0.00 0.00 41.12 37.61 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 -0.98 0.48 0.14 0.44 0.00 -0.01 -4.88 105.19 100.38 1yqa n GLY 194 Ca -0.17 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.40 0.00 1.61 1.79 -1.39 -3.42 116.57 115.56 1yqa h LYS 195 Ca -0.26 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.52 1yqa h LYS 195 Cb 1.02 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1yqa h LYS 195 CO 0.34 1.31 0.00 0.41 -1.08 0.00 0.00 179.45 180.43 1yqa n GLY 196 N 1.81 2.34 3.27 3.86 0.00 -1.26 -4.67 105.19 110.54 1yqa n GLY 196 Ca -0.22 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1yqa n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa s SER 197 N 0.00 3.61 0.61 1.61 0.01 0.19 -4.68 113.70 115.05 1yqa s SER 197 Ca 0.00 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 1yqa s SER 197 Cb 0.00 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1yqa s SER 197 CO 0.00 0.10 1.20 -0.94 0.41 0.00 0.00 173.24 174.02 1yqa s SER 198 N 0.71 5.06 0.27 2.44 1.04 -1.26 0.62 113.70 122.59 1yqa s SER 198 Ca -0.07 2.37 0.01 0.00 0.48 0.00 0.00 55.95 58.74 1yqa s SER 198 Cb -0.16 -2.60 0.62 0.00 0.10 0.00 0.00 66.02 63.98 1yqa s SER 198 CO 0.01 -1.68 1.73 -0.09 0.98 0.00 0.00 173.24 174.19 1yqa h ARG 199 N 0.70 0.49 -0.03 4.02 9.65 -1.90 -0.47 114.38 126.85 1yqa h ARG 199 Ca -0.50 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.34 1yqa h ARG 199 Cb 1.30 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1yqa h ARG 199 CO 0.54 0.33 -0.01 0.82 2.80 0.00 0.00 179.97 184.45 1yqa h ILE 200 N 0.51 1.31 -0.47 1.20 1.08 -1.94 -0.31 117.51 118.90 1yqa h ILE 200 Ca 0.50 -0.95 -0.05 0.00 -0.39 0.00 0.00 64.86 63.98 1yqa h ILE 200 Cb 0.84 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 1yqa h ILE 200 CO -0.44 0.25 0.09 1.62 -0.69 0.00 0.00 178.15 178.99 1yqa h VAL 201 N -0.32 1.21 -0.03 1.67 3.04 -1.80 0.18 116.25 120.20 1yqa h VAL 201 Ca 0.01 -0.77 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1yqa h VAL 201 Cb 0.41 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1yqa h VAL 201 CO 0.00 0.28 -0.04 0.25 -1.01 0.00 0.00 177.57 177.06 1yqa h LEU 202 N 0.69 0.09 -0.65 3.16 5.85 -1.09 -1.91 115.31 121.45 1yqa h LEU 202 Ca 0.15 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1yqa h LEU 202 Cb 0.29 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1yqa h LEU 202 CO 0.00 0.57 0.42 0.50 -0.34 0.00 0.00 178.44 179.59 1yqa h LYS 203 N -0.38 0.81 -0.48 1.25 3.64 -0.79 0.43 116.57 121.05 1yqa h LYS 203 Ca 0.01 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1yqa h LYS 203 Cb 0.55 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1yqa h LYS 203 CO 0.01 0.54 -0.09 1.57 -2.27 0.00 0.00 179.45 179.21 1yqa h LYS 204 N 0.83 0.86 -0.17 1.90 2.10 -1.00 -0.00 116.57 121.10 1yqa h LYS 204 Ca 0.25 -0.29 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1yqa