#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr1 h ARG 272 N 0.00 -0.09 -0.75 2.12 2.43 -2.05 2.11 114.38 118.16 1cr1 h ARG 272 Ca 0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1cr1 h ARG 272 Cb 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1cr1 h ARG 272 CO 0.00 -0.06 0.49 0.93 -1.51 0.00 0.00 179.97 179.82 1cr1 h GLU 273 N -0.10 0.80 -0.81 0.20 4.39 -2.05 0.15 114.58 117.15 1cr1 h GLU 273 Ca 0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1cr1 h GLU 273 Cb 0.22 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1cr1 h GLU 273 CO -0.31 0.53 0.48 0.00 -1.16 0.00 0.00 179.01 178.55 1cr1 h ARG 274 N 0.82 1.10 -0.01 2.33 -0.00 -1.15 -2.22 114.38 115.25 1cr1 h ARG 274 Ca 0.32 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.98 59.66 1cr1 h ARG 274 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 29.94 1cr1 h ARG 274 CO -0.10 0.78 -0.12 0.82 0.00 0.00 0.00 179.97 181.35 1cr1 h ILE 275 N 1.11 1.54 -0.09 2.04 1.08 0.47 -3.01 117.51 120.65 1cr1 h ILE 275 Ca 0.29 -1.77 0.01 0.00 -0.39 0.00 0.00 64.86 63.00 1cr1 h ILE 275 Cb -0.03 2.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 1cr1 h ILE 275 CO -0.05 0.48 -0.16 -0.09 -0.69 0.00 0.00 178.15 177.63 1cr1 h ARG 276 N -0.57 -0.13 -0.72 2.37 2.43 -0.68 0.84 114.38 117.91 1cr1 h ARG 276 Ca -0.01 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1cr1 h ARG 276 Cb 0.84 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 1cr1 h ARG 276 CO 0.02 -0.09 0.48 1.49 -1.51 0.00 0.00 179.97 180.36 1cr1 h GLU 277 N -0.14 0.60 -0.50 0.20 4.57 -1.57 0.22 114.58 117.98 1cr1 h GLU 277 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1cr1 h GLU 277 Cb 0.18 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1cr1 h GLU 277 CO -0.16 0.40 0.32 1.25 -1.18 0.00 0.00 179.01 179.64 1cr1 h HIS 278 N 0.62 0.63 -0.08 0.92 2.76 -1.01 -0.03 115.15 118.97 1cr1 h HIS 278 Ca 0.33 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1cr1 h HIS 278 Cb 0.47 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1cr1 h HIS 278 CO -0.00 0.40 0.03 -0.07 -1.30 0.00 0.00 177.93 176.99 1cr1 h LEU 279 N 0.67 0.11 0.00 0.26 3.38 0.32 -2.79 115.31 117.25 1cr1 h LEU 279 Ca 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1cr1 h LEU 279 Cb -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1cr1 h LEU 279 CO -0.04 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 1cr1 n SER 280 N -4.94 0.00 -0.00 -0.43 3.41 0.53 -3.55 113.62 108.63 1cr1 n SER 280 Ca -0.06 -0.92 0.03 0.00 -0.26 0.00 0.00 58.87 57.66 1cr1 n SER 280 Cb 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1cr1 n SER 280 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cr1 n SER 281 N -0.98 0.82 -4.69 4.04 2.88 -0.05 -5.02 113.62 110.61 1cr1 n SER 281 Ca 0.20 -0.53 -0.42 0.00 -1.33 0.00 0.00 58.87 56.78 1cr1 n SER 281 Cb 0.09 1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.57 1cr1 n SER 281 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1cr1 s GLU 282 N -1.69 4.46 -0.72 -1.46 2.12 -1.07 -5.02 118.70 115.32 1cr1 s GLU 282 Ca 0.01 1.40 -0.16 0.00 0.36 0.00 0.00 54.97 56.59 1cr1 s GLU 282 Cb 0.04 -3.52 0.16 0.00 0.26 0.00 0.00 34.13 31.07 1cr1 s GLU 282 CO 0.24 -0.24 0.74 -1.83 -0.54 0.00 0.00 175.26 173.63 1cr1 s GLU 283 N 1.74 3.33 -0.05 4.30 4.04 -1.26 -4.92 118.70 125.89 1cr1 s GLU 283 Ca 0.49 -1.92 -0.23 0.00 0.04 0.00 0.00 54.97 53.35 1cr1 s GLU 283 Cb -0.19 -4.43 -0.26 0.00 0.02 0.00 0.00 34.13 29.27 1cr1 s GLU 283 CO 