#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5j s LYS 186 N 0.00 0.55 0.22 1.57 1.02 -1.26 -5.15 119.74 116.68 2h5j s LYS 186 Ca 0.00 -0.68 0.11 0.00 0.02 0.00 0.00 55.97 55.42 2h5j s LYS 186 Cb 0.00 -0.37 -0.05 0.00 -0.52 0.00 0.00 37.83 36.90 2h5j s LYS 186 CO 0.00 0.07 -0.22 0.96 -0.92 0.00 0.00 175.35 175.25 2h5j s ILE 187 N -1.16 2.30 0.51 2.17 -4.36 -1.26 -5.12 121.20 114.28 2h5j s ILE 187 Ca -0.07 -2.14 -0.22 0.00 -0.26 0.00 0.00 60.65 57.96 2h5j s ILE 187 Cb -0.09 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.43 2h5j s ILE 187 CO 0.00 -0.24 1.30 -2.84 0.24 0.00 0.00 174.94 173.41 2h5j s PRO 188 N -2.97 3.38 0.00 0.37 0.02 -1.26 -4.88 135.00 129.66 2h5j s PRO 188 Ca 0.23 2.11 0.20 0.00 0.02 0.00 0.00 61.00 63.56 2h5j s PRO 188 Cb -0.07 -2.34 0.91 0.00 0.02 0.00 0.00 34.50 33.02 2h5j s PRO 188 CO 0.11 -0.96 1.63 1.33 -0.33 0.00 0.00 177.00 178.78 2h5j n VAL 189 N -0.78 0.54 0.85 3.83 0.24 -1.26 -2.45 118.33 119.30 2h5j n VAL 189 Ca 0.09 0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.62 2h5j n VAL 189 Cb 0.46 -0.80 0.04 0.00 -1.47 0.00 0.00 33.84 32.06 2h5j n VAL 189 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2h5j n GLU 190 N -1.41 1.62 -1.35 7.34 -0.58 -1.26 -4.97 120.64 120.02 2h5j n GLU 190 Ca 0.07 -1.26 -0.30 0.00 -0.42 0.00 0.00 57.16 55.24 2h5j n GLU 190 Cb 0.20 -1.38 0.10 0.00 -0.57 0.00 0.00 31.44 29.79 2h5j n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h5j s ALA 191 N -1.97 2.15 -1.44 0.62 0.00 -1.03 -4.02 121.76 116.08 2h5j s ALA 191 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2h5j s ALA 191 Cb 0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2h5j s ALA 191 CO 0.38 -1.81 0.00 -0.25 0.00 0.00 0.00 175.76 174.09 2h5j n ASP 192 N -3.53 -4.70 -4.88 0.00 8.00 0.74 -4.98 116.55 107.21 2h5j n ASP 192 Ca 0.08 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.38 2h5j n ASP 192 Cb 0.54 -3.72 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 2h5j n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2h5j s PHE 193 N -2.68 3.53 -0.08 1.24 0.08 -1.25 -4.82 117.98 114.00 2h5j s PHE 193 Ca 0.00 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.48 2h5j s PHE 193 Cb 0.00 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2h5j s PHE 193 CO 0.00 0.67 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.46 2h5j s LEU 194 N -1.54 1.77 -0.34 -0.37 0.20 -1.26 -0.64 118.68 116.49 2h5j s LEU 194 Ca 0.22 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 2h5j s LEU 194 Cb -0.12 -0.99 0.06 0.00 -0.43 0.00 0.00 46.19 44.71 2h5j s LEU 194 CO 0.12 0.07 0.09 -0.31 -0.29 0.00 0.00 176.35 176.03 2h5j s TYR 195 N 0.58 3.34 -0.64 5.38 1.51 0.92 -5.01 117.35 123.43 2h5j s TYR 195 Ca -0.16 -1.87 -0.16 0.00 -1.01 0.00 0.00 57.07 53.86 2h5j s TYR 195 Cb -0.16 -2.45 0.15 0.00 -0.11 0.00 0.00 41.96 39.38 2h5j s TYR 195 CO 0.05 -0.83 0.65 0.00 -1.11 0.00 0.00 175.55 174.31 2h5j s ALA 196 N 1.27 3.68 0.23 3.71 0.00 -1.26 -1.05 121.76 128.34 2h5j s ALA 196 Ca -0.01 -2.67 -0.23 0.00 0.00 0.00 0.00 51.96 49.06 2h5j s ALA 196 Cb -0.21 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 2h5j s ALA 196 CO -0.01 -2.22 0.79 0.71 0.00 0.00 0.00 175.76 175.04 