#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 0.00 -1.50 7.82 0.00 -1.26 -5.07 120.51 120.51 1yqa n ALA 172 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1yqa n ALA 172 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1yqa n ALA 172 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yqa s SER 173 N -1.00 5.17 0.57 0.00 0.01 -1.26 -4.98 113.70 112.20 1yqa s SER 173 Ca 0.00 1.85 -0.19 0.00 1.31 0.00 0.00 55.95 58.92 1yqa s SER 173 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1yqa s SER 173 CO 0.00 -1.59 0.92 -1.20 0.41 0.00 0.00 173.24 171.78 1yqa n SER 174 N -2.70 0.64 -0.17 2.44 7.64 -1.26 -5.02 113.62 115.19 1yqa n SER 174 Ca 0.09 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1yqa n SER 174 Cb 0.53 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1yqa n SER 174 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1yqa n PRO 175 N -0.73 3.42 -3.92 1.43 -0.04 -1.26 -4.65 135.00 129.25 1yqa n PRO 175 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1yqa n PRO 175 Cb 0.46 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.53 0.30 -1.19 3.54 0.01 -1.26 -4.50 113.70 109.06 1yqa s SER 176 Ca 0.00 -1.22 -0.02 0.00 1.31 0.00 0.00 55.95 56.01 1yqa s SER 176 Cb 0.00 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1yqa s SER 176 CO 0.00 -1.52 1.01 -1.20 0.41 0.00 0.00 173.24 171.94 1yqa n SER 177 N -1.31 -3.08 -4.17 2.44 7.64 -1.26 -5.02 113.62 108.86 1yqa n SER 177 Ca -0.05 -0.58 -0.11 0.00 1.01 0.00 0.00 58.87 59.15 1yqa n SER 177 Cb 0.60 -4.93 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 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 -6.41 2.51 0.61 -3.43 1.43 -1.26 -5.14 118.68 106.98 1yqa s LEU 178 Ca 0.14 -1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 1yqa s LEU 178 Cb -0.06 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.06 1yqa s LEU 178 CO 0.70 -0.46 1.19 -0.89 0.23 0.00 0.00 176.35 177.12 1yqa s THR 179 N -3.60 2.73 0.26 5.49 2.01 -1.26 -4.74 115.64 116.52 1yqa s THR 179 Ca 0.12 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.53 1yqa s THR 179 Cb 0.05 -3.12 0.24 0.00 0.01 0.00 0.00 72.50 69.68 1yqa s THR 179 CO -0.05 -0.12 1.75 1.88 -0.69 0.00 0.00 174.62 177.40 1yqa h TYR 180 N 0.71 0.71 -0.68 4.92 -1.99 -2.00 0.11 116.97 118.75 1yqa h TYR 180 Ca -0.50 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.28 1yqa h TYR 180 Cb 1.29 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.79 1yqa h TYR 180 CO 0.48 0.15 0.45 -0.22 -0.00 0.00 0.00 178.16 179.01 1yqa h LYS 181 N 0.58 0.88 -0.20 4.88 3.64 -1.91 -2.04 116.57 122.40 1yqa h LYS 181 Ca 0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.72 1yqa h LYS 181 Cb 0.66 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1yqa h LYS 181 CO -0.38 0.58 -0.16 0.93 -2.27 0.00 0.00 179.45 178.15 1yqa h GLU 182 N 0.90 0.33 -0.48 1.90 5.08 -1.24 -0.42 114.58 120.65 1yqa h GLU 182 Ca 0.25 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1yqa h GLU 182 Cb -0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1yqa h GLU 182 CO -0.06 0.49 0.25 0.52 -1.00 0.00 0.00 179.01 179.21 1yqa h MET 183 N 0.31 0.49 -0.43 2.33 2.86 -0.21 -2.28 114.93 118.00 1yqa h MET 183 Ca 0.06 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1yqa h MET 183 Cb 