h LYS 204 Cb -0.05 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1yqa h LYS 204 CO -0.07 0.91 -0.27 -0.92 -2.00 0.00 0.00 179.45 177.10 1yqa h TYR 205 N 0.78 0.59 -0.60 0.07 3.20 -0.66 -0.23 116.97 120.12 1yqa h TYR 205 Ca 0.13 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1yqa h TYR 205 Cb 0.59 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1yqa h TYR 205 CO 0.03 0.90 0.39 0.28 -1.64 0.00 0.00 178.16 178.12 1yqa h VAL 206 N 0.11 1.13 -0.40 1.81 2.07 -0.07 0.32 116.25 121.23 1yqa h VAL 206 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1yqa h VAL 206 Cb 0.84 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1yqa h VAL 206 CO 0.06 0.14 0.17 0.11 0.02 0.00 0.00 177.57 178.07 1yqa h LYS 207 N 0.78 0.58 -0.06 1.57 1.57 -0.91 -0.47 116.57 119.63 1yqa h LYS 207 Ca 0.23 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1yqa h LYS 207 Cb -0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1yqa h LYS 207 CO -0.07 0.54 -0.17 0.22 -0.57 0.00 0.00 179.45 179.40 1yqa h ASP 208 N 0.50 0.25 -0.15 0.86 3.58 -0.62 -3.35 116.42 117.49 1yqa h ASP 208 Ca 0.13 -0.61 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 1yqa h ASP 208 Cb 0.16 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1yqa h ASP 208 CO -0.01 0.82 -0.24 0.74 -2.88 0.00 0.00 179.24 177.66 1yqa h THR 209 N -0.30 1.36 -3.34 2.25 2.02 -0.41 -3.40 112.91 111.10 1yqa h THR 209 Ca -0.01 -1.47 -0.73 0.00 0.77 0.00 0.00 66.41 64.97 1yqa h THR 209 Cb 0.79 1.96 -0.26 0.00 -1.74 0.00 0.00 68.15 68.90 1yqa h THR 209 CO 0.04 0.44 -0.38 -0.31 0.37 0.00 0.00 175.52 175.67 1yqa s TYR 210 N -4.11 3.31 -0.28 3.16 1.51 -0.19 -4.88 117.35 115.88 1yqa s TYR 210 Ca -0.14 -1.34 0.24 0.00 -1.01 0.00 0.00 57.07 54.82 1yqa s TYR 210 Cb 0.05 -3.20 1.14 0.00 -0.11 0.00 0.00 41.96 39.85 1yqa s TYR 210 CO 0.78 -0.87 1.72 -1.35 -1.11 0.00 0.00 175.55 174.72 1yqa h PRO 211 N 8.59 0.00 -0.27 -1.71 0.11 -1.78 -2.91 132.00 134.03 1yqa h PRO 211 Ca -0.25 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1yqa h PRO 211 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yqa h PRO 211 CO 0.85 0.00 -0.04 0.82 -0.21 0.00 0.00 178.00 179.41 1yqa h ILE 212 N 0.00 1.27 -0.02 4.15 2.04 -1.91 -2.68 117.51 120.36 1yqa h ILE 212 Ca 0.00 -1.03 -0.14 0.00 1.00 0.00 0.00 64.86 64.68 1yqa h ILE 212 Cb 0.18 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1yqa h ILE 212 CO 0.00 0.33 -0.65 -0.37 0.00 0.00 0.00 178.15 177.46 1yqa h VAL 213 N 0.26 1.44 -0.68 1.67 -1.51 -1.82 -1.91 116.25 113.71 1yqa h VAL 213 Ca 0.07 -2.16 -0.03 0.00 -1.23 0.00 0.00 66.70 63.36 1yqa h VAL 213 Cb 0.50 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 1yqa h VAL 213 CO 0.02 0.63 0.32 1.23 -1.23 0.00 0.00 177.57 178.54 1yqa h GLY 214 N 1.76 1.06 1.61 5.19 0.00 -1.57 -2.58 103.07 108.54 1yqa h GLY 214 