2h5j s TYR 197 N 1.57 3.73 -0.04 0.00 2.02 -0.53 -4.97 117.35 119.13 2h5j s TYR 197 Ca 0.10 1.54 0.29 0.00 -0.37 0.00 0.00 57.07 58.63 2h5j s TYR 197 Cb -0.22 -2.73 0.98 0.00 -0.40 0.00 0.00 41.96 39.58 2h5j s TYR 197 CO 0.00 0.35 1.84 0.66 -1.57 0.00 0.00 175.55 176.84 2h5j h SER 198 N 3.60 0.00 -5.23 2.29 4.64 -1.93 -0.48 113.55 116.43 2h5j h SER 198 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 2h5j h SER 198 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 2h5j h SER 198 CO 0.65 0.06 -0.26 0.28 -0.87 0.00 0.00 176.83 176.69 2h5j s THR 199 N -3.52 0.06 0.62 2.95 -1.32 -1.26 -3.50 115.64 109.67 2h5j s THR 199 Ca 0.03 -1.29 -0.16 0.00 -1.21 0.00 0.00 61.69 59.06 2h5j s THR 199 Cb 0.08 -1.80 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2h5j s THR 199 CO 0.60 -0.27 1.10 0.00 -2.21 0.00 0.00 174.62 173.84 2h5j s ALA 200 N -3.95 2.59 0.25 11.08 0.00 -0.97 -4.14 121.76 126.62 2h5j s ALA 200 Ca 0.16 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 2h5j s ALA 200 Cb 0.03 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 2h5j s ALA 200 CO -0.00 -1.04 1.06 -2.30 0.00 0.00 0.00 175.76 173.47 2h5j n PRO 201 N -2.08 1.31 -0.29 0.00 -0.02 -1.26 -1.58 135.00 131.07 2h5j n PRO 201 Ca 0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2h5j n PRO 201 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2h5j n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h5j n GLY 202 N 1.50 2.35 3.92 -1.23 0.00 -1.26 -5.01 105.19 105.46 2h5j n GLY 202 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2h5j n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h5j s TYR 203 N -3.27 3.33 0.71 1.61 1.51 -0.62 -5.11 117.35 115.52 2h5j s TYR 203 Ca 0.00 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 2h5j s TYR 203 Cb 0.00 -1.51 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2h5j s TYR 203 CO 0.00 0.47 1.20 0.71 -1.11 0.00 0.00 175.55 176.82 2h5j s TYR 204 N -2.02 2.12 -0.01 2.71 2.02 -1.26 -4.85 117.35 116.06 2h5j s TYR 204 Ca 0.34 1.59 0.05 0.00 -0.37 0.00 0.00 57.07 58.68 2h5j s TYR 204 Cb -0.09 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 2h5j s TYR 204 CO 0.27 -2.52 -0.17 0.45 -1.57 0.00 0.00 175.55 172.01 2h5j s SER 205 N -2.03 3.80 -0.13 2.29 0.15 -1.26 -4.84 113.70 111.68 2h5j s SER 205 Ca 0.74 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 57.00 2h5j s SER 205 Cb -0.29 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 2h5j s SER 205 CO 0.44 0.31 0.14 0.26 1.20 0.00 0.00 173.24 175.59 2h5j s TRP 206 N -0.78 3.58 -0.09 3.44 0.52 -1.26 -5.08 118.94 119.27 2h5j s TRP 206 Ca 0.12 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.76 2h5j s TRP 206 Cb -0.10 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2h5j s TRP 206 CO 0.02 0.69 -0.11 0.50 0.02 0.00 0.00 176.95 178.07 2h5j s ARG 207 N -0.89 1.68 -0.20 4.98 3.52 -1.26 -2.31 118.95 124.47 2h5j s ARG 207 Ca 0.14 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.21 2h5j s ARG 207 Cb -0.12 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.71 2h5j s ARG 207 CO 0.03 -0.10 0.47 1.21 -0.81 0.00 0.00 175.30 176.10 2h5j s ASN 208 N 1.11 6.51 0.55 -2.12 3.84 0.52 -4.89 114.94 120.46 2h5j s ASN 208 Ca -0.06 0.61 0.39 0.00 0.21 0.00 0.00 52.86 54.01 2h5j s ASN 208 Cb -0.14 -2.27 1.58 0.00 -0.55 0.00 0.00 41.25 39.87 2h5j s ASN 208 CO -0.02 -0.13 1.75 0.28 -2.79 0.00 0.00 177.10 176.19 2h5j h SER 209 N 7.41 0.00 0.00 -4.21 0.02 -2.00 0.51 113.55 115.27 2h5j h SER 209 Ca -0.35 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.32 2h5j h SER 209 Cb 1.