#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 -1.37 -0.02 3.14 0.00 -1.26 -5.05 121.76 117.20 1yqa s ALA 172 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1yqa s ALA 172 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1yqa s ALA 172 CO 0.00 -0.28 -0.01 -1.12 0.00 0.00 0.00 175.76 174.34 1yqa s SER 173 N 0.81 5.04 -0.07 0.00 0.01 -1.26 -5.12 113.70 113.11 1yqa s SER 173 Ca -0.04 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1yqa s SER 173 Cb -0.05 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 1yqa s SER 173 CO -0.06 0.30 -0.20 -0.94 0.41 0.00 0.00 173.24 172.75 1yqa s SER 174 N -1.36 3.49 0.00 2.44 1.04 -1.26 -4.91 113.70 113.13 1yqa s SER 174 Ca 0.18 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1yqa s SER 174 Cb -0.11 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.05 1yqa s SER 174 CO 0.08 0.26 1.00 -0.81 0.98 0.00 0.00 173.24 174.75 1yqa n PRO 175 N 2.86 0.75 0.00 4.02 -0.04 -1.26 -4.86 135.00 136.47 1yqa n PRO 175 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1yqa n PRO 175 Cb 0.52 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1yqa n PRO 175 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yqa n SER 176 N 0.96 0.00 -3.61 3.54 2.88 -1.26 -4.62 113.62 111.52 1yqa n SER 176 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1yqa n SER 176 Cb 0.37 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.77 1yqa n SER 176 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1yqa s SER 177 N 0.00 -0.62 0.39 -3.46 0.15 -1.26 -4.82 113.70 104.07 1yqa s SER 177 Ca 0.00 1.08 -0.12 0.00 0.70 0.00 0.00 55.95 57.61 1yqa s SER 177 Cb 0.00 1.06 0.05 0.00 -1.71 0.00 0.00 66.02 65.42 1yqa s SER 177 CO 0.00 -0.29 0.73 0.18 1.20 0.00 0.00 173.24 175.06 1yqa n LEU 178 N 2.09 0.00 -4.78 3.45 4.77 -1.26 -5.06 117.00 116.21 1yqa n LEU 178 Ca -0.14 -2.63 -0.35 0.00 -0.03 0.00 0.00 56.01 52.86 1yqa n LEU 178 Cb 0.56 3.58 -0.01 0.00 -2.33 0.00 0.00 43.42 45.22 1yqa n LEU 178 CO 0.08 -0.82 0.78 -0.89 -1.33 0.00 0.00 177.39 175.20 1yqa s THR 179 N -2.24 3.28 0.30 -5.08 2.01 -1.26 -4.71 115.64 107.95 1yqa s THR 179 Ca 0.18 0.83 0.06 0.00 0.31 0.00 0.00 61.69 63.07 1yqa s THR 179 Cb -0.04 -3.35 0.30 0.00 0.01 0.00 0.00 72.50 69.41 1yqa s THR 179 CO 0.14 -0.14 1.74 1.88 -0.69 0.00 0.00 174.62 177.55 1yqa h TYR 180 N 1.44 0.94 -0.33 4.92 -1.99 -1.99 0.49 116.97 120.45 1yqa h TYR 180 Ca -0.50 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.24 1yqa h TYR 180 Cb 1.25 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1yqa h TYR 180 CO 0.53 0.12 0.10 -0.22 -0.00 0.00 0.00 178.16 178.68 1yqa h LYS 181 N 0.62 0.52 -0.25 4.88 3.64 -1.90 -2.82 116.57 121.25 1yqa h LYS 181 Ca 0.59 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 1yqa h LYS 181 Cb 1.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1yqa h LYS 181 CO -0.44 0.55 -0.17 0.93 -2.27 0.00 0.00 179.45 178.05 1yqa h GLU 182 N 0.38 0.43 -0.18 1.90 5.08 -1.11 -2.87 114.58 118.22 1yqa h GLU 182 Ca 0.11 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1yqa h GLU 182 Cb 0.25 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1yqa h GLU 182 CO -0.00 0.59 -0.23 0.52 -1.00 0.00 0.00 179.01 178.89 1yqa h MET 183 N 0.40 -0.26 -0.37 2.33 2.86 0.08 -1.24 114.93 118.73 1yqa h MET 183 Ca 0.07 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1yqa h MET 183 Cb 0.53 