#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqr s THR 185 N 0.00 2.19 0.67 5.09 -4.23 -1.26 -5.01 115.64 113.10 3hqr s THR 185 Ca 0.00 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 3hqr s THR 185 Cb 0.00 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 3hqr s THR 185 CO 0.00 -0.08 1.05 -0.54 -0.54 0.00 0.00 174.62 174.51 3hqr s LYS 186 N -4.81 3.14 0.76 3.99 3.01 -1.26 -4.67 119.74 119.90 3hqr s LYS 186 Ca 0.66 0.78 -0.05 0.00 -1.01 0.00 0.00 55.97 56.35 3hqr s LYS 186 Cb -0.20 -2.03 0.16 0.00 -1.01 0.00 0.00 37.83 34.75 3hqr s LYS 186 CO 0.59 -0.91 1.04 -0.35 0.51 0.00 0.00 175.35 176.24 3hqr n PRO 187 N -2.98 -0.43 -1.14 -1.68 -0.04 -1.23 -4.88 135.00 122.62 3hqr n PRO 187 Ca 0.07 -2.39 -0.29 0.00 -0.04 0.00 0.00 63.50 60.85 3hqr n PRO 187 Cb 0.54 -0.83 0.18 0.00 -0.04 0.00 0.00 33.50 33.35 3hqr n PRO 187 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hqr s LEU 188 N 0.00 1.50 0.28 1.53 1.02 -1.26 -4.89 118.68 116.86 3hqr s LEU 188 Ca 0.66 1.17 -0.30 0.00 0.02 0.00 0.00 54.13 55.67 3hqr s LEU 188 Cb -0.03 -3.32 -0.12 0.00 0.02 0.00 0.00 46.19 42.74 3hqr s LEU 188 CO 0.44 -3.23 1.63 -2.84 0.02 0.00 0.00 176.35 172.37 3hqr s PRO 189 N -4.95 4.11 0.24 1.29 0.02 -1.26 -4.86 135.00 129.59 3hqr s PRO 189 Ca 0.66 2.60 -0.04 0.00 0.02 0.00 0.00 61.00 64.24 3hqr s PRO 189 Cb -0.19 -3.03 0.26 0.00 0.02 0.00 0.00 34.50 31.56 3hqr s PRO 189 CO 0.58 -0.67 1.73 0.00 -0.33 0.00 0.00 177.00 178.30 3hqr h ALA 190 N 5.26 1.02 -0.17 -1.55 0.00 -1.90 -2.64 119.26 119.29 3hqr h ALA 190 Ca -0.46 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.22 3hqr h ALA 190 Cb 1.22 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3hqr h ALA 190 CO 0.83 0.60 -0.20 1.25 0.00 0.00 0.00 179.25 181.74 3hqr h LEU 191 N 0.81 -0.62 0.26 0.00 6.46 -1.89 0.43 115.31 120.77 3hqr h LEU 191 Ca 0.15 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3hqr h LEU 191 Cb 0.48 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 3hqr h LEU 191 CO 0.02 -0.24 -0.13 0.50 -0.62 0.00 0.00 178.44 177.97 3hqr h LYS 192 N -0.23 -0.34 -0.38 1.25 3.64 -1.94 -0.87 116.57 117.71 3hqr h LYS 192 Ca 0.11 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3hqr h LYS 192 Cb 0.40 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3hqr h LYS 192 CO -0.30 -0.13 0.17 1.25 -2.27 0.00 0.00 179.45 178.17 3hqr h LEU 193 N -0.49 0.22 0.41 5.20 5.85 -1.18 0.20 115.31 125.53 3hqr h LEU 193 Ca -0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hqr h LEU 193 Cb 0.36 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hqr h LEU 193 CO 0.06 0.17 -0.20 0.00 -0.34 0.00 0.00 178.44 178.13 3hqr h ALA 194 N 1.22 -0.56 -0.07 1.25 0.00 -0.13 0.10 119.26 121.08 3hqr h ALA 194 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hqr h ALA 194 Cb 0.10 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hqr h ALA 194 CO -0.14 -0.67 -0.47 -0.07 0.00 0.00 0.00 179.25 177.90 3hqr h LEU 195 N -0.84 0.18 -0.79 0.00 3.38 -1.14 0.67 115.31 116.78 3hqr h LEU 195 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hqr h LEU 195 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hqr h LEU 195 CO 0.09 0.63 -0.59 1.21 0.09 0.00 0.00 178.44 179.88 3hqr n GLU 196 N -3.97 0.95 0.00 1.13 4.07 0.71 -4.42 120.64 119.11 3hqr n GLU 196 Ca -0.02 -0.79 0.00 0.00 -0.06 0.00 0.00 57.16 56.30 3hqr n GLU 196 Cb 0.52 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 3hqr n GLU 196 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 3hqr n TYR 197 N -0.34 0.00 -0.04 4.31 9.36 0.20 -4.83 117.16 125.83 3hqr n TYR 197 Ca 0.08 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.20 3hqr n TYR 197 Cb 0.44 0.37 -0.04 0.00 -0.63 0.00 0.00 39.34 39.47 3hqr n TYR 197 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3hqr h ILE 198 N 0.00 0.23 0.14 2.97 2.04 -0.90 0.89 117.51 122.89 3hqr h ILE 198 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hqr h ILE 198 Cb 0.00 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3hqr h ILE 198 CO 0.00 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.58 3hqr h VAL 199 N -0.38 0.00 -0.76 1.67 2.07 0.11 1.18 116.25 120.14 3hqr h VAL 199 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 3hqr h VAL 199 Cb 0.57 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 3hqr h VAL 199 CO -0.42 0.00 0.38 1.55 0.02 0.00 0.00 177.57 179.10 3hqr h PRO 200 N -0.30 0.60 -0.42 1.57 0.13 -1.73 0.54 132.00 132.40 3hqr h PRO 200 Ca -0.02 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3hqr h PRO 200 Cb 0.26 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.22 3hqr h PRO 200 CO -0.02 0.40 0.21 0.00 -0.23 0.00 0.00 178.00 178.36 3hqr h MET 202 N 0.43 0.57 -0.45 0.00 2.86 0.25 0.36 114.93 118.94 3hqr h MET 202 Ca 0.18 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3hqr h MET 202 Cb 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3hqr h MET 202 CO -0.12 0.65 -0.04 -0.91 1.06 0.00 0.00 176.91 177.56 3hqr h ASN 203 N 0.41 0.74 0.24 1.22 2.35 -0.74 0.49 115.58 120.28 3hqr h ASN 203 Ca 0.10 -0.19 -0.32 0.00 -0.55 0.00 0.00 56.30 55.35 3hqr h ASN 203 Cb 0.36 -0.20 0.04 0.00 0.05 0.00 0.00 38.32 38.57 3hqr h ASN 203 CO 0.01 0.83 -1.40 0.50 -1.65 0.00 0.00 177.43 175.72 3hqr h LYS 204 N 0.71 0.50 0.00 0.81 3.64 -1.02 -3.41 116.57 117.80 3hqr h LYS 204 Ca 0.13 -0.86 -0.08 0.00 -1.27 0.00 0.00 60.65 58.58 3hqr h LYS 204 Cb 0.49 0.32 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3hqr h LYS 204 CO 0.02 1.41 -1.37 0.72 -2.27 0.00 0.00 179.45 177.96 3hqr n HIS 205 N -3.78 0.00 -0.81 1.91 8.25 0.12 -4.99 115.22 115.93 3hqr n HIS 205 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3hqr n HIS 205 Cb 1.06 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3hqr n HIS 205 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hqr n GLY 206 N 2.52 1.18 2.88 -1.41 0.00 0.17 -4.96 105.19 105.57 3hqr n GLY 206 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3hqr n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqr s ILE 207 N -3.58 0.59 -0.04 -0.61 1.01 -1.26 -1.03 121.20 116.29 3hqr s ILE 207 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3hqr s ILE 207 Cb 0.00 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.86 3hqr s ILE 207 CO 0.00 0.26 0.07 0.00 0.00 0.00 0.00 174.94 175.26 3hqr s VAL 209 N 1.67 3.83 -0.25 0.00 1.01 -1.26 0.49 120.40 125.90 3hqr s VAL 209 Ca -0.02 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3hqr s VAL 209 Cb -0.12 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.66 3hqr s VAL 209 CO -0.04 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.82 3hqr s VAL 210 N 0.17 1.81 0.52 2.92 1.01 0.11 -4.97 120.40 121.96 3hqr s VAL 210 Ca -0.02 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.46 3hqr s VAL 210 Cb -0.14 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3hqr s VAL 210 CO 0.03 -0.10 0.84 -1.81 0.00 0.00 0.00 175.10 174.06 3hqr s ASP 211 N 1.26 6.18 -1.53 3.32 1.01 -1.26 0.55 116.67 126.20 3hqr s ASP 211 Ca -0.06 0.99 -0.11 0.00 0.71 0.00 0.00 52.55 54.08 3hqr s ASP 211 Cb -0.19 -2.22 0.08 0.00 1.01 0.00 0.00 42.92 41.59 3hqr s ASP 211 CO -0.06 -0.69 0.81 0.47 0.21 0.00 0.00 175.17 175.91 3hqr n ASP 212 N -2.39 -3.21 -0.11 0.27 10.43 -0.84 -4.85 116.55 115.85 3hqr n ASP 212 Ca 0.02 -0.88 -0.05 0.00 2.57 0.00 0.00 54.79 56.45 3hqr n ASP 212 Cb 0.55 -3.48 0.02 0.00 1.84 0.00 0.00 41.12 40.05 3hqr n ASP 212 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 3hqr h PHE 213 N -1.87 0.09 -0.00 1.24 3.57 -0.85 -3.27 116.94 115.85 3hqr h PHE 213 Ca -0.60 0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.93 