#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 3.12 0.00 0.58 0.00 -1.26 -5.07 121.76 119.13 1yqa s ALA 172 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1yqa s ALA 172 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1yqa s ALA 172 CO 0.00 0.26 0.00 0.45 0.00 0.00 0.00 175.76 176.47 1yqa n SER 173 N 3.35 0.00 -4.72 0.00 2.88 -1.26 -5.00 113.62 108.87 1yqa n SER 173 Ca -0.17 -0.68 -0.42 0.00 -1.33 0.00 0.00 58.87 56.27 1yqa n SER 173 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1yqa n SER 173 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1yqa s SER 174 N -0.05 7.39 0.00 -3.46 0.01 -1.26 -4.98 113.70 111.35 1yqa s SER 174 Ca 0.00 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1yqa s SER 174 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1yqa s SER 174 CO 0.00 -0.19 0.00 -2.65 0.41 0.00 0.00 173.24 170.81 1yqa n PRO 175 N 3.31 2.67 -0.06 12.44 -0.02 -1.26 -4.84 135.00 147.24 1yqa n PRO 175 Ca 0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1yqa n PRO 175 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 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 2.86 -3.91 2.55 7.64 -1.26 -4.26 113.62 117.24 1yqa n SER 176 Ca 0.00 -0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.62 1yqa n SER 176 Cb 0.00 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 62.99 1yqa n SER 176 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yqa s SER 177 N -5.13 0.95 0.24 6.43 0.15 -1.26 -4.48 113.70 110.61 1yqa s SER 177 Ca -0.16 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.13 1yqa s SER 177 Cb 0.04 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1yqa s SER 177 CO 0.33 -0.03 0.77 -0.76 1.20 0.00 0.00 173.24 174.75 1yqa s LEU 178 N 0.75 -0.25 0.41 3.45 1.43 -1.26 -5.09 118.68 118.13 1yqa s LEU 178 Ca -0.10 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 1yqa s LEU 178 Cb -0.13 2.58 -0.08 0.00 0.03 0.00 0.00 46.19 48.59 1yqa s LEU 178 CO 0.00 -1.22 1.28 0.42 0.23 0.00 0.00 176.35 177.06 1yqa s THR 179 N -3.76 2.69 0.45 5.49 -4.23 -1.26 -4.76 115.64 110.26 1yqa s THR 179 Ca 0.11 0.60 0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1yqa s THR 179 Cb -0.05 -3.35 0.33 0.00 1.34 0.00 0.00 72.50 70.78 1yqa s THR 179 CO 0.05 0.07 1.99 1.88 -0.54 0.00 0.00 174.62 178.08 1yqa h TYR 180 N 2.58 0.35 -0.21 3.99 -1.99 -1.98 0.38 116.97 120.09 1yqa h TYR 180 Ca -0.50 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.23 1yqa h TYR 180 Cb 1.25 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 1yqa h TYR 180 CO 0.53 0.17 0.09 -0.22 -0.00 0.00 0.00 178.16 178.73 1yqa h LYS 181 N 0.33 0.30 -0.39 4.88 3.64 -1.90 -2.86 116.57 120.57 1yqa h LYS 181 Ca 0.25 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1yqa h LYS 181 Cb 0.56 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1yqa h LYS 181 CO -0.06 0.35 -0.14 1.49 -2.27 0.00 0.00 179.45 178.81 1yqa h GLU 182 N 0.19 0.72 -0.45 1.90 4.57 -1.23 -2.96 114.58 117.33 1yqa h GLU 182 Ca 0.07 -0.25 0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1yqa h GLU 182 Cb 0.15 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.60 1yqa h GLU 182 CO -0.01 0.83 -0.13 0.52 -1.18 0.00 0.00 179.01 179.05 1yqa h MET 183 N 0.65 -0.02 0.35 1.92 2.86 -0.14 0.16 114.93 120.71 1yqa h MET 183 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1yqa