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1yqa h MET 183 CO 0.03 -0.17 -0.01 0.82 1.06 0.00 0.00 176.91 178.64 1yqa h ILE 184 N -0.27 1.26 -1.00 -1.22 2.04 -1.49 -0.71 117.51 116.12 1yqa h ILE 184 Ca 0.12 -1.01 0.11 0.00 1.00 0.00 0.00 64.86 65.08 1yqa h ILE 184 Cb 0.45 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1yqa h ILE 184 CO -0.34 0.34 0.63 -0.07 0.00 0.00 0.00 178.15 178.71 1yqa h LEU 185 N 0.48 0.93 0.00 1.44 3.38 -1.22 0.47 115.31 120.79 1yqa h LEU 185 Ca 0.10 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 1yqa h LEU 185 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1yqa h LEU 185 CO 0.02 0.51 -1.00 0.50 0.09 0.00 0.00 178.44 178.56 1yqa h LYS 186 N 1.01 0.00 -0.08 1.13 1.63 -1.17 -3.30 116.57 115.79 1yqa h LYS 186 Ca 0.48 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.14 1yqa h LYS 186 Cb 0.44 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1yqa h LYS 186 CO -0.25 0.83 -0.58 1.03 -3.45 0.00 0.00 179.45 177.03 1yqa h SER 187 N 0.00 0.27 -0.09 4.20 0.87 0.54 -3.35 113.55 115.99 1yqa h SER 187 Ca -0.04 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1yqa h SER 187 Cb 1.72 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.55 1yqa h SER 187 CO 0.11 0.79 -0.28 0.24 -0.53 0.00 0.00 176.83 177.16 1yqa h MET 188 N 0.18 -0.36 -0.06 2.24 2.86 -0.24 -1.29 114.93 118.27 1yqa h MET 188 Ca -0.00 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1yqa h MET 188 Cb 1.07 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1yqa h MET 188 CO 0.09 -0.24 0.06 -1.00 1.06 0.00 0.00 176.91 176.88 1yqa h PRO 189 N -0.37 0.00 -0.01 -0.22 0.13 -1.77 -2.13 132.00 127.62 1yqa h PRO 189 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1yqa h PRO 189 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1yqa h PRO 189 CO -0.30 0.00 -0.07 1.96 -0.23 0.00 0.00 178.00 179.36 1yqa h GLN 190 N 0.00 0.07 -6.33 0.86 1.08 -1.48 -3.26 115.11 106.05 1yqa h GLN 190 Ca 0.03 -0.06 -0.54 0.00 -1.45 0.00 0.00 58.65 56.63 1yqa h GLN 190 Cb 0.15 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1yqa h GLN 190 CO -0.00 0.72 0.23 -0.51 -0.95 0.00 0.00 178.83 178.32 1yqa s LEU 191 N -8.84 4.42 -1.31 1.46 1.43 -0.58 -4.12 118.68 111.14 1yqa s LEU 191 Ca -0.16 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.40 1yqa s LEU 191 Cb 0.01 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1yqa s LEU 191 CO 0.70 -0.07 0.35 0.59 0.23 0.00 0.00 176.35 178.14 1yqa n ASN 192 N 3.17 -4.48 -2.69 2.29 4.13 -1.26 -1.03 115.26 115.38 1yqa n ASN 192 Ca 0.00 -0.17 -0.17 0.00 1.68 0.00 0.00 54.58 55.92 1yqa n ASN 192 Cb 0.50 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 1yqa n ASN 192 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1yqa n ASP 193 N -2.19 -4.58 -1.78 6.41 8.00 -1.26 -1.39 116.55 119.77 1yqa n ASP 193 Ca -0.09 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 1yqa n ASP 193 Cb 0.59 -3.82 -0.01 0.00 -0.02 0.00 0.00 41.12 37.86 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 -1.02 -0.21 0.13 0.44 0.00 -0.20 -4.91 105.19 99.42 1yqa n GLY 194 Ca -0.14 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1yqa n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yqa n LYS 195 N -2.51 0.68 0.00 1.61 5.02 -0.49 -4.55 118.16 117.92 1yqa n LYS 195 Ca -0.19 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1yqa n LYS 195 Cb 