3hqr h PHE 213 Cb 1.38 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3hqr h PHE 213 CO 0.56 -0.01 -0.26 1.28 -2.23 0.00 0.00 178.31 177.65 3hqr n LEU 214 N -5.12 0.31 0.00 0.59 4.77 -1.26 -3.48 117.00 112.81 3hqr n LEU 214 Ca 0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3hqr n LEU 214 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hqr n LEU 214 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3hqr n GLY 215 N 1.11 -0.58 0.19 -0.72 0.00 -1.24 -4.09 105.19 99.86 3hqr n GLY 215 Ca 0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 3hqr n GLY 215 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqr h LYS 216 N 0.00 -0.01 0.24 1.61 5.09 -1.97 0.52 116.57 122.05 3hqr h LYS 216 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3hqr h LYS 216 Cb 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.30 3hqr h LYS 216 CO 0.00 -0.01 -0.45 1.05 -2.09 0.00 0.00 179.45 177.96 3hqr h GLU 217 N -0.01 -0.71 -0.29 0.07 4.11 -2.00 0.97 114.58 116.74 3hqr h GLU 217 Ca 0.22 0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 3hqr h GLU 217 Cb 0.34 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hqr h GLU 217 CO -0.47 -0.47 0.10 1.15 0.07 0.00 0.00 179.01 179.39 3hqr h THR 218 N -0.74 1.19 -0.92 -1.06 2.02 -1.73 -1.14 112.91 110.53 3hqr h THR 218 Ca -0.03 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.68 3hqr h THR 218 Cb 0.69 1.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 3hqr h THR 218 CO -0.17 0.20 0.55 1.23 0.37 0.00 0.00 175.52 177.70 3hqr h GLY 219 N 0.30 1.51 0.86 2.16 0.00 -0.77 0.50 103.07 107.63 3hqr h GLY 219 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hqr h GLY 219 CO -0.01 0.09 0.05 1.46 0.00 0.00 0.00 176.54 178.13 3hqr h GLN 220 N 0.84 0.21 -0.41 4.80 4.20 -0.35 0.29 115.11 124.69 3hqr h GLN 220 Ca 0.47 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.19 3hqr h GLN 220 Cb 0.54 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 3hqr h GLN 220 CO -0.29 0.31 0.16 1.96 -0.67 0.00 0.00 178.83 180.30 3hqr h GLN 221 N 0.06 0.32 -0.20 1.46 4.20 -0.13 0.25 115.11 121.06 3hqr h GLN 221 Ca 0.04 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 3hqr h GLN 221 Cb 0.19 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hqr h GLN 221 CO -0.00 0.21 -0.53 -0.84 -0.67 0.00 0.00 178.83 177.00 3hqr h ILE 222 N 0.33 1.32 0.00 2.54 3.07 -0.86 -0.01 117.51 123.90 3hqr h ILE 222 Ca 0.18 -1.76 -0.01 0.00 1.55 0.00 0.00 64.86 64.82 3hqr h ILE 222 Cb 0.15 1.73 -0.00 0.00 -0.27 0.00 0.00 36.82 38.43 3hqr h ILE 222 CO -0.17 0.55 -0.06 1.23 -1.05 0.00 0.00 178.15 178.64 3hqr h GLY 223 N 1.04 0.00 1.38 0.16 0.00 -0.15 0.28 103.07 105.79 3hqr h GLY 223 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 3hqr h GLY 223 CO 0.10 0.00 -1.42 -0.55 0.00 0.00 0.00 176.54 174.67 3hqr h ASP 224 N 0.00 0.41 0.02 0.19 3.45 0.30 -2.29 116.42 118.49 3hqr h ASP 224 Ca -0.00 -0.51 -0.11 0.00 0.43 0.00 0.00 57.03 56.83 3hqr h ASP 224 Cb 0.17 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3hqr h ASP 224 CO 0.01 1.42 -0.36 -0.33 -1.57 0.00 0.00 179.24 178.41 3hqr h GLU 225 N 0.07 0.46 -0.14 3.56 5.08 0.09 0.13 114.58 123.82 3hqr h GLU 225 Ca -0.20 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 3hqr h GLU 225 Cb 2.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.25 3hqr h GLU 225 CO 0.18 0.76 -0.46 0.28 -1.00 0.00 0.00 179.01 178.77 3hqr h VAL 226 N 0.39 1.35 -0.38 3.13 2.07 -0.55 0.13 116.25 122.39 3hqr h VAL 226 Ca 0.04 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.72 3hqr h VAL 226 Cb 0.81 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3hqr h VAL 226 CO 0.07 0.53 -0.20 0.03 0.02 0.00 0.00 177.57 178.01 3hqr h ARG 227 N 0.20 0.73 -0.05 1.57 3.08 -1.29 0.46 114.38 119.09 3hqr h ARG 227 Ca -0.02 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3hqr h ARG 227 Cb 1.08 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3hqr h ARG 227 CO 0.10 0.88 0.03 0.00 -1.07 0.00 0.00 179.97 179.90 3hqr h ALA 228 N 1.13 0.07 -0.81 0.04 0.00 -0.66 0.27 119.26 119.30 3hqr h ALA 228 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hqr h ALA 228 Cb 0.69 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3hqr h ALA 228 CO 0.05 -0.40 0.49 -0.07 0.00 0.00 0.00 179.25 179.33 3hqr h LEU 229 N 0.01 0.78 -0.92 0.00 3.38 -0.36 -1.33 115.31 116.86 3hqr h LEU 229 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hqr h LEU 229 Cb 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3hqr h LEU 229 CO -0.00 0.51 0.26 -0.74 0.09 0.00 0.00 178.44 178.56 3hqr h HIS 230 N 0.91 1.07 0.00 1.13 2.76 0.68 -2.17 115.15 119.54 3hqr h HIS 230 Ca 0.35 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3hqr h HIS 230 Cb 0.14 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.78 3hqr h HIS 230 CO -0.04 0.83 0.00 -0.25 -1.30 0.00 0.00 177.93 177.16 3hqr n ASP 231 N -4.28 0.27 0.01 3.26 8.00 0.89 -0.45 116.55 124.24 3hqr n ASP 231 Ca 0.06 0.58 0.10 0.00 0.71 0.00 0.00 54.79 56.24 3hqr n ASP 231 Cb 0.19 -0.63 0.46 0.00 -0.02 0.00 0.00 41.12 41.12 3hqr n ASP 231 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hqr n THR 232 N -1.81 0.54 -0.89 -3.53 -2.24 -0.81 -4.82 114.28 100.71 3hqr n THR 232 Ca 0.02 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3hqr n THR 232 Cb 0.16 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3hqr n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqr n GLY 233 N 0.70 0.28 0.19 3.38 0.00 0.41 -4.87 105.19 105.28 3hqr n GLY 233 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3hqr n GLY 233 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqr h LYS 234 N 0.70 0.09 -6.24 1.61 2.10 -1.74 -3.46 116.57 109.62 3hqr h LYS 234 Ca 0.00 -0.04 -0.58 0.00 -2.00 0.00 0.00 60.65 58.03 3hqr h LYS 234 Cb 0.38 -0.00 0.19 0.00 -0.90 0.00 0.00 32.23 31.90 3hqr h LYS 234 CO 0.00 0.47 -0.93 1.19 -2.00 0.00 0.00 179.45 178.18 3hqr n PHE 235 N -4.05 -2.29 -4.42 0.07 0.99 -1.26 -4.96 117.46 101.53 3hqr n PHE 235 Ca -0.02 0.37 -0.20 0.00 -0.00 0.00 0.00 57.45 57.61 3hqr n PHE 235 Cb 0.44 -1.76 -0.14 0.00 -1.00 0.00 0.00 39.48 37.02 3hqr n PHE 235 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3hqr s THR 236 N -1.92 0.91 0.20 4.37 -4.23 0.13 -4.76 115.64 110.34 3hqr s THR 236 Ca 0.59 -0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 3hqr s THR 236 Cb -0.42 -0.79 -0.17 0.00 1.34 0.00 0.00 72.50 72.47 3hqr s THR 236 CO 0.64 0.14 0.70 0.47 -0.54 0.00 0.00 174.62 176.04 3hqr n ASP 237 N 2.49 -0.47 -4.77 3.99 8.00 -1.26 -0.28 116.55 124.25 3hqr n ASP 237 Ca -0.15 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.08 3hqr n ASP 237 Cb 0.56 -1.03 -0.01 0.00 -0.02 0.00 0.00 41.12 40.61 3hqr n ASP 237 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hqr s GLY 238 N -0.77 2.72 0.27 0.44 0.00 0.55 -4.72 107.32 105.82 3hqr s GLY 238 Ca 0.66 1.42 0.09 0.00 0.00 0.00 0.00 44.72 46.89 3hqr s GLY 238 CO 0.57 2.19 0.07 1.20 0.00 0.00 0.00 173.10 177.13 3hqr s GLN 239 N -1.43 2.49 0.18 2.90 -1.52 -1.26 -4.76 119.66 116.26 3hqr s GLN 239 Ca 0.54 -1.32 0.05 0.00 -1.95 0.00 0.00 55.36 52.68 3hqr s GLN 239 Cb -0.44 -2.28 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 3hqr s GLN 239 CO 0.54 0.35 0.14 -0.51 -0.25 0.00 0.00 175.29 175.55 3hqr s LEU 240 N -3.74 3.77 0.13 2.90 2.01 -1.26 -5.03 118.68 117.46 3hqr s LEU 240 Ca 0.33 -0.16 -0.27 0.00 0.01 0.00 0.00 54.13 54.03 3hqr s LEU 240 Cb -0.06 -2.37 -0.04 0.00 0.01 0.00 0.00 46.19 43.72 3hqr s LEU 240 CO 0.22 0.06 1.60 0.58 1.01 0.00 0.00 176.35 179.81 3hqr h VAL 241 N 2.00 0.23 -3.23 -1.59 2.07 -2.00 -3.29 116.25 110.43 3hqr h VAL 241 Ca -0.48 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.41 3hqr h VAL 241 Cb 1.21 0.23 -0.41 0.00 -1.52 0.00 0.00 31.29 30.80 3hqr h VAL 241 CO 0.63 0.00 -0.65 -0.55 0.02 0.00 0.00 177.57 177.01 3hqr s SER 242 N -4.89 4.17 0.21 0.57 0.15 -1.26 -5.09 113.70 107.56 3hqr s SER 242 Ca -0.15 -3.03 -0.30 0.00 0.70 0.00 0.00 55.95 53.16 3hqr s SER 242 Cb 0.10 -1.47 -0.16 0.00 -1.71 0.00 0.00 66.02 62.78 3hqr s SER 242 CO 0.65 -0.22 0.97 0.00 1.20 0.00 0.00 173.24 175.85 3hqr n GLN 243 N 3.06 0.94 -3.73 5.44 3.00 -1.24 -5.00 117.38 119.85 3hqr n GLN 243 Ca 0.08 0.33 -0.07 0.00 -0.01 0.00 0.00 57.00 57.34 3hqr n GLN 243 Cb 0.33 -1.69 0.03 0.00 0.00 0.00 0.00 30.24 28.91 3hqr n GLN 243 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3hqr n LYS 244 N 1.21 0.95 -1.16 -1.09 4.81 -1.26 -5.11 118.16 116.51 3hqr n LYS 244 Ca 0.14 -1.93 0.00 0.00 -0.87 0.00 0.00 58.31 55.66 3hqr n LYS 244 Cb 0.27 2.46 -0.00 0.00 0.02 0.00 0.00 35.03 37.77 3hqr n LYS 244 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hqr n SER 245 N -1.44 -6.27 -0.00 3.14 2.88 -1.26 -4.38 113.62 106.28 3hqr n SER 245 Ca -0.06 1.39 -0.00 0.00 -1.33 0.00 0.00 58.87 58.86 3hqr n SER 245 Cb 0.57 -3.52 -0.00 0.00 -0.75 0.00 0.00 64.21 60.51 3hqr n SER 245 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hqr n ASP 246 N -2.37 -0.00 -4.31 -3.46 10.43 -1.26 -4.50 116.55 111.07 3hqr n ASP 246 Ca -0.00 0.13 -0.18 0.00 2.57 0.00 0.00 54.79 57.31 3hqr n ASP 246 Cb 0.36 -0.06 -0.10 0.00 1.84 0.00 0.00 41.12 43.16 3hqr n ASP 246 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3hqr s SER 247 N -3.06 2.34 0.48 -2.24 0.15 -1.26 -5.01 113.70 105.09 3hqr s SER 247 Ca -0.00 -0.98 0.25 0.00 0.70 0.00 0.00 55.95 55.92 3hqr s SER 247 Cb 0.00 -0.10 1.17 0.00 -1.71 0.00 0.00 66.02 65.38 3hqr s SER 247 CO 0.00 -0.19 1.94 0.77 1.20 0.00 0.00 173.24 176.96 3hqr h SER 248 N 2.78 0.00 0.43 5.45 4.64 -1.79 -0.67 113.55 124.40 3hqr h SER 248 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3hqr h SER 248 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hqr h SER 248 CO 0.60 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 177.03 3hqr n LYS 249 N -3.52 0.08 0.22 4.77 5.02 -1.25 -0.83 118.16 122.66 3hqr n LYS 249 Ca -0.01 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 3hqr n LYS 249 Cb 0.34 -1.68 0.25 0.00 -0.02 0.00 0.00 35.03 33.92 3hqr n LYS 249 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3hqr h ASP 250 N 0.00 0.00 0.00 4.39 3.45 -1.48 -3.37 116.42 119.41 3hqr h ASP 250 Ca 0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 3hqr h ASP 250 Cb 0.22 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.96 3hqr h ASP 250 CO 0.00 0.05 -1.50 -0.38 -1.57 0.00 0.00 179.24 175.84 3hqr n ILE 251 N -3.12 1.40 -4.48 0.35 2.08 -0.10 -4.80 119.36 110.69 3hqr n ILE 251 Ca 0.03 -0.04 -0.23 0.00 0.56 0.00 0.00 62.75 63.07 3hqr n ILE 251 Cb 0.51 -2.07 -0.16 0.00 -0.75 0.00 0.00 39.64 37.17 3hqr n ILE 251 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hqr s ARG 252 N -2.64 1.40 -0.28 0.38 1.70 -0.01 0.01 118.95 119.51 3hqr s ARG 252 Ca -0.29 -0.34 0.12 0.00 -0.47 0.00 0.00 55.73 54.75 3hqr s ARG 252 Cb 0.08 -1.21 0.66 0.00 -0.57 0.00 0.00 34.95 33.91 3hqr s ARG 252 CO 0.39 0.03 1.66 0.41 -1.08 0.00 0.00 175.30 176.71 3hqr n GLY 253 N 3.74 3.93 3.94 3.88 0.00 0.24 -3.94 105.19 116.97 3hqr n GLY 253 Ca -0.23 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3hqr n GLY 253 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqr s ASP 254 N -1.49 6.31 -0.04 1.61 3.84 -1.26 -4.45 116.67 121.20 3hqr s ASP 254 Ca 0.50 0.40 0.02 0.00 -0.00 0.00 0.00 52.55 53.47 3hqr s ASP 254 Cb 0.41 -2.01 -0.03 0.00 -1.38 0.00 0.00 42.92 39.91 3hqr s ASP 254 CO 0.10 -0.23 -0.07 -0.54 -0.00 0.00 0.00 175.17 174.43 3hqr s LYS 255 N -4.13 2.67 0.24 2.11 -0.14 0.13 -0.33 119.74 120.30 3hqr s LYS 255 Ca 0.39 -0.62 -0.01 0.00 -1.36 0.00 0.00 55.97 54.38 3hqr s LYS 255 Cb -0.10 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 3hqr s LYS 255 CO 0.34 0.64 0.23 0.96 -0.76 0.00 0.00 175.35 176.76 3hqr s ILE 256 N -0.89 0.00 -0.07 2.17 -4.36 0.61 -0.49 121.20 118.17 3hqr s ILE 256 Ca 0.14 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.39 3hqr s ILE 256 Cb -0.11 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.18 3hqr s ILE 256 CO 0.04 0.00 0.54 0.28 0.24 0.00 0.00 174.94 176.04 3hqr s THR 257 N -3.90 0.02 -0.12 8.37 -1.32 -0.26 0.23 115.64 118.65 3hqr s THR 257 Ca 0.37 -0.15 -0.06 0.00 -1.21 0.00 0.00 61.69 60.64 3hqr s THR 257 Cb 0.05 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 3hqr s THR 257 CO 0.16 -0.08 0.12 0.26 -2.21 0.00 0.00 174.62 172.86 3hqr s TRP 258 N -0.92 3.51 -0.04 9.09 0.52 -1.26 0.10 118.94 129.95 3hqr s TRP 258 Ca -0.09 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.51 3hqr s TRP 258 Cb -0.02 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 3hqr s TRP 258 CO 0.06 0.65 -0.13 0.42 0.02 0.00 0.00 176.95 177.97 3hqr s ILE 259 N -0.86 1.13 -0.31 2.03 1.09 0.02 -4.94 121.20 119.35 3hqr s ILE 259 Ca 0.14 -0.54 0.22 0.00 -1.10 0.00 0.00 60.65 59.37 3hqr s ILE 259 Cb -0.12 -0.99 0.14 0.00 -1.06 0.00 0.00 42.46 40.43 3hqr s ILE 259 CO 0.03 0.34 1.29 -0.33 -0.10 0.00 0.00 174.94 176.17 3hqr h GLU 260 N 6.45 0.00 0.00 2.79 5.08 -1.95 0.24 114.58 127.19 3hqr h GLU 260 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hqr h GLU 260 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hqr h GLU 260 CO 0.48 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 3hqr n GLY 261 N 1.16 0.33 0.52 -3.84 0.00 -1.26 -4.86 105.19 97.24 3hqr n GLY 261 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3hqr n GLY 261 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqr n LYS 262 N -1.96 2.75 -2.23 1.61 5.02 -1.26 -3.46 118.16 118.63 3hqr n LYS 262 Ca 0.00 -1.91 -0.38 0.00 -2.02 0.00 0.00 58.31 54.00 3hqr n LYS 262 Cb 0.00 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3hqr n LYS 262 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hqr s GLU 263 N -0.99 3.82 0.22 1.97 8.01 -1.26 -4.93 118.70 125.54 3hqr s GLU 263 Ca 0.19 1.85 -0.30 0.00 0.01 0.00 0.00 54.97 56.71 3hqr s GLU 263 Cb 0.10 -2.50 -0.09 0.00 -4.31 0.00 0.00 34.13 27.33 3hqr s GLU 263 CO 0.13 -0.52 1.28 -1.25 0.01 0.00 0.00 175.26 174.92 3hqr s PRO 264 N -2.56 4.41 0.00 0.39 0.04 -1.26 -1.90 135.00 134.12 3hqr s PRO 264 Ca 0.62 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.69 3hqr s PRO 264 Cb -0.30 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3hqr s PRO 264 CO 0.38 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3hqr n GLY 265 N 2.10 0.70 0.84 0.56 0.00 -1.26 -4.86 105.19 103.27 3hqr n GLY 265 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3hqr n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqr h GLU 267 N 0.37 0.13 0.00 0.00 4.57 -1.76 -0.01 114.58 117.90 3hqr h GLU 267 Ca -0.08 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 3hqr h GLU 267 Cb 1.56 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.11 3hqr h GLU 267 CO 0.04 0.31 -0.57 1.15 -1.18 0.00 0.00 179.01 178.76 3hqr h THR 268 N 0.13 1.03 -0.11 0.32 2.02 -1.89 0.03 112.91 114.44 3hqr h THR 268 Ca 0.02 -2.31 -0.19 0.00 0.77 0.00 0.00 66.41 64.71 3hqr h THR 268 Cb 0.39 2.