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 2h5j h SER 209 CO 0.73 0.00 -2.03 1.17 -1.14 0.00 0.00 176.83 175.56 2h5j n LYS 210 N -4.10 0.44 0.00 3.45 4.81 -1.26 -4.64 118.16 116.86 2h5j n LYS 210 Ca 0.29 0.12 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 2h5j n LYS 210 Cb 1.39 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 35.02 2h5j n LYS 210 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h5j n ASP 211 N -3.17 0.70 0.00 3.14 8.00 -1.13 -5.09 116.55 119.00 2h5j n ASP 211 Ca -0.33 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2h5j n ASP 211 Cb 0.83 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 43.07 2h5j n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h5j n GLY 212 N 1.43 0.53 3.81 0.44 0.00 0.18 -4.86 105.19 106.71 2h5j n GLY 212 Ca 0.02 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 2h5j n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h5j s SER 213 N 0.00 6.31 0.19 1.61 1.04 -1.26 -0.35 113.70 121.24 2h5j s SER 213 Ca 0.00 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 2h5j s SER 213 Cb 0.00 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.77 2h5j s SER 213 CO 0.00 -0.80 1.78 -0.50 0.98 0.00 0.00 173.24 174.70 2h5j h TRP 214 N 1.18 0.51 -0.10 5.02 6.55 -1.83 -1.60 115.95 125.68 2h5j h TRP 214 Ca -0.48 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.35 2h5j h TRP 214 Cb 1.21 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 29.36 2h5j h TRP 214 CO 0.59 0.23 -0.06 0.35 -1.05 0.00 0.00 178.44 178.50 2h5j h PHE 215 N 0.53 0.26 -0.34 0.49 3.57 -1.89 -0.25 116.94 119.30 2h5j h PHE 215 Ca 0.26 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2h5j h PHE 215 Cb 0.20 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2h5j h PHE 215 CO -0.11 0.59 0.02 0.82 -2.23 0.00 0.00 178.31 177.40 2h5j h ILE 216 N -0.15 1.25 -0.54 1.41 1.08 -1.93 0.64 117.51 119.28 2h5j h ILE 216 Ca 0.02 -0.93 0.11 0.00 -0.39 0.00 0.00 64.86 63.66 2h5j h ILE 216 Cb 0.53 1.19 -0.11 0.00 -3.07 0.00 0.00 36.82 35.36 2h5j h ILE 216 CO 0.02 0.31 -0.23 1.56 -0.69 0.00 0.00 178.15 179.12 2h5j h GLN 217 N 0.41 -0.10 -0.05 2.37 4.20 -1.30 0.19 115.11 120.83 2h5j h GLN 217 Ca 0.10 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2h5j h GLN 217 Cb 0.43 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2h5j h GLN 217 CO 0.01 -0.06 -0.74 0.77 -0.67 0.00 0.00 178.83 178.14 2h5j h SER 218 N -0.10 0.38 -0.54 1.46 0.02 -0.31 -2.98 113.55 111.49 2h5j h SER 218 Ca 0.25 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2h5j h SER 218 Cb 0.49 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2h5j h SER 218 CO -0.61 1.00 0.27 0.25 -1.14 0.00 0.00 176.83 176.60 2h5j h LEU 219 N 0.21 0.69 -0.81 5.07 5.85 0.15 -1.96 115.31 124.51 2h5j h LEU 219 Ca -0.03 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 2h5j h LEU 219 Cb 1.