0.47 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1yqa h MET 183 CO 0.03 0.32 -0.20 0.82 1.06 0.00 0.00 176.91 178.95 1yqa h ILE 184 N 0.50 1.28 -0.93 -1.22 2.04 -1.07 -2.84 117.51 115.27 1yqa h ILE 184 Ca 0.20 -1.34 0.16 0.00 1.00 0.00 0.00 64.86 64.88 1yqa h ILE 184 Cb 0.08 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1yqa h ILE 184 CO -0.13 0.45 0.59 -0.07 0.00 0.00 0.00 178.15 179.00 1yqa h LEU 185 N 0.72 0.67 0.09 1.44 3.38 -0.52 0.55 115.31 121.64 1yqa h LEU 185 Ca 0.10 0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.84 1yqa h LEU 185 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1yqa h LEU 185 CO 0.06 0.31 -1.35 0.50 0.09 0.00 0.00 178.44 178.05 1yqa h LYS 186 N 0.69 0.18 -0.10 1.13 1.63 -1.49 -3.35 116.57 115.27 1yqa h LYS 186 Ca 0.48 -0.31 -0.19 0.00 -0.85 0.00 0.00 60.65 59.78 1yqa h LYS 186 Cb 0.80 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1yqa h LYS 186 CO -0.24 1.07 -0.72 0.77 -3.45 0.00 0.00 179.45 176.88 1yqa h SER 187 N 0.05 0.54 -0.03 4.20 0.02 -0.92 -3.35 113.55 114.05 1yqa h SER 187 Ca -0.17 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.47 1yqa h SER 187 Cb 1.95 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 64.28 1yqa h SER 187 CO 0.16 1.09 -0.28 0.24 -1.14 0.00 0.00 176.83 176.90 1yqa h MET 188 N 0.32 -0.39 -0.11 3.45 2.86 -0.10 -1.41 114.93 119.54 1yqa h MET 188 Ca -0.03 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1yqa h MET 188 Cb 1.29 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 1yqa h MET 188 CO 0.13 -0.26 0.08 -1.00 1.06 0.00 0.00 176.91 176.92 1yqa h PRO 189 N -0.40 0.00 -0.27 -0.22 0.13 -1.75 -1.71 132.00 127.78 1yqa h PRO 189 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 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 -0.26 0.00 -0.37 1.96 -0.23 0.00 0.00 178.00 179.10 1yqa h GLN 190 N 0.00 0.73 -6.34 0.86 1.08 -1.48 -0.70 115.11 109.25 1yqa h GLN 190 Ca 0.05 -0.42 -0.57 0.00 -1.45 0.00 0.00 58.65 56.26 1yqa h GLN 190 Cb 0.22 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1yqa h GLN 190 CO -0.00 1.04 1.00 -0.51 -0.95 0.00 0.00 178.83 179.41 1yqa s LEU 191 N -8.87 3.89 -1.53 1.46 1.43 -0.61 -3.60 118.68 110.85 1yqa s LEU 191 Ca -0.12 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 1yqa s LEU 191 Cb 0.09 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.85 1yqa s LEU 191 CO 0.84 -1.11 0.85 0.59 0.23 0.00 0.00 176.35 177.76 1yqa n ASN 192 N 7.75 -3.57 -2.53 2.29 3.02 -1.26 -1.06 115.26 119.90 1yqa n ASN 192 Ca 0.15 -0.86 -0.18 0.00 -0.03 0.00 0.00 54.58 53.66 1yqa n ASN 192 Cb 0.46 -3.58 -0.00 0.00 -0.61 0.00 0.00 39.78 36.05 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 -2.84 -5.16 -0.80 6.41 8.00 -1.22 -1.29 116.55 119.66 1yqa n ASP 193 Ca -0.03 0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.40 1yqa n ASP 193 Cb 0.55 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.35 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 -1.01 0.23 0.12 0.44 0.00 -0.23 -4.89 105.19 99.85 1yqa n GLY 194 Ca -0.19 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.91 0.70 0.00 1.61 5.02 -0.41 -3.97 118.16 119.21 1yqa n LYS 195 Ca -0.09 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1yqa n LYS 195 Cb 0.51 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.87 