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3hqr h THR 268 CO 0.03 0.56 -0.71 0.40 0.37 0.00 0.00 175.52 176.16 3hqr h ILE 269 N 0.00 1.35 -0.58 3.11 2.04 -1.71 0.45 117.51 122.18 3hqr h ILE 269 Ca -0.01 -2.05 0.02 0.00 1.00 0.00 0.00 64.86 63.82 3hqr h ILE 269 Cb 1.36 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 3hqr h ILE 269 CO 0.07 0.63 0.36 1.23 0.00 0.00 0.00 178.15 180.44 3hqr h GLY 270 N 1.11 0.82 0.59 5.37 0.00 -0.68 0.17 103.07 110.45 3hqr h GLY 270 Ca -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.08 3hqr h GLY 270 CO 0.13 0.24 0.08 -2.00 0.00 0.00 0.00 176.54 174.99 3hqr h LEU 271 N 0.71 0.04 0.11 3.11 5.85 -0.31 0.21 115.31 125.04 3hqr h LEU 271 Ca 0.23 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3hqr h LEU 271 Cb 0.00 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hqr h LEU 271 CO -0.09 0.06 -0.20 0.25 -0.34 0.00 0.00 178.44 178.12 3hqr h LEU 272 N 0.21 -0.56 -0.89 2.25 5.85 -0.06 -0.22 115.31 121.90 3hqr h LEU 272 Ca 0.17 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3hqr h LEU 272 Cb 0.19 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 3hqr h LEU 272 CO -0.21 -0.29 0.52 0.24 -0.34 0.00 0.00 178.44 178.36 3hqr h MET 273 N -0.39 0.81 -0.01 1.25 2.86 0.00 0.21 114.93 119.67 3hqr h MET 273 Ca 0.03 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3hqr h MET 273 Cb 0.40 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3hqr h MET 273 CO -0.11 0.54 -0.51 0.66 1.06 0.00 0.00 176.91 178.55 3hqr h SER 274 N 0.84 0.03 -0.11 1.22 4.64 -0.17 0.32 113.55 120.31 3hqr h SER 274 Ca 0.44 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 3hqr h SER 274 Cb 0.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hqr h SER 274 CO -0.27 0.53 -0.28 0.28 -0.87 0.00 0.00 176.83 176.22 3hqr h SER 275 N 0.02 0.44 -0.25 4.97 0.02 0.85 0.02 113.55 119.61 3hqr h SER 275 Ca -0.00 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 3hqr h SER 275 Cb 0.90 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3hqr h SER 275 CO 0.07 0.95 0.05 0.24 -1.14 0.00 0.00 176.83 176.99 3hqr h MET 276 N -0.05 0.14 -1.00 3.45 2.86 -0.53 -1.43 114.93 118.38 3hqr h MET 276 Ca -0.00 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3hqr h MET 276 Cb 0.89 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.46 3hqr h MET 276 CO 0.06 0.09 0.65 -0.44 1.06 0.00 0.00 176.91 178.34 3hqr h ASP 277 N 0.15 1.05 -0.72 1.22 3.45 -0.84 -1.42 116.42 119.31 3hqr h ASP 277 Ca 0.11 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 3hqr h ASP 277 Cb 0.11 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 3hqr h ASP 277 CO -0.15 0.68 0.33 -0.78 -1.57 0.00 0.00 179.24 177.75 3hqr h ASP 278 N 1.19 0.95 -0.11 6.45 -0.00 -0.17 0.19 116.42 124.92 3hqr h ASP 278 Ca 0.43 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.03 57.31 3hqr h ASP 278 Cb 0.14 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.22 3hqr h ASP 278 CO -0.16 0.82 0.03 -0.07 -0.00 0.00 0.00 179.24 179.86 3hqr h LEU 279 N 1.01 0.16 -0.70 2.28 3.38 -0.57 -0.75 115.31 120.13 3hqr h LEU 279 Ca 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hqr h LEU 279 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hqr h LEU 279 CO -0.03 0.33 0.40 0.40 0.09 0.00 0.00 178.44 179.63 3hqr h ILE 280 N -0.01 1.21 -0.68 1.22 1.08 -1.09 -2.29 117.51 116.95 3hqr h ILE 280 Ca 0.04 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3hqr h ILE 280 Cb 0.22 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 3hqr h ILE 280 CO -0.00 0.22 0.44 0.03 -0.69 0.00 0.00 178.15 178.15 3hqr h ARG 281 N 0.95 0.86 0.00 2.37 3.08 -0.40 -1.96 114.38 119.29 3hqr h ARG 281 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3hqr h ARG 281 Cb 0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3hqr h ARG 281 CO -0.04 0.57 0.00 0.72 -1.07 0.00 0.00 179.97 180.14 3hqr n HIS 282 N -4.64 0.00 1.81 3.04 8.25 -0.31 -1.76 115.22 121.62 3hqr n HIS 282 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 3hqr n HIS 282 Cb 0.05 -0.22 0.59 0.00 1.12 0.00 0.00 29.99 31.53 3hqr n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hqr n ASN 284 N -0.54 0.00 -1.88 0.00 4.13 -0.72 -0.47 115.26 115.77 3hqr n ASN 284 Ca 0.17 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.35 3hqr n ASN 284 Cb 0.15 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 38.66 3hqr n ASN 284 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hqr n GLY 285 N 0.00 3.97 1.52 7.41 0.00 -1.26 -4.56 105.19 112.28 3hqr n GLY 285 Ca 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.06 3hqr n GLY 285 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hqr n LYS 286 N -0.46 3.63 -3.04 1.61 3.00 0.38 -4.68 118.16 118.60 3hqr n LYS 286 Ca 0.42 -2.65 -0.45 0.00 -0.00 0.00 0.00 58.31 55.63 3hqr n LYS 286 Cb 1.38 -1.89 -0.03 0.00 0.00 0.00 0.00 35.03 34.49 3hqr n LYS 286 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hqr s LEU 287 N -1.81 5.42 0.00 3.14 1.43 -1.26 -4.82 118.68 120.78 3hqr s LEU 287 Ca 0.47 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 3hqr s LEU 287 Cb 0.31 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3hqr s LEU 287 CO 0.22 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.40 3hqr n GLY 288 N 5.11 2.81 1.31 -3.19 0.00 -1.26 -1.67 105.19 108.30 3hqr n GLY 288 Ca 0.12 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.83 3hqr n GLY 288 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hqr n SER 289 N 1.35 4.16 -4.75 1.61 2.88 -1.26 -5.00 113.62 112.61 3hqr n SER 289 Ca 0.00 -2.28 -0.40 0.00 -1.33 0.00 0.00 58.87 54.86 3hqr n SER 289 Cb 0.00 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 3hqr n SER 289 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hqr s TYR 290 N -1.52 3.93 -0.55 0.66 2.02 -0.67 -5.02 117.35 116.19 3hqr s TYR 290 Ca 0.45 1.88 -0.02 0.00 -0.37 0.00 0.00 57.07 59.01 3hqr s TYR 290 Cb 0.27 -3.02 0.14 0.00 -0.40 0.00 0.00 41.96 38.95 3hqr s TYR 290 CO 0.25 0.31 0.35 0.21 -1.57 0.00 0.00 175.55 175.10 3hqr s LYS 291 N -1.11 2.33 -0.26 -0.62 2.36 -1.26 -4.54 119.74 116.64 3hqr s LYS 291 Ca 0.42 -2.34 -0.29 0.00 -2.55 0.00 0.00 55.97 51.21 3hqr s LYS 291 Cb -0.27 -3.64 -0.00 0.00 -1.05 0.00 0.00 37.83 32.87 3hqr s LYS 291 CO 0.33 -1.14 1.27 0.42 1.55 0.00 0.00 175.35 177.79 3hqr s ILE 292 N 0.25 4.21 0.00 5.43 -1.09 -1.26 0.23 121.20 128.98 3hqr s ILE 292 Ca 0.15 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.97 3hqr s ILE 292 Cb -0.21 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 3hqr s ILE 292 CO -0.03 -0.37 0.50 -0.46 -1.23 0.00 0.00 174.94 173.35 3hqr n ASN 293 N 7.26 0.96 -3.66 3.58 6.94 -1.08 -4.92 115.26 124.35 3hqr n ASN 293 Ca 0.14 -1.17 0.01 0.00 -0.02 0.00 0.00 54.58 53.55 3hqr n ASN 293 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 3hqr n ASN 293 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3hqr s GLY 294 N -0.17 -0.29 0.27 4.83 0.00 -1.25 -5.03 107.32 105.68 3hqr s GLY 294 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 3hqr s GLY 294 CO 0.00 1.56 0.51 1.09 0.00 0.00 0.00 173.10 176.26 3hqr s ARG 295 N -2.38 1.65 0.82 2.90 1.70 -1.26 0.57 118.95 122.95 3hqr s ARG 295 Ca 0.18 -1.32 -0.11 0.00 -0.47 0.00 0.00 55.73 54.01 3hqr s ARG 295 Cb 0.03 0.48 0.11 0.00 -0.57 0.00 0.00 34.95 35.00 3hqr s ARG 295 CO -0.02 -0.70 1.16 0.95 -1.08 0.00 0.00 175.30 175.62 3hqr s THR 296 N -3.77 2.08 0.99 4.99 -4.23 -0.25 -4.94 115.64 110.51 3hqr s THR 296 Ca 0.23 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 3hqr s THR 296 Cb -0.01 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 71.04 3hqr s THR 296 CO 0.11 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.74 3hqr s LYS 297 N -5.55 0.53 0.19 3.99 1.02 -1.26 -4.62 119.74 114.04 3hqr s LYS 297 Ca 0.65 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 3hqr s LYS 297 Cb -0.09 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 