#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h60 n SER 177 N 0.00 3.20 -2.28 2.98 3.41 -1.26 -5.04 113.62 114.63 3h60 n SER 177 Ca 0.00 -2.25 -0.03 0.00 -0.26 0.00 0.00 58.87 56.33 3h60 n SER 177 Cb 0.00 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 3h60 n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h60 n GLY 178 N 0.30 0.12 3.63 5.00 0.00 -1.26 -5.01 105.19 107.97 3h60 n GLY 178 Ca 0.14 -1.87 -0.46 0.00 0.00 0.00 0.00 46.02 43.83 3h60 n GLY 178 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h60 n PRO 179 N -1.26 1.68 -4.22 1.61 -0.02 -1.26 -5.02 135.00 126.50 3h60 n PRO 179 Ca 0.02 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 3h60 n PRO 179 Cb 0.07 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 3h60 n PRO 179 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h60 s LYS 180 N -0.53 0.71 0.57 -0.52 -0.14 -1.26 -4.77 119.74 113.80 3h60 s LYS 180 Ca 0.69 -0.68 -0.20 0.00 -1.36 0.00 0.00 55.97 54.42 3h60 s LYS 180 Cb -0.72 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.74 3h60 s LYS 180 CO 0.52 0.15 1.24 -0.51 -0.76 0.00 0.00 175.35 175.99 3h60 s LEU 181 N -1.15 3.75 -0.31 3.17 1.43 -1.26 -4.87 118.68 119.43 3h60 s LEU 181 Ca -0.02 2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 55.41 3h60 s LEU 181 Cb -0.08 -4.47 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 3h60 s LEU 181 CO 0.01 -1.53 0.36 -1.61 0.23 0.00 0.00 176.35 173.81 3h60 s GLU 182 N -3.14 3.74 -1.53 1.70 2.02 -0.82 -4.23 118.70 116.45 3h60 s GLU 182 Ca 0.75 -0.25 -0.14 0.00 0.02 0.00 0.00 54.97 55.35 3h60 s GLU 182 Cb -0.33 -3.74 0.08 0.00 0.10 0.00 0.00 34.13 30.24 3h60 s GLU 182 CO 0.37 -0.42 0.99 -0.25 0.02 0.00 0.00 175.26 175.97 3h60 n ASP 183 N 5.36 -4.86 -0.94 -0.19 8.00 -1.26 -1.82 116.55 120.83 3h60 n ASP 183 Ca -0.09 -0.77 -0.11 0.00 0.71 0.00 0.00 54.79 54.53 3h60 n ASP 183 Cb 0.50 -3.92 -0.04 0.00 -0.02 0.00 0.00 41.12 37.64 3h60 n ASP 183 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h60 n GLY 184 N -1.71 0.95 2.98 0.44 0.00 -1.26 -5.00 105.19 101.59 3h60 n GLY 184 Ca 0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3h60 n GLY 184 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h60 s LYS 185 N -3.29 0.24 0.42 1.61 2.36 -0.76 -5.02 119.74 115.31 3h60 s LYS 185 Ca 0.00 -0.31 -0.25 0.00 -2.55 0.00 0.00 55.97 52.86 3h60 s LYS 185 Cb 0.00 0.09 -0.08 0.00 -1.05 0.00 0.00 37.83 36.79 3h60 s LYS 185 CO 0.00 -0.04 1.22 0.08 1.55 0.00 0.00 175.35 178.16 3h60 s VAL 186 N -0.87 2.90 0.25 4.02 1.01 -1.26 -1.94 120.40 124.51 3h60 s VAL 186 Ca -0.10 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3h60 s VAL 186 Cb -0.06 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3h60 s VAL 186 CO -0.00 0.06 0.17 0.42 0.00 0.00 0.00 175.10 175.75 3h60 s THR 187 N -1.38 0.09 0.27 3.92 -4.23 -1.26 -4.83 115.64 108.22 3h60 s THR 187 Ca 0.59 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3h60 s THR 187 Cb -0.33 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.04 3h60 s THR 187 CO 0.42 0.00 1.69 -0.29 -0.54 0.00 0.00 174.62 175.89 3h60 h ILE 188 N 2.43 1.28 0.00 2.99 -0.00 -1.98 -2.39 117.51 119.84 3h60 h ILE 188 Ca -0.33 -1.37 -0.11 0.00 -0.00 0.00 0.00 64.86 63.05 3h60 h ILE 188 Cb 1.25 1.43 -0.02 0.00 -0.00 0.00 0.00 36.82 39.48 3h60 h ILE 188 CO 0.50 0.43 -0.53 0.77 -0.00 0.00 0.00 178.15 179.32 3h60 h SER 189 N 0.41 0.00 -0.49 2.19 4.64 -1.99 -1.82 113.55 116.50 3h60 h SER 189 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3h60 h SER 189 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3h60 h SER 189 CO 0.06 0.53 0.17 0.15 -0.87 0.00 0.00 176.83 176.87 3h60 h PHE 190 N 0.00 0.77 -0.65 4.77 3.57 -1.84 -1.03 116.94 122.53 3h60 h PHE 190 Ca -0.01 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3h60 h PHE 190 Cb 0.94 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3h60 h PHE 190 CO 0.00 0.66 0.35 0.52 -2.23 0.00 0.00 178.31 177.61 3h60 h MET 191 N 0.65 0.91 -0.63 1.11 2.86 -1.15 0.43 114.93 119.13 3h60 h MET 191 Ca 0.16 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3h60 h MET 191 Cb 0.23 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3h60 h MET 191 CO -0.01 0.69 0.14 0.87 1.06 0.00 0.00 176.91 179.66 3h60 h LYS 192 N 0.89 1.01 -0.38 1.72 1.57 -1.21 -0.68 116.57 119.48 3h60 h LYS 192 Ca 0.23 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3h60 h LYS 192 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3h60 h LYS 192 CO -0.04 0.93 -0.05 0.93 -0.57 0.00 0.00 179.45 180.65 3h60 h GLU 193 N 0.93 0.71 -0.35 3.15 5.08 -0.60 -2.68 114.58 120.82 3h60 h GLU 193 Ca 0.19 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3h60 h GLU 193 Cb 0.38 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3h60 h GLU 193 CO 0.01 0.84 0.05 1.25 -1.00 0.00 0.00 179.01 180.15 3h60 h LEU 194 N 0.53 -0.03 -0.52 1.33 5.85 0.06 0.25 115.31 122.77 3h60 h LEU 194 Ca 0.10 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3h60 h LEU 194 Cb 0.55 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3h60 h LEU 194 CO 0.03 0.02 0.34 0.24 -0.34 0.00 0.00 178.44 178.73 3h60 h MET 195 N 0.17 0.69 -0.29 1.25 2.86 -1.07 -0.84 114.93 117.68 3h60 h MET 195 Ca 0.17 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3h60 h MET 195 Cb 0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3h60 h MET 195 CO -0.24 0.46 0.19 0.37 1.06 0.00 0.00 176.91 178.75 3h60 h GLN 196 N 0.70 0.40 -0.47 1.72 5.75 -1.31 -0.16 115.11 121.74 3h60 h GLN 196 Ca 0.19 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 3h60 h GLN 196 Cb -0.07 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.33 3h60 h GLN 196 CO -0.04 0.29 0.10 2.35 -2.65 0.00 0.00 178.83 178.87 3h60 h TRP 197 N 0.39 0.16 -0.51 3.99 2.91 -0.61 -1.91 115.95 120.35 3h60 h TRP 197 Ca 0.11 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 60.03 3h60 h TRP 197 Cb -0.01 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3h60 h TRP 197 CO -0.05 0.01 -0.16 1.88 -1.03 0.00 0.00 178.44 179.09 3h60 h TYR 198 N 0.23 1.15 -0.76 2.65 0.05 -1.11 -0.47 116.97 118.72 3h60 h TYR 198 Ca 0.23 -0.26 0.11 0.00 0.05 0.00 0.00 58.73 58.86 3h60 h TYR 198 Cb 0.30 -0.28 -0.08 0.00 1.01 0.00 0.00 36.73 37.68 3h60 h TYR 198 CO -0.22 1.09 0.37 -0.22 -1.05 0.00 0.00 178.16 178.14 3h60 h LYS 199 N 0.88 0.58 -0.92 4.88 3.64 -0.72 0.80 116.57 125.71 3h60 h LYS 199 Ca 0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3h60 h LYS 199 Cb 0.74 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3h60 h LYS 199 CO 0.06 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.38 3h60 n ASP 200 N -4.87 1.99 -2.70 4.20 8.00 -0.74 -4.88 116.55 117.54 3h60 n ASP 200 Ca 0.13 -2.19 -0.21 0.00 0.71 0.00 0.00 54.79 53.23 3h60 n ASP 200 Cb 0.33 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3h60 n ASP 200 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h60 n GLN 201 N 0.13 -4.03 -3.41 -1.24 6.02 0.27 -5.01 117.38 110.11 3h60 n GLN 201 Ca 0.06 0.86 -0.19 0.00 -0.01 0.00 0.00 57.00 57.72 3h60 n GLN 201 Cb 0.45 -5.56 -0.01 0.00 1.02 0.00 0.00 30.24 26.14 3h60 n GLN 201 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3h60 s LYS 202 N -5.50 2.99 -0.10 -1.09 1.02 -0.21 -5.00 119.74 111.84 3h60 s LYS 202 Ca 0.23 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 3h60 s LYS 202 Cb -0.10 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 3h60 s LYS 202 CO 0.29 -0.02 -0.03 0.21 -0.92 0.00 0.00 175.35 174.88 3h60 s LYS 203 N -4.19 3.14 0.17 1.68 2.20 -1.26 -4.35 119.74 117.14 3h60 s LYS 203 Ca 0.47 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3h60 s LYS 203 Cb -0.09 -2.77 -0.08 0.00 -1.51 0.00 0.00 37.83 33.38 3h60 s LYS 203 CO 0.31 0.53 1.18 -1.17 -0.36 0.00 0.00 175.35 175.84 3h60 s LEU 204 N -0.43 4.45 0.30 5.43 2.96 -1.26 -4.96 118.68 125.17 3h60 s LEU 204 Ca 0.07 2.19 -0.29 0.00 -0.22 0.00 0.00 54.13 55.88 3h60 s LEU 204 Cb -0.12 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 3h60 s LEU 204 CO 0.02 -0.34 1.21 1.57 -1.32 0.00 0.00 176.35 177.49 3h60 n HIS 205 N 2.57 1.89 -0.07 5.38 -0.00 -1.26 -4.72 115.22 119.01 3h60 n HIS 205 Ca 0.04 0.59 0.19 0.00 -0.00 0.00 0.00 57.72 58.54 3h60 n HIS 205 Cb 0.45 -2.36 0.63 0.00 -0.00 0.00 0.00 29.99 28.71 3h60 n HIS 205 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3h60 h ARG 206 N 2.64 0.14 -0.35 1.57 0.11 -1.96 -1.40 114.38 115.13 3h60 h ARG 206 Ca -0.44 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.50 3h60 h ARG 206 Cb 1.30 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 3h60 h ARG 206 CO 0.64 0.09 -0.33 0.87 0.10 0.00 0.00 179.97 181.34 3h60 h LYS 207 N 0.15 0.78 -0.20 0.08 1.57 -1.99 0.57 116.57 117.53 3h60 h LYS 207 Ca 0.30 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3h60 h LYS 207 Cb 0.98 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3h60 h LYS 207 CO -0.04 1.00 -0.00 0.00 -0.57 0.00 0.00 179.45 179.84 3h60 h ALA 209 N 0.78 0.28 -0.34 0.00 0.00 -1.20 -1.52 119.26 117.27 3h60 h ALA 209 Ca 0.06 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3h60 h ALA 209 Cb 0.39 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3h60 h ALA 209 CO 0.01 -0.40 -0.12 -0.92 0.00 0.00 0.00 179.25 177.82 3h60 h TYR 210 N 0.10 -0.28 -0.72 0.00 3.20 -0.92 -1.33 116.97 117.03 3h60 h TYR 210 Ca 0.14 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.15 3h60 h TYR 210 Cb 0.19 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3h60 h TYR 210 CO -0.21 -0.19 0.34 1.96 -1.64 0.00 0.00 178.16 178.42 3h60 h GLN 211 N -0.05 0.55 -0.43 1.82 4.20 -0.66 -1.16 115.11 119.37 3h60 h GLN 211 Ca 0.17 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3h60 h GLN 211 Cb 0.31 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3h60 h GLN 211 CO -0.38 0.36 0.11 0.82 -0.67 0.00 0.00 178.83 179.07 3h60 h ILE 212 N 0.57 1.23 0.10 2.54 2.04 -0.95 -2.07 117.51 120.96 3h60 h ILE 212 Ca 0.36 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h60 h ILE 212 Cb 0.42 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3h60 h ILE 212 CO -0.30 0.28 -0.05 -0.07 0.00 0.00 0.00 178.15 178.02 3h60 h LEU 213 N 0.57 -0.11 -1.03 1.44 3.38 -0.84 -0.19 115.31 118.53 3h60 h LEU 213 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3h60 h LEU 213 Cb 0.31 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3h60 h LEU 213 CO 0.00 0.03 0.39 -0.37 0.09 0.00 0.00 178.44 178.58 3h60 h VAL 214 N -0.24 1.23 -0.35 1.22 -1.51 -1.27 -1.41 116.25 113.92 3h60 h VAL 214 Ca -0.01 -0.62 -0.10 0.00 -1.23 0.00 0.00 66.70 64.73 3h60 h VAL 214 Cb 0.20 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 3h60 h VAL 214 CO 0.02 0.27 -0.19 1.56 -1.23 0.00 0.00 177.57 178.00 3h60 h GLN 215 N 1.08 0.66 0.01 5.19 4.20 -1.21 -2.64 115.11 122.40 3h60 h GLN 215 Ca 0.27 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.53 3h60 h GLN 215 Cb 0.07 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3h60 h GLN 215 CO -0.04 