#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhb s MET 177 N 0.00 3.85 0.25 4.33 -2.45 -1.26 -5.05 119.30 118.97 3fhb s MET 177 Ca 0.00 -0.10 -0.30 0.00 -1.25 0.00 0.00 55.69 54.04 3fhb s MET 177 Cb 0.00 -3.71 -0.09 0.00 1.25 0.00 0.00 34.83 32.28 3fhb s MET 177 CO 0.00 -0.38 1.17 0.15 1.05 0.00 0.00 175.02 177.01 3fhb s LYS 178 N 2.09 4.53 0.03 4.11 1.02 -1.26 -5.00 119.74 125.26 3fhb s LYS 178 Ca 0.14 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 57.73 3fhb s LYS 178 Cb -0.16 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 3fhb s LYS 178 CO 0.11 0.02 1.17 0.50 -0.92 0.00 0.00 175.35 176.23 3fhb s ARG 179 N -1.00 4.44 -0.27 1.68 3.52 -1.11 -4.88 118.95 121.33 3fhb s ARG 179 Ca 0.49 1.70 -0.16 0.00 -0.13 0.00 0.00 55.73 57.62 3fhb s ARG 179 Cb -0.34 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 3fhb s ARG 179 CO 0.41 -0.26 0.43 0.14 -0.81 0.00 0.00 175.30 175.22 3fhb s VAL 180 N 1.26 5.13 0.50 7.11 -7.23 -1.26 -0.38 120.40 125.53 3fhb s VAL 180 Ca 0.57 0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 61.24 3fhb s VAL 180 Cb -0.27 -3.76 -0.08 0.00 0.56 0.00 0.00 36.38 32.83 3fhb s VAL 180 CO 0.28 0.12 1.03 -1.10 -0.31 0.00 0.00 175.10 175.12 3fhb s GLN 181 N 2.18 3.76 0.80 4.82 -0.21 -0.07 -4.88 119.66 126.06 3fhb s GLN 181 Ca 0.18 1.29 -0.14 0.00 0.02 0.00 0.00 55.36 56.71 3fhb s GLN 181 Cb -0.16 -2.09 0.06 0.00 1.00 0.00 0.00 33.01 31.82 3fhb s GLN 181 CO 0.10 -0.45 1.05 -2.30 -2.12 0.00 0.00 175.29 171.57 3fhb n PRO 182 N -1.15 0.19 -2.64 2.91 -0.02 -1.26 -2.98 135.00 130.05 3fhb n PRO 182 Ca 0.09 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3fhb n PRO 182 Cb 0.53 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3fhb n PRO 182 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fhb n SER 184 N 3.55 0.18 -4.82 0.00 3.41 -1.26 -4.93 113.62 109.76 3fhb n SER 184 Ca 0.06 0.13 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 3fhb n SER 184 Cb 0.49 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 3fhb n SER 184 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fhb s LEU 185 N -2.90 4.50 0.86 1.04 1.43 -1.26 -5.08 118.68 117.27 3fhb s LEU 185 Ca 0.16 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3fhb s LEU 185 Cb 0.19 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.61 3fhb s LEU 185 CO 0.56 0.26 1.09 1.51 0.23 0.00 0.00 176.35 180.00 3fhb s ASP 186 N -1.19 3.80 0.22 2.29 1.47 -1.26 -4.75 116.67 117.25 3fhb s ASP 186 Ca 0.29 1.47 -0.08 0.00 1.18 0.00 0.00 52.55 55.42 3fhb s ASP 186 Cb -0.19 -2.17 0.30 0.00 -0.34 0.00 0.00 42.92 40.53 3fhb s ASP 186 CO 0.18 -2.43 1.79 -0.65 0.68 0.00 0.00 175.17 174.74 3fhb h PRO 187 N -1.41 0.62 -0.42 2.11 0.11 -1.99 -0.87 132.00 130.15 3fhb h PRO 187 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3fhb h PRO 187 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3fhb h PRO 187 CO 0.55 0.41 -0.03 0.00 -0.21 0.00 0.00 178.00 178.72 3fhb h ALA 188 N 1.40 0.56 -0.43 -0.75 0.00 -2.00 -2.07 119.26 115.98 3fhb h ALA 188 Ca 0.33 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3fhb h ALA 188 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fhb h ALA 188 CO -0.24 0.38 -0.14 1.15 0.00 0.00 0.00 179.25 180.40 3fhb h THR 189 N 0.58 1.26 -0.52 0.00 2.02 -1.86 -1.96 112.91 112.44 3fhb h THR 189 Ca 0.11 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.11 3fhb h THR 189 Cb 0.53 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 3fhb h THR 189 CO 0.03 0.42 0.26 1.56 0.37 0.00 0.00 175.52 178.16 3fhb h GLN 190 N 0.72 0.49 -0.39 6.66 4.20 -0.81 -1.51 115.11 124.47 3fhb h GLN 190 Ca 0.11 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3fhb h GLN 190 Cb 0.64 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3fhb h GLN 190 CO 0.04 0.32 0.09 -0.22 -0.67 0.00 0.00 178.83 178.40 3fhb h LYS 191 N 0.50 0.62 0.13 1.46 3.64 -1.17 0.14 116.57 121.90 3fhb h LYS 191 Ca 0.23 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3fhb h LYS 191 Cb 0.14 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3fhb h LYS 191 CO -0.16 0.65 -0.43 1.25 -2.27 0.00 0.00 179.45 178.49 3fhb h LEU 192 N 0.48 -1.27 -1.30 5.20 5.85 -1.19 0.20 115.31 123.29 3fhb h LEU 192 Ca 0.12 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3fhb h LEU 192 Cb 0.31 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3fhb h LEU 192 CO 0.00 -0.50 0.30 0.40 -0.34 0.00 0.00 178.44 178.30 3fhb h ILE 193 N -0.67 1.18 -0.15 4.05 1.08 -1.11 -0.13 117.51 121.75 3fhb h ILE 193 Ca 0.02 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 3fhb h ILE 193 Cb 0.69 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3fhb h ILE 193 CO -0.24 0.20 0.07 0.74 -0.69 0.00 0.00 178.15 178.22 3fhb h THR 194 N 0.78 1.14 -0.23 -0.27 2.02 -0.72 -3.00 112.91 112.62 3fhb h THR 194 Ca 0.20 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3fhb h THR 194 Cb 0.04 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3fhb h THR 194 CO -0.03 0.13 0.12 0.78 0.37 0.00 0.00 175.52 176.89 3fhb h ASN 195 N 0.10 0.19 0.92 4.18 2.35 0.47 -1.94 115.58 121.85 3fhb h ASN 195 Ca 0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3fhb h ASN 195 Cb 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3fhb h ASN 195 CO -0.01 0.14 -0.01 2.30 -1.65 0.00 0.00 177.43 178.21 3fhb n ILE 196 N -4.97 0.00 0.12 2.81 -5.35 -0.16 -2.55 119.36 109.25 3fhb n ILE 196 Ca -0.02 -0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.50 3fhb n ILE 196 Cb 0.05 -0.48 0.07 0.00 -1.74 0.00 0.00 39.64 37.53 3fhb n ILE 196 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3fhb n PHE 197 N -1.46 0.15 -1.73 4.28 3.72 -1.14 -4.60 117.46 116.68 3fhb n PHE 197 Ca 0.08 -0.23 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 3fhb n PHE 197 Cb 0.32 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 3fhb n PHE 197 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fhb s SER 198 N -0.81 6.48 0.19 4.37 0.15 -0.74 -4.91 113.70 118.43 3fhb s SER 198 Ca 0.12 2.63 -0.12 0.00 0.70 0.00 0.00 55.95 59.28 3fhb s SER 198 Cb 0.07 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 62.01 3fhb s SER 198 CO 0.10 -1.02 1.78 0.11 1.20 0.00 0.00 173.24 175.41 3fhb h LYS 199 N 9.99 0.47 -0.94 5.44 1.79 -1.91 -1.57 116.57 129.85 3fhb h LYS 199 Ca -0.47 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.05 3fhb h LYS 199 Cb 1.23 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 3fhb h LYS 199 CO 0.94 0.31 0.58 1.49 -1.08 0.00 0.00 179.45 181.70 3fhb h GLU 200 N 0.49 0.97 -0.30 3.15 4.57 -1.98 0.91 114.58 122.39 3fhb h GLU 200 Ca 0.24 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 3fhb h GLU 200 Cb 0.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3fhb h GLU 200 CO -0.19 0.64 0.04 1.98 -1.18 0.00 0.00 179.01 180.30 3fhb h MET 201 N 1.00 0.50 0.06 1.92 4.05 -1.66 -0.18 114.93 120.63 3fhb h MET 201 Ca 0.43 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.72 3fhb h MET 201 Cb 0.30 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 3fhb h MET 201 CO -0.22 0.62 -0.13 0.74 0.23 0.00 0.00 176.91 178.15 3fhb h PHE 202 N 0.32 -0.34 -0.53 1.39 0.04 -0.91 -0.21 116.94 116.70 3fhb h PHE 202 Ca 0.09 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3fhb h PHE 202 Cb 0.37 0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3fhb h PHE 202 CO 0.03 -0.20 0.32 0.87 -0.60 0.00 0.00 178.31 178.73 3fhb h LYS 203 N -0.25 0.62 -0.66 1.51 1.57 -0.74 -0.26 116.57 118.36 3fhb h LYS 203 Ca 0.03 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3fhb h LYS 203 Cb 0.28 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 3fhb h LYS 203 CO -0.08 0.41 0.23 -0.91 -0.57 0.00 0.00 179.45 178.53 3fhb h ASN 204 N 0.64 0.19 -0.66 0.86 2.35 -0.82 0.28 115.58 118.43 3fhb h ASN 204 Ca 0.21 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 3fhb h ASN 204 Cb 0.01 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3fhb h ASN 204 CO -0.09 0.10 0.08 0.74 -1.65 0.00 0.00 177.43 176.60 3fhb h THR 205 N 0.39 1.27 -0.13 2.81 2.02 -0.00 0.33 112.91 119.59 3fhb h THR 205 Ca 0.35 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3fhb h THR 205 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3fhb h THR 205 CO -0.36 0.40 0.04 0.24 0.37 0.00 0.00 175.52 176.21 3fhb h MET 206 N 1.03 0.21 -0.32 6.66 2.86 0.61 -2.39 114.93 123.58 3fhb h MET 206 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3fhb h MET 206 Cb 0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3fhb h MET 206 CO 0.02 0.34 0.21 0.00 1.06 0.00 0.00 176.91 178.54 3fhb h ALA 207 N 0.86 1.77 0.00 6.32 0.00 -0.30 -0.66 119.26 127.25 3fhb h ALA 207 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fhb h ALA 207 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fhb h ALA 207 CO -0.00 0.21 -0.02 -0.07 0.00 0.00 0.00 179.25 179.36 3fhb h LEU 208 N 0.43 0.00 -3.11 0.00 4.07 -0.62 -2.55 115.31 113.53 3fhb h LEU 208 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3fhb h LEU 208 Cb -0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.69 3fhb h LEU 208 CO -0.03 0.02 0.00 0.23 -1.08 0.00 0.00 178.44 177.59 3fhb n MET 209 N -3.13 3.54 -1.27 1.13 2.81 -0.39 -4.94 117.12 114.86 3fhb n MET 209 Ca 0.00 -2.79 -0.09 0.00 -1.81 0.00 0.00 57.70 53.01 3fhb n MET 209 Cb 0.32 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.98 3fhb n MET 209 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fhb n ASP 210 N 0.95 -4.52 -4.78 7.83 8.00 -0.96 -4.99 116.55 118.08 3fhb n ASP 210 Ca 0.24 0.23 -0.37 0.00 0.71 0.00 0.00 54.79 55.60 3fhb n ASP 210 Cb 0.83 -2.85 -0.06 0.00 -0.02 0.00 0.00 41.12 39.02 3fhb n ASP 210 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fhb s LEU 211 N -2.15 4.33 -0.76 0.64 1.02 -0.42 -0.17 118.68 121.17 3fhb s LEU 211 Ca 0.00 1.84 -0.19 0.00 0.02 0.00 0.00 54.13 55.80 3fhb s LEU 211 Cb 0.00 -4.02 0.12 0.00 0.02 0.00 0.00 46.19 42.31 3fhb s LEU 211 CO 0.00 -0.08 0.94 -0.62 0.02 0.00 0.00 176.35 176.61 3fhb s ASP 212 N -1.61 6.41 0.58 2.29 -1.08 -0.38 -4.17 116.67 118.71 3fhb s ASP 212 Ca 0.50 -1.69 0.34 0.00 -0.52 0.00 0.00 52.55 51.19 3fhb s ASP 212 Cb -0.19 -2.36 1.75 0.00 -1.46 0.00 0.00 42.92 40.67 3fhb s ASP 212 CO 0.24 -1.12 2.15 0.58 0.52 0.00 0.00 175.17 177.54 3fhb h VAL 213 N 5.79 0.26 -0.05 1.11 2.07 -1.87 -0.72 116.25 122.84 3fhb h VAL 213 Ca -0.08 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 66.88 3fhb h VAL 213 Cb 1.05 1.26 0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3fhb h VAL 213 CO 1.09 0.05 -0.84 0.11 0.02 0.00 0.00 177.57 177.99 3fhb h LYS 214 N 0.00 0.66 0.00 1.57 6.56 -1.97 -2.84 116.57 120.55 3fhb h LYS 214 Ca -0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 60.65 58.95 3fhb h LYS 214 Cb 0.26 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 3fhb h LYS 214 CO 0.01 1.24 -0.22 0.87 -2.06 0.00 0.00 179.45 179.29 3fhb h LYS 215 N 0.31 0.00 -2.04 3.15 1.57 -1.86 -3.40 116.57 114.31 3fhb h LYS 215 Ca -0.09 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.13 3fhb h LYS 215 Cb 1.50 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.41 3fhb h LYS 215 CO 0.17 0.00 -1.02 -0.12 -0.57 0.00 0.00 179.45 177.91 3fhb n MET 216 N -2.45 1.10 -2.04 3.15 0.00 -0.31 -4.99 117.12 111.58 3fhb n MET 216 Ca 0.04 -3.52 -0.31 0.00 0.00 0.00 0.00 57.70 53.91 3fhb n MET 216 Cb 0.46 -1.46 -0.00 0.00 0.00 0.00 0.00 33.22 32.22 3fhb n MET 216 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3fhb s PRO 217 N -1.59 3.69 0.27 2.12 0.04 -1.08 -4.55 135.00 133.91 3fhb s PRO 217 Ca 0.37 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3fhb s PRO 217 Cb 0.19 -2.11 0.57 0.00 0.04 0.00 0.00 34.50 33.19 3fhb s PRO 217 CO -0.09 -0.47 1.75 -0.07 0.04 0.00 0.00 177.00 178.16 3fhb h LEU 218 N 0.04 0.52 0.00 -3.56 3.38 -1.98 0.14 115.31 113.86 3fhb h LEU 218 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3fhb h LEU 218 Cb 1.19 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3fhb h LEU 218 CO 0.62 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.96 3fhb n GLY 219 N -1.33 -1.38 0.00 0.83 0.00 -1.26 -2.96 105.19 99.09 3fhb n GLY 219 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3fhb n GLY 219 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fhb n LYS 220 N -1.50 0.28 -1.69 1.61 4.81 0.44 -4.98 118.16 117.13 3fhb n LYS 220 Ca 0.06 -0.09 -0.44 0.00 -0.87 0.00 0.00 58.31 56.98 3fhb n LYS 220 Cb 0.30 -1.51 -0.04 0.00 0.02 0.00 0.00 35.03 33.81 3fhb n LYS 220 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3fhb