3hqr s LYS 297 CO 0.49 -2.66 1.14 0.00 -0.92 0.00 0.00 175.35 173.40 3hqr s ALA 298 N -2.99 3.40 -0.51 5.17 0.00 0.84 -4.67 121.76 123.00 3hqr s ALA 298 Ca 0.65 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 3hqr s ALA 298 Cb -0.18 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.66 3hqr s ALA 298 CO 0.57 -0.27 0.48 1.41 0.00 0.00 0.00 175.76 177.94 3hqr s MET 299 N -0.45 3.00 -0.35 0.00 1.75 0.45 -0.80 119.30 122.90 3hqr s MET 299 Ca 0.50 -1.42 -0.27 0.00 -1.25 0.00 0.00 55.69 53.25 3hqr s MET 299 Cb -0.31 -4.20 0.01 0.00 2.84 0.00 0.00 34.83 33.18 3hqr s MET 299 CO 0.36 -1.19 0.97 0.08 -0.65 0.00 0.00 175.02 174.59 3hqr s VAL 300 N 1.81 4.57 0.17 10.11 1.01 0.12 -0.66 120.40 137.52 3hqr s VAL 300 Ca 0.05 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.48 3hqr s VAL 300 Cb -0.26 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 3hqr s VAL 300 CO 0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 175.10 174.60 3hqr s ALA 301 N 3.52 3.07 -0.16 5.51 0.00 0.24 -1.10 121.76 132.84 3hqr s ALA 301 Ca 0.40 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 3hqr s ALA 301 Cb -0.12 -0.87 0.07 0.00 0.00 0.00 0.00 23.12 22.20 3hqr s ALA 301 CO 0.18 0.49 0.34 0.00 0.00 0.00 0.00 175.76 176.77 3hqr s TYR 303 N 2.14 3.14 0.54 0.00 1.51 0.19 0.20 117.35 125.07 3hqr s TYR 303 Ca -0.03 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.45 3hqr s TYR 303 Cb -0.11 -3.31 0.25 0.00 -0.11 0.00 0.00 41.96 38.68 3hqr s TYR 303 CO -0.11 -0.90 0.93 -2.30 -1.11 0.00 0.00 175.55 172.06 3hqr n PRO 304 N 5.74 0.02 -0.37 -1.71 -0.02 -1.26 -1.16 135.00 136.24 3hqr n PRO 304 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hqr n PRO 304 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3hqr n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqr n GLY 305 N -1.42 0.77 1.99 -1.23 0.00 -1.22 -3.58 105.19 100.51 3hqr n GLY 305 Ca 0.07 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3hqr n GLY 305 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hqr n ASN 306 N 0.70 3.71 0.00 1.61 3.02 -1.17 -2.59 115.26 120.54 3hqr n ASN 306 Ca 0.00 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 3hqr n ASN 306 Cb 0.00 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3hqr n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hqr n GLY 307 N -1.13 0.74 3.85 7.41 0.00 0.82 -4.99 105.19 111.89 3hqr n GLY 307 Ca 0.54 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 3hqr n GLY 307 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hqr s THR 308 N -2.23 4.58 0.00 2.61 -4.23 -1.23 -4.35 115.64 110.79 3hqr s THR 308 Ca 0.00 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 3hqr s THR 308 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 3hqr s THR 308 CO 0.00 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 3hqr n GLY 309 N -1.81 3.80 2.66 3.99 0.00 -1.26 -0.35 105.19 112.23 3hqr n GLY 309 Ca 0.06 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3hqr n GLY 309 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hqr s TYR 310 N -1.10 0.23 1.08 1.61 6.14 0.27 0.79 117.35 126.37 3hqr s TYR 310 Ca 0.00 -0.09 -0.15 0.00 0.64 0.00 0.00 57.07 57.48 3hqr s TYR 310 Cb 0.00 -0.63 0.15 0.00 0.42 0.00 0.00 41.96 41.90 3hqr s TYR 310 CO 0.00 -0.36 0.52 1.33 0.64 0.00 0.00 175.55 177.68 3hqr n VAL 311 N 5.26 0.00 -1.74 3.14 0.24 0.10 -1.14 118.33 124.19 3hqr n VAL 311 Ca -0.05 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 3hqr n VAL 311 Cb 0.49 -0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 3hqr n VAL 311 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hqr s ARG 312 N -3.91 4.12 0.31 7.34 3.52 -1.26 -4.50 118.95 124.58 3hqr s ARG 312 Ca 0.61 2.60 -0.16 0.00 -0.13 0.00 0.00 55.73 58.65 3hqr s ARG 312 Cb -0.19 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3hqr s ARG 312 CO 0.65 -0.73 0.66 -3.38 -0.81 0.00 0.00 175.30 171.70 3hqr s HIS 313 N 0.94 0.13 -0.13 5.12 -3.43 0.11 -4.89 115.29 113.14 3hqr s HIS 313 Ca 0.72 -0.60 0.01 0.00 -0.80 0.00 0.00 55.06 54.40 3hqr s HIS 313 Cb -0.49 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.21 3hqr s HIS 313 CO 0.35 -1.26 -0.18 0.08 -2.00 0.00 0.00 174.74 171.73 3hqr s VAL 314 N -3.45 2.54 0.18 -5.38 1.01 -1.26 -0.37 120.40 113.67 3hqr s VAL 314 Ca 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3hqr s VAL 314 Cb -0.04 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.37 3hqr s VAL 314 CO 0.10 0.53 1.75 0.44 0.00 0.00 0.00 175.10 177.92 3hqr h ASP 315 N 6.98 0.16 -2.78 3.32 3.32 -1.80 -3.33 116.42 122.29 3hqr h ASP 315 Ca -0.27 0.06 -0.61 0.00 0.02 0.00 0.00 57.03 56.23 3hqr h ASP 315 Cb 1.21 0.04 -0.40 0.00 0.22 0.00 0.00 39.33 40.40 3hqr h ASP 315 CO 0.54 0.12 -0.75 0.21 -1.72 0.00 0.00 179.24 177.64 3hqr s ASN 316 N -5.38 3.30 0.31 6.45 2.47 -0.14 -4.94 114.94 117.02 3hqr s ASN 316 Ca -0.13 -3.49 0.17 0.00 0.42 0.00 0.00 52.86 49.83 3hqr s ASN 316 Cb 0.14 -1.09 0.13 0.00 -1.45 0.00 0.00 41.25 38.98 3hqr s ASN 316 CO 0.72 -0.12 1.47 1.55 -3.72 0.00 0.00 177.10 177.00 3hqr h PRO 317 N 5.52 0.00 -0.01 0.43 0.13 -1.81 -3.36 132.00 132.90 3hqr h PRO 317 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3hqr h PRO 317 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3hqr h PRO 317 CO 0.56 0.36 -0.53 0.27 -0.23 0.00 0.00 178.00 178.43 3hqr n ASN 318 N -3.18 1.59 -0.71 1.44 6.94 -1.26 -4.85 115.26 115.23 3hqr n ASN 318 Ca 0.02 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 3hqr n ASN 318 Cb 0.68 0.61 0.00 0.00 -2.36 0.00 0.00 39.78 38.71 3hqr n ASN 318 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hqr n GLY 319 N 1.33 0.71 0.50 4.83 0.00 -1.26 -4.97 105.19 106.33 3hqr n GLY 319 Ca 0.07 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.78 3hqr n GLY 319 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hqr n ASP 320 N -0.71 1.49 0.00 1.61 3.85 -1.26 -4.46 116.55 117.08 3hqr n ASP 320 Ca 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.37 3hqr n ASP 320 Cb 0.28 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3hqr n ASP 320 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hqr n GLY 321 N 1.08 2.87 3.64 6.12 0.00 -1.26 -4.67 105.19 112.98 3hqr n GLY 321 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3hqr n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hqr s ARG 322 N -0.75 3.99 -0.14 1.61 0.52 -1.26 -0.91 118.95 122.00 3hqr s ARG 322 Ca 0.00 1.61 0.05 0.00 -0.52 0.00 0.00 55.73 56.87 3hqr s ARG 322 Cb 0.00 -3.91 -0.12 0.00 0.52 0.00 0.00 34.95 31.44 3hqr s ARG 322 CO 0.00 -1.03 -0.07 0.00 0.02 0.00 0.00 175.30 174.21 3hqr s VAL 324 N -2.30 1.56 -0.18 0.00 1.01 -1.16 -0.39 120.40 118.94 3hqr s VAL 324 Ca -0.16 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3hqr s VAL 324 Cb 0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3hqr s VAL 324 CO 0.41 0.45 0.10 -0.89 0.00 0.00 0.00 175.10 175.17 3hqr s THR 325 N 0.44 5.15 -0.11 3.92 2.01 0.47 0.02 115.64 127.55 3hqr s THR 325 Ca -0.15 0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.96 3hqr s THR 325 Cb -0.16 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.04 3hqr s THR 325 CO 0.06 0.48 -0.15 0.00 -0.69 0.00 0.00 174.62 174.31 3hqr s ILE 327 N 1.00 1.35 -0.17 0.00 1.01 0.23 -0.52 121.20 124.09 3hqr s ILE 327 Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3hqr s ILE 327 Cb -0.15 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.21 3hqr s ILE 327 CO -0.02 0.38 -0.19 -0.47 0.00 0.00 0.00 174.94 174.65 3hqr s TYR 328 N -0.37 2.77 0.18 3.97 5.04 0.12 0.19 117.35 129.25 3hqr s TYR 328 Ca 0.06 -1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 53.15 3hqr s TYR 328 Cb -0.07 -1.91 -0.06 0.00 0.35 0.00 0.00 41.96 40.27 3hqr s TYR 328 CO -0.00 -0.71 0.45 0.71 -1.34 0.00 0.00 175.55 174.65 3hqr s TYR 329 N 1.16 3.46 -0.08 4.97 2.02 0.50 -0.06 117.35 129.31 3hqr s TYR 329 Ca 0.01 0.71 0.12 0.00 -0.37 0.00 0.00 57.07 57.55 3hqr s TYR 329 Cb -0.14 -2.13 0.20 0.00 -0.40 0.00 0.00 41.96 39.49 3hqr s TYR 329 CO -0.09 0.37 1.10 1.28 -1.57 0.00 0.00 175.55 176.64 3hqr n LEU 330 N 0.04 1.50 -4.37 -1.29 4.77 -0.82 -1.13 117.00 115.70 3hqr n LEU 330 Ca -0.01 -2.36 -0.45 0.00 -0.03 0.00 0.00 56.01 53.15 3hqr n LEU 330 Cb 0.52 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3hqr n LEU 330 CO 0.47 0.57 0.45 0.20 -1.33 0.00 0.00 177.39 177.75 3hqr s ASN 331 N -2.21 6.29 0.34 -1.43 0.01 -1.20 -4.69 114.94 112.04 3hqr s ASN 331 Ca 0.21 -1.66 -0.28 0.00 -0.71 0.00 0.00 52.86 50.41 3hqr s ASN 331 Cb 0.19 -2.29 -0.12 0.00 0.41 0.00 0.00 41.25 39.44 3hqr s ASN 331 CO 0.01 -1.03 1.38 0.29 -1.51 0.00 0.00 177.10 176.23 3hqr n LYS 332 N 6.00 2.31 -4.25 -0.60 4.76 -1.26 -1.02 118.16 124.10 3hqr n LYS 332 Ca -0.04 0.81 -0.32 0.00 -2.87 0.00 0.00 58.31 55.89 3hqr n LYS 332 Cb 0.43 -2.45 -0.09 0.00 -1.84 0.00 0.00 35.03 31.08 3hqr n LYS 332 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3hqr n ASP 333 N 0.91 0.11 -4.67 4.39 8.00 -1.26 -4.82 116.55 119.21 3hqr n ASP 333 Ca 0.05 -1.19 -0.43 0.00 0.71 0.00 0.00 54.79 53.93 3hqr n ASP 333 Cb 0.36 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 39.95 3hqr n ASP 333 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3hqr s TRP 334 N -3.94 3.21 -0.37 1.24 -0.11 -1.14 -4.98 118.94 112.85 3hqr s TRP 334 Ca 0.24 1.33 0.01 0.00 1.22 0.00 0.00 56.10 58.90 3hqr s TRP 334 Cb -0.14 -3.34 0.11 0.00 -1.50 0.00 0.00 33.47 28.59 3hqr s TRP 334 CO 0.94 -0.89 0.12 0.34 -4.62 0.00 0.00 176.95 172.84 3hqr s ASP 335 N 1.44 4.94 0.56 5.86 -1.08 -1.26 -4.87 116.67 122.26 3hqr s ASP 335 Ca 0.49 -2.14 0.24 0.00 -0.52 0.00 0.00 52.55 50.62 3hqr s ASP 335 Cb -0.19 -1.70 1.59 0.00 -1.46 0.00 0.00 42.92 41.16 3hqr s ASP 335 CO 0.12 -0.44 2.20 0.00 0.52 0.00 0.00 175.17 177.58 3hqr h ALA 336 N 7.73 1.75 0.00 3.66 0.00 -1.91 0.50 119.26 131.00 3hqr h ALA 336 Ca -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hqr h ALA 336 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hqr h ALA 336 CO 0.59 -0.03 -0.00 0.87 0.00 0.00 0.00 179.25 180.68 3hqr h LYS 337 N 0.00 0.00 0.00 0.00 1.79 -1.93 0.46 116.57 116.89 3hqr h LYS 337 Ca 0.01 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.15 3hqr h LYS 337 Cb 0.05 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 3hqr h LYS 337 CO -0.00 0.00 -2.09 0.28 -1.08 0.00 0.00 179.45 176.57 3hqr n VAL 338 N -4.30 1.39 0.52 0.50 0.31 0.75 -4.69 118.33 112.81 3hqr n VAL 338 Ca -0.03 -0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.18 3hqr n VAL 338 Cb 0.09 -1.93 0.23 0.00 -0.91 0.00 0.00 33.84 31.32 3hqr n VAL 338 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3hqr n SER 339 N -4.17 3.17 0.00 4.52 7.64 0.14 -4.81 113.62 120.12 3hqr n SER 339 Ca -0.42 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.51 3hqr n SER 339 Cb 0.77 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 3hqr n SER 339 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hqr n GLY 340 N 1.44 3.47 2.57 0.23 0.00 0.16 0.28 105.19 113.34 3hqr n GLY 340 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3hqr n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqr n GLY 341 N 0.00 0.60 3.75 -0.02 0.00 0.53 -4.10 105.19 105.96 3hqr n GLY 341 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3hqr n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqr s ILE 342 N -1.74 2.67 -0.42 -0.61 -1.09 -1.26 -4.33 121.20 114.42 3hqr s ILE 342 Ca 0.00 0.60 -0.20 0.00 -2.23 0.00 0.00 60.65 58.81 3hqr s ILE 342 Cb 0.00 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 3hqr s ILE 342 CO 0.00 0.11 0.63 -0.22 -1.23 0.00 0.00 174.94 174.23 3hqr s LEU 343 N -0.86 4.47 -0.25 2.97 2.96 0.23 0.55 118.68 128.75 3hqr s LEU 343 Ca 0.56 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 3hqr s LEU 343 Cb -0.41 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 3hqr s LEU 343 CO 0.47 -0.74 0.18 -0.60 -1.32 0.00 0.00 176.35 174.34 3hqr s ARG 344 N 2.77 4.03 -0.10 1.98 3.52 0.14 -0.22 118.95 131.07 3hqr s ARG 344 Ca 0.22 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3hqr s ARG 344 Cb -0.14 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3hqr s ARG 344 CO 0.18 -0.03 -0.09 0.42 -0.81 0.00 0.00 175.30 174.97 3hqr s ILE 345 N 1.33 3.49 -0.79 4.11 1.01 0.22 -0.27 121.20 130.30 3hqr s ILE 345 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3hqr s ILE 345 Cb -0.14 -2.45 0.19 0.00 0.01 0.00 0.00 42.46 40.07 3hqr s ILE 345 CO 0.07 0.56 0.63 -0.36 0.00 0.00 0.00 174.94 175.84 3hqr s PHE 346 N -0.31 3.71 -0.04 3.97 0.40 0.15 0.14 117.98 126.00 3hqr s PHE 346 Ca 0.04 -3.09 -0.38 0.00 -0.60 0.00 0.00 56.93 52.90 3hqr s PHE 346 Cb -0.13 -3.07 -0.17 0.00 0.51 0.00 0.00 43.02 40.17 3hqr s PHE 346 CO 0.02 -0.69 1.43 -2.30 0.70 0.00 0.00 175.22 174.38 3hqr n PRO 347 N 2.40 0.98 -1.69 0.24 -0.02 -1.26 -3.62 135.00 132.04 3hqr n PRO 347 Ca 0.19 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 3hqr n PRO 347 Cb 0.36 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3hqr n PRO 347 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hqr n GLU 348 N 3.21 2.11 -0.01 -0.52 2.13 0.52 -2.33 120.64 125.75 3hqr n GLU 348 Ca 0.21 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3hqr n GLU 348 Cb 0.15 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.52 3hqr n GLU 348 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hqr n GLY 349 N 1.16 2.12 3.82 8.31 0.00 -1.26 -5.03 105.19 114.31 3hqr n GLY 349 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3hqr n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqr s LYS 350 N -0.29 2.90 0.00 1.61 -0.14 -0.98 -5.00 119.74 117.84 3hqr s LYS 350 Ca 0.00 -1.07 0.15 0.00 -1.36 0.00 0.00 55.97 53.69 3hqr s LYS 350 Cb 0.00 -2.55 0.33 0.00 -1.68 0.00 0.00 37.83 33.94 3hqr s LYS 350 CO 0.00 0.40 1.24 0.00 -0.76 0.00 0.00 175.35 176.23 3hqr n ALA 351 N -1.16 2.32 -2.80 5.17 0.00 -1.26 -4.87 120.51 117.90 3hqr n ALA 351 Ca -0.08 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.02 3hqr n ALA 351 Cb 0.58 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 3hqr n ALA 351 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3hqr s GLN 352 N -1.09 2.90 0.17 0.00 0.00 -1.26 -5.13 119.66 115.24 3hqr s GLN 352 Ca 0.28 -0.74 0.06 0.00 -0.00 0.00 0.00 55.36 54.96 3hqr s GLN 352 Cb 0.16 -2.44 -0.04 0.00 0.00 0.00 0.00 33.01 30.69 3hqr s GLN 352 CO 0.21 0.39 0.07 -0.59 0.00 0.00 0.00 175.29 175.37 3hqr s PHE 353 N -0.14 2.99 -0.17 9.60 -0.12 -1.26 -4.44 117.98 124.44 3hqr s PHE 353 Ca -0.02 -0.08 -0.09 0.00 -0.05 0.00 0.00 56.93 56.69 3hqr s PHE 353 Cb -0.14 -1.45 -0.05 0.00 -0.63 0.00 0.00 43.02 40.76 3hqr s PHE 353 CO 0.04 0.52 0.14 0.00 -0.05 0.00 0.00 175.22 175.86 3hqr s ALA 354 N -1.73 3.75 -0.44 1.99 0.00 0.12 -4.91 121.76 120.53 3hqr s ALA 354 Ca 0.29 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3hqr s ALA 354 Cb -0.10 -2.11 0.08 0.00 0.00 0.00 0.00 23.12 21.00 3hqr s ALA 354 CO 0.21 0.31 0.32 -0.51 0.00 0.00 0.00 175.76 176.09 3hqr s ASP 355 N -0.10 5.82 -0.31 0.00 1.11 -1.26 -0.61 116.67 121.32 3hqr s ASP 355 Ca 0.10 -1.50 -0.13 0.00 0.18 0.00 0.00 52.55 51.20 3hqr s ASP 355 Cb -0.11 -2.06 -0.03 0.00 1.07 0.00 0.00 42.92 41.79 3hqr s ASP 355 CO 0.00 -0.60 