4.21 3.40 0.72 0.00 -1.26 -4.38 105.19 109.76 1yqa n GLY 196 Ca -0.29 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.49 0.74 1.61 0.01 -0.07 -4.64 113.70 110.86 1yqa s SER 197 Ca 0.00 0.74 -0.15 0.00 1.31 0.00 0.00 55.95 57.86 1yqa s SER 197 Cb 0.00 0.77 0.04 0.00 0.21 0.00 0.00 66.02 67.04 1yqa s SER 197 CO 0.00 -0.34 1.20 -0.94 0.41 0.00 0.00 173.24 173.57 1yqa s SER 198 N -0.45 4.15 0.47 2.44 1.04 -1.26 0.16 113.70 120.25 1yqa s SER 198 Ca -0.06 2.34 0.15 0.00 0.48 0.00 0.00 55.95 58.87 1yqa s SER 198 Cb -0.03 -2.59 1.12 0.00 0.10 0.00 0.00 66.02 64.62 1yqa s SER 198 CO 0.04 -2.29 2.03 -0.09 0.98 0.00 0.00 173.24 173.91 1yqa h ARG 199 N -0.36 0.26 -0.41 4.02 2.43 -1.61 0.12 114.38 118.82 1yqa h ARG 199 Ca -0.47 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1yqa h ARG 199 Cb 1.29 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1yqa h ARG 199 CO 0.49 0.17 -0.23 0.82 -1.51 0.00 0.00 179.97 179.72 1yqa h ILE 200 N 0.27 1.28 -0.46 1.20 2.04 -1.90 0.16 117.51 120.10 1yqa h ILE 200 Ca 0.19 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1yqa h ILE 200 Cb 0.42 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1yqa h ILE 200 CO -0.04 0.46 0.13 0.58 0.00 0.00 0.00 178.15 179.28 1yqa h VAL 201 N 0.70 1.23 -0.75 1.67 2.07 -1.46 -2.17 116.25 117.54 1yqa h VAL 201 Ca 0.09 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1yqa h VAL 201 Cb 0.80 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1yqa h VAL 201 CO 0.07 0.28 0.32 0.25 0.02 0.00 0.00 177.57 178.50 1yqa h LEU 202 N 0.61 1.01 -0.74 2.57 5.85 -0.71 -2.47 115.31 121.44 1yqa h LEU 202 Ca 0.15 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1yqa h LEU 202 Cb 0.30 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1yqa h LEU 202 CO -0.00 0.89 0.42 0.50 -0.34 0.00 0.00 178.44 179.91 1yqa h LYS 203 N 1.08 0.75 -0.34 1.25 3.64 -0.23 0.39 116.57 123.11 1yqa h LYS 203 Ca 0.25 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1yqa h LYS 203 Cb 0.18 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1yqa h LYS 203 CO -0.02 0.50 0.03 1.57 -2.27 0.00 0.00 179.45 179.25 1yqa h LYS 204 N 0.77 0.51 -0.01 1.90 2.10 -0.95 -0.37 116.57 120.52 1yqa h LYS 204 Ca 0.33 -0.10 -0.07 0.00 -2.00 0.00 0.00 60.65 58.82 1yqa h LYS 204 Cb 0.20 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1yqa h LYS 204 CO -0.19 0.52 -0.25 -0.92 -2.00 0.00 0.00 179.45 176.61 1yqa h TYR 205 N 0.50 0.27 -0.34 0.07 3.20 -0.95 -2.41 116.97 117.31 1yqa h TYR 205 Ca 0.11 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1yqa h TYR 205 Cb 0.28 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1yqa h TYR 205 CO 0.01 0.93 0.09 0.28 -1.64 0.00 0.00 178.16 177.83 1yqa h VAL 206 N -0.46 0.87 -0.49 1.81 2.07 -0.04 0.26 116.25 120.26 1yqa h VAL 206 Ca -0.03 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1yqa h VAL 206 Cb 0.99 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1yqa h VAL 206 CO 0.05 0.04 0.23 0.11 0.02 0.00 0.00 177.57 178.02 1yqa h LYS 207 N 0.22 0.72 -0.23 1.57 1.57 -1.16 -1.48 116.57 117.77 1yqa h LYS 207 Ca 0.15 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1yqa h LYS 207 Cb 0.15 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1yqa h LYS 207 CO -0.18 0.61 -0.40 