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2h5j h LEU 219 CO 0.12 0.61 0.13 0.00 -0.34 0.00 0.00 178.44 178.96 2h5j h ALA 221 N 1.17 0.79 -0.31 0.00 0.00 -1.35 0.25 119.26 119.80 2h5j h ALA 221 Ca 0.20 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2h5j h ALA 221 Cb 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2h5j h ALA 221 CO 0.01 0.52 -0.33 0.52 0.00 0.00 0.00 179.25 179.96 2h5j h MET 222 N 0.88 0.77 -0.17 0.00 2.07 -1.17 0.12 114.93 117.43 2h5j h MET 222 Ca 0.18 -0.42 0.02 0.00 -2.07 0.00 0.00 59.70 57.41 2h5j h MET 222 Cb 0.39 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 2h5j h MET 222 CO 0.01 1.04 0.05 -0.07 1.07 0.00 0.00 176.91 179.01 2h5j h LEU 223 N 0.54 0.05 -0.51 1.22 3.38 -1.16 0.68 115.31 119.50 2h5j h LEU 223 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2h5j h LEU 223 Cb 0.91 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2h5j h LEU 223 CO 0.08 0.05 0.18 0.11 0.09 0.00 0.00 178.44 178.96 2h5j h LYS 224 N 0.13 0.35 -0.01 1.13 6.56 -0.33 0.15 116.57 124.55 2h5j h LYS 224 Ca 0.07 -0.02 -0.22 0.00 -1.06 0.00 0.00 60.65 59.42 2h5j h LYS 224 Cb 0.05 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2h5j h LYS 224 CO -0.08 0.23 -0.91 0.37 -2.06 0.00 0.00 179.45 177.01 2h5j h GLN 225 N 0.36 0.39 0.00 3.15 4.15 -0.02 -3.40 115.11 119.74 2h5j h GLN 225 Ca 0.25 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2h5j h GLN 225 Cb 0.27 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2h5j h GLN 225 CO -0.25 1.07 -0.06 0.66 -1.93 0.00 0.00 178.83 178.31 2h5j n TYR 226 N -3.75 0.00 0.20 3.99 4.01 0.23 -4.71 117.16 117.14 2h5j n TYR 226 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.81 2h5j n TYR 226 Cb 0.82 0.00 0.67 0.00 -0.31 0.00 0.00 39.34 40.52 2h5j n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h5j h ALA 227 N 0.00 1.05 -0.01 -0.72 0.00 -1.05 0.44 119.26 118.96 2h5j h ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h5j h ALA 227 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2h5j h ALA 227 CO 0.00 -0.05 -0.06 -0.40 0.00 0.00 0.00 179.25 178.74 2h5j n ASP 228 N -2.39 1.33 0.00 0.00 5.75 -1.26 -4.14 116.55 115.84 2h5j n ASP 228 Ca -0.02 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 2h5j n ASP 228 Cb 0.10 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2h5j n ASP 228 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2h5j n LYS 229 N -0.07 0.00 -3.62 0.11 3.00 0.14 -4.98 118.16 112.74 2h5j n LYS 229 Ca 0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.16 2h5j n LYS 229 Cb 0.35 -0.68 -0.05 0.00 0.00 0.00 0.00 35.03 34.65 2h5j n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h5j s LEU 230 N -3.99 4.27 0.64 3.14 1.43 -0.23 -5.07 118.68 118.87 2h5j s LEU 230 Ca 0.00 0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 53.60 2h5j s LEU 230 Cb 0.00 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2h5j s LEU 230 CO 0.00 0.06 1.17 -0.70 0.23 0.00 0.00 176.35 177.11 2h5j s GLU 231 N -2.52 2.77 0.37 1.70 -6.30 -1.26 -4.67 118.70 108.79 2h5j s GLU 231 Ca 0.40 1.67 0.06 0.00 -2.50 0.00 0.00 54.97 54.60 2h5j s GLU 231 Cb -0.12 -1.92 0.73 0.00 0.00 0.00 0.00 34.13 32.82 2h5j s GLU 