#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr2 h ARG 272 N 0.00 -0.07 0.00 2.12 2.43 -2.05 1.13 114.38 117.94 1cr2 h ARG 272 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cr2 h ARG 272 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1cr2 h ARG 272 CO 0.00 -0.05 -0.02 0.93 -1.51 0.00 0.00 179.97 179.32 1cr2 h GLU 273 N -0.08 0.00 -0.44 0.20 4.39 -2.05 0.11 114.58 116.71 1cr2 h GLU 273 Ca 0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1cr2 h GLU 273 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1cr2 h GLU 273 CO -0.16 0.02 -0.23 -0.09 -1.16 0.00 0.00 179.01 177.39 1cr2 h ARG 274 N 0.00 0.93 0.01 2.33 2.43 -1.44 -2.70 114.38 115.94 1cr2 h ARG 274 Ca -0.00 -0.42 -0.24 0.00 -0.81 0.00 0.00 59.98 58.51 1cr2 h ARG 274 Cb 0.05 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1cr2 h ARG 274 CO 0.00 1.08 -0.93 0.82 -1.51 0.00 0.00 179.97 179.43 1cr2 h ILE 275 N 0.77 1.32 0.33 1.20 1.08 0.24 -3.01 117.51 119.44 1cr2 h ILE 275 Ca 0.10 -2.21 -0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1cr2 h ILE 275 Cb 0.81 2.46 -0.03 0.00 -3.07 0.00 0.00 36.82 36.99 1cr2 h ILE 275 CO 0.07 0.67 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.66 1cr2 h ARG 276 N 0.25 -0.79 -0.57 2.37 2.43 -1.04 0.47 114.38 117.51 1cr2 h ARG 276 Ca -0.12 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1cr2 h ARG 276 Cb 1.60 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.30 1cr2 h ARG 276 CO 0.18 -0.53 0.39 1.49 -1.51 0.00 0.00 179.97 180.00 1cr2 h GLU 277 N -0.82 0.30 -0.35 0.20 4.57 -1.61 0.15 114.58 117.02 1cr2 h GLU 277 Ca -0.04 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1cr2 h GLU 277 Cb 0.74 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1cr2 h GLU 277 CO -0.12 0.20 0.02 1.25 -1.18 0.00 0.00 179.01 179.18 1cr2 h HIS 278 N 0.31 0.65 -0.37 0.92 2.76 -1.13 -3.00 115.15 115.30 1cr2 h HIS 278 Ca 0.27 -0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 1cr2 h HIS 278 Cb 0.64 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1cr2 h HIS 278 CO -0.00 0.69 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.02 1cr2 h LEU 279 N 0.42 0.73 -3.76 0.26 3.38 0.20 -3.11 115.31 113.44 1cr2 h LEU 279 Ca 0.10 -0.26 -0.52 0.00 0.09 0.00 0.00 57.88 57.29 1cr2 h LEU 279 Cb 0.41 -0.20 -0.23 0.00 0.09 0.00 0.00 40.66 40.73 1cr2 h LEU 279 CO 0.01 0.94 0.67 -1.54 0.09 0.00 0.00 178.44 178.61 1cr2 n SER 280 N -4.11 6.68 0.00 -0.43 3.41 0.30 -4.08 113.62 115.39 1cr2 n SER 280 Ca 0.00 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.15 1cr2 n SER 280 Cb 0.43 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1cr2 n SER 280 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1cr2 n SER 281 N -0.47 0.00 -4.61 4.04 7.64 -1.16 -4.96 113.62 114.09 1cr2 n SER 281 Ca 0.49 -0.93 -0.41 0.00 1.01 0.00 0.00 58.87 59.04 1cr2 n SER 281 Cb 0.75 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 1cr2 n SER 281 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1cr2 s GLU 282 N 0.00 4.02 -0.82 1.43 2.12 -1.18 -5.02 118.70 119.25 1cr2 s GLU 282 Ca 0.00 0.38 -0.22 0.00 0.36 0.00 0.00 54.97 55.49 1cr2 s GLU 282 Cb 0.00 -3.68 0.08 0.00 0.26 0.00 0.00 34.13 30.79 1cr2 s GLU 282 CO 0.00 -0.45 1.12 -2.00 -0.54 0.00 0.00 175.26 173.40 1cr2 s GLU 283 N 2.47 3.36 -0.04 4.30 2.56 -1.26 -4.84 118.70 125.25 1cr2 s GLU 283 Ca 0.24 -1.14 -0.18 0.00 0.00 0.00 0.00 54.97 53.89 1cr2 s GLU 283 Cb -0.15 -4.63 -0.31 0.00 2.00 0.00 0.00 34.13 31.03 1cr2 s GLU 283 CO 0.10 -1.89 0.82 0.66 -0.56 0.00 0.00 175.26 174.39 1cr2 h SER 284 N 9.40 0.55 -3.55 -1.70 4.64 -1.96 -3.44 113.55 117.50 1cr2 h SER 284 Ca -0.06 -0.92 -0.62 0.00 -0.47 0.00 0.00 61.79 59.72 1cr2 h SER 284 Cb 1.04 -0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 62.83 1cr2 h SER 284 CO 1.20 1.56 0.08 -0.69 -0.87 0.00 0.00 176.83 178.11 1cr2 s VAL 285 N -2.49 4.99 0.00 0.95 1.01 -1.26 -4.87 120.40 118.73 1cr2 s VAL 285 Ca -0.14 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1cr2 s VAL 285 Cb 0.03 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1cr2 s VAL 285 CO 0.85 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.51 1cr2 n GLY 286 N 4.40 1.39 3.68 4.51 0.00 -0.33 -4.96 105.19 113.89 1cr2 n GLY 286 Ca -0.02 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.64 1cr2 n GLY 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cr2 n LEU 287 N 0.00 3.82 -4.75 0.99 4.32 0.20 -4.39 117.00 117.19 1cr2 n LEU 287 Ca 0.00 0.99 -0.41 0.00 -0.02 0.00 0.00 56.01 56.58 1cr2 n LEU 287 Cb 0.00 -1.50 -0.04 0.00 -1.62 0.00 0.00 43.42 40.26 1cr2 n LEU 287 CO 0.00 0.08 0.81 -0.76 -1.22 0.00 0.00 177.39 176.30 1cr2 s LEU 288 N 2.82 4.51 0.82 2.23 1.43 -1.26 -0.41 118.68 128.82 1cr2 s LEU 288 Ca 0.84 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 56.05 1cr2 s LEU 288 Cb -0.54 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.14 1cr2 s LEU 288 CO 0.40 -0.21 1.17 -0.36 0.23 0.00 0.00 176.35 177.57 1cr2 s PHE 289 N -0.73 2.91 0.06 0.29 0.40 -1.26 -4.94 117.98 114.72 1cr2 s PHE 289 Ca 0.47 0.79 0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1cr2 s PHE 289 Cb -0.32 -3.45 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 1cr2 s PHE 289 CO 0.39 -1.82 -0.06 -1.12 0.70 0.00 0.00 175.22 173.31 1cr2 s SER 290 N -4.47 0.84 0.00 1.36 0.01 -1.26 -4.89 113.70 105.29 1cr2 s SER 290 Ca 0.62 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1cr2 s SER 290 Cb -0.12 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1cr2 s SER 290 CO 0.50 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1cr2 n GLY 291 N 0.60 3.17 2.83 3.44 0.00 -1.26 -4.92 105.19 109.05 1cr2 n GLY 291 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1cr2 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr2 n THR 293 N 3.94 0.07 0.00 0.00 -1.04 -1.26 -1.92 114.28 114.07 1cr2 n THR 293 Ca 0.04 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1cr2 n THR 293 Cb 0.37 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1cr2 n THR 293 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cr2 n GLY 294 N 6.14 2.61 0.15 3.41 0.00 -1.26 -4.50 105.19 111.74 1cr2 n GLY 294 Ca 0.40 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1cr2 n GLY 294 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cr2 h ILE 295 N 0.00 0.74 -0.23 -0.61 2.04 -1.57 -1.67 117.51 116.21 1cr2 h ILE 295 Ca 0.00 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1cr2 h ILE 295 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1cr2 h ILE 295 CO 0.00 0.02 -0.08 0.78 0.00 0.00 0.00 178.15 178.86 1cr2 h ASN 296 N 0.10 0.34 -0.54 1.72 -0.26 -1.92 -1.12 115.58 113.90 1cr2 h ASN 296 Ca 0.17 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1cr2 h ASN 296 Cb 0.23 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1cr2 h ASN 296 CO -0.28 0.47 0.23 0.44 -1.06 0.00 0.00 177.43 177.23 1cr2 h ASP 297 N 0.35 0.73 0.54 5.81 3.45 -1.70 0.53 116.42 126.12 1cr2 h ASP 297 Ca 0.07 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1cr2 h ASP 297 Cb 0.37 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1cr2 h ASP 297 CO 0.02 0.68 -0.40 0.29 -1.57 0.00 0.00 179.24 178.26 1cr2 n LYS 298 N -4.54 0.09 0.00 3.56 5.02 -0.85 -4.46 118.16 116.97 1cr2 n LYS 298 Ca 0.03 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1cr2 n LYS 298 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1cr2 n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cr2 n THR 299 N -1.41 0.00 -1.19 -0.18 -2.24 -0.45 -4.47 114.28 104.34 1cr2 n THR 299 Ca 0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1cr2 n THR 299 Cb 0.33 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1cr2 n THR 299 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cr2 n LEU 300 N -1.15 -0.41 0.00 3.22 4.77 0.18 -4.80 117.00 118.82 1cr2 n LEU 300 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1cr2 n LEU 300 Cb 0.16 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1cr2 n LEU 300 CO 0.00 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1cr2 n GLY 301 N -1.93 -2.64 3.56 -0.72 0.00 -1.26 -1.19 105.19 101.02 1cr2 n GLY 301 Ca -0.06 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1cr2 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr2 s ALA 302 N -1.10 3.52 0.37 4.61 0.00 0.45 -4.47 