0.22 -0.57 0.00 0.00 179.45 179.13 1yqa h ASP 208 N 0.65 0.75 -0.11 0.86 1.82 -0.89 -3.31 116.42 116.19 1yqa h ASP 208 Ca 0.17 -0.53 -0.20 0.00 -0.39 0.00 0.00 57.03 56.08 1yqa h ASP 208 Cb 0.14 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.94 1yqa h ASP 208 CO -0.02 1.14 -0.71 0.71 -1.61 0.00 0.00 179.24 178.74 1yqa h THR 209 N 0.39 1.31 -3.43 2.25 1.35 -0.50 -3.40 112.91 110.89 1yqa h THR 209 Ca 0.02 -1.97 -0.71 0.00 -0.55 0.00 0.00 66.41 63.20 1yqa h THR 209 Cb 0.99 2.13 -0.33 0.00 -1.73 0.00 0.00 68.15 69.22 1yqa h THR 209 CO 0.09 0.61 -0.47 -0.31 -0.25 0.00 0.00 175.52 175.19 1yqa s TYR 210 N -3.64 3.52 0.46 4.73 1.51 -0.56 -4.76 117.35 118.60 1yqa s TYR 210 Ca -0.11 -2.26 0.17 0.00 -1.01 0.00 0.00 57.07 53.85 1yqa s TYR 210 Cb 0.07 -3.33 1.12 0.00 -0.11 0.00 0.00 41.96 39.71 1yqa s TYR 210 CO 0.88 -0.97 1.98 -1.35 -1.11 0.00 0.00 175.55 174.98 1yqa h PRO 211 N 8.08 0.30 -0.67 -1.71 0.11 -1.78 -1.69 132.00 134.63 1yqa h PRO 211 Ca -0.14 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.88 1yqa h PRO 211 Cb 1.05 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1yqa h PRO 211 CO 0.76 0.20 0.14 -0.84 -0.21 0.00 0.00 178.00 178.04 1yqa h ILE 212 N 0.31 1.26 0.00 4.15 3.07 -1.92 -3.04 117.51 121.34 1yqa h ILE 212 Ca 0.28 -0.99 -0.16 0.00 1.55 0.00 0.00 64.86 65.54 1yqa h ILE 212 Cb 0.69 0.59 -0.02 0.00 -0.27 0.00 0.00 36.82 37.81 1yqa h ILE 212 CO -0.07 0.38 -0.78 1.62 -1.05 0.00 0.00 178.15 178.25 1yqa h VAL 213 N 1.03 1.46 -0.64 0.16 3.04 -1.63 -3.30 116.25 116.36 1yqa h VAL 213 Ca 0.21 -2.76 0.03 0.00 -1.01 0.00 0.00 66.70 63.17 1yqa h VAL 213 Cb 0.40 2.53 -0.04 0.00 -2.01 0.00 0.00 31.29 32.16 1yqa h VAL 213 CO 0.01 0.76 0.39 1.23 -1.01 0.00 0.00 177.57 178.95 1yqa h GLY 214 N 2.69 0.92 -3.83 3.17 0.00 -1.35 -2.44 103.07 102.24 1yqa h GLY 214 Ca -0.01 -0.29 -0.52 0.00 0.00 0.00 0.00 47.33 46.51 1yqa h GLY 214 CO 0.10 0.24 0.67 -1.14 0.00 0.00 0.00 176.54 176.41 1yqa n SER 215 N -4.72 5.17 -4.79 0.19 3.41 -1.22 -4.96 113.62 106.70 1yqa n SER 215 Ca 0.06 -3.52 -0.38 0.00 -0.26 0.00 0.00 58.87 54.78 1yqa n SER 215 Cb 0.09 -0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 63.10 1yqa n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yqa s ALA 216 N -3.13 3.35 0.01 7.33 0.00 -0.92 -5.00 121.76 123.40 1yqa s ALA 216 Ca 0.54 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 1yqa s ALA 216 Cb 0.44 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 20.41 1yqa s ALA 216 CO 0.06 0.26 1.09 0.77 0.00 0.00 0.00 175.76 177.94 1yqa h SER 217 N 3.62 -0.78 -1.21 0.00 0.02 -1.92 -3.13 113.55 110.14 1yqa h SER 217 Ca -0.47 0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 59.96 1yqa h SER 217 Cb 1.20 0.20 -0.20 0.00 0.14 0.00 0.00 62.40 63.74 1yqa h SER 217 CO 0.66 -0.42 0.56 0.59 -1.14 0.00 0.00 176.83 177.07 1yqa n ASN 218 N -5.24 6.76 0.16 3.07 3.02 -1.26 -4.74 115.26 117.02 1yqa n ASN 218 Ca -0.11 -3.36 -0.12 0.00 -0.03 0.00 0.00 54.58 50.96 1yqa n ASN 218 Cb 0.36 -1.17 -0.07 0.00 -0.61 0.00 0.00 39.78 38.29 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1yqa h PHE 219 N 2.82 -1.00 -0.25 3.10 3.57 -1.86 0.27 116.94 123.58 1yqa h PHE 219 Ca 0.43 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.89 1yqa h PHE 219 Cb 0.59 