0.21 -1.43 0.99 0.66 -1.84 0.00 0.00 175.26 173.85 1cr1 h SER 284 N 8.51 0.33 -3.50 0.83 4.64 -1.96 -3.44 113.55 118.97 1cr1 h SER 284 Ca -0.07 -0.84 -0.61 0.00 -0.47 0.00 0.00 61.79 59.80 1cr1 h SER 284 Cb 1.06 -0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.93 1cr1 h SER 284 CO 0.95 1.13 0.25 -0.69 -0.87 0.00 0.00 176.83 177.60 1cr1 s VAL 285 N -2.89 4.87 0.00 0.95 1.01 -1.26 -4.89 120.40 118.19 1cr1 s VAL 285 Ca -0.15 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1cr1 s VAL 285 Cb 0.01 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1cr1 s VAL 285 CO 0.78 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1cr1 n GLY 286 N 4.37 1.45 3.64 4.51 0.00 -0.28 -4.96 105.19 113.93 1cr1 n GLY 286 Ca 0.01 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1cr1 n GLY 286 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cr1 s LEU 287 N 0.00 4.07 0.35 0.99 1.43 0.49 -4.44 118.68 121.57 1cr1 s LEU 287 Ca 0.00 1.73 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 1cr1 s LEU 287 Cb 0.00 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1cr1 s LEU 287 CO 0.00 -1.03 1.25 -0.76 0.23 0.00 0.00 176.35 176.04 1cr1 s LEU 288 N 4.39 4.37 0.80 1.79 1.43 -1.26 0.19 118.68 130.40 1cr1 s LEU 288 Ca 0.66 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 56.21 1cr1 s LEU 288 Cb -0.25 -3.75 0.09 0.00 0.03 0.00 0.00 46.19 42.31 1cr1 s LEU 288 CO 0.25 -0.55 1.16 -0.36 0.23 0.00 0.00 176.35 177.07 1cr1 s PHE 289 N -1.21 2.80 0.05 0.29 0.40 -1.26 -4.92 117.98 114.14 1cr1 s PHE 289 Ca 0.51 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.48 1cr1 s PHE 289 Cb -0.37 -3.49 -0.03 0.00 0.51 0.00 0.00 43.02 39.65 1cr1 s PHE 289 CO 0.48 -1.78 -0.06 -1.12 0.70 0.00 0.00 175.22 173.45 1cr1 s SER 290 N -4.60 0.72 0.00 1.36 0.01 -1.26 -4.88 113.70 105.05 1cr1 s SER 290 Ca 0.63 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1cr1 s SER 290 Cb -0.10 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1cr1 s SER 290 CO 0.48 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1cr1 n GLY 291 N 0.90 3.23 3.01 3.44 0.00 -1.26 -4.91 105.19 109.61 1cr1 n GLY 291 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1cr1 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr1 s THR 293 N 0.96 3.12 0.00 0.00 -4.23 -1.26 -2.17 115.64 112.06 1cr1 s THR 293 Ca 0.09 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1cr1 s THR 293 Cb -0.19 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1cr1 s THR 293 CO -0.09 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1cr1 n GLY 294 N 5.40 1.36 0.26 3.99 0.00 -1.26 -4.52 105.19 110.42 1cr1 n GLY 294 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 1cr1 n GLY 294 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cr1 h ILE 295 N 0.00 1.03 0.00 -0.61 6.09 -1.60 -1.63 117.51 120.79 1cr1 h ILE 295 Ca 0.00 -0.26 -0.05 0.00 -1.37 0.00 0.00 64.86 63.19 1cr1 h ILE 295 Cb 0.00 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 37.50 1cr1 h ILE 295 CO 0.00 0.14 -0.23 0.78 -3.07 0.00 0.00 178.15 175.76 1cr1 h ASN 296 N 0.75 0.00 0.02 2.19 -0.26 -1.92 -2.47 115.58 113.89 1cr1 h ASN 296 Ca 0.28 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1cr1 h ASN 296 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1cr1 h ASN 296 CO -0.14 0.23 -0.01 0.44 -1.06 0.00 0.00 177.43 176.90 1cr1 h ASP 297 N 0.00 -0.02 0.63 5.81 3.45 -1.69 0.36 116.42 124.96 1cr1 h ASP 297 Ca -0.00 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1cr1 