231 CO 0.23 -1.33 1.96 0.35 0.02 0.00 0.00 175.26 176.48 2h5j h PHE 232 N 0.42 0.50 -0.23 5.30 3.57 -0.85 -2.15 116.94 123.50 2h5j h PHE 232 Ca -0.49 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.87 2h5j h PHE 232 Cb 1.28 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2h5j h PHE 232 CO 0.49 0.43 -0.34 0.52 -2.23 0.00 0.00 178.31 177.18 2h5j h MET 233 N 0.49 0.49 -0.73 1.11 2.86 -1.92 -1.20 114.93 116.03 2h5j h MET 233 Ca 0.12 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2h5j h MET 233 Cb 0.17 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2h5j h MET 233 CO -0.01 0.77 0.25 1.25 1.06 0.00 0.00 176.91 180.24 2h5j h HIS 234 N 0.42 1.16 -0.33 -0.22 -0.00 -1.81 -0.81 115.15 113.55 2h5j h HIS 234 Ca 0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 2h5j h HIS 234 Cb 0.80 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2h5j h HIS 234 CO 0.03 0.90 0.11 0.82 -0.00 0.00 0.00 177.93 179.79 2h5j h ILE 235 N 1.07 1.20 0.00 6.26 2.04 -1.08 -1.92 117.51 125.08 2h5j h ILE 235 Ca 0.24 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2h5j h ILE 235 Cb 0.27 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2h5j h ILE 235 CO -0.01 0.22 -0.16 -0.07 0.00 0.00 0.00 178.15 178.12 2h5j h LEU 236 N 0.38 0.00 -0.19 1.44 3.38 -0.98 -0.09 115.31 119.26 2h5j h LEU 236 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2h5j h LEU 236 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2h5j h LEU 236 CO -0.00 0.16 -0.13 0.74 0.09 0.00 0.00 178.44 179.30 2h5j h THR 237 N 0.00 1.32 -0.38 0.22 2.02 -0.83 0.11 112.91 115.37 2h5j h THR 237 Ca -0.00 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 65.89 2h5j h THR 237 Cb 0.33 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2h5j h THR 237 CO 0.02 0.38 0.05 0.03 0.37 0.00 0.00 175.52 176.37 2h5j h ARG 238 N 0.10 0.57 -0.63 6.66 3.08 -0.87 0.02 114.38 123.31 2h5j h ARG 238 Ca 0.04 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2h5j h ARG 238 Cb 0.65 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2h5j h ARG 238 CO 0.04 0.55 0.31 0.28 -1.07 0.00 0.00 179.97 180.08 2h5j h VAL 239 N 0.55 1.21 -0.79 2.04 2.07 -0.79 -0.08 116.25 120.47 2h5j h VAL 239 Ca 0.12 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.12 2h5j h VAL 239 Cb 0.27 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2h5j h VAL 239 CO 0.00 0.24 0.48 0.78 0.02 0.00 0.00 177.57 179.09 2h5j h ASN 240 N 0.86 0.74 -0.48 0.57 4.21 0.77 -1.27 115.58 120.98 2h5j h ASN 240 Ca 0.22 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.63 2h5j h ASN 240 Cb 0.10 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 2h5j h ASN 240 CO -0.03 0.47 -0.18 -0.09 -1.29 0.00 0.00 177.43 176.31 2h5j h ARG 241 N 0.87 0.97 -0.02 0.81 2.43 -0.56 -1.65 114.38 117.23 2h5j h ARG 241 Ca 0.35 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2h5j h ARG 241 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2h5j h ARG 241 CO -0.18 1.07 0.01 -0.22 -1.51 0.00 0.00 179.97 179.14 2h5j h LYS 242 N 0.83 0.03 -0.79 0.20 3.64 -0.61 -0.10 116.57 119.76 2h5j h LYS 242 Ca 0.11 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2h5j h LYS 242 Cb 0.75 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 