#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opj n MET 244 N 0.00 1.92 -3.23 0.00 0.00 -1.26 0.05 117.12 114.60 1opj n MET 244 Ca 0.00 -1.39 -0.42 0.00 0.00 0.00 0.00 57.70 55.88 1opj n MET 244 Cb 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 33.22 31.73 1opj n MET 244 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1opj s ASP 245 N -1.52 6.28 0.31 7.83 -1.08 -1.26 -4.97 116.67 122.26 1opj s ASP 245 Ca 0.33 -0.33 0.08 0.00 -0.52 0.00 0.00 52.55 52.11 1opj s ASP 245 Cb 0.18 -2.27 0.89 0.00 -1.46 0.00 0.00 42.92 40.27 1opj s ASP 245 CO 0.27 -0.60 1.64 -0.65 0.52 0.00 0.00 175.17 176.35 1opj h PRO 246 N 8.67 0.20 0.00 4.34 0.11 -1.99 -0.48 132.00 142.85 1opj h PRO 246 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1opj h PRO 246 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1opj h PRO 246 CO 0.81 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 1opj h SER 247 N 0.20 0.00 -3.35 -2.05 4.64 -1.99 -3.46 113.55 107.55 1opj h SER 247 Ca 0.64 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.44 1opj h SER 247 Cb 1.41 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.54 1opj h SER 247 CO -0.68 0.00 0.69 -0.55 -0.87 0.00 0.00 176.83 175.42 1opj s SER 248 N -5.01 6.83 0.00 4.97 0.15 -0.19 -4.89 113.70 115.56 1opj s SER 248 Ca 0.09 2.46 0.10 0.00 0.70 0.00 0.00 55.95 59.31 1opj s SER 248 Cb 0.10 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.26 1opj s SER 248 CO 0.60 -0.58 1.31 -0.81 1.20 0.00 0.00 173.24 174.96 1opj n PRO 249 N 2.67 0.03 -0.32 5.44 -0.04 -1.26 -0.85 135.00 140.67 1opj n PRO 249 Ca 0.07 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 1opj n PRO 249 Cb 0.42 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 1opj n PRO 249 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1opj n ASN 250 N -1.46 3.63 -4.72 3.54 3.02 -1.26 -5.01 115.26 113.01 1opj n ASN 250 Ca 0.03 -2.04 -0.43 0.00 -0.03 0.00 0.00 54.58 52.11 1opj n ASN 250 Cb 0.11 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1opj n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1opj n TYR 251 N 1.18 2.60 -3.71 3.10 9.36 -0.03 -4.52 117.16 125.13 1opj n TYR 251 Ca 0.20 0.29 -0.28 0.00 3.32 0.00 0.00 57.90 61.43 1opj n TYR 251 Cb 0.57 -2.56 -0.16 0.00 -0.63 0.00 0.00 39.34 36.56 1opj n TYR 251 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1opj s ASP 252 N 0.51 3.07 0.65 2.98 -1.08 0.11 -5.01 116.67 117.91 1opj s ASP 252 Ca 0.67 -0.95 0.39 0.00 -0.52 0.00 0.00 52.55 52.13 1opj s ASP 252 Cb -0.55 -0.59 2.14 0.00 -1.46 0.00 0.00 42.92 42.45 1opj s ASP 252 CO 0.47 -0.33 2.24 0.07 0.52 0.00 0.00 175.17 178.14 1opj h LYS 253 N 8.25 0.00 0.00 4.34 2.10 -1.94 -2.16 116.57 127.15 1opj h LYS 253 Ca -0.16 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.39 1opj h LYS 253 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1opj h LYS 253 CO 0.36 0.00 -0.45 -1.49 -2.00 0.00 0.00 179.45 175.87 1opj h TRP 254 N 0.00 0.00 -2.95 0.07 4.06 -1.94 -3.45 115.95 111.73 1opj h TRP 254 Ca 0.01 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 1opj h TRP 254 Cb 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.40 1opj h TRP 254 CO 0.00 0.45 0.89 -1.21 -3.56 0.00 0.00 178.44 175.01 1opj s GLU 255 N -3.09 4.19 0.21 0.49 0.41 -0.81 -1.21 118.70 118.88 1opj s GLU 255 Ca 0.03 2.43 0.02 0.00 -0.41 0.00 0.00 54.97 57.04 1opj s GLU 255 Cb 0.08 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.27 1opj s GLU 255 CO 0.73 -0.61 0.04 0.00 -0.49 0.00 0.00 175.26 174.93 1opj s MET 256 N 0.68 1.26 -0.32 1.61 0.23 -0.39 -4.88 119.30 117.49 1opj s MET 256 Ca 0.68 -1.64 -0.29 0.00 -1.03 0.00 0.00 55.69 53.41 1opj s MET 256 Cb -0.45 -0.32 0.01 0.00 -1.53 0.00 0.00 34.83 32.54 1opj s MET 256 CO 0.36 -0.19 1.19 -2.00 -2.03 0.00 0.00 175.02 172.35 1opj s GLU 257 N -3.95 3.97 0.48 3.16 2.56 -1.26 -4.68 118.70 118.98 1opj s GLU 257 Ca 0.30 1.13 0.32 0.00 0.00 0.00 0.00 54.97 56.72 1opj s GLU 257 Cb 0.07 -3.82 1.58 0.00 2.00 0.00 0.00 34.13 33.95 1opj s GLU 257 CO 0.08 -1.04 1.98 0.07 -0.56 0.00 0.00 175.26 175.79 1opj h ARG 258 N 8.76 0.00 0.00 4.30 0.11 -1.96 -0.67 114.38 124.93 1opj h ARG 258 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1opj h ARG 258 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1opj h ARG 258 CO 1.04 0.00 0.00 0.25 0.10 0.00 0.00 179.97 181.36 1opj n THR 259 N -2.73 0.66 0.63 0.08 -2.24 -1.26 -1.89 114.28 107.53 1opj n THR 259 Ca -0.01 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1opj n THR 259 Cb 0.16 -0.86 0.46 0.00 -2.10 0.00 0.00 70.33 67.98 1opj n THR 259 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1opj n ASP 260 N -1.42 0.39 -4.45 3.42 8.00 -0.26 -4.76 116.55 117.47 1opj n ASP 260 Ca 0.06 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.79 1opj n ASP 260 Cb 0.18 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.49 1opj n ASP 260 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1opj s ILE 261 N -3.11 3.15 -0.28 0.53 1.01 -0.79 -1.23 121.20 120.48 1opj s ILE 261 Ca 0.09 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1opj s ILE 261 Cb 0.13 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1opj s ILE 261 CO 0.45 0.56 0.23 -0.89 0.00 0.00 0.00 174.94 175.29 1opj s THR 262 N -0.28 5.28 -0.00 2.92 2.01 0.13 -4.90 115.64 120.81 1opj s THR 262 Ca 0.02 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1opj s THR 262 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1opj s THR 262 CO 0.03 0.23 0.96 -0.04 -0.69 0.00 0.00 174.62 175.10 1opj s MET 263 N 1.82 4.56 0.00 4.92 1.00 -1.26 -1.20 119.30 129.14 1opj s MET 263 Ca 0.09 1.38 0.00 0.00 0.00 0.00 0.00 55.69 57.16 1opj s MET 263 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 34.83 31.21 1opj s MET 263 CO 0.11 -0.03 0.00 1.63 0.00 0.00 0.00 175.02 176.73 1opj n LYS 264 N 3.84 3.73 -1.51 2.03 4.76 0.81 -4.99 118.16 126.83 1opj n LYS 264 Ca 0.05 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 1opj n LYS 264 Cb 0.51 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.77 1opj n LYS 264 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1opj s HIS 265 N 1.97 2.92 0.41 2.13 3.76 -1.26 -4.52 115.29 120.69 1opj s HIS 265 Ca 0.00 1.33 -0.27 0.00 -0.15 0.00 0.00 55.06 55.97 1opj s HIS 265 Cb 0.00 -3.00 -0.10 0.00 1.11 0.00 0.00 32.58 30.59 1opj s HIS 265 CO 0.00 -1.54 1.46 0.21 -0.85 0.00 0.00 174.74 174.02 1opj s LYS 266 N -5.06 3.92 0.48 1.40 2.20 -1.26 -1.43 119.74 119.99 1opj s LYS 266 Ca 0.60 2.51 -0.20 0.00 -0.36 0.00 0.00 55.97 58.52 1opj s LYS 266 Cb -0.15 -2.83 -0.09 0.00 -1.51 0.00 0.00 37.83 33.26 1opj s LYS 266 CO 0.55 -0.66 1.02 -1.17 -0.36 0.00 0.00 175.35 174.73 1opj s LEU 267 N -2.37 3.83 -1.66 5.43 2.96 0.35 -3.93 118.68 123.29 1opj s LEU 267 Ca 0.56 1.87 -0.08 0.00 -0.22 0.00 0.00 54.13 56.26 1opj s LEU 267 Cb -0.45 -4.55 0.08 0.00 0.50 0.00 0.00 46.19 41.76 1opj s LEU 267 CO 0.60 -0.73 0.24 0.61 -1.32 0.00 0.00 176.35 175.75 1opj n GLY 268 N -0.40 -0.23 5.00 7.98 0.00 -1.26 -2.54 105.19 113.74 1opj n GLY 268 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1opj n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opj n GLY 269 N -2.03 1.11 0.00 -0.02 0.00 -1.25 -2.03 105.19 100.96 1opj n GLY 269 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1opj n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opj n GLY 270 N 0.00 0.00 0.00 -0.02 0.00 -1.05 -4.78 105.19 99.34 1opj n GLY 270 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1opj n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opj n GLN 271 N 0.00 0.70 0.00 1.61 10.64 -0.86 -1.82 117.38 127.64 1opj n GLN 271 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1opj n GLN 271 Cb 0.00 -1.12 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 1opj n GLN 271 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1opj n TYR 272 N -0.62 0.00 -1.55 2.61 4.02 -1.26 -4.82 117.16 115.54 1opj n TYR 272 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1opj n TYR 272 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1opj n TYR 272 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opj n GLY 273 N 0.03 0.95 2.27 2.72 0.00 -0.76 -4.08 105.19 106.32 1opj n GLY 273 Ca 0.00 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1opj n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1opj n GLU 274 N 12.42 3.20 -4.96 1.61 -0.58 -1.26 -4.80 120.64 126.26 1opj n GLU 274 Ca 0.00 -1.88 -0.32 0.00 -0.42 0.00 0.00 57.16 54.55 1opj n GLU 274 Cb 0.00 -2.60 -0.17 0.00 -0.57 0.00 0.00 31.44 28.10 1opj n GLU 274 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1opj s VAL 275 N 2.04 2.01 0.16 2.62 1.01 -1.26 -0.88 120.40 126.11 1opj s VAL 275 Ca 0.66 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1opj s VAL 275 Cb 0.20 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1opj s VAL 275 CO -0.05 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.04 1opj s TYR 276 N 0.56 2.26 0.19 5.22 1.51 0.81 -0.49 117.35 127.40 1opj s TYR 276 Ca -0.14 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 1opj s TYR 276 Cb -0.17 -1.16 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 1opj s TYR 276 CO 0.04 0.42 0.93 -2.00 -1.11 0.00 0.00 175.55 173.83 1opj s GLU 277 N -2.42 4.78 0.20 -0.62 2.12 -0.52 0.03 118.70 122.28 1opj s GLU 277 Ca 0.17 1.44 -0.03 0.00 0.36 0.00 0.00 54.97 56.92 1opj s GLU 277 Cb -0.09 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1opj s GLU 277 CO 0.08 0.43 0.16 0.20 -0.54 0.00 0.00 175.26 175.60 1opj s GLY 278 N -0.81 1.25 -0.10 -1.50 0.00 -0.09 -0.13 107.32 105.93 1opj s GLY 278 Ca 0.42 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1opj s GLY 278 CO 0.31 -1.29 -0.11 0.14 0.00 0.00 0.00 173.10 172.15 1opj s VAL 279 N -4.12 1.21 -1.00 1.40 1.01 -0.34 -0.05 120.40 118.50 1opj s VAL 279 Ca 0.35 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1opj s VAL 279 Cb 0.06 -1.15 0.08 0.00 0.00 0.00 0.00 36.38 35.37 1opj s VAL 279 CO 0.10 0.39 1.35 0.86 0.00 0.00 0.00 175.10 177.80 1opj