n LEU 221 N -1.82 3.57 -4.04 3.14 7.94 -0.88 -4.97 117.00 119.95 3fhb n LEU 221 Ca 0.01 1.07 -0.11 0.00 -1.11 0.00 0.00 56.01 55.87 3fhb n LEU 221 Cb 0.43 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.77 3fhb n LEU 221 CO 0.44 -0.04 -0.38 -0.94 -1.11 0.00 0.00 177.39 175.36 3fhb s SER 222 N 1.09 0.60 0.25 1.96 1.04 -1.26 -5.01 113.70 112.37 3fhb s SER 222 Ca 0.77 -0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 3fhb s SER 222 Cb -0.59 0.07 0.26 0.00 0.10 0.00 0.00 66.02 65.87 3fhb s SER 222 CO 0.35 -0.28 1.86 0.11 0.98 0.00 0.00 173.24 176.26 3fhb h LYS 223 N 4.40 1.19 -0.75 4.02 1.57 -1.97 -2.20 116.57 122.82 3fhb h LYS 223 Ca -0.34 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.38 3fhb h LYS 223 Cb 1.20 -0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 3fhb h LYS 223 CO 0.43 0.88 0.40 0.37 -0.57 0.00 0.00 179.45 180.97 3fhb h GLN 224 N 1.19 0.66 -0.05 3.15 4.15 -1.98 -0.53 115.11 121.70 3fhb h GLN 224 Ca 0.30 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 3fhb h GLN 224 Cb 0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3fhb h GLN 224 CO -0.04 0.44 -0.19 0.37 -1.93 0.00 0.00 178.83 177.47 3fhb h GLN 225 N 0.68 0.22 -0.93 1.69 4.15 -1.85 -0.31 115.11 118.76 3fhb h GLN 225 Ca 0.37 -0.17 0.07 0.00 0.77 0.00 0.00 58.65 59.69 3fhb h GLN 225 Cb 0.36 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 3fhb h GLN 225 CO -0.26 0.81 0.58 0.82 -1.93 0.00 0.00 178.83 178.85 3fhb h ILE 226 N -0.33 1.05 -0.98 2.39 2.04 -1.37 0.23 117.51 120.54 3fhb h ILE 226 Ca -0.01 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3fhb h ILE 226 Cb 0.83 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3fhb h ILE 226 CO 0.04 0.19 0.64 0.00 0.00 0.00 0.00 178.15 179.02 3fhb h ALA 227 N 1.44 1.24 -0.29 1.87 0.00 -0.86 -1.48 119.26 121.17 3fhb h ALA 227 Ca 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3fhb h ALA 227 Cb 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3fhb h ALA 227 CO -0.18 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.65 3fhb h ARG 228 N 1.33 0.57 -0.56 0.00 3.08 0.05 -2.39 114.38 116.46 3fhb h ARG 228 Ca 0.36 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 60.31 3fhb h ARG 228 Cb -0.14 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.78 3fhb h ARG 228 CO -0.08 0.76 -0.08 0.78 -1.07 0.00 0.00 179.97 180.29 3fhb h GLY 229 N 0.33 0.48 0.98 0.04 0.00 -0.70 0.12 103.07 104.33 3fhb h GLY 229 Ca 0.08 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3fhb h GLY 229 CO 0.03 -0.20 0.25 0.74 0.00 0.00 0.00 176.54 177.36 3fhb h PHE 230 N 0.05 0.81 -0.89 5.60 -1.00 -1.13 -0.59 116.94 119.79 3fhb h PHE 230 Ca 0.28 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.01 3fhb h PHE 230 Cb 0.43 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.70 3fhb h PHE 230 CO -0.41 0.64 0.57 0.93 -1.61 0.00 0.00 178.31 178.43 3fhb h GLU 231 N 0.75 1.19 -0.77 1.51 5.08 -0.96 0.27 114.58 121.64 3fhb h GLU 231 Ca 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3fhb h GLU 231 Cb 0.15 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3fhb h GLU 231 CO -0.02 0.81 0.41 0.00 -1.00 0.00 0.00 179.01 179.20 3fhb h ALA 232 N 1.41 0.99 -0.46 3.43 0.00 -0.24 -0.49 119.26 123.89 3fhb h ALA 232 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fhb h ALA 232 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3fhb h ALA 232 CO -0.07 0.52 0.23 -0.07 0.00 0.00 0.00 179.25 179.86 3fhb h LEU 233 N 1.08 0.61 -0.51 0.00 3.38 -0.41 -2.36 115.31 117.09 3fhb h LEU 233 Ca 0.27 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3fhb h LEU 233 Cb 0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3fhb h LEU 233 CO -0.04 0.56 0.17 -0.33 0.09 0.00 0.00 178.44 178.90 3fhb h GLU 234 N 0.61 0.34 -0.82 1.13 5.08 -0.06 -0.17 114.58 120.68 3fhb h GLU 234 Ca 0.16 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3fhb h GLU 234 Cb 0.11 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3fhb h GLU 234 CO -0.02 0.22 0.54 0.00 -1.00 0.00 0.00 179.01 178.75 3fhb h ALA 235 N 1.35 1.58 -0.37 3.43 0.00 -0.90 -1.29 119.26 123.06 3fhb h ALA 235 Ca 0.25 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3fhb h ALA 235 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fhb h ALA 235 CO -0.26 0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 178.92 3fhb h LEU 236 N 0.92 0.83 -0.28 0.00 3.38 -0.73 -2.44 115.31 117.00 3fhb h LEU 236 Ca 0.35 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3fhb h LEU 236 Cb 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3fhb h LEU 236 CO -0.12 1.07 -0.27 -0.08 0.09 0.00 0.00 178.44 179.13 3fhb h GLU 237 N 0.68 0.68 -0.54 1.13 4.81 -0.19 -0.72 114.58 120.43 3fhb h GLU 237 Ca 0.08 -0.35 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3fhb h GLU 237 Cb 0.84 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.16 3fhb h GLU 237 CO 0.07 0.96 0.15 0.93 -0.73 0.00 0.00 179.01 180.39 3fhb h GLU 238 N 0.41 0.29 -0.24 1.92 3.07 -1.30 0.15 114.58 118.88 3fhb h GLU 238 Ca 0.05 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3fhb h GLU 238 Cb 0.83 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.64 3fhb h GLU 238 CO 0.07 0.19 0.00 0.00 -1.40 0.00 0.00 179.01 177.87 3fhb h ALA 239 N 1.41 0.22 0.20 3.43 0.00 -0.87 0.68 119.26 124.33 3fhb h ALA 239 Ca 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3fhb h ALA 239 Cb 0.36 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fhb h ALA 239 CO -0.32 -0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 178.34 3fhb h LEU 240 N 0.08 -0.23 0.00 0.00 3.38 -0.95 -3.27 115.31 114.33 3fhb h LEU 240 Ca 0.12 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3fhb h LEU 240 Cb 0.15 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3fhb h LEU 240 CO -0.19 0.24 0.00 0.29 0.09 0.00 0.00 178.44 178.87 3fhb n LYS 241 N -5.00 0.45 -2.47 1.13 5.02 0.51 -4.75 118.16 113.05 3fhb n LYS 241 Ca -0.08 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 3fhb n LYS 241 Cb 0.26 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.88 3fhb n LYS 241 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fhb n GLY 242 N 0.86 0.78 4.02 0.72 0.00 0.24 -5.00 105.19 106.80 3fhb n GLY 242 Ca 0.14 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 3fhb n GLY 242 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fhb s PRO 243 N -4.88 2.47 -1.06 1.61 0.04 -1.26 -4.94 135.00 126.97 3fhb s PRO 243 Ca 0.61 -1.40 -0.19 0.00 0.04 0.00 0.00 61.00 60.06 3fhb s PRO 243 Cb -0.04 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 3fhb s PRO 243 CO 0.41 -0.67 2.03 2.41 0.04 0.00 0.00 177.00 181.21 3fhb n THR 244 N -2.15 2.50 -0.39 1.26 -1.04 -1.26 -4.91 114.28 108.30 3fhb n THR 244 Ca 0.12 -2.23 0.00 0.00 -2.04 0.00 0.00 64.05 59.90 3fhb n THR 244 Cb 0.60 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 3fhb n THR 244 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3fhb n ASP 245 N 7.42 -0.33 -0.56 8.00 5.68 -1.26 -4.93 116.55 130.56 3fhb n ASP 245 Ca 0.50 -0.39 0.02 0.00 -0.50 0.00 0.00 54.79 54.42 3fhb n ASP 245 Cb 0.41 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.46 3fhb n ASP 245 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fhb n GLY 246 N 3.51 0.93 3.46 6.12 0.00 -1.26 -4.95 105.19 113.00 3fhb n GLY 246 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3fhb n GLY 246 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fhb s GLY 247 N -0.49 1.51 0.41 -0.02 0.00 -1.26 -4.96 107.32 102.51 3fhb s GLY 247 Ca 0.10 -0.77 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 3fhb s GLY 247 CO 0.04 0.13 1.35 1.20 0.00 0.00 0.00 173.10 175.83 3fhb s GLN 248 N -5.13 3.95 1.05 2.90 -0.21 -1.26 -5.01 119.66 115.94 3fhb s GLN 248 Ca 0.69 2.27 -0.12 0.00 0.02 0.00 0.00 55.36 58.23 3fhb s GLN 248 Cb -0.13 -2.78 0.22 0.00 1.00 0.00 0.00 33.01 31.31 3fhb s GLN 248 CO 0.58 -0.55 1.07 -1.54 -2.12 0.00 0.00 175.29 172.73 3fhb s SER 249 N -0.60 1.95 0.36 5.90 1.04 -1.26 -4.83 113.70 116.25 3fhb s SER 249 Ca 0.57 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.78 3fhb s SER 249 Cb -0.40 -2.35 0.67 0.00 0.10 0.00 0.00 66.02 64.04 3fhb s SER 249 CO 0.53 -3.63 1.85 -0.07 0.98 0.00 0.00 173.24 172.90 3fhb h LEU 250 N -2.23 0.26 0.59 2.42 3.38 -1.94 -2.05 115.31 115.73 3fhb h LEU 250 Ca -0.54 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 3fhb h LEU 250 Cb 1.31 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3fhb h LEU 250 CO 0.49 0.47 -0.28 -0.08 0.09 0.00 0.00 178.44 179.12 3fhb h GLU 251 N 0.25 -0.76 -0.78 1.13 4.81 -1.92 0.18 114.58 117.49 3fhb h GLU 251 Ca 0.04 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3fhb h GLU 251 Cb 0.49 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3fhb h GLU 251 CO 0.03 -0.48 0.37 1.05 -0.73 0.00 0.00 179.01 179.26 3fhb h GLU 252 N -0.87 1.11 -0.24 1.92 4.11 -1.90 -1.23 114.58 117.48 3fhb h GLU 252 Ca -0.08 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.07 3fhb h GLU 252 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3fhb h GLU 252 CO 0.13 0.86 -0.38 -0.07 0.07 0.00 0.00 179.01 179.62 3fhb h LEU 253 N 1.10 0.57 -0.35 3.06 3.38 -1.27 -1.48 115.31 120.33 3fhb h LEU 253 Ca 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3fhb h LEU 253 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fhb h LEU 253 CO -0.03 0.90 0.11 0.28 0.09 0.00 0.00 178.44 179.78 3fhb h SER 254 N 0.45 0.51 -0.85 -0.43 0.02 -0.39 -2.56 113.55 110.30 3fhb h SER 254 Ca 0.04 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3fhb h SER 254 Cb 0.87 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 3fhb h SER 254 CO 0.07 0.58 0.56 -1.28 -1.14 0.00 0.00 176.83 175.62 3fhb h SER 255 N 0.41 0.90 -0.32 3.07 0.87 -0.96 0.40 113.55 117.90 3fhb h SER 255 Ca 0.11 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3fhb h SER 255 Cb 0.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3fhb h SER 255 CO -0.00 0.61 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.16 3fhb h HIS 256 N 1.03 0.63 -0.44 2.24 6.17 -1.15 -2.16 115.15 121.47 3fhb h HIS 256 Ca 0.35 -0.11 0.08 0.00 0.71 0.00 0.00 60.37 61.39 3fhb h HIS 256 Cb 0.07 -0.16 -0.06 0.00 2.52 0.00 0.00 27.41 29.77 3fhb h HIS 256 CO -0.00 0.70 0.05 0.35 0.71 0.00 0.00 177.93 179.75 3fhb h PHE 257 N 0.37 0.08 0.00 5.26 3.57 -0.93 -1.55 116.94 123.74 3fhb h PHE 257 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3fhb h PHE 257 Cb 0.46 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3fhb h PHE 257 CO 0.04 -0.03 0.00 0.66 -2.23 0.00 0.00 178.31 176.75 3fhb n TYR 258 N -5.14 0.77 0.07 0.41 4.01 0.05 -0.33 117.16 117.00 3fhb n TYR 258 Ca 0.04 0.31 -0.21 0.00 -0.16 0.00 0.00 57.90 57.88 3fhb n TYR 258 Cb 0.22 -1.