0.81 -0.97 -0.24 -0.67 0.00 0.00 178.83 177.73 3h60 h VAL 216 N 0.59 1.64 -0.59 -0.54 3.04 -0.80 -2.09 116.25 117.51 3h60 h VAL 216 Ca 0.09 -3.15 -0.00 0.00 -1.01 0.00 0.00 66.70 62.63 3h60 h VAL 216 Cb 0.65 2.74 -0.03 0.00 -2.01 0.00 0.00 31.29 32.64 3h60 h VAL 216 CO 0.05 0.90 0.35 0.50 -1.01 0.00 0.00 177.57 178.36 3h60 h LYS 217 N 0.02 0.80 -0.41 4.17 3.64 -1.20 0.27 116.57 123.86 3h60 h LYS 217 Ca -0.03 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3h60 h LYS 217 Cb 1.68 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 3h60 h LYS 217 CO 0.13 0.58 0.07 1.49 -2.27 0.00 0.00 179.45 179.45 3h60 h GLU 218 N 0.79 0.68 0.08 1.90 4.57 -1.15 0.33 114.58 121.78 3h60 h GLU 218 Ca 0.21 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3h60 h GLU 218 Cb -0.01 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3h60 h GLU 218 CO -0.04 0.72 -0.04 0.28 -1.18 0.00 0.00 179.01 178.75 3h60 h VAL 219 N 0.53 0.94 -0.78 0.32 2.07 -0.95 -3.18 116.25 115.20 3h60 h VAL 219 Ca 0.13 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3h60 h VAL 219 Cb 0.37 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3h60 h VAL 219 CO 0.01 0.01 0.38 -0.07 0.02 0.00 0.00 177.57 177.92 3h60 h LEU 220 N -0.13 1.02 -2.01 2.57 3.38 -0.35 -2.68 115.31 117.11 3h60 h LEU 220 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3h60 h LEU 220 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3h60 h LEU 220 CO 0.02 0.86 0.00 0.77 0.09 0.00 0.00 178.44 180.18 3h60 h SER 221 N 1.10 0.00 0.83 -0.43 4.64 -0.93 -0.69 113.55 118.08 3h60 h SER 221 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3h60 h SER 221 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3h60 h SER 221 CO -0.04 0.00 -0.22 0.29 -0.87 0.00 0.00 176.83 175.99 3h60 n LYS 222 N -2.91 0.03 -2.67 4.77 4.76 -1.01 -4.95 118.16 116.18 3h60 n LYS 222 Ca -0.01 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3h60 n LYS 222 Cb 0.17 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3h60 n LYS 222 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h60 s LEU 223 N -3.15 3.67 0.53 -0.35 1.43 -0.27 -5.05 118.68 115.49 3h60 s LEU 223 Ca 0.12 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 54.04 3h60 s LEU 223 Cb 0.18 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 3h60 s LEU 223 CO 0.61 -0.54 1.11 -0.55 0.23 0.00 0.00 176.35 177.21 3h60 s SER 224 N -3.81 5.85 0.38 2.29 0.15 -1.26 -4.93 113.70 112.37 3h60 s SER 224 Ca 0.49 2.12 0.14 0.00 0.70 0.00 0.00 55.95 59.40 3h60 s SER 224 Cb -0.10 -2.58 0.98 0.00 -1.71 0.00 0.00 66.02 62.61 3h60 s SER 224 CO 0.41 -1.13 1.83 0.74 1.20 0.00 0.00 173.24 176.30 3h60 h THR 225 N 1.26 0.69 -3.46 6.45 2.02 -1.85 -3.34 112.91 114.68 3h60 h THR 225 Ca -0.50 -0.18 -0.72 0.00 0.77 0.00 0.00 66.41 65.78 3h60 h THR 225 Cb 1.25 0.13 -0.24 0.00 -1.74 0.00 0.00 68.15 67.55 3h60 h THR 225 CO 0.57 0.09 -0.44 -0.22 0.37 0.00 0.00 175.52 175.90 3h60 s LEU 226 N -9.67 5.14 -0.05 2.58 2.96 -1.26 -1.01 118.68 117.38 3h60 s LEU 226 Ca -0.09 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.33 3h60 s LEU 226 Cb 0.23 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3h60 s LEU 226 CO 0.79 -0.51 1.13 -0.69 -1.32 0.00 0.00 176.35 175.76 3h60 s VAL 227 N 1.57 4.42 -0.20 1.68 1.01 -0.60 -4.92 120.40 123.36 3h60 s VAL 227 Ca 0.03 1.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 3h60 s VAL 227 Cb -0.21 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3h60 s VAL 227 CO 0.06 0.02 -0.08 -1.61 0.00 0.00 0.00 175.10 173.50 3h60 s GLU 228 N 1.98 3.35 -0.03 2.72 2.02 -1.26 -0.38 118.70 127.09 3h60 s GLU 228 Ca 0.54 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.92 3h60 s GLU 228 Cb -0.23 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 3h60 s GLU 228 CO 0.22 -0.11 -0.16 0.99 0.02 0.00 0.00 175.26 176.23 3h60 s THR 229 N 1.21 1.28 -0.18 3.63 2.01 -0.26 -4.97 115.64 118.36 3h60 s THR 229 Ca 0.02 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 3h60 s THR 229 Cb -0.14 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 3h60 s THR 229 CO -0.03 0.37 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.34 3h60 s THR 230 N -0.06 3.60 -0.35 -0.82 2.01 -1.26 -0.90 115.64 117.86 3h60 s THR 230 Ca -0.01 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 3h60 s THR 230 Cb -0.09 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3h60 s THR 230 CO 0.01 0.47 0.15 -0.22 -0.69 0.00 0.00 174.62 174.34 3h60 s LEU 231 N 0.78 4.46 1.27 4.42 2.96 -1.26 -4.96 118.68 126.35 3h60 s LEU 231 Ca -0.02 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.69 3h60 s LEU 231 Cb -0.15 -1.95 0.31 0.00 0.50 0.00 0.00 46.19 44.91 3h60 s LEU 231 CO 0.02 -0.34 1.01 -0.54 -1.32 0.00 0.00 176.35 175.18 3h60 s LYS 232 N 1.49 -1.76 0.29 1.98 1.02 -1.26 -4.48 119.74 117.01 3h60 s LYS 232 Ca 0.01 0.30 0.12 0.00 0.02 0.00 0.00 55.97 56.42 3h60 s LYS 232 Cb -0.19 -1.50 0.40 0.00 -0.52 0.00 0.00 37.83 36.02 3h60 s LYS 232 CO 0.05 -4.15 1.63 1.05 -0.92 0.00 0.00 175.35 173.01 3h60 h GLU 233 N -2.91 0.00 -0.23 1.68 4.11 -1.97 -2.43 114.58 112.83 3h60 h GLU 233 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3h60 h GLU 233 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3h60 h GLU 233 CO 0.39 0.58 0.00 0.25 0.07 0.00 0.00 179.01 180.30 3h60 n THR 234 N -3.75 0.29 -3.55 -1.06 -2.24 -1.26 -2.97 114.28 99.73 3h60 n THR 234 Ca -0.01 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 3h60 n THR 234 Cb 0.60 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 3h60 n THR 234 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h60 s GLU 235 N -1.71 3.71 0.36 -0.78 2.02 -0.92 -4.94 118.70 116.45 3h60 s GLU 235 Ca 0.34 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.46 3h60 s GLU 235 Cb 0.19 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.59 3h60 s GLU 235 CO 0.28 0.41 0.06 -1.59 0.02 0.00 0.00 175.26 174.44 3h60 s LYS 236 N -2.66 1.76 -0.01 1.61 -2.85 -1.26 -0.50 119.74 115.83 3h60 s LYS 236 Ca 0.43 -2.00 -0.20 0.00 -1.00 0.00 0.00 55.97 53.20 3h60 s LYS 236 Cb -0.12 -1.00 0.04 0.00 -2.06 0.00 0.00 37.83 34.69 3h60 s LYS 236 CO 0.23 -0.20 0.44 -1.50 0.10 0.00 0.00 175.35 174.41 3h60 s ILE 237 N -3.17 0.04 -0.17 3.79 2.07 -0.14 -4.37 121.20 119.26 3h60 s ILE 237 Ca 0.33 -0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3h60 s ILE 237 Cb 0.08 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 3h60 s ILE 237 CO 0.15 -0.18 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.04 3h60 s THR 238 N -1.60 3.41 -0.22 4.00 2.01 -0.81 -1.30 115.64 121.14 3h60 s THR 238 Ca -0.11 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 3h60 s THR 238 Cb -0.03 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3h60 s THR 238 CO 0.04 0.48 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.75 3h60 s VAL 239 N 0.74 3.74 0.12 3.82 1.01 0.46 -0.28 120.40 130.00 3h60 s VAL 239 Ca -0.03 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3h60 s VAL 239 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3h60 s VAL 239 CO 0.02 0.41 0.05 0.00 0.00 0.00 0.00 175.10 175.57 3h60 n GLY 241 N 0.22 2.32 3.71 0.00 0.00 -1.26 -0.29 105.19 109.88 3h60 n GLY 241 Ca -0.10 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3h60 n GLY 241 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h60 n ASP 242 N 0.00 2.86 -0.00 1.61 9.92 -1.25 -4.17 116.55 125.51 3h60 n ASP 242 Ca 0.00 1.19 -0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3h60 n ASP 242 Cb 0.00 -1.50 -0.00 0.00 -0.64 0.00 0.00 41.12 38.97 3h60 n ASP 242 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3h60 n THR 243 N 0.26 0.01 -4.03 -3.53 -2.24 -0.49 -1.51 114.28 102.75 3h60 n THR 243 Ca 0.05 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 3h60 n THR 243 Cb 0.37 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 3h60 n THR 243 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3h60 n HIS 244 N -1.92 -1.54 -0.97 4.78 8.25 0.25 -1.86 115.22 122.22 3h60 n HIS 244 Ca -0.00 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3h60 n HIS 244 Cb 0.42 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.28 3h60 n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h60 n GLY 245 N -2.12 0.24 2.89 -1.41 0.00 -0.09 -1.34 105.19 103.36 3h60 n GLY 245 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3h60 n GLY 245 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h60 n GLN 246 N -0.87 3.15 -0.33 1.61 6.02 -0.77 -1.60 117.38 124.59 3h60 n GLN 246 Ca 0.00 -3.01 0.04 0.00 -0.01 0.00 0.00 57.00 54.02 3h60 n GLN 246 Cb 0.25 -3.18 0.23 0.00 1.02 0.00 0.00 30.24 28.56 3h60 n GLN 246 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3h60 h PHE 247 N 6.12 1.09 0.00 1.08 3.57 -1.88 -0.65 116.94 126.28 3h60 h PHE 247 Ca 0.49 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.92 3h60 h PHE 247 Cb 0.67 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3h60 h PHE 247 CO 1.37 0.54 -0.48 1.88 -2.23 0.00 0.00 178.31 179.39 3h60 h TYR 248 N 1.05 0.00 -0.04 0.41 -1.99 -1.91 -1.30 116.97 113.20 3h60 h TYR 248 Ca 0.42 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.96 3h60 h TYR 248 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 3h60 h TYR 248 CO -0.00 0.48 -0.79 -0.44 -0.00 0.00 0.00 178.16 177.41 3h60 h ASP 249 N 0.00 0.40 -0.29 3.88 3.32 -1.64 -1.97 116.42 120.13 3h60 h ASP 249 Ca -0.00 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3h60 h ASP 249 Cb 1.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3h60 h ASP 249 CO 0.06 1.04 0.17 0.25 -1.72 0.00 0.00 179.24 179.04 3h60 h LEU 250 N 0.21 0.27 -0.74 1.55 5.85 -0.72 -0.64 115.31 121.09 3h60 h LEU 250 Ca -0.04 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3h60 h LEU 250 Cb 1.38 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3h60 h LEU 250 CO 0.13 0.20 0.44 -0.07 -0.34 0.00 0.00 178.44 178.80 3h60 h LEU 251 N 0.35 0.68 -1.03 2.25 3.38 -1.20 -2.46 115.31 117.28 3h60 h LEU 251 Ca 0.11 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3h60 h LEU 251 Cb -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3h60 h LEU 251 CO -0.05 0.44 0.65 -1.13 0.09 0.00 0.00 178.44 178.44 3h60 h ASN 252 N 0.81 1.10 -0.41 -0.43 -1.24 -0.73 -0.90 115.58 113.78 3h60 h ASN 252 Ca 0.32 -0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.38 3h60 h ASN 252 Cb 0.15 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 38.89 3h60 h ASN 252 CO -0.16 0.76 0.08 0.40 -1.29 0.00 0.00 177.43 177.21 3h60 h ILE 253 N 1.27 0.78 0.00 2.57 2.04 -0.70 0.75 117.51 124.22 3h60 h ILE 253 Ca 0.39 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 66.09 3h60 h ILE 253 Cb -0.02 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3h60 h ILE 253 CO -0.12 0.04 -0.44 -0.26 0.00 0.00 0.00 178.15 177.37 3h60 h PHE 254 N 0.20 0.00 -0.53 1.37 0.04 -0.99 0.76 116.94 117.80 3h60 h PHE 254 Ca 0.20 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 3h60 h PHE 254 Cb 0.