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1yqa h PHE 219 CO 1.34 -0.45 -0.11 0.22 -2.23 0.00 0.00 178.31 177.09 1yqa h ASP 220 N -0.64 0.39 0.44 0.41 3.58 -1.88 0.23 116.42 118.95 1yqa h ASP 220 Ca -0.03 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1yqa h ASP 220 Cb 0.58 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1yqa h ASP 220 CO -0.10 0.54 -0.21 0.22 -2.88 0.00 0.00 179.24 176.81 1yqa h TYR 221 N 0.38 -0.55 -0.32 0.28 3.20 -1.86 0.43 116.97 118.54 1yqa h TYR 221 Ca 0.08 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1yqa h TYR 221 Cb 0.43 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1yqa h TYR 221 CO 0.01 -0.30 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.96 1yqa h LEU 222 N -0.66 0.59 -0.15 2.82 3.38 -0.24 0.11 115.31 121.15 1yqa h LEU 222 Ca -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1yqa h LEU 222 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1yqa h LEU 222 CO 0.10 0.79 0.06 0.15 0.09 0.00 0.00 178.44 179.63 1yqa h PHE 223 N 0.53 0.22 -0.33 1.13 3.57 -0.40 -0.48 116.94 121.18 1yqa h PHE 223 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1yqa h PHE 223 Cb 0.64 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1yqa h PHE 223 CO 0.03 0.28 0.02 -0.97 -2.23 0.00 0.00 178.31 175.44 1yqa h ASN 224 N 0.10 0.46 -0.81 0.41 -1.24 0.13 -1.15 115.58 113.48 1yqa h ASN 224 Ca 0.05 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 1yqa h ASN 224 Cb 0.15 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1yqa h ASN 224 CO -0.00 0.51 0.39 -1.28 -1.29 0.00 0.00 177.43 175.76 1yqa h SER 225 N 0.48 1.06 -0.57 1.15 0.87 -0.27 0.24 113.55 116.53 1yqa h SER 225 Ca 0.11 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1yqa h SER 225 Cb 0.28 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1yqa h SER 225 CO 0.01 0.90 0.16 0.00 -0.53 0.00 0.00 176.83 177.36 1yqa h ALA 226 N 1.26 0.75 -0.37 6.23 0.00 -0.14 -0.74 119.26 126.25 1yqa h ALA 226 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yqa h ALA 226 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yqa h ALA 226 CO -0.03 0.43 0.25 0.82 0.00 0.00 0.00 179.25 180.71 1yqa h ILE 227 N 0.80 1.09 -0.60 0.00 1.08 -0.30 0.29 117.51 119.88 1yqa h ILE 227 Ca 0.18 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1yqa h ILE 227 Cb 0.32 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1yqa h ILE 227 CO -0.00 0.09 0.35 0.50 -0.69 0.00 0.00 178.15 178.40 1yqa h LYS 228 N 0.50 0.81 -0.13 2.37 3.64 -0.30 -2.66 116.57 120.80 1yqa h LYS 228 Ca 0.14 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1yqa h LYS 228 Cb -0.06 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1yqa h LYS 228 CO -0.03 0.57 -0.59 0.87 -2.27 0.00 0.00 179.45 178.00 1yqa h LYS 229 N 0.82 0.62 -0.91 1.90 6.56 -0.25 -3.17 116.57 122.14 1yqa h LYS 229 Ca 0.22 -0.50 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1yqa h LYS 229 Cb -0.02 0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 1yqa h LYS 229 CO -0.04 1.12 0.57 0.00 -2.06 0.00 0.00 179.45 179.04 1yqa h VAL 231 N 1.24 1.30 -0.22 0.00 -1.51 -1.59 0.25 116.25 115.72 1yqa h VAL 231 Ca 0.33 -1.54 -0.15 0.00 -1.23 0.00 0.00 66.70 64.11 1yqa h VAL 231 Cb -0.10 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1yqa h VAL 231 CO -0.07 