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.11 3fhb n TYR 258 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3fhb h THR 259 N 0.00 1.38 -0.03 -0.72 2.02 -0.63 -3.24 112.91 111.68 3fhb h THR 259 Ca 0.00 -2.45 -0.23 0.00 0.77 0.00 0.00 66.41 64.50 3fhb h THR 259 Cb 0.31 2.89 0.02 0.00 -1.74 0.00 0.00 68.15 69.63 3fhb h THR 259 CO 0.00 0.72 -0.88 0.58 0.37 0.00 0.00 175.52 176.32 3fhb h VAL 260 N -0.01 1.31 -3.50 3.16 2.07 -0.76 -3.39 116.25 115.13 3fhb h VAL 260 Ca -0.17 -2.14 -0.67 0.00 0.82 0.00 0.00 66.70 64.54 3fhb h VAL 260 Cb 1.77 2.34 -0.38 0.00 -1.52 0.00 0.00 31.29 33.50 3fhb h VAL 260 CO 0.20 0.66 -0.53 -0.63 0.02 0.00 0.00 177.57 177.29 3fhb s ILE 261 N -3.40 3.09 0.02 4.57 -1.09 0.55 -4.88 121.20 120.06 3fhb s ILE 261 Ca -0.11 -2.88 -0.30 0.00 -2.23 0.00 0.00 60.65 55.13 3fhb s ILE 261 Cb 0.06 -3.10 -0.07 0.00 -1.58 0.00 0.00 42.46 37.77 3fhb s ILE 261 CO 0.89 -0.79 1.72 -2.84 -1.23 0.00 0.00 174.94 172.69 3fhb s PRO 262 N 0.15 4.18 0.16 2.79 0.02 -1.22 -4.38 135.00 136.70 3fhb s PRO 262 Ca 0.15 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.57 3fhb s PRO 262 Cb -0.22 -3.85 -0.04 0.00 0.02 0.00 0.00 34.50 30.41 3fhb s PRO 262 CO -0.03 -0.82 0.12 -1.01 -0.33 0.00 0.00 177.00 174.93 3fhb s HIS 263 N 3.49 3.12 -0.13 6.54 3.76 -1.26 -1.25 115.29 129.56 3fhb s HIS 263 Ca 0.77 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 3fhb s HIS 263 Cb -0.38 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 31.82 3fhb s HIS 263 CO 0.33 0.52 -0.22 1.21 -0.85 0.00 0.00 174.74 175.73 3fhb s ASN 264 N -3.08 3.11 -0.45 1.40 3.04 0.76 -4.55 114.94 115.17 3fhb s ASN 264 Ca 0.31 -0.60 0.10 0.00 0.04 0.00 0.00 52.86 52.70 3fhb s ASN 264 Cb -0.10 -1.44 0.37 0.00 -1.54 0.00 0.00 41.25 38.54 3fhb s ASN 264 CO 0.23 0.09 0.87 0.49 -3.04 0.00 0.00 177.10 175.74 3fhb n PHE 265 N 3.99 2.00 -4.08 0.43 3.72 -1.26 -4.65 117.46 117.61 3fhb n PHE 265 Ca -0.20 -3.70 -0.32 0.00 -0.05 0.00 0.00 57.45 53.19 3fhb n PHE 265 Cb 0.52 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 3fhb n PHE 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fhb n GLY 266 N -0.02 -0.38 3.89 1.37 0.00 -1.26 -2.12 105.19 106.66 3fhb n GLY 266 Ca 0.27 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 3fhb n GLY 266 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fhb n HIS 267 N -4.44 -2.24 -4.14 1.61 8.25 -1.26 -5.00 115.22 108.00 3fhb n HIS 267 Ca -0.06 0.89 -0.23 0.00 -0.26 0.00 0.00 57.72 58.07 3fhb n HIS 267 Cb 0.56 -4.03 -0.06 0.00 1.12 0.00 0.00 29.99 27.57 3fhb n HIS 267 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fhb s SER 268 N -3.49 4.67 0.07 0.41 0.01 -0.90 -5.09 113.70 109.37 3fhb s SER 268 Ca 0.56 -0.74 -0.31 0.00 1.31 0.00 0.00 55.95 56.77 3fhb s SER 268 Cb -0.28 -0.76 -0.08 0.00 0.21 0.00 0.00 66.02 65.11 3fhb s SER 268 CO 0.83 -0.24 1.56 0.00 0.41 0.00 0.00 173.24 175.80 3fhb s GLN 269 N -3.81 4.23 0.91 12.44 1.03 -1.26 -4.56 119.66 128.64 3fhb s GLN 269 Ca 0.36 2.22 -0.10 0.00 0.04 0.00 0.00 55.36 57.88 3fhb s GLN 269 Cb -0.03 -3.51 0.14 0.00 0.03 0.00 0.00 33.01 29.64 3fhb s GLN 269 CO 0.22 -0.65 1.12 -2.14 -2.54 0.00 0.00 175.29 171.30 3fhb s PRO 270 N 2.26 1.09 0.29 9.60 0.02 -1.26 -4.98 135.00 142.02 3fhb s PRO 270 Ca 0.70 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 3fhb s PRO 270 Cb -0.38 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 3fhb s PRO 270 CO 0.31 -2.53 0.77 -1.25 -0.33 0.00 0.00 177.00 173.97 3fhb s PRO 271 N -4.69 4.19 0.24 5.54 0.04 -1.26 -5.01 135.00 134.05 3fhb s PRO 271 Ca 0.66 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3fhb s PRO 271 Cb -0.22 -2.64 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 3fhb s PRO 271 CO 0.58 0.26 1.40 -1.25 0.04 0.00 0.00 177.00 178.02 3fhb s PRO 272 N -2.46 4.31 -0.74 0.56 0.04 -1.26 -4.94 135.00 130.50 3fhb s PRO 272 Ca 0.49 2.23 -0.25 0.00 0.04 0.00 0.00 61.00 63.52 3fhb s PRO 272 Cb -0.14 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.32 3fhb s PRO 272 CO 0.19 -0.36 1.18 0.42 0.04 0.00 0.00 177.00 178.47 3fhb s ILE 273 N -0.04 3.99 -0.01 0.56 1.01 -1.26 -4.80 121.20 120.65 3fhb s ILE 273 Ca 0.58 -0.05 0.17 0.00 0.00 0.00 0.00 60.65 61.35 3fhb s ILE 273 Cb -0.40 -4.84 0.29 0.00 0.01 0.00 0.00 42.46 37.51 3fhb s ILE 273 CO 0.42 -1.71 1.12 -0.46 0.00 0.00 0.00 174.94 174.31 3fhb n ASN 274 N 8.62 0.73 -3.63 3.58 0.23 -1.26 -4.92 115.26 118.62 3fhb n ASN 274 Ca 0.04 -2.10 -0.12 0.00 -0.53 0.00 0.00 54.58 51.87 3fhb n ASN 274 Cb 0.48 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 3fhb n ASN 274 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3fhb s SER 275 N -1.74 -0.30 0.25 0.53 1.04 -1.26 -5.05 113.70 107.17 3fhb s SER 275 Ca 0.23 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 3fhb s SER 275 Cb 0.26 0.47 0.29 0.00 0.10 0.00 0.00 66.02 67.13 3fhb s SER 275 CO -0.11 -0.78 1.88 -0.65 0.98 0.00 0.00 173.24 174.57 3fhb h PRO 276 N 2.63 1.18 -0.51 4.02 0.11 -1.99 -1.83 132.00 135.60 3fhb h PRO 276 Ca -0.33 -0.13 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3fhb h PRO 276 Cb 1.24 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 3fhb h PRO 276 CO 0.44 0.86 0.22 0.93 -0.21 0.00 0.00 178.00 180.24 3fhb h GLU 277 N 1.19 0.42 -0.49 1.05 3.07 -1.99 0.40 114.58 118.23 3fhb h GLU 277 Ca 0.30 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.02 3fhb h GLU 277 Cb 0.01 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3fhb h GLU 277 CO -0.05 0.28 -0.17 1.25 -1.40 0.00 0.00 179.01 178.92 3fhb h LEU 278 N 0.43 0.97 0.12 1.33 5.85 -1.92 -0.94 115.31 121.15 3fhb h LEU 278 Ca 0.24 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3fhb h LEU 278 Cb 0.20 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3fhb h LEU 278 CO -0.20 1.12 -0.06 0.25 -0.34 0.00 0.00 178.44 179.21 3fhb h LEU 279 N 0.84 -0.14 -0.90 2.25 5.85 -0.41 -1.57 115.31 121.24 3fhb h LEU 279 Ca 0.12 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3fhb h LEU 279 Cb 0.73 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3fhb h LEU 279 CO 0.06 -0.02 0.19 -0.61 -0.34 0.00 0.00 178.44 177.72 3fhb h GLN 280 N -0.24 1.00 -0.87 1.25 5.75 -0.92 -0.96 115.11 120.11 3fhb h GLN 280 Ca -0.02 -0.20 0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3fhb h GLN 280 Cb 0.19 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 3fhb h GLN 280 CO 0.03 0.86 0.56 0.00 -2.65 0.00 0.00 178.83 177.64 3fhb h ALA 281 N 1.24 1.67 0.07 3.38 0.00 -0.78 0.64 119.26 125.49 3fhb h ALA 281 Ca 0.21 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3fhb h ALA 281 Cb 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fhb h ALA 281 CO -0.01 0.15 -1.11 0.87 0.00 0.00 0.00 179.25 179.16 3fhb h LYS 282 N 0.85 0.23 -0.58 0.00 1.79 -0.58 -2.28 116.57 116.00 3fhb h LYS 282 Ca 0.40 -0.34 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 3fhb h LYS 282 Cb 0.42 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 3fhb h LYS 282 CO -0.17 1.13 0.35 0.87 -1.08 0.00 0.00 179.45 180.54 3fhb h LYS 283 N 0.08 0.66 -0.50 3.15 1.57 -0.60 -2.17 116.57 118.76 3fhb h LYS 283 Ca -0.09 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 3fhb h LYS 283 Cb 1.82 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 3fhb h LYS 283 CO 0.18 0.44 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.05 3fhb h ASP 284 N 0.68 0.81 0.12 0.86 3.32 -0.74 -0.81 116.42 120.67 3fhb h ASP 284 Ca 0.23 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3fhb h ASP 284 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3fhb h ASP 284 CO -0.11 0.88 -0.06 -0.03 -1.72 0.00 0.00 179.24 178.21 3fhb h MET 285 N 0.78 -0.15 0.00 3.56 4.05 -1.36 -1.32 114.93 120.49 3fhb h MET 285 Ca 0.15 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.54 3fhb h MET 285 Cb 0.48 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3fhb h MET 285 CO 0.02 -0.10 -0.17 1.25 0.23 0.00 0.00 176.91 178.14 3fhb h LEU 286 N -0.16 0.00 -0.37 3.39 5.85 -0.94 0.33 115.31 123.41 3fhb h LEU 286 Ca -0.02 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3fhb h LEU 286 Cb 0.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3fhb h LEU 286 CO 0.03 0.17 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.69 3fhb h LEU 287 N 0.00 0.87 -0.15 2.25 3.38 -0.83 -1.08 115.31 119.75 3fhb h LEU 287 Ca -0.00 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3fhb h LEU 287 Cb 0.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fhb h LEU 287 CO 0.02 1.24 -0.03 0.58 0.09 0.00 0.00 178.44 180.34 3fhb h VAL 288 N 0.61 1.29 -0.94 1.22 2.07 -0.18 -2.80 116.25 117.51 3fhb h VAL 288 Ca 0.02 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.60 3fhb h VAL 288 Cb 1.13 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 3fhb h VAL 288 CO 0.12 0.29 0.61 0.25 0.02 0.00 0.00 177.57 178.85 3fhb h LEU 289 N -0.00 1.01 -0.71 2.57 5.85 -0.97 0.67 115.31 123.73 3fhb h LEU 289 Ca 0.04 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3fhb h LEU 289 Cb 0.46 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3fhb h LEU 289 CO 0.01 0.69 0.35 0.00 -0.34 0.00 0.00 178.44 179.15 3fhb h ALA 290 N 1.40 0.97 0.00 1.25 0.00 -1.22 0.14 119.26 121.80 3fhb h ALA 290 Ca 0.38 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 3fhb h ALA 290 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fhb h ALA 290 CO -0.13 -0.05 -0.57 -0.44 0.00 0.00 0.00 179.25 178.05 3fhb h ASP 291 N 0.59 0.00 -0.56 0.00 3.32 -0.75 0.59 116.42 119.62 3fhb h ASP 291 Ca 0.35 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 3fhb h ASP 291 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3fhb h ASP 291 CO -0.27 0.57 0.08 0.40 -1.72 0.00 0.00 179.24 178.30 3fhb h ILE 292 N 0.00 1.26 -0.49 0.35 2.04 -0.42 -2.36 117.51 117.88 3fhb h ILE 292 Ca -0.01 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 3fhb h ILE 292 Cb 1.03 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3fhb h ILE 292 CO 0.07 0.36 -0.01 -0.08 0.00 0.00 0.00 178.15 178.49 3fhb h GLU 293 N 0.82 0.84 -0.11 2.37 4.22 -0.33 -1.79 114.58 120.60 3fhb h GLU 293 Ca 0.17 -0.24 0.04 0.00 0.08 0.00 0.00 59.36 59.41 3fhb h GLU 293 Cb 0.43 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3fhb h GLU 293 CO 0.01 0.85 -0.17 1.25 -2.18 0.00 0.00 179.01 178.77 3fhb h LEU 294 N 0.78 -0.52 -0.38 1.64 6.46 -0.80 0.95 115.31 123.43 3fhb h LEU 294 Ca 0.15 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.05 3fhb h LEU 294 Cb 0.49 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 3fhb h LEU 294 CO 0.02 -0.22 0.11 0.00 -0.62 0.00 0.00 178.44 177.73 3fhb h ALA 295 N 0.80 0.43 -0.77 1.25 0.00 -1.15 -0.49 119.26 119.33 3fhb h ALA 295 Ca 0.09 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3fhb h ALA 295 Cb 0.35 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3fhb h ALA 295 CO -0.24 -0.29 0.50 1.96 0.00 0.00 0.00 179.25 181.18 3fhb h GLN 296 N 0.25 1.02 -0.79 0.00 1.08 -0.94 -2.27 115.11 113.46 3fhb h GLN 296 Ca 0.18 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 3fhb h GLN 296 Cb 0.18 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3fhb h GLN 296 CO -0.20 0.68 0.29 0.00 -0.95 0.00 0.00 178.83 178.65 3fhb h ALA 297 N 1.28 1.03 -0.07 3.87 0.00 -0.46 -2.32 119.26 122.58 3fhb h ALA 297 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fhb h ALA 297 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3fhb h ALA 297 CO -0.06 0.67 -0.12 1.25 0.00 0.00 0.00 179.25 180.99 3fhb h LEU 298 N 1.16 0.09 0.00 0.00 5.85 -0.55 -2.62 115.31 119.24 3fhb h LEU 298 Ca 0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3fhb h LEU 298 Cb 0.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3fhb h LEU 298 CO -0.02 0.23 -0.23 0.00 -0.34 0.00 0.00 178.44 178.08 3fhb n GLN 299 N -4.34 0.03 -1.60 1.25 6.02 -0.88 -4.90 117.38 112.96 3fhb n GLN 299 Ca -0.02 0.02 -0.45 0.00 -0.01 0.00 0.00 57.00 56.54 3fhb n GLN 299 Cb 0.22 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 3fhb n GLN 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fhb n ALA 300 N -1.53 -0.12 -2.69 -1.58 0.00 -0.99 -4.91 120.51 108.68 3fhb n ALA 300 Ca 0.06 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3fhb n ALA 300 Cb 0.35 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3fhb n ALA 300 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fhb s VAL 301 N -0.81 4.95 0.99 0.00 1.01 -1.26 -5.05 120.40 120.24 3fhb s VAL 301 Ca 0.62 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 64.04 3fhb s VAL 301 Cb -0.72 -4.11 0.18 0.00 0.00 0.00 0.00 36.38 31.74 3fhb s VAL 301 CO 0.58 0.13 1.11 -0.94 0.00 0.00 0.00 175.10 175.98 3fhb s SER 302 N 1.01 2.73 0.05 3.32 1.04 -1.26 -4.97 113.70 115.62 3fhb s SER 302 Ca 0.39 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 3fhb s SER 302 Cb -0.17 -1.65 -0.28 0.00 0.10 0.00 0.00 66.02 64.01 3fhb s SER 302 CO 0.16 -3.05 1.05 -0.33 0.98 0.00 0.00 173.24 172.05 3fhb h GLU 303 N -1.84 0.28 -0.86 4.02 4.39 -2.00 -2.98 114.58 115.59 3fhb h GLU 303 Ca -0.53 -0.47 0.10 0.00 0.34 0.00 0.00 59.36 58.80 3fhb h GLU 303 Cb 1.33 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 30.03 3fhb h GLU 303 CO 0.57 1.20 -0.52 0.37 -1.16 0.00 0.00 179.01 179.47 3fhb h GLN 304 N 0.08 -0.08 0.00 2.33 4.15 -1.99 -2.05 115.11 117.54 3fhb h GLN 304 Ca -0.17 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 3fhb h GLN 304 Cb 1.99 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.70 3fhb h GLN 304 CO 0.19 -0.05 -0.05 0.93 -1.93 0.00 0.00 178.83 177.92 3fhb h GLU 305 N -0.08 0.00 0.00 1.69 5.08 -1.90 0.26 114.58 119.62 3fhb h GLU 305 Ca 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3fhb h GLU 305 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3fhb h GLU 305 CO -0.87 0.05 -0.28 0.87 -1.00 0.00 0.00 179.01 177.79 3fhb h LYS 306 N 0.00 0.00 0.00 2.33 1.57 -1.25 -3.34 116.57 115.88 3fhb h LYS 306 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3fhb h LYS 306 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3fhb h LYS 306 CO 0.01 0.28 -1.85 0.25 -0.57 0.00 0.00 179.45 177.56 3fhb n THR 307 N -3.26 1.12 -2.26 -0.16 -2.24 0.81 -4.91 114.28 103.39 3fhb n THR 307 Ca 0.02 -0.73 -0.40 0.00 -2.27 0.00 0.00 64.05 60.67 3fhb n THR 307 Cb 0.56 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 3fhb n THR 307 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fhb s VAL 308 N -2.84 3.03 -1.84 2.28 1.01 -0.65 -4.96 120.40 116.43 3fhb s VAL 308 Ca -0.06 1.00 0.25 0.00 0.00 0.00 0.00 61.98 63.17 3fhb s VAL 308 Cb 0.09 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.99 3fhb s VAL 308 CO 0.83 0.21 1.37 -0.62 0.00 0.00 0.00 175.10 176.89 3fhb n GLU 309 N 0.75 0.96 -5.01 2.72 1.02 -1.26 -4.74 120.64 115.07 3fhb n GLU 309 Ca 0.01 -0.68 -0.27 0.00 -0.02 0.00 0.00 57.16 56.20 3fhb n GLU 309 Cb 0.44 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 3fhb n GLU 309 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3fhb s GLU 310 N -2.51 1.68 0.20 3.49 2.02 -1.26 -2.75 118.70 119.57 3fhb s GLU 310 Ca 0.22 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 54.54 3fhb s GLU 310 Cb 0.19 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 3fhb s GLU 310 CO 0.55 0.45 -0.05 0.14 0.02 0.00 0.00 175.26 176.37 3fhb s VAL 311 N -0.50 3.41 0.72 2.63 -7.23 0.49 -4.95 120.40 114.97 3fhb s VAL 311 Ca 0.08 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.51 3fhb s VAL 311 Cb -0.08 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.16 3fhb s VAL 311 CO -0.01 -0.16 1.07 -2.84 -0.31 0.00 0.00 175.10 172.85 3fhb s PRO 312 N -3.03 2.75 0.32 4.82 0.02 -1.26 -0.89 135.00 137.72 3fhb s PRO 312 Ca 0.27 0.