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3h60 h PHE 254 CO -0.21 0.44 -0.11 0.93 -0.60 0.00 0.00 178.31 178.76 3h60 h GLU 255 N 0.00 1.00 -0.02 1.51 5.08 -0.40 0.10 114.58 121.85 3h60 h GLU 255 Ca -0.00 -0.37 -0.25 0.00 -1.00 0.00 0.00 59.36 57.74 3h60 h GLU 255 Cb 0.84 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.03 3h60 h GLU 255 CO 0.06 1.05 -0.97 -0.07 -1.00 0.00 0.00 179.01 178.07 3h60 h LEU 256 N 0.89 0.79 -0.65 1.33 3.38 -0.32 -3.35 115.31 117.37 3h60 h LEU 256 Ca 0.14 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3h60 h LEU 256 Cb 0.67 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3h60 h LEU 256 CO 0.05 1.41 -0.10 -3.20 0.09 0.00 0.00 178.44 176.69 3h60 n ASN 257 N -3.83 0.89 0.00 -0.43 5.15 0.21 -5.10 115.26 112.15 3h60 n ASN 257 Ca -0.09 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 3h60 n ASN 257 Cb 0.85 0.46 0.00 0.00 -0.53 0.00 0.00 39.78 40.56 3h60 n ASN 257 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h60 n GLY 258 N 0.68 1.07 3.73 8.20 0.00 0.02 -4.99 105.19 113.90 3h60 n GLY 258 Ca 0.02 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3h60 n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h60 s LEU 259 N -0.62 3.44 0.36 0.99 1.43 -1.22 -4.57 118.68 118.48 3h60 s LEU 259 Ca 0.00 2.49 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 3h60 s LEU 259 Cb 0.00 -4.60 -0.12 0.00 0.03 0.00 0.00 46.19 41.49 3h60 s LEU 259 CO 0.00 -2.14 0.98 -2.65 0.23 0.00 0.00 176.35 172.77 3h60 n PRO 260 N -2.32 1.32 -3.83 1.29 -0.02 -1.26 -4.77 135.00 125.41 3h60 n PRO 260 Ca 0.15 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3h60 n PRO 260 Cb 0.49 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3h60 n PRO 260 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h60 s SER 261 N -0.65 -0.06 0.65 2.55 1.04 -1.10 -4.91 113.70 111.21 3h60 s SER 261 Ca 0.61 -0.82 0.41 0.00 0.48 0.00 0.00 55.95 56.63 3h60 s SER 261 Cb -0.63 0.67 2.27 0.00 0.10 0.00 0.00 66.02 68.44 3h60 s SER 261 CO 0.59 -1.31 2.34 -0.33 0.98 0.00 0.00 173.24 175.51 3h60 h GLU 262 N 2.00 0.00 -0.12 4.02 3.07 -1.95 -1.32 114.58 120.29 3h60 h GLU 262 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3h60 h GLU 262 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3h60 h GLU 262 CO 0.35 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.21 3h60 n THR 263 N -3.27 0.19 -3.18 1.13 -2.24 -1.26 -4.59 114.28 101.06 3h60 n THR 263 Ca -0.03 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 3h60 n THR 263 Cb 0.08 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 3h60 n THR 263 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h60 n ASN 264 N 0.95 1.75 -4.73 3.42 4.05 -0.50 -4.81 115.26 115.39 3h60 n ASN 264 Ca 0.11 -3.11 -0.35 0.00 0.45 0.00 0.00 54.58 51.68 3h60 n ASN 264 Cb 0.44 -0.62 0.07 0.00 1.23 0.00 0.00 39.78 40.90 3h60 n ASN 264 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3h60 s PRO 265 N -2.27 2.44 0.09 1.20 0.05 -1.18 -2.72 135.00 132.61 3h60 s PRO 265 Ca 0.40 1.80 0.06 0.00 0.05 0.00 0.00 61.00 63.31 3h60 s PRO 265 Cb 0.26 -1.87 -0.03 0.00 0.05 0.00 0.00 34.50 32.91 3h60 s PRO 265 CO -0.09 -1.61 -0.15 0.71 0.05 0.00 0.00 177.00 175.91 3h60 s TYR 266 N -1.82 1.36 -0.14 0.56 1.51 -0.47 -1.92 117.35 116.43 3h60 s TYR 266 Ca 0.76 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.35 3h60 s TYR 266 Cb -0.30 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3h60 s TYR 266 CO 0.41 0.11 -0.16 0.42 -1.11 0.00 0.00 175.55 175.22 3h60 s ILE 267 N -1.52 1.65 -0.22 2.71 1.01 0.61 -0.73 121.20 124.73 3h60 s ILE 267 Ca 0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3h60 s ILE 267 Cb -0.08 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3h60 s ILE 267 CO 0.03 0.47 0.03 -0.36 0.00 0.00 0.00 174.94 175.11 3h60 s PHE 268 N 1.26 3.08 -1.06 3.97 0.40 0.75 -0.56 117.98 125.82 3h60 s PHE 268 Ca 0.01 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 3h60 s PHE 268 Cb -0.14 -2.14 0.24 0.00 0.51 0.00 0.00 43.02 41.49 3h60 s PHE 268 CO -0.08 -0.23 2.11 -1.71 0.70 0.00 0.00 175.22 176.02 3h60 n ASN 269 N 4.39 7.55 -0.41 1.36 5.15 0.60 -1.75 115.26 132.14 3h60 n ASN 269 Ca -0.17 -3.49 0.05 0.00 -0.60 0.00 0.00 54.58 50.38 3h60 n ASN 269 Cb 0.52 -1.23 -0.02 0.00 -0.53 0.00 0.00 39.78 38.52 3h60 n ASN 269 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h60 n GLY 270 N 0.56 -1.75 3.60 8.20 0.00 -0.64 -4.43 105.19 110.72 3h60 n GLY 270 Ca 0.53 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 3h60 n GLY 270 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h60 n ASP 271 N -2.40 -3.41 0.11 1.61 9.92 -1.26 -3.95 116.55 117.17 3h60 n ASP 271 Ca -0.00 -0.85 -0.02 0.00 -0.53 0.00 0.00 54.79 53.40 3h60 n ASP 271 Cb 0.19 -4.14 0.02 0.00 -0.64 0.00 0.00 41.12 36.55 3h60 n ASP 271 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 3h60 h PHE 272 N -1.72 0.00 -1.24 1.24 0.04 -1.93 0.11 116.94 113.44 3h60 h PHE 272 Ca -0.62 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.51 3h60 h PHE 272 Cb 1.35 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.37 3h60 h PHE 272 CO 0.40 0.71 -0.53 0.14 -0.60 0.00 0.00 178.31 178.42 3h60 s VAL 273 N -3.01 1.12 0.00 -0.55 -7.23 -1.26 -0.91 120.40 108.56 3h60 s VAL 273 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3h60 s VAL 273 Cb 0.10 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.69 3h60 s VAL 273 CO 0.77 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 176.03 3h60 n ASP 274 N -1.21 0.00 0.00 4.85 8.00 -1.26 -4.56 116.55 122.37 3h60 n ASP 274 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3h60 n ASP 274 Cb 0.66 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 3h60 n ASP 274 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h60 n ARG 275 N -1.30 0.00 -2.28 -1.24 1.74 0.36 -4.21 116.66 109.73 3h60 n ARG 275 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3h60 n ARG 275 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3h60 n ARG 275 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h60 s GLY 276 N 0.00 2.47 -0.14 -0.13 0.00 -0.45 -0.54 107.32 108.54 3h60 s GLY 276 Ca 0.00 0.66 0.16 0.00 0.00 0.00 0.00 44.72 45.55 3h60 s GLY 276 CO 0.00 1.00 1.61 1.44 0.00 0.00 0.00 173.10 177.15 3h60 n SER 277 N -1.40 4.79 -1.86 1.64 7.64 -1.25 -3.73 113.62 119.46 3h60 n SER 277 Ca 0.10 -2.53 -0.17 0.00 1.01 0.00 0.00 58.87 57.28 3h60 n SER 277 Cb 0.52 -0.59 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 3h60 n SER 277 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h60 n PHE 278 N 0.97 2.20 -0.22 1.43 3.72 -0.63 -4.85 117.46 120.08 3h60 n PHE 278 Ca 0.25 -2.08 -0.07 0.00 -0.05 0.00 0.00 57.45 55.49 3h60 n PHE 278 Cb 0.93 -0.32 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 3h60 n PHE 278 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3h60 h SER 279 N 2.02 0.85 -0.58 4.37 0.02 -1.64 -0.87 113.55 117.72 3h60 h SER 279 Ca 0.27 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3h60 h SER 279 Cb 1.45 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 3h60 h SER 279 CO 0.60 0.80 0.37 0.58 -1.14 0.00 0.00 176.83 178.03 3h60 h VAL 280 N 0.86 1.16 -0.20 2.27 2.07 -1.92 0.29 116.25 120.78 3h60 h VAL 280 Ca 0.20 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3h60 h VAL 280 Cb 0.22 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3h60 h VAL 280 CO -0.02 0.16 0.13 -0.33 0.02 0.00 0.00 177.57 177.53 3h60 h GLU 281 N 0.78 0.25 0.21 1.57 3.07 -1.89 -2.22 114.58 116.35 3h60 h GLU 281 Ca 0.21 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3h60 h GLU 281 Cb -0.05 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 3h60 h GLU 281 CO -0.04 0.17 -0.20 0.28 -1.40 0.00 0.00 179.01 177.81 3h60 h VAL 282 N 0.26 0.56 -0.51 3.13 2.07 -0.81 -2.24 116.25 118.71 3h60 h VAL 282 Ca 0.07 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 3h60 h VAL 282 Cb -0.03 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3h60 h VAL 282 CO -0.02 0.00 -0.11 -0.29 0.02 0.00 0.00 177.57 177.17 3h60 h ILE 283 N -0.44 1.27 0.00 4.57 6.09 -0.89 -1.63 117.51 126.48 3h60 h ILE 283 Ca -0.00 -1.25 -0.11 0.00 -1.37 0.00 0.00 64.86 62.13 3h60 h ILE 283 Cb 0.41 0.99 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 3h60 h ILE 283 CO -0.05 0.44 -0.55 -0.07 -3.07 0.00 0.00 178.15 174.85 3h60 h LEU 284 N 0.85 0.00 -0.29 2.19 3.38 -1.45 -0.25 115.31 119.74 3h60 h LEU 284 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3h60 h LEU 284 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3h60 h LEU 284 CO 0.05 0.55 -0.18 0.74 0.09 0.00 0.00 178.44 179.68 3h60 h THR 285 N 0.00 1.30 -0.53 0.22 2.02 -1.09 -0.92 112.91 113.90 3h60 h THR 285 Ca -0.01 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 3h60 h THR 285 Cb 1.19 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 3h60 h THR 285 CO 0.07 0.41 0.27 -0.07 0.37 0.00 0.00 175.52 176.57 3h60 h LEU 286 N 0.37 0.69 -0.47 2.58 3.38 -1.14 -1.61 115.31 119.11 3h60 h LEU 286 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3h60 h LEU 286 Cb 0.71 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3h60 h LEU 286 CO 0.05 0.61 -0.01 -0.26 0.09 0.00 0.00 178.44 178.92 3h60 h PHE 287 N 0.71 0.91 -0.74 1.13 0.04 -1.04 -1.10 116.94 116.85 3h60 h PHE 287 Ca 0.18 -0.16 0.09 0.00 2.80 0.00 0.00 57.97 60.89 3h60 h PHE 287 Cb 0.10 -0.24 -0.12 0.00 2.20 0.00 0.00 35.95 37.89 3h60 h PHE 287 CO -0.01 0.88 -0.48 0.78 -0.60 0.00 0.00 178.31 178.88 3h60 h GLY 288 N 0.69 -0.54 1.37 -1.45 0.00 -0.95 -0.73 103.07 101.45 3h60 h GLY 288 Ca 0.13 0.64 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 3h60 h GLY 288 CO 0.03 -0.11 0.15 0.74 0.00 0.00 0.00 176.54 177.35 3h60 h PHE 289 N -0.15 0.81 -0.48 5.60 0.04 -1.11 -1.36 116.94 120.30 3h60 h PHE 289 Ca 0.19 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.90 3h60 h PHE 289 Cb 0.53 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3h60 h PHE 289 CO -0.83 0.67 0.31 -0.22 -0.60 0.00 0.00 178.31 177.65 3h60 h LYS 290 N 0.77 0.62 -0.78 1.51 1.63 -0.70 0.14 116.57 119.76 3h60 h LYS 290 Ca 0.18 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 3h60 h LYS 290 Cb 0.25 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 3h60 h LYS 290 CO -0.01 0.41 0.42 -0.07 -3.45 0.00 0.00 179.45 176.75 3h60 h LEU 291 N 0.64 0.98 -0.15 5.20 3.38 -0.82 -2.54 115.31 122.00 3h60 h LEU 291 Ca 0.18 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 3h60 h LEU 291 Cb -0.06 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.45 3h60 h LEU 291 CO -0.04 0.79 -0.83 0.25 0.09 0.00 0.00 178.44 178.70 3h60 h LEU 292 N 1.10 0.89 -5.94 1.67 5.85 -0.73 -3.38 115.31 114.76 3h60 h LEU 292 Ca 0.28 -0.61 -0.57 0.00 0.84 0.00 0.00 57.88 57.81 3h60 h LEU 292 Cb 0.04 -0.26 -0.41 0.00 0.37 0.00 0.00 40.66 40.40 3h60 h LEU 292 CO -0.04 1.41 -0.83 -1.22 -0.34 0.00 0.00 178.44 177.42 3h60 n TYR 293 N -3.91 2.16 0.25 1.25 4.01 0.44 -4.97 