s TRP 280 N 1.24 2.73 0.04 5.22 -0.11 0.16 -0.69 118.94 127.54 1opj s TRP 280 Ca -0.03 -1.04 -0.09 0.00 1.22 0.00 0.00 56.10 56.16 1opj s TRP 280 Cb -0.14 -4.56 -0.02 0.00 -1.50 0.00 0.00 33.47 27.25 1opj s TRP 280 CO -0.04 -1.79 0.72 1.63 -4.62 0.00 0.00 176.95 172.86 1opj n LYS 281 N 8.09 -0.12 -0.38 5.86 5.02 -0.37 -1.14 118.16 135.13 1opj n LYS 281 Ca 0.30 0.71 0.30 0.00 -2.02 0.00 0.00 58.31 57.61 1opj n LYS 281 Cb 0.50 -1.06 0.58 0.00 -0.02 0.00 0.00 35.03 35.04 1opj n LYS 281 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1opj h LYS 282 N 0.00 0.22 -0.02 1.97 2.10 -1.92 0.19 116.57 119.11 1opj h LYS 282 Ca 0.04 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1opj h LYS 282 Cb 0.11 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1opj h LYS 282 CO -0.26 0.14 -0.01 0.66 -2.00 0.00 0.00 179.45 177.98 1opj n TYR 283 N -4.67 0.00 -3.34 0.07 0.53 -0.34 -4.95 117.16 104.47 1opj n TYR 283 Ca 0.32 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.96 1opj n TYR 283 Cb 1.17 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 39.49 1opj n TYR 283 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1opj n SER 284 N 0.94 -4.52 -4.67 7.72 2.88 0.68 -4.92 113.62 111.73 1opj n SER 284 Ca 0.10 -0.41 -0.35 0.00 -1.33 0.00 0.00 58.87 56.88 1opj n SER 284 Cb 0.43 -3.69 -0.09 0.00 -0.75 0.00 0.00 64.21 60.11 1opj n SER 284 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1opj s LEU 285 N -6.65 4.02 0.10 2.46 2.96 -1.11 -4.90 118.68 115.57 1opj s LEU 285 Ca 0.41 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 1opj s LEU 285 Cb -0.21 -2.04 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1opj s LEU 285 CO 0.50 0.15 1.00 -0.89 -1.32 0.00 0.00 176.35 175.80 1opj s THR 286 N 0.51 4.45 0.27 3.68 2.01 -1.26 0.40 115.64 125.70 1opj s THR 286 Ca 0.06 1.97 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1opj s THR 286 Cb -0.12 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 1opj s THR 286 CO 0.00 0.27 0.10 0.68 -0.69 0.00 0.00 174.62 174.98 1opj s VAL 287 N 0.22 0.55 -0.13 3.82 -7.23 0.93 -3.90 120.40 114.66 1opj s VAL 287 Ca 0.49 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1opj s VAL 287 Cb -0.24 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1opj s VAL 287 CO 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 175.08 1opj s ALA 288 N -3.71 3.14 -0.19 1.32 0.00 -0.14 -0.92 121.76 121.26 1opj s ALA 288 Ca 0.37 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1opj s ALA 288 Cb 0.07 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.68 1opj s ALA 288 CO 0.14 0.35 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 1opj s VAL 289 N -0.11 1.59 -0.12 0.00 1.01 0.11 -0.91 120.40 121.97 1opj s VAL 289 Ca 0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1opj s VAL 289 Cb -0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1opj s VAL 289 CO 0.02 0.21 0.31 -0.75 0.00 0.00 0.00 175.10 174.89 1opj s LYS 290 N 1.43 4.08 0.44 2.72 2.20 0.25 -0.14 119.74 130.71 1opj s LYS 290 Ca -0.00 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.80 1opj s LYS 290 Cb -0.16 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1opj s LYS 290 CO -0.09 0.40 0.10 0.95 -0.36 0.00 0.00 175.35 176.36 1opj s THR 291 N -0.05 0.70 -0.11 3.43 -4.23 -0.06 -1.27 115.64 114.06 1opj s THR 291 Ca 0.18 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 1opj s THR 291 Cb -0.14 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1opj s THR 291 CO 0.06 0.00 0.17 -0.76 -0.54 0.00 0.00 174.62 173.56 1opj s LEU 292 N -3.67 4.39 0.84 4.79 1.43 -1.26 -4.71 118.68 120.49 1opj s LEU 292 Ca 0.19 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 1opj s LEU 292 Cb 0.02 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1opj s LEU 292 CO 0.12 0.39 1.15 -0.54 0.23 0.00 0.00 176.35 177.69 1opj s LYS 293 N -0.96 1.58 0.02 1.70 1.02 -1.26 -4.86 119.74 116.97 1opj s LYS 293 Ca 0.16 1.50 -0.36 0.00 0.02 0.00 0.00 55.97 57.29 1opj s LYS 293 Cb -0.13 -1.79 -0.15 0.00 -0.52 0.00 0.00 37.83 35.24 1opj s LYS 293 CO 0.05 -2.21 1.54 0.39 -0.92 0.00 0.00 175.35 174.20 1opj n GLU 294 N -3.71 1.53 -2.04 1.68 -0.58 -1.26 -3.59 120.64 112.67 1opj n GLU 294 Ca 0.12 0.55 -0.09 0.00 -0.42 0.00 0.00 57.16 57.32 1opj n GLU 294 Cb 0.52 -2.26 0.01 0.00 -0.57 0.00 0.00 31.44 29.13 1opj n GLU 294 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1opj n ASP 295 N 3.75 -1.31 -4.66 1.62 8.00 -1.26 -4.96 116.55 117.73 1opj n ASP 295 Ca 0.20 -0.11 -0.24 0.00 0.71 0.00 0.00 54.79 55.35 1opj n ASP 295 Cb 0.22 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1opj n ASP 295 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1opj s THR 296 N -1.00 2.77 -0.64 -3.53 -4.23 -1.24 -5.04 115.64 102.72 1opj s THR 296 Ca 0.06 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1opj s THR 296 Cb -0.01 -2.85 0.45 0.00 1.34 0.00 0.00 72.50 71.44 1opj s THR 296 CO 0.22 -0.20 1.97 0.23 -0.54 0.00 0.00 174.62 176.30 1opj n MET 297 N -1.00 2.76 -0.32 3.99 2.81 -1.26 -4.33 117.12 119.76 1opj n MET 297 Ca -0.04 -3.36 0.08 0.00 -1.81 0.00 0.00 57.70 52.57 1opj n MET 297 Cb 0.62 -2.29 0.17 0.00 -0.71 0.00 0.00 33.22 31.01 1opj n MET 297 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1opj n GLU 298 N -0.90 1.40 -0.35 0.03 2.13 -1.26 -4.73 120.64 116.96 1opj n GLU 298 Ca 0.61 -2.90 -0.03 0.00 0.66 0.00 0.00 57.16 55.51 1opj n GLU 298 Cb 0.68 -1.54 0.10 0.00 0.27 0.00 0.00 31.44 30.95 1opj n GLU 298 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1opj h VAL 299 N 0.55 1.25 -0.21 6.31 2.07 -2.00 -0.31 116.25 123.92 1opj h VAL 299 Ca -0.00 -0.52 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 1opj h VAL 299 Cb 1.01 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1opj h VAL 299 CO 0.00 0.26 -0.57 1.05 0.02 0.00 0.00 177.57 178.33 1opj h GLU 300 N 1.29 0.66 -0.07 1.57 4.11 -1.96 -1.69 114.58 118.48 1opj h GLU 300 Ca 0.34 -0.43 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 1opj h GLU 300 Cb -0.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1opj h GLU 300 CO -0.07 1.05 -0.38 0.93 0.07 0.00 0.00 179.01 180.61 1opj h GLU 301 N 0.50 0.15 -0.08 1.06 4.39 -1.78 0.14 114.58 118.95 1opj h GLU 301 Ca 0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1opj h GLU 301 Cb 1.14 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1opj h GLU 301 CO 0.11 0.51 -0.03 0.35 -1.16 0.00 0.00 179.01 178.79 1opj h PHE 302 N 0.13 0.18 -0.41 4.33 3.57 -0.91 -0.60 116.94 123.22 1opj h PHE 302 Ca 0.01 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1opj h PHE 302 Cb 0.73 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1opj h PHE 302 CO 0.01 0.51 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.51 1opj h LEU 303 N -0.19 0.64 -0.62 0.59 3.38 -1.08 -1.48 115.31 116.54 1opj h LEU 303 Ca 0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1opj h LEU 303 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1opj h LEU 303 CO 0.01 0.72 0.04 0.50 0.09 0.00 0.00 178.44 179.79 1opj h LYS 304 N 0.63 1.06 -0.46 1.13 3.64 -0.62 -1.24 116.57 120.71 1opj h LYS 304 Ca 0.13 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1opj h LYS 304 Cb 0.41 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1opj h LYS 304 CO 0.02 1.02 0.20 1.49 -2.27 0.00 0.00 179.45 179.90 1opj h GLU 305 N 0.97 0.67 -0.82 1.90 4.81 -0.48 -0.44 114.58 121.19 1opj h GLU 305 Ca 0.18 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1opj h GLU 305 Cb 0.51 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1opj h GLU 305 CO 0.02 0.60 0.54 0.00 -0.73 0.00 0.00 179.01 179.44 1opj h ALA 306 N 1.04 1.04 -0.48 2.92 0.00 -1.10 -0.77 119.26 121.90 1opj h ALA 306 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1opj h ALA 306 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1opj h ALA 306 CO -0.02 0.43 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1opj h ALA 307 N 1.30 0.63 -0.64 0.00 0.00 -0.82 -2.61 119.26 117.13 1opj h ALA 307 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1opj h ALA 307 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1opj h ALA 307 CO -0.07 0.26 0.11 0.28 0.00 0.00 0.00 179.25 179.82 1opj h VAL 308 N 0.64 1.26 0.00 0.00 2.07 -0.62 -2.72 116.25 116.88 1opj h VAL 308 Ca 0.16 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1opj h VAL 308 Cb 0.22 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1opj h VAL 308 CO -0.01 0.37 -0.20 0.24 0.02 0.00 0.00 177.57 177.99 1opj h MET 309 N 0.98 0.00 0.00 1.57 2.07 -0.99 -1.25 114.93 117.31 1opj h MET 309 Ca 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1opj h MET 309 Cb 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1opj h MET 309 CO 0.01 0.20 0.00 0.87 1.07 0.00 0.00 176.91 179.06 1opj h LYS 310 N 0.00 0.00 0.00 1.72 1.57 -1.14 -3.00 116.57 115.72 1opj h LYS 310 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1opj h LYS 310 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1opj h LYS 310 CO 0.03 0.00 -0.75 0.39 -0.57 0.00 0.00 179.45 178.54 1opj n GLU 311 N -3.00 0.09 -4.93 3.15 -0.58 -0.49 -4.91 120.64 109.98 1opj n GLU 311 Ca 0.01 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.43 1opj n GLU 311 Cb 0.34 -1.53 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 1opj n GLU 311 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1opj s ILE 312 N -3.06 2.86 -0.17 -3.67 -4.36 -1.13 -5.08 121.20 106.59 1opj s ILE 312 Ca 0.08 -0.77 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 1opj s ILE 312 Cb 0.16 -2.13 0.08 0.00 1.25 0.00 0.00 42.46 41.82 1opj s ILE 312 CO 0.76 0.57 0.20 -0.75 0.24 0.00 0.00 174.94 175.96 1opj s LYS 313 N -0.29 0.14 -0.24 0.37 2.47 -1.26 -4.87 119.74 116.06 1opj s LYS 313 Ca 0.02 0.27 -0.23 0.00 -1.56 0.00 0.00 55.97 54.47 1opj s LYS 313 Cb -0.13 -1.03 0.06 0.00 -1.46 0.00 0.00 37.83 35.27 1opj s LYS 313 CO 0.03 -0.57 0.65 -1.58 0.16 0.00 0.00 175.35 174.04 1opj s HIS 314 N 2.30 -0.71 0.63 4.03 2.46 -1.26 -5.03 115.29 117.72 1opj s HIS 314 