h MET 183 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1yqa h MET 183 CO 0.04 -0.01 -0.17 0.82 1.06 0.00 0.00 176.91 178.65 1yqa h ILE 184 N -0.02 0.65 -0.18 -1.22 2.04 -1.43 -1.43 117.51 115.91 1yqa h ILE 184 Ca 0.22 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1yqa h ILE 184 Cb 0.35 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1yqa h ILE 184 CO -0.47 0.08 0.22 -0.07 0.00 0.00 0.00 178.15 177.91 1yqa h LEU 185 N -0.71 0.00 0.13 1.44 4.07 -1.31 0.29 115.31 119.21 1yqa h LEU 185 Ca -0.05 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.61 1yqa h LEU 185 Cb 0.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1yqa h LEU 185 CO 0.08 0.00 -1.51 0.50 -1.08 0.00 0.00 178.44 176.43 1yqa h LYS 186 N 0.00 0.27 0.00 1.13 1.63 -0.46 -3.33 116.57 115.82 1yqa h LYS 186 Ca 0.09 -0.47 -0.13 0.00 -0.85 0.00 0.00 60.65 59.29 1yqa h LYS 186 Cb 0.53 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1yqa h LYS 186 CO -0.00 1.15 -0.62 0.66 -3.45 0.00 0.00 179.45 177.20 1yqa h SER 187 N 0.07 0.00 -0.19 4.20 4.64 -0.07 -3.37 113.55 118.84 1yqa h SER 187 Ca -0.24 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1yqa h SER 187 Cb 2.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.08 1yqa h SER 187 CO 0.17 0.62 -0.06 0.24 -0.87 0.00 0.00 176.83 176.93 1yqa h MET 188 N 0.00 -0.02 -0.84 4.77 2.86 -0.61 -1.41 114.93 119.68 1yqa h MET 188 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1yqa h MET 188 Cb 1.39 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 1yqa h MET 188 CO 0.08 -0.01 0.55 -1.00 1.06 0.00 0.00 176.91 177.59 1yqa h PRO 189 N -0.02 1.11 -0.00 -0.22 0.13 -1.74 -2.80 132.00 128.46 1yqa h PRO 189 Ca 0.10 -0.07 -0.26 0.00 -0.87 0.00 0.00 66.00 64.90 1yqa h PRO 189 Cb 0.16 -0.25 0.02 0.00 0.13 0.00 0.00 31.00 31.06 1yqa h PRO 189 CO -0.21 0.74 -1.02 -0.56 -0.23 0.00 0.00 178.00 176.72 1yqa h GLN 190 N 1.14 0.66 -6.22 0.86 3.07 -1.74 -0.75 115.11 112.13 1yqa h GLN 190 Ca 0.31 -0.70 -0.56 0.00 0.09 0.00 0.00 58.65 57.78 1yqa h GLN 190 Cb -0.13 0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 1yqa h GLN 190 CO -0.07 1.29 1.26 -0.51 0.09 0.00 0.00 178.83 180.90 1yqa s LEU 191 N -8.06 3.88 -1.39 0.06 1.43 -0.54 -2.68 118.68 111.38 1yqa s LEU 191 Ca -0.09 1.93 -0.08 0.00 -1.03 0.00 0.00 54.13 54.86 1yqa s LEU 191 Cb 0.07 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.82 1yqa s LEU 191 CO 0.91 -1.43 0.55 0.59 0.23 0.00 0.00 176.35 177.21 1yqa n ASN 192 N 9.23 -4.63 -2.96 2.29 3.02 -1.26 -0.55 115.26 120.40 1yqa n ASN 192 Ca 0.22 -0.37 -0.21 0.00 -0.03 0.00 0.00 54.58 54.19 1yqa n ASN 192 Cb 0.44 -3.78 0.02 0.00 -0.61 0.00 0.00 39.78 35.85 1yqa n ASN 192 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1yqa n ASP 193 N -2.40 -5.37 -0.72 6.41 2.03 -1.09 -1.83 116.55 113.58 1yqa n ASP 193 Ca -0.05 -0.23 -0.07 0.00 0.52 0.00 0.00 54.79 54.97 1yqa n ASP 193 Cb 0.57 -4.39 -0.01 0.00 -0.72 0.00 0.00 41.12 36.57 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yqa n GLY 194 N -1.32 0.26 0.14 0.27 0.00 0.29 -4.91 105.19 99.92 1yqa n GLY 194 Ca -0.11 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 0.48 0.00 1.61 1.57 -1.37 -3.43 116.57 115.43 1yqa h LYS 195 Ca -0.16 -0.80 0.00 0.00 -1.87 0.00 0.00 60.65 57.82 1yqa h LYS 195 Cb 0.98 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1yqa h LYS 