#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqu s PRO 189 N 0.00 4.34 0.20 3.23 0.02 -1.26 -4.84 135.00 136.68 3hqu s PRO 189 Ca 0.00 2.21 -0.16 0.00 0.02 0.00 0.00 61.00 63.07 3hqu s PRO 189 Cb 0.00 -3.10 0.18 0.00 0.02 0.00 0.00 34.50 31.61 3hqu s PRO 189 CO 0.00 -0.25 1.62 0.00 -0.33 0.00 0.00 177.00 178.05 3hqu h ALA 190 N 4.00 0.26 -0.81 -1.55 0.00 -1.98 -1.53 119.26 117.65 3hqu h ALA 190 Ca -0.48 0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.77 3hqu h ALA 190 Cb 1.22 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 3hqu h ALA 190 CO 0.70 -0.50 0.53 1.25 0.00 0.00 0.00 179.25 181.23 3hqu h LEU 191 N -0.06 0.56 -0.03 0.00 5.85 -1.91 0.48 115.31 120.20 3hqu h LEU 191 Ca 0.26 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 3hqu h LEU 191 Cb 0.47 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hqu h LEU 191 CO -0.61 0.30 -0.44 0.50 -0.34 0.00 0.00 178.44 177.85 3hqu h LYS 192 N 0.60 0.35 -0.76 1.25 3.64 -1.73 -0.25 116.57 119.68 3hqu h LYS 192 Ca 0.40 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 3hqu h LYS 192 Cb 0.68 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 3hqu h LYS 192 CO -0.16 1.01 0.43 1.25 -2.27 0.00 0.00 179.45 179.72 3hqu h LEU 193 N -0.18 0.64 0.48 5.20 5.85 -0.35 0.13 115.31 127.08 3hqu h LEU 193 Ca -0.05 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hqu h LEU 193 Cb 1.14 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3hqu h LEU 193 CO 0.09 0.39 -0.23 0.00 -0.34 0.00 0.00 178.44 178.35 3hqu h ALA 194 N 1.40 -0.65 -0.53 1.25 0.00 -0.06 -1.56 119.26 119.11 3hqu h ALA 194 Ca 0.35 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hqu h ALA 194 Cb 0.25 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hqu h ALA 194 CO -0.21 -0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 178.29 3hqu h LEU 195 N -1.04 0.89 0.00 0.00 3.38 -0.92 -0.95 115.31 116.68 3hqu h LEU 195 Ca -0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hqu h LEU 195 Cb 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hqu h LEU 195 CO 0.11 0.96 -0.86 -0.62 0.09 0.00 0.00 178.44 178.12 3hqu n GLU 196 N -4.19 0.11 0.03 1.13 1.02 0.02 -4.55 120.64 114.22 3hqu n GLU 196 Ca 0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3hqu n GLU 196 Cb 0.33 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3hqu n GLU 196 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3hqu n TYR 197 N -1.68 -0.36 0.03 -0.32 9.36 -0.88 -4.81 117.16 118.50 3hqu n TYR 197 Ca 0.04 0.06 -0.11 0.00 3.32 0.00 0.00 57.90 61.21 3hqu n TYR 197 Cb 0.37 0.21 -0.07 0.00 -0.63 0.00 0.00 39.34 39.22 3hqu n TYR 197 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3hqu h ILE 198 N 0.00 0.00 -0.05 2.97 1.08 -1.06 -0.61 117.51 119.85 3hqu h ILE 198 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3hqu h ILE 198 Cb 0.00 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.69 3hqu h ILE 198 CO 0.00 0.00 -0.42 0.58 -0.69 0.00 0.00 178.15 177.62 3hqu h VAL 199 N -0.46 0.14 -0.77 1.67 2.07 -1.45 0.36 116.25 117.81 3hqu h VAL 199 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hqu h VAL 199 Cb 0.49 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3hqu h VAL 199 CO -0.25 0.00 0.29 1.55 0.02 0.00 0.00 177.57 179.18 3hqu h PRO 200 N -0.55 1.16 -0.02 1.57 0.13 -1.79 -1.93 132.00 130.57 3hqu h PRO 200 Ca 0.06 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3hqu h PRO 200 Cb 0.65 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 3hqu h PRO 200 CO -0.35 0.95 0.01 0.00 -0.23 0.00 0.00 178.00 178.38 3hqu h MET 202 N -0.04 -0.36 0.00 0.00 2.86 -0.82 0.80 114.93 117.37 3hqu h MET 202 Ca 0.01 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3hqu h MET 202 Cb 0.07 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hqu h MET 202 CO -0.00 -0.24 -0.03 -0.91 1.06 0.00 0.00 176.91 176.79 3hqu h ASN 203 N -0.37 0.00 0.00 1.22 2.35 -1.36 0.22 115.58 117.64 3hqu h ASN 203 Ca 0.01 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.52 3hqu h ASN 203 Cb 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 3hqu h ASN 203 CO -0.07 0.03 -1.40 1.17 -1.65 0.00 0.00 177.43 175.51 3hqu n LYS 204 N -3.21 0.56 -0.02 0.81 4.81 -0.62 -4.75 118.16 115.74 3hqu n LYS 204 Ca -0.01 0.52 0.03 0.00 -0.87 0.00 0.00 58.31 57.97 3hqu n LYS 204 Cb 0.21 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.48 3hqu n LYS 204 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3hqu n HIS 205 N -4.42 0.00 -0.82 5.64 8.25 0.27 -5.00 115.22 119.13 3hqu n HIS 205 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3hqu n HIS 205 Cb 0.67 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3hqu n HIS 205 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hqu n GLY 206 N 2.03 0.81 2.96 -1.41 0.00 0.77 -5.00 105.19 105.34 3hqu n GLY 206 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hqu n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqu s ILE 207 N -3.11 -0.02 -0.06 -0.61 1.01 -1.26 -2.15 121.20 114.99 3hqu s ILE 207 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 3hqu s ILE 207 Cb 0.00 -0.21 0.04 0.00 0.01 0.00 0.00 42.46 42.30 3hqu s ILE 207 CO 0.00 0.04 0.13 0.00 0.00 0.00 0.00 174.94 175.10 3hqu s VAL 209 N 1.43 3.35 -0.25 0.00 1.01 -1.26 -0.90 120.40 123.78 3hqu s VAL 209 Ca -0.06 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3hqu s VAL 209 Cb -0.12 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.90 3hqu s VAL 209 CO -0.05 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 3hqu s VAL 210 N 0.25 1.78 0.38 2.92 1.01 0.81 -4.99 120.40 122.56 3hqu s VAL 210 Ca -0.07 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 3hqu s VAL 210 Cb -0.15 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 3hqu s VAL 210 CO 0.04 -0.11 0.75 -1.81 0.00 0.00 0.00 175.10 173.97 3hqu s ASP 211 N 1.27 6.56 -1.18 3.32 1.01 -1.26 0.11 116.67 126.50 3hqu s ASP 211 Ca -0.06 1.13 -0.16 0.00 0.71 0.00 0.00 52.55 54.17 3hqu s ASP 211 Cb -0.19 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3hqu s ASP 211 CO -0.06 -0.35 0.75 0.47 0.21 0.00 0.00 175.17 176.19 3hqu n ASP 212 N -1.10 -4.47 -0.05 0.27 8.00 -0.75 -4.91 116.55 113.54 3hqu n ASP 212 Ca 0.02 -0.98 -0.13 0.00 0.71 0.00 0.00 54.79 54.41 3hqu n ASP 212 Cb 0.54 -3.51 -0.08 0.00 -0.02 0.00 0.00 41.12 38.05 3hqu n ASP 212 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3hqu h PHE 213 N -1.84 0.37 -0.00 1.24 3.57 -1.34 -3.38 116.94 115.56 3hqu h PHE 213 Ca -0.65 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 60.73 3hqu h PHE 213 Cb 1.36 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3hqu h PHE 213 CO 0.36 0.75 -0.24 1.28 -2.23 0.00 0.00 178.31 178.23 3hqu n LEU 214 N -4.58 0.30 0.00 0.59 4.77 -1.26 -4.93 117.00 111.90 3hqu n LEU 214 Ca -0.07 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3hqu n LEU 214 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hqu n LEU 214 CO 0.39 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3hqu n GLY 215 N 1.09 -0.07 0.23 -0.72 0.00 -1.26 -4.43 105.19 100.04 3hqu n GLY 215 Ca 0.01 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 3hqu n GLY 215 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hqu h LYS 216 N 0.00 -0.29 -0.70 1.61 3.64 -1.97 0.21 116.57 119.08 3hqu h LYS 216 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3hqu h LYS 216 Cb 0.00 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3hqu h LYS 216 CO 0.00 -0.19 0.41 1.49 -2.27 0.00 0.00 179.45 178.89 3hqu h GLU 217 N -0.30 0.74 0.17 1.90 4.81 -1.99 0.82 114.58 120.74 3hqu h GLU 217 Ca 0.07 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 58.95 3hqu h GLU 217 Cb 0.39 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.62 3hqu h GLU 217 CO -0.21 0.49 -1.32 1.15 -0.73 0.00 0.00 179.01 178.40 3hqu h THR 218 N 0.77 1.38 -0.37 0.32 2.02 -1.75 -2.91 112.91 112.37 3hqu h THR 218 Ca 0.30 -2.79 -0.09 0.00 0.77 0.00 0.00 66.41 64.60 3hqu h THR 218 Cb 0.13 2.