0.49 -0.47 1.05 -1.23 0.00 0.00 177.57 177.35 1yqa h GLU 232 N 0.45 0.58 0.00 5.19 4.11 -1.48 -2.66 114.58 120.76 1yqa h GLU 232 Ca 0.03 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.07 1yqa h GLU 232 Cb 0.94 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1yqa h GLU 232 CO 0.08 0.92 -0.31 -0.91 0.07 0.00 0.00 179.01 178.86 1yqa h ASN 233 N 0.46 0.00 0.00 3.06 2.35 -0.62 -3.47 115.58 117.36 1yqa h ASN 233 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1yqa h ASN 233 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1yqa h ASN 233 CO 0.09 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 1yqa n GLY 234 N -0.29 0.74 0.10 2.83 0.00 -0.12 -4.97 105.19 103.46 1yqa n GLY 234 Ca -0.01 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 0.07 -5.89 1.61 4.39 -0.86 -3.47 114.58 110.44 1yqa h GLU 235 Ca 0.00 -0.12 -0.51 0.00 0.34 0.00 0.00 59.36 59.07 1yqa h GLU 235 Cb 0.72 0.05 -0.18 0.00 -0.10 0.00 0.00 28.75 29.23 1yqa h GLU 235 CO 0.00 1.06 -0.78 -0.51 -1.16 0.00 0.00 179.01 177.62 1yqa s LEU 236 N -7.93 2.43 -0.10 1.33 1.43 -1.09 -2.62 118.68 112.13 1yqa s LEU 236 Ca -0.22 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1yqa s LEU 236 Cb 0.02 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1yqa s LEU 236 CO 0.68 -0.04 -0.15 0.68 0.23 0.00 0.00 176.35 177.75 1yqa s VAL 237 N -2.00 2.89 -0.45 -1.59 -7.23 0.14 -3.87 120.40 108.28 1yqa s VAL 237 Ca 0.14 -0.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1yqa s VAL 237 Cb -0.06 -2.18 0.12 0.00 0.56 0.00 0.00 36.38 34.83 1yqa s VAL 237 CO 0.06 0.55 0.18 -1.10 -0.31 0.00 0.00 175.10 174.48 1yqa s GLN 238 N 0.08 1.69 0.25 4.82 -0.21 -1.26 -0.57 119.66 124.46 1yqa s GLN 238 Ca -0.07 -2.26 -0.04 0.00 0.02 0.00 0.00 55.36 53.02 1yqa s GLN 238 Cb -0.15 -3.12 0.28 0.00 1.00 0.00 0.00 33.01 31.02 1yqa s GLN 238 CO 0.05 -1.06 1.78 -1.00 -2.12 0.00 0.00 175.29 172.94 1yqa h PRO 239 N 6.94 0.95 -0.97 2.91 0.13 -1.98 -2.82 132.00 137.17 1yqa h PRO 239 Ca -0.06 -0.21 -0.54 0.00 -0.87 0.00 0.00 66.00 64.31 1yqa h PRO 239 Cb 0.94 -0.13 -0.30 0.00 0.13 0.00 0.00 31.00 31.64 1yqa h PRO 239 CO 0.61 0.86 0.66 1.63 -0.23 0.00 0.00 178.00 181.52 1yqa n LYS 240 N -4.25 2.35 -0.37 0.86 5.02 -1.26 -5.05 118.16 115.46 1yqa n LYS 240 Ca 0.04 -3.10 0.05 0.00 -2.02 0.00 0.00 58.31 53.29 1yqa n LYS 240 Cb 0.25 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.09 -1.84 0.28 0.72 0.00 -1.07 -3.72 105.19 98.48 1yqa n GLY 241 Ca 0.59 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.90 -1.85 1.61 0.11 -1.95 -2.81 132.00 128.01 1yqa h PRO 242 Ca 0.01 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.88 1yqa h PRO 242 Cb 0.34 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 1yqa h PRO 242 CO 0.00 0.60 0.11 0.43 -0.21 0.00 0.00 178.00 178.93 1yqa n SER 243 N -4.62 5.81 0.00 -2.05 7.64 -1.26 -4.63 113.62 114.52 1yqa n SER 243 Ca 0.07 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1yqa n SER 243 Cb 0.06 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 1.23 4.91 3.68 0.23 0.00 -1.06 -4.92 105.19 109.25 1yqa n GLY 244 Ca 0.22 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 0.62 4.83 -0.32 -0.61 2.07 -1.26 -1.80 121.20 124.72 1yqa s ILE 245 Ca 0.00 1.82 -0.17 0.00 -1.41 0.00 0.00 60.65 60.89 1yqa s