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.00 3fhb s PRO 312 Cb -0.08 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 3fhb s PRO 312 CO 0.17 -1.24 1.29 1.58 -0.33 0.00 0.00 177.00 178.47 3fhb n HIS 313 N -3.23 2.18 -0.17 6.54 -0.00 -1.16 -4.56 115.22 114.82 3fhb n HIS 313 Ca 0.08 0.54 0.26 0.00 -0.00 0.00 0.00 57.72 58.60 3fhb n HIS 313 Cb 0.53 -2.41 0.69 0.00 -0.00 0.00 0.00 29.99 28.80 3fhb n HIS 313 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3fhb h PRO 314 N 2.82 0.06 -0.02 1.57 0.10 -1.93 0.09 132.00 134.69 3fhb h PRO 314 Ca -0.45 -0.00 -0.19 0.00 0.10 0.00 0.00 66.00 65.45 3fhb h PRO 314 Cb 1.29 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 32.36 3fhb h PRO 314 CO 0.65 0.04 -0.81 -0.07 0.10 0.00 0.00 178.00 177.90 3fhb h LEU 315 N 0.06 0.34 -0.39 2.35 3.38 -1.98 -1.99 115.31 117.08 3fhb h LEU 315 Ca 0.41 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3fhb h LEU 315 Cb 1.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3fhb h LEU 315 CO -0.03 1.01 -0.16 0.44 0.09 0.00 0.00 178.44 179.79 3fhb h ASP 316 N 0.17 0.81 -0.21 -0.43 3.32 -1.40 -0.64 116.42 118.04 3fhb h ASP 316 Ca -0.04 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.64 3fhb h ASP 316 Cb 1.41 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3fhb h ASP 316 CO 0.13 1.02 0.07 -0.09 -1.72 0.00 0.00 179.24 178.65 3fhb h ARG 317 N 0.60 0.16 -0.57 3.56 2.43 -1.10 0.54 114.38 120.01 3fhb h ARG 317 Ca 0.09 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3fhb h ARG 317 Cb 0.70 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3fhb h ARG 317 CO 0.05 0.11 0.01 -0.44 -1.51 0.00 0.00 179.97 178.19 3fhb h ASP 318 N 0.17 0.97 -0.63 -3.80 3.32 -1.29 0.80 116.42 115.96 3fhb h ASP 318 Ca 0.09 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3fhb h ASP 318 Cb 0.07 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3fhb h ASP 318 CO -0.10 1.04 0.32 0.22 -1.72 0.00 0.00 179.24 179.00 3fhb h TYR 319 N 0.88 0.89 -0.73 4.55 3.20 -0.98 -2.91 116.97 121.86 3fhb h TYR 319 Ca 0.16 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3fhb h TYR 319 Cb 0.53 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3fhb h TYR 319 CO 0.04 0.65 0.41 1.96 -1.64 0.00 0.00 178.16 179.58 3fhb h GLN 320 N 0.86 1.00 -0.15 1.82 4.20 -0.25 -2.36 115.11 120.25 3fhb h GLN 320 Ca 0.22 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.87 3fhb h GLN 320 Cb 0.08 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3fhb h GLN 320 CO -0.03 0.73 0.11 -0.07 -0.67 0.00 0.00 178.83 178.90 3fhb h LEU 321 N 1.01 0.00 -1.84 1.46 3.38 -0.66 -1.81 115.31 116.86 3fhb h LEU 321 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3fhb h LEU 321 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fhb h LEU 321 CO -0.04 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.33 3fhb h LEU 322 N 0.00 0.00 -2.09 1.67 3.38 -1.40 -3.47 115.31 113.39 3fhb h LEU 322 Ca 0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.50 3fhb h LEU 322 Cb 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 3fhb h LEU 322 CO -0.00 0.09 -0.92 0.29 0.09 0.00 0.00 178.44 177.99 3fhb n LYS 323 N -3.39 -2.28 -3.70 1.13 5.02 -0.68 -4.31 118.16 109.95 3fhb n LYS 323 Ca -0.01 0.28 -0.10 0.00 -2.02 0.00 0.00 58.31 56.46 3fhb n LYS 323 Cb 0.26 -4.11 -0.11 0.00 -0.02 0.00 0.00 35.03 31.06 3fhb n LYS 323 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fhb s GLN 325 N 1.36 4.46 -0.12 0.00 0.74 -0.50 -4.93 119.66 120.68 3fhb s GLN 325 Ca -0.09 1.00 0.01 0.00 0.05 0.00 0.00 55.36 56.32 3fhb s GLN 325 Cb -0.08 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.68 3fhb s GLN 325 CO -0.12 0.28 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.27 3fhb s LEU 326 N -0.02 1.53 -0.19 3.68 1.43 -1.26 -1.06 118.68 122.79 3fhb s LEU 326 Ca 0.37 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3fhb s LEU 326 Cb -0.20 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.06 3fhb s LEU 326 CO 0.22 -0.04 -0.12 -1.10 0.23 0.00 0.00 176.35 175.54 3fhb s GLN 327 N 1.31 2.15 0.24 1.70 -1.52 -0.19 -4.94 119.66 118.42 3fhb s GLN 327 Ca -0.01 -0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 52.27 3fhb s GLN 327 Cb -0.14 -2.41 -0.10 0.00 -0.22 0.00 0.00 33.01 30.15 3fhb s GLN 327 CO -0.05 -0.39 1.46 -1.17 -0.25 0.00 0.00 175.29 174.89 3fhb s LEU 328 N 1.39 4.38 -0.07 2.90 2.96 -1.26 0.02 118.68 129.00 3fhb s LEU 328 Ca -0.00 2.68 -0.11 0.00 -0.22 0.00 0.00 54.13 56.48 3fhb s LEU 328 Cb -0.16 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 3fhb s LEU 328 CO -0.09 -0.73 0.28 -0.76 -1.32 0.00 0.00 176.35 173.73 3fhb s LEU 329 N -0.22 4.42 0.42 -0.68 1.43 -0.08 -4.89 118.68 119.08 3fhb s LEU 329 Ca 0.61 0.70 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 3fhb s LEU 329 Cb -0.42 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.47 3fhb s LEU 329 CO 0.42 0.35 0.53 1.51 0.23 0.00 0.00 176.35 179.39 3fhb s ASP 330 N -0.94 5.49 0.36 2.29 -4.77 -1.26 -4.59 116.67 113.25 3fhb s ASP 330 Ca 0.19 -0.51 0.26 0.00 -3.30 0.00 0.00 52.55 49.19 3fhb s ASP 330 Cb -0.14 -0.61 1.27 0.00 -1.09 0.00 0.00 42.92 42.34 3fhb s ASP 330 CO 0.08 -0.75 1.79 0.77 0.70 0.00 0.00 175.17 177.76 3fhb h SER 331 N 0.73 0.00 -0.38 2.11 4.64 -2.00 -0.61 113.55 118.03 3fhb h SER 331 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3fhb h SER 331 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3fhb h SER 331 CO 0.48 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 3fhb n GLY 332 N -0.73 3.48 3.77 -0.77 0.00 -1.26 -4.71 105.19 104.97 3fhb n GLY 332 Ca -0.00 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 3fhb n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhb s ALA 333 N -2.41 3.19 0.31 4.61 0.00 -0.24 -4.93 121.76 122.29 3fhb s ALA 333 Ca 0.43 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.65 3fhb s ALA 333 Cb 0.32 -3.48 0.68 0.00 0.00 0.00 0.00 23.12 20.63 3fhb s ALA 333 CO 0.13 -0.86 1.85 -1.35 0.00 0.00 0.00 175.76 175.53 3fhb h PRO 334 N 2.49 0.83 0.00 0.00 0.11 -1.94 -1.08 132.00 132.41 3fhb h PRO 334 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3fhb h PRO 334 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fhb h PRO 334 CO 0.62 0.55 -0.52 1.05 -0.21 0.00 0.00 178.00 179.49 3fhb h GLU 335 N 0.86 0.00 -0.55 1.05 9.09 -1.97 -3.42 114.58 119.64 3fhb h GLU 335 Ca 0.48 0.00 0.11 0.00 0.05 0.00 0.00 59.36 60.00 3fhb h GLU 335 Cb 0.61 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.61 3fhb h GLU 335 CO -0.25 0.00 -0.13 -0.92 0.05 0.00 0.00 179.01 177.76 3fhb h TYR 336 N 0.00 -0.28 -0.27 2.06 3.20 -1.52 -1.61 116.97 118.55 3fhb h TYR 336 Ca 0.00 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3fhb h TYR 336 Cb 0.78 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3fhb h TYR 336 CO 0.00 -0.23 -0.38 -0.22 -1.64 0.00 0.00 178.16 175.69 3fhb h LYS 337 N 0.00 0.63 -0.17 1.82 1.63 -1.80 -1.79 116.57 116.89 3fhb h LYS 337 Ca 0.26 -0.31 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3fhb h LYS 337 Cb 0.40 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 3fhb h LYS 337 CO -0.56 0.91 -0.11 0.28 -3.45 0.00 0.00 179.45 176.52 3fhb h VAL 338 N 0.52 0.68 -0.55 2.00 2.07 -1.61 -0.36 116.25 119.01 3fhb h VAL 338 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3fhb h VAL 338 Cb 0.89 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3fhb h VAL 338 CO 0.08 0.00 0.18 0.40 0.02 0.00 0.00 177.57 178.25 3fhb h ILE 339 N -0.10 1.23 -0.57 4.57 2.04 -1.19 -0.73 117.51 122.76 3fhb h ILE 339 Ca 0.10 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3fhb h ILE 339 Cb 0.25 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3fhb h ILE 339 CO -0.23 0.29 0.27 -0.61 0.00 0.00 0.00 178.15 177.87 3fhb h GLN 340 N 0.76 0.82 -0.37 2.37 4.15 -1.21 0.54 115.11 122.18 3fhb h GLN 340 Ca 0.18 -0.12 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 3fhb h GLN 340 Cb 0.26 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3fhb h GLN 340 CO -0.01 0.68 -0.34 1.15 -1.93 0.00 0.00 178.83 178.38 3fhb h THR 341 N 0.77 1.28 -0.31 2.39 2.02 -0.85 -1.09 112.91 117.12 3fhb h THR 341 Ca 0.20 -1.50 0.05 0.00 0.77 0.00 0.00 66.41 65.92 3fhb h THR 341 Cb 0.13 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3fhb h THR 341 CO -0.02 0.50 0.04 0.22 0.37 0.00 0.00 175.52 176.63 3fhb h TYR 342 N 0.71 0.07 0.20 3.16 3.20 -0.77 0.10 116.97 123.64 3fhb h TYR 342 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3fhb h TYR 342 Cb 0.90 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3fhb h TYR 342 CO 0.05 -0.00 -0.18 1.25 -1.64 0.00 0.00 178.16 177.65 3fhb h LEU 343 N 0.15 -0.46 -0.17 2.82 5.85 -0.74 -2.67 115.31 120.09 3fhb h LEU 343 Ca 0.14 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3fhb h LEU 343 Cb 0.17 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3fhb h LEU 343 CO -0.21 -0.27 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.04 3fhb h GLU 344 N -0.40 0.46 -0.02 1.25 5.08 -1.01 0.54 114.58 120.48 3fhb h GLU 344 Ca -0.00 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3fhb h GLU 344 Cb 0.36 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3fhb h GLU 344 CO -0.03 0.87 -0.59 1.96 -1.00 0.00 0.00 179.01 180.22 3fhb h GLN 345 N 0.10 0.07 -0.02 2.33 1.08 -1.04 -3.20 115.11 114.43 3fhb h GLN 345 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3fhb h GLN 345 Cb 0.83 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 3fhb h GLN 345 CO 0.06 0.65 -0.11 0.25 -0.95 0.00 0.00 178.83 178.72 3fhb n THR 346 N -3.85 0.00 -1.74 -0.54 -2.24 -1.01 -4.17 114.28 100.74 3fhb n THR 346 Ca -0.02 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 3fhb n THR 346 Cb 0.60 1.29 0.13 0.00 -2.10 0.00 0.00 70.33 70.25 3fhb n THR 346 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fhb s GLY 347 N -1.56 1.61 0.34 3.38 0.00 0.18 -2.19 107.32 109.07 3fhb s GLY 347 Ca 0.17 -0.68 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 3fhb s GLY 347 CO 0.27 -0.12 1.34 -1.35 0.00 0.00 0.00 173.10 173.25 3fhb s SER 348 N -4.38 6.66 0.10 1.64 1.04 -1.26 -4.76 113.70 112.74 3fhb s SER 348 Ca 0.65 2.75 -0.23 0.00 0.48 0.00 0.00 55.95 59.60 3fhb s SER 348 Cb -0.11 -2.65 -0.11 0.00 0.10 0.00 0.00 66.02 63.25 3fhb s SER 348 CO 0.51 -0.62 1.71 0.78 0.98 0.00 0.00 173.24 176.61 3fhb h ASN 349 N 3.26 -0.17 0.00 7.02 4.21 -1.95 -3.26 115.58 124.69 3fhb h ASN 349 Ca -0.49 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3fhb h ASN 349 Cb 1.23 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 3fhb h ASN 349 CO 0.65 -0.09 -0.08 -0.74 -1.29 0.00 0.00 177.43 175.88 3fhb h HIS 350 N -0.10 0.00 0.00 1.19 2.76 -2.01 -3.41 115.15 113.58 3fhb h HIS 350 Ca 0.03 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.94 3fhb h HIS 350 Cb 0.14 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 3fhb h HIS 350 CO -0.14 0.00 0.56 0.54 -1.30 0.00 0.00 177.93 177.59 3fhb n ARG 351 N -2.82 2.07 -2.66 5.26 3.00 -1.26 -4.94 116.66 115.31 3fhb n ARG 351 Ca -0.01 -1.11 -0.41 0.00 -0.01 0.00 0.00 57.85 56.31 3fhb n ARG 351 Cb 0.04 -2.10 -0.05 0.00 0.00 0.00 0.00 32.46 30.35 