0.27 -0.63 1.18 0.00 0.00 175.17 175.39 3hqr s ILE 356 N 1.49 5.25 0.26 0.77 -1.09 0.69 -4.93 121.20 123.65 3hqr s ILE 356 Ca 0.04 0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.29 3hqr s ILE 356 Cb -0.24 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 3hqr s ILE 356 CO 0.03 0.10 1.07 -1.61 -1.23 0.00 0.00 174.94 173.30 3hqr s GLU 357 N 1.86 4.68 0.00 2.79 2.02 -1.26 -0.60 118.70 128.19 3hqr s GLU 357 Ca 0.09 1.74 -0.04 0.00 0.02 0.00 0.00 54.97 56.78 3hqr s GLU 357 Cb -0.16 -3.21 -0.19 0.00 0.10 0.00 0.00 34.13 30.67 3hqr s GLU 357 CO 0.11 0.25 2.94 -0.35 0.02 0.00 0.00 175.26 178.23 3hqr n PRO 358 N 1.34 1.58 -2.52 0.39 -0.04 -1.26 -4.91 135.00 129.57 3hqr n PRO 358 Ca -0.01 -0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 62.38 3hqr n PRO 358 Cb 0.45 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 3hqr n PRO 358 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3hqr s LYS 359 N 1.00 4.34 0.13 0.54 -2.85 -1.26 -3.27 119.74 118.37 3hqr s LYS 359 Ca 0.46 1.62 -0.34 0.00 -1.00 0.00 0.00 55.97 56.71 3hqr s LYS 359 Cb 0.22 -2.79 -0.17 0.00 -2.06 0.00 0.00 37.83 33.03 3hqr s LYS 359 CO 0.00 -0.01 1.04 0.34 0.10 0.00 0.00 175.35 176.83 3hqr n PHE 360 N 0.41 0.86 -1.05 1.78 -0.00 -0.19 -1.52 117.46 117.75 3hqr n PHE 360 Ca 0.03 0.81 -0.02 0.00 -0.00 0.00 0.00 57.45 58.27 3hqr n PHE 360 Cb 0.48 -2.19 -0.01 0.00 -0.00 0.00 0.00 39.48 37.77 3hqr n PHE 360 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3hqr n ASP 361 N 1.91 -4.99 -4.73 -2.13 4.64 -0.28 -4.59 116.55 106.38 3hqr n ASP 361 Ca 0.17 0.04 -0.40 0.00 -1.38 0.00 0.00 54.79 53.22 3hqr n ASP 361 Cb 0.21 -2.64 -0.05 0.00 -1.04 0.00 0.00 41.12 37.59 3hqr n ASP 361 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 3hqr s ARG 362 N -1.58 4.45 -0.11 -0.67 3.52 -0.57 -0.37 118.95 123.61 3hqr s ARG 362 Ca 0.00 0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 3hqr s ARG 362 Cb 0.00 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 3hqr s ARG 362 CO 0.00 0.19 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.46 3hqr s LEU 363 N 0.34 3.24 -0.02 -0.88 2.96 0.19 -0.37 118.68 124.14 3hqr s LEU 363 Ca 0.38 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 3hqr s LEU 363 Cb -0.19 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3hqr s LEU 363 CO 0.20 0.27 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.08 3hqr s LEU 364 N -0.27 2.03 -0.03 -0.68 2.96 0.51 0.08 118.68 123.29 3hqr s LEU 364 Ca 0.04 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3hqr s LEU 364 Cb -0.13 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.51 3hqr s LEU 364 CO 0.02 0.24 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.84 3hqr s PHE 365 N -0.41 1.01 -0.14 5.38 0.08 0.18 0.75 117.98 124.84 3hqr s PHE 365 Ca 0.06 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 3hqr s PHE 365 Cb -0.08 -0.71 0.09 0.00 -0.57 0.00 0.00 43.02 41.74 3hqr s PHE 365 CO -0.00 -0.10 0.82 -0.59 -0.10 0.00 0.00 175.22 175.25 3hqr s PHE 366 N 0.17 -0.57 0.16 0.36 -0.71 -0.68 0.18 117.98 116.89 3hqr s PHE 366 Ca -0.03 1.09 -0.34 0.00 -1.04 0.00 0.00 56.93 56.62 3hqr s PHE 366 Cb -0.09 0.40 -0.14 0.00 -1.21 0.00 0.00 43.02 41.98 3hqr s PHE 366 CO 0.01 -0.45 1.54 0.91 -1.34 0.00 0.00 175.22 175.88 3hqr n TRP 367 N 1.25 2.20 0.18 3.49 5.03 -0.20 -0.39 117.44 128.99 3hqr n TRP 367 Ca -0.15 0.31 0.05 0.00 3.03 0.00 0.00 57.50 60.75 3hqr n TRP 367 Cb 0.57 -2.52 0.24 0.00 -1.03 0.00 0.00 31.31 28.57 3hqr n TRP 367 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 3hqr h SER 368 N 5.65 0.00 -1.10 -0.99 0.02 -0.94 -3.37 113.55 112.82 3hqr h SER 368 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3hqr h SER 368 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3hqr h SER 368 CO 0.87 0.39 0.00 -0.90 -1.14 0.00 0.00 176.83 176.05 3hqr n ASP 369 N -3.38 -0.64 0.17 3.07 5.68 -1.26 -0.96 116.55 119.23 3hqr n ASP 369 Ca 0.01 -0.39 0.10 0.00 -0.50 0.00 0.00 54.79 54.01 3hqr n ASP 369 Cb 0.58 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.09 3hqr n ASP 369 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3hqr h ARG 370 N 0.00 0.00 0.00 0.11 3.08 -1.89 -2.35 114.38 113.33 3hqr h ARG 370 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hqr h ARG 370 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3hqr h ARG 370 CO 0.00 0.00 -0.19 0.00 -1.07 0.00 0.00 179.97 178.71 3hqr h ARG 371 N 0.00 0.00 -2.18 0.04 3.08 -1.89 -3.36 114.38 110.07 3hqr h ARG 371 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hqr h ARG 371 Cb 0.23 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.86 3hqr h ARG 371 CO 0.00 0.19 -0.66 0.09 -1.07 0.00 0.00 179.97 178.52 3hqr n ASN 372 N -3.81 3.30 -4.76 7.04 3.02 -0.88 0.19 115.26 119.36 3hqr n ASN 372 Ca -0.02 -3.35 -0.35 0.00 -0.03 0.00 0.00 54.58 50.83 3hqr n ASN 372 Cb 0.29 -0.67 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 3hqr n ASN 372 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3hqr s PRO 373 N -2.30 3.05 0.21 3.52 0.02 -1.24 -4.67 135.00 133.59 3hqr s PRO 373 Ca 0.39 1.69 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 3hqr s PRO 373 Cb 0.15 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.76 3hqr s PRO 373 CO -0.03 -1.11 0.71 -3.38 -0.33 0.00 0.00 177.00 172.86 3hqr s HIS 374 N -1.77 -0.32 0.03 6.54 -3.43 0.50 0.30 115.29 117.14 3hqr s HIS 374 Ca 0.74 -0.02 -0.07 0.00 -0.80 0.00 0.00 55.06 54.92 3hqr s HIS 374 Cb -0.27 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.52 3hqr s HIS 374 CO 0.32 -1.02 0.12 -1.83 -2.00 0.00 0.00 174.74 170.33 3hqr s GLU 375 N -3.75 0.57 -0.35 -0.38 -1.05 0.63 0.09 118.70 114.46 3hqr s GLU 375 Ca 0.07 -0.63 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 3hqr s GLU 375 Cb -0.03 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 3hqr s GLU 375 CO -0.01 -0.14 0.19 0.08 0.95 0.00 0.00 175.26 176.32 3hqr s VAL 376 N -2.23 4.65 0.60 1.83 1.01 -0.29 0.24 120.40 126.22 3hqr s VAL 376 Ca -0.08 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 3hqr s VAL 376 Cb -0.03 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3hqr s VAL 376 CO -0.03 -0.10 1.14 -1.10 0.00 0.00 0.00 175.10 175.02 3hqr s GLN 377 N 1.59 3.01 -0.28 2.72 -0.21 0.19 -0.56 119.66 126.12 3hqr s GLN 377 Ca 0.03 1.59 -0.41 0.00 0.02 0.00 0.00 55.36 56.60 3hqr s GLN 377 Cb -0.18 -1.96 -0.19 0.00 1.00 0.00 0.00 33.01 31.68 3hqr s GLN 377 CO 0.07 -1.12 1.29 -2.30 -2.12 0.00 0.00 175.29 171.11 3hqr n PRO 378 N -1.83 0.00 -3.65 2.91 -0.02 -1.26 -2.50 135.00 128.65 3hqr n PRO 378 Ca 0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 3hqr n PRO 378 Cb 0.51 -1.40 -0.10 0.00 -0.02 0.00 0.00 33.50 32.49 3hqr n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqr s ALA 379 N 1.67 3.60 -0.24 3.55 0.00 0.53 -0.35 121.76 130.53 3hqr s ALA 379 Ca 0.93 -0.89 0.15 0.00 0.00 0.00 0.00 51.96 52.14 3hqr s ALA 379 Cb -1.31 -2.35 0.75 0.00 0.00 0.00 0.00 23.12 20.21 3hqr s ALA 379 CO 0.67 -0.22 1.67 0.66 0.00 0.00 0.00 175.76 178.54 3hqr n TYR 380 N 4.35 1.79 -3.58 0.00 4.01 0.14 -0.13 117.16 123.75 3hqr n TYR 380 Ca -0.15 -0.77 -0.12 0.00 -0.16 0.00 0.00 57.90 56.71 3hqr n TYR 380 Cb 0.52 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 3hqr n TYR 380 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hqr s ALA 381 N -2.78 -1.18 0.06 -0.72 0.00 -1.07 -4.76 121.76 111.32 3hqr s ALA 381 Ca 0.52 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 3hqr s ALA 381 Cb 0.40 0.60 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 3hqr s ALA 381 CO 0.14 -0.61 1.90 2.41 0.00 0.00 0.00 175.76 179.60 3hqr n THR 382 N 0.01 0.55 -4.03 0.00 -1.04 -1.23 -3.39 114.28 105.15 3hqr n THR 382 Ca -0.17 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.41 3hqr n THR 382 Cb 0.63 -2.16 -0.15 0.00 -1.82 0.00 0.00 70.33 66.83 3hqr n THR 382 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3hqr s ARG 383 N 3.57 2.45 -0.13 -2.82 3.52 -0.31 -4.92 118.95 120.32 3hqr s ARG 383 Ca 0.86 -1.