Ca 0.05 1.71 0.32 0.00 0.47 0.00 0.00 55.06 57.61 1opj s HIS 314 Cb -0.15 0.25 1.77 0.00 -0.13 0.00 0.00 32.58 34.32 1opj s HIS 314 CO -0.10 -0.35 2.06 -1.35 -2.47 0.00 0.00 174.74 172.52 1opj h PRO 315 N 5.03 0.00 -0.36 2.88 0.11 -1.99 -1.62 132.00 136.05 1opj h PRO 315 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1opj h PRO 315 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1opj h PRO 315 CO 0.11 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.99 1opj n ASN 316 N -3.33 4.25 -4.25 -2.05 4.13 -1.26 -4.83 115.26 107.92 1opj n ASN 316 Ca 0.00 -2.87 -0.31 0.00 1.68 0.00 0.00 54.58 53.08 1opj n ASN 316 Cb 0.34 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 37.87 1opj n ASN 316 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1opj s LEU 317 N -2.59 2.05 0.12 3.41 1.43 -0.61 0.32 118.68 122.80 1opj s LEU 317 Ca 0.44 -0.49 -0.35 0.00 -1.03 0.00 0.00 54.13 52.70 1opj s LEU 317 Cb 0.34 -1.31 -0.16 0.00 0.03 0.00 0.00 46.19 45.08 1opj s LEU 317 CO 0.12 0.23 1.26 0.55 0.23 0.00 0.00 176.35 178.75 1opj n VAL 318 N 2.95 0.35 -2.82 -1.59 3.14 -1.10 -4.64 118.33 114.61 1opj n VAL 318 Ca -0.17 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.70 1opj n VAL 318 Cb 0.52 -0.81 -0.04 0.00 -1.06 0.00 0.00 33.84 32.45 1opj n VAL 318 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1opj s GLN 319 N 0.14 4.18 0.22 1.45 0.74 -1.26 -4.98 119.66 120.16 1opj s GLN 319 Ca 0.80 1.03 -0.30 0.00 0.05 0.00 0.00 55.36 56.95 1opj s GLN 319 Cb -0.92 -3.65 -0.09 0.00 1.10 0.00 0.00 33.01 29.44 1opj s GLN 319 CO 0.49 -0.57 1.33 -1.17 -0.55 0.00 0.00 175.29 174.81 1opj s LEU 320 N 2.98 4.42 -0.07 3.68 2.96 -1.26 -2.05 118.68 129.33 1opj s LEU 320 Ca 0.37 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.84 1opj s LEU 320 Cb -0.15 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.81 1opj s LEU 320 CO 0.08 -0.55 0.06 0.18 -1.32 0.00 0.00 176.35 174.80 1opj n LEU 321 N 2.33 0.00 0.00 -0.68 4.77 0.90 -4.90 117.00 119.42 1opj n LEU 321 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1opj n LEU 321 Cb 0.42 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1opj n LEU 321 CO 0.58 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1opj n GLY 322 N 2.38 -0.20 3.15 -0.72 0.00 -1.06 -5.00 105.19 103.74 1opj n GLY 322 Ca -0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1opj n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1opj s VAL 323 N -2.00 0.13 -0.39 1.61 -7.23 -0.35 -1.13 120.40 111.03 1opj s VAL 323 Ca 0.00 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1opj s VAL 323 Cb 0.00 -1.88 0.15 0.00 0.56 0.00 0.00 36.38 35.21 1opj s VAL 323 CO 0.00 -0.58 0.26 0.00 -0.31 0.00 0.00 175.10 174.47 1opj n THR 325 N 3.58 1.08 0.09 0.00 -2.24 -1.26 -0.92 114.28 114.60 1opj n THR 325 Ca 0.17 -1.46 -0.04 0.00 -2.27 0.00 0.00 64.05 60.45 1opj n THR 325 Cb 0.40 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1opj n THR 325 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1opj h ARG 326 N 0.20 0.00 -2.41 -0.78 2.47 -1.95 -3.48 114.38 108.44 1opj h ARG 326 Ca -0.02 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.81 1opj h ARG 326 Cb 1.22 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.41 1opj h ARG 326 CO 0.01 0.84 0.45 -1.83 0.56 0.00 0.00 179.97 179.99 1opj s GLU 327 N -2.79 0.98 0.65 0.04 1.03 -1.26 -5.13 118.70 112.23 1opj s GLU 327 Ca 0.02 -0.42 -0.17 0.00 0.03 0.00 0.00 54.97 54.43 1opj s GLU 327 Cb 0.09 0.42 -0.01 0.00 -0.80 0.00 0.00 34.13 33.83 1opj s GLU 327 CO 0.80 -0.44 1.22 -2.14 -1.33 0.00 0.00 175.26 173.37 1opj s PRO 328 N -3.26 2.62 -0.03 -4.83 0.02 -1.26 -4.10 135.00 124.16 1opj s PRO 328 Ca 0.06 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 62.66 1opj s PRO 328 Cb -0.01 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1opj s PRO 328 CO -0.07 -1.49 0.79 -1.25 -0.33 0.00 0.00 177.00 174.66 1opj s PRO 329 N -3.55 4.48 0.23 5.54 0.04 -1.26 -5.13 135.00 135.35 1opj s PRO 329 Ca 0.77 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1opj s PRO 329 Cb -0.31 -3.44 -0.10 0.00 0.04 0.00 0.00 34.50 30.69 1opj s PRO 329 CO 0.39 0.06 1.40 -0.06 0.04 0.00 0.00 177.00 178.82 1opj s PHE 330 N 0.75 3.11 0.06 0.56 2.99 -1.26 -4.85 117.98 119.33 1opj s PHE 330 Ca 0.42 1.08 0.06 0.00 0.00 0.00 0.00 56.93 58.49 1opj s PHE 330 Cb -0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 43.02 39.06 1opj s PHE 330 CO 0.22 -2.41 -0.17 0.71 -0.00 0.00 0.00 175.22 173.57 1opj s TYR 331 N 0.08 1.44 -0.13 0.36 4.12 -0.10 -4.01 117.35 119.11 1opj s TYR 331 Ca 0.59 -0.39 0.00 0.00 0.02 0.00 0.00 57.07 57.29 1opj s TYR 331 Cb -0.40 -0.83 0.02 0.00 -1.52 0.00 0.00 41.96 39.23 1opj s TYR 331 CO 0.41 0.08 -0.12 0.42 0.02 0.00 0.00 175.55 176.36 1opj s ILE 332 N -0.99 1.38 -0.17 2.71 1.01 -0.40 -1.61 121.20 123.13 1opj s ILE 332 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1opj s ILE 332 Cb -0.09 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1opj s ILE 332 CO 0.02 0.43 -0.04 -0.63 0.00 0.00 0.00 174.94 174.71 1opj s ILE 333 N 1.49 3.67 0.36 2.92 1.09 -0.29 -0.59 121.20 129.85 1opj s ILE 333 Ca 0.03 -0.42 0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1opj s ILE 333 Cb -0.13 -2.62 -0.05 0.00 -1.06 0.00 0.00 42.46 38.60 1opj s ILE 333 CO -0.09 0.47 0.08 0.42 -0.10 0.00 0.00 174.94 175.72 1opj s THR 334 N 0.74 0.99 0.88 2.92 -4.23 -0.09 -0.07 115.64 116.77 1opj s THR 334 Ca -0.02 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1opj s THR 334 Cb -0.15 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.20 1opj s THR 334 CO 0.02 0.00 1.13 -1.83 -0.54 0.00 0.00 174.62 173.40 1opj s GLU 335 N -3.84 1.35 -0.17 3.99 -1.05 -0.87 -0.96 118.70 117.15 1opj s GLU 335 Ca 0.31 1.42 -0.06 0.00 -0.15 0.00 0.00 54.97 56.48 1opj s GLU 335 Cb 0.06 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.94 1opj s GLU 335 CO 0.15 -2.36 0.04 0.12 0.95 0.00 0.00 175.26 174.16 1opj s PHE 336 N -2.73 3.21 -0.37 4.83 5.36 -1.25 -4.08 117.98 122.95 1opj s PHE 336 Ca 0.65 0.03 -0.13 0.00 -0.96 0.00 0.00 56.93 56.51 1opj s PHE 336 Cb -0.21 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1opj s PHE 336 CO 0.57 0.16 0.26 -1.64 -1.46 0.00 0.00 175.22 173.11 1opj s MET 337 N 0.23 3.16 0.25 10.12 -1.94 -1.26 -4.99 119.30 124.86 1opj s MET 337 Ca 0.03 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.05 1opj s MET 337 Cb -0.13 -3.86 0.39 0.00 2.01 0.00 0.00 34.83 33.24 1opj s MET 337 CO 0.01 -0.61 1.40 2.41 -0.01 0.00 0.00 175.02 178.21 1opj n THR 338 N 5.11 -0.39 0.87 2.05 -1.04 -1.25 -2.06 114.28 117.57 1opj n THR 338 Ca -0.12 2.06 0.07 0.00 -2.04 0.00 0.00 64.05 64.03 1opj n THR 338 Cb 0.48 -2.84 0.22 0.00 -1.82 0.00 0.00 70.33 66.37 1opj n THR 338 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1opj n TYR 339 N -5.45 0.44 -4.32 -1.42 4.02 -0.06 -5.04 117.16 105.33 1opj n TYR 339 Ca 0.14 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1opj n TYR 339 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 1opj n TYR 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opj n GLY 340 N 1.12 -0.93 3.78 2.72 0.00 -0.88 -4.70 105.19 106.30 1opj n GLY 340 Ca 0.14 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1opj n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1opj s ASN 341 N -4.00 6.43 0.30 1.61 2.20 -1.26 -0.82 114.94 119.40 1opj s ASN 341 Ca 0.00 2.19 -0.02 0.00 -0.94 0.00 0.00 52.86 54.10 1opj s ASN 341 Cb 0.00 -2.60 0.45 0.00 -2.00 0.00 0.00 41.25 37.11 1opj s ASN 341 CO 0.00 -0.73 1.95 0.25 -2.94 0.00 0.00 177.10 175.63 1opj h LEU 342 N 2.25 0.91 0.13 3.54 5.85 -0.96 -1.78 115.31 125.25 1opj h LEU 342 Ca -0.49 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1opj h LEU 342 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1opj h LEU 342 CO 0.61 0.69 -0.06 0.25 -0.34 0.00 0.00 178.44 179.58 1opj h LEU 343 N 1.05 -0.15 -0.92 2.25 5.85 -1.79 0.99 115.31 122.59 1opj h LEU 343 Ca 0.28 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1opj h LEU 343 Cb -0.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1opj h LEU 343 CO -0.05 -0.08 0.03 0.44 -0.34 0.00 0.00 178.44 178.44 1opj h ASP 344 N -0.21 0.78 -0.26 1.25 3.32 -1.89 -2.39 116.42 117.03 1opj h ASP 344 Ca -0.02 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1opj h ASP 344 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1opj h ASP 344 CO 0.03 0.83 0.11 0.22 -1.72 0.00 0.00 179.24 178.71 1opj h TYR 345 N 0.77 0.20 -0.95 4.55 3.20 -1.01 0.18 116.97 123.92 1opj h TYR 345 Ca 0.15 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1opj h TYR 345 Cb 0.42 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1opj h TYR 345 CO 0.02 0.11 0.62 -0.07 -1.64 0.00 0.00 178.16 177.20 1opj h LEU 346 N 0.24 1.04 -0.92 2.82 3.38 -0.61 0.48 115.31 121.74 1opj h LEU 346 Ca 0.11 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1opj h LEU 346 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1opj h LEU 346 CO -0.09 0.73 -0.38 0.03 0.09 0.00 0.00 178.44 178.82 1opj h ARG 347 N 1.22 0.00 -0.04 1.13 3.08 -0.88 -3.31 114.38 115.58 1opj h ARG 347 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1opj h ARG 347 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1opj h ARG 347 CO -0.11 0.38 0.00 0.39 -1.07 0.00 0.00 179.97 179.56 1opj n GLU 348 N -3.53 0.62 -1.58 0.04 1.02 -0.01 -5.05 120.64 112.16 1opj n GLU 348 Ca -0.00 -1.18 -0.30 0.00 -0.02 0.00 0.00 57.16 55.66 1opj n GLU 348 Cb 0.51 -1.19 0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1opj n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1opj s ASN 350 N -3.93 6.68 0.53 0.00 3.84 -1.26 -4.91 114.94 115.89 1opj s ASN 350 Ca 0.60 0.55 0.34 0.00 0.21 0.00 0.00 52.86 54.56 1opj s ASN 350 Cb -0.14 -2.51 1.49 0.00 -0.55 0.00 0.00 41.25 39.54 1opj s ASN 350 CO 0.54 -1.06 2.00 0.03 -2.79 0.00 0.00 177.10 175.83 1opj h ARG 351 N 8.81 0.00 -0.38 0.43 3.08 -1.94 -0.56 114.38 123.81 1opj h ARG 351 Ca -0.23 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1opj