#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdu s HIS 194 N 0.00 0.49 0.63 1.43 0.00 -1.26 -5.15 115.29 111.43 3kdu s HIS 194 Ca 0.00 -0.56 -0.16 0.00 -3.00 0.00 0.00 55.06 51.34 3kdu s HIS 194 Cb 0.00 -0.31 -0.01 0.00 -4.00 0.00 0.00 32.58 28.26 3kdu s HIS 194 CO 0.00 -0.15 1.12 0.00 -1.00 0.00 0.00 174.74 174.72 3kdu s MET 195 N -1.72 2.89 0.11 -0.38 0.00 -1.26 -4.95 119.30 113.99 3kdu s MET 195 Ca -0.11 1.48 -0.34 0.00 0.00 0.00 0.00 55.69 56.71 3kdu s MET 195 Cb -0.09 -1.95 -0.14 0.00 0.00 0.00 0.00 34.83 32.65 3kdu s MET 195 CO -0.01 -1.19 1.59 -1.91 0.00 0.00 0.00 175.02 173.49 3kdu n GLU 196 N -2.16 2.01 -2.15 3.16 2.13 -1.26 -5.00 120.64 117.38 3kdu n GLU 196 Ca 0.11 0.73 -0.27 0.00 0.66 0.00 0.00 57.16 58.38 3kdu n GLU 196 Cb 0.52 -2.49 0.13 0.00 0.27 0.00 0.00 31.44 29.87 3kdu n GLU 196 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3kdu s ASP 197 N 1.28 3.88 0.50 4.31 1.47 -1.26 -4.94 116.67 121.90 3kdu s ASP 197 Ca 0.81 0.18 0.28 0.00 1.18 0.00 0.00 52.55 55.01 3kdu s ASP 197 Cb -0.72 -0.47 1.18 0.00 -0.34 0.00 0.00 42.92 42.57 3kdu s ASP 197 CO 0.41 -2.22 1.92 0.77 0.68 0.00 0.00 175.17 176.74 3kdu h SER 198 N -1.10 0.00 0.02 2.11 4.64 -1.99 -2.68 113.55 114.55 3kdu h SER 198 Ca -0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3kdu h SER 198 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kdu h SER 198 CO 0.45 0.13 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.45 3kdu h GLU 199 N 0.00 -0.03 0.00 4.77 4.22 -1.99 -0.50 114.58 121.05 3kdu h GLU 199 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 3kdu h GLU 199 Cb 0.60 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3kdu h GLU 199 CO 0.02 0.12 -0.61 1.79 -2.18 0.00 0.00 179.01 178.15 3kdu h THR 200 N -0.17 1.36 -0.71 0.32 1.35 -1.93 -1.58 112.91 111.56 3kdu h THR 200 Ca -0.00 -2.14 0.03 0.00 -0.55 0.00 0.00 66.41 63.74 3kdu h THR 200 Cb 0.16 2.18 -0.04 0.00 -1.73 0.00 0.00 68.15 68.71 3kdu h THR 200 CO 0.00 0.60 0.45 0.00 -0.25 0.00 0.00 175.52 176.32 3kdu h ALA 201 N 1.39 0.92 -0.56 6.62 0.00 -1.40 0.97 119.26 127.20 3kdu h ALA 201 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kdu h ALA 201 Cb 1.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kdu h ALA 201 CO 0.08 0.24 0.22 -0.44 0.00 0.00 0.00 179.25 179.35 3kdu h ASP 202 N 0.89 0.77 -0.37 0.00 3.45 -0.56 0.14 116.42 120.74 3kdu h ASP 202 Ca 0.28 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 3kdu h ASP 202 Cb -0.01 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 3kdu h ASP 202 CO -0.10 0.73 0.16 -0.07 -1.57 0.00 0.00 179.24 178.39 3kdu h LEU 203 N 0.76 0.49 -0.88 1.55 3.38 -0.98 -1.34 115.31 118.29 3kdu h LEU 203 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kdu h LEU 203 Cb 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3kdu h LEU 203 CO -0.02 0.51 0.48 0.11 0.09 0.00 0.00 178.44 179.61 3kdu h LYS 204 N 0.45 1.23 -0.48 1.13 1.57 -0.65 -1.99 116.57 117.81 3kdu h LYS 204 Ca 0.12 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3kdu h LYS 204 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kdu h LYS 204 CO -0.01 0.90 0.22 0.77 -0.57 0.00 0.00 179.45 180.76 3kdu h SER 205 N 1.23 0.64 -0.53 0.86 0.02 -0.53 -1.81 113.55 113.42 3kdu h SER 205 Ca 0.31 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3kdu h SER 205 Cb 0.03 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3kdu h SER 205 CO -0.05 0.60 0.34 0.25 -1.14 0.00 0.00 176.83 176.83 3kdu h LEU 206 N 0.64 0.57 -0.59 5.07 5.85 -1.03 -0.74 115.31 125.06 3kdu h LEU 206 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kdu h LEU 206 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3kdu h LEU 206 CO -0.02 0.40 0.36 0.00 -0.34 0.00 0.00 178.44 178.85 3kdu h ALA 207 N 1.22 0.75 -0.27 1.25 0.00 -1.19 -1.65 119.26 119.38 3kdu h ALA 207 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kdu h ALA 207 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kdu h ALA 207 CO -0.07 0.23 0.12 -0.22 0.00 0.00 0.00 179.25 179.31 3kdu h LYS 208 N 0.80 0.39 -0.25 0.00 3.11 -1.12 -1.09 116.57 118.42 3kdu h LYS 208 Ca 0.21 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3kdu h LYS 208 Cb -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3kdu h LYS 208 CO -0.04 0.39 0.16 0.00 -2.81 0.00 0.00 179.45 177.15 3kdu h ARG 209 N 0.29 0.34 -0.25 1.90 3.08 -0.91 0.15 114.38 118.97 3kdu h ARG 209 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3kdu h ARG 209 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kdu h ARG 209 CO -0.01 0.25 0.16 0.82 -1.07 0.00 0.00 179.97 180.12 3kdu h ILE 210 N 0.33 1.05 -0.80 2.04 2.04 -1.27 -0.47 117.51 120.43 3kdu h ILE 210 Ca 0.09 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3kdu h ILE 210 Cb -0.01 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 3kdu h ILE 210 CO -0.02 0.06 0.47 0.22 0.00 0.00 0.00 178.15 178.88 3kdu h TYR 211 N 0.32 0.86 -0.45 1.37 3.20 -1.00 -1.05 116.97 120.21 3kdu h TYR 211 Ca 0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3kdu h TYR 211 Cb -0.02 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3kdu h TYR 211 CO -0.07 0.40 0.20 0.93 -1.64 0.00 0.00 178.16 177.98 3kdu h GLU 212 N 0.83 0.65 -0.57 1.82 5.08 -0.59 -1.31 114.58 120.50 3kdu h GLU 212 Ca 0.36 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3kdu h GLU 212 Cb 0.25 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3kdu h GLU 212 CO -0.20 0.57 0.38 0.00 -1.00 0.00 0.00 179.01 178.76 3kdu h ALA 213 N 1.05 1.67 -0.14 3.43 0.00 -0.66 -1.32 119.26 123.29 3kdu h ALA 213 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3kdu h ALA 213 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kdu h ALA 213 CO -0.02 0.27 -0.25 -0.92 0.00 0.00 0.00 179.25 178.33 3kdu h TYR 214 N 0.69 0.53 -0.27 0.00 3.20 -0.73 -2.10 116.97 118.30 3kdu h TYR 214 Ca 0.22 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3kdu h TYR 214 Cb 0.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3kdu h TYR 214 CO -0.00 0.88 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.13 3kdu h LEU 215 N 0.03 0.48 -0.70 2.82 3.38 -1.05 -2.12 115.31 118.15 3kdu h LEU 215 Ca 0.01 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3kdu h LEU 215 Cb 0.84 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3kdu h LEU 215 CO 0.06 0.69 -0.43 0.50 0.09 0.00 0.00 178.44 179.34 3kdu h LYS 216 N 0.44 0.49 0.00 1.13 3.64 -1.24 -3.36 116.57 117.65 3kdu h LYS 216 Ca 0.07 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kdu h LYS 216 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3kdu h LYS 216 CO 0.04 0.83 -1.63 0.09 -2.27 0.00 0.00 179.45 176.51 3kdu n ASN 217 N -4.01 0.47 -4.15 4.20 3.02 -0.79 -4.81 115.26 109.19 3kdu n ASN 217 Ca -0.02 -0.31 -0.35 0.00 -0.03 0.00 0.00 54.58 53.88 3kdu n ASN 217 Cb 0.53 1.65 -0.13 0.00 -0.61 0.00 0.00 39.78 41.21 3kdu n ASN 217 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3kdu s PHE 218 N -3.27 3.37 0.19 3.10 0.40 -0.81 -4.77 117.98 116.18 3kdu s PHE 218 Ca -0.03 -2.09 -0.13 0.00 -0.60 0.00 0.00 56.93 54.08 3kdu s PHE 218 Cb 0.14 -2.41 0.20 0.00 0.51 0.00 0.00 43.02 41.46 3kdu s PHE 218 CO 0.85 -0.85 1.71 -0.97 0.70 0.00 0.00 175.22 176.65 3kdu h ASN 219 N 7.97 -0.05 -3.67 1.36 -0.00 -1.87 -3.38 115.58 115.94 3kdu h ASN 219 Ca -0.18 0.10 -0.62 0.00 -0.00 0.00 0.00 56.30 55.60 3kdu h ASN 219 Cb 1.05 0.15 -0.14 0.00 -0.00 0.00 0.00 38.32 39.38 3kdu h ASN 219 CO 0.56 0.00 -0.14 -0.32 -0.00 0.00 0.00 177.43 177.53 3kdu s MET 220 N -6.14 4.03 0.43 6.67 1.75 -1.26 -5.03 119.30 119.75 3kdu s MET 220 Ca -0.13 0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.50 3kdu s MET 220 Cb 0.16 -3.66 -0.02 0.00 2.84 0.00 0.00 34.83 34.15 3kdu s MET 220 CO 0.73 -0.31 0.10 0.54 -0.65 0.00 0.00 175.02 175.43 3kdu s ASN 221 N 1.60 3.07 0.10 1.11 2.20 -1.26 -5.02 114.94 116.74 3kdu s ASN 221 Ca 0.18 -1.66 -0.18 0.00 -0.94 0.00 0.00 52.86 50.25 3kdu s ASN 221 Cb -0.16 0.49 -0.06 0.00 -2.00 0.00 0.00 41.25 39.52 3kdu s ASN 221 CO 0.10 -0.91 1.59 0.50 -2.94 0.00 0.00 177.10 175.44 3kdu h LYS 222 N 1.70 0.44 -0.20 3.55 3.64 -1.95 -0.62 116.57 123.13 3kdu h LYS 222 Ca -0.37 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 3kdu h LYS 222 Cb 1.28 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 3kdu h LYS 222 CO 0.61 0.53 -0.17 0.28 -2.27 0.00 0.00 179.45 178.42 3kdu h VAL 223 N 0.27 0.54 -0.61 2.00 2.07 -1.98 0.62 116.25 119.15 3kdu h VAL 223 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3kdu h VAL 223 Cb 0.29 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3kdu h VAL 223 CO 0.00 0.00 0.28 0.11 0.02 0.00 0.00 177.57 177.98 3kdu h LYS 224 N -0.18 0.90 -0.64 1.57 1.57 -1.94 -2.19 116.57 115.66 3kdu h LYS 224 Ca 0.12 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kdu h LYS 224 Cb 0.36 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3kdu h LYS 224 CO -0.31 0.74 0.35 0.00 -0.57 0.00 0.00 179.45 179.66 3kdu h ALA 225 N 1.11 0.82 -0.03 3.86 0.00 -0.70 -2.86 119.26 121.46 3kdu h ALA 225 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3kdu h ALA 225 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kdu h ALA 225 CO -0.02 0.34 -0.50 0.00 0.00 0.00 0.00 179.25 179.07 3kdu h ARG 226 N 0.87 0.08 -0.37 0.00 2.47 -0.64 -1.13 114.38 115.67 3kdu h ARG 226 Ca 0.22 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3kdu h ARG 226 Cb 0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 3kdu h ARG 226 CO -0.04 0.56 0.22 0.28 0.56 0.00 0.00 179.97 181.56 3kdu h VAL 227 N 0.06 1.06 0.15 2.04 2.07 -1.25 -0.46 116.25 119.92 3kdu h VAL 227 Ca -0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kdu h VAL 227 Cb 0.90 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3kdu h VAL 227 CO 0.07 0.08 -0.07 0.40 0.02 0.00 0.00 177.57 178.07 3kdu h ILE 228 N 0.45 0.97 0.00 4.57 2.04 -1.28 -0.58 117.51 123.69 3kdu h ILE 228 Ca 0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3kdu h ILE 228 Cb -0.02 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3kdu h ILE 228 CO -0.06 0.13 -0.06 -0.07 0.00 0.00 0.00 178.15 178.10 3kdu h LEU 229 N -0.48 0.00 -1.28 1.44 3.38 -1.16 -0.81 115.31 116.40 3kdu h LEU 229 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kdu h LEU 229 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kdu h LEU 229 CO 0.03 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 3kdu n SER 230 N -4.08 1.95 -1.63 -0.43 3.41 -0.19 -4.96 113.62 107.69 3kdu n SER 230 Ca -0.03 -1.69 -0.13 0.00 -0.26 0.00 0.00 58.87 56.77 3kdu n SER 230 Cb 0.15 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3kdu n SER 230 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdu n GLY 231 N 1.22 -0.10 1.06 5.00 0.00 -0.31 -4.93 105.19 107.13 3kdu n GLY 231 Ca 0.17 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3kdu n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdu n LYS 232 N -2.42 3.28 0.00 1.61 4.01 -0.25 -5.04 118.16 119.35 3kdu n LYS 232 Ca -0.11 -2.83 0.00 0.00 -0.51 0.00 0.00 58.31 54.86 3kdu n LYS 232 Cb 0.60 -1.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 3kdu n LYS 232 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kdu n ALA 233 N -0.16 0.00 -3.46 7.82 0.00 -1.22 -4.93 120.51 118.57 3kdu n ALA 233 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 3kdu n ALA 233 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.30 3kdu n ALA 233 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kdu s ASN 235 N -1.00 -0.90 -0.15 0.00 2.47 -1.26 -5.10 114.94 109.01 3kdu s ASN 235 Ca 0.00 1.09 -0.05 0.00 0.42 0.00 0.00 52.86 54.32 3kdu s ASN 235 Cb 0.00 1.95 0.07 0.00 -1.45 0.00 0.00 41.25 41.83 3kdu s ASN 235 CO 0.00 -0.24 0.27 0.20 -3.72 0.00 0.00 177.10 173.61 3kdu s ASN 236 N 2.79 0.45 0.36 -4.21 0.01 -1.26 -5.14 114.94 107.94 3kdu s ASN 236 Ca 0.06 0.49 -0.28 0.00 -0.71 0.00 0.00 52.86 52.41 3kdu s ASN 236 Cb -0.13 0.72 -0.11 0.00 0.41 0.00 0.00 41.25 42.14 3kdu s ASN 236 CO -0.18 -0.25 1.43 -2.16 -1.51 0.00 0.00 177.10 174.42 3kdu s PRO 237 N 2.43 4.18 0.48 -0.60 0.04 -1.26 -4.94 135.00 135.33 3kdu s PRO 237 Ca 0.03 2.46 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 3kdu s PRO 237 Cb -0.13 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 3kdu s PRO 237 CO -0.10 -0.43 1.32 -1.25 0.04 0.00 0.00 177.00 176.59 3kdu s PRO 238 N -2.01 3.55 -0.11 0.56 0.04 -1.26 -4.93 135.00 130.85 3kdu s PRO 238 Ca 0.52 2.16 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 3kdu s PRO 238 Cb -0.44 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3kdu s PRO 238 CO 0.60 -0.84 1.53 0.12 0.04 0.00 0.00 177.00 178.45 3kdu s PHE 239 N -1.32 2.26 -0.24 0.56 5.36 -0.27 -4.71 117.98 119.62 3kdu s PHE 239 Ca 0.65 0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 56.82 3kdu s PHE 239 Cb -0.38 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.50 3kdu s PHE 239 CO 0.47 -3.10 0.94 0.08 -1.46 0.00 0.00 175.22 172.15 3kdu s VAL 240 N 3.99 4.75 -0.38 3.12 1.01 -1.26 -0.85 120.40 130.77 3kdu s VAL 240 Ca 0.67 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 64.31 3kdu s VAL 240 Cb -0.29 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.88 3kdu s VAL 240 CO 0.25 -0.15 0.27 -0.63 0.00 0.00 0.00 175.10 174.84 3kdu s ILE 241 N 3.05 5.18 0.00 2.22 1.01 0.17 -4.88 121.20 127.94 3kdu s ILE 241 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3kdu s ILE 241 Cb -0.15 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3kdu s ILE 241 CO 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 174.94 174.84 3kdu n HIS 242 N 5.12 0.00 -3.73 3.97 1.44 -1.26 -1.32 115.22 119.44 3kdu n HIS 242 Ca -0.12 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.51 3kdu n HIS 242 Cb 0.48 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.61 3kdu n HIS 242 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3kdu n ASP 243 N -0.02 -1.91 -0.08 4.39 5.68 -1.26 -4.61 116.55 118.74 3kdu n ASP 243 Ca 0.00 -2.42 -0.04 0.00 -0.50 0.00 0.00 54.79 51.83 3kdu n ASP 243 Cb 0.17 3.21 0.17 0.00 -1.14 0.00 0.00 41.12 43.52 3kdu n ASP 243 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3kdu h MET 244 N 0.00 0.72 0.07 0.11 2.86 -1.99 -0.70 114.93 116.00 3kdu h MET 244 Ca -0.29 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3kdu h MET 244 Cb 1.07 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3kdu h MET 244 CO 0.36 0.78 -0.04 1.49 1.06 0.00 0.00 176.91 180.57 3kdu h GLU 245 N 0.66 -0.10 0.00 1.72 4.81 -1.99 -1.27 114.58 118.41 3kdu h GLU 245 Ca 0.12 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3kdu h GLU 245 Cb 0.51 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3kdu h GLU 245 CO 0.03 0.16 -0.28 1.79 -0.73 0.00 0.00 179.01 179.97 3kdu h THR 246 N -0.34 1.09 -0.13 0.32 1.35 -1.88 -1.39 112.91 111.92 3kdu h THR 246 Ca -0.01 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 3kdu h THR 246 Cb 0.30 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3kdu h THR 246 CO 0.02 0.28 0.00 0.25 -0.25 0.00 0.00 175.52 175.81 3kdu h LEU 247 N 0.00 0.22 -0.71 3.87 5.85 -0.98 -0.94 115.31 122.62 3kdu h LEU 247 Ca -0.00 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3kdu h LEU 247 Cb 0.54 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3kdu h LEU 247 CO 0.04 0.47 0.43 0.00 -0.34 0.00 0.00 178.44 179.04 3kdu h MET 249 N 0.81 0.41 -0.52 0.00 1.85 -1.21 -2.67 114.93 113.61 3kdu h MET 249 Ca 0.30 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 59.29 3kdu h MET 249 Cb 0.10 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 3kdu h MET 249 CO -0.14 0.45 0.22 0.00 -0.40 0.00 0.00 176.91 177.04 3kdu h ALA 250 N 0.94 1.41 -0.14 0.39 0.00 -0.88 -1.17 119.26 119.81 3kdu h ALA 250 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kdu h ALA 250 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kdu h ALA 250 CO -0.01 0.45 -0.05 0.93 0.00 0.00 0.00 179.25 180.57 3kdu h GLU 251 N 0.73 0.20 0.00 0.00 5.08 -0.96 0.32 114.58 119.95 3kdu h GLU 251 Ca 0.18 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 3kdu h GLU 251 Cb 0.13 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3kdu h GLU 251 CO -0.02 0.27 -0.86 0.87 -1.00 0.00 0.00 179.01 178.27 3kdu h LYS 252 N 0.20 0.04 0.00 2.33 1.57 -0.90 -3.26 116.57 116.55 3kdu h LYS 252 Ca 0.05 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3kdu h LYS 252 Cb 0.22 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3kdu h LYS 252 CO 0.01 0.87 -1.86 0.25 -0.57 0.00 0.00 179.45 178.15 3kdu n THR 253 N -3.56 0.85 0.23 -0.16 -2.24 -0.76 -4.71 114.28 103.93 3kdu n THR 253 Ca -0.01 -0.53 0.08 0.00 -2.27 0.00 0.00 64.05 61.32 3kdu n THR 253 Cb 0.81 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 3kdu n THR 253 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kdu n LEU 254 N -2.46 0.23 -4.50 3.22 4.77 0.11 -5.08 117.00 113.29 3kdu n LEU 254 Ca -0.20 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.38 3kdu n LEU 254 Cb 0.90 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.90 3kdu n LEU 254 CO 0.27 0.06 -0.46 0.68 -1.33 0.00 0.00 177.39 176.61 3kdu s VAL 255 N -3.00 2.69 -0.37 4.08 -7.23 -1.21 -4.99 120.40 110.37 3kdu s VAL 255 Ca -0.02 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 57.96 3kdu s VAL 255 Cb 0.11 -2.39 0.12 0.00 0.56 0.00 0.00 36.38 34.78 3kdu s VAL 255 CO 0.70 -0.32 0.16 0.68 -0.31 0.00 0.00 175.10 176.00 3kdu s VAL 259 N -2.26 1.29 -0.91 1.32 -7.23 -1.26 -4.65 120.40 106.70 3kdu s VAL 259 Ca 0.28 -2.04 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 3kdu s VAL 259 Cb -0.06 -1.94 0.07 0.00 0.56 0.00 0.00 36.38 35.00 3kdu s VAL 259 CO 0.15 -0.76 1.30 0.00 -0.31 0.00 0.00 175.10 175.47 3kdu s ALA 260 N 0.96 2.90 -2.22 1.32 0.00 -1.26 -4.78 121.76 118.68 3kdu s ALA 260 Ca 0.13 -2.16 0.26 0.00 0.00 0.00 0.00 51.96 50.19 3kdu s ALA 260 Cb -0.21 -4.31 1.27 0.00 0.00 0.00 0.00 23.12 19.88 3kdu s ALA 260 CO -0.12 -3.34 1.85 0.09 0.00 0.00 0.00 175.76 174.25 3kdu n ASN 261 N 8.36 0.81 0.03 0.00 3.02 -1.26 -3.77 115.26 122.44 3kdu n ASN 261 Ca 0.22 -1.37 0.12 0.00 -0.03 0.00 0.00 54.58 53.52 3kdu n ASN 261 Cb 0.50 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.76 3kdu n ASN 261 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdu n GLY 262 N 1.05 -1.27 0.19 7.41 0.00 -1.26 -4.23 105.19 107.07 3kdu n GLY 262 Ca 0.19 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.92 3kdu n GLY 262 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kdu n ILE 263 N -1.88 0.00 -0.33 -0.61 -6.64 -1.25 -4.77 119.36 103.89 3kdu n ILE 263 Ca 0.03 -0.31 0.24 0.00 -1.77 0.00 0.00 62.75 60.94 3kdu n ILE 263 Cb 0.41 1.10 0.47 0.00 -1.44 0.00 0.00 39.64 40.18 3kdu n ILE 263 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 3kdu h GLN 264 N 0.94 0.19 -0.33 6.28 5.75 -1.74 -0.91 115.11 125.30 3kdu h GLN 264 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3kdu h GLN 264 Cb 0.39 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3kdu