195 CO 0.19 1.38 0.00 0.41 -0.57 0.00 0.00 179.45 180.87 1yqa n GLY 196 N 1.68 4.30 3.31 3.86 0.00 -1.26 -4.72 105.19 112.36 1yqa n GLY 196 Ca -0.16 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.48 0.64 1.61 1.04 -0.14 -4.76 113.70 111.61 1yqa s SER 197 Ca 0.00 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.16 1yqa s SER 197 Cb 0.00 0.85 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 1yqa s SER 197 CO 0.00 -0.17 1.14 -0.94 0.98 0.00 0.00 173.24 174.25 1yqa s SER 198 N 0.67 5.08 0.27 7.02 1.04 -1.26 -0.43 113.70 126.10 1yqa s SER 198 Ca -0.04 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.53 1yqa s SER 198 Cb -0.05 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 64.08 1yqa s SER 198 CO -0.05 -1.65 1.76 -0.09 0.98 0.00 0.00 173.24 174.19 1yqa h ARG 199 N 0.28 0.61 -0.73 4.02 2.43 -1.73 0.15 114.38 119.41 1yqa h ARG 199 Ca -0.48 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1yqa h ARG 199 Cb 1.26 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1yqa h ARG 199 CO 0.54 0.40 0.35 0.82 -1.51 0.00 0.00 179.97 180.57 1yqa h ILE 200 N 0.63 1.24 -0.13 1.20 2.04 -1.89 0.43 117.51 121.04 1yqa h ILE 200 Ca 0.49 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1yqa h ILE 200 Cb 0.72 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1yqa h ILE 200 CO -0.38 0.28 0.02 0.58 0.00 0.00 0.00 178.15 178.65 1yqa h VAL 201 N 1.03 1.23 -0.73 1.67 2.07 -1.57 -2.42 116.25 117.52 1yqa h VAL 201 Ca 0.25 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1yqa h VAL 201 Cb 0.12 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1yqa h VAL 201 CO -0.03 0.21 0.39 0.25 0.02 0.00 0.00 177.57 178.41 1yqa h LEU 202 N -0.02 0.93 -0.59 2.57 5.85 -0.44 -2.12 115.31 121.49 1yqa h LEU 202 Ca 0.04 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1yqa h LEU 202 Cb 0.31 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1yqa h LEU 202 CO 0.00 0.77 0.32 0.50 -0.34 0.00 0.00 178.44 179.69 1yqa h LYS 203 N 1.02 0.59 -0.91 1.25 3.64 -0.06 0.34 116.57 122.43 1yqa h LYS 203 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1yqa h LYS 203 Cb 0.06 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1yqa h LYS 203 CO -0.04 0.39 0.58 1.57 -2.27 0.00 0.00 179.45 179.68 1yqa h LYS 204 N 0.61 1.22 0.00 1.90 2.10 -1.00 0.19 116.57 121.60 1yqa h LYS 204 Ca 0.26 -0.09 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1yqa h LYS 204 Cb 0.14 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 1yqa h LYS 204 CO -0.16 0.83 -0.00 -0.92 -2.00 0.00 0.00 179.45 177.20 1yqa h TYR 205 N 1.25 -0.01 -0.84 0.07 3.20 -0.56 -1.44 116.97 118.65 1yqa h TYR 205 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1yqa h TYR 205 Cb -0.10 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1yqa h TYR 205 CO 0.00 0.60 0.54 0.28 -1.64 0.00 0.00 178.16 177.94 1yqa h VAL 206 N -0.62 1.13 -0.34 1.81 2.07 -0.26 0.18 116.25 120.21 1yqa h VAL 206 Ca -0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1yqa h VAL 206 Cb 0.61 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1yqa h VAL 206 CO 0.00 0.19 0.09 0.11 0.02 0.00 0.00 177.57 177.98 1yqa h LYS 207 N 1.04 0.55 0.01 1.57 1.57 -0.99 -2.59 116.57 117.72 1yqa h LYS 207 Ca 0.34 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1yqa h LYS 207 Cb 0.02 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1yqa