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 1yqa h GLY 214 CO 0.09 0.50 -0.60 1.76 0.00 0.00 0.00 176.54 178.30 1yqa h SER 215 N 0.95 0.45 -2.62 0.19 0.02 -1.37 -3.44 113.55 107.73 1yqa h SER 215 Ca 0.23 -0.25 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 1yqa h SER 215 Cb 0.13 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1yqa h SER 215 CO -0.03 0.94 1.05 0.00 -1.14 0.00 0.00 176.83 177.65 1yqa s ALA 216 N -3.84 3.73 0.02 3.77 0.00 -0.73 -4.91 121.76 119.80 1yqa s ALA 216 Ca -0.06 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1yqa s ALA 216 Cb 0.11 -3.73 -0.24 0.00 0.00 0.00 0.00 23.12 19.27 1yqa s ALA 216 CO 0.82 -1.15 1.11 0.77 0.00 0.00 0.00 175.76 177.31 1yqa h SER 217 N 8.37 0.63 -0.75 0.00 0.02 -1.86 -3.24 113.55 116.72 1yqa h SER 217 Ca -0.44 -0.77 -0.47 0.00 -0.84 0.00 0.00 61.79 59.27 1yqa h SER 217 Cb 1.21 -0.19 -0.22 0.00 0.14 0.00 0.00 62.40 63.33 1yqa h SER 217 CO 0.94 1.32 0.61 -3.20 -1.14 0.00 0.00 176.83 175.35 1yqa n ASN 218 N -4.12 5.98 -0.01 3.07 5.15 -1.26 -4.55 115.26 119.52 1yqa n ASN 218 Ca -0.11 -3.37 -0.11 0.00 -0.60 0.00 0.00 54.58 50.39 1yqa n ASN 218 Cb 0.74 -0.93 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1yqa h PHE 219 N 1.43 0.14 -0.81 1.20 3.57 -1.84 -3.12 116.94 117.51 1yqa h PHE 219 Ca 0.46 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.09 1yqa h PHE 219 Cb 1.36 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 1yqa h PHE 219 CO 1.16 0.19 0.41 0.22 -2.23 0.00 0.00 178.31 178.05 1yqa h ASP 220 N 0.05 0.50 -0.29 0.41 3.58 -1.88 0.59 116.42 119.38 1yqa h ASP 220 Ca 0.03 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1yqa h ASP 220 Cb 0.10 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1yqa h ASP 220 CO -0.00 0.23 0.14 0.22 -2.88 0.00 0.00 179.24 176.95 1yqa h TYR 221 N 0.61 0.41 -0.76 0.28 3.20 -1.93 0.72 116.97 119.50 1yqa h TYR 221 Ca 0.43 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 1yqa h TYR 221 Cb 0.57 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1yqa h TYR 221 CO -0.10 0.36 0.26 -0.07 -1.64 0.00 0.00 178.16 176.97 1yqa h LEU 222 N 0.33 1.08 0.43 2.82 3.38 -1.08 0.28 115.31 122.54 1yqa h LEU 222 Ca 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1yqa h LEU 222 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1yqa h LEU 222 CO -0.01 0.99 -0.20 0.15 0.09 0.00 0.00 178.44 179.45 1yqa h PHE 223 N 1.11 -0.53 -0.28 1.13 3.57 0.41 -0.80 116.94 121.55 1yqa h PHE 223 Ca 0.25 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1yqa h PHE 223 Cb 0.28 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1yqa h PHE 223 CO 0.02 -0.30 -0.03 -0.97 -2.23 0.00 0.00 178.31 174.80 1yqa h ASN 224 N -0.63 0.41 -0.82 0.41 -1.24 -0.74 -2.20 115.58 110.78 1yqa h ASN 224 Ca -0.06 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 1yqa h ASN 224 Cb 0.47 