h ASP 297 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1cr1 h ASP 297 CO 0.03 0.25 -0.13 0.29 -1.57 0.00 0.00 179.24 178.11 1cr1 n LYS 298 N -4.97 0.29 0.00 3.56 5.02 -1.04 -4.36 118.16 116.66 1cr1 n LYS 298 Ca -0.08 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1cr1 n LYS 298 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1cr1 n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cr1 n THR 299 N -1.28 0.00 -2.08 -0.18 -2.24 -0.94 -4.40 114.28 103.16 1cr1 n THR 299 Ca 0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1cr1 n THR 299 Cb 0.30 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 1cr1 n THR 299 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cr1 n LEU 300 N -1.15 -1.44 0.00 3.22 4.77 0.13 -4.80 117.00 117.73 1cr1 n LEU 300 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1cr1 n LEU 300 Cb 0.19 -1.92 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1cr1 n LEU 300 CO 0.00 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1cr1 n GLY 301 N -1.10 -2.25 3.52 -0.72 0.00 -1.26 -1.12 105.19 102.26 1cr1 n GLY 301 Ca -0.14 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1cr1 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr1 s ALA 302 N -1.09 3.39 0.23 4.61 0.00 0.13 -4.48 121.76 124.54 1cr1 s ALA 302 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1cr1 s ALA 302 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 1cr1 s ALA 302 CO 0.00 -0.66 0.47 1.03 0.00 0.00 0.00 175.76 176.60 1cr1 s ARG 303 N 1.69 3.61 0.32 0.00 0.52 -1.26 0.19 118.95 124.01 1cr1 s ARG 303 Ca 0.06 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1cr1 s ARG 303 Cb -0.16 -2.75 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 1cr1 s ARG 303 CO 0.08 0.33 1.22 0.20 0.02 0.00 0.00 175.30 177.16 1cr1 s GLY 304 N -2.96 3.02 0.00 -3.53 0.00 -1.26 -2.90 107.32 99.69 1cr1 s GLY 304 Ca 0.42 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1cr1 s GLY 304 CO 0.28 1.74 0.00 0.61 0.00 0.00 0.00 173.10 175.72 1cr1 n GLY 305 N 0.93 0.67 3.94 0.20 0.00 -0.21 -4.85 105.19 105.87 1cr1 n GLY 305 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1cr1 n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cr1 s GLU 306 N -0.77 3.44 -0.28 1.61 2.02 -1.14 -3.23 118.70 120.34 1cr1 s GLU 306 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 1cr1 s GLU 306 Cb 0.00 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.27 1cr1 s GLU 306 CO 0.00 0.53 0.03 0.08 0.02 0.00 0.00 175.26 175.91 1cr1 s VAL 307 N -1.72 3.55 -0.20 2.63 1.01 -1.26 -2.52 120.40 121.90 1cr1 s VAL 307 Ca 0.35 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1cr1 s VAL 307 Cb -0.11 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1cr1 s VAL 307 CO 0.28 0.13 0.25 -0.63 0.00 0.00 0.00 175.10 175.13 1cr1 s ILE 308 N 1.43 5.32 -0.20 2.22 -1.09 0.32 -0.29 121.20 128.90 1cr1 s ILE 308 Ca 0.02 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.81 1cr1 s ILE 308 Cb -0.17 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1cr1 s ILE 308 CO -0.00 0.36 -0.02 -0.32 -1.23 0.00 0.00 174.94 173.74 1cr1 s MET 309 N 0.74 3.53 -0.25 2.79 -2.45 0.15 0.08 119.30 123.90 1cr1 s MET 309 Ca 0.13 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1cr1 s MET 309 Cb -0.13 -3.04 0.02 0.00 1.25 0.00 0.00 34.83 32.93 1cr1 s MET 309 CO 0.03 -0.05 -0.05 0.08 1.05 0.00 0.00 175.02 176.09 1cr1 s VAL 310 N 1.13 3.04 0.23 10.11 1.01 -0.35 0.67 120.40 136.24 1cr1 s VAL 310 