117.16 116.38 3h60 n TYR 293 Ca -0.08 -3.92 0.08 0.00 -0.16 0.00 0.00 57.90 53.83 3h60 n TYR 293 Cb 0.77 -0.47 0.64 0.00 -0.31 0.00 0.00 39.34 39.97 3h60 n TYR 293 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3h60 h PRO 294 N 3.74 0.00 -0.02 -0.72 0.13 -1.65 -0.01 132.00 133.49 3h60 h PRO 294 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3h60 h PRO 294 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3h60 h PRO 294 CO 0.69 0.07 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.12 3h60 n ASP 295 N -4.30 1.85 0.00 1.44 8.00 -1.26 -4.26 116.55 118.02 3h60 n ASP 295 Ca -0.03 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3h60 n ASP 295 Cb 0.15 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3h60 n ASP 295 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3h60 n HIS 296 N 0.23 0.00 -3.69 1.24 8.25 -0.18 -4.98 115.22 116.09 3h60 n HIS 296 Ca 0.14 -0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.31 3h60 n HIS 296 Cb 0.44 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.37 3h60 n HIS 296 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3h60 s PHE 297 N -0.07 0.56 -0.09 4.41 5.36 -0.27 -1.37 117.98 126.51 3h60 s PHE 297 Ca 0.00 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 3h60 s PHE 297 Cb 0.00 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.86 3h60 s PHE 297 CO 0.00 -0.47 -0.21 -1.01 -1.46 0.00 0.00 175.22 172.07 3h60 s HIS 298 N 2.01 2.60 -0.09 10.12 3.76 0.09 -4.70 115.29 129.08 3h60 s HIS 298 Ca 0.02 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.20 3h60 s HIS 298 Cb -0.15 -1.70 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 3h60 s HIS 298 CO -0.07 -0.25 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.82 3h60 s LEU 299 N 0.09 2.05 0.10 0.89 1.43 -1.26 -0.18 118.68 121.80 3h60 s LEU 299 Ca -0.10 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3h60 s LEU 299 Cb -0.16 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3h60 s LEU 299 CO 0.06 0.17 -0.09 -0.76 0.23 0.00 0.00 176.35 175.96 3h60 s LEU 300 N 0.26 3.08 0.25 1.79 1.43 -0.72 -4.20 118.68 120.56 3h60 s LEU 300 Ca -0.15 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 3h60 s LEU 300 Cb -0.17 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3h60 s LEU 300 CO 0.07 0.19 1.19 -0.60 0.23 0.00 0.00 176.35 177.43 3h60 s ARG 301 N -2.15 4.51 0.49 1.70 3.52 -0.51 -1.62 118.95 124.88 3h60 s ARG 301 Ca 0.21 1.93 0.07 0.00 -0.13 0.00 0.00 55.73 57.81 3h60 s ARG 301 Cb -0.11 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 3h60 s ARG 301 CO 0.14 -0.01 0.37 0.20 -0.81 0.00 0.00 175.30 175.18 3h60 s GLY 302 N -0.33 2.28 0.53 8.12 0.00 -1.26 -4.36 107.32 112.30 3h60 s GLY 302 Ca 0.49 -1.61 0.34 0.00 0.00 0.00 0.00 44.72 43.95 3h60 s GLY 302 CO 0.41 -1.86 2.01 3.45 0.00 0.00 0.00 173.10 177.11 3h60 h ASN 303 N 0.93 0.00 -0.13 1.64 -1.07 -1.95 -2.49 115.58 112.51 3h60 h ASN 303 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 3h60 h ASN 303 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 3h60 h ASN 303 CO 0.59 0.00 0.00 1.41 0.07 0.00 0.00 177.43 179.50 3h60 n HIS 304 N -2.95 0.17 -2.09 4.14 8.25 -1.26 -3.88 115.22 117.60 3h60 n HIS 304 Ca 0.00 -0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 3h60 n HIS 304 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.37 3h60 n HIS 304 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3h60 n GLU 305 N 0.24 3.62 -4.01 -0.41 4.71 -0.94 -4.61 120.64 119.24 3h60 n GLU 305 Ca 0.17 -3.73 -0.09 0.00 -0.01 0.00 0.00 57.16 53.50 3h60 n GLU 305 Cb 0.32 -2.34 -0.11 0.00 -1.01 0.00 0.00 31.44 28.31 3h60 n GLU 305 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3h60 s THR 306 N -4.33 0.16 0.09 2.62 -4.23 -1.25 -4.73 115.64 103.97 3h60 s THR 306 Ca 0.49 -1.14 -0.24 0.00 -1.18 0.00 0.00 61.69 59.62 3h60 s THR 306 Cb 0.35 -0.58 -0.16 0.00 1.34 0.00 0.00 72.50 73.45 3h60 s THR 306 CO -0.29 -0.62 1.72 0.44 -0.54 0.00 0.00 174.62 175.33 3h60 h ASP 307 N 4.27 -0.11 -0.56 3.99 3.32 -1.92 -1.54 116.42 123.88 3h60 h ASP 307 Ca -0.33 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.82 3h60 h ASP 307 Cb 1.19 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 3h60 h ASP 307 CO 0.47 -0.07 -0.32 0.78 -1.72 0.00 0.00 179.24 178.38 3h60 h ASN 308 N -0.13 -1.11 -0.38 6.45 2.35 -1.98 -0.90 115.58 119.86 3h60 h ASN 308 Ca -0.01 0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3h60 h ASN 308 Cb 0.10 0.55 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 3h60 h ASN 308 CO 0.02 -0.30 0.08 0.24 -1.65 0.00 0.00 177.43 175.82 3h60 h MET 309 N -0.17 0.62 -0.09 0.81 2.86 -1.84 -3.20 114.93 113.92 3h60 h MET 309 Ca 0.23 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3h60 h MET 309 Cb 0.54 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3h60 h MET 309 CO -0.65 0.66 -0.04 -0.91 1.06 0.00 0.00 176.91 177.03 3h60 h ASN 310 N 0.47 0.11 0.37 1.22 -0.26 -0.57 -0.11 115.58 116.82 3h60 h ASN 310 Ca 0.12 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.70 3h60 h ASN 310 Cb 0.33 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 3h60 h ASN 310 CO 0.00 0.18 -0.63 1.56 -1.06 0.00 0.00 177.43 177.48 3h60 h GLN 311 N 0.12 0.24 0.11 0.81 1.08 -1.19 -2.35 115.11 113.95 3h60 h GLN 311 Ca 0.03 -0.17 -0.36 0.00 -1.45 0.00 0.00 58.65 56.69 3h60 h GLN 311 Cb 0.16 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3h60 h GLN 311 CO 0.01 0.79 -1.99 -0.89 -0.95 0.00 0.00 178.83 175.80 3h60 n ILE 312 N -3.86 1.76 -0.57 2.54 5.41 -0.89 -4.63 119.36 119.12 3h60 n ILE 312 Ca -0.02 -0.67 0.09 0.00 1.00 0.00 0.00 62.75 63.15 3h60 n ILE 312 Cb 0.63 -1.67 0.32 0.00 -0.71 0.00 0.00 39.64 38.21 3h60 n ILE 312 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3h60 n TYR 313 N -3.44 1.24 0.00 1.39 4.01 -0.10 -4.78 117.16 115.48 3h60 n TYR 313 Ca -0.31 -0.61 0.00 0.00 -0.16 0.00 0.00 57.90 56.82 3h60 n TYR 313 Cb 1.05 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 3h60 n TYR 313 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h60 n GLY 314 N 0.95 1.33 0.15 2.72 0.00 -1.24 -0.49 105.19 108.61 3h60 n GLY 314 Ca 0.23 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3h60 n GLY 314 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h60 h PHE 315 N 0.00 0.45 -0.39 1.61 3.57 -1.88 0.13 116.94 120.43 3h60 h PHE 315 Ca 0.00 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.42 3h60 h PHE 315 Cb 0.00 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3h60 h PHE 315 CO 0.00 0.65 0.23 1.49 -2.23 0.00 0.00 178.31 178.45 3h60 h GLU 316 N 0.13 0.46 -0.54 1.11 4.81 -1.76 -0.67 114.58 118.11 3h60 h GLU 316 Ca 0.05 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3h60 h GLU 316 Cb 0.50 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 3h60 h GLU 316 CO 0.02 0.30 0.11 0.78 -0.73 0.00 0.00 179.01 179.49 3h60 h GLY 317 N 0.47 0.67 0.92 1.92 0.00 -1.68 -0.24 103.07 105.13 3h60 h GLY 317 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3h60 h GLY 317 CO -0.07 -0.09 0.08 -2.09 0.00 0.00 0.00 176.54 174.38 3h60 h GLU 318 N 0.24 0.56 -0.59 4.80 4.81 -0.35 -1.20 114.58 122.85 3h60 h GLU 318 Ca 0.28 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3h60 h GLU 318 Cb 0.39 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3h60 h GLU 318 CO -0.36 0.62 0.26 0.28 -0.73 0.00 0.00 179.01 179.07 3h60 h VAL 319 N 0.41 1.22 -0.63 0.32 2.07 -0.96 -0.80 116.25 117.89 3h60 h VAL 319 Ca 0.11 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3h60 h VAL 319 Cb 0.31 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3h60 h VAL 319 CO 0.00 0.26 0.11 0.11 0.02 0.00 0.00 177.57 178.06 3h60 h LYS 320 N 0.81 1.02 -0.58 1.57 1.57 -0.97 0.59 116.57 120.58 3h60 h LYS 320 Ca 0.20 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3h60 h LYS 320 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3h60 h LYS 320 CO -0.02 0.93 0.06 0.00 -0.57 0.00 0.00 179.45 179.85 3h60 h ALA 321 N 1.15 0.77 0.00 3.86 0.00 -0.99 -3.31 119.26 120.75 3h60 h ALA 321 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3h60 h ALA 321 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3h60 h ALA 321 CO 0.01 0.55 -1.33 1.63 0.00 0.00 0.00 179.25 180.10 3h60 n LYS 322 N -4.29 0.62 0.00 0.00 5.02 -0.32 -4.97 118.16 114.22 3h60 n LYS 322 Ca 0.03 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3h60 n LYS 322 Cb 0.30 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3h60 n LYS 322 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3h60 n TYR 323 N -2.80 0.00 -3.98 2.13 4.01 0.20 -5.05 117.16 111.68 3h60 n TYR 323 Ca -0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.55 3h60 n TYR 323 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.76 3h60 n TYR 323 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3h60 s THR 324 N 2.10 0.00 0.32 -0.72 -4.23 -1.16 -4.82 115.64 107.13 3h60 s THR 324 Ca 0.00 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3h60 s THR 324 Cb 0.00 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.42 3h60 s THR 324 CO 0.00 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.96 3h60 h ALA 325 N 2.10 1.35 -0.36 3.99 0.00 -1.86 -2.44 119.26 122.04 3h60 h ALA 325 Ca -0.28 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.49 3h60 h ALA 325 Cb 1.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3h60 h ALA 325 CO 0.38 0.46 0.09 0.37 0.00 0.00 0.00 179.25 180.55 3h60 h GLN 326 N 0.63 0.21 -0.82 0.00 4.15 -1.97 -0.92 115.11 116.39 3h60 h GLN 326 Ca 0.14 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.59 3h60 h GLN 326 Cb 0.27 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3h60 h GLN 326 CO 0.00 0.14 0.52 1.98 -1.93 0.00 0.00 178.83 179.54 3h60 h MET 327 N 0.21 0.98 -0.59 1.69 4.05 -1.87 -1.52 114.93 117.87 3h60 h MET 327 Ca 0.17 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3h60 h MET 327 Cb 0.18 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3h60 h MET 327 CO -0.21 0.65 0.37 -0.92 0.23 0.00 0.00 176.91 177.03 3h60 h TYR 328 N 1.01 0.76 -0.62 1.39 3.20 -0.88 -1.58 116.97 120.26 3h60 h TYR 328 Ca 0.33 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 3h60 h TYR 328 Cb 0.03 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3h60 h TYR 328 CO -0.03 0.50 0.15 0.93 -1.64 0.00 0.00 178.16 178.08 3h60 h GLU 329 N 0.80 0.96 -0.32 1.82 4.39 -0.77 -0.63 114.58 120.84 3h60 h GLU 329 Ca 0.21 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3h60 h GLU 329 Cb -0.05 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3h60 h GLU 329 CO -0.04 0.85 0.19 1.25 -1.16 0.00 0.00 179.01 180.10 3h60 h LEU 330 N 0.92 0.38 -0.79 1.33 5.85 -0.63 -2.37 115.31 119.99 3h60 h LEU 330 Ca 0.20 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.96 3h60 h LEU 330 Cb 0.32 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3h60 h LEU 330 CO -0.00 0.33 0.43 -0.26 -0.34 0.00 0.00 178.44 178.60 3h60 h PHE 331 N 0.40 0.78 -0.25 1.25 0.04 -0.89 -1.01 116.94 117.26 3h60 h PHE 331 Ca 0.11 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3h60 h PHE 331 Cb 0.02 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 3h60 h PHE 331 CO -0.04 0.29 -0.02 1.03 -0.60 0.00 0.00 178.31 178.97 3h60 h SER 332 N 0.71 -0.14 -0.42 2.17 0.87 -0.90 -1.62 113.55 114.22 3h60 h SER 332 Ca 0.39 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.95 3h60 h SER 332 Cb 0.40 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3h60 h SER 332 CO -0.27 -0.04 0.06 -0.33 -0.53 0.00 0.00 176.83 175.72 3h60 h GLU 333 N 0.05 0.79 -0.41 2.24 5.08 -1.07 -2.43 114.58 118.83 3h60 h GLU 333 Ca 0.12 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3h60 h GLU 333 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3h60 h GLU 333 CO -0.22 0.76 -0.04 0.28 -1.00 0.00 0.00 179.01 178.79 3h60 h VAL 334 N 0.75 1.27 -0.84 3.13 2.07 -0.99 -3.16 116.25 118.47 3h60 h VAL 334 Ca 0.16 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.73 3h60 h VAL 334 Cb 0.37 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3h60 h VAL 334 CO 0.01 0.37 0.55 -0.26 0.02 0.00 0.00 177.57 178.25 3h60 h PHE 335 N 0.58 0.69 -0.14 1.57 0.04 -1.07 -1.69 116.94 116.92 3h60 h PHE 335 Ca 0.11 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.94 3h60 h PHE 335 Cb 0.54 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3h60 h PHE 335 CO 0.04 0.26 0.12 0.93 -0.60 0.00 0.00 178.31 179.06 3h60 h GLU 336 N 0.59 0.00 -0.01 1.51 5.08 -1.40 -2.14 114.58 118.21 3h60 h GLU 336 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3h60 h GLU 336 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3h60 h GLU 336 CO -0.17 0.00 -0.20 0.91 -1.00 0.00 0.00 179.01 178.55 3h60 n TRP 337 N -4.27 0.00 -1.82 4.33 7.02 -0.64 -3.52 117.44 118.55 3h60 n TRP 337 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 3h60 n TRP 337 Cb 0.24 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 28.95 3h60 n TRP 337 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3h60 s LEU 338 N -2.50 4.37 0.84 -0.99 1.43 -0.81 -4.52 118.68 116.51 3h60 s LEU 338 Ca 0.26 2.78 -0.13 0.00 -1.03 0.00 0.00 54.13 56.01 3h60 s LEU 338 Cb 0.20 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.87 3h60 s LEU 338 CO 0.50 -0.90 0.84 -0.81 0.23 0.00 0.00 176.35 176.21 3h60 n PRO 339 N 3.70 -0.01 0.00 1.29 -0.04 -1.26 -4.55 135.00 134.13 3h60 n PRO 339 Ca 0.14 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 3h60 n PRO 339 Cb 0.37 -2.14 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 3h60 n PRO 339 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3h60 n LEU 340 N -2.24 0.11 -3.74 1.53 4.77 -0.18 -1.42 117.00 115.83 3h60 n LEU 340 Ca 0.11 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3h60 n LEU 340 Cb 0.51 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3h60 n LEU 340 CO 0.49 -0.02 0.23 0.00 -1.33 0.00 0.00 177.39 176.76 3h60 s ALA 341 N -3.50 -0.86 -0.02 -1.18 0.00 -1.08 -4.43 121.76 110.69 3h60 s ALA 341 Ca -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3h60 s ALA 341 Cb 0.13 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3h60 s ALA 341 CO 0.89 -0.77 0.04 -1.14 0.00 0.00 0.00 175.76 174.78 3h60 s GLN 342 N -3.87 -0.00 -0.18 0.00 0.74 0.31 -1.55 119.66 115.11 3h60 s GLN 342 Ca 0.09 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.64 3h60 s GLN 342 Cb -0.00 -0.14 0.01 0.00 1.10 0.00 0.00 33.01 33.97 3h60 s GLN 342 CO -0.04 -0.10 -0.16 0.00 -0.55 0.00 0.00 175.29 174.44 3h60 s ILE 344 N 1.13 5.25 -1.52 0.00 -1.09 -0.24 -1.11 121.20 123.62 3h60 s ILE 344 Ca 0.01 0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 3h60 s ILE 344 Cb -0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3h60 s ILE 344 CO -0.06 0.16 0.11 0.59 -1.23 0.00 0.00 174.94 174.51 3h60 n ASN 345 N 5.19 -5.27 -1.69 3.58 4.13 -0.08 -1.37 115.26 119.75 3h60 n ASN 345 Ca -0.11 -0.01 -0.15 0.00 1.68 0.00 0.00 54.58 55.98 3h60 n ASN 345 Cb 0.51 -4.38 -0.05 0.00 -1.54 0.00 0.00 39.78 34.32 3h60 n ASN 345 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h60 n GLY 346 N -1.04 0.92 0.13 7.41 0.00 -1.26 -4.80 105.19 106.54 3h60 n GLY 346 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3h60 n GLY 346 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h60 n LYS 347 N -2.22 0.00 -4.46 1.61 4.76 -0.47 -4.45 118.16 112.94 3h60 n LYS 347 Ca -0.16 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 3h60 n LYS 347 Cb 0.53 -0.84 -0.15 0.00 -1.84 0.00 0.00 35.03 32.73 3h60 n LYS 347 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h60 s VAL 348 N -1.81 2.97 -0.18 -0.18 1.01 -0.91 0.16 120.40 121.47 3h60 s VAL 348 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3h60 s VAL 348 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3h60 s VAL 348 CO 0.00 0.50 0.03 -0.22 0.00 0.00 0.00 175.10 175.41 3h60 s LEU 349 N 0.79 3.63 -0.04 3.92 2.96 -1.03 -1.08 118.68 127.83 3h60 s LEU 349 Ca -0.04 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3h60 s LEU 349 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3h60 s LEU 349 CO 0.01 0.16 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.35 3h60 s ILE 350 N 0.42 2.37 0.14 6.68 1.01 0.34 -0.91 121.20 131.24 3h60 s ILE 350 Ca 0.01 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 3h60 s ILE 350 Cb -0.13 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.53 3h60 s ILE 350 CO 0.01 0.58 0.59 0.00 0.00 0.00 0.00 174.94 176.12 3h60 s MET 351 N -0.46 1.25 0.00 2.79 0.23 -0.88 -0.53 119.30 121.70 3h60 s MET 351 Ca 0.05 -0.42 -0.25 0.00 -1.03 0.00 0.00 55.69 54.04 3h60 s MET 351 Cb -0.12 0.57 -0.19 0.00 -1.53 0.00 0.00 34.83 33.57 3h60 s MET 351 CO 0.01 -0.53 1.36 1.25 -2.03 0.00 0.00 175.02 175.08 3h60 h HIS 352 N 2.12 0.03 0.00 3.16 2.76 -1.76 -3.31 115.15 118.14 3h60 h HIS 352 Ca -0.33 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3h60 h HIS 352 Cb 1.29 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3h60 h HIS 352 CO 0.25 0.42 0.00 0.41 -1.30 0.00 0.00 177.93 177.71 3h60 n GLY 353 N -0.01 -0.28 0.00 5.26 0.00 0.11 -0.39 105.19 109.88 3h60 n GLY 353 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3h60 n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h60 n GLY 354 N 2.28 -0.85 0.00 -0.02 0.00 -1.01 -4.56 105.19 101.03 3h60 n GLY 354 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3h60 n GLY 354 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h60 n LEU 355 N 0.00 0.00 -4.64 0.99 4.77 -1.26 -4.11 117.00 112.75 3h60 n LEU 355 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3h60 n LEU 355 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3h60 n LEU 355 CO 0.00 0.00 -0.33 -0.36 -1.33 0.00 0.00 177.39 175.37 3h60 s PHE 356 N 1.82 2.68 -1.78 -1.77 0.08 -1.26 -4.54 117.98 113.20 3h60 s PHE 356 Ca 0.00 -0.23 0.28 0.00 0.12 0.00 0.00 56.93 57.11 3h60 s PHE 356 Cb 0.00 -1.19 1.15 0.00 -0.57 0.00 0.00 43.02 42.41 3h60 s PHE 356 CO 0.00 0.63 1.81 -1.13 -0.10 0.00 0.00 175.22 176.42 3h60 n SER 357 N -0.88 0.67 -4.09 1.36 3.41 -1.26 -4.79 113.62 108.04 3h60 n SER 357 Ca -0.06 -0.76 -0.17 0.00 -0.26 0.00 0.00 58.87 57.62 3h60 n SER 357 Cb 0.59 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 3h60 n SER 357 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3h60 s GLU 358 N -2.40 0.69 0.68 4.33 8.01 -1.26 -5.10 118.70 123.65 3h60 s GLU 358 Ca 0.30 -0.70 -0.13 0.00 0.01 0.00 0.00 54.97 54.45 3h60 s GLU 358 Cb 0.20 -0.61 0.01 0.00 -4.31 0.00 0.00 34.13 29.42 3h60 s GLU 358 CO 0.46 0.14 1.07 -0.51 0.01 0.00 0.00 175.26 176.44 3h60 s ASP 359 N -1.24 5.25 0.00 -0.19 1.01 -1.26 -4.39 116.67 115.85 3h60 s ASP 359 Ca -0.03 1.76 0.00 0.00 0.71 0.00 0.00 52.55 54.99 3h60 s ASP 359 Cb -0.08 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3h60 s ASP 359 CO 0.01 -1.53 0.00 0.61 0.21 0.00 0.00 175.17 174.47 3h60 n GLY 360 N -1.36 0.64 3.74 0.21 0.00 -1.26 -5.04 105.19 102.12 3h60 n GLY 360 Ca 0.09 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3h60 n GLY 360 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h60 s VAL 361 N -2.00 3.36 0.39 1.61 1.01 -1.26 -5.04 120.40 118.47 3h60 s VAL 361 Ca 0.00 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.22 3h60 s VAL 361 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3h60 s VAL 361 CO 0.00 0.19 0.19 0.42 0.00 0.00 0.00 175.10 175.90 3h60 s THR 362 N -0.11 2.57 0.36 3.92 -4.23 -1.26 -4.93 115.64 111.95 3h60 s THR 362 Ca 0.54 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3h60 s THR 362 Cb -0.35 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.74 3h60 s THR 362 CO 0.39 -0.06 1.97 -0.07 -0.54 0.00 0.00 174.62 176.31 3h60 h LEU 363 N 1.43 0.61 -0.92 4.79 3.38 -1.96 -2.12 115.31 120.52 3h60 h LEU 363 Ca -0.43 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3h60 h LEU 363 Cb 1.25 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3h60 h LEU 363 CO 0.66 0.51 0.58 -0.78 0.09 0.00 0.00 178.44 179.51 3h60 h ASP 364 N 0.69 1.09 -0.64 -0.43 3.58 -1.99 -1.51 116.42 117.21 3h60 h ASP 364 Ca 0.18 -0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.62 3h60 h ASP 364 Cb 0.05 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.78 3h60 h ASP 364 CO -0.03 0.82 0.37 0.44 -2.88 0.00 0.00 179.24 177.96 3h60 h ASP 365 N 1.26 0.58 -0.21 2.28 3.32 -1.80 -2.03 116.42 119.83 3h60 h ASP 365 Ca 0.33 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 3h60 h ASP 365 Cb -0.