h ARG 351 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1opj h ARG 351 CO 1.06 0.00 -0.32 0.37 -1.07 0.00 0.00 179.97 180.01 1opj h GLN 352 N 0.00 0.89 0.02 0.04 5.75 -2.00 -3.23 115.11 116.57 1opj h GLN 352 Ca 0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1opj h GLN 352 Cb 0.39 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1opj h GLN 352 CO 0.00 1.10 -0.01 1.49 -2.65 0.00 0.00 178.83 178.76 1opj h GLU 353 N 0.70 -0.02 -4.42 1.69 4.81 -1.80 -3.36 114.58 112.18 1opj h GLU 353 Ca 0.07 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.57 1opj h GLU 353 Cb 0.91 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.16 1opj h GLU 353 CO 0.08 0.73 1.93 0.28 -0.73 0.00 0.00 179.01 181.31 1opj n VAL 354 N -4.72 4.14 -2.16 0.32 0.31 -0.28 -4.81 118.33 111.13 1opj n VAL 354 Ca -0.09 -4.31 -0.26 0.00 -0.01 0.00 0.00 64.34 59.66 1opj n VAL 354 Cb 0.37 -2.43 0.17 0.00 -0.91 0.00 0.00 33.84 31.04 1opj n VAL 354 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1opj n SER 355 N 5.54 0.55 -0.31 4.52 3.41 -1.22 -4.65 113.62 121.46 1opj n SER 355 Ca 0.42 -1.71 0.11 0.00 -0.26 0.00 0.00 58.87 57.43 1opj n SER 355 Cb 0.41 -0.86 0.33 0.00 -0.26 0.00 0.00 64.21 63.83 1opj n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1opj h ALA 356 N -1.36 1.73 -0.53 7.33 0.00 -1.93 -0.18 119.26 124.32 1opj h ALA 356 Ca -0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1opj h ALA 356 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1opj h ALA 356 CO 0.31 0.01 0.27 0.28 0.00 0.00 0.00 179.25 180.13 1opj h VAL 357 N 0.79 1.19 -0.45 0.00 2.07 -1.95 -0.30 116.25 117.60 1opj h VAL 357 Ca 0.48 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1opj h VAL 357 Cb 0.68 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1opj h VAL 357 CO -0.24 0.21 -0.27 0.58 0.02 0.00 0.00 177.57 177.86 1opj h VAL 358 N 0.71 1.27 -0.73 2.57 2.07 -1.56 -1.46 116.25 119.11 1opj h VAL 358 Ca 0.18 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1opj h VAL 358 Cb 0.08 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1opj h VAL 358 CO -0.03 0.49 0.48 -0.07 0.02 0.00 0.00 177.57 178.46 1opj h LEU 359 N 0.83 0.85 -0.84 2.57 3.38 -0.76 0.19 115.31 121.54 1opj h LEU 359 Ca 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1opj h LEU 359 Cb 0.86 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1opj h LEU 359 CO 0.08 0.63 0.39 0.25 0.09 0.00 0.00 178.44 179.88 1opj h LEU 360 N 1.00 1.10 -0.76 1.67 5.85 -0.92 -0.76 115.31 122.49 1opj h LEU 360 Ca 0.27 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1opj h LEU 360 Cb -0.10 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.61 1opj h LEU 360 CO -0.06 0.93 0.39 0.22 -0.34 0.00 0.00 178.44 179.59 1opj h TYR 361 N 1.19 1.06 -0.41 1.25 3.20 -0.42 0.27 116.97 123.11 1opj h TYR 361 Ca 0.29 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1opj h TYR 361 Cb 0.13 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1opj h TYR 361 CO 0.02 0.76 0.05 0.52 -1.64 0.00 0.00 178.16 177.87 1opj h MET 362 N 1.06 0.69 -0.67 1.82 2.86 -0.44 -1.12 114.93 119.13 1opj h MET 362 Ca 0.26 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1opj h MET 362 Cb 0.07 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1opj h MET 362 CO -0.04 0.74 0.33 0.00 1.06 0.00 0.00 176.91 179.01 1opj h ALA 363 N 0.92 0.86 -0.44 6.32 0.00 -0.85 -1.87 119.26 124.19 1opj h ALA 363 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1opj h ALA 363 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1opj h ALA 363 CO 0.01 0.41 0.22 1.15 0.00 0.00 0.00 179.25 181.04 1opj h THR 364 N 0.92 1.18 -0.97 0.00 2.02 -0.72 -1.52 112.91 113.82 1opj h THR 364 Ca 0.23 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1opj h THR 364 Cb 0.10 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1opj h THR 364 CO -0.03 0.19 0.63 1.56 0.37 0.00 0.00 175.52 178.24 1opj h GLN 365 N 0.58 1.29 -0.53 6.66 4.20 -0.95 -0.75 115.11 125.60 1opj h GLN 365 Ca 0.15 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1opj h GLN 365 Cb 0.10 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1opj h GLN 365 CO -0.02 0.87 0.10 0.82 -0.67 0.00 0.00 178.83 179.93 1opj h ILE 366 N 1.33 1.25 0.00 2.54 2.04 -1.03 -1.96 117.51 121.67 1opj h ILE 366 Ca 0.35 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1opj h ILE 366 Cb -0.13 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1opj h ILE 366 CO -0.07 0.34 -0.20 0.77 0.00 0.00 0.00 178.15 178.98 1opj h SER 367 N 0.76 0.00 -0.41 1.72 4.64 -0.61 -1.67 113.55 117.98 1opj h SER 367 Ca 0.16 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1opj h SER 367 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1opj h SER 367 CO 0.01 0.20 -0.23 -1.28 -0.87 0.00 0.00 176.83 174.65 1opj h SER 368 N 0.00 0.92 -0.53 4.97 0.87 -0.47 0.54 113.55 119.85 1opj h SER 368 Ca -0.00 -0.42 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 1opj h SER 368 Cb 0.38 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1opj h SER 368 CO 0.03 1.13 -0.06 0.00 -0.53 0.00 0.00 176.83 177.39 1opj h ALA 369 N 0.81 0.84 0.00 6.23 0.00 -0.82 -2.31 119.26 124.01 1opj h ALA 369 Ca 0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1opj h ALA 369 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1opj h ALA 369 CO 0.07 0.66 -0.63 0.52 0.00 0.00 0.00 179.25 179.87 1opj h MET 370 N 0.91 0.00 -0.71 0.00 2.86 -1.15 -1.54 114.93 115.29 1opj h MET 370 Ca 0.15 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1opj h MET 370 Cb 0.62 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1opj h MET 370 CO 0.04 0.63 0.17 1.49 1.06 0.00 0.00 176.91 180.29 1opj h GLU 371 N 0.00 1.15 -0.05 1.72 4.81 -0.68 0.20 114.58 121.73 1opj h GLU 371 Ca -0.01 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1opj h GLU 371 Cb 1.18 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1opj h GLU 371 CO 0.08 1.01 0.02 -0.92 -0.73 0.00 0.00 179.01 178.47 1opj h TYR 372 N 1.09 0.07 -0.82 0.92 3.20 -1.06 -0.98 116.97 119.39 1opj h TYR 372 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1opj h TYR 372 Cb 0.39 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1opj h TYR 372 CO 0.03 0.21 0.37 -0.07 -1.64 0.00 0.00 178.16 177.05 1opj h LEU 373 N -0.08 1.09 -0.10 2.82 3.38 -1.08 -2.07 115.31 119.26 1opj h LEU 373 Ca 0.02 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1opj h LEU 373 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1opj h LEU 373 CO -0.00 0.93 -0.07 -0.08 0.09 0.00 0.00 178.44 179.31 1opj h GLU 374 N 1.17 -0.08 0.00 1.13 4.81 -0.32 -0.50 114.58 120.80 1opj h GLU 374 Ca 0.28 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1opj h GLU 374 Cb 0.15 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1opj h GLU 374 CO -0.03 -0.05 -0.12 1.57 -0.73 0.00 0.00 179.01 179.65 1opj h LYS 375 N -0.08 0.00 -0.49 1.92 2.10 -0.93 -1.98 116.57 117.11 1opj h LYS 375 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1opj h LYS 375 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1opj h LYS 375 CO -0.15 0.12 0.00 1.63 -2.00 0.00 0.00 179.45 179.05 1opj n LYS 376 N -3.29 2.24 -3.44 0.07 5.02 -0.80 -4.92 118.16 113.04 1opj n LYS 376 Ca 0.00 -1.58 -0.24 0.00 -2.02 0.00 0.00 58.31 54.47 1opj n LYS 376 Cb 0.35 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1opj n LYS 376 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1opj n ASN 377 N 0.67 -6.27 -4.77 4.39 3.02 -0.74 -5.02 115.26 106.53 1opj n ASN 377 Ca 0.15 -0.47 -0.23 0.00 -0.03 0.00 0.00 54.58 54.00 1opj n ASN 377 Cb 0.45 -4.97 -0.05 0.00 -0.61 0.00 0.00 39.78 34.59 1opj n ASN 377 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1opj s PHE 378 N -3.28 3.00 0.06 3.10 0.40 -0.24 -5.04 117.98 115.99 1opj s PHE 378 Ca 0.51 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.78 1opj s PHE 378 Cb -0.23 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 1opj s PHE 378 CO 0.63 0.55 -0.20 0.42 0.70 0.00 0.00 175.22 177.32 1opj s ILE 379 N -2.14 1.59 -0.15 0.64 1.01 -1.26 -4.24 121.20 116.65 1opj s ILE 379 Ca 0.32 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 1opj s ILE 379 Cb -0.08 -1.42 -0.13 0.00 0.01 0.00 0.00 42.46 40.85 1opj s ILE 379 CO 0.23 0.08 0.21 -0.74 0.00 0.00 0.00 174.94 174.72 1opj h HIS 380 N 4.59 0.00 0.00 3.97 -0.00 -1.96 -3.49 115.15 118.26 1opj h HIS 380 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1opj h HIS 380 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1opj h HIS 380 CO 0.55 0.70 0.00 -2.13 -0.00 0.00 0.00 177.93 177.05 1opj n ARG 381 N -4.59 0.00 -2.72 5.26 0.63 -1.26 -4.83 116.66 109.15 1opj n ARG 381 Ca -0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.70 1opj n ARG 381 Cb 0.39 -0.88 0.06 0.00 0.45 0.00 0.00 32.46 32.48 1opj n ARG 381 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1opj n ASP 382 N 0.00 0.02 -4.72 6.15 2.03 -1.26 -5.05 116.55 113.71 1opj n ASP 382 Ca 0.00 -2.71 -0.42 0.00 0.52 0.00 0.00 54.79 52.19 1opj n ASP 382 Cb 0.00 0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 1opj n ASP 382 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1opj s LEU 383 N -3.04 4.42 -0.14 -2.67 2.96 -1.26 -4.81 118.68 114.13 1opj s LEU 383 Ca 0.26 2.04 -0.34 0.00 -0.22 0.00 0.00 54.13 55.87 1opj s LEU 383 Cb 0.42 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.65 1opj s LEU 383 CO -0.02 -0.37 1.21 0.00 -1.32 0.00 0.00 176.35 175.85 1opj s ALA 384 N 0.52 -2.09 0.40 5.97 0.00 -1.26 -4.71 121.76 120.59 1opj s ALA 384 Ca 0.55 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.94 1opj s ALA 384 Cb -0.29 0.02 0.82 0.00 0.00 0.00 0.00 23.12 23.67 1opj s ALA 384 CO 0.32 -0.71 1.98 0.00 0.00 0.00 0.00 175.76 177.35 1opj h ALA 385 N 2.00 1.60 0.00 0.00 0.00 -1.94 -1.59 119.26 119.32 1opj h ALA 385 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1opj h ALA 385 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1opj h ALA 385 CO 0.24 0.31 0.00 0.07 0.00 0.00 0.00 179.25 179.87 1opj h ARG 386 N 0.38 