3fhb n ARG 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fhb s PRO 353 N -0.74 4.40 -0.24 0.00 0.02 -1.26 -4.96 135.00 132.22 3fhb s PRO 353 Ca 0.45 2.08 -0.20 0.00 0.02 0.00 0.00 61.00 63.35 3fhb s PRO 353 Cb -0.27 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 3fhb s PRO 353 CO 0.33 -0.18 0.63 0.99 -0.33 0.00 0.00 177.00 178.43 3fhb s THR 354 N -0.43 4.99 0.04 0.99 2.01 0.14 -4.89 115.64 118.50 3fhb s THR 354 Ca 0.53 1.13 -0.31 0.00 0.31 0.00 0.00 61.69 63.36 3fhb s THR 354 Cb -0.37 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 3fhb s THR 354 CO 0.43 0.05 1.39 -0.22 -0.69 0.00 0.00 174.62 175.58 3fhb s LEU 355 N 2.38 4.34 -0.11 4.42 2.96 -1.26 0.41 118.68 131.82 3fhb s LEU 355 Ca 0.26 2.18 -0.08 0.00 -0.22 0.00 0.00 54.13 56.28 3fhb s LEU 355 Cb -0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3fhb s LEU 355 CO 0.09 -0.68 -0.18 0.00 -1.32 0.00 0.00 176.35 174.25 3fhb n GLN 356 N 4.82 0.29 -3.87 1.98 1.13 -0.11 -4.91 117.38 116.72 3fhb n GLN 356 Ca 0.12 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.20 3fhb n GLN 356 Cb 0.43 -1.00 -0.09 0.00 0.11 0.00 0.00 30.24 29.69 3fhb n GLN 356 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3fhb s HIS 357 N -2.33 0.06 -0.08 1.08 3.76 -1.16 -4.99 115.29 111.63 3fhb s HIS 357 Ca -0.18 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 3fhb s HIS 357 Cb 0.06 -0.05 -0.00 0.00 1.11 0.00 0.00 32.58 33.69 3fhb s HIS 357 CO 0.24 -0.34 -0.23 0.42 -0.85 0.00 0.00 174.74 173.99 3fhb s ILE 358 N -1.84 1.91 -0.09 0.60 1.01 -1.26 -0.79 121.20 120.75 3fhb s ILE 358 Ca -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3fhb s ILE 358 Cb -0.05 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3fhb s ILE 358 CO -0.00 0.53 -0.07 0.26 0.00 0.00 0.00 174.94 175.65 3fhb s TRP 359 N 0.19 2.93 0.19 3.97 0.51 0.15 -0.91 118.94 125.97 3fhb s TRP 359 Ca -0.13 -0.10 -0.30 0.00 -2.12 0.00 0.00 56.10 53.46 3fhb s TRP 359 Cb -0.16 -1.76 -0.08 0.00 -0.81 0.00 0.00 33.47 30.67 3fhb s TRP 359 CO 0.06 0.22 1.02 0.21 -0.51 0.00 0.00 176.95 177.95 3fhb s LYS 360 N -0.52 4.70 -0.14 4.98 2.20 0.10 -0.59 119.74 130.47 3fhb s LYS 360 Ca 0.08 1.60 0.02 0.00 -0.36 0.00 0.00 55.97 57.30 3fhb s LYS 360 Cb -0.12 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3fhb s LYS 360 CO 0.02 0.25 -0.21 0.08 -0.36 0.00 0.00 175.35 175.13 3fhb s VAL 361 N -0.55 2.20 -0.45 4.02 1.01 0.21 -1.02 120.40 125.83 3fhb s VAL 361 Ca 0.46 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3fhb s VAL 361 Cb -0.27 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.36 3fhb s VAL 361 CO 0.34 0.54 0.27 0.21 0.00 0.00 0.00 175.10 176.46 3fhb s ASN 362 N 0.75 3.45 -0.01 3.32 2.47 -0.22 -4.11 114.94 120.59 3fhb s ASN 362 Ca -0.08 -2.73 -0.30 0.00 0.42 0.00 0.00 52.86 50.17 3fhb s ASN 362 Cb -0.16 -0.96 -0.04 0.00 -1.45 0.00 0.00 41.25 38.64 3fhb s ASN 362 CO -0.00 -0.25 1.18 -1.58 -3.72 0.00 0.00 177.10 172.73 3fhb s GLN 363 N 0.25 4.40 0.31 0.43 0.74 -1.26 -1.42 119.66 123.11 3fhb s GLN 363 Ca 0.20 1.68 -0.17 0.00 0.05 0.00 0.00 55.36 57.12 3fhb s GLN 363 Cb -0.20 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 3fhb s GLN 363 CO -0.03 -0.35 0.76 -1.21 -0.55 0.00 0.00 175.29 173.91 3fhb s GLU 364 N 1.71 4.09 0.00 1.67 2.02 -1.26 -3.56 118.70 123.38 3fhb s GLU 364 Ca 0.56 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.33 3fhb s GLU 364 Cb -0.26 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3fhb s GLU 364 CO 0.25 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3fhb n GLY 365 N -0.15 2.95 0.32 -1.39 0.00 -1.26 -4.68 105.19 100.98 3fhb n GLY 365 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 3fhb n GLY 365 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fhb h GLU 366 N 1.49 0.64 -0.97 1.61 4.81 -1.99 -3.29 114.58 116.89 3fhb h GLU 366 Ca 0.00 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 3fhb h GLU 366 Cb 0.00 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.15 3fhb h GLU 366 CO 0.00 0.43 0.61 1.49 -0.73 0.00 0.00 179.01 180.81 3fhb h GLU 367 N 0.66 0.85 0.20 1.92 4.81 -1.84 -2.50 114.58 118.69 3fhb h GLU 367 Ca 0.18 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 59.04 3fhb h GLU 367 Cb -0.07 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.14 3fhb h GLU 367 CO -0.04 0.56 -1.43 -0.44 -0.73 0.00 0.00 179.01 176.94 3fhb h ASP 368 N 0.88 0.67 -0.44 1.04 3.32 -1.96 -1.54 116.42 118.39 3fhb h ASP 368 Ca 0.49 -0.74 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3fhb h ASP 368 Cb 0.60 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3fhb h ASP 368 CO -0.26 1.59 0.21 0.03 -1.72 0.00 0.00 179.24 179.08 3fhb h ARG 369 N 0.12 0.64 -0.39 3.56 -0.00 -1.66 -3.02 114.38 113.63 3fhb h ARG 369 Ca -0.22 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 59.11 3fhb h ARG 369 Cb 2.10 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 31.93 3fhb h ARG 369 CO 0.24 0.55 0.02 0.35 0.00 0.00 0.00 179.97 181.13 3fhb h PHE 370 N 0.57 0.63 -0.25 3.04 3.57 -1.47 -2.20 116.94 120.83 3fhb h PHE 370 Ca 0.15 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3fhb h PHE 370 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3fhb h PHE 370 CO -0.01 0.59 0.22 1.96 -2.23 0.00 0.00 178.31 178.84 3fhb h GLN 371 N 0.58 0.00 0.00 1.11 1.08 -1.14 -1.93 115.11 114.80 3fhb h GLN 371 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3fhb h GLN 371 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3fhb h GLN 371 CO 0.01 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.89 3fhb n ALA 372 N -2.45 2.26 -2.01 3.87 0.00 -0.83 -2.62 120.51 118.74 3fhb n ALA 372 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.47 3fhb n ALA 372 Cb 0.36 -1.10 0.12 0.00 0.00 0.00 0.00 19.45 18.83 3fhb n ALA 372 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fhb n HIS 373 N -0.64 0.15 0.08 0.00 8.25 -0.72 -4.90 115.22 117.44 3fhb n HIS 373 Ca 0.05 -1.15 -0.10 0.00 -0.26 0.00 0.00 57.72 56.26 3fhb n HIS 373 Cb 0.02 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 3fhb n HIS 373 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3fhb h SER 374 N 1.10 0.24 1.11 0.41 0.87 -1.65 -2.42 113.55 113.21 3fhb h SER 374 Ca -0.08 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3fhb h SER 374 Cb 1.39 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3fhb h SER 374 CO 0.08 1.09 -0.03 2.29 -0.53 0.00 0.00 176.83 179.73 3fhb n LYS 375 N -3.56 0.08 -2.13 2.24 2.85 -1.26 -4.74 118.16 111.64 3fhb n LYS 375 Ca -0.04 0.06 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 3fhb n LYS 375 Cb 0.89 -1.59 -0.03 0.00 -0.65 0.00 0.00 35.03 33.66 3fhb n LYS 375 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3fhb s LEU 376 N -3.45 4.30 0.00 -5.58 2.96 -0.91 -5.02 118.68 110.98 3fhb s LEU 376 Ca 0.13 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 3fhb s LEU 376 Cb 0.17 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3fhb s LEU 376 CO 0.56 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3fhb n GLY 377 N 3.89 1.66 3.20 7.98 0.00 -1.26 -4.85 105.19 115.82 3fhb n GLY 377 Ca 0.15 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 3fhb n GLY 377 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fhb n ASN 378 N -0.46 -7.10 -4.81 1.61 5.15 -1.26 -2.06 115.26 106.33 3fhb n ASN 378 Ca 0.00 -0.40 -0.36 0.00 -0.60 0.00 0.00 54.58 53.22 3fhb n ASN 378 Cb 0.00 -4.99 -0.07 0.00 -0.53 0.00 0.00 39.78 34.18 3fhb n ASN 378 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3fhb s ARG 379 N -3.78 3.47 0.02 1.20 0.52 -1.26 -0.55 118.95 118.57 3fhb s ARG 379 Ca 0.20 -0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3fhb s ARG 379 Cb -0.03 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3fhb s ARG 379 CO 0.76 0.68 -0.05 0.21 0.02 0.00 0.00 175.30 176.93 3fhb s LYS 380 N -0.77 0.37 -0.28 3.54 2.20 -0.41 -1.27 119.74 123.12 3fhb s LYS 380 Ca 0.13 -0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 3fhb s LYS 380 Cb -0.12 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.07 3fhb s LYS 380 CO 0.03 0.01 0.59 -1.17 -0.36 0.00 0.00 175.35 174.45 3fhb s LEU 381 N -1.20 4.11 0.10 5.43 2.96 -0.23 -0.55 118.68 129.31 3fhb s LEU 381 Ca -0.10 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 3fhb s LEU 381 Cb -0.08 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 3fhb s LEU 381 CO -0.00 -0.40 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.66 3fhb s LEU 382 N 2.48 2.29 0.47 -0.68 1.43 -0.02 -4.75 118.68 119.90 3fhb s LEU 382 Ca 0.24 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 3fhb s LEU 382 Cb -0.15 -0.87 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 3fhb s LEU 382 CO 0.10 0.06 1.01 0.26 0.23 0.00 0.00 176.35 178.01 3fhb s TRP 383 N -1.15 3.11 -0.24 0.29 0.52 0.64 -1.28 118.94 120.82 3fhb s TRP 383 Ca 0.06 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.74 3fhb s TRP 383 Cb -0.10 -2.99 0.12 0.00 -1.15 0.00 0.00 33.47 29.36 3fhb s TRP 383 CO 0.04 -0.58 0.31 -1.58 0.02 0.00 0.00 176.95 175.16 3fhb s HIS 384 N -2.07 -0.59 0.21 -1.98 2.46 -0.50 -1.30 115.29 111.53 3fhb s HIS 384 Ca 0.65 0.41 -0.15 0.00 0.47 0.00 0.00 55.06 56.44 3fhb s HIS 384 Cb -0.14 -0.21 -0.08 0.00 -0.13 0.00 0.00 32.58 32.03 3fhb s HIS 384 CO 0.18 -0.74 0.64 0.20 -2.47 0.00 0.00 174.74 172.55 3fhb s GLY 385 N 2.44 2.46 0.24 1.59 0.00 -1.25 -1.59 107.32 111.20 3fhb s GLY 385 Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.68 3fhb s GLY 385 CO -0.19 0.25 0.43 -0.51 0.00 0.00 0.00 173.10 173.08 3fhb s THR 386 N -1.62 0.00 0.51 0.90 -4.23 -1.22 -4.57 115.64 105.41 3fhb s THR 386 Ca 0.44 -1.46 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 3fhb s THR 386 Cb -0.14 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.43 3fhb s THR 386 CO 0.20 -0.02 0.94 0.54 -0.54 0.00 0.00 174.62 175.74 3fhb s ASN 387 N -3.03 6.51 0.58 3.99 2.20 -1.24 -3.29 114.94 120.66 3fhb s ASN 387 Ca 0.24 1.42 0.28 0.00 -0.94 0.00 0.00 52.86 53.86 3fhb s ASN 387 Cb 0.00 -2.45 1.53 0.00 -2.00 0.00 0.00 41.25 38.33 3fhb s ASN 387 CO 0.09 -0.60 1.97 -0.03 -2.94 0.00 0.00 177.10 175.58 3fhb h MET 388 N 0.72 0.00 0.00 3.55 1.85 -1.75 -2.05 114.93 117.24 3fhb h MET 388 Ca -0.46 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 3fhb h MET 388 Cb 1.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 3fhb h MET 388 CO 0.62 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 177.13 3fhb h ALA 389 N 1.58 1.00 -0.02 0.39 0.00 -1.91 -3.06 119.26 117.24 3fhb h ALA 389 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fhb h ALA 389 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fhb h ALA 389 CO -0.00 0.00 -0.06 1.33 0.00 0.00 0.00 179.25 180.52 3fhb n VAL 390 N -2.93 0.00 -0.18 0.00 0.24 -0.77 -4.31 118.33 110.37 3fhb n VAL 390 Ca 0.02 -0.47 -0.05 0.00 -2.04 0.00 0.00 64.34 61.80 3fhb n VAL 390 Cb 0.37 1.35 0.13 0.00 -1.47 0.00 0.00 33.84 34.21 3fhb n VAL 390 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3fhb h VAL 391 N 3.27 1.25 -0.32 3.34 2.07 -1.58 -0.99 116.25 123.29 3fhb h VAL 391 Ca 0.00 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 3fhb h VAL 391 Cb 0.73 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3fhb h VAL 391 CO 0.00 0.34 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 3fhb h ALA 392 N 1.23 0.45 -0.47 1.67 0.00 -1.81 -1.61 119.26 118.71 3fhb h ALA 392 Ca 0.20 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3fhb h ALA 392 Cb 0.34 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3fhb h ALA 392 CO 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 3fhb h ALA 393 N 0.75 0.42 -0.42 0.00 0.00 -1.75 -1.31 119.26 116.95 3fhb h ALA 393 Ca 0.06 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fhb h ALA 393 Cb 0.76 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3fhb h ALA 393 CO 0.06 -0.40 0.01 0.82 0.00 0.00 0.00 179.25 179.73 3fhb h ILE 394 N 0.08 1.26 0.00 0.00 2.04 -0.99 -0.09 117.51 119.80 3fhb h ILE 394 Ca 0.24 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3fhb h ILE 394 Cb 0.36 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3fhb h ILE 394 CO -0.42 0.34 -0.05 -0.07 0.00 0.00 0.00 178.15 177.95 3fhb h LEU 395 N 0.57 0.00 0.13 1.44 3.38 -1.17 0.25 115.31 119.91 3fhb h LEU 395 Ca 0.12 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 3fhb h LEU 395 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3fhb h LEU 395 CO 0.02 0.05 -1.70 0.74 0.09 0.00 0.00 178.44 177.64 3fhb h THR 396 N 0.00 0.86 0.00 0.22 