h LYS 207 CO -0.12 0.59 -0.35 0.22 -0.57 0.00 0.00 179.45 179.22 1yqa h ASP 208 N 0.40 0.29 -0.06 0.86 1.82 -0.67 -2.56 116.42 116.51 1yqa h ASP 208 Ca 0.11 -0.79 -0.01 0.00 -0.39 0.00 0.00 57.03 55.94 1yqa h ASP 208 Cb 0.28 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 1yqa h ASP 208 CO -0.00 1.05 -0.01 0.71 -1.61 0.00 0.00 179.24 179.38 1yqa h THR 209 N -0.43 1.28 -3.35 2.25 1.35 -0.76 -3.38 112.91 109.86 1yqa h THR 209 Ca -0.05 -0.89 -0.68 0.00 -0.55 0.00 0.00 66.41 64.25 1yqa h THR 209 Cb 1.11 1.76 -0.18 0.00 -1.73 0.00 0.00 68.15 69.12 1yqa h THR 209 CO 0.07 0.24 0.01 -0.31 -0.25 0.00 0.00 175.52 175.28 1yqa s TYR 210 N -4.78 3.07 0.35 4.73 1.51 -0.98 -4.73 117.35 116.53 1yqa s TYR 210 Ca -0.15 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 1yqa s TYR 210 Cb 0.04 -3.40 0.65 0.00 -0.11 0.00 0.00 41.96 39.13 1yqa s TYR 210 CO 0.69 -0.95 2.00 -1.35 -1.11 0.00 0.00 175.55 174.83 1yqa h PRO 211 N 8.93 0.83 -0.83 -1.71 0.11 -1.76 -1.24 132.00 136.33 1yqa h PRO 211 Ca -0.27 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1yqa h PRO 211 Cb 1.10 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 1yqa h PRO 211 CO 0.93 0.55 0.55 -0.84 -0.21 0.00 0.00 178.00 178.97 1yqa h ILE 212 N 0.85 1.17 -0.12 4.15 3.07 -1.88 -1.00 117.51 123.75 1yqa h ILE 212 Ca 0.24 -0.37 -0.02 0.00 1.55 0.00 0.00 64.86 66.26 1yqa h ILE 212 Cb -0.06 0.00 -0.00 0.00 -0.27 0.00 0.00 36.82 36.49 1yqa h ILE 212 CO -0.06 0.20 -0.00 0.58 -1.05 0.00 0.00 178.15 177.82 1yqa h VAL 213 N 1.07 1.26 -0.86 0.16 2.07 -1.51 0.23 116.25 118.66 1yqa h VAL 213 Ca 0.32 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1yqa h VAL 213 Cb -0.05 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1yqa h VAL 213 CO -0.08 0.24 0.57 1.23 0.02 0.00 0.00 177.57 179.55 1yqa h GLY 214 N -0.05 1.23 2.00 2.17 0.00 -0.88 -2.06 103.07 105.47 1yqa h GLY 214 Ca 0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1yqa h GLY 214 CO 0.01 0.38 -0.66 0.23 0.00 0.00 0.00 176.54 176.50 1yqa h SER 215 N 1.09 0.00 -3.40 0.19 0.87 -1.12 -3.46 113.55 107.71 1yqa h SER 215 Ca 0.34 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.36 1yqa h SER 215 Cb 0.00 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1yqa h SER 215 CO -0.10 0.66 0.85 0.00 -0.53 0.00 0.00 176.83 177.72 1yqa n ALA 216 N -2.27 2.50 -0.01 6.23 0.00 0.06 -4.96 120.51 122.06 1yqa n ALA 216 Ca 0.01 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1yqa n ALA 216 Cb 0.80 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.79 1yqa n ALA 216 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yqa h SER 217 N 4.40 -0.06 -0.35 0.00 4.64 -1.90 -3.36 113.55 116.93 1yqa h SER 217 Ca -0.48 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.63 1yqa h SER 217 Cb 1.23 0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 63.23 1yqa h SER 217 CO 0.76 0.31 0.28 -0.46 -0.87 0.00 0.00 176.83 176.85 1yqa n ASN 218 N -4.14 4.89 0.06 4.97 6.94 -1.26 -4.41 115.26 122.31 1yqa n ASN 218 Ca -0.01 -2.75 -0.13 0.00 -0.02 0.00 0.00 54.58 51.67 1yqa n ASN 218 Cb 0.03 -0.88 -0.08 0.00 -2.36 0.00 0.00 39.78 36.49 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1yqa h PHE 219 N 0.91 -0.10 -0.78 -2.53 3.57 -1.90 -3.08 116.94 113.03 1yqa h PHE 219 Ca 0.22 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.88 1yqa h PHE 219 