0.00 -0.63 0.00 0.11 -1.96 -1.77 114.38 110.51 1opj h ARG 386 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1opj h ARG 386 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1opj h ARG 386 CO -0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1opj n ASN 387 N -2.89 4.80 -4.54 0.08 3.02 -0.60 -4.78 115.26 110.35 1opj n ASN 387 Ca -0.02 -2.50 -0.28 0.00 -0.03 0.00 0.00 54.58 51.76 1opj n ASN 387 Cb 0.12 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 1opj n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1opj s LEU 389 N -2.60 2.51 -0.08 0.00 1.43 0.02 -0.73 118.68 119.25 1opj s LEU 389 Ca 0.23 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1opj s LEU 389 Cb -0.09 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1opj s LEU 389 CO 0.13 0.12 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 1opj s VAL 390 N -1.63 1.66 0.00 -1.59 1.01 -0.00 -1.11 120.40 118.74 1opj s VAL 390 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1opj s VAL 390 Cb -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1opj s VAL 390 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1opj n GLY 391 N 3.50 5.80 3.75 4.51 0.00 0.67 -0.88 105.19 122.54 1opj n GLY 391 Ca -0.20 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 1opj n GLY 391 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1opj s GLU 392 N 1.77 3.13 -1.49 1.61 8.01 -1.26 -3.35 118.70 127.12 1opj s GLU 392 Ca 0.00 1.92 -0.13 0.00 0.01 0.00 0.00 54.97 56.77 1opj s GLU 392 Cb 0.00 -2.08 0.07 0.00 -4.31 0.00 0.00 34.13 27.81 1opj s GLU 392 CO 0.00 -1.10 1.01 0.09 0.01 0.00 0.00 175.26 175.26 1opj n ASN 393 N -1.29 -5.19 -2.00 -0.19 3.02 -1.26 -1.94 115.26 106.41 1opj n ASN 393 Ca 0.12 -0.70 -0.20 0.00 -0.03 0.00 0.00 54.58 53.77 1opj n ASN 393 Cb 0.48 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 35.47 1opj n ASN 393 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1opj n HIS 394 N -4.74 -0.55 -2.25 3.10 8.25 -1.21 -4.94 115.22 112.89 1opj n HIS 394 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1opj n HIS 394 Cb 0.53 -3.63 -0.03 0.00 1.12 0.00 0.00 29.99 27.98 1opj n HIS 394 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1opj s LEU 395 N -5.33 4.42 -0.03 2.41 2.96 -0.82 -4.76 118.68 117.53 1opj s LEU 395 Ca 0.00 2.36 0.07 0.00 -0.22 0.00 0.00 54.13 56.34 1opj s LEU 395 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1opj s LEU 395 CO 0.00 -0.51 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.61 1opj s VAL 396 N 0.15 1.81 -0.03 1.68 1.01 -1.26 -0.23 120.40 123.53 1opj s VAL 396 Ca 0.56 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1opj s VAL 396 Cb -0.36 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1opj s VAL 396 CO 0.37 0.51 -0.16 -0.54 0.00 0.00 0.00 175.10 175.29 1opj s LYS 397 N -0.43 1.50 0.04 2.72 1.02 -0.27 -4.56 119.74 119.76 1opj s LYS 397 Ca 0.06 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.22 1opj s LYS 397 Cb -0.10 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1opj s LYS 397 CO 0.00 0.26 0.84 0.08 -0.92 0.00 0.00 175.35 175.61 1opj s VAL 398 N -0.09 4.73 0.21 3.17 1.01 0.15 -0.80 120.40 128.78 1opj s VAL 398 Ca -0.00 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.78 1opj s VAL 398 Cb -0.09 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1opj s VAL 398 CO 0.01 0.31 0.05 0.00 0.00 0.00 0.00 175.10 175.47 1opj n ALA 399 N 3.08 0.26 -3.29 5.51 0.00 0.03 -2.69 120.51 123.40 1opj n ALA 399 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 1opj n ALA 399 Cb 0.50 0.65 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 1opj n ALA 399 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1opj s ASP 400 N -2.23 0.17 0.00 0.00 2.15 -1.26 -4.76 116.67 110.75 1opj s ASP 400 Ca 0.08 -0.47 0.17 0.00 0.43 0.00 0.00 52.55 52.76 1opj s ASP 400 Cb 0.00 1.19 0.61 0.00 -0.30 0.00 0.00 42.92 44.42 1opj s ASP 400 CO 0.05 -0.33 1.45 0.49 -0.17 0.00 0.00 175.17 176.66 1opj n PHE 401 N 5.21 0.29 -3.77 -5.34 0.99 -1.26 -4.93 117.46 108.64 1opj n PHE 401 Ca 0.03 -0.14 -0.30 0.00 -0.00 0.00 0.00 57.45 57.03 1opj n PHE 401 Cb 0.50 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 39.00 1opj n PHE 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1opj n GLY 402 N 1.09 -0.73 0.19 1.37 0.00 -1.26 -4.87 105.19 100.97 1opj n GLY 402 Ca 0.14 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.58 1opj n GLY 402 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1opj h LEU 403 N -1.91 0.00 -0.34 0.99 3.38 -1.94 -3.40 115.31 112.10 1opj h LEU 403 Ca -0.65 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.37 1opj h LEU 403 Cb 1.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 1opj h LEU 403 CO 0.53 0.31 -0.12 -1.54 0.09 0.00 0.00 178.44 177.71 1opj n SER 404 N -3.28 -0.19 -0.01 -0.43 3.41 -1.26 -0.46 113.62 111.40 1opj n SER 404 Ca 0.01 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 1opj n SER 404 Cb 0.58 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1opj n SER 404 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1opj n ARG 405 N -4.51 0.75 0.04 4.33 1.74 -1.26 -4.50 116.66 113.24 1opj n ARG 405 Ca 0.04 -0.11 -0.20 0.00 -0.77 0.00 0.00 57.85 56.81 1opj n ARG 405 Cb 0.14 -1.40 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 1opj n ARG 405 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1opj h LEU 406 N 0.00 0.69 -9.83 0.55 3.38 -0.97 -3.46 115.31 105.66 1opj h LEU 406 Ca 0.00 -0.81 -0.56 0.00 0.09 0.00 0.00 57.88 56.60 1opj h LEU 406 Cb 0.70 -0.21 0.12 0.00 0.09 0.00 0.00 40.66 41.36 1opj h LEU 406 CO 0.00 1.42 0.48 0.23 0.09 0.00 0.00 178.44 180.66 1opj n MET 407 N -4.02 1.90 -3.94 1.13 2.81 0.00 -4.97 117.12 110.03 1opj n MET 407 Ca -0.12 0.68 -0.23 0.00 -1.81 0.00 0.00 57.70 56.22 1opj n MET 407 Cb 0.82 -2.38 -0.06 0.00 -0.71 0.00 0.00 33.22 30.90 1opj n MET 407 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1opj s THR 408 N -1.21 2.64 0.00 2.03 -4.23 -1.26 -4.91 115.64 108.70 1opj s THR 408 Ca 0.61 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1opj s THR 408 Cb -0.50 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1opj s THR 408 CO 0.58 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1opj n GLY 409 N -1.31 -1.75 0.66 3.99 0.00 -1.26 -4.44 105.19 101.08 1opj n GLY 409 Ca -0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1opj n GLY 409 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1opj n ASP 410 N 0.18 2.06 0.01 1.61 8.00 -1.26 -4.47 116.55 122.68 1opj n ASP 410 Ca 0.00 -1.69 -0.11 0.00 0.71 0.00 0.00 54.79 53.69 1opj n ASP 410 Cb 0.00 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1opj n ASP 410 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1opj h THR 411 N 3.14 0.23 -3.52 -3.53 2.02 -1.94 -3.38 112.91 105.94 1opj h THR 411 Ca 0.00 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.54 1opj h THR 411 Cb 0.67 0.23 -0.20 0.00 -1.74 0.00 0.00 68.15 67.11 1opj h THR 411 CO 0.00 0.00 -0.60 -0.31 0.37 0.00 0.00 175.52 174.98 1opj s TYR 412 N -5.96 3.14 0.17 3.16 1.51 -1.26 -3.84 117.35 114.28 1opj s TYR 412 Ca -0.15 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1opj s TYR 412 Cb 0.10 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1opj s TYR 412 CO 0.65 -0.14 -0.17 0.95 -1.11 0.00 0.00 175.55 175.73 1opj s THR 413 N 1.09 1.79 0.24 -0.71 -4.23 0.27 -4.80 115.64 109.29 1opj s THR 413 Ca 0.04 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.29 1opj s THR 413 Cb -0.14 -1.86 -0.14 0.00 1.34 0.00 0.00 72.50 71.70 1opj s THR 413 CO 0.03 -0.36 1.38 0.00 -0.54 0.00 0.00 174.62 175.13 1opj n ALA 414 N 0.20 0.93 -3.65 3.99 0.00 -1.26 -0.26 120.51 120.46 1opj n ALA 414 Ca -0.12 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 1opj n ALA 414 Cb 0.58 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 1opj n ALA 414 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1opj s HIS 415 N -0.13 -0.27 -1.60 0.00 5.04 0.65 -4.80 115.29 114.18 1opj s HIS 415 Ca 0.68 0.57 -0.16 0.00 -1.54 0.00 0.00 55.06 54.60 1opj s HIS 415 Cb -0.66 0.24 0.13 0.00 0.04 0.00 0.00 32.58 32.33 1opj s HIS 415 CO 0.51 -0.13 0.82 0.00 -2.34 0.00 0.00 174.74 173.59 1opj n ALA 416 N 2.96 -1.23 -0.83 1.58 0.00 -1.26 -0.48 120.51 121.25 1opj n ALA 416 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1opj n ALA 416 Cb 0.57 -3.75 0.00 0.00 0.00 0.00 0.00 19.45 16.27 1opj n ALA 416 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1opj n GLY 417 N -1.45 1.07 0.67 0.00 0.00 -1.26 -4.97 105.19 99.25 1opj n GLY 417 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1opj n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opj n ALA 418 N 0.90 0.12 -3.33 4.61 0.00 0.37 -5.13 120.51 118.05 1opj n ALA 418 Ca 0.00 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 1opj n ALA 418 Cb 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1opj n ALA 418 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1opj s LYS 419 N -2.31 2.73 -0.09 0.00 -0.14 -1.26 -0.25 119.74 118.42 1opj s LYS 419 Ca 0.04 -1.09 -0.03 0.00 -1.36 0.00 0.00 55.97 53.54 1opj s LYS 419 Cb 0.00 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 1opj s LYS 419 CO 0.03 -0.57 0.03 -0.06 -0.76 0.00 0.00 175.35 174.02 1opj s PHE 420 N 1.40 3.24 -1.12 3.18 2.99 0.64 -4.74 117.98 123.57 1opj s PHE 420 Ca -0.01 0.25 -0.17 0.00 0.00 0.00 0.00 56.93 57.00 1opj s PHE 420 Cb -0.19 -1.82 0.13 0.00 0.00 0.00 0.00 43.02 41.14 1opj s PHE 420 CO 0.01 0.51 1.39 -1.25 -0.00 0.00 0.00 175.22 175.88 1opj s PRO 421 N -0.88 3.88 0.29 0.24 0.04 -1.26 -0.56 135.00 136.75 1opj s PRO 421 Ca 0.13 -2.11 0.02 0.00 0.04 0.00 0.00 61.00 59.09 1opj s PRO 421 Cb -0.11 -5.12 0.71 0.00 0.04 0.00 0.00 34.50 30.02 1opj s PRO 421 CO 0.03 -1.88 1.67 0.82 0.04 0.00 0.00 177.00 177.67 1opj h ILE 422 N 5.35 0.38 0.00 0.56 1.08 -1.90 -1.31 117.51 121.67 1opj h ILE 422 Ca 0.28 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1opj h ILE 422 Cb 0.93 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1opj