121.76 125.14 1cr2 s ALA 302 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1cr2 s ALA 302 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1cr2 s ALA 302 CO 0.00 -0.91 0.65 1.03 0.00 0.00 0.00 175.76 176.54 1cr2 s ARG 303 N 2.00 3.62 0.33 0.00 0.52 -1.26 0.61 118.95 124.77 1cr2 s ARG 303 Ca 0.12 0.09 -0.27 0.00 -0.52 0.00 0.00 55.73 55.15 1cr2 s ARG 303 Cb -0.16 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.68 1cr2 s ARG 303 CO 0.11 0.05 1.13 0.20 0.02 0.00 0.00 175.30 176.81 1cr2 s GLY 304 N -3.53 2.95 0.00 -3.53 0.00 -1.26 -3.21 107.32 98.75 1cr2 s GLY 304 Ca 0.46 0.92 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1cr2 s GLY 304 CO 0.35 1.47 0.00 0.61 0.00 0.00 0.00 173.10 175.53 1cr2 n GLY 305 N 0.87 0.43 3.93 0.20 0.00 -0.05 -4.84 105.19 105.73 1cr2 n GLY 305 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1cr2 n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cr2 s GLU 306 N -0.90 3.43 -0.19 1.61 2.02 -1.20 -3.07 118.70 120.41 1cr2 s GLU 306 Ca 0.00 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 1cr2 s GLU 306 Cb 0.00 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 1cr2 s GLU 306 CO 0.00 0.55 -0.01 0.08 0.02 0.00 0.00 175.26 175.90 1cr2 s VAL 307 N -1.67 3.90 -0.23 2.63 1.01 -1.26 -2.32 120.40 122.46 1cr2 s VAL 307 Ca 0.35 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1cr2 s VAL 307 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1cr2 s VAL 307 CO 0.28 0.44 0.12 -0.63 0.00 0.00 0.00 175.10 175.31 1cr2 s ILE 308 N 0.89 4.96 -0.20 2.22 -1.09 0.33 -1.79 121.20 126.53 1cr2 s ILE 308 Ca 0.01 0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 1cr2 s ILE 308 Cb -0.14 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1cr2 s ILE 308 CO 0.02 0.36 0.09 -0.32 -1.23 0.00 0.00 174.94 173.86 1cr2 s MET 309 N 1.07 4.02 -0.16 2.79 -2.45 0.32 0.17 119.30 125.05 1cr2 s MET 309 Ca 0.06 -0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1cr2 s MET 309 Cb -0.14 -3.30 0.02 0.00 1.25 0.00 0.00 34.83 32.66 1cr2 s MET 309 CO 0.04 0.23 -0.21 0.08 1.05 0.00 0.00 175.02 176.22 1cr2 s VAL 310 N 0.50 2.04 0.27 10.11 1.01 -0.49 0.74 120.40 134.57 1cr2 s VAL 310 Ca 0.05 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1cr2 s VAL 310 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1cr2 s VAL 310 CO 0.00 0.54 0.19 0.28 0.00 0.00 0.00 175.10 176.11 1cr2 s THR 311 N 1.08 0.08 0.00 3.92 -1.32 0.11 -1.81 115.64 117.71 1cr2 s THR 311 Ca -0.00 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 1cr2 s THR 311 Cb -0.14 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1cr2 s THR 311 CO -0.08 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.79 1cr2 n SER 312 N -0.88 0.00 -4.71 8.08 3.41 -1.26 -1.53 113.62 116.73 1cr2 n SER 312 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.34 1cr2 n SER 312 Cb 0.64 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.73 1cr2 n SER 312 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cr2 s GLY 313 N 0.00 1.68 0.53 5.00 0.00 -1.26 -3.08 107.32 110.19 1cr2 s GLY 313 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.94 1cr2 s GLY 313 CO 0.00 0.82 0.96 1.44 0.00 0.00 0.00 173.10 176.32 1cr2 n SER 314 N -3.95 0.87 0.00 1.64 7.64 -1.26 -1.64 113.62 116.91 1cr2 n SER 314 Ca 0.10 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1cr2 n SER 314 Cb 0.53 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1cr2 n SER 314 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cr2 n GLY 315 N 1.27 0.12 0.07 0.23 0.00 -1.26 -4.82 105.19 100.80 1cr2 n GLY 315 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1cr2 n GLY 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cr2 n MET 316 N -1.47 0.14 0.00 1.61 2.00 -0.65 -4.92 117.12 113.83 1cr2 n MET 316 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.96 1cr2 n MET 316 Cb 0.09 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1cr2 n MET 316 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cr2 n GLY 317 N 0.59 1.47 0.47 3.03 0.00 -1.26 -4.93 105.19 104.55 1cr2 n GLY 317 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1cr2 n GLY 317 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cr2 h LYS 318 N 0.72 -0.83 -0.37 1.61 1.57 -1.91 -2.38 116.57 114.98 1cr2 h LYS 318 Ca 0.00 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1cr2 h LYS 318 Cb 0.00 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1cr2 h LYS 318 CO 0.00 -0.55 -0.17 0.77 -0.57 0.00 0.00 179.45 178.93 1cr2 h SER 319 N -0.86 -0.58 0.17 0.86 0.02 -1.97 -0.10 113.55 111.09 1cr2 h SER 319 Ca -0.04 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1cr2 h SER 319 Cb 0.78 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1cr2 h SER 319 CO -0.14 -0.21 -0.37 0.74 -1.14 0.00 0.00 176.83 175.71 1cr2 h THR 320 N -0.11 0.23 -0.49 -2.27 2.02 -1.96 0.47 112.91 110.80 1cr2 h THR 320 Ca 0.18 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.46 1cr2 h THR 320 Cb 0.39 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 1cr2 h THR 320 CO -0.44 0.00 -0.03 0.15 0.37 0.00 0.00 175.52 175.57 1cr2 h PHE 321 N -0.64 -0.09 -0.41 3.16 3.04 -0.94 0.23 116.94 121.30 1cr2 h PHE 321 Ca 0.02 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.86 1cr2 h PHE 321 Cb 0.64 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1cr2 h PHE 321 CO -0.30 -0.14 -0.30 0.28 -2.02 0.00 0.00 178.31 175.83 1cr2 h VAL 322 N 0.08 1.27 -0.84 1.41 2.07 -0.68 -2.40 116.25 117.16 1cr2 h VAL 322 Ca 0.25 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1cr2 h VAL 322 Cb 0.38 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1cr2 h VAL 322 CO -0.44 0.49 0.43 0.03 0.02 0.00 0.00 177.57 178.11 1cr2 h ARG 323 N 0.75 1.19 -0.52 1.57 3.08 0.88 0.12 114.38 121.46 1cr2 h ARG 323 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1cr2 h ARG 323 Cb 0.86 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1cr2 h ARG 323 CO 0.08 0.89 0.25 1.96 -1.07 0.00 0.00 179.97 182.08 1cr2 h GLN 324 N 1.19 0.75 -0.55 0.04 4.20 -0.43 0.79 115.11 121.09 1cr2 h GLN 324 Ca 0.29 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 1cr2 h GLN 324 Cb 0.07 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1cr2 h GLN 324 CO -0.04 0.62 -0.07 1.96 -0.67 0.00 0.00 178.83 180.63 1cr2 h GLN 325 N 0.69 1.03 -0.51 1.46 1.08 -0.96 -2.35 115.11 115.55 1cr2 h GLN 325 Ca 0.18 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1cr2 h GLN 325 Cb 0.12 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1cr2 h GLN 325 CO -0.02 1.05 0.33 0.00 -0.95 0.00 0.00 178.83 179.24 1cr2 h ALA 326 N 0.94 0.64 -0.40 3.87 0.00 -0.41 0.01 119.26 123.92 1cr2 h ALA 326 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cr2 h ALA 326 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1cr2 h ALA 326 CO 0.04 0.09 0.26 1.25 0.00 0.00 0.00 179.25 180.89 1cr2 h LEU 327 N 0.69 0.47 0.04 0.00 5.85 -0.67 -1.88 115.31 119.81 1cr2 h LEU 327 Ca 0.19 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1cr2 h LEU 327 Cb -0.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1cr2 h LEU 327 CO -0.04 0.35 -0.02 1.56 -0.34 0.00 0.00 178.44 179.95 1cr2 h GLN 328 N 0.54 -0.06 -0.56 1.25 1.08 -1.19 0.91 115.11 117.08 1cr2 h GLN 328 Ca 0.15 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.46 1cr2 h GLN 328 Cb -0.04 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.31 1cr2 h GLN 328 CO -0.03 0.37 0.04 -1.49 -0.95 0.00 0.00 178.83 176.77 1cr2 h TRP 329 N -0.49 0.04 -0.03 2.96 6.55 -0.99 0.45 115.95 124.44 1cr2 h TRP 329 Ca -0.01 0.04 -0.22 0.00 0.95 0.00 0.00 58.89 59.65 1cr2 h TRP 329 Cb 0.45 0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.82 1cr2 h TRP 329 CO 0.07 -0.10 -0.90 0.78 -1.05 0.00 0.00 178.44 177.24 1cr2 h GLY 330 N 0.16 0.52 0.00 1.49 0.00 -1.35 -1.89 103.07 102.00 1cr2 h GLY 330 Ca 0.29 -0.86 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 1cr2 h GLY 330 CO -0.44 0.77 -0.94 -0.91 0.00 0.00 0.00 176.54 175.02 1cr2 h THR 331 N 0.28 0.80 0.12 4.70 1.35 -0.37 -3.35 112.91 116.43 1cr2 h THR 331 Ca -0.07 -1.93 -0.22 0.00 -0.55 0.00 0.00 66.41 63.64 1cr2 h THR 331 Cb 1.52 1.83 0.01 0.00 -1.73 0.00 0.00 68.15 69.78 1cr2 h THR 331 CO 0.16 0.27 -1.08 0.00 -0.25 0.00 0.00 175.52 174.62 1cr2 h ALA 332 N -0.56 0.05 0.00 