Cb 1.25 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 1yqa h PHE 219 CO 0.61 0.08 0.29 0.22 -2.23 0.00 0.00 178.31 177.28 1yqa h ASP 220 N -0.26 0.23 -0.28 0.41 3.58 -1.90 0.60 116.42 118.80 1yqa h ASP 220 Ca -0.01 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1yqa h ASP 220 Cb 0.22 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1yqa h ASP 220 CO 0.02 0.05 0.13 0.22 -2.88 0.00 0.00 179.24 176.78 1yqa h TYR 221 N 0.40 0.41 -0.35 0.28 3.20 -1.91 -2.30 116.97 116.69 1yqa h TYR 221 Ca 0.44 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.22 1yqa h TYR 221 Cb 0.72 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1yqa h TYR 221 CO -0.18 0.39 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.59 1yqa h LEU 222 N 0.32 0.56 0.00 2.82 3.38 -1.02 -2.31 115.31 119.07 1yqa h LEU 222 Ca 0.10 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yqa h LEU 222 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yqa h LEU 222 CO -0.01 0.68 -0.07 0.15 0.09 0.00 0.00 178.44 179.28 1yqa h PHE 223 N 0.55 -0.18 -0.83 1.13 3.57 0.48 0.36 116.94 122.01 1yqa h PHE 223 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1yqa h PHE 223 Cb 0.45 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1yqa h PHE 223 CO 0.02 -0.11 0.50 -0.97 -2.23 0.00 0.00 178.31 175.51 1yqa h ASN 224 N -0.13 1.00 -0.54 0.41 -1.24 -1.27 -0.91 115.58 112.89 1yqa h ASN 224 Ca 0.03 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 1yqa h ASN 224 Cb 0.17 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1yqa h ASN 224 CO -0.08 0.77 0.06 -1.28 -1.29 0.00 0.00 177.43 175.61 1yqa h SER 225 N 1.14 0.92 -0.41 1.15 0.87 -0.81 0.12 113.55 116.53 1yqa h SER 225 Ca 0.30 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1yqa h SER 225 Cb -0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1yqa h SER 225 CO -0.06 0.94 0.17 0.00 -0.53 0.00 0.00 176.83 177.36 1yqa h ALA 226 N 1.17 0.54 -0.30 6.23 0.00 0.66 0.15 119.26 127.71 1yqa h ALA 226 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yqa h ALA 226 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yqa h ALA 226 CO 0.01 0.13 0.15 0.82 0.00 0.00 0.00 179.25 180.37 1yqa h ILE 227 N 0.53 1.15 -0.75 0.00 2.04 -0.80 -0.33 117.51 119.34 1yqa h ILE 227 Ca 0.14 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1yqa h ILE 227 Cb 0.17 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1yqa h ILE 227 CO -0.01 0.15 0.42 0.50 0.00 0.00 0.00 178.15 179.21 1yqa h LYS 228 N 0.36 1.02 -0.27 2.37 3.64 -0.51 0.13 116.57 123.31 1yqa h LYS 228 Ca 0.10 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1yqa h LYS 228 Cb 0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1yqa h LYS 228 CO -0.01 0.74 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.47 1yqa h LYS 229 N 1.03 0.49 -0.24 1.90 3.64 -0.29 -2.56 116.57 120.54 1yqa h LYS 229 Ca 0.27 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1yqa h LYS 229 Cb -0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1yqa h LYS 229 CO -0.05 0.67 -0.43 0.00 -2.27 0.00 0.00 179.45 177.37 1yqa h VAL 231 N 0.44 1.27 -0.34 0.00 -1.51 -0.63 0.44 116.25 115.92 1yqa h VAL 231 Ca 0.01 -1.36 -0.11 0.00 -1.23 0.00 0.00 66.70 64.02 1yqa h VAL 231 Cb 1.03 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1yqa h VAL 231 CO 0.10 0.47 -0.23 1.05 -1.23 0.00 0.00 177.57 