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.18 3hqr s ARG 383 Cb -0.49 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 3hqr s ARG 383 CO 0.41 -0.51 0.08 0.71 -0.81 0.00 0.00 175.30 175.18 3hqr s TYR 384 N 1.18 3.39 -0.06 5.12 2.02 -1.26 -0.64 117.35 127.10 3hqr s TYR 384 Ca -0.05 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.81 3hqr s TYR 384 Cb -0.19 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3hqr s TYR 384 CO -0.05 0.51 0.38 0.00 -1.57 0.00 0.00 175.55 174.82 3hqr s ALA 385 N -0.61 -0.97 -0.21 3.71 0.00 -0.57 -1.95 121.76 121.18 3hqr s ALA 385 Ca 0.12 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3hqr s ALA 385 Cb -0.12 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3hqr s ALA 385 CO 0.02 -0.25 -0.16 0.42 0.00 0.00 0.00 175.76 175.79 3hqr s ILE 386 N -0.80 2.15 -0.08 0.00 1.01 0.91 0.81 121.20 125.21 3hqr s ILE 386 Ca -0.09 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3hqr s ILE 386 Cb -0.04 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3hqr s ILE 386 CO 0.04 0.34 -0.07 -0.89 0.00 0.00 0.00 174.94 174.36 3hqr s THR 387 N 1.23 3.66 0.00 2.92 2.01 0.16 0.11 115.64 125.74 3hqr s THR 387 Ca 0.00 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3hqr s THR 387 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 3hqr s THR 387 CO -0.10 0.59 -0.09 0.68 -0.69 0.00 0.00 174.62 175.01 3hqr s VAL 388 N -0.68 0.68 -0.14 3.82 -7.23 0.32 0.17 120.40 117.34 3hqr s VAL 388 Ca 0.10 -0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3hqr s VAL 388 Cb -0.11 -0.59 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 3hqr s VAL 388 CO 0.02 0.12 -0.12 0.26 -0.31 0.00 0.00 175.10 175.07 3hqr s TRP 389 N -0.34 2.84 0.18 2.82 0.51 -1.26 -0.32 118.94 123.37 3hqr s TRP 389 Ca 0.02 -0.67 -0.14 0.00 -2.12 0.00 0.00 56.10 53.18 3hqr s TRP 389 Cb -0.04 -1.87 -0.07 0.00 -0.81 0.00 0.00 33.47 30.67 3hqr s TRP 389 CO -0.00 -0.24 0.59 0.71 -0.51 0.00 0.00 176.95 177.49 3hqr s TYR 390 N 0.47 3.57 -0.05 -1.98 2.02 0.10 -1.09 117.35 120.40 3hqr s TYR 390 Ca -0.09 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.71 3hqr s TYR 390 Cb -0.16 -2.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3hqr s TYR 390 CO 0.04 0.37 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.31 3hqr s PHE 391 N -1.55 3.04 -0.19 2.71 2.99 0.19 -1.02 117.98 124.16 3hqr s PHE 391 Ca 0.41 0.09 -0.20 0.00 0.00 0.00 0.00 56.93 57.22 3hqr s PHE 391 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 43.02 41.13 3hqr s PHE 391 CO 0.20 0.42 0.61 0.34 -0.00 0.00 0.00 175.22 176.78 3hqr s ASP 392 N -1.09 6.68 0.02 1.36 2.15 -0.09 -2.62 116.67 123.08 3hqr s ASP 392 Ca 0.15 0.82 -0.05 0.00 0.43 0.00 0.00 52.55 53.91 3hqr s ASP 392 Cb -0.11 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3hqr s ASP 392 CO 0.05 -0.24 0.93 0.00 -0.17 0.00 0.00 175.17 175.73 3hqr n ALA 393 N 4.88 -0.09 0.18 3.66 0.00 0.14 -0.46 120.51 128.83 3hqr n ALA 393 Ca -0.02 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 3hqr n ALA 393 Cb 0.50 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 3hqr n ALA 393 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hqr h ASP 394 N 0.00 -1.05 -0.43 0.00 3.45 -1.94 0.21 116.42 116.66 3hqr h ASP 394 Ca 0.02 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.59 3hqr h ASP 394 Cb 0.06 0.37 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 3hqr h ASP 394 CO -0.14 -0.49 0.28 -0.08 -1.57 0.00 0.00 179.24 177.24 3hqr h GLU 395 N -0.70 0.55 -0.04 3.56 4.81 -1.86 0.44 114.58 121.33 3hqr h GLU 395 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3hqr h GLU 395 Cb 0.67 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3hqr h GLU 395 CO -0.13 0.36 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.37 3hqr h ARG 396 N 0.56 0.11 -0.83 1.92 9.65 -0.42 0.45 114.38 125.83 3hqr h ARG 396 Ca 0.16 -0.07 0.12 0.00 -1.10 0.00 0.00 59.98 59.09 3hqr h ARG 396 Cb -0.04 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 3hqr h ARG 396 CO -0.04 0.61 0.45 0.00 2.80 0.00 0.00 179.97 183.80 3hqr h ALA 397 N 0.50 1.22 0.00 2.80 0.00 -0.13 0.18 119.26 123.84 3hqr h ALA 397 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hqr h ALA 397 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hqr h ALA 397 CO 0.01 0.01 -0.36 0.00 0.00 0.00 0.00 179.25 178.92 3hqr h ALA 398 N 1.50 0.84 0.14 0.00 0.00 -0.81 -2.74 119.26 118.20 3hqr h ALA 398 Ca 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hqr h ALA 398 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hqr h ALA 398 CO -0.30 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.33 3hqr h ALA 399 N 1.64 -0.19 -0.36 0.00 0.00 0.26 -1.97 119.26 118.65 3hqr h ALA 399 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hqr h ALA 399 Cb 1.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3hqr h ALA 399 CO 0.05 -0.41 0.16 0.87 0.00 0.00 0.00 179.25 179.91 3hqr h LYS 400 N -0.57 0.33 -0.60 0.00 1.57 -0.80 0.11 116.57 116.61 3hqr h LYS 400 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hqr h LYS 400 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3hqr h LYS 400 CO 0.03 0.22 0.35 -0.24 -0.57 0.00 0.00 179.45 179.24 3hqr h VAL 401 N 0.34 1.18 0.00 0.50 3.04 -1.52 -2.22 116.25 117.57 3hqr h VAL 401 Ca 0.15 -0.43 -0.10 0.00 -1.01 0.00 0.00 66.70 65.31 3hqr h VAL 401 Cb 0.08 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 3hqr h VAL 401 CO -0.12 0.19 -0.48 0.50 -1.01 0.00 0.00 177.57 176.65 3hqr h LYS 402 N 0.81 0.00 -0.44 4.17 3.64 -1.08 -2.88 116.57 120.78 3hqr h LYS 402 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3hqr h LYS 402 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3hqr h LYS 402 CO -0.04 0.48 0.25 1.88 -2.27 0.00 0.00 179.45 179.76 3hqr h TYR 403 N 0.00 0.60 -0.87 1.91 -1.99 -0.28 -2.81 116.97 113.52 3hqr h TYR 403 Ca -0.00 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.80 3hqr h TYR 403 Cb 0.94 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 39.41 3hqr h TYR 403 CO 0.00 0.44 0.52 -0.07 -0.00 0.00 0.00 178.16 179.05 3hqr h LEU 404 N 0.58 0.78-10.36 3.88 3.38 -1.19 -3.43 115.31 108.96 3hqr h LEU 404 Ca 0.16 0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.71 3hqr h LEU 404 Cb 0.03 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hqr h LEU 404 CO -0.03 0.47 -0.13 -0.89 0.09 0.00 0.00 178.44 177.95 3hqr s THR 405 N -6.03 3.95 -0.08 0.22 2.01 -1.06 -5.08 115.64 109.56 3hqr s THR 405 Ca -0.12 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3hqr s THR 405 Cb 0.19 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.27 3hqr s THR 405 CO 0.79 -0.29 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.47 3hqr s GLY 406 N -4.22 0.88 0.00 4.40 0.00 -1.26 -4.92 107.32 102.21 3hqr s GLY 406 Ca 0.48 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.71 3hqr s GLY 406 CO 0.37 0.23 -0.13 1.85 0.00 0.00 0.00 173.10 175.42 3hqr s GLU 407 N 0.88 0.99 0.00 2.90 2.12 -1.26 -5.20 118.70 119.13 3hqr s GLU 407 Ca -0.10 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.71 3hqr s GLU 407 Cb -0.15 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.27 3hqr s GLU 407 CO 0.01 0.26 0.00 1.17 -0.54 0.00 0.00 175.26 176.16