6.62 0.00 -0.32 -3.36 119.26 121.69 1cr2 h ALA 332 Ca -0.23 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1cr2 h ALA 332 Cb 1.07 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1cr2 h ALA 332 CO -0.14 0.58 0.00 -1.33 0.00 0.00 0.00 179.25 178.36 1cr2 n MET 333 N -4.06 0.32 -1.92 0.00 2.00 -0.72 -4.92 117.12 107.83 1cr2 n MET 333 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.36 1cr2 n MET 333 Cb 0.84 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.53 1cr2 n MET 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cr2 n GLY 334 N 1.30 0.51 3.92 3.03 0.00 -1.02 -4.96 105.19 107.97 1cr2 n GLY 334 Ca 0.12 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1cr2 n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr2 s LYS 335 N -4.10 3.55 -0.25 1.61 -0.14 -0.74 -5.00 119.74 114.67 1cr2 s LYS 335 Ca 0.00 -0.23 -0.16 0.00 -1.36 0.00 0.00 55.97 54.22 1cr2 s LYS 335 Cb 0.00 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 1cr2 s LYS 335 CO 0.00 0.31 0.40 0.15 -0.76 0.00 0.00 175.35 175.45 1cr2 s LYS 336 N -3.51 4.08 -0.13 1.68 1.02 -1.26 -3.97 119.74 117.64 1cr2 s LYS 336 Ca 0.40 0.14 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 1cr2 s LYS 336 Cb -0.11 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1cr2 s LYS 336 CO 0.30 -0.21 -0.05 0.08 -0.92 0.00 0.00 175.35 174.55 1cr2 s VAL 337 N 1.86 3.79 -0.10 3.17 1.01 0.13 -0.14 120.40 130.12 1cr2 s VAL 337 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1cr2 s VAL 337 Cb -0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1cr2 s VAL 337 CO 0.09 0.52 0.00 -0.83 0.00 0.00 0.00 175.10 174.88 1cr2 s GLY 338 N 0.11 1.84 -0.18 4.51 0.00 0.48 -0.75 107.32 113.33 1cr2 s GLY 338 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1cr2 s GLY 338 CO 0.03 -0.48 -0.12 1.08 0.00 0.00 0.00 173.10 173.60 1cr2 s LEU 339 N -0.68 2.09 -0.34 0.66 1.02 0.66 -0.87 118.68 121.22 1cr2 s LEU 339 Ca 0.11 -0.75 -0.08 0.00 0.02 0.00 0.00 54.13 53.43 1cr2 s LEU 339 Cb -0.12 -1.24 0.03 0.00 0.02 0.00 0.00 46.19 44.88 1cr2 s LEU 339 CO 0.02 -0.10 0.14 0.00 0.02 0.00 0.00 176.35 176.42 1cr2 s ALA 340 N 1.41 3.14 -0.22 4.21 0.00 0.11 -0.59 121.76 129.81 1cr2 s ALA 340 Ca 0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.17 1cr2 s ALA 340 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1cr2 s ALA 340 CO -0.09 -1.28 0.22 -1.64 0.00 0.00 0.00 175.76 172.97 1cr2 s MET 341 N 1.48 4.11 -0.06 0.00 1.00 0.30 -1.19 119.30 124.94 1cr2 s MET 341 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 55.69 55.68 1cr2 s MET 341 Cb -0.19 -3.52 -0.23 0.00 0.00 0.00 0.00 34.83 30.88 1cr2 s MET 341 CO 0.04 0.07 0.58 1.28 0.00 0.00 0.00 175.02 176.99 1cr2 n LEU 342 N 4.23 0.91 0.00 -0.03 7.99 0.19 -3.93 117.00 126.37 1cr2 n LEU 342 Ca -0.13 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1cr2 n LEU 342 Cb 0.52 0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 1cr2 n LEU 342 CO 0.37 0.43 0.00 -0.62 -1.51 0.00 0.00 177.39 176.06 1cr2 n GLU 343 N -3.05 0.00 -1.68 3.23 -0.58 -1.25 -4.62 120.64 112.70 1cr2 n GLU 343 Ca -0.20 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.28 1cr2 n GLU 343 Cb 1.06 -0.38 0.10 0.00 -0.57 0.00 0.00 31.44 31.66 1cr2 n GLU 343 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1cr2 s GLU 344 N -0.66 1.75 0.58 3.49 -1.05 -1.26 -5.00 118.70 116.55 1cr2 s GLU 344 Ca 0.00 0.33 -0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1cr2 s GLU 344 Cb 0.00 -1.91 0.04 0.00 -0.44 0.00 0.00 34.13 31.82 1cr2 s GLU 344 CO 0.00 -1.79 0.83 -1.54 0.95 0.00 0.00 175.26 173.71 1cr2 s SER 345 N -4.20 5.16 0.12 0.83 1.04 -1.26 -4.76 113.70 110.64 1cr2 s SER 345 Ca 0.62 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 1cr2 s SER 345 Cb -0.13 -0.90 -0.05 0.00 0.10 0.00 0.00 66.02 65.04 1cr2 s SER 345 CO 0.52 -1.25 1.70 0.58 0.98 0.00 0.00 173.24 175.77 1cr2 h VAL 346 N -0.08 1.14 -0.63 5.02 2.07 -1.94 -1.75 116.25 120.09 1cr2 h VAL 346 Ca -0.42 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 66.81 1cr2 h VAL 346 Cb 1.30 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 1cr2 h VAL 346 CO 0.54 0.14 0.22 -0.33 0.02 0.00 0.00 177.57 178.15 1cr2 h GLU 347 N 0.32 0.37 0.19 1.57 3.07 -1.98 0.66 114.58 118.78 1cr2 h GLU 347 Ca 0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1cr2 h GLU 347 Cb 0.10 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1cr2 h GLU 347 CO -0.01 0.25 -0.09 0.93 -1.40 0.00 0.00 179.01 178.68 1cr2 h GLU 348 N 0.38 -0.25 -0.51 2.33 5.08 -1.90 0.13 114.58 119.84 1cr2 h GLU 348 Ca 0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1cr2 h GLU 348 Cb 0.44 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1cr2 h GLU 348 CO -0.34 -0.08 0.29 1.15 -1.00 0.00 0.00 179.01 179.02 1cr2 h THR 349 N -0.36 1.02 -0.69 1.13 2.02 -0.63 -1.46 112.91 113.93 1cr2 h THR 349 Ca -0.03 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1cr2 h THR 349 Cb 0.28 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1cr2 h THR 349 CO 0.04 0.10 0.42 0.00 0.37 0.00 0.00 175.52 176.45 1cr2 h ALA 350 N 1.25 0.87 -0.37 6.16 0.00 0.48 -0.04 119.26 127.60 1cr2 h ALA 350 Ca 0.21 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1cr2 h ALA 350 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1cr2 h ALA 350 CO -0.12 0.34 0.10 1.49 0.00 0.00 0.00 179.25 181.06 1cr2 h GLU 351 N 0.93 0.23 -0.37 0.00 4.81 -0.02 0.91 114.58 121.07 1cr2 h GLU 351 Ca 0.25 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1cr2 h GLU 351 Cb -0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1cr2 h GLU 351 CO -0.05 0.15 0.18 0.22 -0.73 0.00 0.00 179.01 178.79 1cr2 h ASP 352 N 0.24 0.48 0.01 1.04 -0.00 -0.75 -0.63 116.42 116.80 1cr2 h ASP 352 Ca 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1cr2 h ASP 352 Cb 0.18 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 39.38 1cr2 h ASP 352 CO -0.21 0.46 -0.01 -0.07 -0.00 0.00 0.00 179.24 179.41 1cr2 h LEU 353 N 0.46 -0.04 -0.31 2.28 3.38 -0.54 0.13 115.31 120.67 1cr2 h LEU 353 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1cr2 h LEU 353 Cb 0.11 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1cr2 h LEU 353 CO -0.02 -0.02 0.14 0.40 0.09 0.00 0.00 178.44 179.03 1cr2 h ILE 354 N -0.03 0.96 -0.01 1.22 2.04 -0.73 0.18 117.51 121.15 1cr2 h ILE 354 Ca 0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1cr2 h ILE 354 Cb 0.03 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1cr2 h ILE 354 CO -0.01 0.05 0.00 1.23 0.00 0.00 0.00 178.15 179.42 1cr2 h GLY 355 N 0.30 0.01 0.21 5.37 0.00 -0.96 -2.23 103.07 105.77 1cr2 h GLY 355 Ca 0.13 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1cr2 h GLY 355 CO -0.11 0.00 -0.35 1.41 0.00 0.00 0.00 176.54 177.50 1cr2 h LEU 356 N -0.08 -1.05 -1.40 3.11 3.38 -0.34 0.34 115.31 119.27 1cr2 h LEU 356 Ca 0.00 0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.32 1cr2 h LEU 356 Cb 0.09 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1cr2 h LEU 356 CO -0.00 -0.40 0.61 -0.74 0.09 0.00 0.00 178.44 178.01 1cr2 h HIS 357 N -0.47 0.65 -0.61 1.13 2.76 -0.51 0.30 115.15 118.40 1cr2 h HIS 357 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1cr2 h HIS 357 Cb 0.58 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1cr2 h HIS 357 CO -0.39 0.16 0.00 0.09 -1.30 0.00 0.00 177.93 176.49 1cr2 n ASN 358 N -4.56 5.42 -4.11 3.26 4.13 -0.40 -4.95 115.26 114.05 1cr2 n ASN 358 Ca 0.21 -2.76 -0.31 0.00 1.68 0.00 0.00 54.58 53.40 1cr2 n ASN 358 Cb 0.69 -0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1cr2 n ASN 358 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1cr2 n ARG 359 N 0.82 -3.09 -3.85 3.52 1.74 0.09 -4.96 116.66 110.94 1cr2 n ARG 359 Ca 0.27 0.37 -0.12 0.00 -0.77 0.00 0.00 57.85 57.60 1cr2 n ARG 359 Cb 1.09 -4.74 -0.10 0.00 -1.02 0.00 0.00 32.46 27.69 1cr2 n ARG 359 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cr2 s VAL 360 N -3.66 0.06 -0.83 1.55 1.01 -0.06 -4.47 120.40 114.00 1cr2 s VAL 360 Ca 0.37 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1cr2 s VAL 360 Cb -0.20 -0.42 0.21 0.00 0.00 0.00 0.00 36.38 35.98 1cr2 s VAL 360 CO 0.92 -0.29 0.78 -0.13 0.00 0.00 0.00 175.10 176.38 1cr2 s ARG 361 N -1.07 3.60 0.24 2.72 0.52 -1.26 -3.70 118.95 120.01 1cr2 s ARG 361 Ca -0.12 -2.42 -0.05 