177.73 1yqa h GLU 232 N 0.85 0.67 0.00 5.19 4.11 -1.54 -2.28 114.58 121.57 1yqa h GLU 232 Ca 0.11 -0.26 -0.05 0.00 0.07 0.00 0.00 59.36 59.23 1yqa h GLU 232 Cb 0.77 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1yqa h GLU 232 CO 0.06 0.84 -0.26 -0.91 0.07 0.00 0.00 179.01 178.81 1yqa h ASN 233 N 0.59 0.00 0.00 3.06 2.35 -1.17 -3.46 115.58 116.94 1yqa h ASN 233 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1yqa h ASN 233 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1yqa h ASN 233 CO 0.05 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 1yqa n GLY 234 N -0.22 0.76 0.16 2.83 0.00 0.03 -4.91 105.19 103.84 1yqa n GLY 234 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 3.54 0.24 -4.96 1.61 4.39 -1.51 -3.27 114.58 114.61 1yqa h GLU 235 Ca 0.00 -0.18 -0.43 0.00 0.34 0.00 0.00 59.36 59.09 1yqa h GLU 235 Cb 0.00 0.03 -0.29 0.00 -0.10 0.00 0.00 28.75 28.40 1yqa h GLU 235 CO 0.00 0.81 -0.79 -1.17 -1.16 0.00 0.00 179.01 176.70 1yqa s LEU 236 N -7.82 2.02 -0.06 1.33 0.20 -0.95 -0.42 118.68 112.98 1yqa s LEU 236 Ca -0.04 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.62 1yqa s LEU 236 Cb 0.12 -0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 1yqa s LEU 236 CO 0.81 0.13 -0.18 0.68 -0.29 0.00 0.00 176.35 177.50 1yqa s VAL 237 N -0.27 2.73 -0.59 1.68 -7.23 0.01 -3.40 120.40 113.35 1yqa s VAL 237 Ca 0.04 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1yqa s VAL 237 Cb -0.04 -2.05 0.18 0.00 0.56 0.00 0.00 36.38 35.02 1yqa s VAL 237 CO -0.00 0.58 0.46 0.00 -0.31 0.00 0.00 175.10 175.82 1yqa n GLN 238 N 2.60 1.25 -0.01 4.82 1.13 -1.26 -2.01 117.38 123.89 1yqa n GLN 238 Ca -0.17 -3.99 -0.16 0.00 -1.94 0.00 0.00 57.00 50.74 1yqa n GLN 238 Cb 0.52 -2.03 -0.05 0.00 0.11 0.00 0.00 30.24 28.79 1yqa n GLN 238 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1yqa h PRO 239 N 5.35 0.73 -0.89 -1.09 0.11 -1.98 -3.18 132.00 131.04 1yqa h PRO 239 Ca 0.19 -0.59 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 1yqa h PRO 239 Cb 0.81 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.96 1yqa h PRO 239 CO 0.59 1.20 0.16 1.63 -0.21 0.00 0.00 178.00 181.37 1yqa n LYS 240 N -3.92 2.38 -0.42 1.05 5.02 -1.26 -5.02 118.16 115.98 1yqa n LYS 240 Ca -0.07 -1.59 0.05 0.00 -2.02 0.00 0.00 58.31 54.69 1yqa n LYS 240 Cb 0.73 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1yqa n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yqa n GLY 241 N 0.01 -1.94 0.35 0.72 0.00 -1.20 -2.62 105.19 100.51 1yqa n GLY 241 Ca 0.22 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.40 0.95 -0.00 1.61 0.11 -1.95 -0.32 132.00 132.00 1yqa h PRO 242 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1yqa h PRO 242 Cb 0.39 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1yqa h PRO 242 CO 0.01 0.63 -0.02 0.43 -0.21 0.00 0.00 178.00 178.84 1yqa n SER 243 N -4.63 0.21 0.00 -2.05 7.64 -1.26 -4.47 113.62 109.07 1yqa n SER 243 Ca 0.17 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1yqa n SER 243 Cb 0.30 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1yqa n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yqa n GLY 244 N 1.14 0.94 3.49 0.23 0.00 -0.13 -4.42 105.19 106.44 1yqa n GLY 244 Ca 0.19 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 0.59 4.45 -0.32 -0.61 2.07 -1.26 -2.81 121.20 123.32 1yqa s ILE 245 Ca 0.00 -0.13 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 1yqa s ILE 245 Cb 0.00 -3.07 0.02 0.00 0.13 0.00 0.00 42.46 39.54 1yqa s ILE 245 CO 0.00 0.35 1.09 -0.63 -1.91 0.00 0.00 174.94 173.84 1yqa s ILE 246 N 1.40 4.49 -0.05 2.00 1.09 0.43 -4.47 121.20 126.10 1yqa s ILE 246 Ca 0.05 1.72 0.05 0.00 -1.10 0.00 0.00 60.65 61.37 1yqa s ILE 246 Cb -0.15 -4.40 -0.02 0.00 -1.06 0.00 0.00 42.46 36.83 1yqa s ILE 246 CO 0.04 -0.48 -0.18 -0.54 -0.10 0.00 0.00 174.94 173.68 1yqa s LYS 247 N 3.67 2.48 -0.38 2.79 1.02 -0.85 -0.97 119.74 127.50 1yqa s LYS 247 Ca 0.46 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 1yqa s LYS 247 Cb -0.12 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1yqa s LYS 247 CO 0.16 0.55 1.03 -1.17 -0.92 0.00 0.00 175.35 175.00 1yqa s LEU 248 N -0.55 3.88 -0.01 3.17 2.96 -1.26 -0.81 118.68 126.07 1yqa s LEU 248 Ca 0.08 0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 54.61 1yqa s LEU 248 Cb -0.11 -3.44 -0.31 0.00 0.50 0.00 0.00 46.19 42.84 1yqa s LEU 248 CO 0.01 -0.97 0.82 -1.13 -1.32 0.00 0.00 176.35 173.76 1yqa h ASN 249 N 8.53 0.57 -5.54 3.68 -1.24 -1.48 -3.47 115.58 116.63 1yqa h ASN 249 Ca -0.22 -0.77 -0.13 0.00 0.71 0.00 0.00 56.30 55.89 1yqa h ASN 249 Cb 1.07 -0.19 0.06 0.00 0.73 0.00 0.00 38.32 39.99 1yqa h ASN 249 CO 1.04 1.64 -0.38 1.17 -1.29 0.00 0.00 177.43 179.61 1yqa n LYS 250 N -3.56 -1.59 0.22 6.67 4.81 0.44 -4.90 118.16 120.24 1yqa n LYS 250 Ca -0.20 1.20 0.09 0.00 -0.87 0.00 0.00 58.31 58.54 1yqa n LYS 250 Cb 1.07 -5.46 0.43 0.00 0.02 0.00 0.00 35.03 31.08 1yqa n LYS 250 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yqa h LYS 251 N -0.18 0.00 -2.62 1.64 3.64 -1.75 -3.29 116.57 114.01 1yqa h LYS 251 Ca -0.26 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.90 1yqa h LYS 251 Cb 1.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1yqa h LYS 251 CO 0.36 0.24 0.78 0.36 -2.27 0.00 0.00 179.45 178.92 1yqa n LYS 252 N -3.39 1.68 -1.70 1.90 2.85 -1.26 -4.91 118.16 113.32 1yqa n LYS 252 Ca 0.00 -0.95 -0.44 0.00 -1.05 0.00 0.00 58.31 55.87 1yqa n LYS 252 Cb 0.45 -2.04 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 1yqa n LYS 252 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yqa n VAL 253 N 3.07 0.63 -3.56 0.58 0.31 -1.24 -4.97 118.33 113.14 1yqa n VAL 253 Ca 0.36 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1yqa n VAL 253 Cb 0.48 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 1yqa n VAL 253 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1yqa s LYS 254 N 0.08 0.60 0.24 5.55 -2.85 -1.26 -5.14 119.74 116.96 1yqa s LYS 254 Ca 0.70 -0.08 -0.31 0.00 -1.00 0.00 0.00 55.97 55.29 1yqa s LYS 254 Cb -0.58 0.28 -0.11 0.00 -2.06 0.00 0.00 37.83 35.35 1yqa s LYS 254 CO 0.44 -0.23 1.61 -0.51 0.10 0.00 0.00 175.35 176.76 1yqa s LEU 255 N -1.82 4.36 -0.29 2.77 2.01 -1.26 -4.97 118.68 119.48 1yqa s LEU 255 Ca 0.03 2.82 -0.19 0.00 0.01 0.00 0.00 54.13 56.80 1yqa s LEU 255 Cb -0.01 -3.61 0.16 0.00 0.01 0.00 0.00 46.19 42.74 1yqa s LEU 255 CO -0.04 -0.89 1.12 -0.55 1.01 0.00 0.00 176.35 177.00 1yqa s SER 256 N 0.82 -0.33 0.00 2.29 0.15 -1.26 -5.31 113.70 110.06 1yqa s SER 256 Ca 0.68 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1yqa s SER 256 Cb -0.47 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1yqa s SER 256 CO 0.39 -0.09 0.00 0.41 1.20 0.00 0.00 173.24 175.15