h GLN 264 CO 0.00 0.13 0.00 0.09 -2.65 0.00 0.00 178.83 176.40 3kdu n ASN 265 N -5.16 3.25 -4.89 -0.69 5.03 -1.26 -4.97 115.26 106.57 3kdu n ASN 265 Ca 0.32 -1.94 -0.30 0.00 0.87 0.00 0.00 54.58 53.53 3kdu n ASN 265 Cb 1.02 -0.21 0.05 0.00 -1.02 0.00 0.00 39.78 39.62 3kdu n ASN 265 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3kdu s LYS 266 N -1.41 2.77 0.40 3.52 1.02 -0.35 -5.02 119.74 120.68 3kdu s LYS 266 Ca 0.34 0.43 -0.27 0.00 0.02 0.00 0.00 55.97 56.49 3kdu s LYS 266 Cb 0.20 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 3kdu s LYS 266 CO 0.28 -1.09 1.40 -2.00 -0.92 0.00 0.00 175.35 173.02 3kdu s GLU 267 N -5.38 3.97 0.23 1.68 2.12 -1.26 -4.78 118.70 115.28 3kdu s GLU 267 Ca 0.59 2.37 -0.07 0.00 0.36 0.00 0.00 54.97 58.21 3kdu s GLU 267 Cb -0.11 -2.83 0.39 0.00 0.26 0.00 0.00 34.13 31.84 3kdu s GLU 267 CO 0.51 -0.57 1.68 0.00 -0.54 0.00 0.00 175.26 176.34 3kdu h ALA 268 N 2.75 0.80 -0.91 6.30 0.00 -1.96 0.66 119.26 126.90 3kdu h ALA 268 Ca -0.50 0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.75 3kdu h ALA 268 Cb 1.25 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 3kdu h ALA 268 CO 0.63 -0.36 0.51 0.93 0.00 0.00 0.00 179.25 180.95 3kdu h GLU 269 N 0.20 0.66 -0.00 0.00 3.07 -1.99 -1.36 114.58 115.16 3kdu h GLU 269 Ca 0.38 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.94 3kdu h GLU 269 Cb 0.63 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3kdu h GLU 269 CO -0.52 0.44 -1.00 0.28 -1.40 0.00 0.00 179.01 176.81 3kdu h VAL 270 N 0.68 1.29 -0.67 3.13 2.07 -1.30 -2.34 116.25 119.11 3kdu h VAL 270 Ca 0.51 -2.23 0.03 0.00 0.82 0.00 0.00 66.70 65.84 3kdu h VAL 270 Cb 0.75 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 3kdu h VAL 270 CO -0.37 0.69 0.41 0.03 0.02 0.00 0.00 177.57 178.35 3kdu h ARG 271 N 0.35 0.78 -0.22 1.57 3.08 -0.70 -1.25 114.38 117.99 3kdu h ARG 271 Ca -0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3kdu h ARG 271 Cb 1.66 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 3kdu h ARG 271 CO 0.20 0.52 0.10 0.82 -1.07 0.00 0.00 179.97 180.54 3kdu h ILE 272 N 0.81 1.14 -0.73 2.04 2.04 -1.27 -1.72 117.51 119.82 3kdu h ILE 272 Ca 0.27 -0.39 0.15 0.00 1.00 0.00 0.00 64.86 65.90 3kdu h ILE 272 Cb 0.04 1.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 3kdu h ILE 272 CO -0.11 0.13 0.21 0.15 0.00 0.00 0.00 178.15 178.52 3kdu h PHE 273 N 0.22 0.33 -0.41 1.37 3.57 -1.12 0.48 116.94 121.38 3kdu h PHE 273 Ca 0.07 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 3kdu h PHE 273 Cb 0.12 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3kdu h PHE 273 CO -0.02 -0.05 -0.25 0.45 -2.23 0.00 0.00 178.31 176.21 3kdu h HIS 274 N 0.31 0.98 -0.68 0.41 3.86 -0.92 -2.05 115.15 117.05 3kdu h HIS 274 Ca 0.41 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3kdu h HIS 274 Cb 0.69 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3kdu h HIS 274 CO -0.24 1.00 0.26 0.00 0.86 0.00 0.00 177.93 179.82 3kdu h GLN 277 N 1.04 0.84 -0.27 0.00 4.20 -1.12 0.48 115.11 120.27 3kdu h GLN 277 Ca 0.26 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.76 3kdu h GLN 277 Cb 0.08 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3kdu h GLN 277 CO -0.04 0.85 0.06 0.00 -0.67 0.00 0.00 178.83 179.03 3kdu h THR 279 N 0.16 1.15 -0.86 0.00 2.02 -1.11 -2.28 112.91 111.99 3kdu h THR 279 Ca 0.12 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3kdu h THR 279 Cb 0.12 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3kdu h THR 279 CO -0.16 0.13 0.55 0.77 0.37 0.00 0.00 175.52 177.18 3kdu h SER 280 N -0.05 0.92 -0.85 4.18 4.64 -0.82 -1.10 113.55 120.46 3kdu h SER 280 Ca 0.02 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3kdu h SER 280 Cb 0.18 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 3kdu h SER 280 CO -0.00 0.63 0.47 0.58 -0.87 0.00 0.00 176.83 177.64 3kdu h VAL 281 N 1.07 1.25 -0.36 0.95 2.07 -1.04 -0.99 116.25 119.21 3kdu h VAL 281 Ca 0.34 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3kdu h VAL 281 Cb 0.01 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3kdu h VAL 281 CO -0.12 0.28 0.21 -0.33 0.02 0.00 0.00 177.57 177.63 3kdu h GLU 282 N 1.19 0.42 -0.25 1.57 5.08 -0.81 -2.55 114.58 119.23 3kdu h GLU 282 Ca 0.30 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3kdu h GLU 282 Cb 0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3kdu h GLU 282 CO -0.05 0.28 -0.18 1.15 -1.00 0.00 0.00 179.01 179.21 3kdu h THR 283 N 0.43 1.24 -0.71 1.13 2.02 -0.79 -1.68 112.91 114.56 3kdu h THR 283 Ca 0.14 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 3kdu h THR 283 Cb -0.00 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3kdu h THR 283 CO -0.06 0.35 0.29 0.58 0.37 0.00 0.00 175.52 177.05 3kdu h VAL 284 N 0.40 1.24 -0.39 3.16 2.07 -1.06 0.11 116.25 121.77 3kdu h VAL 284 Ca 0.07 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3kdu h VAL 284 Cb 0.54 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3kdu h VAL 284 CO 0.04 0.30 0.17 0.74 0.02 0.00 0.00 177.57 178.84 3kdu h THR 285 N 1.00 1.18 -0.64 2.57 2.02 -1.14 -1.98 112.91 115.92 3kdu h THR 285 Ca 0.24 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3kdu h THR 285 Cb 0.19 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3kdu h THR 285 CO -0.02 0.20 0.35 -0.33 0.37 0.00 0.00 175.52 176.09 3kdu h GLU 286 N 0.49 0.90 -0.52 6.66 5.08 -1.03 -2.41 114.58 123.75 3kdu h GLU 286 Ca 0.13 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kdu h GLU 286 Cb 0.16 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3kdu h GLU 286 CO -0.01 0.68 0.11 -0.07 -1.00 0.00 0.00 179.01 178.72 3kdu h LEU 287 N 0.87 0.74 -0.15 1.33 3.38 -0.71 0.65 115.31 121.43 3kdu h LEU 287 Ca 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kdu h LEU 287 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kdu h LEU 287 CO -0.04 0.74 0.05 0.74 0.09 0.00 0.00 178.44 180.02 3kdu h THR 288 N 0.76 1.19 -0.54 0.22 2.02 -1.15 0.78 112.91 116.19 3kdu h THR 288 Ca 0.17 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3kdu h THR 288 Cb 0.30 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3kdu h THR 288 CO 0.00 0.17 0.35 -0.33 0.37 0.00 0.00 175.52 176.09 3kdu h GLU 289 N 0.06 0.72 -0.24 6.66 3.07 -1.24 -1.60 114.58 122.01 3kdu h GLU 289 Ca 0.05 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3kdu h GLU 289 Cb 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3kdu h GLU 289 CO -0.00 0.49 0.05 0.35 -1.40 0.00 0.00 179.01 178.50 3kdu h PHE 290 N 0.73 0.08 -0.66 4.33 3.57 -0.74 -2.85 116.94 121.41 3kdu h PHE 290 Ca 0.20 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3kdu h PHE 290 Cb -0.07 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3kdu h PHE 290 CO -0.03 0.02 0.43 0.00 -2.23 0.00 0.00 178.31 176.50 3kdu h ALA 291 N 1.18 0.84 0.00 2.41 0.00 -0.57 -1.57 119.26 121.54 3kdu h ALA 291 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kdu h ALA 291 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kdu h ALA 291 CO -0.15 0.24 -0.02 0.87 0.00 0.00 0.00 179.25 180.20 3kdu h LYS 292 N 0.87 0.00 -0.01 0.00 1.57 -1.15 -1.17 116.57 116.68 3kdu h LYS 292 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kdu h LYS 292 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kdu h LYS 292 CO -0.06 0.02 -0.28 0.00 -0.57 0.00 0.00 179.45 178.55 3kdu n ALA 293 N -2.18 3.14 -2.54 3.86 0.00 -0.62 -4.51 120.51 117.66 3kdu n ALA 293 Ca -0.03 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 3kdu n ALA 293 Cb 0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 3kdu n ALA 293 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kdu s ILE 294 N -2.48 4.43 0.14 0.00 1.01 -0.44 -4.82 121.20 119.04 3kdu s ILE 294 Ca 0.24 1.70 -0.34 0.00 0.00 0.00 0.00 60.65 62.25 3kdu s ILE 294 Cb 0.19 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 3kdu s ILE 294 CO 0.52 -0.27 1.58 -2.65 0.00 0.00 0.00 174.94 174.12 3kdu n PRO 295 N 6.68 2.07 0.00 2.79 -0.02 -1.26 -1.14 135.00 144.12 3kdu n PRO 295 Ca 0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3kdu n PRO 295 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3kdu n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdu n GLY 296 N 3.42 2.98 0.22 -1.23 0.00 -1.26 -4.92 105.19 104.39 3kdu n GLY 296 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 3kdu n GLY 296 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kdu h PHE 297 N 0.00 0.58 0.00 1.61 3.57 -1.40 -1.74 116.94 119.57 3kdu h PHE 297 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kdu h PHE 297 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3kdu h PHE 297 CO 0.00 0.33 -0.01 0.00 -2.23 0.00 0.00 178.31 176.40 3kdu h ALA 298 N 1.24 1.24 0.00 2.41 0.00 -1.79 -1.89 119.26 120.47 3kdu h ALA 298 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kdu h ALA 298 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kdu h ALA 298 CO -0.10 0.01 -0.24 0.09 0.00 0.00 0.00 179.25 179.01 3kdu n ASN 299 N -3.44 0.35 -4.77 0.00 3.02 -0.66 -4.87 115.26 104.89 3kdu n ASN 299 Ca -0.03 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.41 3kdu n ASN 299 Cb 0.09 -0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.09 3kdu n ASN 299 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kdu s LEU 300 N -3.34 3.44 0.25 3.41 1.43 -0.71 -4.95 118.68 118.20 3kdu s LEU 300 Ca 0.12 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 3kdu s LEU 300 Cb 0.17 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.69 3kdu s LEU 300 CO 0.62 -1.56 1.08 -0.67 0.23 0.00 0.00 176.35 176.04 3kdu n ASP 301 N -2.26 1.37 -0.24 2.29 2.03 -1.26 -4.79 116.55 113.68 3kdu n ASP 301 Ca 0.10 1.16 -0.05 0.00 0.52 0.00 0.00 54.79 56.53 3kdu n ASP 301 Cb 0.52 -1.27 0.06 0.00 -0.72 0.00 0.00 41.12 39.71 3kdu n ASP 301 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3kdu h LEU 302 N 2.58 0.74 -1.18 -2.67 3.38 -1.92 -1.45 115.31 114.79 3kdu h LEU 302 Ca -0.41 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3kdu h LEU 302 Cb 1.