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 3hqu h THR 218 CO -0.16 0.83 -0.16 1.23 0.37 0.00 0.00 175.52 177.63 3hqu h GLY 219 N 0.82 0.73 1.50 2.16 0.00 -0.23 -2.27 103.07 105.78 3hqu h GLY 219 Ca -0.19 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.44 3hqu h GLY 219 CO 0.24 0.52 -0.47 -1.61 0.00 0.00 0.00 176.54 175.22 3hqu h GLN 220 N 0.60 0.54 -0.47 4.80 4.15 0.59 -2.31 115.11 123.01 3hqu h GLN 220 Ca 0.10 -0.30 -0.14 0.00 0.77 0.00 0.00 58.65 59.08 3hqu h GLN 220 Cb 0.62 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3hqu h GLN 220 CO 0.04 0.90 -0.24 0.37 -1.93 0.00 0.00 178.83 177.97 3hqu h GLN 221 N 0.44 0.99 -0.77 1.69 5.75 -1.33 -1.49 115.11 120.40 3hqu h GLN 221 Ca 0.03 -0.44 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 3hqu h GLN 221 Cb 0.98 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 3hqu h GLN 221 CO 0.09 1.11 0.43 0.82 -2.65 0.00 0.00 178.83 178.63 3hqu h ILE 222 N 0.85 1.23 -0.74 2.39 2.04 -1.35 -0.80 117.51 121.13 3hqu h ILE 222 Ca 0.10 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3hqu h ILE 222 Cb 0.82 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3hqu h ILE 222 CO 0.07 0.25 0.47 1.23 0.00 0.00 0.00 178.15 180.17 3hqu h GLY 223 N 1.06 1.07 0.95 5.37 0.00 -1.05 -0.36 103.07 110.11 3hqu h GLY 223 Ca 0.27 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3hqu h GLY 223 CO -0.05 0.30 0.01 -0.55 0.00 0.00 0.00 176.54 176.26 3hqu h ASP 224 N 0.92 0.70 -0.60 0.19 3.32 -0.59 0.89 116.42 121.23 3hqu h ASP 224 Ca 0.30 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hqu h ASP 224 Cb 0.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hqu h ASP 224 CO -0.11 0.83 0.23 -0.33 -1.72 0.00 0.00 179.24 178.13 3hqu h GLU 225 N 0.54 0.91 -0.31 3.56 5.08 -0.86 0.18 114.58 123.69 3hqu h GLU 225 Ca 0.12 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3hqu h GLU 225 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3hqu h GLU 225 CO 0.02 0.78 0.13 0.28 -1.00 0.00 0.00 179.01 179.23 3hqu h VAL 226 N 0.84 1.17 0.00 3.13 2.07 -0.92 -1.67 116.25 120.87 3hqu h VAL 226 Ca 0.20 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3hqu h VAL 226 Cb 0.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hqu h VAL 226 CO -0.01 0.18 -0.22 0.03 0.02 0.00 0.00 177.57 177.57 3hqu h ARG 227 N 0.36 0.00 -0.15 1.57 3.08 -0.48 -2.22 114.38 116.54 3hqu h ARG 227 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3hqu h ARG 227 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hqu h ARG 227 CO -0.01 0.22 -0.27 0.00 -1.07 0.00 0.00 179.97 178.84 3hqu h ALA 228 N 1.78 0.24 -1.00 0.04 0.00 -0.25 -1.03 119.26 119.03 3hqu h ALA 228 Ca -0.00 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.58 3hqu h ALA 228 Cb 0.50 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3hqu h ALA 228 CO 0.03 0.23 0.65 -0.07 0.00 0.00 0.00 179.25 180.09 3hqu h LEU 229 N 0.07 1.03 0.09 0.00 3.38 -0.97 0.12 115.31 119.04 3hqu h LEU 229 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hqu h LEU 229 Cb 0.85 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hqu h LEU 229 CO 0.06 0.66 -0.05 -0.74 0.09 0.00 0.00 178.44 178.47 3hqu h HIS 230 N 1.17 -0.12 0.00 1.13 2.76 -1.26 0.18 115.15 119.01 3hqu h HIS 230 Ca 0.43 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.58 3hqu h HIS 230 Cb 0.17 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3hqu h HIS 230 CO -0.00 0.21 -0.10 -0.44 -1.30 0.00 0.00 177.93 176.30 3hqu h ASP 231 N -0.45 0.00 -0.23 3.26 3.45 -0.89 -1.84 116.42 119.71 3hqu h ASP 231 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3hqu h ASP 231 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3hqu h ASP 231 CO 0.02 0.10 0.00 0.35 -1.57 0.00 0.00 179.24 178.14 3hqu n THR 232 N -3.45 0.29 -2.22 0.35 -2.24 0.01 -4.97 114.28 102.06 3hqu n THR 232 Ca -0.01 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.21 3hqu n THR 232 Cb 0.25 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3hqu n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqu n GLY 233 N 1.29 0.21 0.19 3.38 0.00 -0.69 -4.95 105.19 104.62 3hqu n GLY 233 Ca 0.17 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.66 3hqu n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hqu h LYS 234 N -0.12 0.00 -7.27 1.61 1.79 -0.86 -3.46 116.57 108.27 3hqu h LYS 234 Ca -0.13 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.84 3hqu h LYS 234 Cb 1.10 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.79 3hqu h LYS 234 CO 0.15 0.15 0.39 -0.06 -1.08 0.00 0.00 179.45 179.00 3hqu s PHE 235 N -3.14 3.41 1.14 -1.35 0.40 -1.26 -4.73 117.98 112.46 3hqu s PHE 235 Ca 0.06 1.41 -0.19 0.00 -0.60 0.00 0.00 56.93 57.60 3hqu s PHE 235 Cb 0.06 -2.81 0.27 0.00 0.51 0.00 0.00 43.02 41.05 3hqu s PHE 235 CO 0.70 -0.68 1.20 0.95 0.70 0.00 0.00 175.22 178.09 3hqu s THR 236 N -2.84 1.70 -0.98 0.64 -4.23 -0.19 -4.92 115.64 104.82 3hqu s THR 236 Ca 0.58 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.36 3hqu s THR 236 Cb -0.12 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.18 3hqu s THR 236 CO 0.43 0.00 1.69 0.47 -0.54 0.00 0.00 174.62 176.66 3hqu n ASP 237 N -4.48 0.26 0.00 3.99 9.92 -1.26 -4.57 116.55 120.41 3hqu n ASP 237 Ca 0.15 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 3hqu n ASP 237 Cb 0.60 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 3hqu n ASP 237 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hqu n GLY 238 N 1.49 3.12 3.72 0.44 0.00 -1.26 -4.76 105.19 107.95 3hqu n GLY 238 Ca 0.06 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3hqu n GLY 238 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hqu n GLN 239 N 0.22 2.77 -2.00 1.61 7.27 -0.01 -4.43 117.38 122.80 3hqu n GLN 239 Ca 0.00 1.