2h5j h LYS 242 CO 0.06 0.16 0.44 0.28 -2.27 0.00 0.00 179.45 178.12 2h5j h VAL 243 N -0.11 1.24 -0.16 2.00 2.07 -1.20 -0.91 116.25 119.17 2h5j h VAL 243 Ca 0.01 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 2h5j h VAL 243 Cb 0.14 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2h5j h VAL 243 CO -0.00 0.26 -0.47 0.00 0.02 0.00 0.00 177.57 177.39 2h5j h ALA 244 N 1.23 0.90 0.00 1.67 0.00 -1.00 -3.23 119.26 118.83 2h5j h ALA 244 Ca 0.28 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 2h5j h ALA 244 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2h5j h ALA 244 CO -0.04 0.65 -2.31 0.25 0.00 0.00 0.00 179.25 177.79 2h5j n THR 245 N -3.99 1.38 0.95 0.00 -2.24 -0.08 -4.58 114.28 105.72 2h5j n THR 245 Ca -0.02 -0.85 0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2h5j n THR 245 Cb 0.54 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 2h5j n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h5j n GLU 246 N -2.77 1.25 -4.42 -0.78 1.02 -0.36 -4.92 120.64 109.66 2h5j n GLU 246 Ca -0.31 -0.92 -0.28 0.00 -0.02 0.00 0.00 57.16 55.63 2h5j n GLU 246 Cb 1.14 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.98 2h5j n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2h5j s PHE 247 N -2.41 2.22 -0.27 -0.32 0.08 -1.22 -5.06 117.98 111.01 2h5j s PHE 247 Ca 0.17 -0.39 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 2h5j s PHE 247 Cb 0.17 -1.22 0.08 0.00 -0.57 0.00 0.00 43.02 41.48 2h5j s PHE 247 CO 0.56 0.30 0.73 -2.00 -0.10 0.00 0.00 175.22 174.70 2h5j s GLU 248 N -1.96 0.79 0.56 0.44 2.12 -1.26 -4.76 118.70 114.62 2h5j s GLU 248 Ca 0.13 1.04 -0.17 0.00 0.36 0.00 0.00 54.97 56.33 2h5j s GLU 248 Cb -0.10 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 2h5j s GLU 248 CO 0.05 -0.11 1.05 -1.54 -0.54 0.00 0.00 175.26 174.18 2h5j s SER 249 N 0.72 5.96 -0.11 -1.70 1.04 0.99 -4.85 113.70 115.74 2h5j s SER 249 Ca -0.03 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.29 2h5j s SER 249 Cb -0.05 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 2h5j s SER 249 CO -0.05 -1.05 -0.22 0.12 0.98 0.00 0.00 173.24 173.03 2h5j s PHE 250 N -2.29 2.62 -0.06 5.02 2.19 -1.26 -1.39 117.98 122.82 2h5j s PHE 250 Ca 0.65 -1.04 -0.15 0.00 0.33 0.00 0.00 56.93 56.72 2h5j s PHE 250 Cb -0.16 -1.76 0.03 0.00 -1.31 0.00 0.00 43.02 39.82 2h5j s PHE 250 CO 0.31 -0.43 0.34 0.45 1.83 0.00 0.00 175.22 177.73 2h5j s SER 251 N 0.45 -0.27 0.40 6.13 0.15 -1.26 -4.94 113.70 114.35 2h5j s SER 251 Ca -0.15 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.08 2h5j s SER 251 Cb -0.17 0.47 0.56 0.00 -1.71 0.00 0.00 66.02 65.17 2h5j s SER 251 CO 0.06 -0.34 1.69 -0.26 1.20 0.00 0.00 173.24 175.59 2h5j h PHE 252 N 4.42 0.00 -3.15 3.44 0.04 -2.00 -3.41 116.94 116.28 2h5j h PHE 252 Ca -0.28 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.89 2h5j h PHE 252 Cb 1.18 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.22 2h5j h PHE 252 CO 0.48 0.00 0.66 0.34 -0.60 0.00 0.00 178.31 179.18 2h5j s ASP 253 N -5.75 6.35 0.55 2.17 -1.08 -1.26 -4.94 116.67 112.71 2h5j s ASP 253 Ca 0.07 -0.29 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 2h5j s ASP 253 Cb 0.07 -2.46 1.50 0.00 -1.46 0.00 