2.02 -0.64 -3.42 112.91 111.95 3fhb h THR 396 Ca -0.00 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 3fhb h THR 396 Cb 0.16 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3fhb h THR 396 CO 0.01 0.79 0.00 -1.20 0.37 0.00 0.00 175.52 175.49 3fhb n SER 397 N -3.72 0.07 0.00 4.18 7.64 -0.10 -4.96 113.62 116.73 3fhb n SER 397 Ca -0.28 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.07 3fhb n SER 397 Cb 0.99 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 65.12 3fhb n SER 397 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fhb n GLY 398 N 0.93 -0.43 3.75 0.23 0.00 0.87 -4.85 105.19 105.69 3fhb n GLY 398 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3fhb n GLY 398 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fhb s LEU 399 N -1.56 4.51 0.09 0.99 1.43 -1.26 -4.38 118.68 118.50 3fhb s LEU 399 Ca 0.00 2.21 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 3fhb s LEU 399 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3fhb s LEU 399 CO 0.00 -0.23 -0.15 -0.13 0.23 0.00 0.00 176.35 176.07 3fhb s ARG 400 N -0.82 0.93 -0.47 1.70 0.52 -1.26 -4.87 118.95 114.67 3fhb s ARG 400 Ca 0.48 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 3fhb s ARG 400 Cb -0.31 -0.92 0.10 0.00 0.52 0.00 0.00 34.95 34.34 3fhb s ARG 400 CO 0.38 0.20 0.36 0.42 0.02 0.00 0.00 175.30 176.68 3fhb s ILE 401 N -1.56 4.57 0.54 1.52 1.01 -1.26 -4.84 121.20 121.18 3fhb s ILE 401 Ca 0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.11 3fhb s ILE 401 Cb -0.08 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3fhb s ILE 401 CO 0.03 -0.69 0.83 -0.04 0.00 0.00 0.00 174.94 175.07 3fhb s MET 402 N 1.47 3.16 0.38 2.79 -1.94 -1.26 -5.00 119.30 118.89 3fhb s MET 402 Ca 0.04 0.01 0.05 0.00 -1.71 0.00 0.00 55.69 54.08 3fhb s MET 402 Cb -0.26 -2.34 0.74 0.00 2.01 0.00 0.00 34.83 34.98 3fhb s MET 402 CO 0.02 -0.48 2.03 -1.35 -0.01 0.00 0.00 175.02 175.23 3fhb h PRO 403 N 0.03 0.70 -0.58 2.03 0.11 -2.02 -2.82 132.00 129.45 3fhb h PRO 403 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fhb h PRO 403 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fhb h PRO 403 CO 0.61 0.46 0.00 0.72 -0.21 0.00 0.00 178.00 179.58 3fhb n HIS 404 N -4.46 1.08 -1.65 0.65 8.25 -1.26 -5.00 115.22 112.85 3fhb n HIS 404 Ca 0.05 -0.58 -0.31 0.00 -0.26 0.00 0.00 57.72 56.62 3fhb n HIS 404 Cb 0.06 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.08 3fhb n HIS 404 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fhb s SER 405 N -1.04 5.38 0.00 0.41 1.04 -1.07 -4.80 113.70 113.62 3fhb s SER 405 Ca 0.44 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3fhb s SER 405 Cb 0.27 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3fhb s SER 405 CO 0.24 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.63 3fhb n GLY 406 N -1.68 -1.23 0.00 7.32 0.00 -1.26 -4.66 105.19 103.68 3fhb n GLY 406 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3fhb n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhb n GLY 407 N -0.01 -0.56 0.18 -0.02 0.00 -1.24 -4.88 105.19 98.65 3fhb n GLY 407 Ca 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 44.80 3fhb n GLY 407 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fhb h ARG 408 N 1.22 0.00 0.00 1.61 3.08 -1.91 -0.91 114.38 117.47 3fhb h ARG 408 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3fhb h ARG 408 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3fhb h ARG 408 CO 0.00 0.00 -0.31 0.28 -1.07 0.00 0.00 179.97 178.87 3fhb n VAL 409 N -2.50 1.76 -4.11 2.04 0.31 -1.26 -0.86 118.33 113.71 3fhb n VAL 409 Ca 0.02 -2.43 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 3fhb n VAL 409 Cb 0.25 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3fhb n VAL 409 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fhb n GLY 410 N -1.08 -0.15 3.18 2.92 0.00 -0.35 -4.56 105.19 105.15 3fhb n GLY 410 Ca 0.15 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3fhb n GLY 410 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fhb n LYS 411 N 1.35 3.62 0.00 1.61 4.81 0.98 -3.66 118.16 126.88 3fhb n LYS 411 Ca 0.00 -4.50 0.00 0.00 -0.87 0.00 0.00 58.31 52.94 3fhb n LYS 411 Cb 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.54 3fhb n LYS 411 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fhb n GLY 412 N 2.17 3.62 3.67 3.14 0.00 -1.26 -4.77 105.19 111.76 3fhb n GLY 412 Ca 0.24 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3fhb n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fhb s ILE 413 N -2.20 5.34 -0.14 -0.61 1.01 -0.68 -4.86 121.20 119.06 3fhb s ILE 413 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3fhb s ILE 413 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3fhb s ILE 413 CO 0.00 0.34 0.43 -0.31 0.00 0.00 0.00 174.94 175.40 3fhb s TYR 414 N 1.00 3.49 0.11 3.97 1.51 -1.26 -3.21 117.35 122.95 3fhb s TYR 414 Ca 0.10 0.80 0.03 0.00 -1.01 0.00 0.00 57.07 56.99 3fhb s TYR 414 Cb -0.13 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 3fhb s TYR 414 CO 0.04 0.17 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.50 3fhb s PHE 415 N 0.65 1.04 0.03 2.71 0.08 -0.35 -4.77 117.98 117.37 3fhb s PHE 415 Ca 0.23 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.57 3fhb s PHE 415 Cb -0.15 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3fhb s PHE 415 CO 0.08 -0.03 -0.10 0.00 -0.10 0.00 0.00 175.22 175.08 3fhb s ALA 416 N -2.93 0.81 -0.73 5.36 0.00 -0.42 0.24 121.76 124.08 3fhb s ALA 416 Ca 0.09 -0.66 0.26 0.00 0.00 0.00 0.00 51.96 51.65 3fhb s ALA 416 Cb 0.00 -0.10 0.71 0.00 0.00 0.00 0.00 23.12 23.74 3fhb s ALA 416 CO -0.01 0.12 1.66 -1.13 0.00 0.00 0.00 175.76 176.40 3fhb n SER 417 N 2.03 0.73 -4.36 0.00 3.41 -1.26 -0.26 113.62 113.90 3fhb n SER 417 Ca -0.18 0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 58.47 3fhb n SER 417 Cb 0.55 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 3fhb n SER 417 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3fhb s GLU 418 N -3.11 2.85 0.27 4.33 2.02 -1.26 -4.83 118.70 118.97 3fhb s GLU 418 Ca 0.10 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 3fhb s GLU 418 Cb 0.13 -3.64 0.60 0.00 0.10 0.00 0.00 34.13 31.32 3fhb s GLU 418 CO 0.63 -0.65 1.63 -0.97 0.02 0.00 0.00 175.26 175.91 3fhb h ASN 419 N 8.38 -0.25 -0.62 -0.19 -0.73 -1.81 0.61 115.58 120.97 3fhb h ASN 419 Ca -0.26 0.21 0.11 0.00 1.87 0.00 0.00 56.30 58.24 3fhb h ASN 419 Cb 1.10 0.35 -0.04 0.00 0.27 0.00 0.00 38.32 40.00 3fhb h ASN 419 CO 0.65 -0.21 0.42 0.77 -0.37 0.00 0.00 177.43 178.69 3fhb h SER 420 N 0.12 0.34 0.22 1.15 4.64 -1.74 0.38 113.55 118.65 3fhb h SER 420 Ca 0.50 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 3fhb h SER 420 Cb 0.97 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3fhb h SER 420 CO -0.72 0.20 -0.10 0.50 -0.87 0.00 0.00 176.83 175.84 3fhb h LYS 421 N 0.37 -0.28 -0.01 4.77 1.63 -1.17 -3.15 116.57 118.73 3fhb h LYS 421 Ca 0.29 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 60.06 3fhb h LYS 421 Cb 0.64 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 3fhb h LYS 421 CO -0.08 0.02 -0.25 0.77 -3.45 0.00 0.00 179.45 176.46 3fhb h SER 422 N -0.58 0.01 -0.07 4.20 0.02 -1.16 -2.71 113.55 113.26 3fhb h SER 422 Ca -0.03 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3fhb h SER 422 Cb 0.43 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3fhb h SER 422 CO 0.05 0.26 -0.01 0.00 -1.14 0.00 0.00 176.83 175.99 3fhb h ALA 423 N 1.74 1.68 -0.18 3.77 0.00 -0.28 -1.18 119.26 124.80 3fhb h ALA 423 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3fhb h ALA 423 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fhb h ALA 423 CO 0.03 0.25 0.28 0.78 0.00 0.00 0.00 179.25 180.59 3fhb h GLY 424 N 0.52 0.00 -1.29 0.00 0.00 -1.44 -2.31 103.07 98.55 3fhb h GLY 424 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3fhb h GLY 424 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3fhb n TYR 425 N -3.50 0.10 -2.58 5.60 4.01 -0.45 -4.92 117.16 115.41 3fhb n TYR 425 Ca 0.02 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 3fhb n TYR 425 Cb 0.39 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 3fhb n TYR 425 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3fhb s VAL 426 N -1.21 4.49 -0.31 -0.72 1.01 -0.87 -3.37 120.40 119.41 3fhb s VAL 426 Ca 0.20 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3fhb s VAL 426 Cb 0.13 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.43 3fhb s VAL 426 CO 0.19 0.14 0.01 -0.63 0.00 0.00 0.00 175.10 174.82 3fhb s ILE 427 N 1.01 2.68 0.00 2.22 -1.09 -1.21 -4.90 121.20 119.91 3fhb s ILE 427 Ca 0.55 -1.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 3fhb s ILE 427 Cb -0.25 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 3fhb s ILE 427 CO 0.29 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3fhb n GLY 428 N 4.49 0.89 3.09 6.18 0.00 -1.26 -1.99 105.19 116.59 3fhb n GLY 428 Ca -0.08 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 3fhb n GLY 428 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fhb s MET 429 N -2.02 0.37 -0.10 1.61 -1.94 -0.81 -4.94 119.30 111.48 3fhb s MET 429 Ca 0.00 -0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.57 3fhb s MET 429 Cb 0.00 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 3fhb s MET 429 CO 0.00 -0.08 1.15 0.15 -0.01 0.00 0.00 175.02 176.23 3fhb s LYS 430 N -0.74 4.34 -0.13 2.03 1.02 -1.26 -0.85 119.74 124.15 3fhb s LYS 430 Ca -0.08 1.57 -0.00 0.00 0.02 0.00 0.00 55.97 57.48 3fhb s LYS 430 Cb -0.05 -3.59 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3fhb s LYS 430 CO 0.01 -0.47 -0.10 0.00 -0.92 0.00 0.00 175.35 173.87 3fhb n GLY 432 N 4.86 3.30 0.61 0.00 0.00 -1.26 0.06 105.19 112.76 3fhb n GLY 432 Ca -0.14 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3fhb n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhb n ALA 433 N 10.84 2.50 -2.44 4.61 0.00 -1.26 -4.93 120.51 129.84 3fhb n ALA 433 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 53.44 52.59 3fhb n ALA 433 Cb 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 3fhb n ALA 433 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3fhb s HIS 434 N -1.72 2.35 -0.38 0.00 0.09 0.11 -5.11 115.29 110.63 3fhb s HIS 434 Ca 0.31 -0.34 -0.11 0.00 -0.00 0.00 0.00 55.06 54.92 3fhb s HIS 434 Cb 0.17 -1.19 0.03 0.00 -0.00 0.00 0.00 32.58 31.59 3fhb s HIS 434 CO 0.25 0.46 0.21 -1.58 -0.00 0.00 0.00 174.74 174.08 3fhb s HIS 435 N -1.53 3.25 -0.14 1.40 2.46 -1.26 0.18 115.29 119.66 3fhb s HIS 435 Ca 0.20 -1.00 -0.10 0.00 0.47 0.00 0.00 55.06 54.62 3fhb s HIS 435 Cb -0.09 -2.47 -0.05 0.00 -0.13 0.00 0.00 32.58 29.85 3fhb s HIS 435 CO 0.10 -0.66 0.20 0.08 -2.47 0.00 0.00 174.74 171.98 3fhb s VAL 436 N 1.55 5.39 0.07 0.89 1.01 -0.03 -4.43 120.40 124.84 3fhb s VAL 436 Ca 0.02 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 3fhb s VAL 436 Cb -0.19 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3fhb s VAL 436 CO 0.06 0.52 0.09 -0.83 0.00 0.00 0.00 175.10 174.95 3fhb s GLY 437 N -0.37 0.29 0.02 4.51 0.00 -0.60 -1.93 107.32 109.24 3fhb s GLY 437 Ca 0.14 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 44.01 3fhb s GLY 437 CO 0.03 -1.05 -0.17 -0.19 0.00 0.00 0.00 173.10 171.73 3fhb s TYR 438 N -3.89 1.51 -0.05 1.90 2.02 -1.26 -0.73 117.35 116.84 3fhb s TYR 438 Ca 0.07 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 3fhb s TYR 438 Cb 0.06 -0.93 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3fhb s TYR 438 CO -0.10 0.02 0.12 1.41 -1.57 0.00 0.00 175.55 175.43 3fhb s MET 439 N -0.80 0.08 0.13 -0.62 1.75 -0.39 -4.22 119.30 115.23 3fhb s MET 439 Ca 0.05 0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.76 3fhb s MET 439 Cb -0.07 -0.12 -0.05 0.00 2.84 0.00 0.00 34.83 37.42 3fhb s MET 439 CO 0.01 -0.12 0.33 -0.06 -0.65 0.00 0.00 175.02 174.52 3fhb s PHE 440 N 0.85 3.49 -0.16 4.11 0.08 -0.62 -0.17 117.98 125.56 3fhb s PHE 440 Ca -0.07 0.42 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 3fhb s PHE 440 Cb -0.09 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3fhb s PHE 440 CO -0.04 0.47 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.92 3fhb s LEU 441 N -2.75 2.64 -0.03 -0.37 1.43 0.10 -1.40 118.68 118.30 3fhb s LEU 441 Ca 0.39 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3fhb s LEU 441 Cb -0.12 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3fhb s LEU 441 CO 0.27 0.09 -0.08 -0.83 0.23 0.00 0.00 176.35 176.02 3fhb s GLY 442 N 0.81 1.70 -0.30 -3.19 0.00 -0.41 -2.06 107.32 103.88 3fhb s GLY 442 Ca -0.04 -0.98 -0.26 0.00 0.00 0.00 0.00 44.72 43.44 3fhb s GLY 442 CO 0.00 -0.81 0.90 1.85 0.00 0.00 0.00 173.10 175.05 3fhb s GLU 443 N -1.14 4.04 -0.24 2.90 2.12 0.14 -0.84 118.70 125.69 3fhb s GLU 443 Ca 0.15 0.84 -0.02 0.00 0.36 0.00 0.00 54.97 56.30 3fhb s GLU 443 Cb -0.11 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.58 3fhb s GLU 443 CO 0.05 -0.73 -0.07 0.08 -0.54 0.00 0.00 175.26 174.05 3fhb s VAL 444 N 3.18 2.90 -1.00 3.70 1.01 0.29 -1.28 120.40 129.20 3fhb s VAL 444 Ca 0.38 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 3fhb s VAL 444 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3fhb s VAL 444 CO 0.12 0.27 1.55 0.00 0.00 0.00 0.00 175.10 177.04 3fhb s ALA 445 N 1.35 2.51 -0.62 5.51 0.00 -0.44 -1.29 121.76 128.79 3fhb s ALA 445 Ca 0.02 -2.13 0.25 0.00 0.00 0.00 0.00 51.96 50.11 3fhb s ALA 445 Cb -0.16 -4.54 0.86 0.00 0.00 0.00 0.00 23.12 19.28 3fhb s ALA 445 CO -0.05 -3.85 1.76 -0.07 0.00 0.00 0.00 175.76 173.55 3fhb h LEU 446 N 13.79 0.00 0.00 0.00 3.38 -0.99 -3.48 115.31 128.01 3fhb h LEU 446 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fhb h LEU 446 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3fhb h LEU 446 CO 1.39 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.53 3fhb n GLY 447 N 0.86 2.69 3.63 0.83 0.00 -0.87 -3.61 105.19 108.72 3fhb n GLY 447 Ca 0.04 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3fhb n GLY 447 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fhb s ARG 448 N 0.00 4.13 0.04 1.61 3.52 -1.26 -4.70 118.95 122.29 3fhb s ARG 448 Ca 0.00 0.82 -0.19 0.00 -0.13 0.00 0.00 55.73 56.24 3fhb s ARG 448 Cb 0.00 -3.66 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 3fhb s ARG 448 CO 0.00 -0.54 0.54 -1.21 -0.81 0.00 0.00 175.30 173.28 3fhb s GLU 449 N 2.83 4.17 -0.25 5.12 2.02 -1.26 -1.49 118.70 129.84 3fhb s GLU 449 Ca 0.33 0.66 -0.05 0.00 0.02 0.00 0.00 54.97 55.93 3fhb s GLU 449 Cb -0.15 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3fhb s GLU 449 CO 0.08 0.58 0.01 -1.58 0.02 0.00 0.00 175.26 174.37 3fhb s HIS 450 N -0.87 3.06 -0.13 1.61 5.65 -0.33 -4.99 115.29 119.29 3fhb s HIS 450 Ca 0.28 -1.01 -0.17 0.00 0.25 0.00 0.00 55.06 54.41 3fhb s HIS 450 Cb -0.19 -2.16 -0.04 0.00 -1.18 0.00 0.00 32.58 29.01 3fhb s HIS 450 CO 0.17 -0.57 0.44 -1.01 -0.65 0.00 0.00 174.74 173.12 3fhb s HIS 451 N 1.47 3.50 0.32 3.88 0.09 -1.26 -0.84 115.29 122.44 3fhb s HIS 451 Ca 0.04 0.82 0.09 0.00 -0.00 0.00 0.00 55.06 56.01 3fhb s HIS 451 Cb -0.16 -2.50 -0.05 0.00 -0.00 0.00 0.00 32.58 29.87 3fhb s HIS 451 CO -0.01 0.18 0.02 0.96 -0.00 0.00 0.00 174.74 175.90 3fhb s ILE 452 N 0.59 2.92 0.00 0.60 -4.36 -0.80 -4.96 121.20 115.19 3fhb s ILE 452 Ca 0.24 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3fhb s ILE 452 Cb -0.15 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.75 3fhb s ILE 452 CO 0.09 -0.26 0.63 -0.46 0.24 0.00 0.00 174.94 175.18 3fhb n ASN 453 N -0.96 0.58 -4.10 4.36 0.23 -1.26 -1.89 115.26 112.22 3fhb n ASN 453 Ca -0.05 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.58 52.58 3fhb n ASN 453 Cb 0.61 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.20 3fhb n ASN 453 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3fhb s THR 454 N -0.29 0.69 0.57 5.53 2.01 -1.26 -1.18 115.64 121.70 3fhb s THR 454 Ca 0.00 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 3fhb s THR 454 Cb 0.00 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3fhb s THR 454 CO 0.00 -0.39 1.23 0.47 -0.69 0.00 0.00 174.62 175.24 3fhb n ASP 455 N 1.28 2.05 -3.22 3.53 9.92 -1.26 -5.01 116.55 123.85 3fhb n ASP 455 Ca -0.21 0.92 -0.13 0.00 -0.53 0.00 0.00 54.79 54.83 3fhb n ASP 455 Cb 0.55 -1.52 -0.05 0.00 -0.64 0.00 0.00 41.12 39.46 3fhb n ASP 455 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3fhb s ASN 456 N -1.05 0.22 0.05 -2.24 3.04 -0.04 -5.03 114.94 109.90 3fhb s ASN 456 Ca 0.74 -1.74 0.16 0.00 0.04 0.00 0.00 52.86 52.06 3fhb s ASN 456 Cb -0.42 0.90 0.69 0.00 -1.54 0.00 0.00 41.25 40.88 3fhb s ASN 456 CO 0.48 -0.19 1.51 -2.65 -3.04 0.00 0.00 177.10 173.21 3fhb n PRO 457 N 3.76 0.04 0.01 0.43 -0.02 -1.24 -2.76 135.00 135.23 3fhb n PRO 457 Ca 0.16 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3fhb n PRO 457 Cb 0.50 -1.58 0.43 0.00 -0.02 0.00 0.00 33.50 32.83 3fhb n PRO 457 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fhb n SER 458 N -1.66 0.28 -4.66 2.55 3.41 -1.26 -3.65 113.62 108.63 3fhb n SER 458 Ca 0.03 0.15 -0.48 0.00 -0.26 0.00 0.00 58.87 58.32 3fhb n SER 458 Cb 0.18 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 3fhb n SER 458 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fhb n LEU 459 N -1.55 2.88 -0.02 1.04 4.32 -1.11 -4.82 117.00 117.73 3fhb n LEU 459 Ca 0.06 1.07 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 3fhb n LEU 459 Cb 0.35 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 3fhb n LEU 459 CO 0.31 -0.39 0.23 0.29 -1.22 0.00 0.00 177.39 176.61 3fhb n LYS 460 N 3.77 -0.00 -3.62 3.23 5.02 -1.26 -0.02 118.16 125.29 3fhb n LYS 460 Ca 0.18 -0.47 -0.02 0.00 -2.02 0.00 0.00 58.31 55.98 3fhb n LYS 460 Cb 0.27 -0.95 -0.01 0.00 -0.02 0.00 0.00 35.03 34.31 3fhb n LYS 460 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fhb s SER 461 N -0.17 -0.12 1.05 4.39 1.04 -1.26 -4.87 113.70 113.75 3fhb s SER 461 Ca 0.01 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.17 3fhb s SER 461 Cb 0.01 0.21 0.21 0.00 0.10 0.00 0.00 66.02 66.55 3fhb s SER 461 CO 0.01 -0.37 1.13 -2.84 0.98 0.00 0.00 173.24 172.15 3fhb s PRO 462 N -2.57 0.01 0.76 4.02 0.02 -1.26 -5.02 135.00 130.95 3fhb s PRO 462 Ca 0.12 0.16 -0.13 0.00 0.02 0.00 0.00 61.00 61.17 3fhb s PRO 462 Cb 0.02 -1.72 0.06 0.00 0.02 0.00 0.00 34.50 32.87 3fhb s PRO 462 CO -0.04 -2.94 1.13 -2.14 -0.33 0.00 0.00 177.00 172.69 3fhb s PRO 463 N -5.29 2.11 0.53 5.54 0.02 -1.26 -4.86 135.00 131.79 3fhb s PRO 463 Ca 0.68 1.44 0.31 0.00 0.02 0.00 0.00 61.00 63.45 3fhb s PRO 463 Cb -0.13 -1.86 1.45 0.00 0.02 0.00 0.00 34.50 33.98 3fhb s PRO 463 CO 0.56 -1.79 1.88 -1.35 -0.33 0.00 0.00 177.00 175.96 3fhb h PRO 464 N -0.79 0.04 0.00 5.54 0.11 -2.03 0.28 132.00 135.14 3fhb h PRO 464 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fhb h PRO 464 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fhb h PRO 464 CO 0.50 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 3fhb n GLY 465 N -1.70 -1.54 3.66 -0.55 0.00 -1.26 -4.97 105.19 98.83 3fhb n GLY 465 Ca 0.19 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3fhb n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fhb s PHE 466 N -3.03 2.73 -0.26 1.61 0.40 0.97 -4.91 117.98 115.48 3fhb s PHE 466 Ca 0.13 -0.21 0.12 0.00 -0.60 0.00 0.00 56.93 56.36 3fhb s PHE 466 Cb 0.17 -1.21 -0.16 0.00 0.51 0.00 0.00 43.02 42.33 3fhb s PHE 466 CO 0.54 0.61 0.37 -0.25 0.70 0.00 0.00 175.22 177.19 3fhb n ASP 467 N -0.90 1.48 -3.65 1.36 8.00 -0.55 -4.65 116.55 117.64 3fhb n ASP 467 Ca -0.07 -0.36 -0.10 0.00 0.71 0.00 0.00 54.79 54.97 3fhb n ASP 467 Cb 0.59 1.29 -0.05 0.00 -0.02 0.00 0.00 41.12 42.93 3fhb n ASP 467 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3fhb s SER 468 N -2.77 -0.21 -0.17 -2.24 1.04 -1.18 -4.63 113.70 103.54 3fhb s SER 468 Ca -0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3fhb s SER 468 Cb 0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3fhb s SER 468 CO 0.48 -0.85 -0.16 -0.69 0.98 0.00 0.00 173.24 173.01 3fhb s VAL 469 N -3.81 2.52 -0.32 5.02 1.01 -0.63 -1.19 120.40 123.01 3fhb s VAL 469 Ca 0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3fhb s VAL 469 Cb 0.02 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.37 3fhb s VAL 469 CO -0.12 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 174.93 3fhb s ILE 470 N 1.01 3.50 -0.57 2.22 -1.09 -0.02 -0.67 121.20 125.57 3fhb s ILE 470 Ca -0.02 -1.17 -0.28 0.00 -2.23 0.00 0.00 60.65 56.95 3fhb s ILE 470 Cb -0.15 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3fhb s ILE 470 CO -0.04 -0.12 1.42 0.00 -1.23 0.00 0.00 174.94 174.98 3fhb s ALA 471 N 1.36 2.79 0.03 9.38 0.00 -0.17 -1.90 121.76 133.25 3fhb s ALA 471 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 3fhb s ALA 471 Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 18.77 3fhb s ALA 471 CO 0.01 -2.98 1.05 1.03 0.00 0.00 0.00 175.76 174.87 3fhb s ARG 472 N 5.57 4.53 0.54 0.00 1.81 -0.80 -0.96 118.95 129.65 3fhb s ARG 472 Ca 0.52 1.54 -0.06 0.00 -1.72 0.00 0.00 55.73 56.01 3fhb s ARG 472 Cb -0.11 -3.41 -0.02 0.00 -0.45 0.00 0.00 34.95 30.96 3fhb s ARG 472 CO 0.24 -0.09 0.86 0.20 -0.68 0.00 0.00 175.30 175.83 3fhb s GLY 473 N 0.91 1.56 0.48 -3.53 0.00 -1.26 -4.46 107.32 101.03 3fhb s GLY 473 Ca 0.54 -0.55 0.27 0.00 0.00 0.00 0.00 44.72 44.98 3fhb s GLY 473 CO 0.29 -0.32 1.84 0.45 0.00 0.00 0.00 173.10 175.35 3fhb h HIS 474 N -0.00 0.25 -2.96 1.90 3.86 -0.47 -3.44 115.15 114.29 3fhb h HIS 474 Ca -0.46 0.01 -0.44 0.00 -1.16 0.00 0.00 60.37 58.32 3fhb h HIS 474 Cb 1.23 -0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.48 3fhb h HIS 474 CO 0.54 0.04 -0.66 0.95 0.86 0.00 0.00 177.93 179.66 3fhb s THR 475 N -5.17 1.35 -0.20 2.45 -4.23 -1.19 -1.01 115.64 107.64 3fhb s THR 475 Ca -0.06 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.14 3fhb s THR 475 Cb 0.23 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.73 3fhb s THR 475 CO 0.79 -0.31 0.62 -0.70 -0.54 0.00 0.00 174.62 174.47 3fhb s GLU 476 N -3.79 0.77 0.18 3.99 2.56 -0.57 -4.30 118.70 117.54 3fhb s GLU 476 Ca 0.29 0.73 -0.33 0.00 0.00 0.00 0.00 54.97 55.66 3fhb s GLU 476 Cb 0.05 0.37 -0.14 0.00 2.00 0.00 0.00 34.13 36.41 3fhb s GLU 476 CO 0.10 -0.12 1.56 -2.30 -0.56 0.00 0.00 175.26 173.94 3fhb n PRO 477 N 2.43 2.20 -1.48 4.30 -0.02 -1.26 -0.60 135.00 140.57 3fhb n PRO 477 Ca -0.15 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 3fhb n PRO 477 Cb 0.56 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 3fhb n PRO 477 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fhb n ASP 478 N 3.18 1.49 0.24 2.55 -0.08 -0.64 -4.78 116.55 118.51 3fhb n ASP 478 Ca 0.16 0.09 0.18 0.00 -1.51 0.00 0.00 54.79 53.70 3fhb n ASP 478 Cb 0.30 -1.22 0.88 0.00 2.34 0.00 0.00 41.12 43.42 3fhb n ASP 478 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fhb h PRO 479 N 14.10 0.00 0.00 -0.67 0.11 -1.92 0.14 132.00 143.76 3fhb h PRO 479 Ca -0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3fhb h PRO 479 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3fhb h PRO 479 CO 1.19 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.74 3fhb h THR 480 N 0.00 0.10 -0.15 -1.15 1.35 -2.00 -1.14 112.91 109.92 3fhb h THR 480 Ca 0.07 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3fhb h THR 480 Cb 0.46 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3fhb h THR 480 CO -0.00 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 3fhb n GLN 481 N -3.18 2.12 -1.74 4.72 1.13 0.48 -4.98 117.38 115.92 3fhb n GLN 481 Ca -0.01 -1.66 -0.41 0.00 -1.94 0.00 0.00 57.00 52.98 3fhb n GLN 481 Cb 0.19 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.08 3fhb n GLN 481 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3fhb n ASP 482 N 0.94 3.21 -4.44 1.08 8.00 -0.43 -3.40 116.55 121.51 3fhb n ASP 482 Ca 0.17 1.17 -0.30 0.00 0.71 0.00 0.00 54.79 56.53 3fhb n ASP 482 Cb 0.50 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.97 3fhb n ASP 482 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3fhb n THR 483 N 0.08 0.00 -4.31 -3.53 5.66 -0.11 -4.90 114.28 107.17 3fhb n THR 483 Ca 0.04 -2.28 -0.20 0.00 -3.05 0.00 0.00 64.05 58.56 3fhb n THR 483 Cb 0.39 0.51 -0.11 0.00 -1.55 0.00 0.00 70.33 69.57 3fhb n THR 483 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3fhb s GLU 484 N -3.71 1.21 -0.03 1.09 2.02 -1.26 -0.18 118.70 117.84 3fhb s GLU 484 Ca 0.03 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.62 3fhb s GLU 484 Cb 0.00 -1.13 0.02 0.00 0.10 0.00 0.00 34.13 33.11 3fhb s GLU 484 CO 0.02 0.21 -0.04 -1.17 0.02 0.00 0.00 175.26 174.31 3fhb s LEU 485 N -2.79 1.47 -0.56 1.80 2.96 0.56 -4.86 118.68 117.26 3fhb s LEU 485 Ca 0.16 -0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 3fhb s LEU 485 Cb -0.04 -0.35 0.05 0.00 0.50 0.00 0.00 46.19 46.35 3fhb s LEU 485 CO 0.05 -0.03 0.92 -0.70 -1.32 0.00 0.00 176.35 175.27 3fhb s GLU 486 N 0.66 3.29 -0.25 1.98 2.12 -1.26 -0.79 118.70 124.45 3fhb s GLU 486 Ca -0.08 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 3fhb s GLU 