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.65 3hqu n GLN 239 Cb 0.00 -2.84 -0.03 0.00 2.41 0.00 0.00 30.24 29.79 3hqu n GLN 239 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3hqu s LEU 240 N 0.97 3.46 -0.18 1.69 2.96 -1.26 -0.06 118.68 126.26 3hqu s LEU 240 Ca 0.74 1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 55.54 3hqu s LEU 240 Cb -0.50 -3.27 -0.15 0.00 0.50 0.00 0.00 46.19 42.77 3hqu s LEU 240 CO 0.34 -1.88 0.16 0.58 -1.32 0.00 0.00 176.35 174.22 3hqu h VAL 241 N 6.84 0.73 -3.62 1.68 2.07 -0.86 -3.45 116.25 119.64 3hqu h VAL 241 Ca -0.31 -1.85 -0.61 0.00 0.82 0.00 0.00 66.70 64.74 3hqu h VAL 241 Cb 1.17 1.68 -0.38 0.00 -1.52 0.00 0.00 31.29 32.23 3hqu h VAL 241 CO 1.08 0.25 -0.78 -0.44 0.02 0.00 0.00 177.57 177.69 3hqu s SER 242 N -6.47 3.94 -0.54 0.57 0.01 -0.88 -4.97 113.70 105.35 3hqu s SER 242 Ca -0.23 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 55.75 3hqu s SER 242 Cb 0.04 -1.20 0.43 0.00 0.21 0.00 0.00 66.02 65.50 3hqu s SER 242 CO 0.48 -0.25 1.99 1.67 0.41 0.00 0.00 173.24 177.54 3hqu n GLN 243 N 4.65 2.39 -2.89 12.44 -0.06 -1.26 -1.49 117.38 131.17 3hqu n GLN 243 Ca -0.10 -2.82 -0.20 0.00 -2.00 0.00 0.00 57.00 51.88 3hqu n GLN 243 Cb 0.44 -2.10 0.02 0.00 -4.06 0.00 0.00 30.24 24.53 3hqu n GLN 243 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3hqu s LYS 244 N -3.24 2.75 0.00 3.69 -0.14 -1.26 -4.96 119.74 116.58 3hqu s LYS 244 Ca 0.55 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 3hqu s LYS 244 Cb 0.44 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 3hqu s LYS 244 CO 0.01 -0.44 0.00 -1.13 -0.76 0.00 0.00 175.35 173.04 3hqu n SER 245 N -2.07 0.00 -4.38 2.83 3.41 -1.26 -2.71 113.62 109.43 3hqu n SER 245 Ca 0.06 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.22 3hqu n SER 245 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 3hqu n SER 245 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hqu s ASP 246 N -0.26 6.81 0.00 4.04 2.15 -1.26 -4.91 116.67 123.24 3hqu s ASP 246 Ca 0.00 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 50.38 3hqu s ASP 246 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3hqu s ASP 246 CO 0.00 -0.72 0.00 -1.54 -0.17 0.00 0.00 175.17 172.74 3hqu n SER 247 N 4.82 0.00 0.16 -0.34 3.41 -1.10 -1.77 113.62 118.80 3hqu n SER 247 Ca 0.20 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.90 3hqu n SER 247 Cb 0.47 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.49 3hqu n SER 247 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3hqu h SER 248 N 0.31 0.00 -0.68 4.04 0.87 -1.91 -3.22 113.55 112.97 3hqu h SER 248 Ca 0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 3hqu h SER 248 Cb 0.00 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 61.66 3hqu h SER 248 CO 0.00 0.18 -0.24 1.17 -0.53 0.00 0.00 176.83 177.41 3hqu n LYS 249 N -3.02 2.88 -2.51 2.24 3.00 -0.73 -5.02 118.16 115.01 3hqu n LYS 249 Ca 0.01 -3.70 -0.38 0.00 -0.00 0.00 0.00 58.31 54.24 3hqu n LYS 249 Cb 0.61 -2.14 -0.04 0.00 0.00 0.00 0.00 35.03 33.46 3hqu n LYS 249 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hqu s ASP 250 N -2.92 7.00 -0.20 3.14 1.01 -1.22 -4.88 116.67 118.60 3hqu s ASP 250 Ca 0.52 2.15 -0.07 0.00 0.71 0.00 0.00 52.55 55.87 3hqu s ASP 250 Cb 0.43 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3hqu s ASP 250 CO 0.01 -0.32 0.04 -0.63 0.21 0.00 0.00 175.17 174.48 3hqu s ILE 251 N -1.41 4.38 0.06 0.77 1.01 -0.55 -4.96 121.20 120.49 3hqu s ILE 251 Ca 0.51 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.06 3hqu s ILE 251 Cb -0.27 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3hqu s ILE 251 CO 0.34 0.42 -0.12 -0.13 0.00 0.00 0.00 174.94 175.44 3hqu s ARG 252 N 0.90 2.19 0.00 2.79 0.52 -1.26 -0.12 118.95 123.98 3hqu s ARG 252 Ca 0.03 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 3hqu s ARG 252 Cb -0.14 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3hqu s ARG 252 CO 0.02 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.29 3hqu n GLY 253 N 1.22 1.31 3.56 -3.53 0.00 0.91 -4.83 105.19 103.84 3hqu n GLY 253 Ca -0.15 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.33 3hqu n GLY 253 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hqu n ASP 254 N 0.00 1.18 -4.74 1.61 5.75 -1.26 -3.80 116.55 115.29 3hqu n ASP 254 Ca 0.00 1.13 -0.32 0.00 -0.01 0.00 0.00 54.79 55.59 3hqu n ASP 254 Cb 0.00 -1.12 -0.07 0.00 -1.03 0.00 0.00 41.12 38.89 3hqu n ASP 254 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hqu s LYS 255 N 0.29 2.90 0.19 0.11 1.02 -0.62 -0.83 119.74 122.80 3hqu s LYS 255 Ca 0.85 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 3hqu s LYS 255 Cb -1.03 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 3hqu s LYS 255 CO 0.50 0.61 0.12 0.96 -0.92 0.00 0.00 175.35 176.62 3hqu s ILE 256 N -1.22 0.02 -0.28 2.17 -4.36 -1.26 -0.28 121.20 115.99 3hqu s ILE 256 Ca 0.24 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 3hqu s ILE 256 Cb -0.12 -2.41 0.09 0.00 1.25 0.00 0.00 42.46 41.27 3hqu s ILE 256 CO 0.15 -0.09 0.77 0.28 0.24 0.00 0.00 174.94 176.30 3hqu s THR 257 N -4.14 0.00 -0.17 8.37 -1.32 -0.89 -1.02 115.64 116.47 3hqu s THR 257 Ca 0.36 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.64 3hqu s THR 257 Cb 0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3hqu s THR 257 CO 0.10 0.00 0.57 0.26 -2.21 0.00 0.00 174.62 173.34 3hqu s TRP 258 N 0.77 3.42 -0.11 9.09 0.52 -1.26 -1.31 118.94 130.06 3hqu s TRP 258 Ca -0.03 0.91 0.02 0.00 0.02 0.00 0.00 56.10 57.02 3hqu s TRP 258 Cb -0.05 -2.71 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 3hqu s TRP 258 CO -0.07 -0.06 -0.19 0.42 0.02 0.00 0.00 176.95 177.07 3hqu s ILE 259 N 1.46 2.51 -0.18 2.03 -1.09 0.47 -4.97 121.20 121.43 3hqu s ILE 259 Ca 0.28 -0.86 0.18 0.00 -2.23 0.00 0.00 60.65 58.02 3hqu s ILE 259 Cb -0.16 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3hqu s ILE 259 CO 0.11 0.54 1.10 -0.08 -1.23 0.00 0.00 174.94 175.39 3hqu h GLU 260 N 6.69 0.00 0.00 2.79 4.81 -1.96 0.23 114.58 127.14 3hqu h GLU 260 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3hqu h GLU 260 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3hqu h GLU 260 CO 0.51 0.26 0.00 0.41 -0.73 0.00 0.00 179.01 179.46 3hqu n GLY 261 N 1.28 1.20 0.84 1.92 0.00 -1.26 -4.89 105.19 104.28 3hqu n GLY 261 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hqu n GLY 261 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqu n LYS 262 N -2.00 1.95 -2.37 1.61 5.02 -1.26 -3.92 118.16 117.18 3hqu n LYS 262 Ca 0.00 -1.86 -0.38 0.00 -2.02 0.00 0.00 58.31 54.05 3hqu n LYS 262 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3hqu n LYS 262 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hqu s GLU 263 N -1.36 4.13 0.28 1.97 8.01 -1.26 -4.97 118.70 125.50 3hqu s GLU 263 Ca 0.27 1.75 -0.30 0.00 0.01 0.00 0.00 54.97 56.70 3hqu s GLU 263 Cb 0.17 -2.69 -0.11 0.00 -4.31 0.00 0.00 34.13 27.19 3hqu s GLU 263 CO 0.24 -0.23 1.51 -1.25 0.01 0.00 0.00 175.26 175.55 3hqu s PRO 264 N -2.27 4.19 0.00 0.39 0.04 -1.26 -1.85 135.00 134.23 3hqu s PRO 264 Ca 0.56 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.05 3hqu s PRO 264 Cb -0.29 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3hqu s PRO 264 CO 0.36 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.29 3hqu n GLY 265 N 2.05 0.54 0.25 0.56 0.00 -1.26 -4.87 105.19 102.46 3hqu n GLY 265 Ca 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.88 3hqu n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqu h GLU 267 N 0.00 0.16 -0.08 0.00 3.07 -1.79 0.14 114.58 116.09 3hqu h GLU 267 Ca 0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 3hqu h GLU 267 Cb 1.14 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3hqu h GLU 267 CO 0.00 0.11 -0.33 1.15 -1.40 0.00 0.00 179.01 178.54 3hqu h THR 268 N 0.17 1.26 -0.35 1.13 2.02 -1.91 0.20 112.91 115.43 3hqu h THR 268 Ca 0.20 -1.