0.00 42.92 40.57 2h5j s ASP 253 CO 0.63 -1.30 2.14 0.00 0.52 0.00 0.00 175.17 177.16 2h5j h ALA 254 N 9.38 1.93 -0.68 3.66 0.00 -1.95 -0.22 119.26 131.39 2h5j h ALA 254 Ca -0.26 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.79 2h5j h ALA 254 Cb 1.07 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 2h5j h ALA 254 CO 1.12 -0.17 0.01 1.15 0.00 0.00 0.00 179.25 181.36 2h5j h THR 255 N 0.00 0.43 -0.61 0.00 2.02 -1.94 -2.15 112.91 110.66 2h5j h THR 255 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2h5j h THR 255 Cb 0.26 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2h5j h THR 255 CO -0.00 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.40 2h5j n PHE 256 N -5.30 0.81 -3.13 3.16 3.01 -0.15 -4.96 117.46 110.89 2h5j n PHE 256 Ca 0.11 -0.40 -0.34 0.00 1.01 0.00 0.00 57.45 57.83 2h5j n PHE 256 Cb 0.41 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 2h5j n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2h5j s HIS 257 N -1.19 3.47 -1.65 1.38 2.46 -0.81 -4.15 115.29 114.80 2h5j s HIS 257 Ca 0.45 1.27 0.00 0.00 0.47 0.00 0.00 55.06 57.25 2h5j s HIS 257 Cb 0.24 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 2h5j s HIS 257 CO 0.32 0.19 0.00 0.00 -2.47 0.00 0.00 174.74 172.78 2h5j n ALA 258 N 0.04 -0.46 -2.23 1.58 0.00 -0.49 -4.95 120.51 114.00 2h5j n ALA 258 Ca 0.01 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 2h5j n ALA 258 Cb 0.52 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 2h5j n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2h5j s LYS 259 N -4.51 3.70 0.42 0.00 -0.14 -1.26 -4.67 119.74 113.29 2h5j s LYS 259 Ca 0.00 0.36 0.06 0.00 -1.36 0.00 0.00 55.97 55.03 2h5j s LYS 259 Cb 0.00 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.68 2h5j s LYS 259 CO 0.00 -0.06 0.01 0.15 -0.76 0.00 0.00 175.35 174.69 2h5j s LYS 260 N -4.06 1.97 -0.13 1.68 -0.14 -1.26 -0.01 119.74 117.79 2h5j s LYS 260 Ca 0.50 -2.14 -0.10 0.00 -1.36 0.00 0.00 55.97 52.86 2h5j s LYS 260 Cb -0.10 -1.56 0.04 0.00 -1.68 0.00 0.00 37.83 34.52 2h5j s LYS 260 CO 0.35 -0.11 0.34 -1.14 -0.76 0.00 0.00 175.35 174.03 2h5j s GLN 261 N -3.75 0.37 -0.06 1.68 0.74 -1.26 -5.01 119.66 112.37 2h5j s GLN 261 Ca 0.31 0.53 0.03 0.00 0.05 0.00 0.00 55.36 56.28 2h5j s GLN 261 Cb 0.09 0.11 0.01 0.00 1.10 0.00 0.00 33.01 34.32 2h5j s GLN 261 CO 0.16 -0.08 -0.15 -1.50 -0.55 0.00 0.00 175.29 173.17 2h5j s ILE 262 N 0.53 1.32 1.11 -2.34 1.10 -1.26 -3.80 121.20 117.85 2h5j s ILE 262 Ca -0.03 -0.61 -0.18 0.00 -0.51 0.00 0.00 60.65 59.32 2h5j s ILE 262 Cb -0.04 -1.17 0.26 0.00 0.15 0.00 0.00 42.46 41.66 2h5j s ILE 262 CO -0.03 0.39 1.24 -2.84 -2.11 0.00 0.00 174.94 171.59 2h5j s PRO 263 N 0.40 -0.50 -0.23 3.50 0.02 -1.23 -2.30 135.00 134.67 2h5j s PRO 263 Ca -0.11 -0.35 -0.03 0.00 0.02 0.00 0.00 61.00 60.53 2h5j s PRO 263 Cb -0.14 -1.71 0.11 0.00 0.02 0.00 0.00 34.50 32.78 2h5j s PRO 263 CO 0.04 -3.18 0.24 0.00 -0.33 0.00 0.00 177.00 173.76 2h5j s ILE 265 N 2.33 4.77 -0.27 0.00 1.01 -1.26 -1.45 121.20 126.31 2h5j s ILE 265 Ca 0.08 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.47 2h5j s ILE 265 Cb -0.15 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.18 2h5j s ILE 265 CO -0.19 -0.13 -0.08 -0.69 0.00 0.00 0.00 174.94 173.84 2h5j s VAL 266 N 3.01 2.31 -0.16 2.92 1.01 -0.22 -5.01 120.40 124.25 2h5j s VAL 266 Ca 0.38 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 2h5j s VAL 266 Cb -0.15 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2h5j s VAL 266 CO 0.07 -0.09 -0.13 -0.55 0.00 0.00 0.00 175.10 174.40 2h5j s SER 267 N 1.12 3.78 -0.21 3.32 0.15 -1.26 -0.05 113.70 120.54 2h5j s SER 267 Ca -0.07 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.29 2h5j s SER 267 Cb -0.20 -1.59 0.57 0.00 -1.71 0.00 0.00 66.02 63.09 2h5j s SER 267 CO -0.05 0.08 1.49 0.23 1.20 0.00 0.00 173.24 176.19 2h5j n MET 268 N 4.12 2.99 -1.95 5.44 2.81 0.18 -5.03 117.12 125.69 2h5j n MET 268 Ca -0.19 -2.93 -0.33 0.00 -1.81 0.00 0.00 57.70 52.44 2h5j n MET 268 Cb 0.52 -1.91 0.02 0.00 -0.71 0.00 0.00 33.22 31.14 2h5j n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2h5j s LEU 269 N -2.90 3.47 0.00 4.03 1.43 -1.15 -0.19 118.68 123.38 2h5j s LEU 269 Ca 0.45 1.92 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 2h5j s LEU 269 Cb 0.36 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 42.05 2h5j s LEU 269 CO 0.09 -1.36 0.48 0.35 0.23 0.00 0.00 176.35 176.14 2h5j n THR 270 N -2.13 0.00 -4.09 5.49 -2.24 -1.26 -4.82 114.28 105.24 2h5j n THR 270 Ca 0.10 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2h5j n THR 270 Cb 0.52 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 2h5j n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2h5j s LYS 271 N -0.78 1.39 0.27 -0.78 1.02 -1.26 -5.14 119.74 114.45 2h5j s LYS 271 Ca 0.04 -1.42 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 2h5j s LYS 271 Cb 0.04 0.38 -0.10 0.00 -0.52 0.00 0.00 37.83 37.63 2h5j s LYS 271 CO 0.11 -0.53 1.25 -1.21 -0.92 0.00 0.00 175.35 174.05 2h5j s GLU 272 N -4.08 4.44 -0.31 1.68 0.41 -1.26 -5.04 118.70 114.54 2h5j s GLU 272 Ca 0.30 2.05 0.00 0.00 -0.41 0.00 0.00 54.97 56.91 2h5j s GLU 272 Cb 0.03 -3.15 0.07 0.00 -1.78 0.00 0.00 34.13 29.30 2h5j s GLU 272 CO 0.10 -0.11 0.00 -1.17 -0.49 0.00 0.00 175.26 173.59 2h5j s LEU 273 N -1.09 4.07 -0.11 1.80 0.20 -1.26 -5.04 118.68 117.25 2h5j s LEU 273 Ca 0.51 -1.54 -0.03 0.00 0.69 0.00 0.00 54.13 53.76 2h5j s LEU 273 Cb -0.37 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 2h5j s LEU 273 CO 0.45 -0.29 0.00 -0.31 -0.29 0.00 0.00 176.35 175.90 2h5j s TYR 274 N 1.14 3.15 -2.02 5.38 2.02 -1.26 -0.03 117.35 125.73 2h5j s TYR 274 Ca -0.02 0.08 0.07 0.00 -0.37 0.00 0.00 57.07 56.83 2h5j s TYR 274 Cb -0.20 -1.86 0.32 0.00 -0.40 0.00 0.00 41.96 39.82 2h5j s TYR 274 CO -0.04 0.33 1.22 1.19 -1.57 0.00 0.00 175.55 176.68 2h5j n PHE 275 N 2.60 0.13 -4.35 2.71 3.72 -1.26 -4.82 117.46 116.20 2h5j n PHE 275 Ca -0.18 -0.06 -0.18 0.00 -0.05 0.00 0.00 57.45 56.98 2h5j n PHE 275 Cb 0.53 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.97 2h5j n PHE 275 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2h5j s TYR 276 N -1.87 1.64 0.00 1.38 -0.85 -1.26 -5.03 117.35 111.36 2h5j s TYR 276 Ca 0.13 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 2h5j s TYR 276 Cb 0.06 -0.98 0.00 0.00 0.38 0.00 0.00 41.96 41.43 2h5j s TYR 276 CO 0.09 -0.07 0.00 -2.39 -1.52 0.00 0.00 175.55 171.67