0.64 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1yqa n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yqa n GLY 196 N 1.96 3.62 3.19 0.72 0.00 -1.26 -4.23 105.19 109.19 1yqa n GLY 196 Ca -0.39 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 2.16 0.50 1.61 0.01 -0.17 -4.81 113.70 113.00 1yqa s SER 197 Ca 0.00 -0.38 -0.22 0.00 1.31 0.00 0.00 55.95 56.66 1yqa s SER 197 Cb 0.00 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 1yqa s SER 197 CO 0.00 0.19 1.20 -0.94 0.41 0.00 0.00 173.24 174.10 1yqa s SER 198 N -0.64 5.88 0.32 2.44 1.04 -1.26 -0.01 113.70 121.46 1yqa s SER 198 Ca 0.07 2.38 0.08 0.00 0.48 0.00 0.00 55.95 58.95 1yqa s SER 198 Cb -0.07 -2.61 0.80 0.00 0.10 0.00 0.00 66.02 64.24 1yqa s SER 198 CO -0.00 -1.12 1.78 -0.09 0.98 0.00 0.00 173.24 174.79 1yqa h ARG 199 N 1.75 0.68 -0.42 4.02 2.43 -1.69 0.11 114.38 121.27 1yqa h ARG 199 Ca -0.50 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 1yqa h ARG 199 Cb 1.26 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1yqa h ARG 199 CO 0.59 0.45 0.06 0.82 -1.51 0.00 0.00 179.97 180.37 1yqa h ILE 200 N 0.70 1.25 -0.28 1.20 2.04 -1.91 0.30 117.51 120.80 1yqa h ILE 200 Ca 0.57 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1yqa h ILE 200 Cb 0.98 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1yqa h ILE 200 CO -0.36 0.31 0.15 0.58 0.00 0.00 0.00 178.15 178.83 1yqa h VAL 201 N 0.55 1.13 -0.27 1.67 2.07 -1.50 -0.29 116.25 119.60 1yqa h VAL 201 Ca 0.13 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1yqa h VAL 201 Cb 0.39 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1yqa h VAL 201 CO 0.01 0.13 0.03 0.25 0.02 0.00 0.00 177.57 178.01 1yqa h LEU 202 N 0.34 0.44 -0.56 2.57 5.85 -0.69 -1.95 115.31 121.30 1yqa h LEU 202 Ca 0.10 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1yqa h LEU 202 Cb 0.07 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1yqa h LEU 202 CO -0.02 0.60 0.31 0.50 -0.34 0.00 0.00 178.44 179.50 1yqa h LYS 203 N 0.27 0.58 -0.65 1.25 3.64 -0.30 0.25 116.57 121.61 1yqa h LYS 203 Ca 0.08 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1yqa h LYS 203 Cb 0.36 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1yqa h LYS 203 CO 0.01 0.39 0.31 -0.22 -2.27 0.00 0.00 179.45 177.66 1yqa h LYS 204 N 0.60 0.53 -0.06 1.90 3.64 -0.84 0.97 116.57 123.30 1yqa h LYS 204 Ca 0.24 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1yqa h LYS 204 Cb 0.11 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1yqa h LYS 204 CO -0.14 0.35 -0.22 -0.92 -2.27 0.00 0.00 179.45 176.24 1yqa h TYR 205 N 0.54 0.35 -0.62 1.91 3.20 -0.52 -2.46 116.97 119.37 1yqa h TYR 205 Ca 0.32 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1yqa h TYR 205 Cb 0.32 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1yqa h TYR 205 CO -0.12 0.84 0.36 0.28 -1.64 0.00 0.00 178.16 177.89 1yqa h VAL 206 N -0.24 1.03 -0.65 1.81 2.07 -0.24 -0.15 116.25 119.87 1yqa h VAL 206 Ca -0.01 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1yqa h VAL 206 Cb 0.86 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1yqa h VAL 206 CO 0.05 0.13 0.21 0.11 0.02 0.00 0.00 177.57 178.08 1yqa h LYS 207 N 0.70 1.00 0.03 1.57 1.57 -0.84 0.25 116.57 120.86 1yqa h LYS 207 Ca 0.26 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1yqa h LYS 207 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1yqa