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 3hqu h THR 268 Cb 0.26 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3hqu h THR 268 CO -0.29 0.37 -0.06 0.40 0.37 0.00 0.00 175.52 176.31 3hqu h ILE 269 N 0.13 1.27 -0.64 3.11 2.04 -1.69 -0.18 117.51 121.55 3hqu h ILE 269 Ca 0.02 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.80 3hqu h ILE 269 Cb 0.64 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3hqu h ILE 269 CO 0.05 0.36 0.43 1.23 0.00 0.00 0.00 178.15 180.22 3hqu h GLY 270 N 0.46 0.89 1.45 5.37 0.00 0.18 -1.09 103.07 110.33 3hqu h GLY 270 Ca 0.09 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3hqu h GLY 270 CO 0.03 0.29 -0.22 -2.00 0.00 0.00 0.00 176.54 174.64 3hqu h LEU 271 N 0.81 0.64 -0.53 3.11 6.46 0.15 -2.12 115.31 123.83 3hqu h LEU 271 Ca 0.25 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 3hqu h LEU 271 Cb 0.00 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 3hqu h LEU 271 CO -0.06 0.85 0.09 0.25 -0.62 0.00 0.00 178.44 178.95 3hqu h LEU 272 N 0.56 0.85 -0.88 2.25 5.85 0.13 -1.21 115.31 122.87 3hqu h LEU 272 Ca 0.08 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3hqu h LEU 272 Cb 0.68 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3hqu h LEU 272 CO 0.05 0.89 0.27 0.24 -0.34 0.00 0.00 178.44 179.56 3hqu h MET 273 N 0.77 1.10 -0.11 1.25 2.86 -1.08 0.34 114.93 120.06 3hqu h MET 273 Ca 0.16 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3hqu h MET 273 Cb 0.40 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3hqu h MET 273 CO 0.01 0.90 -0.45 0.77 1.06 0.00 0.00 176.91 179.20 3hqu h SER 274 N 1.07 0.28 -0.16 1.22 0.02 -1.14 -0.24 113.55 114.59 3hqu h SER 274 Ca 0.24 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 3hqu h SER 274 Cb 0.23 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hqu h SER 274 CO -0.02 0.70 -0.48 0.28 -1.14 0.00 0.00 176.83 176.17 3hqu h SER 275 N 0.22 0.80 -0.42 3.07 0.02 -0.54 -1.23 113.55 115.47 3hqu h SER 275 Ca 0.01 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.47 3hqu h SER 275 Cb 0.89 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3hqu h SER 275 CO 0.07 1.14 -0.12 0.24 -1.14 0.00 0.00 176.83 177.03 3hqu h MET 276 N 0.58 0.82 -0.67 3.45 2.86 -0.72 -2.87 114.93 118.38 3hqu h MET 276 Ca 0.03 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3hqu h MET 276 Cb 1.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 3hqu h MET 276 CO 0.10 0.95 0.44 -0.44 1.06 0.00 0.00 176.91 179.02 3hqu h ASP 277 N 0.64 0.75 -0.68 1.22 3.32 -0.84 -1.79 116.42 119.04 3hqu h ASP 277 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hqu h ASP 277 Cb 0.66 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3hqu h ASP 277 CO 0.04 0.54 0.43 0.44 -1.72 0.00 0.00 179.24 178.98 3hqu h ASP 278 N 0.89 0.80 -0.02 6.45 3.32 -1.13 0.29 116.42 127.02 3hqu h ASP 278 Ca 0.25 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hqu h ASP 278 Cb -0.09 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3hqu h ASP 278 CO -0.06 0.61 0.01 -0.07 -1.72 0.00 0.00 179.24 178.01 3hqu h LEU 279 N 0.93 0.02 -0.15 1.55 3.38 -1.26 0.04 115.31 119.81 3hqu h LEU 279 Ca 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hqu h LEU 279 Cb -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hqu h LEU 279 CO -0.05 0.08 0.10 0.40 0.09 0.00 0.00 178.44 179.06 3hqu h ILE 280 N -0.04 1.05 -0.62 1.22 1.08 -1.11 -2.22 117.51 116.87 3hqu h ILE 280 Ca 0.01 -0.12 0.12 0.00 -0.39 0.00 0.00 64.86 64.48 3hqu h ILE 280 Cb 0.07 0.86 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 3hqu h ILE 280 CO -0.00 0.05 0.10 -0.09 -0.69 0.00 0.00 178.15 177.52 3hqu h ARG 281 N 0.19 0.21 0.00 2.37 2.43 -0.20 0.29 114.38 119.67 3hqu h ARG 281 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hqu h ARG 281 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3hqu h ARG 281 CO -0.01 0.14 0.00 0.45 -1.51 0.00 0.00 179.97 179.04 3hqu h HIS 282 N 0.22 0.00 -0.34 2.20 3.86 -0.65 -1.92 115.15 118.52 3hqu h HIS 282 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3hqu h HIS 282 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3hqu h HIS 282 CO -0.28 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.51 3hqu n ASN 284 N 0.41 3.54 -0.07 0.00 5.15 -0.72 -1.89 115.26 121.68 3hqu n ASN 284 Ca 0.16 0.68 -0.01 0.00 -0.60 0.00 0.00 54.58 54.81 3hqu n ASN 284 Cb 0.75 -1.47 -0.00 0.00 -0.53 0.00 0.00 39.78 38.53 3hqu n ASN 284 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hqu n GLY 285 N 5.04 0.49 0.00 8.20 0.00 -1.26 -4.88 105.19 112.78 3hqu n GLY 285 Ca 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.98 3hqu n GLY 285 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqu n LYS 286 N -2.61 2.13 -2.82 1.61 5.02 -0.79 -4.88 118.16 115.82 3hqu n LYS 286 Ca -0.01 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3hqu n LYS 286 Cb 0.08 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 3hqu n LYS 286 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hqu s LEU 287 N -2.76 4.31 0.00 -0.35 1.43 -1.23 -4.89 118.68 115.19 3hqu s LEU 287 Ca -0.00 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 3hqu s LEU 287 Cb 0.01 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3hqu s LEU 287 CO 0.06 -1.44 0.00 0.61 0.23 0.00 0.00 176.35 175.81 3hqu n GLY 288 N 5.43 1.85 1.12 -3.19 0.00 -1.26 -2.36 105.19 106.78 3hqu n GLY 288 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.65 3hqu n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqu n SER 289 N -1.35 4.18 -4.80 1.61 3.41 -1.26 -4.92 113.62 110.48 3hqu n SER 289 Ca 0.00 -2.78 -0.33 0.00 -0.26 0.00 0.00 58.87 55.50 3hqu n SER 289 Cb 0.00 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.43 3hqu n SER 289 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hqu s TYR 290 N -2.42 2.97 -0.36 7.33 4.12 -0.99 -5.04 117.35 122.96 3hqu s TYR 290 Ca 0.43 1.51 0.00 0.00 0.02 0.00 0.00 57.07 59.03 3hqu s TYR 290 Cb 0.32 -3.02 0.12 0.00 -1.52 0.00 0.00 41.96 37.86 3hqu s TYR 290 CO 0.13 -1.14 0.16 0.21 0.02 0.00 0.00 175.55 174.93 3hqu s LYS 291 N -4.05 0.87 -0.18 -0.62 2.20 -1.26 -4.15 119.74 112.55 3hqu s LYS 291 Ca 0.64 -1.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.57 3hqu s LYS 291 Cb -0.16 -2.01 -0.01 0.00 -1.51 0.00 0.00 37.83 34.14 3hqu s LYS 291 CO 0.37 -1.07 1.25 0.42 -0.36 0.00 0.00 175.35 175.96 3hqu s ILE 292 N 1.17 4.29 -0.63 5.43 1.01 -1.26 -1.02 121.20 130.19 3hqu s ILE 292 Ca 0.13 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.43 3hqu s ILE 292 Cb -0.20 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 3hqu s ILE 292 CO -0.14 -0.16 0.49 -0.46 0.00 0.00 0.00 174.94 174.66 3hqu n ASN 293 N 6.67 0.78 -3.71 3.58 6.94 -1.04 -4.92 115.26 123.57 3hqu n ASN 293 Ca 0.14 -0.89 0.01 0.00 -0.02 0.00 0.00 54.58 53.82 3hqu n ASN 293 Cb 0.45 0.74 0.01 0.00 -2.36 0.00 0.00 39.78 38.62 3hqu n ASN 293 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3hqu s GLY 294 N -1.57 -0.09 0.27 4.83 0.00 -1.25 -5.03 107.32 104.48 3hqu s GLY 294 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 3hqu s GLY 294 CO 0.30 4.57 0.34 1.09 0.00 0.00 0.00 173.10 179.40 3hqu s ARG 295 N -2.08 1.58 0.77 2.90 1.70 -1.26 0.78 118.95 123.34 3hqu s ARG 295 Ca 0.27 -1.64 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 3hqu s ARG 295 Cb -0.01 0.38 0.13 0.00 -0.57 0.00 0.00 34.95 34.89 3hqu s ARG 295 CO 0.01 -0.61 1.06 0.95 -1.08 0.00 0.00 175.30 175.62 3hqu s THR 296 N -3.68 2.14 0.96 4.99 -4.23 -0.49 -4.93 115.64 110.39 3hqu s THR 296 Ca 0.33 -0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 3hqu s THR 296 Cb 0.02 -2.69 0.17 0.00 1.34 0.00 0.00 72.50 71.33 3hqu s THR 296 CO 0.16 0.00 1.15 -0.54 -0.54 0.00 0.00 174.62 174.85 3hqu s LYS 297 N -5.30 0.75 0.03 3.99 1.02 -1.26 -4.70 119.74 114.27 3hqu s LYS 297 Ca 0.67 0.19 -0.28 0.00 0.02 0.00 0.00 55.97 56.57 3hqu s LYS 297 Cb -0.06 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 3hqu s LYS 297 CO 0.46 -2.44 0.89 0.00 -0.92 0.00 0.00 175.35 173.34 3hqu s ALA 298 N -3.28 3.25 -0.37 5.17 0.00 0.07 -4.63 121.76 121.96 3hqu s ALA 298 Ca 0.66 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 3hqu s ALA 298 Cb -0.13 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3hqu s ALA 298 CO 0.54 -0.10 0.23 1.41 0.00 0.00 0.00 175.76 177.84 3hqu s MET 299 N 0.49 3.08 -0.21 0.00 1.75 0.23 -0.40 119.30 124.23 3hqu s MET 299 Ca 0.46 -0.92 -0.18 0.00 -1.25 0.00 0.00 55.69 53.79 3hqu s MET 299 Cb -0.21 -3.79 -0.03 0.00 2.84 0.00 0.00 34.83 33.64 3hqu s MET 299 CO 0.26 -0.62 0.51 0.08 -0.65 0.00 0.00 175.02 174.60 3hqu s VAL 300 N 1.63 5.11 0.03 10.11 1.01 -0.42 -0.39 120.40 137.48 3hqu s VAL 300 Ca 0.04 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.01 3hqu s VAL 300 Cb -0.18 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3hqu s VAL 300 CO 0.08 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.15 3hqu s ALA 301 N 1.70 2.49 -0.28 5.51 0.00 -0.35 -2.09 121.76 128.74 3hqu s ALA 301 Ca 0.23 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3hqu s ALA 301 Cb -0.15 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.36 3hqu s ALA 301 CO 0.09 0.56 0.07 0.00 0.00 0.00 0.00 175.76 176.49 3hqu s TYR 303 N 1.64 2.98 0.40 0.00 2.02 0.17 -1.58 117.35 122.98 3hqu s TYR 303 Ca 0.07 0.92 0.31 0.00 -0.37 0.00 0.00 57.07 57.99 3hqu s TYR 303 Cb -0.17 -4.04 1.68 0.00 -0.40 0.00 0.00 41.96 39.03 3hqu s TYR 303 CO -0.21 -1.01 1.93 -1.00 -1.57 0.00 0.00 175.55 173.69 3hqu h PRO 304 N 8.68 0.00 0.00 -1.71 0.13 -1.86 0.25 132.00 137.49 3hqu h PRO 304 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3hqu h PRO 304 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hqu h PRO 304 CO 1.07 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 3hqu n GLY 305 N -1.20 0.90 2.11 1.56 0.00 -1.25 -3.80 105.19 103.52 3hqu n GLY 305 Ca -0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3hqu n GLY 305 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hqu n ASN 306 N 0.67 3.99 0.00 1.61 6.94 -1.13 -3.93 115.26 123.40 3hqu n ASN 306 Ca 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 54.58 51.05 3hqu n ASN 306 Cb 0.03 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 3hqu n ASN 306 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hqu n GLY 307 N -0.88 0.65 3.88 4.83 0.00 0.21 -5.00 105.19 108.88 3hqu n GLY 307 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 3hqu n GLY 307 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hqu s THR 308 N -2.45 4.90 0.00 2.61 -4.23 -1.25 -4.35 115.64 110.88 3hqu s THR 308 Ca 0.00 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3hqu s THR 308 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3hqu s THR 308 CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3hqu n GLY 309 N -0.88 5.52 2.88 3.99 0.00 -1.26 -0.89 105.19 114.55 3hqu n GLY 309 Ca 0.00 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 3hqu n GLY 309 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hqu s TYR 310 N 1.75 -0.19 0.85 1.61 5.04 0.65 -4.67 117.35 122.38 3hqu s TYR 310 Ca 0.00 0.60 -0.13 0.00 -2.44 0.00 0.00 57.07 55.09 3hqu s TYR 310 Cb 0.00 -0.19 0.04 0.00 0.35 0.00 0.00 41.96 42.16 3hqu s TYR 310 CO 0.00 -0.24 0.73 1.33 -1.34 0.00 0.00 175.55 176.03 3hqu n VAL 311 N 4.96 1.02 -1.72 3.14 0.24 -1.26 -1.54 118.33 123.17 3hqu n VAL 311 Ca -0.12 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.34 61.52 3hqu n VAL 311 Cb 0.50 -0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 32.00 3hqu n VAL 311 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3hqu n ARG 312 N -2.15 2.60 -3.88 7.34 0.63 -1.26 -4.58 116.66 115.37 3hqu n ARG 312 Ca 0.10 0.93 -0.08 0.00 -0.92 0.00 0.00 57.85 57.88 3hqu n ARG 312 Cb 0.52 -2.73 -0.01 0.00 0.45 0.00 0.00 32.46 30.68 3hqu n ARG 312 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3hqu s HIS 313 N 0.67 0.07 -0.14 -0.14 -3.43 0.14 -4.91 115.29 107.56 3hqu s HIS 313 Ca 0.72 -0.57 0.01 0.00 -0.80 0.00 0.00 55.06 54.42 3hqu s HIS 313 Cb -0.54 0.62 -0.00 0.00 -1.43 0.00 0.00 32.58 31.23 3hqu s HIS 313 CO 0.39 -1.30 -0.18 0.08 -2.00 0.00 0.00 174.74 171.73 3hqu s VAL 314 N -3.37 2.48 0.11 -5.38 1.01 -1.26 -0.44 120.40 113.55 3hqu s VAL 314 Ca 0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3hqu s VAL 314 Cb -0.05 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 3hqu s VAL 314 CO 0.10 0.53 1.68 0.44 0.00 0.00 0.00 175.10 177.85 3hqu h ASP 315 N 7.11 -0.38 -3.34 3.32 3.45 -1.83 -3.35 116.42 121.40 3hqu h ASP 315 Ca -0.29 0.06 -0.61 0.00 0.43 0.00 0.00 57.03 56.61 3hqu h ASP 315 Cb 1.20 0.16 -0.40 0.00 -0.56 0.00 0.00 39.33 39.73 3hqu h ASP 315 CO 0.55 -0.18 -0.71 0.21 -1.57 0.00 0.00 179.24 177.53 3hqu s ASN 316 N -5.02 3.72 0.37 6.45 2.47 -0.29 -4.95 114.94 117.70 3hqu s ASN 316 Ca -0.14 -3.08 0.23 0.00 0.42 0.00 0.00 52.86 50.28 3hqu s ASN 316 Cb 0.08 -1.19 0.28 0.00 -1.45 0.00 0.00 41.25 38.97 3hqu s ASN 316 CO 0.67 -0.20 1.48 1.55 -3.72 0.00 0.00 177.10 176.88 3hqu h PRO 317 N 6.17 0.00 -0.65 0.43 0.13 -1.82 -3.38 132.00 132.88 3hqu h PRO 317 Ca 0.07 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.74 3hqu h PRO 317 Cb 0.87 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.68 3hqu h PRO 317 CO 0.56 0.00 -0.48 0.09 -0.23 0.00 0.00 178.00 177.94 3hqu n ASN 318 N -2.96 4.62 -3.79 1.44 3.02 -1.26 -4.92 115.26 111.42 3hqu n ASN 318 Ca 0.03 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.47 3hqu n ASN 318 Cb 0.53 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3hqu n ASN 318 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hqu n GLY 319 N -0.83 -0.83 0.56 7.41 0.00 -1.26 -4.88 105.19 105.36 3hqu n GLY 319 Ca 0.42 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.93 3hqu n GLY 319 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hqu n ASP 320 N -2.66 1.68 0.00 1.61 5.68 -1.26 -4.68 116.55 116.93 3hqu n ASP 320 Ca -0.14 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3hqu n ASP 320 Cb 0.60 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3hqu n ASP 320 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hqu n GLY 321 N 1.14 2.43 3.64 6.12 0.00 -1.26 -4.62 105.19 112.64 3hqu n GLY 321 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3hqu n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hqu s ARG 322 N -0.32 4.03 -0.14 1.61 0.52 -1.26 -0.86 118.95 122.53 3hqu s ARG 322 Ca 0.00 1.55 0.13 0.00 -0.52 0.00 0.00 55.73 56.89 3hqu s ARG 322 Cb 0.00 -3.88 -0.18 0.00 0.52 0.00 0.00 34.95 31.42 3hqu s ARG 322 CO 0.00 -0.98 0.05 0.00 0.02 0.00 0.00 175.30 174.39 3hqu s VAL 324 N -2.35 1.02 -0.14 0.00 1.01 -1.17 -1.04 120.40 117.73 3hqu s VAL 324 Ca -0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hqu s VAL 324 Cb 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3hqu s VAL 324 CO 0.59 0.32 0.07 -0.89 0.00 0.00 