486 Cb -0.11 -4.07 0.02 0.00 0.26 0.00 0.00 34.13 30.23 3fhb s GLU 486 CO -0.00 -1.50 -0.04 -0.51 -0.54 0.00 0.00 175.26 172.67 3fhb s LEU 487 N 3.85 3.26 -1.48 2.70 1.43 -0.27 -4.52 118.68 123.65 3fhb s LEU 487 Ca 0.28 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3fhb s LEU 487 Cb -0.14 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.44 3fhb s LEU 487 CO 0.18 -0.13 0.61 0.47 0.23 0.00 0.00 176.35 177.71 3fhb n ASP 488 N 4.70 -1.72 0.00 2.29 8.00 -1.26 -1.90 116.55 126.66 3fhb n ASP 488 Ca -0.16 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3fhb n ASP 488 Cb 0.47 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3fhb n ASP 488 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fhb n GLY 489 N -1.76 0.63 3.62 0.44 0.00 -1.26 -5.02 105.19 101.84 3fhb n GLY 489 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3fhb n GLY 489 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fhb s GLN 490 N -0.28 2.60 -0.05 1.61 -1.52 -0.80 -5.07 119.66 116.15 3fhb s GLN 490 Ca 0.00 -0.70 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 3fhb s GLN 490 Cb 0.00 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.21 3fhb s GLN 490 CO 0.00 0.61 1.25 -0.65 -0.25 0.00 0.00 175.29 176.24 3fhb s GLN 491 N -1.47 4.33 -0.13 2.91 -1.52 -1.26 -1.11 119.66 121.40 3fhb s GLN 491 Ca 0.18 1.74 -0.00 0.00 -1.95 0.00 0.00 55.36 55.33 3fhb s GLN 491 Cb -0.11 -3.57 0.03 0.00 -0.22 0.00 0.00 33.01 29.14 3fhb s GLN 491 CO 0.08 -0.49 -0.09 0.08 -0.25 0.00 0.00 175.29 174.63 3fhb s VAL 492 N 2.31 1.19 0.07 1.09 1.01 0.03 -4.50 120.40 121.60 3fhb s VAL 492 Ca 0.58 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3fhb s VAL 492 Cb -0.26 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3fhb s VAL 492 CO 0.23 0.35 0.93 0.54 0.00 0.00 0.00 175.10 177.15 3fhb s VAL 493 N 1.64 4.63 -0.23 2.92 0.11 -0.40 -0.32 120.40 128.75 3fhb s VAL 493 Ca 0.04 2.00 0.02 0.00 -2.93 0.00 0.00 61.98 61.11 3fhb s VAL 493 Cb -0.13 -4.29 0.05 0.00 -1.53 0.00 0.00 36.38 30.48 3fhb s VAL 493 CO -0.09 0.28 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.15 3fhb s VAL 494 N 0.26 2.04 0.47 2.04 1.01 0.74 -1.06 120.40 125.90 3fhb s VAL 494 Ca 0.47 -1.36 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3fhb s VAL 494 Cb -0.22 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 3fhb s VAL 494 CO 0.28 0.14 1.31 -2.84 0.00 0.00 0.00 175.10 173.99 3fhb s PRO 495 N 1.20 3.59 0.00 2.72 0.02 -1.26 -0.94 135.00 140.34 3fhb s PRO 495 Ca -0.04 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3fhb s PRO 495 Cb -0.18 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.85 3fhb s PRO 495 CO -0.08 -0.79 0.30 1.04 -0.33 0.00 0.00 177.00 177.14 3fhb n GLN 496 N -0.46 -0.30 -3.88 5.54 1.13 -1.22 -4.37 117.38 113.83 3fhb n GLN 496 Ca 0.07 -0.33 -0.26 0.00 -1.94 0.00 0.00 57.00 54.54 3fhb n GLN 496 Cb 0.45 -0.75 -0.03 0.00 0.11 0.00 0.00 30.24 30.02 3fhb n GLN 496 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3fhb s GLY 497 N -0.05 1.68 0.70 1.08 0.00 -1.26 -4.81 107.32 104.66 3fhb s GLY 497 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 3fhb s GLY 497 CO 0.00 -0.99 1.11 1.20 0.00 0.00 0.00 173.10 174.43 3fhb s GLN 498 N -3.34 2.57 0.27 2.90 -0.21 -1.26 -4.12 119.66 116.47 3fhb s GLN 498 Ca 0.35 1.36 -0.31 0.00 0.02 0.00 0.00 55.36 56.79 3fhb s GLN 498 Cb -0.11 -1.92 -0.12 0.00 1.00 0.00 0.00 33.01 31.86 3fhb s GLN 498 CO 0.29 -1.43 1.54 -2.30 -2.12 0.00 0.00 175.29 171.27 3fhb n PRO 499 N -2.77 2.47 -4.35 2.91 -0.02 -1.26 -1.61 135.00 130.37 3fhb n PRO 499 Ca 0.10 0.88 -0.20 0.00 -2.02 0.00 0.00 63.50 62.26 3fhb n PRO 499 Cb 0.52 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 3fhb n PRO 499 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3fhb s VAL 500 N 0.03 1.85 0.49 -1.45 -7.23 0.23 -4.84 120.40 109.49 3fhb s VAL 500 Ca 0.66 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 3fhb s VAL 500 Cb -0.55 -1.99 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 3fhb s VAL 500 CO 0.48 -0.46 1.28 -2.84 -0.31 0.00 0.00 175.10 173.25 3fhb s PRO 501 N -3.28 3.52 -0.57 4.82 0.02 -1.26 -1.51 135.00 136.74 3fhb s PRO 501 Ca 0.21 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 3fhb s PRO 501 Cb -0.03 -2.41 0.15 0.00 0.02 0.00 0.00 34.50 32.23 3fhb s PRO 501 CO 0.08 -0.84 0.35 0.00 -0.33 0.00 0.00 177.00 176.27 3fhb h PRO 503 N 6.99 0.21 0.00 0.00 0.10 -1.94 0.22 132.00 137.57 3fhb h PRO 503 Ca -0.04 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.04 3fhb h PRO 503 Cb 0.95 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.00 3fhb h PRO 503 CO 0.70 0.14 0.00 0.39 0.10 0.00 0.00 178.00 179.33 3fhb n GLU 504 N -5.14 0.18 -0.16 1.05 -0.58 -1.26 -2.42 120.64 112.31 3fhb n GLU 504 Ca 0.33 0.48 0.09 0.00 -0.42 0.00 0.00 57.16 57.63 3fhb n GLU 504 Cb 1.04 -1.89 0.14 0.00 -0.57 0.00 0.00 31.44 30.16 3fhb n GLU 504 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3fhb n PHE 505 N -2.25 0.00 0.29 -0.32 3.72 0.77 -4.79 117.46 114.88 3fhb n PHE 505 Ca 0.01 -1.02 0.14 0.00 -0.05 0.00 0.00 57.45 56.53 3fhb n PHE 505 Cb 0.18 -0.16 0.85 0.00 -0.94 0.00 0.00 39.48 39.41 3fhb n PHE 505 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3fhb h SER 506 N 0.13 0.00 -0.44 4.37 4.64 -1.37 -0.75 113.55 120.13 3fhb h SER 506 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fhb h SER 506 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3fhb h SER 506 CO 0.00 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 3fhb n SER 507 N -3.87 4.35 -4.74 4.97 3.41 -1.26 -4.92 113.62 111.57 3fhb n SER 507 Ca -0.03 -2.68 -0.36 0.00 -0.26 0.00 0.00 58.87 55.54 3fhb n SER 507 Cb 0.12 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 63.59 3fhb n SER 507 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fhb s SER 508 N -1.28 4.89 0.00 4.04 0.15 -0.29 -4.88 113.70 116.33 3fhb s SER 508 Ca 0.44 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.77 3fhb s SER 508 Cb 0.32 -2.61 1.24 0.00 -1.71 0.00 0.00 66.02 63.26 3fhb s SER 508 CO 0.16 -1.80 1.62 0.35 1.20 0.00 0.00 173.24 174.77 3fhb n THR 509 N -1.80 0.00 -4.01 6.45 -2.24 -0.33 -4.64 114.28 107.72 3fhb n THR 509 Ca 0.14 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 3fhb n THR 509 Cb 0.49 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.91 3fhb n THR 509 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3fhb s PHE 510 N -2.00 3.02 0.16 4.78 0.08 -1.26 -4.95 117.98 117.81 3fhb s PHE 510 Ca 0.31 -1.64 -0.11 0.00 0.12 0.00 0.00 56.93 55.62 3fhb s PHE 510 Cb 0.14 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3fhb s PHE 510 CO 0.24 -0.75 1.59 0.77 -0.10 0.00 0.00 175.22 176.96 3fhb h SER 511 N 7.97 0.99 -3.95 1.36 0.02 -1.88 -1.28 113.55 116.79 3fhb h SER 511 Ca -0.34 -0.34 -0.58 0.00 -0.84 0.00 0.00 61.79 59.68 3fhb h SER 511 Cb 1.11 -0.27 -0.21 0.00 0.14 0.00 0.00 62.40 63.17 3fhb h SER 511 CO 0.58 1.10 -0.83 -1.10 -1.14 0.00 0.00 176.83 175.44 3fhb s GLN 512 N -4.87 1.23 0.30 3.45 -0.21 -1.26 -1.86 119.66 116.44 3fhb s GLN 512 Ca -0.12 -1.27 -0.29 0.00 0.02 0.00 0.00 55.36 53.70 3fhb s GLN 512 Cb 0.12 -1.51 -0.10 0.00 1.00 0.00 0.00 33.01 32.53 3fhb s GLN 512 CO 0.85 0.34 1.27 -1.12 -2.12 0.00 0.00 175.29 174.51 3fhb s SER 513 N -2.12 6.89 -0.20 5.90 0.01 -1.26 -4.26 113.70 118.66 3fhb s SER 513 Ca 0.10 2.56 -0.02 0.00 1.31 0.00 0.00 55.95 59.90 3fhb s SER 513 Cb -0.09 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3fhb s SER 513 CO 0.05 -0.45 -0.10 -1.61 0.41 0.00 0.00 173.24 171.54 3fhb s GLU 514 N -1.46 3.24 -0.20 12.44 2.02 -0.13 -4.44 118.70 130.17 3fhb s GLU 514 Ca 0.49 -0.70 -0.13 0.00 0.02 0.00 0.00 54.97 54.65 3fhb s GLU 514 Cb -0.38 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 3fhb s GLU 514 CO 0.48 -0.20 0.26 0.71 0.02 0.00 0.00 175.26 176.53 3fhb s TYR 515 N 1.40 3.39 -0.09 1.61 1.51 0.14 -1.00 117.35 124.31 3fhb s TYR 515 Ca 0.05 0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 3fhb s TYR 515 Cb -0.14 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 3fhb s TYR 515 CO -0.07 0.13 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.79 3fhb s LEU 516 N 0.84 1.94 0.14 -1.29 2.01 0.15 -1.21 118.68 121.27 3fhb s LEU 516 Ca 0.13 -0.48 0.09 0.00 0.01 0.00 0.00 54.13 53.89 3fhb s LEU 516 Cb -0.13 -1.22 -0.04 0.00 0.01 0.00 0.00 46.19 44.81 3fhb s LEU 516 CO 0.04 0.11 -0.15 0.27 1.01 0.00 0.00 176.35 177.64 3fhb s ILE 517 N 0.48 2.97 -0.11 -0.59 -4.36 -1.20 -1.60 121.20 116.79 3fhb s ILE 517 Ca -0.17 -1.58 0.16 0.00 -0.26 0.00 0.00 60.65 58.80 3fhb s ILE 517 Cb -0.17 -2.41 0.25 0.00 1.25 0.00 0.00 42.46 41.38 3fhb s ILE 517 CO 0.07 0.01 1.13 -1.22 0.24 0.00 0.00 174.94 175.16 3fhb n TYR 518 N 0.48 0.00 -3.75 1.37 4.02 -1.26 -1.68 117.16 116.33 3fhb n TYR 518 Ca -0.13 -0.92 -0.12 0.00 -0.01 0.00 0.00 57.90 56.71 3fhb n TYR 518 Cb 0.54 -0.14 -0.12 0.00 -0.02 0.00 0.00 39.34 39.60 3fhb n TYR 518 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3fhb s GLN 519 N -2.60 0.26 0.48 -0.72 -2.07 -1.26 -4.90 119.66 108.84 3fhb s GLN 519 Ca 0.28 0.48 0.17 0.00 -1.82 0.00 0.00 55.36 54.46 3fhb s GLN 519 Cb 0.24 -0.00 1.18 0.00 -1.09 0.00 0.00 33.01 33.34 3fhb s GLN 519 CO 0.03 -0.11 2.03 0.93 -1.32 0.00 0.00 175.29 176.85 3fhb h GLU 520 N 6.58 0.20 0.00 9.60 5.08 -1.91 -1.87 114.58 132.26 3fhb h GLU 520 Ca -0.34 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3fhb h GLU 520 Cb 1.17 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3fhb h GLU 520 CO 0.36 0.13 -0.00 0.66 -1.00 0.00 0.00 179.01 179.15 3fhb h SER 521 N 0.20 0.00 0.00 1.42 4.64 -1.93 -3.08 113.55 114.80 3fhb h SER 521 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3fhb h SER 521 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3fhb h SER 521 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3fhb n GLN 522 N -3.15 0.93 -4.10 4.77 6.02 -0.70 -3.92 117.38 117.22 3fhb n GLN 522 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3fhb n GLN 522 Cb 0.12 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 3fhb n GLN 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fhb s ARG 524 N -3.41 -0.04 0.21 0.00 6.06 -0.41 -4.89 118.95 116.47 3fhb s ARG 524 Ca 0.05 0.32 -0.31 0.00 -2.50 0.00 0.00 55.73 53.29 3fhb s ARG 524 Cb 0.03 -0.35 -0.11 0.00 0.06 0.00 0.00 34.95 34.58 3fhb s ARG 524 CO -0.06 -0.25 1.61 -0.51 -2.50 0.00 0.00 175.30 173.59 3fhb s LEU 525 N 1.66 4.37 0.00 -0.88 1.43 -1.26 -0.68 118.68 123.31 3fhb s LEU 525 Ca -0.02 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3fhb s LEU 525 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3fhb s LEU 525 CO -0.04 -0.87 0.00 0.54 0.23 0.00 0.00 176.35 176.21 3fhb n ARG 526 N 3.43 0.00 -3.84 1.70 5.12 -0.88 -4.60 116.66 117.59 3fhb n ARG 526 Ca 0.13 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 3fhb n ARG 526 Cb 0.37 -0.92 -0.12 0.00 -1.16 0.00 0.00 32.46 30.63 3fhb n ARG 526 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3fhb s TYR 527 N -2.00 -0.10 -0.13 -1.55 1.51 -0.95 -0.62 117.35 113.51 3fhb s TYR 527 Ca 0.00 0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 56.29 3fhb s TYR 527 Cb 0.00 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.85 3fhb s TYR 527 CO 0.00 -0.09 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.11 3fhb s LEU 528 N -0.13 3.12 -0.08 -1.29 2.96 0.24 -0.72 118.68 122.77 3fhb s LEU 528 Ca -0.02 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3fhb s LEU 528 Cb -0.02 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3fhb s LEU 528 CO 0.00 0.21 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.35 3fhb s LEU 529 N 0.09 2.71 -0.15 -0.68 1.02 0.77 0.30 118.68 122.73 3fhb s LEU 529 Ca -0.02 -0.26 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 3fhb s LEU 529 Cb -0.14 -1.57 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 3fhb s LEU 529 CO 0.03 0.27 0.33 -0.70 0.02 0.00 0.00 176.35 176.30 3fhb s GLU 530 N -0.26 4.27 0.03 1.70 2.12 0.03 -1.26 118.70 125.33 3fhb s GLU 530 Ca 0.02 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.56 3fhb s GLU 530 Cb -0.13 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3fhb s GLU 530 CO 0.03 0.21 -0.12 0.14 -0.54 0.00 0.00 175.26 174.98 3fhb s VAL 531 N 0.55 0.93 -2.45 3.70 -7.23 0.09 -0.93 120.40 115.05 3fhb s VAL 531 Ca 0.18 -0.88 0.20 0.00 -1.81 0.00 0.00 61.98 59.67 3fhb s VAL 531 Cb -0.13 -0.85 0.16 0.00 0.56 0.00 0.00 36.38 36.11 3fhb s VAL 531 CO 0.05 -0.02 1.12 1.41 -0.31 0.00 0.00 175.10 177.35