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 1yqa h ASN 224 CO 0.10 0.51 0.43 -1.28 -1.29 0.00 0.00 177.43 175.90 1yqa h SER 225 N 0.42 1.04 -0.36 1.15 0.87 -0.14 0.44 113.55 116.97 1yqa h SER 225 Ca 0.09 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1yqa h SER 225 Cb 0.34 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1yqa h SER 225 CO 0.01 0.85 0.21 0.00 -0.53 0.00 0.00 176.83 177.38 1yqa h ALA 226 N 1.23 0.46 -0.46 6.23 0.00 -0.53 -1.09 119.26 125.10 1yqa h ALA 226 Ca 0.29 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1yqa h ALA 226 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yqa h ALA 226 CO -0.04 -0.02 -0.20 0.82 0.00 0.00 0.00 179.25 179.81 1yqa h ILE 227 N 0.47 1.27 -0.99 0.00 2.04 -1.09 0.15 117.51 119.36 1yqa h ILE 227 Ca 0.13 -1.34 0.09 0.00 1.00 0.00 0.00 64.86 64.74 1yqa h ILE 227 Cb 0.03 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1yqa h ILE 227 CO -0.02 0.46 0.63 0.50 0.00 0.00 0.00 178.15 179.72 1yqa h LYS 228 N 0.81 1.04 -0.18 2.37 3.64 0.19 0.25 116.57 124.69 1yqa h LYS 228 Ca 0.11 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1yqa h LYS 228 Cb 0.75 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1yqa h LYS 228 CO 0.06 0.69 -0.73 0.87 -2.27 0.00 0.00 179.45 178.06 1yqa h LYS 229 N 1.07 0.82 -0.48 1.90 1.57 -0.81 -3.25 116.57 117.39 1yqa h LYS 229 Ca 0.46 -0.64 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1yqa h LYS 229 Cb 0.32 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1yqa h LYS 229 CO -0.22 1.25 0.27 0.00 -0.57 0.00 0.00 179.45 180.18 1yqa h VAL 231 N 0.54 1.24 0.06 0.00 -1.51 -0.37 0.54 116.25 116.74 1yqa h VAL 231 Ca 0.20 -0.88 -0.26 0.00 -1.23 0.00 0.00 66.70 64.53 1yqa h VAL 231 Cb 0.06 0.69 0.01 0.00 -2.13 0.00 0.00 31.29 29.91 1yqa h VAL 231 CO -0.11 0.32 -1.09 1.05 -1.23 0.00 0.00 177.57 176.52 1yqa h GLU 232 N 0.83 0.47 -0.02 5.19 4.11 -1.56 -3.24 114.58 120.37 1yqa h GLU 232 Ca 0.18 -0.58 -0.11 0.00 0.07 0.00 0.00 59.36 58.92 1yqa h GLU 232 Cb 0.34 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yqa h GLU 232 CO 0.00 1.22 -0.52 -0.91 0.07 0.00 0.00 179.01 178.87 1yqa h ASN 233 N 0.23 0.05 0.00 3.06 2.35 -0.68 -3.47 115.58 117.12 1yqa h ASN 233 Ca -0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1yqa h ASN 233 Cb 1.75 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.11 1yqa h ASN 233 CO 0.19 0.56 0.00 0.61 -1.65 0.00 0.00 177.43 177.15 1yqa n GLY 234 N -0.01 1.12 0.09 2.83 0.00 0.15 -4.99 105.19 104.38 1yqa n GLY 234 Ca -0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.04 -5.71 1.61 4.39 -0.77 -3.42 114.58 110.71 1yqa h GLU 235 Ca 0.00 -0.07 -0.52 0.00 0.34 0.00 0.00 59.36 59.12 1yqa h GLU 235 Cb 0.22 0.02 -0.25 0.00 -0.10 0.00 0.00 28.75 28.64 1yqa h GLU 235 CO 0.00 1.03 -0.82 -0.51 -1.16 0.00 0.00 179.01 177.55 1yqa s LEU 236 N -7.97 2.16 -0.13 1.33 