h LYS 207 CO -0.13 0.87 -0.02 0.22 -0.57 0.00 0.00 179.45 179.82 1yqa h ASP 208 N 0.93 -0.04 -0.15 0.86 3.58 -0.94 -3.34 116.42 117.33 1yqa h ASP 208 Ca 0.21 -0.42 -0.12 0.00 0.42 0.00 0.00 57.03 57.11 1yqa h ASP 208 Cb 0.28 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1yqa h ASP 208 CO -0.01 0.41 -0.39 0.71 -2.88 0.00 0.00 179.24 177.08 1yqa h THR 209 N -0.49 1.36 -3.32 2.25 1.35 -1.04 -3.40 112.91 109.61 1yqa h THR 209 Ca -0.00 -1.67 -0.73 0.00 -0.55 0.00 0.00 66.41 63.45 1yqa h THR 209 Cb 0.46 2.03 -0.27 0.00 -1.73 0.00 0.00 68.15 68.64 1yqa h THR 209 CO 0.01 0.51 -0.39 -0.31 -0.25 0.00 0.00 175.52 175.09 1yqa s TYR 210 N -3.90 3.35 -0.37 4.73 2.02 0.07 -4.93 117.35 118.32 1yqa s TYR 210 Ca -0.13 -1.55 0.22 0.00 -0.37 0.00 0.00 57.07 55.23 1yqa s TYR 210 Cb 0.06 -3.31 1.03 0.00 -0.40 0.00 0.00 41.96 39.35 1yqa s TYR 210 CO 0.81 -0.92 1.66 -2.30 -1.57 0.00 0.00 175.55 173.23 1yqa n PRO 211 N 5.00 0.16 -0.10 -1.71 -0.02 -1.26 -2.18 135.00 134.88 1yqa n PRO 211 Ca -0.10 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1yqa n PRO 211 Cb 0.42 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1yqa n PRO 211 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yqa h ILE 212 N 0.00 1.19 0.01 4.25 2.04 -1.91 -0.40 117.51 122.68 1yqa h ILE 212 Ca 0.00 -0.61 -0.19 0.00 1.00 0.00 0.00 64.86 65.06 1yqa h ILE 212 Cb 0.17 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1yqa h ILE 212 CO 0.00 0.21 -0.88 -0.37 0.00 0.00 0.00 178.15 177.11 1yqa h VAL 213 N 0.35 1.59 -0.72 1.67 -1.51 -1.75 -2.36 116.25 113.51 1yqa h VAL 213 Ca 0.10 -2.90 -0.06 0.00 -1.23 0.00 0.00 66.70 62.61 1yqa h VAL 213 Cb 0.22 2.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 1yqa h VAL 213 CO -0.01 0.83 0.21 1.23 -1.23 0.00 0.00 177.57 178.61 1yqa h GLY 214 N 2.39 1.22 1.70 5.19 0.00 -1.27 -2.76 103.07 109.54 1yqa h GLY 214 Ca -0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 47.33 46.39 1yqa h GLY 214 CO 0.12 0.69 -0.76 1.76 0.00 0.00 0.00 176.54 178.35 1yqa h SER 215 N 1.08 0.35 -2.59 0.19 0.02 -1.07 -3.45 113.55 108.08 1yqa h SER 215 Ca 0.23 -0.25 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1yqa h SER 215 Cb 0.33 -0.11 0.04 0.00 0.14 0.00 0.00 62.40 62.80 1yqa h SER 215 CO -0.00 0.99 1.07 0.00 -1.14 0.00 0.00 176.83 177.74 1yqa s ALA 216 N -3.49 3.78 -0.02 3.77 0.00 -0.89 -4.92 121.76 119.98 1yqa s ALA 216 Ca -0.04 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 1yqa s ALA 216 Cb 0.11 -3.74 -0.24 0.00 0.00 0.00 0.00 23.12 19.25 1yqa s ALA 216 CO 0.83 -1.15 1.06 0.66 0.00 0.00 0.00 175.76 177.16 1yqa h SER 217 N 8.24 0.39 -0.63 0.00 4.64 -1.87 -3.26 113.55 121.06 1yqa h SER 217 Ca -0.45 -0.77 -0.43 0.00 -0.47 0.00 0.00 61.79 59.67 1yqa h SER 217 Cb 1.21 -0.12 -0.18 0.00 -0.31 0.00 0.00 62.40 63.00 1yqa h SER 217 CO 0.94 1.11 0.55 -3.20 -0.87 0.00 0.00 176.83 175.37 1yqa n ASN 218 N -4.35 6.72 -0.02 4.97 5.15 -1.26 -4.55 115.26 121.92 1yqa n ASN 218 Ca -0.10 -3.27 -0.12 0.00 -0.60 0.00 0.00 54.58 50.49 1yqa n ASN 218 Cb 0.60 -1.02 -0.07 0.00 -0.53 0.00 0.00 39.78 38.76 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 1.59 0.15 -0.87 1.20 3.57 -1.85 -3.16 116.94 117.57 1yqa h PHE 219 Ca 0.39 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.04 1yqa h PHE 219 Cb 0.93 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.52 1yqa h PHE 219 CO 1.00 