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3h60 h ASP 365 CO -0.07 0.39 0.08 0.40 -1.72 0.00 0.00 179.24 178.32 3h60 h ILE 366 N 0.71 1.17 -0.86 0.35 2.04 -1.02 -2.49 117.51 117.40 3h60 h ILE 366 Ca 0.28 -0.53 0.22 0.00 1.00 0.00 0.00 64.86 65.83 3h60 h ILE 366 Cb 0.12 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3h60 h ILE 366 CO -0.15 0.17 0.59 -0.09 0.00 0.00 0.00 178.15 178.68 3h60 h ARG 367 N 0.17 0.20 0.00 2.37 2.43 -1.06 -2.47 114.38 116.03 3h60 h ARG 367 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3h60 h ARG 367 Cb 0.19 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3h60 h ARG 367 CO -0.00 0.14 -0.59 1.63 -1.51 0.00 0.00 179.97 179.63 3h60 n LYS 368 N -4.41 0.16 -1.65 0.20 5.02 -0.78 -4.31 118.16 112.39 3h60 n LYS 368 Ca 0.18 0.04 -0.48 0.00 -2.02 0.00 0.00 58.31 56.03 3h60 n LYS 368 Cb 0.79 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 3h60 n LYS 368 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3h60 n ILE 369 N -1.82 0.01 -2.89 -0.18 5.41 -0.93 -4.92 119.36 114.04 3h60 n ILE 369 Ca 0.04 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 3h60 n ILE 369 Cb 0.39 -1.36 -0.04 0.00 -0.71 0.00 0.00 39.64 37.92 3h60 n ILE 369 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3h60 s GLU 370 N 0.85 3.12 0.00 0.38 2.12 -1.26 -4.75 118.70 119.16 3h60 s GLU 370 Ca 0.80 -0.85 0.23 0.00 0.36 0.00 0.00 54.97 55.51 3h60 s GLU 370 Cb -0.75 -4.22 0.05 0.00 0.26 0.00 0.00 34.13 29.47 3h60 s GLU 370 CO 0.40 -1.75 1.10 2.89 -0.54 0.00 0.00 175.26 177.37 3h60 n ARG 371 N 7.51 0.46 -2.25 4.30 1.85 -1.26 -4.75 116.66 122.52 3h60 n ARG 371 Ca -0.04 -0.36 -0.41 0.00 -1.00 0.00 0.00 57.85 56.04 3h60 n ARG 371 Cb 0.45 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.36 3h60 n ARG 371 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3h60 n ASN 372 N -0.96 4.34 -3.68 2.89 6.94 -1.23 -4.75 115.26 118.82 3h60 n ASN 372 Ca 0.07 -2.86 -0.02 0.00 -0.02 0.00 0.00 54.58 51.74 3h60 n ASN 372 Cb 0.38 -1.70 -0.01 0.00 -2.36 0.00 0.00 39.78 36.09 3h60 n ASN 372 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h60 s ARG 373 N 4.33 0.85 0.27 -3.83 1.70 -1.26 -5.01 118.95 116.00 3h60 s ARG 373 Ca 0.54 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 3h60 s ARG 373 Cb 0.06 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3h60 s ARG 373 CO 0.05 -0.39 1.06 -0.65 -1.08 0.00 0.00 175.30 174.30 3h60 s GLN 374 N -2.94 4.70 0.61 3.89 -1.52 -1.26 -4.77 119.66 118.36 3h60 s GLN 374 Ca 0.12 1.72 -0.19 0.00 -1.95 0.00 0.00 55.36 55.06 3h60 s GLN 374 Cb 0.01 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 3h60 s GLN 374 CO -0.01 0.29 1.24 -1.25 -0.25 0.00 0.00 175.29 175.30 3h60 s PRO 375 N -1.34 2.86 1.02 2.91 0.04 -1.26 -5.00 135.00 134.23 3h60 s PRO 375 Ca 0.44 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 3h60 s PRO 375 Cb -0.30 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.52 3h60 s PRO 375 CO 0.39 -1.31 1.09 -1.25 0.04 0.00 0.00 177.00 175.95 3h60 s PRO 376 N -3.32 0.28 0.63 0.56 0.04 -1.26 -4.94 135.00 126.98 3h60 s PRO 376 Ca 0.79 0.50 0.40 0.00 0.04 0.00 0.00 61.00 62.73 3h60 s PRO 376 Cb -0.33 -1.72 2.07 0.00 0.04 0.00 0.00 34.50 34.56 3h60 s PRO 376 CO 0.35 -2.83 2.25 -0.44 0.04 0.00 0.00 177.00 176.37 3h60 h ASP 377 N -1.96 0.00 -5.00 6.66 5.19 -2.01 -3.40 116.42 115.89 3h60 h ASP 377 Ca -0.55 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.87 3h60 h ASP 377 Cb 1.33 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.75 3h60 h ASP 377 CO 0.58 0.01 0.21 -0.94 -3.12 0.00 0.00 179.24 175.98 3h60 s SER 378 N -5.39 -0.43 0.00 6.45 1.04 -1.26 -4.54 113.70 109.56 3h60 s SER 378 Ca -0.03 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3h60 s SER 378 Cb 0.12 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.89 3h60 s SER 378 CO 0.46 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3h60 n GLY 379 N -0.41 0.89 0.22 7.32 0.00 -1.26 -4.53 105.19 107.42 3h60 n GLY 379 Ca -0.11 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.75 3h60 n GLY 379 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h60 h PRO 380 N 0.00 0.70 -0.71 1.61 0.11 -1.99 0.16 132.00 131.89 3h60 h PRO 380 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3h60 h PRO 380 Cb 0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 3h60 h PRO 380 CO 0.00 0.49 0.33 1.98 -0.21 0.00 0.00 178.00 180.59 3h60 h MET 381 N 0.70 1.03 -0.23 1.05 1.85 -1.96 -0.75 114.93 116.62 3h60 h MET 381 Ca 0.19 -0.16 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 3h60 h MET 381 Cb -0.04 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 31.80 3h60 h MET 381 CO -0.04 0.82 0.10 0.00 -0.40 0.00 0.00 176.91 177.38 3h60 h ASP 383 N 0.23 0.82 -0.95 0.00 3.32 -0.23 -1.68 116.42 117.92 3h60 h ASP 383 Ca 0.08 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.15 3h60 h ASP 383 Cb 0.16 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 3h60 h ASP 383 CO -0.01 0.67 0.59 -0.07 -1.72 0.00 0.00 179.24 178.71 3h60 h LEU 384 N 0.91 0.87 -0.04 1.55 3.38 -1.13 -1.68 115.31 119.17 3h60 h LEU 384 Ca 0.23 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 3h60 h LEU 384 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h60 h LEU 384 CO -0.04 0.48 -0.80 -0.07 0.09 0.00 0.00 178.44 178.10 3h60 h LEU 385 N 0.96 0.00 0.00 1.67 3.38 -1.41 0.32 115.31 120.23 3h60 h LEU 385 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3h60 h LEU 385 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3h60 h LEU 385 CO -0.25 0.80 -0.60 0.79 0.09 0.00 0.00 178.44 179.27 3h60 n TRP 386 N -3.32 0.00 -1.88 1.13 7.02 -0.65 -3.87 117.44 115.87 3h60 n TRP 386 Ca 0.01 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 3h60 n TRP 386 Cb 0.85 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.75 3h60 n TRP 386 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3h60 s SER 387 N -1.54 6.19 0.01 -0.99 1.04 -0.65 -4.82 113.70 112.95 3h60 s SER 387 Ca 0.00 1.40 0.04 0.00 0.48 0.00 0.00 55.95 57.87 3h60 s SER 387 Cb 0.00 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3h60 s SER 387 CO 0.00 -0.89 -0.13 -1.81 0.98 0.00 0.00 173.24 171.39 3h60 s ASP 388 N -4.19 1.57 0.64 7.02 1.01 -0.91 -3.61 116.67 118.21 3h60 s ASP 388 Ca 0.55 -0.34 -0.16 0.00 0.71 0.00 0.00 52.55 53.31 3h60 s ASP 388 Cb -0.11 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 3h60 s ASP 388 CO 0.54 0.09 1.12 -2.16 0.21 0.00 0.00 175.17 174.97 3h60 s PRO 389 N -0.71 2.87 0.14 8.23 0.04 -1.26 -1.11 135.00 143.19 3h60 s PRO 389 Ca 0.03 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.57 3h60 s PRO 389 Cb -0.06 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3h60 s PRO 389 CO 0.00 -1.21 -0.12 1.14 0.04 0.00 0.00 177.00 176.86 3h60 s GLN 390 N -3.95 1.05 0.23 4.56 -2.07 0.42 -4.66 119.66 115.24 3h60 s GLN 390 Ca 0.68 -1.37 0.06 0.00 -1.82 0.00 0.00 55.36 52.92 3h60 s GLN 390 Cb -0.21 -0.73 0.21 0.00 -1.09 0.00 0.00 33.01 31.19 3h60 s GLN 390 CO 0.39 0.11 1.53 -1.00 -1.32 0.00 0.00 175.29 175.00 3h60 h PRO 391 N 3.06 0.14 -6.62 9.60 0.13 -1.98 -3.36 132.00 132.97 3h60 h PRO 391 Ca -0.38 -0.11 -0.51 0.00 -0.87 0.00 0.00 66.00 64.13 3h60 h PRO 391 Cb 1.19 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3h60 h PRO 391 CO 0.58 0.76 0.01 1.14 -0.23 0.00 0.00 178.00 180.26 3h60 s GLN 392 N -3.55 3.88 0.57 0.86 0.00 -1.26 -4.46 119.66 115.69 3h60 s GLN 392 Ca -0.03 0.46 -0.20 0.00 -0.00 0.00 0.00 55.36 55.59 3h60 s GLN 392 Cb 0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 33.01 30.57 3h60 s GLN 392 CO 0.79 0.20 1.28 -0.80 0.00 0.00 0.00 175.29 176.76 3h60 s ASN 393 N -2.45 5.24 0.00 12.60 0.01 -1.26 -4.01 114.94 125.07 3h60 s ASN 393 Ca 0.51 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 55.24 3h60 s ASN 393 Cb -0.11 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3h60 s ASN 393 CO 0.21 -1.57 0.00 0.61 -1.51 0.00 0.00 177.10 174.84 3h60 n GLY 394 N 0.67 0.23 3.11 0.66 0.00 -1.26 -4.86 105.19 103.74 3h60 n GLY 394 Ca 0.12 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 3h60 n GLY 394 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h60 s ARG 395 N 0.00 0.34 0.10 1.61 0.52 -1.26 -1.23 118.95 119.04 3h60 s ARG 395 Ca 0.00 0.08 0.07 0.00 -0.52 0.00 0.00 55.73 55.35 3h60 s ARG 395 Cb 0.00 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 3h60 s ARG 395 CO 0.00 -0.06 -0.17 -1.12 0.02 0.00 0.00 175.30 173.96 3h60 s SER 396 N -0.39 2.21 0.18 0.23 0.01 -0.43 -4.97 113.70 110.54 3h60 s SER 396 Ca -0.05 -0.71 -0.33 0.00 1.31 0.00 0.00 55.95 56.18 3h60 s SER 396 Cb -0.03 -0.10 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 3h60 s SER 396 CO 0.01 -0.03 1.63 -0.38 0.41 0.00 0.00 173.24 174.89 3h60 n ILE 397 N 0.96 0.03 -1.93 1.44 5.41 -1.26 -0.53 119.36 123.49 3h60 n ILE 397 Ca -0.19 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.15 3h60 n ILE 397 Cb 0.55 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.74 3h60 n ILE 397 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3h60 s SER 398 N 1.00 6.52 0.13 4.38 0.15 -1.19 -4.61 113.70 120.08 3h60 s SER 398 Ca 0.77 2.87 0.17 0.00 0.70 0.00 0.00 55.95 60.46 3h60 s SER 398 Cb -0.60 -2.65 0.73 0.00 -1.71 0.00 0.00 66.02 61.78 3h60 s SER 398 CO 0.36 -0.75 1.51 0.29 1.20 0.00 0.00 173.24 175.85 3h60 n LYS 399 N 1.03 0.09 0.00 5.44 5.02 -1.26 -2.23 118.16 126.25 3h60 n LYS 399 Ca 0.02 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.85 3h60 n LYS 399 Cb 0.40 -1.69 0.54 0.00 -0.02 0.00 0.00 35.03 34.26 3h60 n LYS 399 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h60 n ARG 400 N -1.86 0.04 -0.79 1.97 1.74 -1.26 -4.94 116.66 111.56 3h60 n ARG 400 Ca 0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3h60 n ARG 400 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3h60 n ARG 400 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h60 n GLY 401 N 1.48 0.78 3.10 -0.13 0.00 -0.95 -5.03 105.19 104.44 3h60 n GLY 401 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3h60 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h60 s VAL 402 N -2.93 0.08 0.00 1.61 0.11 -1.26 -5.02 120.40 112.99 3h60 s VAL 402 Ca 0.00 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 3h60 s VAL 402 Cb 0.00 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 3h60 s VAL 402 CO 0.00 -0.35 0.00 -0.24 -3.33 0.00 0.00 175.10 171.18 3h60 n SER 403 N 1.58 -0.52 -3.72 3.54 2.88 -1.26 -4.60 113.62 111.52 3h60 n SER 403 Ca -0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.19 3h60 n SER 403 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 3h60 n SER 403 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h60 s GLN 405 N -3.66 3.58 -0.04 0.00 -0.21 0.31 -2.14 119.66 117.50 3h60 s GLN 405 Ca 0.32 -0.02 0.05 0.00 0.02 0.00 0.00 55.36 55.73 3h60 s GLN 405 Cb 0.02 -3.15 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 3h60 s GLN 405 CO 0.16 0.71 -0.20 -0.59 -2.12 0.00 0.00 175.29 173.25 3h60 s PHE 406 N -1.16 1.90 0.69 0.91 -0.71 -0.27 -1.31 117.98 118.03 3h60 s PHE 406 Ca 0.22 -0.50 0.02 0.00 -1.04 0.00 0.00 56.93 55.63 3h60 s PHE 406 Cb -0.13 -1.25 0.12 0.00 -1.21 0.00 0.00 43.02 40.55 3h60 s PHE 406 CO 0.11 -0.14 0.95 0.20 -1.34 0.00 0.00 175.22 175.00 3h60 s GLY 407 N -0.15 1.75 0.51 1.99 0.00 -0.36 -0.44 107.32 110.62 3h60 s GLY 407 Ca -0.00 -1.88 0.20 0.00 0.00 0.00 0.00 44.72 43.03 3h60 s GLY 407 CO 0.02 -1.32 2.11 -2.55 0.00 0.00 0.00 173.10 171.35 3h60 h PRO 408 N -0.37 0.00 -0.17 2.90 0.11 -1.74 -1.07 132.00 131.66 3h60 h PRO 408 Ca -0.34 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 3h60 h PRO 408 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3h60 h PRO 408 CO 0.39 0.08 -0.30 0.38 -0.21 0.00 0.00 178.00 178.34 3h60 h ASP 409 N 0.00 0.34 -0.28 -2.05 2.03 -1.91 -0.80 116.42 113.76 3h60 h ASP 409 Ca -0.00 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.12 3h60 h ASP 409 Cb 0.16 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 3h60 h ASP 409 CO 0.01 0.64 -0.07 0.58 -1.03 0.00 0.00 179.24 179.36 3h60 h VAL 410 N 0.29 1.28 -0.24 4.15 2.07 -1.49 -1.84 116.25 120.47 3h60 h VAL 410 Ca 0.04 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3h60 h VAL 410 Cb 0.69 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3h60 h VAL 410 CO 0.05 0.35 0.10 0.74 0.02 0.00 0.00 177.57 178.83 3h60 h THR 411 N 0.29 1.17 -0.40 2.57 2.02 -1.26 -1.35 112.91 115.96 3h60 h THR 411 Ca 0.07 