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1cr1 s VAL 310 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1cr1 s VAL 310 CO 0.01 0.22 0.05 0.28 0.00 0.00 0.00 175.10 175.66 1cr1 s THR 311 N 1.36 0.67 -3.95 3.92 -1.32 0.85 -1.93 115.64 115.25 1cr1 s THR 311 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1cr1 s THR 311 Cb -0.16 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1cr1 s THR 311 CO -0.04 -0.21 0.00 -1.54 -2.21 0.00 0.00 174.62 170.63 1cr1 n SER 312 N -0.39 0.00 -4.79 8.08 3.41 -1.25 -2.26 113.62 116.42 1cr1 n SER 312 Ca -0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.26 1cr1 n SER 312 Cb 0.65 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.65 1cr1 n SER 312 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cr1 s GLY 313 N 0.00 1.86 0.33 5.00 0.00 -1.26 -2.67 107.32 110.57 1cr1 s GLY 313 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 1cr1 s GLY 313 CO 0.00 0.62 1.52 -1.26 0.00 0.00 0.00 173.10 173.98 1cr1 n SER 314 N -2.88 3.68 -0.03 1.64 2.88 -1.26 -1.67 113.62 115.98 1cr1 n SER 314 Ca 0.09 1.18 -0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1cr1 n SER 314 Cb 0.53 -1.59 -0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1cr1 n SER 314 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cr1 n GLY 315 N 1.41 0.31 0.05 0.46 0.00 -1.26 -4.88 105.19 101.27 1cr1 n GLY 315 Ca 0.06 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1cr1 n GLY 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cr1 n MET 316 N -1.21 0.65 0.00 1.61 2.00 -0.67 -4.91 117.12 114.58 1cr1 n MET 316 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1cr1 n MET 316 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1cr1 n MET 316 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cr1 n GLY 317 N 1.23 1.26 0.41 3.03 0.00 -1.26 -4.88 105.19 104.98 1cr1 n GLY 317 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1cr1 n GLY 317 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cr1 h LYS 318 N 0.05 -0.89 -0.54 1.61 3.64 -1.91 -2.43 116.57 116.09 1cr1 h LYS 318 Ca 0.00 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1cr1 h LYS 318 Cb 0.00 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1cr1 h LYS 318 CO 0.00 -0.59 0.35 0.77 -2.27 0.00 0.00 179.45 177.71 1cr1 h SER 319 N -0.92 0.60 0.14 4.20 0.02 -1.97 -1.57 113.55 114.05 1cr1 h SER 319 Ca -0.07 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1cr1 h SER 319 Cb 0.75 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1cr1 h SER 319 CO 0.07 0.43 -0.31 0.74 -1.14 0.00 0.00 176.83 176.62 1cr1 h THR 320 N 0.72 0.33 -0.41 -2.27 2.02 -1.95 0.50 112.91 111.84 1cr1 h THR 320 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.47 1cr1 h THR 320 Cb -0.06 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 66.60 1cr1 h THR 320 CO -0.06 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.86 1cr1 h PHE 321 N -0.55 -0.28 -0.35 3.16 3.04 -1.21 0.19 116.94 120.93 1cr1 h PHE 321 Ca 0.03 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 1cr1 h PHE 321 Cb 0.57 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1cr1 h PHE 321 CO -0.27 -0.20 0.03 0.28 -2.02 0.00 0.00 178.31 176.13 1cr1 h VAL 322 N -0.03 1.25 -0.85 1.41 2.07 -0.92 -2.45 116.25 116.72 1cr1 h VAL 322 Ca 0.20 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1cr1 h VAL 322 Cb 0.34 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1cr1 h VAL 322 CO -0.44 0.30 0.56 0.03 0.02 0.00 0.00 