h ILE 422 CO 1.25 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 179.05 1opj n LYS 423 N -5.16 0.02 -0.04 2.37 5.02 -1.26 -1.57 118.16 117.55 1opj n LYS 423 Ca 0.21 0.33 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1opj n LYS 423 Cb 0.67 -1.55 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 1opj n LYS 423 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1opj n TRP 424 N -1.59 0.10 -3.35 2.13 8.01 -0.51 -4.97 117.44 117.27 1opj n TRP 424 Ca 0.02 -0.14 -0.38 0.00 -1.31 0.00 0.00 57.50 55.70 1opj n TRP 424 Cb 0.14 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.36 1opj n TRP 424 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1opj s THR 425 N -0.83 5.20 0.62 -0.99 2.01 -0.61 -3.98 115.64 117.07 1opj s THR 425 Ca 0.13 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.81 1opj s THR 425 Cb 0.08 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1opj s THR 425 CO 0.12 0.31 1.22 0.00 -0.69 0.00 0.00 174.62 175.58 1opj s ALA 426 N 0.81 2.46 0.25 7.40 0.00 -1.26 -4.78 121.76 126.64 1opj s ALA 426 Ca 0.23 1.02 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 1opj s ALA 426 Cb -0.15 -3.47 0.45 0.00 0.00 0.00 0.00 23.12 19.96 1opj s ALA 426 CO 0.09 -1.33 1.79 -1.00 0.00 0.00 0.00 175.76 175.30 1opj h PRO 427 N 0.66 0.70 0.00 0.00 0.13 -1.95 -0.70 132.00 130.84 1opj h PRO 427 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1opj h PRO 427 Cb 1.30 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1opj h PRO 427 CO 0.54 0.46 -0.15 1.05 -0.23 0.00 0.00 178.00 179.67 1opj h GLU 428 N 0.72 0.00 0.08 0.86 9.09 -1.88 0.24 114.58 123.70 1opj h GLU 428 Ca 0.42 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.55 1opj h GLU 428 Cb 0.48 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.61 1opj h GLU 428 CO -0.29 0.15 -1.17 0.77 0.05 0.00 0.00 179.01 178.51 1opj h SER 429 N 0.00 0.83 -0.18 3.06 0.02 -1.18 -0.88 113.55 115.22 1opj h SER 429 Ca -0.00 -0.73 -0.04 0.00 -0.84 0.00 0.00 61.79 60.18 1opj h SER 429 Cb 0.61 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1opj h SER 429 CO 0.02 1.54 -0.04 -0.07 -1.14 0.00 0.00 176.83 177.14 1opj h LEU 430 N 0.29 0.34 0.00 5.07 3.38 -0.63 -1.95 115.31 121.82 1opj h LEU 430 Ca -0.16 -0.36 -0.21 0.00 0.09 0.00 0.00 57.88 57.24 1opj h LEU 430 Cb 1.84 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1opj h LEU 430 CO 0.22 0.62 -1.50 0.00 0.09 0.00 0.00 178.44 177.87 1opj h ALA 431 N 0.73 0.70 0.00 1.53 0.00 -1.07 -3.40 119.26 117.75 1opj h ALA 431 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1opj h ALA 431 Cb 0.47 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1opj h ALA 431 CO 0.02 1.15 0.00 0.66 0.00 0.00 0.00 179.25 181.08 1opj n TYR 432 N -2.95 0.00 -3.28 0.00 4.02 -0.39 -5.01 117.16 109.54 1opj n TYR 432 Ca -0.12 -0.29 -0.23 0.00 -0.01 0.00 0.00 57.90 57.25 1opj n TYR 432 Cb 0.91 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 40.21 1opj n TYR 432 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1opj n ASN 433 N -0.29 -4.30 -4.54 7.72 3.02 -0.73 -4.92 115.26 111.22 1opj n ASN 433 Ca 0.00 -0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 53.78 1opj n ASN 433 Cb 0.33 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.87 1opj n ASN 433 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1opj s LYS 434 N -5.94 3.58 -0.01 3.52 2.47 -0.85 -4.93 119.74 117.57 1opj s LYS 434 Ca 0.38 -0.50 0.05 0.00 -1.56 0.00 0.00 55.97 54.34 1opj s LYS 434 Cb -0.19 -3.79 -0.03 0.00 -1.46 0.00 0.00 37.83 32.36 1opj s LYS 434 CO 0.47 -0.46 -0.17 -0.06 0.16 0.00 0.00 175.35 175.29 1opj s PHE 435 N 1.87 2.61 0.36 4.03 0.40 -1.26 -3.38 117.98 122.61 1opj s PHE 435 Ca 0.09 -0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 56.03 1opj s PHE 435 Cb -0.17 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 41.87 1opj s PHE 435 CO 0.11 0.19 0.84 -1.54 0.70 0.00 0.00 175.22 175.52 1opj s SER 436 N -0.99 0.03 0.51 1.36 1.04 -1.26 -4.96 113.70 109.44 1opj s SER 436 Ca 0.13 -1.12 0.21 0.00 0.48 0.00 0.00 55.95 55.65 1opj s SER 436 Cb -0.10 0.80 1.36 0.00 0.10 0.00 0.00 66.02 68.18 1opj s SER 436 CO 0.02 -1.60 2.11 -0.29 0.98 0.00 0.00 173.24 174.45 1opj h ILE 437 N 2.00 0.83 0.00 -1.02 6.09 -1.98 -1.17 117.51 122.25 1opj h ILE 437 Ca -0.33 -0.33 -0.08 0.00 -1.37 0.00 0.00 64.86 62.75 1opj h ILE 437 Cb 1.24 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.71 1opj h ILE 437 CO 0.42 0.09 -0.38 0.11 -3.07 0.00 0.00 178.15 175.31 1opj h LYS 438 N 0.00 0.00 0.00 2.19 1.79 -1.94 -1.50 116.57 117.10 1opj h LYS 438 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 1opj h LYS 438 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1opj h LYS 438 CO 0.01 0.38 -0.59 0.66 -1.08 0.00 0.00 179.45 178.83 1opj h SER 439 N 0.00 0.00 -0.39 0.86 4.64 -1.58 -2.54 113.55 114.55 1opj h SER 439 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1opj h SER 439 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1opj h SER 439 CO 0.05 0.59 -0.13 0.44 -0.87 0.00 0.00 176.83 176.91 1opj h ASP 440 N 0.00 0.85 -0.52 4.97 3.45 -0.86 -1.91 116.42 122.39 1opj h ASP 440 Ca -0.01 -0.27 -0.00 0.00 0.43 0.00 0.00 57.03 57.18 1opj h ASP 440 Cb 1.28 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.80 1opj h ASP 440 CO 0.08 0.98 0.31 0.58 -1.57 0.00 0.00 179.24 179.62 1opj h VAL 441 N 0.76 1.16 -0.36 -1.35 2.07 -1.04 0.31 116.25 117.80 1opj h VAL 441 Ca 0.12 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1opj h VAL 441 Cb 0.64 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1opj h VAL 441 CO 0.04 0.16 0.19 -0.25 0.02 0.00 0.00 177.57 177.74 1opj h TRP 442 N 0.70 0.35 -0.94 1.57 2.91 -1.23 -0.94 115.95 118.37 1opj h TRP 442 Ca 0.19 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.23 1opj h TRP 442 Cb -0.01 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 28.49 1opj h TRP 442 CO -0.03 0.19 0.61 0.00 -1.03 0.00 0.00 178.44 178.19 1opj h ALA 443 N 1.18 1.30 -0.78 2.65 0.00 -0.84 -1.68 119.26 121.10 1opj h ALA 443 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1opj h ALA 443 Cb 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1opj h ALA 443 CO -0.09 0.63 0.50 0.35 0.00 0.00 0.00 179.25 180.64 1opj h PHE 444 N 1.28 1.00 -0.85 0.00 3.57 0.33 0.09 116.94 122.36 1opj h PHE 444 Ca 0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1opj h PHE 444 Cb -0.13 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.24 1opj h PHE 444 CO 0.00 0.64 0.48 0.78 -2.23 0.00 0.00 178.31 177.98 1opj h GLY 445 N 1.07 1.25 1.28 2.40 0.00 -0.26 0.31 103.07 109.12 1opj h GLY 445 Ca 0.28 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1opj h GLY 445 CO -0.06 0.52 -0.22 -2.08 0.00 0.00 0.00 176.54 174.70 1opj h VAL 446 N 1.18 1.27 -0.57 4.60 2.07 -0.88 -2.05 116.25 121.87 1opj h VAL 446 Ca 0.30 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1opj h VAL 446 Cb 0.00 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1opj h VAL 446 CO -0.05 0.45 0.10 0.25 0.02 0.00 0.00 177.57 178.34 1opj h LEU 447 N 0.72 0.86 -0.96 2.57 5.85 -0.21 0.23 115.31 124.37 1opj h LEU 447 Ca 0.10 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1opj h LEU 447 Cb 0.75 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1opj h LEU 447 CO 0.06 0.86 0.37 0.25 -0.34 0.00 0.00 178.44 179.64 1opj h LEU 448 N 0.86 1.01 -0.70 2.25 5.85 -0.16 0.10 115.31 124.53 1opj h LEU 448 Ca 0.18 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1opj h LEU 448 Cb 0.37 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1opj h LEU 448 CO 0.01 0.85 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.66 1opj h TRP 449 N 1.11 1.04 -0.38 1.25 7.01 -0.58 0.39 115.95 125.80 1opj h TRP 449 Ca 0.27 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1opj h TRP 449 Cb 0.11 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 1opj h TRP 449 CO 0.01 0.96 0.25 0.93 -2.79 0.00 0.00 178.44 177.80 1opj h GLU 450 N 0.86 0.50 -0.11 2.65 5.08 -0.10 -1.94 114.58 121.53 1opj h GLU 450 Ca 0.15 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1opj h GLU 450 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1opj h GLU 450 CO 0.04 0.33 0.06 0.82 -1.00 0.00 0.00 179.01 179.26 1opj h ILE 451 N 0.51 1.08 0.00 3.13 2.04 -0.67 0.20 117.51 123.81 1opj h ILE 451 Ca 0.14 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1opj h ILE 451 Cb -0.06 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1opj h ILE 451 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1opj h ALA 452 N 0.97 1.00 -0.35 1.87 0.00 -0.66 -2.21 119.26 119.88 1opj h ALA 452 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1opj h ALA 452 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1opj h ALA 452 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1opj n THR 453 N -2.82 1.34 -3.08 0.00 -2.24 -0.75 -4.87 114.28 101.86 1opj n THR 453 Ca -0.02 -1.21 -0.23 0.00 -2.27 0.00 0.00 64.05 60.32 1opj n THR 453 Cb 0.12 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1opj n THR 453 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1opj n TYR 454 N 0.33 -1.98 -1.01 4.78 4.01 -0.83 -3.48 117.16 118.98 1opj n TYR 454 Ca 0.15 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 1opj n TYR 454 Cb 0.56 -4.34 0.00 0.00 -0.31 0.00 0.00 39.34 35.25 1opj n TYR 454 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1opj n GLY 455 N -1.50 1.11 3.81 2.72 0.00 0.67 -3.30 105.19 108.70 1opj n GLY 455 Ca -0.10 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1opj n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1opj s MET 456 N -2.47 2.57 -0.01 1.61 -1.94 -1.23 -4.89 119.30 112.95 1opj s MET 456 Ca 0.00 0.83 -0.22 0.00 -1.71 0.00 0.00 55.69 54.59 1opj s MET 456 Cb 0.00 -1.96 -0.05 0.00 2.01 0.00 0.00 34.83 34.83 1opj s MET 456 CO 0.00 -1.32 0.65 -1.12 -0.01 0.00 0.00 175.02 173.22 1opj s SER 457 N -3.83 7.02 0.81 3.03 0.01 -1.26 -4.77 113.70 114.72 1opj s SER 457 Ca 0.59 1.22 -0.12 0.00 1.31 0.00 0.00 55.95 58.96 1opj