ILE 245 Cb 0.00 -4.22 -0.01 0.00 0.13 0.00 0.00 42.46 38.36 1yqa s ILE 245 CO 0.00 -0.00 0.47 -0.63 -1.91 0.00 0.00 174.94 172.87 1yqa s ILE 246 N 2.20 5.07 -0.12 2.00 1.01 0.12 -4.13 121.20 127.35 1yqa s ILE 246 Ca 0.42 0.42 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 1yqa s ILE 246 Cb -0.17 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1yqa s ILE 246 CO 0.14 -0.10 -0.05 -0.54 0.00 0.00 0.00 174.94 174.39 1yqa s LYS 247 N 2.29 3.34 -0.21 2.79 1.02 0.27 -0.89 119.74 128.34 1yqa s LYS 247 Ca 0.18 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 1yqa s LYS 247 Cb -0.16 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1yqa s LYS 247 CO 0.12 0.40 1.68 -1.17 -0.92 0.00 0.00 175.35 175.46 1yqa s LEU 248 N -0.09 3.87 -0.99 3.17 2.96 -1.25 0.25 118.68 126.60 1yqa s LEU 248 Ca 0.02 1.66 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 1yqa s LEU 248 Cb -0.13 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 1yqa s LEU 248 CO 0.03 -1.32 1.95 0.21 -1.32 0.00 0.00 176.35 175.90 1yqa s ASN 249 N 4.58 5.07 -0.27 3.68 2.47 -1.08 -4.78 114.94 124.61 1yqa s ASN 249 Ca 0.74 -0.98 -0.02 0.00 0.42 0.00 0.00 52.86 53.02 1yqa s ASN 249 Cb -0.26 -2.57 0.13 0.00 -1.45 0.00 0.00 41.25 37.10 1yqa s ASN 249 CO 0.30 -2.89 2.22 0.29 -3.72 0.00 0.00 177.10 173.31 1yqa n LYS 250 N 8.67 1.78 0.24 0.43 5.02 -1.26 -4.33 118.16 128.71 1yqa n LYS 250 Ca 0.42 -1.41 0.12 0.00 -2.02 0.00 0.00 58.31 55.42 1yqa n LYS 250 Cb 0.47 -1.62 0.54 0.00 -0.02 0.00 0.00 35.03 34.40 1yqa n LYS 250 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1yqa h LYS 251 N 1.71 0.00 -1.40 1.97 3.64 -1.96 -3.47 116.57 117.07 1yqa h LYS 251 Ca 0.26 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.40 1yqa h LYS 251 Cb 0.93 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1yqa h LYS 251 CO 0.63 0.16 -0.28 1.17 -2.27 0.00 0.00 179.45 178.86 1yqa n LYS 252 N -3.34 -0.91 -3.31 1.90 4.81 -1.26 -2.70 118.16 113.35 1yqa n LYS 252 Ca 0.00 0.66 -0.24 0.00 -0.87 0.00 0.00 58.31 57.86 1yqa n LYS 252 Cb 0.38 -4.78 0.03 0.00 0.02 0.00 0.00 35.03 30.68 1yqa n LYS 252 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1yqa n VAL 253 N -3.66 -1.80 -1.28 3.15 0.31 -1.26 -4.55 118.33 109.23 1yqa n VAL 253 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1yqa n VAL 253 Cb 0.55 -2.94 0.00 0.00 -0.91 0.00 0.00 33.84 30.54 1yqa n VAL 253 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1yqa n LYS 254 N -4.13 -3.47 0.00 5.55 2.85 -1.10 -5.03 118.16 112.83 1yqa n LYS 254 Ca -0.05 2.66 0.00 0.00 -1.05 0.00 0.00 58.31 59.87 1yqa n LYS 254 Cb 0.58 -3.21 0.00 0.00 -0.65 0.00 0.00 35.03 31.75 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 -1.92 0.00 -2.57 -5.58 7.99 -1.26 -4.72 117.00 108.94 1yqa n LEU 255 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.81 1yqa n LEU 255 Cb 0.26 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.61 1yqa n LEU 255 CO 0.00 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.68 1yqa n SER 256 N 0.00 -5.42 0.00 -1.43 7.64 -1.26 -5.19 113.62 107.96 1yqa n SER 256 Ca 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1yqa n SER 256 Cb 0.00 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 1yqa n SER 256 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10