1.43 -1.11 -1.72 118.68 112.67 1yqa s LEU 236 Ca -0.23 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1yqa s LEU 236 Cb 0.02 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1yqa s LEU 236 CO 0.66 0.10 -0.14 0.68 0.23 0.00 0.00 176.35 177.88 1yqa s VAL 237 N -0.80 2.94 -0.43 -1.59 -7.23 0.19 -2.70 120.40 110.79 1yqa s VAL 237 Ca 0.05 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1yqa s VAL 237 Cb -0.08 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 34.74 1yqa s VAL 237 CO 0.01 0.52 0.18 -1.10 -0.31 0.00 0.00 175.10 174.41 1yqa s GLN 238 N 0.44 1.87 0.24 4.82 -0.21 -1.26 -0.69 119.66 124.86 1yqa s GLN 238 Ca -0.10 -2.07 -0.06 0.00 0.02 0.00 0.00 55.36 53.14 1yqa s GLN 238 Cb -0.16 -3.41 0.28 0.00 1.00 0.00 0.00 33.01 30.72 1yqa s GLN 238 CO 0.05 -1.04 1.88 -1.00 -2.12 0.00 0.00 175.29 173.06 1yqa h PRO 239 N 7.49 1.09 0.00 2.91 0.13 -1.95 -3.31 132.00 138.36 1yqa h PRO 239 Ca -0.07 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1yqa h PRO 239 Cb 1.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1yqa h PRO 239 CO 0.63 0.72 -0.00 0.87 -0.23 0.00 0.00 178.00 179.99 1yqa h LYS 240 N 1.12 0.00 0.00 0.86 6.56 -1.93 -3.52 116.57 119.67 1yqa h LYS 240 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1yqa h LYS 240 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1yqa h LYS 240 CO -0.12 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.68 1yqa n GLY 241 N 1.97 -0.55 0.17 3.86 0.00 -1.25 -4.99 105.19 104.41 1yqa n GLY 241 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 0.13 -2.33 1.61 0.11 -1.99 -1.93 132.00 127.60 1yqa h PRO 242 Ca 0.00 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.50 1yqa h PRO 242 Cb 0.00 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 30.94 1yqa h PRO 242 CO 0.00 0.09 1.44 0.45 -0.21 0.00 0.00 178.00 179.77 1yqa n SER 243 N -5.16 7.24 -3.73 -2.05 2.88 -1.26 -4.87 113.62 106.67 1yqa n SER 243 Ca 0.03 -3.11 -0.10 0.00 -1.33 0.00 0.00 58.87 54.35 1yqa n SER 243 Cb 0.20 -1.32 -0.05 0.00 -0.75 0.00 0.00 64.21 62.29 1yqa n SER 243 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1yqa s GLY 244 N 0.52 -0.07 0.09 0.46 0.00 -0.73 -4.97 107.32 102.62 1yqa s GLY 244 Ca 0.58 -0.28 -0.33 0.00 0.00 0.00 0.00 44.72 44.69 1yqa s GLY 244 CO -0.15 -0.41 1.76 4.51 0.00 0.00 0.00 173.10 178.81 1yqa n ILE 245 N -0.25 0.28 -3.05 0.90 3.06 -1.26 -3.95 119.36 115.09 1yqa n ILE 245 Ca -0.13 -0.05 -0.40 0.00 -2.50 0.00 0.00 62.75 59.67 1yqa n ILE 245 Cb 0.63 -1.85 -0.05 0.00 0.54 0.00 0.00 39.64 38.90 1yqa n ILE 245 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1yqa s ILE 246 N 2.39 4.98 -0.08 9.51 1.09 0.20 -4.20 121.20 135.08 1yqa s ILE 246 Ca 0.83 1.30 0.01 0.00 -1.10 0.00 0.00 60.65 61.70 1yqa s ILE 246 Cb -0.60 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 36.78 1yqa s ILE 246 CO 0.41 0.08 