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3kdu h LEU 302 CO 0.65 0.53 -0.02 0.78 0.09 0.00 0.00 178.44 180.46 3kdu h ASN 303 N 0.88 0.51 -0.04 -0.43 2.35 -2.01 -2.61 115.58 114.23 3kdu h ASN 303 Ca 0.26 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3kdu h ASN 303 Cb -0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3kdu h ASN 303 CO -0.07 0.59 -0.24 0.44 -1.65 0.00 0.00 177.43 176.50 3kdu h ASP 304 N 0.51 0.46 -0.23 5.81 5.19 -1.66 -1.80 116.42 124.70 3kdu h ASP 304 Ca 0.11 -0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3kdu h ASP 304 Cb 0.37 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 3kdu h ASP 304 CO 0.01 0.69 0.09 1.56 -3.12 0.00 0.00 179.24 178.48 3kdu h GLN 305 N 0.41 0.20 -0.59 3.56 4.20 -0.93 -0.38 115.11 121.58 3kdu h GLN 305 Ca 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3kdu h GLN 305 Cb 0.64 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3kdu h GLN 305 CO 0.05 0.13 0.32 0.28 -0.67 0.00 0.00 178.83 178.94 3kdu h VAL 306 N 0.20 1.19 -0.53 -0.54 2.07 -1.37 -2.46 116.25 114.82 3kdu h VAL 306 Ca 0.10 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3kdu h VAL 306 Cb 0.05 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3kdu h VAL 306 CO -0.09 0.21 0.18 0.74 0.02 0.00 0.00 177.57 178.63 3kdu h THR 307 N 0.79 1.23 -0.55 2.57 2.02 -1.10 -0.63 112.91 117.25 3kdu h THR 307 Ca 0.21 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.63 3kdu h THR 307 Cb 0.04 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3kdu h THR 307 CO -0.03 0.28 0.36 -0.07 0.37 0.00 0.00 175.52 176.43 3kdu h LEU 308 N 0.72 0.62 -0.57 2.58 3.38 -0.97 -2.37 115.31 118.71 3kdu h LEU 308 Ca 0.17 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3kdu h LEU 308 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kdu h LEU 308 CO -0.01 0.45 -0.23 -0.07 0.09 0.00 0.00 178.44 178.67 3kdu h LEU 309 N 0.73 0.93 -0.12 1.67 3.38 -1.32 0.51 115.31 121.09 3kdu h LEU 309 Ca 0.20 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3kdu h LEU 309 Cb -0.07 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3kdu h LEU 309 CO -0.05 1.12 -0.22 0.50 0.09 0.00 0.00 178.44 179.87 3kdu h LYS 310 N 0.78 -0.28 0.00 1.13 3.64 -0.87 -0.30 116.57 120.66 3kdu h LYS 310 Ca 0.10 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3kdu h LYS 310 Cb 0.79 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3kdu h LYS 310 CO 0.07 -0.19 -0.45 0.66 -2.27 0.00 0.00 179.45 177.27 3kdu n TYR 311 N -5.36 0.36 -0.05 1.91 4.02 -0.91 -4.22 117.16 112.92 3kdu n TYR 311 Ca -0.03 0.10 -0.03 0.00 -0.01 0.00 0.00 57.90 57.94 3kdu n TYR 311 Cb 0.27 -0.54 -0.15 0.00 -0.02 0.00 0.00 39.34 38.90 3kdu n TYR 311 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kdu n GLY 312 N 1.40 -1.04 0.21 2.72 0.00 0.17 -4.68 105.19 103.97 3kdu n GLY 312 Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 3kdu n GLY 312 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kdu h VAL 313 N 0.00 1.05 -0.24 1.61 -1.51 -1.23 -2.38 116.25 113.55 3kdu h VAL 313 Ca -0.32 -0.21 -0.13 0.00 -1.23 0.00 0.00 66.70 64.80 3kdu h VAL 313 Cb 1.79 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 3kdu h VAL 313 CO 0.03 0.11 -0.40 1.88 -1.23 0.00 0.00 177.57 177.96 3kdu h TYR 314 N 0.61 0.67 -0.42 5.19 -1.99 -1.85 0.31 116.97 119.50 3kdu h TYR 314 Ca 0.21 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3kdu h TYR 314 Cb 0.03 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 3kdu h TYR 314 CO -0.07 0.88 0.26 0.93 -0.00 0.00 0.00 178.16 180.17 3kdu h GLU 315 N 0.47 0.56 -0.55 4.88 5.08 -1.81 -1.51 114.58 121.70 3kdu h GLU 315 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kdu h GLU 315 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3kdu h GLU 315 CO 0.08 0.40 0.24 0.00 -1.00 0.00 0.00 179.01 178.73 3kdu h ALA 316 N 1.13 0.71 -0.31 3.43 0.00 -1.13 -1.39 119.26 121.69 3kdu h ALA 316 Ca 0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kdu h ALA 316 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3kdu h ALA 316 CO -0.03 0.30 0.07 0.82 0.00 0.00 0.00 179.25 180.41 3kdu h ILE 317 N 0.74 0.86 0.01 0.00 2.04 -0.16 -1.36 117.51 119.64 3kdu h ILE 317 Ca 0.19 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.78 3kdu h ILE 317 Cb 0.16 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3kdu h ILE 317 CO -0.02 0.03 -0.90 -0.26 0.00 0.00 0.00 178.15 177.00 3kdu h PHE 318 N 0.19 0.32 -0.02 1.37 0.04 -1.19 0.16 116.94 117.81 3kdu h PHE 318 Ca 0.15 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.77 3kdu h PHE 318 Cb 0.15 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3kdu h PHE 318 CO -0.17 1.01 -0.20 0.00 -0.60 0.00 0.00 178.31 178.34 3kdu h ALA 319 N 0.93 -0.24 -0.07 2.45 0.00 -1.18 -3.08 119.26 118.08 3kdu h ALA 319 Ca -0.05 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3kdu h ALA 319 Cb 1.54 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3kdu h ALA 319 CO 0.14 -0.69 -0.63 0.52 0.00 0.00 0.00 179.25 178.59 3kdu h MET 320 N -0.31 0.26 -0.43 0.00 2.86 -1.10 -2.97 114.93 113.24 3kdu h MET 320 Ca 0.07 -0.19 0.13 0.00 -2.06 0.00 0.00 59.70 57.65 3kdu h MET 320 Cb 0.40 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3kdu h MET 320 CO -0.21 0.80 0.32 1.25 1.06 0.00 0.00 176.91 180.14 3kdu h LEU 321 N 0.19 0.00 -1.71 1.22 5.85 -0.64 -0.85 115.31 119.37 3kdu h LEU 321 Ca -0.01 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3kdu h LEU 321 Cb 1.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3kdu h LEU 321 CO 0.10 0.00 0.38 0.28 -0.34 0.00 0.00 178.44 178.86 3kdu h SER 322 N 0.00 0.29 -0.03 1.25 0.02 -1.43 -2.29 113.55 111.37 3kdu h SER 322 Ca 0.21 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3kdu h SER 322 Cb 0.85 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3kdu h SER 322 CO -0.00 0.18 -0.05 0.28 -1.14 0.00 0.00 176.83 176.09 3kdu h SER 323 N 0.33 0.19 -0.50 3.07 0.02 -1.33 -2.52 113.55 112.80 3kdu h SER 323 Ca 0.26 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3kdu h SER 323 Cb 0.59 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3kdu h SER 323 CO -0.06 0.28 0.00 1.33 -1.14 0.00 0.00 176.83 177.23 3kdu n VAL 324 N -4.36 0.65 -4.36 2.27 0.24 -0.87 -4.60 118.33 107.30 3kdu n VAL 324 Ca -0.01 -0.76 -0.33 0.00 -2.04 0.00 0.00 64.34 61.20 3kdu n VAL 324 Cb 0.20 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 3kdu n VAL 324 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3kdu s MET 325 N -1.35 2.76 0.15 7.34 -1.94 -0.95 -1.14 119.30 124.17 3kdu s MET 325 Ca 0.40 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 3kdu s MET 325 Cb 0.22 -2.65 -0.00 0.00 2.01 0.00 0.00 34.83 34.41 3kdu s MET 325 CO 0.30 0.64 0.02 0.27 -0.01 0.00 0.00 175.02 176.24 3kdu n ASN 326 N 1.60 1.74 0.24 3.03 0.23 -0.22 -4.98 115.26 116.90 3kdu n ASN 326 Ca -0.16 -1.71 0.17 0.00 -0.53 0.00 0.00 54.58 52.35 3kdu n ASN 326 Cb 0.53 0.23 0.78 0.00 -2.08 0.00 0.00 39.78 39.24 3kdu n ASN 326 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3kdu h LYS 327 N 0.00 0.00 0.00 -3.83 2.10 -2.00 -3.04 116.57 109.80 3kdu h LYS 327 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3kdu h LYS 327 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 3kdu h LYS 327 CO 0.19 0.00 -1.58 -0.25 -2.00 0.00 0.00 179.45 175.81 3kdu n ASP 328 N -2.75 0.76 0.00 7.07 8.00 -1.26 -4.87 116.55 123.50 3kdu n ASP 328 Ca -0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3kdu n ASP 328 Cb 0.17 1.62 0.00 0.00 -0.02 0.00 0.00 41.12 42.89 3kdu n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdu n GLY 329 N 1.44 -1.28 2.99 0.44 0.00 -1.15 -0.61 105.19 107.02 3kdu n GLY 329 Ca -0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3kdu n GLY 329 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kdu s MET 330 N -1.29 0.30 0.27 1.61 0.23 -0.64 -1.05 119.30 118.73 3kdu s MET 330 Ca 0.00 -0.46 -0.29 0.00 -1.03 0.00 0.00 55.69 53.91 3kdu s MET 330 Cb 0.00 0.11 -0.10 0.00 -1.53 0.00 0.00 34.83 33.32 3kdu s MET 330 CO 0.00 -0.06 1.30 -0.51 -2.03 0.00 0.00 175.02 173.73 3kdu s LEU 331 N -1.20 4.43 0.36 0.18 1.43 -0.29 -1.61 118.68 121.97 3kdu s LEU 331 Ca -0.13 2.54 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 3kdu s LEU 331 Cb -0.08 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3kdu s LEU 331 CO -0.00 -0.51 0.09 0.68 0.23 0.00 0.00 176.35 176.84 3kdu s VAL 332 N -0.59 0.86 -1.32 -1.59 -7.23 0.10 -4.85 120.40 105.79 3kdu s VAL 332 Ca 0.52 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3kdu s VAL 332 Cb -0.38 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 3kdu s VAL 332 CO 0.46 0.00 0.59 0.00 -0.31 0.00 0.00 175.10 175.83 3kdu n ALA 333 N -0.76 -2.09 -3.34 1.32 0.00 -1.26 -1.82 120.51 112.55 3kdu n ALA 333 Ca -0.04 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 3kdu n ALA 333 Cb 0.66 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 