0.00 -0.52 0.00 0.00 55.73 52.62 1cr2 s ARG 361 Cb -0.06 -4.45 0.39 0.00 0.52 0.00 0.00 34.95 31.35 1cr2 s ARG 361 CO 0.02 -1.31 1.80 -0.07 0.02 0.00 0.00 175.30 175.75 1cr2 h LEU 362 N 7.91 0.62 -1.65 2.53 4.07 -1.91 -2.65 115.31 124.24 1cr2 h LEU 362 Ca 0.11 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1cr2 h LEU 362 Cb 1.04 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1cr2 h LEU 362 CO 0.77 0.35 0.15 0.03 -1.08 0.00 0.00 178.44 178.66 1cr2 h ARG 363 N 0.74 0.38 -0.38 1.13 3.08 -1.91 -2.82 114.38 114.61 1cr2 h ARG 363 Ca 0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1cr2 h ARG 363 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1cr2 h ARG 363 CO -0.26 0.29 0.00 1.04 -1.07 0.00 0.00 179.97 179.97 1cr2 n GLN 364 N -4.46 1.61 -3.26 0.04 1.13 -1.00 -4.71 117.38 106.74 1cr2 n GLN 364 Ca 0.01 -0.74 -0.05 0.00 -1.94 0.00 0.00 57.00 54.28 1cr2 n GLN 364 Cb 0.10 -1.30 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 1cr2 n GLN 364 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1cr2 s SER 365 N -0.79 -0.25 0.43 1.08 0.15 -1.06 -4.98 113.70 108.29 1cr2 s SER 365 Ca 0.14 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 56.54 1cr2 s SER 365 Cb 0.08 1.38 0.96 0.00 -1.71 0.00 0.00 66.02 66.73 1cr2 s SER 365 CO 0.08 -0.32 2.07 0.44 1.20 0.00 0.00 173.24 176.71 1cr2 h ASP 366 N 7.96 0.37 0.60 5.45 3.32 -1.84 -2.44 116.42 129.85 1cr2 h ASP 366 Ca -0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1cr2 h ASP 366 Cb 1.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1cr2 h ASP 366 CO 0.22 0.26 -0.34 -1.28 -1.72 0.00 0.00 179.24 176.39 1cr2 h SER 367 N 0.44 -0.83 -1.00 6.45 0.87 -1.94 -1.78 113.55 115.76 1cr2 h SER 367 Ca 0.13 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1cr2 h SER 367 Cb 0.01 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 1cr2 h SER 367 CO -0.03 -0.53 0.64 0.25 -0.53 0.00 0.00 176.83 176.63 1cr2 h LEU 368 N -0.87 0.99 -0.51 2.23 5.85 -1.90 -0.02 115.31 121.09 1cr2 h LEU 368 Ca -0.08 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1cr2 h LEU 368 Cb 0.68 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1cr2 h LEU 368 CO 0.10 0.60 0.22 0.11 -0.34 0.00 0.00 178.44 179.13 1cr2 h LYS 369 N 1.11 0.41 -0.07 1.25 1.57 -1.32 0.13 116.57 119.65 1cr2 h LYS 369 Ca 0.45 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 59.03 1cr2 h LYS 369 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1cr2 h LYS 369 CO -0.20 0.27 -0.73 0.07 -0.57 0.00 0.00 179.45 178.29 1cr2 h ARG 370 N 0.43 0.37 -0.46 3.15 0.11 -0.46 -3.21 114.38 114.32 1cr2 h ARG 370 Ca 0.24 -0.31 -0.06 0.00 0.10 0.00 0.00 59.98 59.95 1cr2 h ARG 370 Cb 0.20 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 1cr2 h ARG 370 CO -0.20 0.95 0.07 1.49 0.10 0.00 0.00 179.97 182.38 1cr2 h GLU 371 N 0.25 0.76 0.00 0.08 4.81 -0.62 -3.06 114.58 116.80 1cr2 h GLU 371 Ca -0.03 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1cr2 h GLU 371 Cb 1.31 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1cr2 h GLU 371 CO 0.12 0.78 -0.06 0.82 -0.73 0.00 0.00 179.01 179.94 1cr2 h ILE 372 N 0.62 0.78 0.19 2.32 5.03 -0.75 -0.98 117.51 124.72 1cr2 h ILE 372 Ca 0.14 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.65 1cr2 h ILE 372 Cb 0.39 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1cr2 h ILE 372 CO 0.01 0.06 -0.09 0.40 -0.68 0.00 0.00 178.15 177.85 1cr2 h ILE 373 N 0.00 0.51 -0.34 -0.67 2.04 -1.55 0.53 117.51 118.02 1cr2 h ILE 373 Ca -0.00 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1cr2 h ILE 373 Cb 0.13 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1cr2 h ILE 373 CO 0.01 0.14 0.10 1.05 0.00 0.00 0.00 178.15 179.45 1cr2 h GLU 374 N -0.98 0.54 0.00 2.37 4.11 -1.55 -2.63 114.58 116.44 1cr2 h GLU 374 Ca -0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1cr2 h GLU 374 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1cr2 h GLU 374 CO 0.04 0.58 0.16 -0.97 0.07 0.00 0.00 179.01 178.89 1cr2 h ASN 375 N 0.40 0.00 0.00 3.06 -0.00 -1.32 -3.45 115.58 114.27 1cr2 h ASN 375 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1cr2 h ASN 375 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 1cr2 h ASN 375 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 1cr2 n GLY 376 N -1.20 0.96 0.28 1.57 0.00 -0.99 -4.89 105.19 100.92 1cr2 n GLY 376 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1cr2 n GLY 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cr2 h LYS 377 N 2.88 0.88 0.01 1.61 1.79 -1.76 -2.70 116.57 119.28 1cr2 h LYS 377 Ca 0.00 -0.31 0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1cr2 h LYS 377 Cb 0.00 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.53 1cr2 h LYS 377 CO 0.00 0.95 -0.42 0.35 -1.08 0.00 0.00 179.45 179.25 1cr2 h PHE 378 N 0.79 -1.18 -0.48 -1.35 3.57 -1.20 1.16 116.94 118.25 1cr2 h PHE 378 Ca 0.13 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1cr2 h PHE 378 Cb 0.63 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 1cr2 h PHE 378 CO 0.04 -0.50 0.14 -0.44 -2.23 0.00 0.00 178.31 175.32 1cr2 h ASP 379 N -0.58 0.10 -0.77 0.41 3.32 -1.80 0.64 116.42 117.74 1cr2 h ASP 379 Ca 0.04 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1cr2 h ASP 379 Cb 0.65 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1cr2 h ASP 379 CO -0.31 0.09 0.42 1.56 -1.72 0.00 0.00 179.24 179.28 1cr2 h GLN 380 N 0.30 1.07 -0.40 3.56 1.08 -0.97 -1.54 115.11 118.21 1cr2 h GLN 380 Ca 0.24 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 1cr2 h GLN 380 Cb 0.28 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1cr2 h GLN 380 CO -0.27 0.80 -0.16 -1.49 -0.95 0.00 0.00 178.83 176.75 1cr2 h TRP 381 N 1.06 0.93 -0.21 2.96 4.06 0.25 -1.25 115.95 123.75 1cr2 h TRP 381 Ca 0.27 -0.22 0.01 0.00 2.06 0.00 0.00 58.89 61.01 1cr2 h TRP 381 Cb 0.04 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1cr2 h TRP 381 CO 0.00 0.97 0.11 0.35 -3.56 0.00 0.00 178.44 176.31 1cr2 h PHE 382 N 0.62 0.20 -0.47 0.49 3.57 0.50 -2.19 116.94 119.66 1cr2 h PHE 382 Ca 0.09 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1cr2 h PHE 382 Cb 0.71 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1cr2 h PHE 382 CO 0.06 0.12 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.64 1cr2 h ASP 383 N 0.23 0.92 0.34 0.41 5.19 -1.26 0.41 116.42 122.66 1cr2 h ASP 383 Ca 0.08 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1cr2 h ASP 383 Cb 0.01 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.27 1cr2 h ASP 383 CO -0.05 1.08 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.75 1cr2 h GLU 384 N 0.80 0.00 0.00 3.56 5.08 -0.95 0.35 114.58 123.42 1cr2 h GLU 384 Ca 0.12 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.09 1cr2 h GLU 384 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1cr2 h GLU 384 CO 0.06 0.07 -2.29 -0.11 -1.00 0.00 0.00 179.01 175.73 1cr2 n LEU 385 N -3.48 1.63 -0.38 1.33 7.94 -0.85 -4.69 117.00 118.50 1cr2 n LEU 385 Ca -0.02 0.28 0.11 0.00 -1.11 0.00 0.00 56.01 55.28 1cr2 n LEU 385 Cb 0.20 -0.68 0.07 0.00 0.53 0.00 0.00 43.42 43.53 1cr2 n LEU 385 CO 0.27 0.48 0.34 0.49 -1.11 0.00 0.00 177.39 177.86 1cr2 n PHE 386 N -4.04 0.00 -0.19 1.96 3.72 0.14 -4.61 117.46 114.44 1cr2 n PHE 386 Ca -0.46 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.81 1cr2 n PHE 386 Cb 0.82 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 39.23 1cr2 n PHE 386 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1cr2 h GLY 387 N 4.89 -0.97 -0.91 1.37 0.00 -0.29 -3.41 103.07 103.74 1cr2 h GLY 387 Ca 0.00 0.73 -0.41 0.00 0.00 0.00 0.00 47.33 47.66 1cr2 h GLY 387 CO 0.00 -0.09 0.13 0.54 0.00 0.00 0.00 176.54 177.13 1cr2 s ASN 388 N -5.14 0.62 -0.96 0.19 2.20 -1.26 -4.94 114.94 105.65 1cr2 s ASN 388 Ca -0.14 0.47 -0.01 0.00 -0.94 0.00 0.00 52.86 52.25 1cr2 s ASN 388 Cb 0.09 -0.60 0.33 0.00 -2.00 0.00 0.00 41.25 39.07 1cr2 s ASN 388 CO 0.62 -4.29 1.86 -0.67 -2.94 0.00 0.00 177.10 171.67 1cr2 n ASP 389 N -4.85 7.31 -0.07 3.54 -0.08 -1.26 -4.68 116.55 116.47 1cr2 n ASP 389 Ca 0.15 -3.73 -0.22 0.00 -1.51 0.00 0.00 54.79 49.48 1cr2 n ASP 389 Cb 0.60 -1.12 -0.12 0.00 2.34 0.00 0.00 41.12 42.82 1cr2 n ASP 389 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1cr2 n THR 390 N -0.21 1.63 -4.32 5.18 5.66 -1.26 -4.90 