s SER 457 Cb -0.14 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1opj s SER 457 CO 0.55 0.03 1.15 -2.16 0.41 0.00 0.00 173.24 173.22 1opj s PRO 458 N 0.08 1.72 -1.46 12.44 0.04 -1.26 -3.83 135.00 142.73 1opj s PRO 458 Ca 0.34 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 1opj s PRO 458 Cb -0.19 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1opj s PRO 458 CO 0.18 -2.10 0.20 0.66 0.04 0.00 0.00 177.00 175.98 1opj n TYR 459 N -3.54 -1.33 -1.72 0.56 4.02 -1.26 -4.82 117.16 109.07 1opj n TYR 459 Ca 0.12 0.50 -0.42 0.00 -0.01 0.00 0.00 57.90 58.08 1opj n TYR 459 Cb 0.52 -2.89 -0.03 0.00 -0.02 0.00 0.00 39.34 36.92 1opj n TYR 459 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1opj n PRO 460 N -4.67 2.71 -1.00 -0.72 -0.04 -1.25 -2.26 135.00 127.77 1opj n PRO 460 Ca -0.28 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1opj n PRO 460 Cb 0.67 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1opj n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1opj n GLY 461 N 3.35 0.93 3.76 0.55 0.00 -1.26 -5.02 105.19 107.50 1opj n GLY 461 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1opj n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1opj s ILE 462 N -3.72 5.35 0.05 -0.61 1.01 -0.96 -5.06 121.20 117.26 1opj s ILE 462 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 1opj s ILE 462 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1opj s ILE 462 CO 0.00 0.45 0.91 1.51 0.00 0.00 0.00 174.94 177.81 1opj s ASP 463 N 0.10 7.36 0.55 3.58 1.47 -1.26 -4.91 116.67 123.57 1opj s ASP 463 Ca 0.14 1.64 0.36 0.00 1.18 0.00 0.00 52.55 55.86 1opj s ASP 463 Cb -0.12 -2.54 1.51 0.00 -0.34 0.00 0.00 42.92 41.42 1opj s ASP 463 CO 0.03 -0.11 1.77 -0.07 0.68 0.00 0.00 175.17 177.47 1opj h LEU 464 N 6.04 0.00 -1.19 2.11 3.38 -1.97 0.10 115.31 123.78 1opj h LEU 464 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1opj h LEU 464 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1opj h LEU 464 CO 0.73 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.03 1opj h SER 465 N 0.00 0.00 -0.01 -0.43 4.64 -2.05 -2.79 113.55 112.91 1opj h SER 465 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1opj h SER 465 Cb 2.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 1opj h SER 465 CO -0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.60 1opj n GLN 466 N -2.69 1.90 -0.06 4.77 1.13 0.01 -4.67 117.38 117.78 1opj n GLN 466 Ca 0.01 -0.63 -0.07 0.00 -1.94 0.00 0.00 57.00 54.37 1opj n GLN 466 Cb 0.25 -1.21 -0.02 0.00 0.11 0.00 0.00 30.24 29.38 1opj n GLN 466 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1opj h VAL 467 N 1.34 0.72 0.01 5.09 2.07 -1.42 -1.53 116.25 122.53 1opj h VAL 467 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1opj h VAL 467 Cb 0.46 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1opj h VAL 467 CO 0.00 0.00 -0.02 0.22 0.02 0.00 0.00 177.57 177.79 1opj h TYR 468 N -0.02 -0.04 -0.74 1.57 3.20 -1.83 0.17 116.97 119.28 1opj h TYR 468 Ca 0.12 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1opj h TYR 468 Cb 0.21 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1opj h TYR 468 CO -0.26 -0.03 0.42 0.93 -1.64 0.00 0.00 178.16 177.58 1opj h GLU 469 N -0.03 0.72 -0.05 1.82 4.39 -1.84 0.45 114.58 120.04 1opj h GLU 469 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1opj h GLU 469 Cb 0.04 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1opj h GLU 469 CO -0.01 0.48 0.02 -0.07 -1.16 0.00 0.00 179.01 178.27 1opj h LEU 470 N 0.75 0.06 -1.02 1.33 3.38 -0.89 -1.83 115.31 117.08 1opj h LEU 470 Ca 0.34 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1opj h LEU 470 Cb 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1opj h LEU 470 CO -0.20 0.15 0.42 -0.07 0.09 0.00 0.00 178.44 178.83 1opj h LEU 471 N -0.03 1.00 -1.81 1.67 3.38 0.04 -0.32 115.31 119.24 1opj h LEU 471 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1opj h LEU 471 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1opj h LEU 471 CO -0.00 0.81 -0.14 -0.08 0.09 0.00 0.00 178.44 179.11 1opj h GLU 472 N 1.12 0.00 -0.79 1.13 4.81 0.19 -1.12 114.58 119.92 1opj h GLU 472 Ca 0.28 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1opj h GLU 472 Cb 0.04 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 1opj h GLU 472 CO -0.04 0.14 0.21 1.63 -0.73 0.00 0.00 179.01 180.22 1opj n LYS 473 N -4.06 3.38 -1.20 1.92 4.76 -0.70 -4.90 118.16 117.36 1opj n LYS 473 Ca -0.02 -2.56 -0.07 0.00 -2.87 0.00 0.00 58.31 52.79 1opj n LYS 473 Cb 0.23 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.31 1opj n LYS 473 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1opj n ASP 474 N -0.02 -4.33 -4.77 4.39 8.00 -0.42 -5.01 116.55 114.39 1opj n ASP 474 Ca 0.33 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.61 1opj n ASP 474 Cb 1.21 -2.44 -0.01 0.00 -0.02 0.00 0.00 41.12 39.86 1opj n ASP 474 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1opj s TYR 475 N -2.09 2.93 -0.01 1.24 5.04 -0.21 -4.98 117.35 119.27 1opj s TYR 475 Ca 0.00 1.48 -0.16 0.00 -2.44 0.00 0.00 57.07 55.95 1opj s TYR 475 Cb 0.00 -3.55 0.03 0.00 0.35 0.00 0.00 41.96 38.79 1opj s TYR 475 CO 0.00 -1.74 0.33 1.03 -1.34 0.00 0.00 175.55 173.83 1opj s ARG 476 N -2.26 0.70 0.34 4.97 1.81 -1.26 -4.37 118.95 118.89 1opj s ARG 476 Ca 0.57 -0.20 -0.28 0.00 -1.72 0.00 0.00 55.73 54.09 1opj s ARG 476 Cb -0.35 0.31 -0.12 0.00 -0.45 0.00 0.00 34.95 34.35 1opj s ARG 476 CO 0.44 -0.20 1.41 -1.33 -0.68 0.00 0.00 175.30 174.95 1opj n MET 477 N 1.18 2.41 -1.19 3.54 2.81 -1.26 -4.95 117.12 119.66 1opj n MET 477 Ca -0.21 0.85 -0.29 0.00 -1.81 0.00 0.00 57.70 56.23 1opj n MET 477 Cb 0.56 -2.52 0.15 0.00 -0.71 0.00 0.00 33.22 30.71 1opj n MET 477 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1opj s GLU 478 N -1.70 1.03 0.05 0.03 -1.05 -1.26 -4.91 118.70 110.89 1opj s GLU 478 Ca 0.56 0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 55.83 1opj s GLU 478 Cb -0.53 -1.79 -0.09 0.00 -0.44 0.00 0.00 34.13 31.28 1opj s GLU 478 CO 0.60 -2.38 1.86 0.50 0.95 0.00 0.00 175.26 176.79 1opj s ARG 479 N -4.94 4.15 0.66 -4.83 3.52 -1.26 -4.94 118.95 111.31 1opj s ARG 479 Ca 0.64 2.52 -0.14 0.00 -0.13 0.00 0.00 55.73 58.62 1opj s ARG 479 Cb -0.18 -3.93 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 1opj s ARG 479 CO 0.57 -0.89 1.09 -1.25 -0.81 0.00 0.00 175.30 174.02 1opj s PRO 480 N 3.76 2.87 -0.14 5.12 0.04 -1.26 -4.91 135.00 140.48 1opj s PRO 480 Ca 0.83 1.30 -0.40 0.00 0.04 0.00 0.00 61.00 62.77 1opj s PRO 480 Cb -0.42 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 31.98 1opj s PRO 480 CO 0.38 -1.18 1.45 -1.91 0.04 0.00 0.00 177.00 175.77 1opj n GLU 481 N -2.48 0.72 -0.45 4.56 2.13 -1.26 -1.34 120.64 122.52 1opj n GLU 481 Ca 0.10 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1opj n GLU 481 Cb 0.52 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1opj n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1opj n GLY 482 N 3.05 1.51 3.71 8.31 0.00 -1.26 -4.98 105.19 115.52 1opj n GLY 482 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1opj n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opj s PRO 484 N 1.51 3.51 0.24 0.00 0.02 -1.26 -4.84 135.00 134.18 1opj s PRO 484 Ca 0.63 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 63.97 1opj s PRO 484 Cb -0.34 -2.53 0.40 0.00 0.02 0.00 0.00 34.50 32.05 1opj s PRO 484 CO 0.29 -0.94 1.78 1.49 -0.33 0.00 0.00 177.00 179.29 1opj h GLU 485 N 2.05 0.64 -0.61 5.54 4.57 -1.93 -1.45 114.58 123.39 1opj h GLU 485 Ca -0.51 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1opj h GLU 485 Cb 1.28 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 1opj h GLU 485 CO 0.60 0.43 0.33 0.87 -1.18 0.00 0.00 179.01 180.06 1opj h LYS 486 N 0.66 0.83 -0.34 1.92 1.57 -1.97 0.85 116.57 120.10 1opj h LYS 486 Ca 0.39 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1opj h LYS 486 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1opj h LYS 486 CO -0.29 0.61 -0.21 0.28 -0.57 0.00 0.00 179.45 179.28 1opj h VAL 487 N 0.84 1.29 -0.62 0.50 2.07 -1.66 -2.54 116.25 116.13 1opj h VAL 487 Ca 0.22 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1opj h VAL 487 Cb 0.02 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1opj h VAL 487 CO -0.04 0.44 0.14 0.22 0.02 0.00 0.00 177.57 178.36 1opj h TYR 488 N 0.51 1.02 -0.83 1.57 3.20 -0.73 -1.22 116.97 120.50 1opj h TYR 488 Ca 0.07 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1opj h TYR 488 Cb 0.76 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1opj h TYR 488 CO 0.06 0.84 0.55 0.93 -1.64 0.00 0.00 178.16 178.91 1opj h GLU 489 N 0.93 1.07 -0.54 1.82 5.08 -0.73 0.14 114.58 122.36 1opj h GLU 489 Ca 0.20 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1opj h GLU 489 Cb 0.34 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1opj h GLU 489 CO 0.00 0.71 -0.08 1.25 -1.00 0.00 0.00 179.01 179.89 1opj h LEU 490 N 1.11 0.98 -0.41 1.33 5.85 -0.91 -0.69 115.31 122.57 1opj h LEU 490 Ca 0.31 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1opj h LEU 490 Cb -0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 1opj h LEU 490 CO -0.07 1.08 0.24 0.24 -0.34 0.00 0.00 178.44 179.59 1opj h MET 491 N 0.89 0.57 -0.39 1.25 2.86 -0.31 -1.15 114.93 118.64 1opj h MET 491 Ca 0.14 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1opj h MET 491 Cb 0.63 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1opj h MET 491 CO 0.04 0.43 0.11 0.00 1.06 0.00 0.00 176.91 178.55 1opj h ARG 492 N 0.54 0.57 -0.52 1.72 2.47 -0.65 -1.31 114.38 117.20 1opj h ARG 492 Ca 0.15 -0.09 -0.12 0.00 -1.26 0.00 0.00 59.98 58.66 1opj h ARG 492 Cb 0.01 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1opj h ARG 492 CO -0.03 0.51 -0.14 0.00 0.56 0.00 0.00 179.97 180.88 1opj h ALA 493 N 1.56 0.77 0.00 0.04 0.00 -0.66 -2.48 119.26 118.49 1opj h ALA 493 Ca 0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1opj h ALA 493 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1opj