18.09 3kdu n ALA 333 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kdu n TYR 334 N -4.30 -2.40 0.00 0.00 4.02 -1.26 -1.78 117.16 111.44 3kdu n TYR 334 Ca -0.28 0.77 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 3kdu n TYR 334 Cb 0.67 -4.67 0.00 0.00 -0.02 0.00 0.00 39.34 35.32 3kdu n TYR 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kdu n GLY 335 N -1.75 2.00 0.07 2.72 0.00 -0.90 -4.91 105.19 102.44 3kdu n GLY 335 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3kdu n GLY 335 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kdu n ASN 336 N 0.00 0.40 -4.20 1.61 5.03 -0.73 -4.61 115.26 112.76 3kdu n ASN 336 Ca 0.00 -0.30 -0.12 0.00 0.87 0.00 0.00 54.58 55.03 3kdu n ASN 336 Cb 0.00 -0.09 -0.10 0.00 -1.02 0.00 0.00 39.78 38.57 3kdu n ASN 336 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kdu s GLY 337 N -2.68 0.92 -0.13 7.41 0.00 -0.76 -1.11 107.32 110.97 3kdu s GLY 337 Ca 0.22 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3kdu s GLY 337 CO 0.53 -1.50 0.17 -0.12 0.00 0.00 0.00 173.10 172.18 3kdu s PHE 338 N -3.57 -0.16 -0.16 1.90 5.36 -0.03 -0.72 117.98 120.60 3kdu s PHE 338 Ca 0.15 0.37 -0.07 0.00 -0.96 0.00 0.00 56.93 56.42 3kdu s PHE 338 Cb 0.05 -0.35 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 3kdu s PHE 338 CO -0.02 -0.41 0.09 -1.50 -1.46 0.00 0.00 175.22 171.92 3kdu s ILE 339 N 2.28 5.03 0.29 3.12 2.07 -0.64 0.41 121.20 133.77 3kdu s ILE 339 Ca 0.04 0.04 -0.21 0.00 -1.41 0.00 0.00 60.65 59.11 3kdu s ILE 339 Cb -0.14 -3.23 -0.09 0.00 0.13 0.00 0.00 42.46 39.13 3kdu s ILE 339 CO -0.08 0.52 0.82 0.42 -1.91 0.00 0.00 174.94 174.71 3kdu s THR 340 N -0.17 4.46 0.24 4.00 -4.23 -0.44 -1.61 115.64 117.89 3kdu s THR 340 Ca 0.08 1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.95 3kdu s THR 340 Cb -0.12 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 70.11 3kdu s THR 340 CO 0.01 0.06 1.88 -0.09 -0.54 0.00 0.00 174.62 175.94 3kdu h ARG 341 N 2.97 1.08 -0.61 3.99 2.43 -1.20 -2.57 114.38 120.48 3kdu h ARG 341 Ca -0.48 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3kdu h ARG 341 Cb 1.19 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3kdu h ARG 341 CO 0.65 0.72 0.39 1.49 -1.51 0.00 0.00 179.97 181.70 3kdu h GLU 342 N 1.12 0.82 -0.33 0.20 4.81 -1.93 -2.07 114.58 117.19 3kdu h GLU 342 Ca 0.36 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3kdu h GLU 342 Cb 0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3kdu h GLU 342 CO -0.13 0.56 0.18 0.35 -0.73 0.00 0.00 179.01 179.25 3kdu h PHE 343 N 0.83 0.45 -0.92 0.92 3.57 -1.76 -2.11 116.94 117.92 3kdu h PHE 343 Ca 0.22 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3kdu h PHE 343 Cb -0.06 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 3kdu h PHE 343 CO -0.03 0.35 0.58 -0.07 -2.23 0.00 0.00 178.31 176.92 3kdu h LEU 344 N 0.41 0.93 -1.73 0.59 3.38 -1.31 -1.51 115.31 116.07 3kdu h LEU 344 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kdu h LEU 344 Cb 0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kdu h LEU 344 CO -0.02 0.60 -0.03 0.11 0.09 0.00 0.00 178.44 179.20 3kdu h LYS 345 N 1.07 0.00 0.00 1.13 1.57 -1.09 -3.06 116.57 116.19 3kdu h LYS 345 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kdu h LYS 345 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kdu h LYS 345 CO -0.16 0.03 -0.17 -1.13 -0.57 0.00 0.00 179.45 177.45 3kdu n SER 346 N -3.15 0.35 -4.73 0.86 3.41 -0.57 -4.83 113.62 104.95 3kdu n SER 346 Ca -0.00 0.33 -0.31 0.00 -0.26 0.00 0.00 58.87 58.63 3kdu n SER 346 Cb 0.27 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 63.99 3kdu n SER 346 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kdu s LEU 347 N -3.47 2.73 0.66 1.04 1.43 -1.16 -5.01 118.68 114.91 3kdu s LEU 347 Ca 0.12 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 3kdu s LEU 347 Cb 0.17 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 3kdu s LEU 347 CO 0.60 -2.40 1.06 0.00 0.23 0.00 0.00 176.35 175.84 3kdu s ARG 348 N -4.87 3.03 0.41 1.70 1.70 -1.26 -4.13 118.95 115.52 3kdu s ARG 348 Ca 0.63 1.10 -0.26 0.00 -0.47 0.00 0.00 55.73 56.72 3kdu s ARG 348 Cb -0.18 -2.00 -0.09 0.00 -0.57 0.00 0.00 34.95 32.11 3kdu s ARG 348 CO 0.57 -1.04 1.32 0.15 -1.08 0.00 0.00 175.30 175.22 3kdu s LYS 349 N -4.58 3.95 0.00 3.89 1.02 -1.26 -0.88 119.74 121.88 3kdu s LYS 349 Ca 0.61 2.19 0.25 0.00 0.02 0.00 0.00 55.97 59.04 3kdu s LYS 349 Cb -0.15 -2.76 1.14 0.00 -0.52 0.00 0.00 37.83 35.54 3kdu s LYS 349 CO 0.47 -0.52 1.78 -0.35 -0.92 0.00 0.00 175.35 175.81 3kdu n PRO 350 N 0.11 1.46 0.07 -1.68 -0.04 -1.26 -4.93 135.00 128.74 3kdu n PRO 350 Ca 0.04 -0.68 -0.03 0.00 -0.04 0.00 0.00 63.50 62.79 3kdu n PRO 350 Cb 0.43 -1.43 0.20 0.00 -0.04 0.00 0.00 33.50 32.66 3kdu n PRO 350 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3kdu h PHE 351 N 1.53 0.35 0.00 0.54 -1.00 -1.34 -2.60 116.94 114.43 3kdu h PHE 351 Ca 0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3kdu h PHE 351 Cb 0.33 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3kdu h PHE 351 CO 0.03 0.67 0.00 0.00 -1.61 0.00 0.00 178.31 177.40 3kdu n ASP 353 N -2.96 1.08 -0.08 0.00 10.43 -0.98 -4.42 116.55 119.62 3kdu n ASP 353 Ca -0.00 -1.01 -0.13 0.00 2.57 0.00 0.00 54.79 56.21 3kdu n ASP 353 Cb 0.21 0.08 -0.10 0.00 1.84 0.00 0.00 41.12 43.15 3kdu n ASP 353 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3kdu h ILE 354 N 1.42 1.16 0.09 0.53 2.04 -1.67 -3.41 117.51 117.67 3kdu h ILE 354 Ca 0.00 -1.99 -0.27 0.00 1.00 0.00 0.00 64.86 63.60 3kdu h ILE 354 Cb 0.48 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3kdu h ILE 354 CO 0.00 0.39 -1.31 0.24 0.00 0.00 0.00 178.15 177.48 3kdu h MET 355 N -1.00 0.19 -0.59 2.37 2.86 -1.79 -3.38 114.93 113.59 3kdu h MET 355 Ca -0.08 -0.32 0.12 0.00 -2.06 0.00 0.00 59.70 57.35 3kdu h MET 355 Cb 0.87 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.54 3kdu h MET 355 CO -0.05 1.10 -0.14 1.49 1.06 0.00 0.00 176.91 180.36 3kdu h GLU 356 N 0.05 0.00 -0.24 1.72 4.57 -1.78 0.17 114.58 119.08 3kdu h GLU 356 Ca -0.15 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3kdu h GLU 356 Cb 1.94 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.52 3kdu h GLU 356 CO 0.17 0.00 0.18 -1.00 -1.18 0.00 0.00 179.01 177.18 3kdu h PRO 357 N 0.00 0.00 -0.27 0.92 0.13 -1.79 0.07 132.00 131.07 3kdu h PRO 357 Ca 0.28 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.27 3kdu h PRO 357 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 3kdu h PRO 357 CO -0.60 0.00 -0.40 0.87 -0.23 0.00 0.00 178.00 177.63 3kdu h LYS 358 N 0.00 0.74 -0.77 0.86 6.56 -0.91 -1.48 116.57 121.57 3kdu h LYS 358 Ca 0.11 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 3kdu h LYS 358 Cb 0.48 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.14 3kdu h LYS 358 CO -0.00 1.07 0.48 0.74 -2.06 0.00 0.00 179.45 179.68 3kdu h PHE 359 N 0.48 1.00 -0.45 -1.35 0.04 -0.42 0.87 116.94 117.11 3kdu h PHE 359 Ca 0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3kdu h PHE 359 Cb 1.00 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 3kdu h PHE 359 CO 0.08 0.66 0.28 -0.44 -0.60 0.00 0.00 178.31 178.28 3kdu h ASP 360 N 1.05 0.53 0.07 2.17 3.45 -0.92 -1.26 116.42 121.51 3kdu h ASP 360 Ca 0.28 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.69 3kdu h ASP 360 Cb -0.07 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 3kdu h ASP 360 CO -0.06 0.42 -0.04 0.15 -1.57 0.00 0.00 179.24 178.14 3kdu h PHE 361 N 0.60 -0.11 -0.94 4.55 3.57 -1.05 -3.15 116.94 120.41 3kdu h PHE 361 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3kdu h PHE 361 Cb -0.02 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 3kdu h PHE 361 CO -0.04 -0.07 0.61 0.00 -2.23 0.00 0.00 178.31 176.58 3kdu h ALA 362 N 0.82 1.27 -0.53 2.41 0.00 -0.55 0.12 119.26 122.79 3kdu h ALA 362 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kdu h ALA 362 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kdu h ALA 362 CO 0.00 0.44 0.34 0.52 0.00 0.00 0.00 179.25 180.55 3kdu h MET 363 N 1.14 0.66 -0.48 0.00 2.86 -1.25 0.35 114.93 118.23 3kdu h MET 363 Ca 0.39 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 3kdu h MET 363 Cb 0.07 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kdu h MET 363 CO -0.14 0.44 -0.08 0.87 1.06 0.00 0.00 176.91 179.06 3kdu h LYS 364 N 0.68 0.90 -0.28 1.72 1.57 -1.38 -2.81 116.57 116.97 3kdu h LYS 364 Ca 0.20 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3kdu h LYS 364 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kdu h LYS 364 CO -0.06 0.97 -0.01 0.35 -0.57 0.00 0.00 179.45 180.13 3kdu h PHE 365 N 0.75 0.55 0.00 -1.35 3.57 -0.36 -3.02 116.94 117.08 3kdu h PHE 365 Ca 0.13 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3kdu h PHE 365 Cb 0.62 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3kdu h PHE 365 CO 0.05 0.66 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.78 3kdu h ASN 366 N 0.29 0.00 0.68 0.41 2.35 -0.37 -1.86 115.58 117.08 3kdu h ASN 366 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3kdu h ASN 366 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3kdu h ASN 366 CO 0.02 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 3kdu h ALA 367 N 1.90 1.00 0.00 -0.83 0.00 -1.36 -1.38 119.26 118.59 3kdu h ALA 367 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kdu h ALA 367 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kdu h ALA 367 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 3kdu h LEU 368 N 0.00 0.00 -1.17 0.00 3.38 -1.42 -3.48 115.31 112.62 3kdu h LEU 368 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3kdu h LEU 368 Cb 0.34 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.14 3kdu h LEU 368 CO 0.00 0.00 -0.75 -0.62 0.09 0.00 0.00 178.44 177.16 3kdu n GLU 369 N -2.70 -6.22 -2.30 1.13 1.02 -0.52 -4.97 120.64 106.08 3kdu n GLU 369 Ca 0.03 0.69 -0.35 0.00 -0.02 0.00 0.00 57.16 57.51 3kdu n GLU 369 Cb 0.35 -5.58 -0.00 0.00 -0.02 0.00 0.00 31.44 26.19 3kdu n GLU 369 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kdu s LEU 370 N -7.08 3.75 0.55 -4.62 1.43 -1.26 -5.08 118.68 106.38 3kdu s LEU 370 Ca 0.44 2.11 0.07 0.00 -1.03 0.00 0.00 54.13 55.72 3kdu s LEU 370 Cb -0.21 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.49 3kdu s LEU 370 CO 0.79 -1.14 0.57 1.51 0.23 0.00 0.00 176.35 178.31 3kdu s ASP 371 N -1.87 4.86 0.39 2.29 1.47 -1.26 -4.96 116.67 117.59 3kdu s ASP 371 Ca 0.71 -1.05 0.09 0.00 1.18 0.00 0.00 52.55 53.48 3kdu s ASP 371 Cb -0.22 0.33 0.86 0.00 -0.34 0.00 0.00 42.92 43.55 3kdu s ASP 371 CO 0.26 -1.19 1.98 0.44 0.68 0.00 0.00 175.17 177.34 3kdu h ASP 372 N 0.51 0.54 0.22 2.11 3.32 -1.98 -0.64 116.42 120.51 3kdu h ASP 372 Ca -0.34 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3kdu h ASP 372 Cb 1.