114.28 116.06 1cr2 n THR 390 Ca 0.48 -0.41 -0.35 0.00 -3.05 0.00 0.00 64.05 60.72 1cr2 n THR 390 Cb 0.26 -1.80 -0.09 0.00 -1.55 0.00 0.00 70.33 67.15 1cr2 n THR 390 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1cr2 s PHE 391 N -2.49 3.20 -0.30 1.09 0.40 -1.26 0.18 117.98 118.80 1cr2 s PHE 391 Ca -0.28 0.22 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1cr2 s PHE 391 Cb 0.08 -1.80 0.10 0.00 0.51 0.00 0.00 43.02 41.91 1cr2 s PHE 391 CO 0.65 0.50 0.08 -1.01 0.70 0.00 0.00 175.22 176.14 1cr2 s HIS 392 N -0.91 1.95 -0.16 0.36 3.76 0.07 -4.96 115.29 115.40 1cr2 s HIS 392 Ca 0.14 -1.84 -0.15 0.00 -0.15 0.00 0.00 55.06 53.06 1cr2 s HIS 392 Cb -0.11 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 1cr2 s HIS 392 CO 0.03 -0.87 0.34 -0.51 -0.85 0.00 0.00 174.74 172.88 1cr2 s LEU 393 N 1.53 4.23 -0.03 0.89 1.43 -1.26 -0.24 118.68 125.23 1cr2 s LEU 393 Ca 0.09 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1cr2 s LEU 393 Cb -0.17 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1cr2 s LEU 393 CO -0.21 0.05 -0.06 -0.31 0.23 0.00 0.00 176.35 176.05 1cr2 s TYR 394 N 0.64 0.75 0.00 0.29 2.02 0.24 -4.96 117.35 116.33 1cr2 s TYR 394 Ca 0.18 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1cr2 s TYR 394 Cb -0.14 -0.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1cr2 s TYR 394 CO 0.05 -0.14 0.00 -0.40 -1.57 0.00 0.00 175.55 173.50 1cr2 n ASP 395 N 3.66 1.25 -2.99 2.29 3.85 -1.26 -0.54 116.55 122.82 1cr2 n ASP 395 Ca -0.22 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.73 1cr2 n ASP 395 Cb 0.53 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.36 1cr2 n ASP 395 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1cr2 n SER 396 N 0.00 -4.54 -3.77 -1.12 2.88 -1.25 -4.89 113.62 100.92 1cr2 n SER 396 Ca 0.00 -0.57 -0.30 0.00 -1.33 0.00 0.00 58.87 56.68 1cr2 n SER 396 Cb 0.00 -4.42 -0.14 0.00 -0.75 0.00 0.00 64.21 58.90 1cr2 n SER 396 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1cr2 s PHE 397 N -3.32 2.23 0.08 0.66 0.08 -1.26 -5.10 117.98 111.34 1cr2 s PHE 397 Ca 0.25 -2.39 0.00 0.00 0.12 0.00 0.00 56.93 54.91 1cr2 s PHE 397 Cb -0.03 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1cr2 s PHE 397 CO 0.62 -0.82 0.00 -1.91 -0.10 0.00 0.00 175.22 173.01 1cr2 n GLU 399 N 3.90 -0.51 -0.98 0.44 2.13 -1.26 -4.87 120.64 119.48 1cr2 n GLU 399 Ca 0.05 0.40 -0.21 0.00 0.66 0.00 0.00 57.16 58.07 1cr2 n GLU 399 Cb 0.37 -0.95 0.05 0.00 0.27 0.00 0.00 31.44 31.18 1cr2 n GLU 399 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cr2 n ALA 400 N -2.25 5.36 -3.29 4.31 0.00 -1.26 -4.90 120.51 118.47 1cr2 n ALA 400 Ca -0.00 -2.07 -0.37 0.00 0.00 0.00 0.00 53.44 51.00 1cr2 n ALA 400 Cb 0.07 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1cr2 n ALA 400 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cr2 s GLU 401 N -2.28 3.08 0.09 0.00 2.12 -1.26 -4.98 118.70 115.47 1cr2 s GLU 401 Ca 0.39 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 1cr2 s GLU 401 Cb 0.31 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 1cr2 s GLU 401 CO -0.00 -0.41 1.59 1.15 -0.54 0.00 0.00 175.26 177.05 1cr2 h THR 402 N 5.90 1.21 -0.55 -1.70 2.02 -1.99 -2.50 112.91 115.30 1cr2 h THR 402 Ca -0.32 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1cr2 h THR 402 Cb 1.13 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1cr2 h THR 402 CO 0.60 0.22 0.18 0.44 0.37 0.00 0.00 175.52 177.33 1cr2 h ASP 403 N 0.23 0.75 -0.12 4.18 3.45 -1.98 0.70 116.42 123.62 1cr2 h ASP 403 Ca 0.08 -0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 1cr2 h ASP 403 Cb 0.27 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1cr2 h ASP 403 CO 0.00 0.70 -0.20 -0.09 -1.57 0.00 0.00 179.24 178.08 1cr2 h ARG 404 N 0.80 0.53 0.03 3.56 9.65 -1.97 -1.77 114.38 125.21 1cr2 h ARG 404 Ca 0.18 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1cr2 h ARG 404 Cb 0.21 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1cr2 h ARG 404 CO -0.01 0.70 -0.02 1.25 2.80 0.00 0.00 179.97 184.69 1cr2 h LEU 405 N 0.47 -0.04 -0.87 3.80 5.85 -0.72 -3.06 115.31 120.75 1cr2 h LEU 405 Ca 0.08 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.31 1cr2 h LEU 405 Cb 0.61 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1cr2 h LEU 405 CO 0.04 0.55 0.53 -0.07 -0.34 0.00 0.00 178.44 179.16 1cr2 h LEU 406 N -0.65 0.83 -0.61 2.25 -0.00 0.38 -0.72 115.31 116.79 1cr2 h LEU 406 Ca -0.00 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1cr2 h LEU 406 Cb 0.59 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.05 1cr2 h LEU 406 CO 0.01 0.52 0.32 0.00 -0.00 0.00 0.00 178.44 179.29 1cr2 h ALA 407 N 1.42 0.81 -0.41 1.53 0.00 -1.36 0.24 119.26 121.48 1cr2 h ALA 407 Ca 0.38 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 1cr2 h ALA 407 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1cr2 h ALA 407 CO -0.19 -0.02 -0.25 0.87 0.00 0.00 0.00 179.25 179.66 1cr2 h LYS 408 N 0.60 0.86 0.27 0.00 1.79 -1.26 -2.41 116.57 116.42 1cr2 h LYS 408 Ca 0.28 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1cr2 h LYS 408 Cb 0.19 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1cr2 h LYS 408 CO -0.19 1.01 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.99 1cr2 h LEU 409 N 0.74 -0.31 -1.85 2.94 3.38 -0.44 -0.87 115.31 118.89 1cr2 h LEU 409 Ca 0.09 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1cr2 h LEU 409 Cb 0.79 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1cr2 h LEU 409 CO 0.07 -0.18 0.33 0.00 0.09 0.00 0.00 178.44 178.75 1cr2 h ALA 410 N 0.30 2.22 -0.06 1.53 0.00 -0.94 -0.72 119.26 121.59 1cr2 h ALA 410 Ca -0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1cr2 h ALA 410 Cb 0.32 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1cr2 h ALA 410 CO 0.06 -0.34 -0.93 -0.92 0.00 0.00 0.00 179.25 177.12 1cr2 h TYR 411 N 0.17 1.03 -0.17 0.00 3.20 -1.02 -1.12 116.97 119.07 1cr2 h TYR 411 Ca 0.22 -0.52 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1cr2 h TYR 411 Cb 0.66 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1cr2 h TYR 411 CO -0.00 1.35 0.11 0.52 -1.64 0.00 0.00 178.16 178.50 1cr2 h MET 412 N 0.45 0.21 0.02 1.82 2.86 0.28 0.19 114.93 120.77 1cr2 h MET 412 Ca -0.10 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1cr2 h MET 412 Cb 1.57 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1cr2 h MET 412 CO 0.18 0.14 -0.01 -0.09 1.06 0.00 0.00 176.91 178.19 1cr2 h ARG 413 N 0.22 -0.03 0.30 1.72 1.12 -1.26 -0.78 114.38 115.67 1cr2 h ARG 413 Ca 0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1cr2 h ARG 413 Cb -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 1cr2 h ARG 413 CO -0.01 -0.02 -0.15 0.77 -3.11 0.00 0.00 179.97 177.45 1cr2 h SER 414 N -0.21 -0.34 0.01 -3.80 0.02 -1.23 0.54 113.55 108.54 1cr2 h SER 414 Ca -0.00 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1cr2 h SER 414 Cb 0.02 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1cr2 h SER 414 CO 0.00 -0.15 -0.15 1.23 -1.14 0.00 0.00 176.83 176.63 1cr2 h GLY 415 N -0.53 0.08 0.05 -3.77 0.00 -0.83 -3.35 103.07 94.73 1cr2 h GLY 415 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1cr2 h GLY 415 CO 0.07 0.15 -0.26 1.04 0.00 0.00 0.00 176.54 177.54 1cr2 n LEU 416 N -4.56 1.17 -3.00 3.11 4.77 -0.67 -4.97 117.00 112.85 1cr2 n LEU 416 Ca -0.10 -0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 55.33 1cr2 n LEU 416 Cb 0.50 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1cr2 n LEU 416 CO 0.37 0.22 -0.05 0.61 -1.33 0.00 0.00 177.39 177.21 1cr2 n GLY 417 N 1.34 -0.51 3.78 -0.72 0.00 0.18 -4.92 105.19 104.33 1cr2 n GLY 417 Ca 0.12 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1cr2 n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr2 h ASP 419 N 3.08 0.23 -4.23 0.00 3.32 -0.88 -3.43 116.42 114.50 1cr2 h ASP 419 Ca -0.50 -0.49 -0.55 0.00 0.02 0.00 0.00 57.03 55.51 1cr2 h ASP 419 Cb 1.24 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 1cr2 h ASP 419 CO 0.64 1.44 -0.83 -0.69 -1.72 0.00 0.00 179.24 178.08 1cr2 s VAL 420 N -2.58 1.37 -0.10 -1.35 1.01 -1.17 -0.80 120.40 116.78 1cr2 s VAL 420 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1cr2 s VAL 420 Cb 0.07 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1cr2 s VAL 420 CO 0.80 0.39 -0.10 -0.63 0.00 0.00 0.00 175.10 175.56 1cr2 s ILE 421 N -0.31 1.09 -0.15 2.22 1.01 0.29 -0.38 121.20 124.97 1cr2 s ILE 421 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1cr2 s ILE 421 Cb -0.08 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1cr2 s ILE 421 CO -0.00 0.37 0.02 -0.63 0.00 0.00 0.00 174.94 174.70 1cr2 s ILE 422 N 1.30 4.43 -0.33 2.92 1.01 -0.05 -1.16 121.20 129.31 1cr2 s ILE 422 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1cr2 s ILE 422 Cb -0.14 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.45 1cr2 s ILE 422 CO -0.04 0.51 0.05 -0.22 0.00 0.00 0.00 174.94 175.25 1cr2 s LEU 423 N -0.02 4.23 -0.28 2.97 2.96 0.55 -0.71 118.68 128.38 1cr2 s LEU 423 Ca 0.04 -1.40 0.02 0.00 -0.22 0.00 0.00 54.13 52.57 1cr2 s LEU 423 Cb -0.13 -1.76 0.08 0.00 0.50 0.00 0.00 46.19 44.89 1cr2 s LEU 423 CO 0.02 -0.32 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.10 1cr2 s ASP 424 N 1.38 4.28 0.00 3.68 -1.08 -0.33 -1.67 116.67 122.92 1cr2 s ASP 424 Ca -0.02 -1.61 0.00 0.00 -0.52 0.00 0.00 52.55 50.40 1cr2 s ASP 424 Cb -0.20 -1.