0.35 0.42 0.22 -2.23 0.00 0.00 178.31 178.07 1yqa h ASP 220 N -0.09 0.46 -0.17 0.41 3.58 -1.88 0.68 116.42 119.40 1yqa h ASP 220 Ca 0.03 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1yqa h ASP 220 Cb 0.28 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1yqa h ASP 220 CO 0.00 0.14 0.07 0.22 -2.88 0.00 0.00 179.24 176.79 1yqa h TYR 221 N 0.54 0.27 -0.81 0.28 3.20 -1.93 -0.03 116.97 118.49 1yqa h TYR 221 Ca 0.50 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 1yqa h TYR 221 Cb 0.82 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 1yqa h TYR 221 CO -0.11 0.33 0.37 -0.07 -1.64 0.00 0.00 178.16 177.05 1yqa h LEU 222 N 0.13 1.07 0.04 2.82 3.38 -0.97 0.24 115.31 122.02 1yqa h LEU 222 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yqa h LEU 222 Cb 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1yqa h LEU 222 CO -0.00 0.91 -0.16 0.15 0.09 0.00 0.00 178.44 179.43 1yqa h PHE 223 N 1.15 -0.41 -0.09 1.13 3.57 0.51 -0.43 116.94 122.36 1yqa h PHE 223 Ca 0.28 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1yqa h PHE 223 Cb 0.14 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1yqa h PHE 223 CO 0.01 -0.24 -0.24 -0.97 -2.23 0.00 0.00 178.31 174.64 1yqa h ASN 224 N -0.29 0.15 -0.65 0.41 -1.24 -0.64 -2.66 115.58 110.66 1yqa h ASN 224 Ca 0.04 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1yqa h ASN 224 Cb 0.33 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1yqa h ASN 224 CO -0.12 0.40 0.07 0.28 -1.29 0.00 0.00 177.43 176.77 1yqa h SER 225 N 0.14 1.07 -0.41 1.15 0.02 0.30 0.43 113.55 116.25 1yqa h SER 225 Ca 0.02 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1yqa h SER 225 Cb 0.52 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1yqa h SER 225 CO 0.04 1.08 0.24 0.00 -1.14 0.00 0.00 176.83 177.05 1yqa h ALA 226 N 1.04 0.53 -0.54 3.77 0.00 -0.77 -1.35 119.26 121.94 1yqa h ALA 226 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1yqa h ALA 226 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yqa h ALA 226 CO 0.02 0.03 -0.04 0.82 0.00 0.00 0.00 179.25 180.08 1yqa h ILE 227 N 0.54 1.26 -0.41 0.00 2.04 -1.23 -0.14 117.51 119.57 1yqa h ILE 227 Ca 0.15 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1yqa h ILE 227 Cb 0.02 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1yqa h ILE 227 CO -0.03 0.41 0.28 0.50 0.00 0.00 0.00 178.15 179.31 1yqa h LYS 228 N 0.86 0.28 -0.00 2.37 3.64 0.38 0.42 116.57 124.52 1yqa h LYS 228 Ca 0.15 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1yqa h LYS 228 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1yqa h LYS 228 CO 0.03 0.19 -0.23 0.87 -2.27 0.00 0.00 179.45 178.04 1yqa h LYS 229 N 0.29 0.16 -0.80 1.90 1.57 -0.62 -3.28 116.57 115.79 1yqa h LYS 229 Ca 0.18 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1yqa h LYS 229 Cb 0.34 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1yqa h LYS 229 CO -0.04 0.91 0.46 0.00 -0.57 0.00 0.00 179.45 180.20 1yqa h VAL 231 N 0.78 1.25 -0.01 0.00 -1.51 -0.13 0.49 116.25 117.11 1yqa h VAL 231 Ca 0.38 -0.82 -0.23 0.00 -1.23 0.00 0.00 66.70 64.79 1yqa h VAL 231 Cb 0.33 0.43 0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1yqa h VAL 231 CO -0.24 0.33 -0.95 1.05 -1.23 0.00 0.00 177.57 176.54 1yqa h GLU 232 N 1.05 0.51 0.00 5.19 4.11 -1.53 -3.04 114.58 120.87 1yqa h GLU 232 Ca 0.24 -0.53 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1yqa