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kdu h ASP 372 CO 0.50 0.34 -0.36 0.77 -1.72 0.00 0.00 179.24 178.77 3kdu h SER 373 N 0.61 0.21 -0.03 6.45 4.64 -1.96 0.69 113.55 124.16 3kdu h SER 373 Ca 0.28 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3kdu h SER 373 Cb 0.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kdu h SER 373 CO -0.09 0.56 -0.18 0.44 -0.87 0.00 0.00 176.83 176.70 3kdu h ASP 374 N 0.18 0.20 -0.79 4.97 3.32 -1.76 -3.32 116.42 119.22 3kdu h ASP 374 Ca 0.02 -0.69 -0.03 0.00 0.02 0.00 0.00 57.03 56.36 3kdu h ASP 374 Cb 0.73 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 3kdu h ASP 374 CO 0.05 0.85 0.39 0.40 -1.72 0.00 0.00 179.24 179.22 3kdu h ILE 375 N -0.44 1.25 -0.80 0.35 2.04 -0.91 -1.14 117.51 117.86 3kdu h ILE 375 Ca -0.01 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3kdu h ILE 375 Cb 0.86 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3kdu h ILE 375 CO 0.04 0.29 0.49 0.77 0.00 0.00 0.00 178.15 179.74 3kdu h SER 376 N 1.11 0.78 -0.39 1.72 4.64 -1.01 0.73 113.55 121.14 3kdu h SER 376 Ca 0.27 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 3kdu h SER 376 Cb 0.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3kdu h SER 376 CO -0.04 0.52 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.31 3kdu h LEU 377 N 0.92 0.72 -0.30 5.97 3.38 -1.57 -1.41 115.31 123.03 3kdu h LEU 377 Ca 0.34 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kdu h LEU 377 Cb 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3kdu h LEU 377 CO -0.15 0.90 0.04 0.15 0.09 0.00 0.00 178.44 179.47 3kdu h PHE 378 N 0.54 0.07 -0.51 1.13 3.57 -0.43 -1.30 116.94 120.01 3kdu h PHE 378 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3kdu h PHE 378 Cb 0.57 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3kdu h PHE 378 CO 0.05 0.00 0.19 0.28 -2.23 0.00 0.00 178.31 176.60 3kdu h VAL 379 N 0.15 1.22 -0.91 1.41 2.07 -0.85 -0.88 116.25 118.46 3kdu h VAL 379 Ca 0.14 -0.69 0.12 0.00 0.82 0.00 0.00 66.70 67.09 3kdu h VAL 379 Cb 0.16 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3kdu h VAL 379 CO -0.20 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.19 3kdu h ALA 380 N 1.04 1.37 -0.26 1.67 0.00 -0.98 -1.52 119.26 120.58 3kdu h ALA 380 Ca 0.17 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3kdu h ALA 380 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kdu h ALA 380 CO -0.01 0.10 -0.35 0.00 0.00 0.00 0.00 179.25 178.98 3kdu h ALA 381 N 1.52 0.91 -0.14 0.00 0.00 -0.76 -1.52 119.26 119.28 3kdu h ALA 381 Ca 0.47 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kdu h ALA 381 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kdu h ALA 381 CO -0.29 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.47 3kdu h ILE 382 N 0.47 1.12 -0.11 0.00 2.04 -0.54 -3.29 117.51 117.20 3kdu h ILE 382 Ca 0.05 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3kdu h ILE 382 Cb 0.84 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3kdu h ILE 382 CO 0.07 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.72 3kdu h ILE 383 N 0.10 1.26 -1.75 -0.67 2.04 -1.24 -3.35 117.51 113.90 3kdu h ILE 383 Ca 0.05 -0.85 -0.73 0.00 1.00 0.00 0.00 64.86 64.32 3kdu h ILE 383 Cb 0.11 1.61 -0.15 0.00 -0.74 0.00 0.00 36.82 37.65 3kdu h ILE 383 CO -0.01 0.24 1.68 0.00 0.00 0.00 0.00 178.15 180.07 3kdu n GLY 386 N 4.80 -1.09 1.39 0.00 0.00 -1.26 -3.26 105.19 105.77 3kdu n GLY 386 Ca -0.14 0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3kdu n GLY 386 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdu n ASP 387 N -1.89 4.07 -4.77 1.61 10.43 -1.26 -4.89 116.55 119.84 3kdu n ASP 387 Ca 0.02 -2.50 -0.38 0.00 2.57 0.00 0.00 54.79 54.50 3kdu n ASP 387 Cb 0.18 -0.57 -0.06 0.00 1.84 0.00 0.00 41.12 42.51 3kdu n ASP 387 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3kdu s ARG 388 N -2.02 4.64 0.38 -1.24 1.81 -1.20 -5.05 118.95 116.27 3kdu s ARG 388 Ca 0.39 1.30 -0.25 0.00 -1.72 0.00 0.00 55.73 55.45 3kdu s ARG 388 Cb 0.28 -3.07 -0.09 0.00 -0.45 0.00 0.00 34.95 31.62 3kdu s ARG 388 CO 0.15 0.44 1.11 -1.25 -0.68 0.00 0.00 175.30 175.07 3kdu s PRO 389 N -1.55 4.19 0.00 3.54 0.04 -1.26 -4.08 135.00 135.87 3kdu s PRO 389 Ca 0.43 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3kdu s PRO 389 Cb -0.22 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3kdu s PRO 389 CO 0.27 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3kdu n GLY 390 N 0.62 0.51 3.73 0.56 0.00 -1.26 -5.01 105.19 104.33 3kdu n GLY 390 Ca 0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3kdu n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdu s LEU 391 N 0.00 4.41 0.10 0.99 1.43 -1.26 -4.95 118.68 119.39 3kdu s LEU 391 Ca 0.00 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3kdu s LEU 391 Cb 0.00 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.46 3kdu s LEU 391 CO 0.00 -0.48 1.26 -0.07 0.23 0.00 0.00 176.35 177.29 3kdu h LEU 392 N 6.03 0.82 -6.89 1.79 3.38 -1.96 -3.39 115.31 115.09 3kdu h LEU 392 Ca -0.43 -0.61 -0.61 0.00 0.09 0.00 0.00 57.88 56.31 3kdu h LEU 392 Cb 1.21 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.31 3kdu h LEU 392 CO 0.79 1.41 -0.73 0.21 0.09 0.00 0.00 178.44 180.22 3kdu s ASN 393 N -7.18 3.59 0.30 -0.43 3.84 -1.26 -4.96 114.94 108.83 3kdu s ASN 393 Ca -0.09 -3.25 0.00 0.00 0.21 0.00 0.00 52.86 49.74 3kdu s ASN 393 Cb 0.08 -1.16 0.46 0.00 -0.55 0.00 0.00 41.25 40.09 3kdu s ASN 393 CO 0.90 -0.17 1.84 1.62 -2.79 0.00 0.00 177.10 178.51 3kdu h VAL 394 N 4.77 1.21 -0.67 -5.21 3.04 -1.94 -2.96 116.25 114.51 3kdu h VAL 394 Ca 0.12 -0.79 0.07 0.00 -1.01 0.00 0.00 66.70 65.09 3kdu h VAL 394 Cb 0.85 0.73 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 3kdu h VAL 394 CO 0.56 0.29 0.34 1.23 -1.01 0.00 0.00 177.57 178.98 3kdu h GLY 395 N 0.92 0.98 0.99 3.17 0.00 -1.96 0.21 103.07 107.38 3kdu h GLY 395 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3kdu h GLY 395 CO 0.00 0.10 0.27 0.84 0.00 0.00 0.00 176.54 177.75 3kdu h HIS 396 N 0.61 0.85 -0.29 5.60 6.17 -1.95 -2.02 115.15 124.13 3kdu h HIS 396 Ca 0.31 -0.05 -0.15 0.00 0.71 0.00 0.00 60.37 61.19 3kdu h HIS 396 Cb 0.27 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 3kdu h HIS 396 CO -0.10 0.67 -0.43 0.82 0.71 0.00 0.00 177.93 179.60 3kdu h ILE 397 N 0.80 1.29 -0.80 6.26 2.04 -1.35 -2.35 117.51 123.39 3kdu h ILE 397 Ca 0.20 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 3kdu h ILE 397 Cb 0.14 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3kdu h ILE 397 CO -0.02 0.52 0.45 -0.33 0.00 0.00 0.00 178.15 178.77 3kdu h GLU 398 N 0.59 1.10 -0.49 2.37 5.08 -0.43 0.21 114.58 123.01 3kdu h GLU 398 Ca 0.04 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3kdu h GLU 398 Cb 0.98 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3kdu h GLU 398 CO 0.09 0.80 -0.09 0.87 -1.00 0.00 0.00 179.01 179.68 3kdu h LYS 399 N 1.12 0.89 0.02 2.33 1.57 -1.25 -1.00 116.57 120.24 3kdu h LYS 399 Ca 0.28 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kdu h LYS 399 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kdu h LYS 399 CO -0.05 0.94 -0.01 1.98 -0.57 0.00 0.00 179.45 181.74 3kdu h MET 400 N 0.80 -0.03 -0.29 3.15 4.05 -1.00 -2.91 114.93 118.70 3kdu h MET 400 Ca 0.13 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.62 3kdu h MET 400 Cb 0.60 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.33 3kdu h MET 400 CO 0.04 0.39 -0.28 0.37 0.23 0.00 0.00 176.91 177.66 3kdu h GLN 401 N -0.45 -0.25 -0.78 0.39 4.15 -0.59 -1.78 115.11 115.81 3kdu h GLN 401 Ca -0.00 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.58 3kdu h GLN 401 Cb 0.43 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 3kdu h GLN 401 CO 0.00 -0.17 0.34 1.49 -1.93 0.00 0.00 178.83 178.57 3kdu h GLU 402 N -0.26 0.48 -0.52 1.69 4.81 -1.22 0.77 114.58 120.34 3kdu h GLU 402 Ca 0.15 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3kdu h GLU 402 Cb 0.50 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3kdu h GLU 402 CO -0.44 0.32 0.17 0.78 -0.73 0.00 0.00 179.01 179.10 3kdu h GLY 403 N 0.49 0.86 1.08 1.92 0.00 -1.23 -2.02 