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.92 1cr2 s ASP 424 CO -0.01 -0.30 0.00 0.00 0.52 0.00 0.00 175.17 175.38 1cr2 n HIS 425 N 4.52 -0.11 -4.00 -5.34 1.44 -1.26 0.56 115.22 111.03 1cr2 n HIS 425 Ca -0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.56 1cr2 n HIS 425 Cb 0.43 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.43 1cr2 n HIS 425 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1cr2 s ILE 426 N -2.28 0.16 -0.11 0.61 1.01 -0.72 -4.74 121.20 115.13 1cr2 s ILE 426 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1cr2 s ILE 426 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1cr2 s ILE 426 CO 0.00 -0.56 -0.20 -0.94 0.00 0.00 0.00 174.94 173.24 1cr2 s SER 427 N -1.66 3.43 0.29 3.58 1.04 -1.26 -0.85 113.70 118.27 1cr2 s SER 427 Ca -0.12 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.54 1cr2 s SER 427 Cb -0.08 -1.49 -0.13 0.00 0.10 0.00 0.00 66.02 64.43 1cr2 s SER 427 CO -0.02 0.16 1.40 -0.38 0.98 0.00 0.00 173.24 175.38 1cr2 n ILE 428 N 3.52 1.40 0.00 -1.02 5.41 -1.25 -4.97 119.36 122.45 1cr2 n ILE 428 Ca -0.19 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.21 1cr2 n ILE 428 Cb 0.53 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1cr2 n ILE 428 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1cr2 n ARG 439 N 1.43 3.07 -0.05 0.38 1.85 -1.26 -4.99 116.66 117.09 1cr2 n ARG 439 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.92 1cr2 n ARG 439 Cb 0.34 -0.62 -0.01 0.00 -1.05 0.00 0.00 32.46 31.12 1cr2 n ARG 439 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1cr2 n LYS 440 N -0.57 -0.05 0.00 2.89 0.00 -1.26 0.67 118.16 119.84 1cr2 n LYS 440 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 58.31 59.10 1cr2 n LYS 440 Cb 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1cr2 n LYS 440 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1cr2 n MET 441 N -3.06 0.00 -0.33 1.64 1.56 -1.26 0.34 117.12 116.02 1cr2 n MET 441 Ca 0.00 0.57 0.04 0.00 -0.27 0.00 0.00 57.70 58.04 1cr2 n MET 441 Cb 0.03 -1.03 0.12 0.00 2.15 0.00 0.00 33.22 34.49 1cr2 n MET 441 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1cr2 h ILE 442 N 0.00 0.09 0.39 1.12 1.08 -1.77 0.22 117.51 118.63 1cr2 h ILE 442 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1cr2 h ILE 442 Cb 0.00 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 1cr2 h ILE 442 CO 0.00 0.00 -0.30 0.44 -0.69 0.00 0.00 178.15 177.60 1cr2 h ASP 443 N -0.00 -0.77 -0.80 1.72 3.45 0.12 0.19 116.42 120.33 1cr2 h ASP 443 Ca 0.44 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.94 1cr2 h ASP 443 Cb 0.66 0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 39.64 1cr2 h ASP 443 CO -0.94 -0.45 0.45 -1.13 -1.57 0.00 0.00 179.24 175.61 1cr2 h ASN 444 N -0.68 0.99 0.19 6.45 -0.73 0.89 0.13 115.58 122.82 1cr2 h ASN 444 Ca -0.03 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.05 1cr2 h ASN 444 Cb 0.59 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1cr2 h ASN 444 CO -0.00 0.78 -0.09 0.25 -0.37 0.00 0.00 177.43 178.00 1cr2 h LEU 445 N 1.12 -0.22 -0.98 0.34 5.85 -0.40 0.12 115.31 121.14 1cr2 h LEU 445 Ca 0.29 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1cr2 h LEU 445 Cb 0.00 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1cr2 h LEU 445 CO -0.05 0.07 0.64 0.24 -0.34 0.00 0.00 178.44 179.00 1cr2 h MET 446 N -0.51 1.26 -0.26 1.25 2.86 -0.43 0.62 114.93 119.71 1cr2 h MET 446 Ca -0.03 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1cr2 h MET 446 Cb 0.39 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1cr2 h MET 446 CO 0.04 0.83 -0.23 0.00 1.06 0.00 0.00 176.91 178.62 1cr2 h THR 447 N 1.30 1.26 0.02 2.22 1.03 -0.57 -0.31 112.91 117.85 1cr2 h THR 447 Ca 0.37 -1.22 -0.20 0.00 -0.01 0.00 0.00 66.41 65.35 1cr2 h THR 447 Cb -0.11 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1cr2 h THR 447 CO -0.09 0.39 -0.92 0.11 -0.01 0.00 0.00 175.52 175.00 1cr2 h LYS 448 N 0.43 0.14 -0.15 0.00 1.57 0.20 -2.53 116.57 116.23 1cr2 h LYS 448 Ca 0.07 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1cr2 h LYS 448 Cb 0.63 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1cr2 h LYS 448 CO 0.05 0.96 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.77 1cr2 h LEU 449 N 0.07 0.30 -0.67 2.94 3.38 0.62 -1.16 115.31 120.80 1cr2 h LEU 449 Ca -0.04 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1cr2 h LEU 449 Cb 1.58 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1cr2 h LEU 449 CO 0.14 0.62 0.22 0.50 0.09 0.00 0.00 178.44 180.00 1cr2 h LYS 450 N -0.01 1.03 -0.42 1.13 1.63 -1.14 0.04 116.57 118.83 1cr2 h LYS 450 Ca 0.04 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1cr2 h LYS 450 Cb 0.49 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1cr2 h LYS 450 CO 0.02 0.89 0.23 0.78 -3.45 0.00 0.00 179.45 177.92 1cr2 h GLY 451 N 0.96 0.63 0.95 5.01 0.00 -1.40 0.26 103.07 109.48 1cr2 h GLY 451 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1cr2 h GLY 451 CO -0.01 0.27 0.11 -2.75 0.00 0.00 0.00 176.54 174.17 1cr2 h PHE 452 N 0.55 0.21 0.06 5.60 3.57 -0.95 0.14 116.94 126.11 1cr2 h PHE 452 Ca 0.15 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1cr2 h PHE 452 Cb 0.06 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1cr2 h PHE 452 CO -0.02 0.12 -0.03 0.00 -2.23 0.00 0.00 178.31 176.15 1cr2 h ALA 453 N 1.09 -0.08 -0.74 2.41 0.00 -0.59 -2.17 119.26 119.18 1cr2 h ALA 453 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1cr2 h ALA 453 Cb -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cr2 h ALA 453 CO -0.04 -0.51 0.35 -0.22 0.00 0.00 0.00 179.25 178.84 1cr2 h LYS 454 N -0.16 1.07 -0.01 0.00 3.64 -0.38 -0.41 116.57 120.32 1cr2 h LYS 454 Ca -0.01 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 1cr2 h LYS 454 Cb 0.14 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1cr2 h LYS 454 CO 0.01 0.84 -0.79 0.66 -2.27 0.00 0.00 179.45 177.90 1cr2 h SER 455 N 1.04 0.15 0.24 4.20 4.64 -0.89 -3.34 113.55 119.60 1cr2 h SER 455 Ca 0.25 -0.12 -0.33 0.00 -0.47 0.00 0.00 61.79 61.13 1cr2 h SER 455 Cb 0.13 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1cr2 h SER 455 CO -0.03 0.88 -2.05 0.35 -0.87 0.00 0.00 176.83 175.12 1cr2 n THR 456 N -3.68 1.52 -0.53 2.95 -2.24 -0.82 -4.99 114.28 106.48 1cr2 n THR 456 Ca -0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1cr2 n THR 456 Cb 0.75 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1cr2 n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr2 n GLY 457 N 1.68 0.75 3.77 3.38 0.00 -0.16 -4.94 105.19 109.66 1cr2 n GLY 457 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1cr2 n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr2 s VAL 458 N -2.40 3.06 -0.27 1.61 0.11 -1.24 -2.18 120.40 119.09 1cr2 s VAL 458 Ca 0.00 0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 59.28 1cr2 s VAL 458 Cb 0.00 -2.95 -0.05 0.00 -1.53 0.00 0.00 36.38 31.86 1cr2 s VAL 458 CO 0.00 -0.45 0.21 0.54 -3.33 0.00 0.00 175.10 172.07 1cr2 s VAL 459 N -3.02 5.31 -0.23 2.04 0.11 0.02 -0.88 120.40 123.76 1cr2 s VAL 459 Ca 0.62 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.83 1cr2 s VAL 459 Cb -0.16 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1cr2 