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.68 1yqa s LYS 247 N 2.06 2.87 -0.29 2.79 1.02 0.13 0.55 119.74 128.87 1yqa s LYS 247 Ca 0.31 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1yqa s LYS 247 Cb -0.16 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1yqa s LYS 247 CO 0.10 0.52 1.52 -1.17 -0.92 0.00 0.00 175.35 175.41 1yqa s LEU 248 N -0.45 3.79 -0.01 3.17 0.20 -1.26 0.57 118.68 124.69 1yqa s LEU 248 Ca 0.06 1.34 -0.30 0.00 0.69 0.00 0.00 54.13 55.92 1yqa s LEU 248 Cb -0.12 -3.53 -0.07 0.00 -0.43 0.00 0.00 46.19 42.03 1yqa s LEU 248 CO 0.02 -1.30 1.87 0.21 -0.29 0.00 0.00 176.35 176.87 1yqa s ASN 249 N 4.03 6.47 -1.26 3.68 2.47 -0.70 -4.83 114.94 124.80 1yqa s ASN 249 Ca 0.67 2.47 -0.08 0.00 0.42 0.00 0.00 52.86 56.33 1yqa s ASN 249 Cb -0.21 -2.53 -0.11 0.00 -1.45 0.00 0.00 41.25 36.96 1yqa s ASN 249 CO 0.29 -1.06 2.86 0.29 -3.72 0.00 0.00 177.10 175.75 1yqa n LYS 250 N 7.48 3.12 -1.20 0.43 4.76 -1.26 -4.77 118.16 126.72 1yqa n LYS 250 Ca 0.19 -1.87 -0.35 0.00 -2.87 0.00 0.00 58.31 53.42 1yqa n LYS 250 Cb 0.42 -2.61 -0.02 0.00 -1.84 0.00 0.00 35.03 30.98 1yqa n LYS 250 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1yqa n LYS 251 N 3.55 3.11 -2.61 1.97 2.85 -1.26 -4.25 118.16 121.51 1yqa n LYS 251 Ca 0.67 -2.03 -0.08 0.00 -1.05 0.00 0.00 58.31 55.81 1yqa n LYS 251 Cb 0.30 -2.77 0.04 0.00 -0.65 0.00 0.00 35.03 31.96 1yqa n LYS 251 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1yqa n LYS 252 N 4.15 -2.49 -2.89 -1.58 3.00 -1.26 -4.99 118.16 112.10 1yqa n LYS 252 Ca 0.66 0.45 -0.41 0.00 -0.00 0.00 0.00 58.31 59.01 1yqa n LYS 252 Cb 0.23 -4.05 -0.04 0.00 0.00 0.00 0.00 35.03 31.17 1yqa n LYS 252 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1yqa s VAL 253 N -3.20 4.89 0.18 3.15 1.01 -1.26 -5.03 120.40 120.15 1yqa s VAL 253 Ca 0.10 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1yqa s VAL 253 Cb -0.01 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1yqa s VAL 253 CO 0.38 0.06 1.02 -0.75 0.00 0.00 0.00 175.10 175.81 1yqa s LYS 254 N 1.93 4.69 -0.48 2.72 2.20 -1.26 -4.92 119.74 124.62 1yqa s LYS 254 Ca 0.39 1.59 -0.06 0.00 -0.36 0.00 0.00 55.97 57.53 1yqa s LYS 254 Cb -0.17 -3.30 -0.18 0.00 -1.51 0.00 0.00 37.83 32.67 1yqa s LYS 254 CO 0.14 0.24 3.08 1.28 -0.36 0.00 0.00 175.35 179.73 1yqa n LEU 255 N 2.16 5.66 -4.75 5.43 4.32 -1.26 -4.93 117.00 123.64 1yqa n LEU 255 Ca 0.01 -3.23 -0.41 0.00 -0.02 0.00 0.00 56.01 52.36 1yqa n LEU 255 Cb 0.47 -1.31 -0.02 0.00 -1.62 0.00 0.00 43.42 40.94 1yqa n LEU 255 CO 0.52 1.52 1.13 -0.44 -1.22 0.00 0.00 177.39 178.90 1yqa s SER 256 N 2.25 6.58 0.00 -1.43 0.01 -1.26 -5.32 113.70 114.53 1yqa s SER 256 Ca 0.60 2.75 0.10 0.00 1.31 0.00 0.00 55.95 60.71 1yqa s SER 256 Cb 0.24 -2.63 0.62 0.00 0.21 0.00 0.00 66.02 64.46 1yqa s SER 256 CO -0.02 -0.75 1.06 0.35 0.41 0.00 0.00 173.24 174.29