103.07 104.17 3kdu h GLY 403 Ca 0.43 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3kdu h GLY 403 CO -0.39 0.47 -0.46 -2.22 0.00 0.00 0.00 176.54 173.94 3kdu h ILE 404 N 0.71 1.29 -0.50 2.60 2.04 -0.46 -2.54 117.51 120.64 3kdu h ILE 404 Ca 0.17 -1.64 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 3kdu h ILE 404 Cb 0.26 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3kdu h ILE 404 CO -0.01 0.53 0.11 0.58 0.00 0.00 0.00 178.15 179.37 3kdu h VAL 405 N 0.58 1.21 0.24 1.67 2.07 -0.86 -0.37 116.25 120.79 3kdu h VAL 405 Ca 0.02 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3kdu h VAL 405 Cb 1.06 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3kdu h VAL 405 CO 0.10 0.29 -0.11 -0.74 0.02 0.00 0.00 177.57 177.13 3kdu h HIS 406 N 0.73 -0.29 -0.81 1.57 -0.00 -1.30 -0.24 115.15 114.80 3kdu h HIS 406 Ca 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3kdu h HIS 406 Cb 0.28 0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.75 3kdu h HIS 406 CO 0.01 -0.08 0.53 -0.39 -0.00 0.00 0.00 177.93 178.00 3kdu h VAL 407 N -0.46 1.21 0.20 5.26 -1.51 -1.27 -1.53 116.25 118.16 3kdu h VAL 407 Ca -0.03 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 3kdu h VAL 407 Cb 0.35 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.53 3kdu h VAL 407 CO 0.05 0.21 -0.12 0.25 -1.23 0.00 0.00 177.57 176.73 3kdu h LEU 408 N 1.11 -0.30 -0.46 4.19 5.85 -0.89 0.96 115.31 125.77 3kdu h LEU 408 Ca 0.30 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.11 3kdu h LEU 408 Cb -0.11 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3kdu h LEU 408 CO -0.06 -0.20 0.08 -0.09 -0.34 0.00 0.00 178.44 177.83 3kdu h ARG 409 N -0.31 0.20 -0.33 1.25 2.43 -0.60 -0.16 114.38 116.86 3kdu h ARG 409 Ca -0.02 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3kdu h ARG 409 Cb 0.26 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3kdu h ARG 409 CO 0.02 0.13 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.15 3kdu h LEU 410 N 0.21 0.91 -0.38 3.80 3.38 -1.18 -2.23 115.31 119.82 3kdu h LEU 410 Ca 0.23 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3kdu h LEU 410 Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kdu h LEU 410 CO -0.31 1.22 0.21 -0.74 0.09 0.00 0.00 178.44 178.91 3kdu h HIS 411 N 0.63 0.39 -0.81 1.13 2.76 -0.52 -1.92 115.15 116.81 3kdu h HIS 411 Ca 0.04 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3kdu h HIS 411 Cb 0.99 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.78 3kdu h HIS 411 CO 0.07 0.22 0.52 -0.07 -1.30 0.00 0.00 177.93 177.37 3kdu h LEU 412 N 0.43 0.88 -1.13 0.26 3.38 -0.92 0.27 115.31 118.47 3kdu h LEU 412 Ca 0.15 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3kdu h LEU 412 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kdu h LEU 412 CO -0.08 0.62 0.07 -0.61 0.09 0.00 0.00 178.44 178.52 3kdu h GLN 413 N 1.04 0.68 0.23 1.13 4.15 -1.20 0.17 115.11 121.31 3kdu h GLN 413 Ca 0.31 -0.14 -0.34 0.00 0.77 0.00 0.00 58.65 59.26 3kdu h GLN 413 Cb -0.04 -0.10 0.03 0.00 0.21 0.00 0.00 27.48 27.58 3kdu h GLN 413 CO -0.10 0.65 -1.52 0.66 -1.93 0.00 0.00 178.83 176.59 3kdu h SER 414 N 0.65 0.77 1.09 -0.69 4.64 -0.72 -3.07 113.55 116.23 3kdu h SER 414 Ca 0.14 -0.87 -0.16 0.00 -0.47 0.00 0.00 61.79 60.43 3kdu h SER 414 Cb 0.31 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3kdu h SER 414 CO 0.00 1.70 -0.76 -1.13 -0.87 0.00 0.00 176.83 175.76 3kdu h ASN 415 N 0.13 0.00 -2.09 4.97 -1.24 -0.46 -3.37 115.58 113.52 3kdu h ASN 415 Ca -0.26 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.22 3kdu h ASN 415 Cb 2.15 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 40.79 3kdu h ASN 415 CO 0.25 0.76 -0.99 1.41 -1.29 0.00 0.00 177.43 177.57 3kdu n HIS 416 N -3.38 1.35 0.50 0.67 8.25 0.59 -4.94 115.22 118.27 3kdu n HIS 416 Ca 0.00 -3.85 0.06 0.00 -0.26 0.00 0.00 57.72 53.68 3kdu n HIS 416 Cb 0.81 -0.44 0.29 0.00 1.12 0.00 0.00 29.99 31.78 3kdu n HIS 416 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3kdu n PRO 417 N 0.38 0.07 0.16 -0.41 -0.04 -1.16 -1.77 135.00 132.23 3kdu n PRO 417 Ca 0.26 0.24 0.05 0.00 -0.04 0.00 0.00 63.50 64.01 3kdu n PRO 417 Cb 0.55 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3kdu n PRO 417 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kdu h ASP 418 N 0.00 0.00 -3.31 3.54 2.03 -1.92 -3.41 116.42 113.35 3kdu h ASP 418 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 3kdu h ASP 418 Cb 0.18 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.27 3kdu h ASP 418 CO 0.00 0.35 -0.66 -0.62 -1.03 0.00 0.00 179.24 177.28 3kdu s ASP 419 N -6.38 4.08 0.54 4.15 2.15 -0.73 -4.95 116.67 115.53 3kdu s ASP 419 Ca 0.05 -3.39 0.32 0.00 0.43 0.00 0.00 52.55 49.95 3kdu s ASP 419 Cb 0.07 -1.38 1.42 0.00 -0.30 0.00 0.00 42.92 42.73 3kdu s ASP 419 CO 0.72 -0.15 2.02 -0.29 -0.17 0.00 0.00 175.17 177.30 3kdu h ILE 420 N 4.77 0.24 -0.36 4.11 6.09 -1.80 -2.55 117.51 128.01 3kdu h ILE 420 Ca 0.09 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3kdu h ILE 420 Cb 0.83 1.47 0.00 0.00 0.47 0.00 0.00 36.82 39.59 3kdu h ILE 420 CO 0.63 0.07 0.00 0.49 -3.07 0.00 0.00 178.15 176.27 3kdu n PHE 421 N -3.27 0.50 -0.21 2.19 3.01 -1.26 -4.29 117.46 114.14 3kdu n PHE 421 Ca -0.00 -0.25 -0.07 0.00 1.01 0.00 0.00 57.45 58.14 3kdu n PHE 421 Cb 0.29 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.78 3kdu n PHE 421 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3kdu h LEU 422 N 2.10 0.79 0.28 4.37 5.85 -1.83 -1.74 115.31 125.13 3kdu h LEU 422 Ca 0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3kdu h LEU 422 Cb 0.51 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kdu h LEU 422 CO 0.01 0.72 -0.21 0.15 -0.34 0.00 0.00 178.44 178.77 3kdu h PHE 423 N 0.81 -0.54 -0.42 1.25 3.57 -1.83 0.11 116.94 119.89 3kdu h PHE 423 Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3kdu h PHE 423 Cb 0.15 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3kdu h PHE 423 CO 0.00 -0.32 0.28 -1.00 -2.23 0.00 0.00 178.31 175.04 3kdu h PRO 424 N -0.49 0.48 -0.93 6.41 0.13 -1.85 -1.53 132.00 134.22 3kdu h PRO 424 Ca -0.02 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3kdu h PRO 424 Cb 0.42 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.40 3kdu h PRO 424 CO -0.00 0.32 0.58 0.87 -0.23 0.00 0.00 178.00 179.54 3kdu h LYS 425 N 0.50 1.24 -0.09 0.86 1.57 -0.73 -2.02 116.57 117.89 3kdu h LYS 425 Ca 0.16 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3kdu h LYS 425 Cb 0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3kdu h LYS 425 CO -0.04 0.85 -0.51 -0.07 -0.57 0.00 0.00 179.45 179.11 3kdu h LEU 426 N 1.27 0.27 -0.75 2.94 3.38 -0.25 -1.96 115.31 120.22 3kdu h LEU 426 Ca 0.34 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3kdu h LEU 426 Cb -0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kdu h LEU 426 CO -0.07 0.73 0.29 -0.07 0.09 0.00 0.00 178.44 179.42 3kdu h LEU 427 N 0.20 1.04 -0.93 1.67 3.38 -0.94 -0.67 115.31 119.05 3kdu h LEU 427 Ca 0.01 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kdu h LEU 427 Cb 0.96 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3kdu h LEU 427 CO 0.08 0.93 0.60 1.56 0.09 0.00 0.00 178.44 181.70 3kdu h GLN 428 N 1.08 1.09 -0.46 1.13 4.20 -1.18 -2.52 115.11 118.44 3kdu h GLN 428 Ca 0.25 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 3kdu h GLN 428 Cb 0.22 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3kdu h GLN 428 CO -0.02 0.72 0.01 0.87 -0.67 0.00 0.00 178.83 179.74 3kdu h LYS 429 N 1.12 0.74 -0.92 1.46 1.79 -0.62 -1.61 116.57 118.54 3kdu h LYS 429 Ca 0.39 -0.19 0.05 0.00 -2.18 0.00 0.00 60.65 58.72 3kdu h LYS 429 Cb 0.09 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 3kdu h LYS 429 CO -0.15 0.75 0.58 0.52 -1.08 0.00 0.00 179.45 180.08 3kdu h MET 430 N 0.70 1.06 -0.28 3.15 2.86 -0.73 0.47 114.93 122.17 3kdu h MET 430 Ca 0.14 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3kdu h MET 430 Cb 0.42 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kdu h MET 430 CO 0.02 0.70 -0.08 0.00 1.06 0.00 0.00 176.91 178.60 3kdu h ALA 431 N 1.41 0.38 -0.74 6.32 0.00 -1.17 -2.56 119.26 122.90 3kdu h ALA 431 Ca 0.39 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kdu h ALA 431 Cb 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kdu h ALA 431 CO -0.15 0.21 0.49 -0.44 0.00 0.00 0.00 179.25 179.36 3kdu h ASP 432 N 0.30 0.83 -0.38 0.00 3.32 -0.97 -2.25 116.42 117.27 3kdu h ASP 432 Ca 0.07 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3kdu h ASP 432 Cb 0.57 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3kdu h ASP 432 CO 0.03 0.59 0.05 -0.07 -1.72 0.00 0.00 179.24 178.12 3kdu h LEU 433 N 0.97 0.60 -0.54 1.55 3.38 -0.84 0.30 115.31 120.73 3kdu h LEU 433 Ca 0.28 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3kdu h LEU 433 Cb -0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3kdu h LEU 433 CO -0.07 0.72 0.20 0.03 0.09 0.00 0.00 178.44 179.41 3kdu h ARG 434 N 0.47 0.37 -0.46 1.13 3.08 -1.09 -0.29 114.38 117.58 3kdu h ARG 434 Ca 0.11 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 3kdu h ARG 434 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kdu h ARG 434 CO 0.01 0.24 -0.20 1.96 -1.07 0.00 0.00 179.97 180.91 3kdu h GLN 435 N 0.38 0.93 -0.87 0.04 4.20 -1.27 -1.64 115.11 116.87 3kdu h GLN 435 Ca 0.27 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.61 3kdu h GLN 435 Cb 0.30 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3kdu