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.79 3h60 h THR 411 Cb 0.55 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3h60 h THR 411 CO 0.03 0.17 0.16 0.50 0.37 0.00 0.00 175.52 176.75 3h60 h LYS 412 N 0.24 0.33 -0.70 6.66 3.64 -1.10 -0.75 116.57 124.89 3h60 h LYS 412 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3h60 h LYS 412 Cb 0.17 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3h60 h LYS 412 CO -0.01 0.22 0.40 0.00 -2.27 0.00 0.00 179.45 177.79 3h60 h ALA 413 N 1.24 0.90 0.01 5.00 0.00 -1.10 -1.44 119.26 123.86 3h60 h ALA 413 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h60 h ALA 413 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h60 h ALA 413 CO -0.16 0.40 -0.00 0.35 0.00 0.00 0.00 179.25 179.83 3h60 h PHE 414 N 0.96 -0.01 -0.85 0.00 3.57 -0.84 -1.49 116.94 118.28 3h60 h PHE 414 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3h60 h PHE 414 Cb 0.02 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 3h60 h PHE 414 CO -0.01 0.15 0.54 -0.07 -2.23 0.00 0.00 178.31 176.69 3h60 h LEU 415 N -0.17 0.86 -0.13 0.59 3.38 -1.11 -1.55 115.31 117.18 3h60 h LEU 415 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h60 h LEU 415 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h60 h LEU 415 CO 0.00 0.57 0.00 -0.33 0.09 0.00 0.00 178.44 178.78 3h60 h GLU 416 N 1.01 0.23 -0.56 1.13 5.08 -1.11 0.02 114.58 120.37 3h60 h GLU 416 Ca 0.36 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3h60 h GLU 416 Cb 0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3h60 h GLU 416 CO -0.15 0.46 0.21 1.49 -1.00 0.00 0.00 179.01 180.02 3h60 h GLU 417 N -0.03 0.82 -0.20 2.33 4.81 -1.04 -2.80 114.58 118.47 3h60 h GLU 417 Ca 0.04 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3h60 h GLU 417 Cb 0.35 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3h60 h GLU 417 CO 0.01 0.69 0.00 0.09 -0.73 0.00 0.00 179.01 179.07 3h60 n ASN 418 N -4.32 2.42 -3.77 1.04 3.02 -0.61 -4.96 115.26 108.08 3h60 n ASN 418 Ca 0.05 -1.82 -0.26 0.00 -0.03 0.00 0.00 54.58 52.52 3h60 n ASN 418 Cb 0.18 -0.12 0.04 0.00 -0.61 0.00 0.00 39.78 39.26 3h60 n ASN 418 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3h60 n ASN 419 N 0.83 -3.67 -4.78 6.41 2.85 -0.30 -5.00 115.26 111.60 3h60 n ASN 419 Ca 0.17 -0.75 -0.25 0.00 -0.11 0.00 0.00 54.58 53.65 3h60 n ASN 419 Cb 0.46 -4.17 -0.05 0.00 1.24 0.00 0.00 39.78 37.26 3h60 n ASN 419 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3h60 s LEU 420 N -7.04 3.71 -0.14 1.20 1.43 -0.16 -4.64 118.68 113.04 3h60 s LEU 420 Ca 0.40 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 3h60 s LEU 420 Cb -0.19 -2.29 -0.17 0.00 0.03 0.00 0.00 46.19 43.57 3h60 s LEU 420 CO 0.80 0.03 0.43 0.44 0.23 0.00 0.00 176.35 178.29 3h60 h ASP 421 N 2.09 0.00 -5.11 2.29 3.32 -0.57 -3.42 116.42 115.01 3h60 h ASP 421 Ca -0.48 -0.60 0.07 0.00 0.02 0.00 0.00 57.03 56.04 3h60 h ASP 421 Cb 1.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 3h60 h ASP 421 CO 0.61 0.90 0.34 -0.72 -1.72 0.00 0.00 179.24 178.65 3h60 s TYR 422 N -2.05 -0.05 0.20 4.55 1.13 -1.15 -4.85 117.35 115.14 3h60 s TYR 422 Ca -0.15 -0.45 0.10 0.00 -1.41 0.00 0.00 57.07 55.17 3h60 s TYR 422 Cb -0.01 0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 41.55 3h60 s TYR 422 CO 0.46 -1.23 -0.16 0.96 -2.51 0.00 0.00 175.55 173.06 3h60 s ILE 423 N -3.07 2.78 -0.07 -3.49 -4.36 0.32 -2.46 121.20 110.85 3h60 s ILE 423 Ca 0.14 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.67 3h60 s ILE 423 Cb -0.04 -2.38 -0.00 0.00 1.25 0.00 0.00 42.46 41.29 3h60 s ILE 423 CO 0.07 -0.15 -0.22 -0.63 0.24 0.00 0.00 174.94 174.25 3h60 s ILE 424 N -1.80 1.85 0.25 8.37 1.01 -0.09 -1.41 121.20 129.38 3h60 s ILE 424 Ca 0.24 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 3h60 s ILE 424 Cb -0.08 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3h60 s ILE 424 CO 0.13 0.52 0.24 0.00 0.00 0.00 0.00 174.94 175.82 3h60 s ARG 425 N 0.16 1.45 0.00 2.79 1.04 -0.01 -2.08 118.95 122.30 3h60 s ARG 425 Ca -0.11 -1.70 0.00 0.00 -1.04 0.00 0.00 55.73 52.88 3h60 s ARG 425 Cb -0.15 0.32 0.00 0.00 -2.04 0.00 0.00 34.95 33.08 3h60 s ARG 425 CO 0.06 -0.52 0.00 0.43 -0.04 0.00 0.00 175.30 175.22 3h60 n SER 426 N -0.72 0.00 0.00 -2.89 7.64 0.48 -1.52 113.62 116.61 3h60 n SER 426 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3h60 n SER 426 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3h60 n SER 426 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3h60 n HIS 427 N 0.00 0.00 -4.60 1.43 -0.00 -1.23 -4.79 115.22 106.03 3h60 n HIS 427 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 3h60 n HIS 427 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 3h60 n HIS 427 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3h60 s GLU 428 N -0.04 1.93 0.30 1.57 2.02 -1.26 -5.11 118.70 118.11 3h60 s GLU 428 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 3h60 s GLU 428 Cb 0.00 -1.59 -0.11 0.00 0.10 0.00 0.00 34.13 32.53 3h60 s GLU 428 CO 0.00 0.01 1.54 0.54 0.02 0.00 0.00 175.26 177.38 3h60 s VAL 429 N 0.73 2.17 -0.08 2.63 0.11 -1.26 -4.79 120.40 119.92 3h60 s VAL 429 Ca -0.13 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 3h60 s VAL 429 Cb -0.16 -3.10 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 3h60 s VAL 429 CO 0.03 0.03 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.15 3h60 s LYS 430 N -0.80 1.93 0.32 1.54 -0.14 -1.26 -5.05 119.74 116.28 3h60 s LYS 430 Ca 0.60 -0.48 0.10 0.00 -1.36 0.00 0.00 55.97 54.83 3h60 s LYS 430 Cb -0.46 -1.58 0.92 0.00 -1.68 0.00 0.00 37.83 35.02 3h60 s LYS 430 CO 0.50 0.02 1.70 0.00 -0.76 0.00 0.00 175.35 176.82 3h60 h ALA 431 N 7.04 1.78 -0.02 5.17 0.00 -1.89 0.22 119.26 131.56 3h60 h ALA 431 Ca -0.29 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h60 h ALA 431 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h60 h ALA 431 CO 0.47 -0.37 -0.02 0.39 0.00 0.00 0.00 179.25 179.73 3h60 n GLU 432 N -4.96 1.94 0.00 0.00 -0.58 -1.26 -0.89 120.64 114.89 3h60 n GLU 432 Ca 0.28 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.62 3h60 n GLU 432 Cb 0.80 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3h60 n GLU 432 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h60 n GLY 433 N 1.26 2.08 3.67 0.62 0.00 0.07 -4.54 105.19 108.35 3h60 n GLY 433 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3h60 n GLY 433 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h60 s TYR 434 N -2.40 0.04 -0.12 1.61 1.13 -1.26 -1.18 117.35 115.17 3h60 s TYR 434 Ca 0.00 -0.43 -0.20 0.00 -1.41 0.00 0.00 57.07 55.02 3h60 s TYR 434 Cb 0.00 0.43 0.05 0.00 -1.10 0.00 0.00 41.96 41.34 3h60 s TYR 434 CO 0.00 -1.07 0.52 -2.00 -2.51 0.00 0.00 175.55 170.49 3h60 s GLU 435 N -3.95 0.73 -0.27 -3.49 2.12 -0.51 -4.85 118.70 108.48 3h60 s GLU 435 Ca 0.15 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.93 3h60 s GLU 435 Cb -0.03 0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.77 3h60 s GLU 435 CO 0.05 -0.16 -0.09 0.08 -0.54 0.00 0.00 175.26 174.61 3h60 s VAL 436 N -0.41 2.24 0.56 3.70 1.01 -1.26 -0.32 120.40 125.92 3h60 s VAL 436 Ca -0.05 -1.66 0.08 0.00 0.00 0.00 0.00 61.98 60.34 3h60 s VAL 436 Cb -0.03 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3h60 s VAL 436 CO 0.04 -0.07 0.60 0.00 0.00 0.00 0.00 175.10 175.66 3h60 s ALA 437 N 1.10 4.58 -1.45 5.51 0.00 0.21 -4.65 121.76 127.05 3h60 s ALA 437 Ca -0.07 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.07 3h60 s ALA 437 Cb -0.20 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 21.88 3h60 s ALA 437 CO -0.05 -0.65 1.08 0.72 0.00 0.00 0.00 175.76 176.85 3h60 n HIS 438 N -2.00 -2.57 -2.32 0.00 8.25 -1.26 -1.99 115.22 113.32 3h60 n HIS 438 Ca 0.07 0.96 -0.20 0.00 -0.26 0.00 0.00 57.72 58.29 3h60 n HIS 438 Cb 0.63 -4.47 -0.02 0.00 1.12 0.00 0.00 29.99 27.25 3h60 n HIS 438 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h60 n GLY 439 N -1.84 -0.27 0.00 -1.41 0.00 -1.26 -1.96 105.19 98.45 3h60 n GLY 439 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h60 n GLY 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h60 n GLY 440 N -0.98 2.51 0.13 -0.02 0.00 -0.84 -5.00 105.19 100.98 3h60 n GLY 440 Ca -0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3h60 n GLY 440 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h60 h ARG 441 N 0.93 0.00 -3.62 1.61 2.47 -1.05 -3.42 114.38 111.30 3h60 h ARG 441 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 3h60 h ARG 441 Cb 0.00 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 27.92 3h60 h ARG 441 CO 0.00 0.54 -0.74 0.00 0.56 0.00 0.00 179.97 180.33 3h60 s VAL 443 N 1.19 5.20 -0.11 0.00 1.01 -0.50 0.66 120.40 127.86 3h60 s VAL 443 Ca 0.12 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 3h60 s VAL 443 Cb -0.19 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3h60 s VAL 443 CO -0.16 0.53 -0.07 -0.89 0.00 0.00 0.00 175.10 174.51 3h60 s THR 444 N -0.64 3.64 -0.04 3.92 2.01 0.56 -0.83 115.64 124.25 3h60 s THR 444 Ca 0.20 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3h60 s THR 444 Cb -0.15 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.83 3h60 s THR 444 CO 0.09 0.55 -0.16 0.54 -0.69 0.00 0.00 174.62 174.95 3h60 s VAL 445 N -0.22 1.36 -0.06 3.82 0.11 -0.58 -1.42 120.40 123.42 3h60 s VAL 445 Ca 0.03 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3h60 s VAL 445 Cb -0.13 -1.18 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3h60 s VAL 445 CO 0.03 0.40 0.02 0.12 -3.33 0.00 0.00 175.10 172.33 3h60 s PHE 446 N 0.06 0.43 -0.26 1.54 5.36 -0.32 -4.24 117.98 120.55 3h60 s PHE 446 Ca -0.04 -0.01 0.12 0.00 -0.96 0.00 0.00 56.93 56.04 3h60 s PHE 446 Cb -0.11 -0.66 0.58 0.00 -0.34 0.00 0.00 43.02 42.48 3h60 s PHE 446 CO 0.02 -0.27 1.55 0.43 -1.46 0.00 0.00 175.22 175.49 3h60 n SER 447 N 5.12 3.59 -4.00 6.13 7.64 -0.57 -1.90 113.62 129.64 3h60 n SER 447 Ca -0.07 -3.36 -0.32 0.00 1.01 0.00 0.00 58.87 56.13 3h60 n SER 447 Cb 0.50 -0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 3h60 n SER 447 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h60 s ALA 448 N -3.04 3.50 0.61 -0.43 0.00 -0.88 -4.66 121.76 116.86 3h60 s ALA 448 Ca 0.47 -3.36 -0.18 0.00 0.00 0.00 0.00 51.96 48.89 3h60 s ALA 448 Cb 0.39 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3h60 s ALA 448 CO 0.07 -2.07 1.15 -1.25 0.00 0.00 0.00 175.76 173.66 3h60 s PRO 449 N -0.40 2.99 -1.33 0.00 0.04 -1.26 -3.43 135.00 131.61 3h60 s PRO 449 Ca 0.18 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 3h60 s PRO 449 Cb -0.21 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3h60 s PRO 449 CO -0.03 -1.14 0.46 -1.71 0.04 0.00 0.00 177.00 174.62 3h60 n ASN 450 N -1.84 -2.31 -4.66 6.66 5.15 0.43 -4.72 115.26 113.97 3h60 n ASN 450 Ca 0.12 -1.22 -0.48 0.00 -0.60 0.00 0.00 54.58 52.39 3h60 n ASN 450 Cb 0.51 -2.04 -0.05 0.00 -0.53 0.00 0.00 39.78 37.68 3h60 n ASN 450 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h60 