0.00 175.10 175.20 3hqu s THR 325 N 0.50 4.92 -0.12 3.92 2.01 -0.21 -0.90 115.64 125.77 3hqu s THR 325 Ca -0.10 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3hqu s THR 325 Cb -0.13 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.24 3hqu s THR 325 CO 0.02 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.41 3hqu s ILE 327 N 1.56 1.64 -0.18 0.00 1.01 -0.36 -0.99 121.20 123.88 3hqu s ILE 327 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3hqu s ILE 327 Cb -0.13 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 3hqu s ILE 327 CO -0.08 0.47 -0.09 -0.47 0.00 0.00 0.00 174.94 174.77 3hqu s TYR 328 N 0.09 2.89 -0.01 3.97 5.04 0.20 -0.13 117.35 129.40 3hqu s TYR 328 Ca -0.07 -0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 53.61 3hqu s TYR 328 Cb -0.13 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.15 3hqu s TYR 328 CO 0.04 -0.46 0.19 0.71 -1.34 0.00 0.00 175.55 174.69 3hqu s TYR 329 N 1.05 3.56 -0.33 4.97 2.02 -0.04 -0.73 117.35 127.86 3hqu s TYR 329 Ca -0.00 0.40 0.16 0.00 -0.37 0.00 0.00 57.07 57.25 3hqu s TYR 329 Cb -0.15 -1.86 0.46 0.00 -0.40 0.00 0.00 41.96 40.02 3hqu s TYR 329 CO -0.02 0.65 1.04 1.47 -1.57 0.00 0.00 175.55 177.12 3hqu n LEU 330 N 1.03 2.41 -4.19 -1.29 -0.00 -1.23 -1.22 117.00 112.52 3hqu n LEU 330 Ca -0.11 -3.93 -0.38 0.00 -0.00 0.00 0.00 56.01 51.59 3hqu n LEU 330 Cb 0.53 0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 44.04 3hqu n LEU 330 CO 0.43 1.61 -0.18 0.20 -0.00 0.00 0.00 177.39 179.46 3hqu s ASN 331 N -3.41 5.35 0.35 1.45 0.01 -1.25 -4.81 114.94 112.64 3hqu s ASN 331 Ca 0.33 -1.67 -0.28 0.00 -0.71 0.00 0.00 52.86 50.53 3hqu s ASN 331 Cb 0.41 -1.87 -0.11 0.00 0.41 0.00 0.00 41.25 40.09 3hqu s ASN 331 CO -0.02 -0.49 1.49 -0.54 -1.51 0.00 0.00 177.10 176.03 3hqu s LYS 332 N 1.28 4.13 -1.51 -0.60 -0.14 -1.26 -2.09 119.74 119.56 3hqu s LYS 332 Ca 0.04 2.54 -0.02 0.00 -1.36 0.00 0.00 55.97 57.16 3hqu s LYS 332 Cb -0.22 -2.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.96 3hqu s LYS 332 CO -0.01 -0.52 0.06 -0.25 -0.76 0.00 0.00 175.35 173.86 3hqu n ASP 333 N 0.85 0.64 -4.69 2.83 8.00 -1.26 -4.85 116.55 118.07 3hqu n ASP 333 Ca 0.02 -1.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 3hqu n ASP 333 Cb 0.39 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.95 3hqu n ASP 333 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3hqu s TRP 334 N -4.20 3.42 -0.34 1.24 -0.11 -1.19 -4.99 118.94 112.76 3hqu s TRP 334 Ca 0.08 1.47 0.03 0.00 1.22 0.00 0.00 56.10 58.90 3hqu s TRP 334 Cb -0.05 -3.27 0.10 0.00 -1.50 0.00 0.00 33.47 28.75 3hqu s TRP 334 CO 0.95 -0.62 0.06 0.34 -4.62 0.00 0.00 176.95 173.07 3hqu s ASP 335 N 1.21 4.83 0.55 5.86 3.68 -1.26 -4.95 116.67 126.58 3hqu s ASP 335 Ca 0.52 -2.08 0.24 0.00 2.13 0.00 0.00 52.55 53.35 3hqu s ASP 335 Cb -0.21 -1.66 1.48 0.00 -1.45 0.00 0.00 42.92 41.08 3hqu s ASP 335 CO 0.21 -0.39 2.11 0.00 0.13 0.00 0.00 175.17 177.23 3hqu h ALA 336 N 7.69 2.00 -0.08 3.66 0.00 -1.93 0.14 119.26 130.74 3hqu h ALA 336 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hqu h ALA 336 Cb 1.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hqu h ALA 336 CO 0.54 -0.24 0.03 -0.22 0.00 0.00 0.00 179.25 179.36 3hqu h LYS 337 N 0.00 0.11 0.00 0.00 3.11 -1.93 0.63 116.57 118.48 3hqu h LYS 337 Ca 0.08 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.81 3hqu h LYS 337 Cb 0.38 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 3hqu h LYS 337 CO -0.00 0.09 -1.44 1.33 -2.81 0.00 0.00 179.45 176.62 3hqu n VAL 338 N -4.50 0.40 0.87 2.00 0.24 -0.78 -4.70 118.33 111.85 3hqu n VAL 338 Ca -0.02 -0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.12 3hqu n VAL 338 Cb 0.10 -0.67 -0.10 0.00 -1.47 0.00 0.00 33.84 31.70 3hqu n VAL 338 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3hqu n SER 339 N -2.18 0.84 0.00 -1.34 7.64 -0.03 -4.84 113.62 113.71 3hqu n SER 339 Ca -0.10 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3hqu n SER 339 Cb 0.65 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.91 3hqu n SER 339 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hqu n GLY 340 N 1.47 2.09 2.28 0.23 0.00 0.21 -0.93 105.19 110.55 3hqu n GLY 340 Ca 0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 3hqu n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqu n GLY 341 N 0.00 0.73 3.77 -0.02 0.00 -0.39 -4.42 105.19 104.85 3hqu n GLY 341 Ca 0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3hqu n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqu s ILE 342 N -2.47 3.17 -0.34 -0.61 -1.09 -1.26 -4.40 121.20 114.19 3hqu s ILE 342 Ca 0.00 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.22 3hqu s ILE 342 Cb 0.00 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3hqu s ILE 342 CO 0.00 0.06 0.37 -0.22 -1.23 0.00 0.00 174.94 173.91 3hqu s LEU 343 N -2.64 4.40 -0.24 2.97 0.20 0.06 -0.53 118.68 122.90 3hqu s LEU 343 Ca 0.59 -0.18 -0.07 0.00 0.69 0.00 0.00 54.13 55.16 3hqu s LEU 343 Cb -0.30 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.09 3hqu s LEU 343 CO 0.37 -0.33 0.05 -0.60 -0.29 0.00 0.00 176.35 175.55 3hqu s ARG 344 N 2.03 3.60 -0.12 1.98 3.52 0.40 -0.88 118.95 129.48 3hqu s ARG 344 Ca 0.12 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3hqu s ARG 344 Cb -0.16 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3hqu s ARG 344 CO 0.12 -0.19 -0.01 0.42 -0.81 0.00 0.00 175.30 174.83 3hqu s ILE 345 N 1.58 4.18 -0.77 4.11 1.01 -0.01 -0.79 121.20 130.50 3hqu s ILE 345 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3hqu s ILE 345 Cb -0.15 -2.79 0.19 0.00 0.01 0.00 0.00 42.46 39.72 3hqu s ILE 345 CO 0.02 0.55 0.63 -0.36 0.00 0.00 0.00 174.94 175.78 3hqu s PHE 346 N -0.30 3.67 0.19 3.97 0.40 0.12 0.20 117.98 126.23 3hqu s PHE 346 Ca 0.06 -2.86 -0.33 0.00 -0.60 0.00 0.00 56.93 53.20 3hqu s PHE 346 Cb -0.12 -3.24 -0.14 0.00 0.51 0.00 0.00 43.02 40.03 3hqu s PHE 346 CO 0.02 -0.79 1.52 -2.30 0.70 0.00 0.00 175.22 174.37 3hqu n PRO 347 N 2.88 2.11 -0.05 0.24 -0.02 -1.26 -3.85 135.00 135.04 3hqu n PRO 347 Ca 0.15 0.76 -0.07 0.00 -2.02 0.00 0.00 63.50 62.31 3hqu n PRO 347 Cb 0.38 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3hqu n PRO 347 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hqu h GLU 348 N 5.28 -0.09 -2.02 -0.52 4.81 -1.64 -2.81 114.58 117.60 3hqu h GLU 348 Ca -0.45 0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 58.36 3hqu h GLU 348 Cb 1.26 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.52 3hqu h GLU 348 CO 0.84 -0.06 0.24 0.41 -0.73 0.00 0.00 179.01 179.71 3hqu n GLY 349 N -1.29 4.01 3.42 1.92 0.00 -1.26 -4.86 105.19 107.14 3hqu n GLY 349 Ca -0.01 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 3hqu n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqu s LYS 350 N -0.97 0.84 -0.02 1.61 -0.14 -1.06 -5.05 119.74 114.95 3hqu s LYS 350 Ca 0.61 0.27 -0.01 0.00 -1.36 0.00 0.00 55.97 55.48 3hqu s LYS 350 Cb 0.36 0.39 -0.26 0.00 -1.68 0.00 0.00 37.83 36.64 3hqu s LYS 350 CO -0.16 -0.22 0.77 0.00 -0.76 0.00 0.00 175.35 174.97 3hqu h ALA 351 N 3.84 0.39 -1.97 5.17 0.00 -1.89 -3.45 119.26 121.34 3hqu h ALA 351 Ca -0.28 -1.21 -0.46 0.00 0.00 0.00 0.00 54.91 52.97 3hqu h ALA 351 Cb 1.16 0.36 0.12 0.00 0.00 0.00 0.00 17.79 19.44 3hqu h ALA 351 CO 0.33 1.25 0.31 -0.65 0.00 0.00 0.00 179.25 180.49 3hqu s GLN 352 N -2.61 1.29 0.16 0.00 -1.52 -1.26 -5.08 119.66 110.64 3hqu s GLN 352 Ca -0.10 -0.50 0.04 0.00 -1.95 0.00 0.00 55.36 52.85 3hqu s GLN 352 Cb 0.07 -2.03 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 3hqu s GLN 352 CO 0.83 -1.90 -0.08 -0.59 -0.25 0.00 0.00 175.29 173.30 3hqu s PHE 353 N -3.57 1.31 -0.19 0.91 -0.12 -1.26 -4.33 117.98 110.72 3hqu s PHE 353 Ca 0.69 -0.79 -0.05 0.00 -0.05 0.00 0.00 56.93 56.72 3hqu s PHE 353 Cb -0.06 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.62 3hqu s PHE 353 CO 0.49 0.05 -0.01 0.00 -0.05 0.00 0.00 175.22 175.71 3hqu s ALA 354 N -3.35 3.02 -0.30 1.99 0.00 0.13 -4.94 121.76 118.32 3hqu s ALA 354 Ca 0.19 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3hqu s ALA 354 Cb 0.03 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3hqu s ALA 354 CO 0.02 -0.09 0.18 -0.51 0.00 0.00 0.00 175.76 175.35 3hqu s ASP 355 N 0.90 5.80 -0.18 0.00 1.11 -1.26 -0.83 116.67 122.21 3hqu s ASP 355 Ca 0.01 -0.25 0.01 0.00 0.18 0.00 0.00 52.55 52.50 3hqu s ASP 355 Cb -0.14 -2.07 0.01 0.00 1.07 0.00 0.00 42.92 41.79 3hqu s ASP 355 CO 0.02 -0.12 -0.18 -0.63 1.18 0.00 0.00 175.17 175.43 3hqu s ILE 356 N 1.70 2.26 0.19 0.77 1.01 -0.06 -4.96 121.20 122.11 3hqu s ILE 356 Ca 0.06 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 3hqu s ILE 356 Cb -0.16 -1.95 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 3hqu s ILE 356 CO 0.09 0.53 0.84 -1.61 0.00 0.00 0.00 174.94 174.78 3hqu s GLU 357 N 1.20 4.68 -0.29 2.79 2.02 -1.26 -0.76 118.70 127.07 3hqu s GLU 357 Ca 0.02 1.28 -0.04 0.00 0.02 0.00 0.00 54.97 56.25 3hqu s GLU 357 Cb -0.14 -3.27 -0.13 0.00 0.10 0.00 0.00 34.13 30.69 3hqu s GLU 357 CO -0.09 0.55 2.37 -0.35 0.02 0.00 0.00 175.26 177.75 3hqu n PRO 358 N 1.58 1.54 -2.02 0.39 -0.04 -1.26 -4.94 135.00 130.25 3hqu n PRO 358 Ca -0.04 -0.89 -0.36 0.00 -0.04 0.00 0.00 63.50 62.17 3hqu n PRO 358 Cb 0.48 -2.01 0.03 0.00 -0.04 0.00 0.00 33.50 31.96 3hqu n PRO 358 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hqu s LYS 359 N 2.20 2.99 0.28 0.54 1.02 -1.26 -3.76 119.74 121.76 3hqu s LYS 359 Ca 0.42 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.90 3hqu s LYS 359 Cb 0.17 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.43 3hqu s LYS 359 CO -0.01 -1.18 1.56 0.34 -0.92 0.00 0.00 175.35 175.14 3hqu n PHE 360 N -1.59 2.72 -1.62 3.18 -0.00 -0.89 -2.27 117.46 116.98 3hqu n PHE 360 Ca 0.13 0.29 -0.18 0.00 -0.00 0.00 0.00 57.45 57.69 3hqu n PHE 360 Cb 0.50 -2.57 -0.07 0.00 -0.00 0.00 0.00 39.48 37.34 3hqu n PHE 360 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3hqu n ASP 361 N 2.17 -5.18 -4.78 -2.13 4.64 -0.35 -4.63 116.55 106.28 3hqu n ASP 361 Ca 0.09 0.39 -0.37 0.00 -1.38 0.00 0.00 54.79 53.52 3hqu n ASP 361 Cb 0.36 -4.27 -0.06 0.00 -1.04 0.00 0.00 41.12 36.10 3hqu n ASP 361 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 3hqu s ARG 362 N -3.70 4.07 -0.09 -0.67 3.52 -0.96 -1.19 118.95 119.93 3hqu s ARG 362 Ca 0.00 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 3hqu s ARG 362 Cb 0.00 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3hqu s ARG 362 CO 0.00 0.44 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.61 3hqu s LEU 363 N -0.20 2.67 0.02 -0.88 2.96 0.12 -0.86 118.68 122.51 3hqu s LEU 363 Ca 0.20 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 3hqu s LEU 363 Cb -0.15 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3hqu s LEU 363 CO 0.08 0.25 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.98 3hqu s LEU 364 N -0.19 2.11 -0.02 -0.68 2.96 0.82 -0.13 118.68 123.55 3hqu s LEU 364 Ca -0.00 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3hqu s LEU 364 Cb -0.13 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 3hqu s LEU 364 CO 0.03 0.14 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.70 3hqu s PHE 365 N -0.63 1.28 -0.20 5.38 0.40 -0.08 -1.22 117.98 122.91 3hqu s PHE 365 Ca 0.05 -0.27 -0.27 0.00 -0.60 0.00 0.00 56.93 55.84 3hqu s PHE 365 Cb -0.07 -0.84 0.09 0.00 0.51 0.00 0.00 43.02 42.70 3hqu s PHE 365 CO 0.01 -0.05 0.80 -0.59 0.70 0.00 0.00 175.22 176.08 3hqu s PHE 366 N -0.22 -0.65 0.17 0.36 -0.12 -0.88 -0.42 117.98 116.22 3hqu s PHE 366 Ca 0.03 1.42 -0.34 0.00 -0.05 0.00 0.00 56.93 58.00 3hqu s PHE 366 Cb -0.07 0.35 -0.14 0.00 -0.63 0.00 0.00 43.02 42.53 3hqu s PHE 366 CO -0.00 -0.41 1.50 0.91 -0.05 0.00 0.00 175.22 177.17 3hqu n TRP 367 N 1.90 2.13 0.67 3.49 5.03 -0.91 -1.05 117.44 128.69 3hqu n TRP 367 Ca -0.15 0.36 0.12 0.00 3.03 0.00 0.00 57.50 60.87 3hqu n TRP 367 Cb 0.56 -2.49 0.47 0.00 -1.03 0.00 0.00 31.31 28.82 3hqu n TRP 367 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 3hqu n SER 368 N 3.03 0.47 -2.11 -0.99 7.64 -0.21 -4.30 113.62 117.15 3hqu n SER 368 Ca 0.16 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3hqu n SER 368 Cb 0.28 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3hqu n SER 368 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hqu n ASP 369 N -1.96 0.00 0.31 6.43 5.68 -1.26 -1.14 116.55 124.61 3hqu n ASP 369 Ca 0.05 -0.24 0.14 0.00 -0.50 0.00 0.00 54.79 54.24 3hqu n ASP 369 Cb 0.34 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.07 3hqu n ASP 369 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3hqu h ARG 370 N 0.00 0.00 0.00 0.11 -0.00 -1.91 -2.09 114.38 110.49 3hqu h ARG 370 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 3hqu h ARG 370 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 3hqu h ARG 370 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 179.97 179.82 3hqu h ARG 371 N 0.00 0.00 -2.44 0.04 3.08 -1.91 -3.36 114.38 109.79 3hqu h ARG 371 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3hqu h ARG 371 Cb 0.63 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.26 3hqu h ARG 371 CO 0.00 0.15 -0.68 0.09 -1.07 0.00 0.00 179.97 178.46 3hqu n ASN 372 N -3.89 2.78 -4.77 7.04 3.02 -0.79 -1.78 115.26 116.88 3hqu n ASN 372 Ca -0.02 -3.20 -0.39 0.00 -0.03 0.00 0.00 54.58 50.94 3hqu n ASN 372 Cb 0.25 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 3hqu n ASN 372 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3hqu s PRO 373 N -1.84 4.07 0.26 3.52 0.02 -1.25 -4.72 135.00 135.07 3hqu s PRO 373 Ca 0.34 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3hqu s PRO 373 Cb 0.09 -2.73 -0.00 0.00 0.02 0.00 0.00 34.50 31.88 3hqu s PRO 373 CO -0.08 -0.33 0.47 -3.38 -0.33 0.00 0.00 177.00 173.35 3hqu s HIS 374 N -1.36 0.50 0.06 6.54 -3.43 0.42 -0.71 115.29 117.30 3hqu s HIS 374 Ca 0.56 -0.85 -0.19 0.00 -0.80 0.00 0.00 55.06 53.79 3hqu s HIS 374 Cb -0.33 0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.00 3hqu s HIS 374 CO 0.41 -1.02 0.44 -1.83 -2.00 0.00 0.00 174.74 170.74 3hqu s GLU 375 N -3.82 0.97 -0.29 -0.38 -1.05 0.03 0.25 118.70 114.41 3hqu s GLU 375 Ca 0.24 -0.37 -0.07 0.00 -0.15 0.00 0.00 54.97 54.62 3hqu s GLU 375 Cb -0.00 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 3hqu s GLU 375 CO 0.11 -0.34 0.07 0.08 0.95 0.00 0.00 175.26 176.13 3hqu s VAL 376 N -2.64 3.93 0.54 1.83 1.01 -0.59 -0.45 120.40 124.04 3hqu s VAL 376 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3hqu s VAL 376 Cb -0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3hqu s VAL 376 CO -0.03 0.10 1.17 -1.10 0.00 