s VAL 459 CO 0.56 0.26 0.02 -0.22 -3.33 0.00 0.00 175.10 172.39 1cr2 s LEU 460 N 1.62 3.28 -0.18 2.54 2.96 -0.98 -0.55 118.68 127.37 1cr2 s LEU 460 Ca 0.08 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1cr2 s LEU 460 Cb -0.15 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1cr2 s LEU 460 CO 0.09 0.01 -0.16 0.54 -1.32 0.00 0.00 176.35 175.51 1cr2 s VAL 461 N 1.35 2.42 -0.08 1.68 0.11 -0.31 0.12 120.40 125.70 1cr2 s VAL 461 Ca 0.05 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1cr2 s VAL 461 Cb -0.15 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1cr2 s VAL 461 CO 0.02 0.51 -0.15 0.54 -3.33 0.00 0.00 175.10 172.68 1cr2 s VAL 462 N 1.22 2.92 -0.17 2.04 0.11 0.13 -0.33 120.40 126.32 1cr2 s VAL 462 Ca 0.03 -0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 1cr2 s VAL 462 Cb -0.14 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 1cr2 s VAL 462 CO -0.08 0.57 0.12 -0.63 -3.33 0.00 0.00 175.10 171.74 1cr2 s ILE 463 N -0.29 5.29 0.04 7.04 1.01 -0.67 -1.40 121.20 132.22 1cr2 s ILE 463 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1cr2 s ILE 463 Cb -0.13 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1cr2 s ILE 463 CO 0.03 0.51 -0.09 0.00 0.00 0.00 0.00 174.94 175.38 1cr2 s HIS 465 N -1.22 3.76 -0.55 0.00 3.76 -0.03 -4.17 115.29 116.84 1cr2 s HIS 465 Ca -0.06 1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 56.02 1cr2 s HIS 465 Cb -0.09 -2.52 0.14 0.00 1.11 0.00 0.00 32.58 31.22 1cr2 s HIS 465 CO 0.01 0.51 0.39 -0.51 -0.85 0.00 0.00 174.74 174.29 1cr2 s LEU 466 N -0.80 5.52 -0.00 0.89 1.43 -1.18 -3.82 118.68 120.72 1cr2 s LEU 466 Ca 0.29 -2.37 0.14 0.00 -1.03 0.00 0.00 54.13 51.16 1cr2 s LEU 466 Cb -0.19 -1.93 -0.16 0.00 0.03 0.00 0.00 46.19 43.95 1cr2 s LEU 466 CO 0.18 -0.53 0.56 1.17 0.23 0.00 0.00 176.35 177.97 1cr2 n LYS 467 N 4.21 2.19 0.00 1.70 4.81 -1.26 -4.41 118.16 125.40 1cr2 n LYS 467 Ca 0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cr2 n LYS 467 Cb 0.40 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1cr2 n LYS 467 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1cr2 n SER 489 N -1.40 0.00 0.00 3.14 3.41 -1.26 -5.14 113.62 112.37 1cr2 n SER 489 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1cr2 n SER 489 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1cr2 n SER 489 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cr2 n GLY 490 N 0.00 0.00 0.27 5.00 0.00 -1.26 -1.46 105.19 107.74 1cr2 n GLY 490 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1cr2 n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr2 h ALA 491 N -2.64 1.34 -0.12 4.61 0.00 -1.93 -2.97 119.26 117.55 1cr2 h ALA 491 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cr2 h ALA 491 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1cr2 h ALA 491 CO 0.00 0.13 -0.49 -0.07 0.00 0.00 0.00 179.25 178.82 1cr2 h LEU 492 N 0.00 -1.55 -0.61 0.00 3.38 -1.89 1.10 115.31 115.74 1cr2 h LEU 492 Ca -0.00 0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1cr2 h LEU 492 Cb 0.29 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1cr2 h LEU 492 CO 0.01 -0.47 -0.21 0.08 0.09 0.00 0.00 178.44 177.94 1cr2 h ARG 493 N -0.56 0.88 0.36 1.13 0.11 -1.16 -2.75 114.38 112.38 1cr2 h ARG 493 Ca 0.05 -0.36 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 1cr2 h ARG 493 Cb 0.67 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1cr2 h ARG 493 CO -0.41 1.00 -0.17 0.37 0.10 0.00 0.00 179.97 180.86 1cr2 h GLN 494 N 0.76 -0.46 0.00 0.08 5.75 -1.22 -3.34 115.11 116.68 1cr2 h GLN 494 Ca 0.10 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1cr2 h GLN 494 Cb 0.75 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1cr2 h GLN 494 CO 0.06 -0.16 -0.34 -0.07 -2.65 0.00 0.00 178.83 175.67 1cr2 h LEU 495 N -0.97 0.00 -9.78 -2.39 3.38 0.11 -3.44 115.31 102.22 1cr2 h LEU 495 Ca -0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 1cr2 h LEU 495 Cb 0.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.31 1cr2 h LEU 495 CO 0.08 0.34 0.58 -0.44 0.09 0.00 0.00 178.44 179.10 1cr2 s SER 496 N -6.49 7.00 -0.01 -0.43 0.01 -1.04 -4.76 113.70 107.98 1cr2 s SER 496 Ca -0.01 2.42 -0.02 0.00 1.31 0.00 0.00 55.95 59.65 1cr2 s SER 496 Cb 0.12 -2.63 -0.27 0.00 0.21 0.00 0.00 66.02 63.45 1cr2 s SER 496 CO 0.68 -0.39 0.79 0.44 0.41 0.00 0.00 173.24 175.17 1cr2 h ASP 497 N 4.28 0.36 -3.59 2.44 3.32 -1.66 -3.47 116.42 118.11 1cr2 h ASP 497 Ca -0.47 -0.54 -0.26 0.00 0.02 0.00 0.00 57.03 55.78 1cr2 h ASP 497 Cb 1.22 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 1cr2 h ASP 497 CO 0.70 1.46 -0.69 -0.89 -1.72 0.00 0.00 179.24 178.10 1cr2 s THR 498 N -2.61 -0.03 -0.12 0.35 2.01 -1.21 0.58 115.64 114.60 1cr2 s THR 498 Ca -0.10 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1cr2 s THR 498 Cb 0.07 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.49 1cr2 s THR 498 CO 0.84 0.05 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.02 1cr2 s ILE 499 N 0.68 1.67 -0.13 1.82 1.01 0.78 -0.52 121.20 126.50 1cr2 s ILE 499 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1cr2 s ILE 499 Cb -0.08 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1cr2 s ILE 499 CO -0.02 0.47 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1cr2 s ILE 500 N 0.99 2.98 -0.07 2.92 1.01 0.23 -1.54 121.20 127.72 1cr2 s ILE 500 Ca -0.06 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1cr2 s ILE 500 Cb -0.15 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1cr2 s ILE 500 CO -0.03 0.52 -0.23 0.00 0.00 0.00 0.00 174.94 175.21 1cr2 s ALA 501 N 0.38 2.26 -0.14 9.38 0.00 -0.29 0.06 121.76 133.42 1cr2 s ALA 501 Ca -0.11 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 1cr2 s ALA 501 Cb -0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1cr2 s ALA 501 CO 0.06 0.40 0.06 -0.51 0.00 0.00 0.00 175.76 175.77 1cr2 s LEU 502 N -0.13 3.86 -0.01 0.00 1.43 -0.58 -0.83 118.68 122.41 1cr2 s LEU 502 Ca -0.04 0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1cr2 s LEU 502 Cb -0.14 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1cr2 s LEU 502 CO 0.04 0.30 -0.15 -1.61 0.23 0.00 0.00 176.35 175.15 1cr2 s GLU 503 N -0.36 1.25 -0.08 1.70 2.02 0.45 -4.59 118.70 119.07 1cr2 s GLU 503 Ca 0.09 -0.55 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 1cr2 s GLU 503 Cb -0.12 -1.20 0.04 0.00 0.10 0.00 0.00 34.13 32.95 1cr2 s GLU 503 CO 0.02 0.33 0.18 0.50 0.02 0.00 0.00 175.26 176.31 1cr2 s ARG 504 N -0.36 0.11 0.00 1.61 3.52 -1.26 -0.37 118.95 122.20 1cr2 s ARG 504 Ca 0.06 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1cr2 s ARG 504 Cb -0.06 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 1cr2 s ARG 504 CO -0.01 -0.20 0.00 0.09 -0.81 0.00 0.00 175.30 174.37 1cr2 n ASN 505 N 4.50 0.00 -0.24 -2.12 5.03 -1.26 -5.10 115.26 116.08 1cr2 n ASN 505 Ca -0.21 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.24 1cr2 n ASN 505 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1cr2 n ASN 505 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1cr2 n ASN 512 N 0.13 0.11 -4.46 6.41 3.02 -1.26 -5.27 115.26 113.94 1cr2 n ASN 512 Ca 0.00 -0.47 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 1cr2 n ASN 512 Cb 0.00 -0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1cr2 n ASN 512 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1cr2 s LEU 513 N -0.52 4.71 -0.19 3.41 2.96 -1.26 0.17 118.68 127.95 1cr2 s LEU 513 Ca 0.00 -0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 1cr2 s LEU 513 Cb 0.00 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1cr2 s LEU 513 CO 0.00 -1.07 0.07 -0.69 -1.32 0.00 0.00 176.35 173.35 1cr2 s VAL 514 N 3.15 4.83 -0.13 1.68 1.01 0.19 -4.68 120.40 126.45 1cr2 s VAL 514 Ca 0.20 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 1cr2 s VAL 514 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1cr2 s VAL 514 CO 0.13 0.45 0.57 -0.22 0.00 0.00 0.00 175.10 176.03 1cr2 s LEU 515 N 0.46 4.24 -0.35 3.92 2.96 0.50 -0.25 118.68 130.16 1cr2 s LEU 515 Ca 0.04 0.90 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 1cr2 s LEU 515 Cb -0.12 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.73 1cr2 s LEU 515 CO 0.00 -0.11 0.21 -0.69 -1.32 0.00 0.00 176.35 174.45 1cr2 s VAL 516 N 1.06 4.85 -0.17 1.68 1.01 0.15 -0.42 120.40 128.57 1cr2 s VAL 516 Ca 0.29 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1cr2 s VAL 516 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1cr2 s VAL 516 CO 0.12 -0.09 -0.01 -0.60 0.00 0.00 0.00 175.10 174.52 1cr2 s ARG 517 N 1.63 3.73 -0.70 2.72 3.52 -0.01 -0.77 118.95 129.06 1cr2 s ARG 517 Ca 0.04 -0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 54.96 1cr2 s ARG 517 Cb -0.18 -2.99 0.11 0.00 -1.56 0.00 0.00 34.95 30.32 1cr2 s ARG 517 CO 0.08 0.22 0.88 0.42 -0.81 0.00 0.00 175.30 176.09 1cr2 s ILE 518 N 0.44 4.69 -0.66 4.11 -1.09 0.37 -1.14 121.20 127.91 1cr2 s ILE 518 Ca -0.02 -1.00 0.23 0.00 -2.23 0.00 0.00 60.65 57.63 1cr2 s ILE 518 Cb -0.14 -4.61 0.24 0.00 -1.58 0.00 0.00 42.46 36.37 1cr2 s ILE 518 CO 0.02 -1.31 1.71 0.18 -1.23 0.00 0.00 174.94 174.32 1cr2 n LEU 519 N 6.68 0.56 0.00 2.97 4.77 -0.59 -1.47 117.00 129.92 1cr2 n LEU 519 Ca 0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1cr2 n LEU 519 Cb 0.45 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1cr2 n LEU 519 CO 0.57 -0.38 0.00 1.17 -1.33 0.00 0.00 177.39 177.42 1cr2 n LYS 520 N -2.08 0.00 -3.29 3.23 3.00 -1.21 -4.88 118.16 112.92 1cr2 n LYS 520 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.26 1cr2 n LYS 520 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.26 1cr2 n LYS 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cr2 h ARG 522 N 7.51 -0.50 -0.96 0.00 2.43 -0.20 0.85 114.38 123.51 1cr2 h ARG 522 Ca -0.00 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 1cr2 h ARG 522 Cb 1.12 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.68 1cr2 h ARG 522 CO 0.20 -0.34 0.56 0.35 -1.51 0.00 0.00 179.97 179.23 1cr2 h PHE 523 N -0.52 0.97 0.00 2.20 3.04 -1.95 -3.19 116.94 117.48 1cr2 h PHE 523 Ca 0.06 0.03 -0.28 0.00 3.98 0.00 0.00 57.97 61.76 1cr2 h PHE 523 Cb 0.65 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 1cr2 h PHE 523 CO -0.54 0.20 -2.07 -2.37 -2.02 0.00 0.00 178.31 171.51 1cr2 n THR 524 N -4.81 1.07 -0.13 4.41 5.66 -1.02 -4.98 114.28 114.48 1cr2 n THR 524 Ca 0.22 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1cr2 n THR 524 Cb 0.55 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1cr2 n THR 524 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cr2 n GLY 525 N 2.15 2.59 3.60 1.09 0.00 0.29 -4.97 105.19 109.94 1cr2 n GLY 525 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1cr2 n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cr2 s ASP 526 N -3.77 6.43 0.51 1.61 3.68 -1.26 -4.86 116.67 119.02 1cr2 s ASP 526 Ca 0.00 0.61 0.03 0.00 2.13 0.00 0.00 52.55 55.32 1cr2 s ASP 526 Cb 0.00 -2.54 0.03 0.00 -1.45 0.00 0.00 42.92 38.95 1cr2 s ASP 526 CO 0.00 -1.39 0.25 0.35 0.13 0.00 0.00 175.17 174.50 1cr2 n THR 527 N 6.97 0.00 0.00 1.71 -2.24 -1.26 -4.59 114.28 114.86 1cr2 n THR 527 Ca 0.14 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 1cr2 n THR 527 Cb 0.49 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1cr2 n THR 527 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr2 n GLY 528 N -1.18 -1.03 3.66 3.38 0.00 -0.54 -4.91 105.19 104.57 1cr2 n GLY 528 Ca -0.09 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 1cr2 n GLY 528 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cr2 s ILE 529 N -0.29 4.90 0.09 -0.61 1.09 -1.26 0.14 121.20 125.26 1cr2 s ILE 529 Ca 0.00 1.54 -0.13 0.00 -1.10 0.00 0.00 60.65 60.95 1cr2 s ILE 529 Cb 0.00 -4.10 -0.20 0.00 -1.06 0.00 0.00 42.46 37.10 1cr2 s ILE 529 CO 0.00 0.03 1.24 0.00 -0.10 0.00 0.00 174.94 176.11 1cr2 h ALA 530 N 7.42 0.21 0.00 9.38 0.00 -1.27 -3.47 119.26 131.52 1cr2 h ALA 530 Ca -0.29 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1cr2 h ALA 530 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cr2 h ALA 530 CO 0.83 0.69 0.00 0.41 0.00 0.00 0.00 179.25 181.18 1cr2 n GLY 531 N 0.92 -1.05 3.25 0.00 0.00 -1.21 -4.19 105.19 102.91 1cr2 n GLY 531 Ca -0.09 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 1cr2 n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cr2 s TYR 532 N -3.00 1.82 0.19 1.61 1.51 -1.26 -0.67 117.35 117.55 1cr2 s TYR 532 Ca 0.00 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1cr2 s TYR 532 Cb 0.00 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1cr2 s TYR 532 CO 0.00 0.09 -0.18 -1.64 -1.11 0.00 0.00 175.55 172.71 1cr2 s MET 533 N -1.18 1.37 -0.10 -0.62 -1.94 0.65 -1.69 119.30 115.79 1cr2 s MET 533 Ca 0.07 -1.51 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 1cr2 s MET 533 Cb -0.09 -1.41 0.01 0.00 2.01 0.00 0.00 34.83 35.36 1cr2 s MET 533 CO 0.02 0.27 -0.17 -2.00 -0.01 0.00 0.00 175.02 173.13 1cr2 s GLU 534 N -3.07 2.34 -0.13 2.03 2.12 0.47 0.56 118.70 123.02 1cr2 s GLU 534 Ca 0.20 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.63 1cr2 s GLU 534 Cb -0.05 -1.92 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 1cr2 s GLU 534 CO 0.08 -0.01 0.95 -0.47 -0.54 0.00 0.00 175.26 175.27 1cr2 s TYR 535 N 0.82 3.48 -0.62 5.30 6.14 0.13 0.51 117.35 133.10 1cr2 s TYR 535 Ca -0.10 1.47 -0.22 0.00 0.64 0.00 0.00 57.07 58.87 1cr2 s TYR 535 Cb -0.16 -3.13 0.07 0.00 0.42 0.00 0.00 41.96 39.17 1cr2 s TYR 535 CO 0.01 -0.23 0.88 1.21 0.64 0.00 0.00 175.55 178.05 1cr2 s ASN 536 N 1.11 6.20 0.04 4.32 3.04 -0.33 -4.83 114.94 124.48 1cr2 s ASN 536 Ca 0.45 -0.99 0.03 0.00 0.04 0.00 0.00 52.86 52.38 1cr2 s ASN 536 Cb -0.18 -2.39 0.14 0.00 -1.54 0.00 0.00 41.25 37.29 1cr2 s ASN 536 CO 0.16 -1.30 1.07 2.29 -3.04 0.00 0.00 177.10 176.28 1cr2 n LYS 537 N 7.26 0.02 -0.06 0.43 2.85 -1.26 -0.17 118.16 127.23 1cr2 n LYS 537 Ca -0.05 0.51 -0.22 0.00 -1.05 0.00 0.00 58.31 57.50 1cr2 n LYS 537 Cb 0.45 -1.57 -0.13 0.00 -0.65 0.00 0.00 35.03 33.14 1cr2 n LYS 537 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cr2 n GLU 538 N -1.59 0.67 0.02 -1.58 4.71 -1.26 -4.53 120.64 117.09 1cr2 n GLU 538 Ca -0.00 0.34 0.05 0.00 -0.01 0.00 0.00 57.16 57.55 1cr2 n GLU 538 Cb 0.01 -1.68 -0.10 0.00 -1.01 0.00 0.00 31.44 28.67 1cr2 n GLU 538 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1cr2 n THR 539 N -3.82 0.66 -0.82 2.62 -2.24 -1.05 -4.01 114.28 105.61 1cr2 n THR 539 Ca -0.36 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1cr2 n THR 539 Cb 0.92 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1cr2 n THR 539 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr2 n GLY 540 N 1.34 0.69 3.87 3.38 0.00 0.76 -3.54 105.19 111.70 1cr2 n GLY 540 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1cr2 n GLY 540 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cr2 s TRP 541 N -2.53 3.55 -0.24 1.61 0.52 -1.25 -4.86 118.94 115.74 1cr2 s TRP 541 Ca 0.00 0.82 -0.20 0.00 0.02 0.00 0.00 56.10 56.74 1cr2 s TRP 541 Cb 0.00 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 1cr2 s TRP 541 CO 0.00 0.45 0.60 -0.51 0.02 0.00 0.00 176.95 177.51 1cr2 s LEU 542 N -2.17 4.08 0.19 2.99 1.43 -1.26 -1.19 118.68 122.75 1cr2 s LEU 542 Ca 0.37 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1cr2 s LEU 542 Cb -0.13 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1cr2 s LEU 542 CO 0.20 -0.32 0.07 -1.61 0.23 0.00 0.00 176.35 174.91 1cr2 s GLU 543 N 2.31 2.63 0.39 1.70 2.02 0.18 -4.81 118.70 123.12 1cr2 s GLU 543 Ca 0.25 -1.04 -0.26 0.00 0.02 0.00 0.00 54.97 53.94 1cr2 s GLU 543 Cb -0.16 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.52 1cr2 s GLU 543 CO 0.09 0.45 1.26 -1.25 0.02 0.00 0.00 175.26 175.83 1cr2 s PRO 544 N -3.15 4.05 0.03 0.39 0.04 -0.97 0.18 135.00 135.57 1cr2 s PRO 544 Ca 0.30 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.45 1cr2 s PRO 544 Cb -0.09 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1cr2 s PRO 544 CO 0.21 -0.39 -0.13 0.45 0.04 0.00 0.00 177.00 177.18 1cr2 s SER 545 N -0.83 4.16 -0.31 6.66 0.15 -0.68 -4.60 113.70 118.24 1cr2 s SER 545 Ca 0.56 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 1cr2 s SER 545 Cb -0.36 -0.81 0.26 0.00 -1.71 0.00 0.00 66.02 63.40 1cr2 s SER 545 CO 0.46 0.26 1.87 -1.54 1.20 0.00 0.00 173.24 175.49 1cr2 n SER 546 N 1.51 5.70 0.00 5.45 3.41 -1.26 -4.70 113.62 123.72 1cr2 n SER 546 Ca -0.16 -3.03 0.10 0.00 -0.26 0.00 0.00 58.87 55.52 1cr2 n SER 546 Cb 0.52 -0.95 0.59 0.00 -0.26 0.00 0.00 64.21 64.12 1cr2 n SER 546 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88