h GLU 232 Cb 0.24 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yqa h GLU 232 CO -0.02 1.17 0.00 0.09 0.07 0.00 0.00 179.01 180.32 1yqa n ASN 233 N -3.79 0.00 -1.37 3.06 3.02 0.50 -4.89 115.26 111.79 1yqa n ASN 233 Ca -0.08 0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 54.76 1yqa n ASN 233 Cb 0.83 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1yqa n ASN 233 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yqa n GLY 234 N 0.64 0.05 0.11 7.41 0.00 0.63 -4.72 105.19 109.32 1yqa n GLY 234 Ca 0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1yqa n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yqa n GLU 235 N -2.15 0.56 -5.09 1.61 1.02 0.14 -4.38 120.64 112.35 1yqa n GLU 235 Ca -0.08 0.44 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1yqa n GLU 235 Cb 0.57 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 30.21 1yqa n GLU 235 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yqa s LEU 236 N -7.76 2.38 -0.18 -4.62 1.43 -1.08 -1.42 118.68 107.42 1yqa s LEU 236 Ca -0.32 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1yqa s LEU 236 Cb 0.09 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1yqa s LEU 236 CO 0.52 0.30 -0.02 0.68 0.23 0.00 0.00 176.35 178.06 1yqa s VAL 237 N -0.48 3.84 -0.35 -1.59 -7.23 0.73 -2.97 120.40 112.35 1yqa s VAL 237 Ca 0.06 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1yqa s VAL 237 Cb -0.12 -2.71 0.10 0.00 0.56 0.00 0.00 36.38 34.21 1yqa s VAL 237 CO 0.01 0.46 0.07 -1.10 -0.31 0.00 0.00 175.10 174.23 1yqa s GLN 238 N 0.76 1.54 0.11 4.82 -0.21 -1.26 -1.87 119.66 123.56 1yqa s GLN 238 Ca -0.01 -1.89 -0.22 0.00 0.02 0.00 0.00 55.36 53.26 1yqa s GLN 238 Cb -0.14 -3.25 -0.07 0.00 1.00 0.00 0.00 33.01 30.55 1yqa s GLN 238 CO 0.02 -0.96 1.71 -1.00 -2.12 0.00 0.00 175.29 172.94 1yqa h PRO 239 N 7.62 -0.05 0.09 2.91 0.13 -1.98 -3.30 132.00 137.42 1yqa h PRO 239 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1yqa h PRO 239 Cb 1.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1yqa h PRO 239 CO 0.54 -0.04 -0.04 0.87 -0.23 0.00 0.00 178.00 179.10 1yqa h LYS 240 N -0.06 -0.12 0.00 0.86 1.57 -1.90 -3.51 116.57 113.42 1yqa h LYS 240 Ca 0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1yqa h LYS 240 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1yqa h LYS 240 CO -0.13 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 1yqa n GLY 241 N 1.29 -0.56 0.21 3.86 0.00 -1.24 -4.98 105.19 103.77 1yqa n GLY 241 Ca -0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 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 0.46 -5.43 1.61 0.11 -1.98 -3.38 132.00 123.38 1yqa h PRO 242 Ca 0.00 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.47 1yqa h PRO 242 Cb 0.00 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 30.89 1yqa h PRO 242 CO 0.00 0.30 -0.02 0.45 -0.21 0.00 0.00 178.00 178.52 1yqa s SER 243 N -5.47 6.49 0.00 -2.05 0.15 -1.26 -4.89 113.70 106.67 1yqa s SER 243 Ca -0.13 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1yqa s SER 243 Cb 0.14 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1yqa s SER 243 CO 0.74 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1yqa n GLY 244 N 4.18 -0.17 3.58 9.45 0.00 -1.26 -4.83 105.19 116.14 1yqa n GLY 244 Ca -0.04 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.00 4.09 -0.44 -0.61 2.07 -1.26 -1.68 121.20 119.37 1yqa s ILE 245 Ca 0.00 -0.31 -0.16 0.00 -1.41 0.00 0.00 60.65 58.77 1yqa s ILE 245 Cb 0.00 -2.76 0.04 0.00 0.13 0.00 0.00 42.46 39.87 1yqa s ILE 245 CO 0.00 0.54 0.39 -0.63 -1.91 0.00 0.00 174.94 173.34 1yqa s ILE 246 N -0.22 5.17 -0.16 2.00 1.09 0.98 -4.46 121.20 125.60 1yqa s ILE 246 Ca 0.05 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 1yqa s ILE 246 Cb -0.13 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.18 1yqa s ILE 246 CO 0.02 -0.46 0.12 -0.54 -0.10 0.00 0.00 174.94 173.98 1yqa s LYS 247 N 1.88 3.77 -0.29 2.79 1.02 -0.78 -1.00 119.74 127.13 1yqa s LYS 247 Ca 0.08 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1yqa s LYS 247 Cb -0.20 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1yqa s LYS 247 CO 0.10 0.54 1.51 -1.17 -0.92 0.00 0.00 175.35 175.40 1yqa s LEU 248 N -0.34 3.79 -0.17 3.17 2.96 -1.26 -0.19 118.68 126.64 1yqa s LEU 248 Ca 0.11 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1yqa s LEU 248 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1yqa s LEU 248 CO 0.01 -1.28 1.70 0.21 -1.32 0.00 0.00 176.35 175.67 1yqa s ASN 249 N 3.95 6.36 -0.97 3.68 2.47 -0.51 -4.87 114.94 125.05 1yqa s ASN 249 Ca 0.66 1.83 -0.20 0.00 0.42 0.00 0.00 52.86 55.58 1yqa s ASN 249 Cb -0.20 -2.53 0.11 0.00 -1.45 0.00 0.00 41.25 37.18 1yqa s ASN 249 CO 0.28 -1.24 1.23 -0.54 -3.72 0.00 0.00 177.10 173.11 1yqa s LYS 250 N 4.68 3.62 0.00 0.43 1.02 -1.26 -3.89 119.74 124.34 1yqa s LYS 250 Ca 0.75 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1yqa s LYS 250 Cb -0.28 -5.05 0.00 0.00 -0.52 0.00 0.00 37.83 31.98 1yqa s LYS 250 CO 0.31 -1.90 0.00 1.17 -0.92 0.00 0.00 175.35 174.01 1yqa n LYS 251 N 7.17 0.00 -3.32 1.68 3.00 -1.26 -5.06 118.16 120.38 1yqa n LYS 251 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.42 1yqa n LYS 251 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.60 1yqa n LYS 251 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1yqa n LYS 252 N -1.33 -3.15 -2.41 1.64 3.00 -1.25 -4.97 118.16 109.69 1yqa n LYS 252 Ca 0.00 0.84 -0.38 0.00 -0.00 0.00 0.00 58.31 58.77 1yqa n LYS 252 Cb 0.00 -5.75 -0.03 0.00 0.00 0.00 0.00 35.03 29.24 1yqa n LYS 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1yqa s VAL 253 N -3.39 3.39 -0.42 3.15 -7.23 -1.26 -4.16 120.40 110.48 1yqa s VAL 253 Ca 0.36 1.21 -0.08 0.00 -1.81 0.00 0.00 61.98 61.65 1yqa s VAL 253 Cb -0.05 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1yqa s VAL 253 CO 0.75 0.15 0.49 1.17 -0.31 0.00 0.00 175.10 177.35 1yqa n LYS 254 N 0.38 -1.56 -1.75 4.82 4.81 -1.26 -4.82 118.16 118.78 1yqa n LYS 254 Ca 0.03 1.59 -0.42 0.00 -0.87 0.00 0.00 58.31 58.64 1yqa n LYS 254 Cb 0.47 -4.78 -0.01 0.00 0.02 0.00 0.00 35.03 30.73 1yqa n LYS 254 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yqa n LEU 255 N -0.79 4.44 0.00 3.14 4.77 -1.26 -4.85 117.00 122.44 1yqa n LEU 255 Ca 0.06 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1yqa n LEU 255 Cb 0.41 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1yqa n LEU 255 CO 0.39 0.11 0.00 -1.54 -1.33 0.00 0.00 177.39 175.01 1yqa n SER 256 N 1.49 0.00 0.00 -1.43 3.41 -1.26 -5.26 113.62 110.57 1yqa n SER 256 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1yqa n SER 256 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1yqa n SER 256 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29