0.00 0.00 175.10 175.24 3hqu s GLN 377 N 1.50 3.30 0.01 2.72 -0.21 0.31 -0.25 119.66 127.03 3hqu s GLN 377 Ca 0.03 1.74 -0.40 0.00 0.02 0.00 0.00 55.36 56.75 3hqu s GLN 377 Cb -0.17 -2.06 -0.20 0.00 1.00 0.00 0.00 33.01 31.58 3hqu s GLN 377 CO 0.02 -0.92 1.06 -2.30 -2.12 0.00 0.00 175.29 171.03 3hqu n PRO 378 N -1.23 0.03 -4.35 2.91 -0.02 -1.26 -2.90 135.00 128.19 3hqu n PRO 378 Ca 0.11 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.27 3hqu n PRO 378 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.35 3hqu n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqu s ALA 379 N -0.02 3.02 -1.78 3.55 0.00 -0.07 -1.27 121.76 125.20 3hqu s ALA 379 Ca 0.90 -0.83 0.17 0.00 0.00 0.00 0.00 51.96 52.20 3hqu s ALA 379 Cb -1.25 -1.60 0.35 0.00 0.00 0.00 0.00 23.12 20.62 3hqu s ALA 379 CO 0.57 0.17 1.26 0.66 0.00 0.00 0.00 175.76 178.43 3hqu n TYR 380 N 3.60 0.44 -3.96 0.00 4.02 -0.11 -0.62 117.16 120.53 3hqu n TYR 380 Ca -0.17 -0.29 -0.10 0.00 -0.01 0.00 0.00 57.90 57.32 3hqu n TYR 380 Cb 0.52 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.72 3hqu n TYR 380 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hqu s ALA 381 N -1.20 0.11 -0.15 -0.72 0.00 -1.25 -4.74 121.76 113.81 3hqu s ALA 381 Ca 0.30 -0.44 -0.38 0.00 0.00 0.00 0.00 51.96 51.45 3hqu s ALA 381 Cb 0.17 0.10 -0.15 0.00 0.00 0.00 0.00 23.12 23.25 3hqu s ALA 381 CO 0.24 -0.11 1.68 2.41 0.00 0.00 0.00 175.76 179.98 3hqu n THR 382 N 2.00 0.28 -4.00 0.00 -1.04 -1.25 -3.88 114.28 106.39 3hqu n THR 382 Ca -0.21 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.45 3hqu n THR 382 Cb 0.56 -1.29 -0.16 0.00 -1.82 0.00 0.00 70.33 67.62 3hqu n THR 382 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3hqu s ARG 383 N 2.91 2.15 0.03 -2.82 3.52 0.87 -4.95 118.95 120.67 3hqu s ARG 383 Ca 0.94 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 3hqu s ARG 383 Cb -0.95 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3hqu s ARG 383 CO 0.58 -0.32 0.05 0.71 -0.81 0.00 0.00 175.30 175.51 3hqu s TYR 384 N 1.46 3.16 0.04 5.12 2.02 -1.26 -0.65 117.35 127.24 3hqu s TYR 384 Ca 0.03 0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.62 3hqu s TYR 384 Cb -0.14 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.80 3hqu s TYR 384 CO -0.10 0.51 0.48 0.00 -1.57 0.00 0.00 175.55 174.87 3hqu s ALA 385 N -1.23 -1.21 -0.12 3.71 0.00 -0.75 -3.48 121.76 118.67 3hqu s ALA 385 Ca 0.24 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 3hqu s ALA 385 Cb -0.12 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3hqu s ALA 385 CO 0.15 -0.48 -0.09 0.42 0.00 0.00 0.00 175.76 175.77 3hqu s ILE 386 N -2.39 1.15 -0.05 0.00 1.01 0.09 -1.21 121.20 119.81 3hqu s ILE 386 Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3hqu s ILE 386 Cb -0.01 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3hqu s ILE 386 CO -0.01 0.38 -0.10 -0.89 0.00 0.00 0.00 174.94 174.32 3hqu s THR 387 N 1.66 3.42 -0.03 2.92 2.01 0.48 -0.62 115.64 125.47 3hqu s THR 387 Ca 0.05 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3hqu s THR 387 Cb -0.13 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.03 3hqu s THR 387 CO -0.09 0.57 0.00 -0.69 -0.69 0.00 0.00 174.62 173.73 3hqu s VAL 388 N -0.80 0.15 -0.14 3.82 1.01 -0.16 0.75 120.40 125.02 3hqu s VAL 388 Ca 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3hqu s VAL 388 Cb -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3hqu s VAL 388 CO 0.02 0.13 -0.01 0.26 0.00 0.00 0.00 175.10 175.50 3hqu s TRP 389 N 0.99 3.09 -0.11 5.22 0.51 -1.26 -0.94 118.94 126.43 3hqu s TRP 389 Ca -0.10 -0.10 -0.10 0.00 -2.12 0.00 0.00 56.10 53.68 3hqu s TRP 389 Cb -0.13 -1.92 -0.05 0.00 -0.81 0.00 0.00 33.47 30.56 3hqu s TRP 389 CO -0.02 0.14 0.22 0.71 -0.51 0.00 0.00 176.95 177.50 3hqu s TYR 390 N -0.01 3.59 -0.04 -1.98 2.02 -0.07 -1.40 117.35 119.45 3hqu s TYR 390 Ca 0.02 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.22 3hqu s TYR 390 Cb -0.13 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 3hqu s TYR 390 CO 0.02 0.59 0.34 -0.06 -1.57 0.00 0.00 175.55 174.87 3hqu s PHE 391 N -0.66 3.68 -0.22 2.71 0.40 0.23 -1.34 117.98 122.78 3hqu s PHE 391 Ca 0.16 0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 57.17 3hqu s PHE 391 Cb -0.13 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 3hqu s PHE 391 CO 0.05 0.64 0.49 0.34 0.70 0.00 0.00 175.22 177.45 3hqu s ASP 392 N -0.97 6.50 0.28 1.36 2.15 -0.04 -2.50 116.67 123.45 3hqu s ASP 392 Ca 0.21 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.80 3hqu s ASP 392 Cb -0.15 -2.28 0.67 0.00 -0.30 0.00 0.00 42.92 40.86 3hqu s ASP 392 CO 0.11 -0.19 1.66 0.00 -0.17 0.00 0.00 175.17 176.58 3hqu h ALA 393 N 7.61 1.25 -0.02 3.66 0.00 -1.40 -1.53 119.26 128.82 3hqu h ALA 393 Ca -0.33 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hqu h ALA 393 Cb 1.15 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hqu h ALA 393 CO 0.73 -0.42 -0.14 0.22 0.00 0.00 0.00 179.25 179.64 3hqu h ASP 394 N 0.26 0.16 -0.79 0.00 1.82 -1.94 -1.09 116.42 114.83 3hqu h ASP 394 Ca 0.53 -0.69 0.04 0.00 -0.39 0.00 0.00 57.03 56.52 3hqu h ASP 394 Cb 1.03 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.94 3hqu h ASP 394 CO -0.60 0.82 0.50 -0.08 -1.61 0.00 0.00 179.24 178.27 3hqu h GLU 395 N -0.50 0.93 -0.32 0.28 4.81 -1.84 -2.48 114.58 115.46 3hqu h GLU 395 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3hqu h GLU 395 Cb 0.83 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3hqu h GLU 395 CO 0.03 0.62 0.02 -0.09 -0.73 0.00 0.00 179.01 178.86 3hqu h ARG 396 N 0.96 0.55 -0.35 1.92 9.65 -1.34 -2.20 114.38 123.57 3hqu h ARG 396 Ca 0.33 -0.16 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 3hqu h ARG 396 Cb 0.05 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3hqu h ARG 396 CO -0.13 0.67 0.24 0.00 2.80 0.00 0.00 179.97 183.55 3hqu h ALA 397 N 0.86 1.93 -0.03 2.80 0.00 -0.75 -2.17 119.26 121.90 3hqu h ALA 397 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hqu h ALA 397 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hqu h ALA 397 CO 0.01 0.02 -0.03 2.89 0.00 0.00 0.00 179.25 182.14 3hqu n ARG 398 N -4.48 2.07 -0.35 0.00 1.85 -1.01 -4.60 116.66 110.14 3hqu n ARG 398 Ca 0.04 -1.79 0.24 0.00 -1.00 0.00 0.00 57.85 55.34 3hqu n ARG 398 Cb 0.19 -1.43 0.49 0.00 -1.05 0.00 0.00 32.46 30.65 3hqu n ARG 398 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hqu h ALA 399 N 4.37 2.11 -0.23 2.89 0.00 -0.73 -0.60 119.26 127.07 3hqu h ALA 399 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hqu h ALA 399 Cb 0.92 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hqu h ALA 399 CO 0.00 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.25 3hqu n LYS 400 N -4.83 1.80 0.00 0.00 5.02 -1.26 -4.27 118.16 114.62 3hqu n LYS 400 Ca 0.29 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 3hqu n LYS 400 Cb 0.96 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3hqu n LYS 400 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3hqu n VAL 401 N 0.44 0.01 1.52 -0.18 0.24 -0.29 -5.25 118.33 114.81 3hqu n VAL 401 Ca 0.15 -0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 3hqu n VAL 401 Cb 0.34 1.77 0.54 0.00 -1.47 0.00 0.00 33.84 35.02 3hqu n VAL 401 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98