h ALA 493 CO -0.01 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 179.68 1opj n TRP 495 N -3.94 2.57 -1.98 0.00 8.01 -0.58 -3.57 117.44 117.94 1opj n TRP 495 Ca -0.02 -1.46 -0.40 0.00 -1.31 0.00 0.00 57.50 54.31 1opj n TRP 495 Cb 0.32 -0.78 -0.01 0.00 -2.01 0.00 0.00 31.31 28.83 1opj n TRP 495 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1opj s GLN 496 N -2.89 4.07 0.10 -0.99 -1.52 -1.10 -4.92 119.66 112.41 1opj s GLN 496 Ca 0.51 2.30 -0.22 0.00 -1.95 0.00 0.00 55.36 55.99 1opj s GLN 496 Cb 0.42 -2.88 -0.12 0.00 -0.22 0.00 0.00 33.01 30.21 1opj s GLN 496 CO 0.11 -0.46 1.73 2.35 -0.25 0.00 0.00 175.29 178.78 1opj h TRP 497 N 2.90 -0.02 -3.13 0.91 2.91 -1.93 -3.40 115.95 114.19 1opj h TRP 497 Ca -0.50 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 58.96 1opj h TRP 497 Cb 1.24 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.87 1opj h TRP 497 CO 0.53 -0.02 0.70 1.21 -1.03 0.00 0.00 178.44 179.84 1opj s ASN 498 N -5.19 7.13 0.29 2.65 3.84 -1.26 -4.84 114.94 117.55 1opj s ASN 498 Ca -0.13 1.57 0.02 0.00 0.21 0.00 0.00 52.86 54.54 1opj s ASN 498 Cb 0.07 -2.55 0.60 0.00 -0.55 0.00 0.00 41.25 38.82 1opj s ASN 498 CO 0.67 -0.58 1.82 -0.65 -2.79 0.00 0.00 177.10 175.57 1opj h PRO 499 N 7.41 0.92 0.00 0.43 0.11 -1.94 -0.57 132.00 138.36 1opj h PRO 499 Ca -0.28 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1opj h PRO 499 Cb 1.12 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1opj h PRO 499 CO 0.91 0.61 -0.03 1.03 -0.21 0.00 0.00 178.00 180.30 1opj h SER 500 N 0.95 0.00 1.02 -2.05 0.87 -1.94 -2.02 113.55 110.37 1opj h SER 500 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1opj h SER 500 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1opj h SER 500 CO -0.29 0.03 -0.30 0.47 -0.53 0.00 0.00 176.83 176.21 1opj n ASP 501 N -3.33 0.58 -4.79 6.23 8.00 -0.22 -4.88 116.55 118.13 1opj n ASP 501 Ca -0.02 0.27 -0.35 0.00 0.71 0.00 0.00 54.79 55.40 1opj n ASP 501 Cb 0.16 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1opj n ASP 501 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1opj s ARG 502 N -3.09 4.10 0.80 -1.24 0.52 -0.76 -4.92 118.95 114.36 1opj s ARG 502 Ca 0.10 1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 56.59 1opj s ARG 502 Cb 0.15 -2.37 0.07 0.00 0.52 0.00 0.00 34.95 33.32 1opj s ARG 502 CO 0.65 -0.17 1.09 -1.25 0.02 0.00 0.00 175.30 175.64 1opj s PRO 503 N -2.79 2.04 0.69 3.54 0.04 -1.26 -5.03 135.00 132.23 1opj s PRO 503 Ca 0.61 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 1opj s PRO 503 Cb -0.18 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1opj s PRO 503 CO 0.22 -1.78 1.03 -1.54 0.04 0.00 0.00 177.00 174.98 1opj s SER 504 N -3.40 5.16 0.40 6.66 1.04 -1.26 -4.90 113.70 117.40 1opj s SER 504 Ca 0.62 0.76 0.18 0.00 0.48 0.00 0.00 55.95 57.99 1opj s SER 504 Cb -0.17 -1.53 0.86 0.00 0.10 0.00 0.00 66.02 65.28 1opj s SER 504 CO 0.56 -1.43 1.84 -0.26 0.98 0.00 0.00 173.24 174.93 1opj h PHE 505 N -0.57 0.00 -0.35 5.02 -1.00 -1.92 -0.82 116.94 117.30 1opj h PHE 505 Ca -0.45 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.31 1opj h PHE 505 Cb 1.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.83 1opj h PHE 505 CO 0.41 0.32 0.14 0.00 -1.61 0.00 0.00 178.31 177.58 1opj h ALA 506 N 1.68 0.46 -0.32 2.45 0.00 -1.88 0.81 119.26 122.46 1opj h ALA 506 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1opj h ALA 506 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1opj h ALA 506 CO 0.04 0.07 -0.23 0.93 0.00 0.00 0.00 179.25 180.06 1opj h GLU 507 N 0.43 0.62 -0.20 0.00 5.08 -1.83 -2.08 114.58 116.60 1opj h GLU 507 Ca 0.12 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1opj h GLU 507 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1opj h GLU 507 CO -0.01 0.80 -0.01 0.82 -1.00 0.00 0.00 179.01 179.61 1opj h ILE 508 N 0.54 1.26 -0.90 3.13 2.04 -0.83 -0.53 117.51 122.23 1opj h ILE 508 Ca 0.08 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1opj h ILE 508 Cb 0.69 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1opj h ILE 508 CO 0.05 0.28 0.52 -0.74 0.00 0.00 0.00 178.15 178.26 1opj h HIS 509 N 0.10 1.21 -0.55 1.37 2.76 -0.72 -1.33 115.15 117.99 1opj h HIS 509 Ca 0.05 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1opj h HIS 509 Cb 0.42 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1opj h HIS 509 CO 0.04 0.82 -0.03 0.37 -1.30 0.00 0.00 177.93 177.83 1opj h GLN 510 N 1.24 0.96 -0.57 5.26 4.15 -1.26 -2.39 115.11 122.50 1opj h GLN 510 Ca 0.32 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1opj h GLN 510 Cb -0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1opj h GLN 510 CO -0.06 0.96 0.34 0.00 -1.93 0.00 0.00 178.83 178.15 1opj h ALA 511 N 1.08 0.74 -0.25 3.38 0.00 -0.35 -2.52 119.26 121.34 1opj h ALA 511 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1opj h ALA 511 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1opj h ALA 511 CO 0.03 0.06 0.11 0.74 0.00 0.00 0.00 179.25 180.19 1opj h PHE 512 N 0.67 0.37 -0.42 0.00 0.04 -1.00 0.42 116.94 117.02 1opj h PHE 512 Ca 0.24 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.04 1opj h PHE 512 Cb 0.05 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1opj h PHE 512 CO -0.06 0.36 0.28 0.93 -0.60 0.00 0.00 178.31 179.22 1opj h GLU 513 N 0.27 0.34 -0.14 1.51 5.08 -1.11 -2.94 114.58 117.59 1opj h GLU 513 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1opj h GLU 513 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1opj h GLU 513 CO -0.01 0.23 0.00 0.25 -1.00 0.00 0.00 179.01 178.48 1opj n THR 514 N -4.48 0.42 -0.26 1.13 -2.24 -0.98 -4.77 114.28 103.11 1opj n THR 514 Ca 0.05 -0.71 0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1opj n THR 514 Cb 0.23 0.91 0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1opj n THR 514 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1opj h MET 515 N 1.96 0.61 -2.24 -0.78 -1.53 -0.72 -3.24 114.93 108.99 1opj h MET 515 Ca 0.00 -0.04 -0.66 0.00 -3.44 0.00 0.00 59.70 55.56 1opj h MET 515 Cb 0.55 -0.14 -0.37 0.00 -0.55 0.00 0.00 31.60 31.09 1opj h MET 515 CO 0.00 0.40 -0.09 1.19 0.14 0.00 0.00 176.91 178.56 1opj n PHE 516 N -4.85 3.62 0.08 1.39 3.01 -1.26 -4.78 117.46 114.66 1opj n PHE 516 Ca 0.13 -3.48 -0.01 0.00 1.01 0.00 0.00 57.45 55.09 1opj n PHE 516 Cb 0.31 -0.71 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 1opj n PHE 516 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1opj h GLN 517 N 3.34 0.00 0.00 -1.08 4.20 -1.92 -3.35 115.11 116.30 1opj h GLN 517 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1opj h GLN 517 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1opj h GLN 517 CO 0.95 0.55 -1.55 0.39 -0.67 0.00 0.00 178.83 178.49 1opj n GLU 518 N -3.15 0.60 -3.54 1.46 4.71 -1.26 -4.96 120.64 114.50 1opj n GLU 518 Ca -0.03 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.16 56.88 1opj n GLU 518 Cb 0.83 -1.63 -0.06 0.00 -1.01 0.00 0.00 31.44 29.57 1opj n GLU 518 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1opj s SER 519 N -4.75 -0.62 0.54 1.62 1.04 -1.26 -5.17 113.70 105.11 1opj s SER 519 Ca -0.04 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 56.92 1opj s SER 519 Cb 0.12 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 1opj s SER 519 CO 0.86 -0.59 0.99 -0.94 0.98 0.00 0.00 173.24 174.54 1opj s SER 520 N -1.17 6.53 0.31 7.02 1.04 -1.26 -4.52 113.70 121.65 1opj s SER 520 Ca -0.11 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.84 1opj s SER 520 Cb -0.01 -2.49 0.50 0.00 0.10 0.00 0.00 66.02 64.12 1opj s SER 520 CO 0.09 -0.65 1.97 -0.29 0.98 0.00 0.00 173.24 175.35 1opj h ILE 521 N 0.63 1.18 -0.71 -1.02 2.10 -1.98 -0.48 117.51 117.23 1opj h ILE 521 Ca -0.46 -0.36 0.03 0.00 1.08 0.00 0.00 64.86 65.15 1opj h ILE 521 Cb 1.19 0.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.91 1opj h ILE 521 CO 0.62 0.19 0.45 0.28 -1.08 0.00 0.00 178.15 178.61 1opj h SER 522 N 1.05 0.74 -0.40 2.19 0.02 -1.95 0.16 113.55 115.36 1opj h SER 522 Ca 0.30 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1opj h SER 522 Cb -0.08 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1opj h SER 522 CO -0.07 0.51 0.01 0.44 -1.14 0.00 0.00 176.83 176.58 1opj h ASP 523 N 0.88 0.75 -0.30 3.07 3.32 -1.58 -2.45 116.42 120.10 1opj h ASP 523 Ca 0.29 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1opj h ASP 523 Cb 0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1opj h ASP 523 CO -0.11 0.81 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.46 1opj h GLU 524 N 0.74 0.86 0.00 3.56 4.39 -0.19 -1.37 114.58 122.57 1opj h GLU 524 Ca 0.15 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1opj h GLU 524 Cb 0.43 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1opj h GLU 524 CO 0.02 1.11 0.00 0.28 -1.16 0.00 0.00 179.01 179.26 1opj h VAL 525 N 0.69 0.00 0.02 3.13 2.07 -0.48 0.15 116.25 121.84 1opj h VAL 525 Ca 0.05 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 1opj h VAL 525 Cb 1.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1opj h VAL 525 CO 0.10 0.00 -0.92 -0.08 0.02 0.00 0.00 177.57 176.68 1opj h GLU 526 N 0.00 0.05 -0.56 1.57 4.81 -1.28 -3.11 114.58 116.06 1opj h GLU 526 Ca 0.00 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1opj h GLU 526 Cb 0.35 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1opj h GLU 526 CO 0.00 1.04 0.19 -0.22 -0.73 0.00 0.00 179.01 179.29 1opj h LYS 527 N -0.86 0.36 0.59 1.92 3.64 -0.93 -2.88 116.57 118.40 1opj h LYS 527 Ca -0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1opj h LYS 527 Cb 1.31 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1opj h LYS 527 CO -0.10 0.24 -0.28 0.93 -2.27 0.00 0.00 179.45 177.97 1opj h GLU 528 N 0.37 -0.76 0.00 1.90 4.39 -0.86 -3.51 114.58 116.11 1opj h GLU 528 Ca 0.28 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1opj h GLU 528 Cb 0.34 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1opj h GLU 528 CO -0.29 -0.48 0.00 1.28 -1.16 0.00 0.00 179.01 178.36