h GLN 435 CO -0.27 1.04 0.57 1.25 -0.67 0.00 0.00 178.83 180.75 3kdu h LEU 436 N 0.81 0.98 -0.33 1.46 5.85 -0.43 -1.62 115.31 122.02 3kdu h LEU 436 Ca 0.11 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 3kdu h LEU 436 Cb 0.75 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kdu h LEU 436 CO 0.06 0.70 -0.42 0.58 -0.34 0.00 0.00 178.44 179.02 3kdu h VAL 437 N 1.16 1.28 -0.55 1.05 2.07 -0.88 -0.59 116.25 119.79 3kdu h VAL 437 Ca 0.33 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 3kdu h VAL 437 Cb -0.10 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kdu h VAL 437 CO -0.08 0.53 0.07 0.00 0.02 0.00 0.00 177.57 178.10 3kdu h THR 438 N 0.67 1.24 -0.58 2.57 1.03 -1.15 0.59 112.91 117.29 3kdu h THR 438 Ca 0.04 -0.96 -0.02 0.00 -0.01 0.00 0.00 66.41 65.47 3kdu h THR 438 Cb 1.01 0.75 -0.03 0.00 -1.07 0.00 0.00 68.15 68.82 3kdu h THR 438 CO 0.10 0.35 0.30 -0.08 -0.01 0.00 0.00 175.52 176.18 3kdu h GLU 439 N 0.84 0.82 -0.29 0.00 4.81 -1.17 -1.92 114.58 117.67 3kdu h GLU 439 Ca 0.17 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kdu h GLU 439 Cb 0.40 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3kdu h GLU 439 CO 0.01 0.65 0.12 1.25 -0.73 0.00 0.00 179.01 180.32 3kdu h HIS 440 N 0.79 0.43 -0.66 0.92 2.76 -0.69 -0.59 115.15 118.11 3kdu h HIS 440 Ca 0.20 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3kdu h HIS 440 Cb 0.08 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 28.85 3kdu h HIS 440 CO -0.01 0.41 0.31 0.00 -1.30 0.00 0.00 177.93 177.35 3kdu h ALA 441 N 0.97 0.89 -0.27 5.26 0.00 -0.80 -0.30 119.26 125.01 3kdu h ALA 441 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kdu h ALA 441 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kdu h ALA 441 CO -0.01 -0.08 0.14 1.96 0.00 0.00 0.00 179.25 181.26 3kdu h GLN 442 N 0.55 0.38 -0.88 0.00 4.20 -1.06 -0.68 115.11 117.62 3kdu h GLN 442 Ca 0.32 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 3kdu h GLN 442 Cb 0.33 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3kdu h GLN 442 CO -0.26 0.35 0.48 -0.07 -0.67 0.00 0.00 178.83 178.66 3kdu h LEU 443 N 0.31 1.11 -0.72 1.46 4.07 -0.73 -0.69 115.31 120.12 3kdu h LEU 443 Ca 0.09 -0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 3kdu h LEU 443 Cb 0.09 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 3kdu h LEU 443 CO -0.01 0.89 -0.15 0.58 -1.08 0.00 0.00 178.44 178.67 3kdu h VAL 444 N 1.24 1.26 -0.66 1.22 2.07 -0.91 -2.21 116.25 118.27 3kdu h VAL 444 Ca 0.31 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3kdu h VAL 444 Cb 0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3kdu h VAL 444 CO -0.05 0.43 0.33 -0.61 0.02 0.00 0.00 177.57 177.69 3kdu h GLN 445 N 0.73 0.93 -0.26 1.57 5.75 -0.62 0.18 115.11 123.39 3kdu h GLN 445 Ca 0.11 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3kdu h GLN 445 Cb 0.66 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 3kdu h GLN 445 CO 0.05 0.73 -0.04 0.82 -2.65 0.00 0.00 178.83 177.74 3kdu h ILE 446 N 0.90 0.77 -0.50 2.39 2.04 -0.92 0.14 117.51 122.33 3kdu h ILE 446 Ca 0.23 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.12 3kdu h ILE 446 Cb 0.09 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3kdu h ILE 446 CO -0.03 0.01 0.24 0.40 0.00 0.00 0.00 178.15 178.77 3kdu h ILE 447 N 0.03 0.94 -0.72 -0.67 2.04 -1.14 -0.52 117.51 117.47 3kdu h ILE 447 Ca 0.12 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3kdu h ILE 447 Cb 0.18 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3kdu h ILE 447 CO -0.24 0.09 0.45 0.11 0.00 0.00 0.00 178.15 178.55 3kdu h LYS 448 N 0.48 0.84 0.00 2.37 1.79 -0.46 -0.87 116.57 120.72 3kdu h LYS 448 Ca 0.22 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.40 3kdu h LYS 448 Cb 0.15 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 3kdu h LYS 448 CO -0.17 0.56 -1.26 0.87 -1.08 0.00 0.00 179.45 178.37 3kdu h LYS 449 N 0.87 0.00 0.00 3.15 1.57 -0.73 -3.41 116.57 118.02 3kdu h LYS 449 Ca 0.29 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.83 3kdu h LYS 449 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3kdu h LYS 449 CO -0.12 0.81 -1.96 0.25 -0.57 0.00 0.00 179.45 177.86 3kdu n THR 450 N -3.24 0.91 -2.92 -0.16 -2.24 -0.22 -5.00 114.28 101.41 3kdu n THR 450 Ca -0.06 -0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 3kdu n THR 450 Cb 0.98 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 3kdu n THR 450 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kdu s GLU 451 N -2.40 4.53 0.13 -0.78 0.41 -0.34 -4.98 118.70 115.28 3kdu s GLU 451 Ca -0.07 1.14 -0.11 0.00 -0.41 0.00 0.00 54.97 55.53 3kdu s GLU 451 Cb 0.05 -3.39 -0.07 0.00 -1.78 0.00 0.00 34.13 28.94 3kdu s GLU 451 CO 0.59 0.21 1.41 1.03 -0.49 0.00 0.00 175.26 178.01 3kdu h SER 452 N 5.91 0.95 0.00 -0.19 0.87 -1.94 -3.35 113.55 115.80 3kdu h SER 452 Ca -0.43 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 59.60 3kdu h SER 452 Cb 1.21 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 3kdu h SER 452 CO 0.72 1.31 -0.42 -0.67 -0.53 0.00 0.00 176.83 177.24 3kdu n ASP 453 N -4.00 1.78 -4.21 6.23 4.64 -1.26 -4.96 116.55 114.77 3kdu n ASP 453 Ca -0.04 -3.60 -0.40 0.00 -1.38 0.00 0.00 54.79 49.37 3kdu n ASP 453 Cb 0.63 -0.49 -0.09 0.00 -1.04 0.00 0.00 41.12 40.13 3kdu n ASP 453 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kdu s ALA 454 N -2.93 3.33 0.24 -1.67 0.00 -1.26 -5.00 121.76 114.47 3kdu s ALA 454 Ca 0.36 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.88 3kdu s ALA 454 Cb 0.35 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3kdu s ALA 454 CO -0.05 -1.83 0.42 0.00 0.00 0.00 0.00 175.76 174.31 3kdu s ALA 455 N 1.34 3.81 -0.11 0.00 0.00 -1.26 -4.74 121.76 120.80 3kdu s ALA 455 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3kdu s ALA 455 Cb -0.25 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 3kdu s ALA 455 CO -0.01 0.31 -0.16 -1.17 0.00 0.00 0.00 175.76 174.74 3kdu s LEU 456 N -3.61 2.59 0.16 0.00 2.96 -1.26 -4.93 118.68 114.59 3kdu s LEU 456 Ca 0.38 -0.35 -0.34 0.00 -0.22 0.00 0.00 54.13 53.61 3kdu s LEU 456 Cb -0.10 -1.56 -0.15 0.00 0.50 0.00 0.00 46.19 44.87 3kdu s LEU 456 CO 0.30 0.20 1.30 1.57 -1.32 0.00 0.00 176.35 178.40 3kdu n HIS 457 N 3.27 1.61 -0.26 5.38 -0.00 -1.26 -4.76 115.22 119.21 3kdu n HIS 457 Ca -0.18 0.58 0.09 0.00 -0.00 0.00 0.00 57.72 58.21 3kdu n HIS 457 Cb 0.53 -2.35 0.34 0.00 -0.00 0.00 0.00 29.99 28.50 3kdu n HIS 457 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3kdu h PRO 458 N 4.13 0.76 -0.75 1.57 0.13 -1.99 -0.04 132.00 135.80 3kdu h PRO 458 Ca -0.45 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3kdu h PRO 458 Cb 1.32 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3kdu h PRO 458 CO 0.75 0.50 0.25 1.25 -0.23 0.00 0.00 178.00 180.53 3kdu h LEU 459 N 0.78 1.08 -0.52 1.56 5.85 -2.00 -2.68 115.31 119.39 3kdu h LEU 459 Ca 0.40 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3kdu h LEU 459 Cb 0.49 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3kdu h LEU 459 CO -0.17 0.99 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.77 3kdu h LEU 460 N 1.11 0.96 -0.83 2.25 3.38 -1.42 -2.05 115.31 118.72 3kdu h LEU 460 Ca 0.24 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3kdu h LEU 460 Cb 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3kdu h LEU 460 CO -0.01 1.08 0.52 1.56 0.09 0.00 0.00 178.44 181.68 3kdu h GLN 461 N 0.83 0.96 -0.73 1.13 4.20 -1.16 -0.76 115.11 119.58 3kdu h GLN 461 Ca 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3kdu h GLN 461 Cb 0.64 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3kdu h GLN 461 CO 0.04 0.63 0.36 1.49 -0.67 0.00 0.00 178.83 180.68 3kdu h GLU 462 N 0.99 1.06 -0.17 1.46 4.57 -1.21 -0.86 114.58 120.41 3kdu h GLU 462 Ca 0.34 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3kdu h GLU 462 Cb 0.08 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3kdu h GLU 462 CO -0.14 0.82 0.08 0.82 -1.18 0.00 0.00 179.01 179.41 3kdu h ILE 463 N 1.03 1.14 0.00 2.32 2.04 -0.78 -2.97 117.51 120.29 3kdu h ILE 463 Ca 0.25 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3kdu h ILE 463 Cb 0.11 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kdu h ILE 463 CO -0.03 0.13 0.00 1.88 0.00 0.00 0.00 178.15 180.13 3kdu h TYR 464 N 0.14 0.00 -2.46 1.37 -1.99 -0.97 -3.44 116.97 109.61 3kdu h TYR 464 Ca 0.06 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.25 3kdu h TYR 464 Cb 0.14 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.88 3kdu h TYR 464 CO -0.02 0.00 1.17 0.50 -0.00 0.00 0.00 178.16 179.81 3kdu s ARG 465 N -3.64 4.15 -1.13 4.88 3.52 -0.34 -2.78 118.95 123.61 3kdu s ARG 465 Ca 0.01 2.49 -0.04 0.00 -0.13 0.00 0.00 55.73 58.06 3kdu s ARG 465 Cb 0.09 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 3kdu s ARG 465 CO 0.53 -0.91 0.57 -0.25 -0.81 0.00 0.00 175.30 174.43 3kdu n ASP 466 N 7.19 -5.06 -0.13 -2.12 8.00 -1.26 -4.94 116.55 118.23 3kdu n ASP 466 Ca 0.19 -0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.20 3kdu n ASP 466 Cb 0.41 -3.85 -0.11 0.00 -0.02 0.00 0.00 41.12 37.55 3kdu n ASP 466 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kdu n MET 467 N -3.37 0.62 0.00 -1.24 2.81 -1.12 -5.15 117.12 109.66 3kdu n MET 467 Ca -0.06 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3kdu n MET 467 Cb 0.58 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 3kdu n MET 467 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46