n TYR 451 N -4.74 2.11 -2.32 1.20 9.36 -1.22 -0.79 117.16 120.77 3h60 n TYR 451 Ca -0.20 0.32 -0.19 0.00 3.32 0.00 0.00 57.90 61.16 3h60 n TYR 451 Cb 0.62 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 36.81 3h60 n TYR 451 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h60 n ASP 453 N -1.87 -5.88 0.00 0.00 8.00 0.03 -4.73 116.55 112.10 3h60 n ASP 453 Ca -0.22 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3h60 n ASP 453 Cb 0.66 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 3h60 n ASP 453 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h60 n GLN 454 N 0.56 2.41 0.22 -1.24 6.02 -0.88 -4.88 117.38 119.59 3h60 n GLN 454 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 3h60 n GLN 454 Cb 0.51 -0.80 0.22 0.00 1.02 0.00 0.00 30.24 31.19 3h60 n GLN 454 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3h60 h MET 455 N 0.00 0.00 0.00 -1.09 2.86 -1.60 -3.47 114.93 111.63 3h60 h MET 455 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h60 h MET 455 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3h60 h MET 455 CO 0.00 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.42 3h60 n GLY 456 N 0.98 0.25 3.81 8.32 0.00 -1.26 -4.88 105.19 112.41 3h60 n GLY 456 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3h60 n GLY 456 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h60 s ASN 457 N -2.13 5.86 0.64 1.61 4.22 -1.26 -4.71 114.94 119.17 3h60 s ASN 457 Ca 0.00 1.74 -0.11 0.00 -2.14 0.00 0.00 52.86 52.34 3h60 s ASN 457 Cb 0.00 -2.52 -0.02 0.00 1.28 0.00 0.00 41.25 39.98 3h60 s ASN 457 CO 0.00 -1.11 1.04 -0.54 -2.04 0.00 0.00 177.10 174.45 3h60 s LYS 458 N -4.25 3.36 0.34 3.55 1.02 -0.07 -0.43 119.74 123.26 3h60 s LYS 458 Ca 0.62 0.85 0.09 0.00 0.02 0.00 0.00 55.97 57.55 3h60 s LYS 458 Cb -0.15 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 3h60 s LYS 458 CO 0.39 -0.76 0.03 0.00 -0.92 0.00 0.00 175.35 174.10 3h60 s ALA 459 N -3.07 3.25 0.22 5.17 0.00 -0.34 -2.23 121.76 124.76 3h60 s ALA 459 Ca 0.57 -1.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 3h60 s ALA 459 Cb -0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3h60 s ALA 459 CO 0.52 0.05 0.28 -1.54 0.00 0.00 0.00 175.76 175.08 3h60 s SER 460 N -3.74 0.09 0.19 0.00 1.04 -0.80 -0.70 113.70 109.78 3h60 s SER 460 Ca 0.35 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.60 3h60 s SER 460 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 3h60 s SER 460 CO 0.20 -0.98 -0.01 -0.72 0.98 0.00 0.00 173.24 172.71 3h60 s TYR 461 N -4.07 1.32 -0.06 5.02 -0.85 -0.78 -4.01 117.35 113.93 3h60 s TYR 461 Ca 0.32 -0.95 0.03 0.00 -0.52 0.00 0.00 57.07 55.95 3h60 s TYR 461 Cb 0.04 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 3h60 s TYR 461 CO 0.11 -0.12 -0.13 0.42 -1.52 0.00 0.00 175.55 174.31 3h60 s ILE 462 N -3.54 3.16 -0.19 -3.49 1.01 0.21 -0.71 121.20 117.66 3h60 s ILE 462 Ca 0.24 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3h60 s ILE 462 Cb 0.05 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3h60 s ILE 462 CO 0.05 0.59 0.06 -1.00 0.00 0.00 0.00 174.94 174.63 3h60 s HIS 463 N -0.67 3.21 0.08 3.97 3.76 -0.04 -0.41 115.29 125.19 3h60 s HIS 463 Ca 0.10 -0.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.08 3h60 s HIS 463 Cb -0.11 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 3h60 s HIS 463 CO 0.01 0.07 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.22 3h60 s LEU 464 N 0.55 2.37 0.10 0.89 1.43 -0.42 -1.48 118.68 122.12 3h60 s LEU 464 Ca 0.03 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3h60 s LEU 464 Cb -0.13 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3h60 s LEU 464 CO 0.01 0.22 -0.12 0.00 0.23 0.00 0.00 176.35 176.70 3h60 s GLN 465 N -1.64 0.88 0.43 1.70 -2.07 -1.14 -0.96 119.66 116.85 3h60 s GLN 465 Ca 0.14 -1.12 0.09 0.00 -1.82 0.00 0.00 55.36 52.65 3h60 s GLN 465 Cb -0.10 -0.68 0.94 0.00 -1.09 0.00 0.00 33.01 32.08 3h60 s GLN 465 CO 0.05 0.13 2.06 0.78 -1.32 0.00 0.00 175.29 176.98 3h60 h GLY 466 N 3.73 0.40 0.43 2.60 0.00 -0.82 -0.62 103.07 108.80 3h60 h GLY 466 Ca -0.39 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3h60 h GLY 466 CO 0.49 0.16 -0.10 -1.14 0.00 0.00 0.00 176.54 175.95 3h60 n SER 467 N -4.46 0.79 -3.10 0.19 3.41 -1.16 -4.63 113.62 104.66 3h60 n SER 467 Ca 0.01 -0.92 0.03 0.00 -0.26 0.00 0.00 58.87 57.73 3h60 n SER 467 Cb 0.10 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3h60 n SER 467 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h60 s ASP 468 N -2.31 -1.06 0.00 4.04 -1.08 -0.25 -5.03 116.67 110.98 3h60 s ASP 468 Ca 0.32 -0.12 0.10 0.00 -0.52 0.00 0.00 52.55 52.33 3h60 s ASP 468 Cb 0.20 1.54 0.44 0.00 -1.46 0.00 0.00 42.92 43.64 3h60 s ASP 468 CO 0.44 -0.17 1.30 0.18 0.52 0.00 0.00 175.17 177.44 3h60 n LEU 469 N 4.83 0.64 -4.76 -1.34 4.77 -1.16 -2.90 117.00 117.07 3h60 n LEU 469 Ca 0.08 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 3h60 n LEU 469 Cb 0.57 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3h60 n LEU 469 CO -0.08 0.15 0.94 -0.13 -1.33 0.00 0.00 177.39 176.94 3h60 s ARG 470 N -1.87 4.42 0.19 3.23 0.52 -1.26 -4.83 118.95 119.35 3h60 s ARG 470 Ca 0.16 2.11 -0.30 0.00 -0.52 0.00 0.00 55.73 57.19 3h60 s ARG 470 Cb 0.08 -3.11 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 3h60 s ARG 470 CO 0.12 -0.11 1.23 -1.25 0.02 0.00 0.00 175.30 175.31 3h60 s PRO 471 N -1.53 4.46 -0.19 3.54 0.04 -1.26 -4.74 135.00 135.32 3h60 s PRO 471 Ca 0.49 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 3h60 s PRO 471 Cb -0.38 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 3h60 s PRO 471 CO 0.49 -0.14 -0.07 -0.65 0.04 0.00 0.00 177.00 176.66 3h60 s GLN 472 N -0.19 3.40 -0.11 4.56 -0.21 -0.55 -4.98 119.66 121.58 3h60 s GLN 472 Ca 0.54 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 55.15 3h60 s GLN 472 Cb -0.34 -2.88 -0.05 0.00 1.00 0.00 0.00 33.01 30.75 3h60 s GLN 472 CO 0.37 -0.04 0.31 -0.06 -2.12 0.00 0.00 175.29 173.75 3h60 s PHE 473 N 1.04 3.56 -0.21 0.91 0.08 -1.26 -0.86 117.98 121.23 3h60 s PHE 473 Ca 0.00 0.71 0.01 0.00 0.12 0.00 0.00 56.93 57.76 3h60 s PHE 473 Cb -0.15 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 3h60 s PHE 473 CO -0.01 0.43 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.39 3h60 s HIS 474 N -0.19 2.94 0.15 0.36 3.76 0.11 -5.00 115.29 117.43 3h60 s HIS 474 Ca 0.19 -1.72 -0.05 0.00 -0.15 0.00 0.00 55.06 53.33 3h60 s HIS 474 Cb -0.14 -1.96 -0.06 0.00 1.11 0.00 0.00 32.58 31.53 3h60 s HIS 474 CO 0.07 -0.79 0.39 -0.65 -0.85 0.00 0.00 174.74 172.91 3h60 s GLN 475 N 1.27 3.62 0.15 1.40 -0.21 -1.26 -1.86 119.66 122.76 3h60 s GLN 475 Ca 0.01 -0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.18 3h60 s GLN 475 Cb -0.15 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.04 3h60 s GLN 475 CO -0.09 0.45 0.36 -0.59 -2.12 0.00 0.00 175.29 173.30 3h60 s PHE 476 N -1.69 0.05 0.45 0.91 -0.71 0.12 -4.96 117.98 112.15 3h60 s PHE 476 Ca 0.41 -0.41 0.04 0.00 -1.04 0.00 0.00 56.93 55.93 3h60 s PHE 476 Cb -0.12 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 3h60 s PHE 476 CO 0.25 -0.73 0.01 0.95 -1.34 0.00 0.00 175.22 174.36 3h60 s THR 477 N -3.88 1.51 0.48 -4.49 -4.23 -1.26 -1.20 115.64 102.57 3h60 s THR 477 Ca 0.09 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 3h60 s THR 477 Cb 0.02 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.22 3h60 s THR 477 CO -0.06 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.16 3h60 s ALA 478 N -2.84 2.91 0.29 3.99 0.00 -1.26 -4.95 121.76 119.90 3h60 s ALA 478 Ca 0.21 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3h60 s ALA 478 Cb 0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3h60 s ALA 478 CO 0.11 -0.65 0.15 0.14 0.00 0.00 0.00 175.76 175.50 3h60 s VAL 479 N -1.62 3.65 0.63 0.00 -7.23 -1.26 -5.08 120.40 109.49 3h60 s VAL 479 Ca 0.66 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 3h60 s VAL 479 Cb -0.27 -3.11 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 3h60 s VAL 479 CO 0.32 -0.28 1.28 -2.84 -0.31 0.00 0.00 175.10 173.27 3h60 s PRO 480 N -3.83 2.68 0.14 4.82 0.02 -1.26 -4.85 135.00 132.73 3h60 s PRO 480 Ca 0.35 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 3h60 s PRO 480 Cb -0.06 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3h60 s PRO 480 CO 0.23 -1.49 0.11 -3.38 -0.33 0.00 0.00 177.00 172.14 3h60 s HIS 481 N -1.42 0.79 0.81 6.54 -3.43 -1.26 -4.91 115.29 112.40 3h60 s HIS 481 Ca 0.81 -1.15 -0.14 0.00 -0.80 0.00 0.00 55.06 53.78 3h60 s HIS 481 Cb -0.37 -0.40 0.06 0.00 -1.43 0.00 0.00 32.58 30.45 3h60 s HIS 481 CO 0.39 -0.57 1.07 -2.30 -2.00 0.00 0.00 174.74 171.34 3h60 n PRO 482 N -0.13 0.18 -1.83 -0.38 -0.02 -1.26 -4.83 135.00 126.73 3h60 n PRO 482 Ca -0.05 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 3h60 n PRO 482 Cb 0.64 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3h60 n PRO 482 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3h60 n ASN 483 N -2.77 3.79 -4.22 2.55 5.15 -1.26 -4.83 115.26 113.67 3h60 n ASN 483 Ca 0.13 -2.82 -0.31 0.00 -0.60 0.00 0.00 54.58 50.98 3h60 n ASN 483 Cb 0.50 -1.58 -0.17 0.00 -0.53 0.00 0.00 39.78 38.01 3h60 n ASN 483 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3h60 s VAL 484 N 4.34 1.95 0.47 3.44 1.01 -1.26 -5.14 120.40 125.21 3h60 s VAL 484 Ca 0.52 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3h60 s VAL 484 Cb 0.11 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 3h60 s VAL 484 CO 0.00 0.54 0.89 -0.54 0.00 0.00 0.00 175.10 176.00 3h60 s LYS 485 N 0.17 3.85 0.42 2.72 3.01 -1.26 -4.89 119.74 123.75 3h60 s LYS 485 Ca -0.12 0.72 -0.27 0.00 -1.01 0.00 0.00 55.97 55.29 3h60 s LYS 485 Cb -0.16 -2.25 -0.10 0.00 -1.01 0.00 0.00 37.83 34.32 3h60 s LYS 485 CO 0.06 -0.19 1.47 -2.30 0.51 0.00 0.00 175.35 174.91 3h60 n PRO 486 N -1.54 2.48 -1.89 -1.68 -0.02 -1.26 -2.10 135.00 128.99 3h60 n PRO 486 Ca 0.05 0.88 -0.18 0.00 -2.02 0.00 0.00 63.50 62.22 3h60 n PRO 486 Cb 0.54 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 3h60 n PRO 486 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3h60 n MET 487 N 0.10 -1.58 0.25 -0.52 2.81 0.30 -4.84 117.12 113.64 3h60 n MET 487 Ca 0.03 1.01 0.18 0.00 -1.81 0.00 0.00 57.70 57.11 3h60 n MET 487 Cb 0.40 -5.48 0.89 0.00 -0.71 0.00 0.00 33.22 28.33 3h60 n MET 487 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h60 h ALA 488 N 0.55 1.58 -0.02 3.04 0.00 -1.72 -1.30 119.26 121.39 3h60 h ALA 488 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h60 h ALA 488 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h60 h ALA 488 CO 0.54 -0.26 -0.03 0.66 0.00 0.00 0.00 179.25 180.15 3h60 n TYR 489 N -3.50 0.00 1.89 0.00 4.01 -1.26 -5.07 117.16 113.23 3h60 n TYR 489 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 3h60 n TYR 489 Cb 0.30 0.00 0.90 0.00 -0.31 0.00 0.00 39.34 40.23 3h60 n TYR 489 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40