177.57 178.03 1cr1 h ARG 323 N 0.42 0.96 -0.50 1.57 3.08 0.77 0.36 114.38 121.04 1cr1 h ARG 323 Ca 0.10 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1cr1 h ARG 323 Cb 0.40 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1cr1 h ARG 323 CO 0.01 0.63 0.15 1.96 -1.07 0.00 0.00 179.97 181.65 1cr1 h GLN 324 N 0.98 0.78 -0.68 0.04 4.20 -0.46 -0.17 115.11 119.81 1cr1 h GLN 324 Ca 0.36 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1cr1 h GLN 324 Cb 0.16 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1cr1 h GLN 324 CO -0.12 0.74 0.17 1.96 -0.67 0.00 0.00 178.83 180.90 1cr1 h GLN 325 N 0.68 1.09 -0.04 1.46 1.08 -0.77 -2.38 115.11 116.23 1cr1 h GLN 325 Ca 0.16 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1cr1 h GLN 325 Cb 0.29 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1cr1 h GLN 325 CO -0.00 0.97 0.02 0.00 -0.95 0.00 0.00 178.83 178.87 1cr1 h ALA 326 N 1.07 0.04 -0.17 3.87 0.00 -0.66 -0.58 119.26 122.85 1cr1 h ALA 326 Ca 0.21 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1cr1 h ALA 326 Cb 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1cr1 h ALA 326 CO 0.00 -0.46 -0.15 1.25 0.00 0.00 0.00 179.25 179.89 1cr1 h LEU 327 N 0.05 -0.49 -0.25 0.00 5.85 -0.83 -0.67 115.31 118.96 1cr1 h LEU 327 Ca 0.01 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1cr1 h LEU 327 Cb -0.00 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1cr1 h LEU 327 CO -0.00 -0.20 0.06 1.56 -0.34 0.00 0.00 178.44 179.52 1cr1 h GLN 328 N -0.17 0.41 0.12 1.25 1.08 -1.33 0.16 115.11 116.62 1cr1 h GLN 328 Ca 0.11 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1cr1 h GLN 328 Cb 0.33 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1cr1 h GLN 328 CO -0.27 0.50 -0.19 -1.49 -0.95 0.00 0.00 178.83 176.44 1cr1 h TRP 329 N 0.24 -0.49 0.00 2.96 6.55 -0.84 0.71 115.95 125.08 1cr1 h TRP 329 Ca 0.08 0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.82 1cr1 h TRP 329 Cb 0.28 0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.76 1cr1 h TRP 329 CO 0.01 -0.28 -0.54 0.78 -1.05 0.00 0.00 178.44 177.37 1cr1 h GLY 330 N -0.37 0.00 0.00 1.49 0.00 -1.15 -1.05 103.07 102.00 1cr1 h GLY 330 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1cr1 h GLY 330 CO -0.09 0.00 -0.94 -0.84 0.00 0.00 0.00 176.54 174.67 1cr1 h THR 331 N 0.00 0.59 0.06 4.70 2.02 -0.44 -3.36 112.91 116.49 1cr1 h THR 331 Ca -0.01 -1.74 -0.38 0.00 0.77 0.00 0.00 66.41 65.06 1cr1 h THR 331 Cb 1.15 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 1cr1 h THR 331 CO 0.07 0.20 -2.25 0.00 0.37 0.00 0.00 175.52 173.92 1cr1 n ALA 332 N -3.46 1.19 1.66 6.16 0.00 0.24 -4.29 120.51 122.01 1cr1 n ALA 332 Ca -0.22 -0.87 0.15 0.00 0.00 0.00 0.00 53.44 52.50 1cr1 n ALA 332 Cb 0.51 -0.38 0.83 0.00 0.00 0.00 0.00 19.45 20.42 1cr1 n ALA 332 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cr1 n MET 333 N -3.34 0.66 -3.61 0.00 2.00 -0.70 -4.91 117.12 107.23 1cr1 n MET 333 Ca -0.39 -0.01 -0.24 0.00 0.00 0.00 0.00 57.70 57.07 1cr1 n MET 333 Cb 1.02 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 32.82 1cr1 n MET 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cr1 n GLY 334 N 1.17 -0.55 3.84 3.03 0.00 -0.98 -4.96 105.19 106.75 1cr1 n GLY 334 Ca 0.18 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 1cr1 n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr1 s LYS 335 N -6.32 2.95 -0.27 1.61 -0.14 -0.43 -4.99 119.74 112.14 1cr1 s LYS 335 Ca 0.59 -1.05 -0.13 0.00 -1.36 0.00 0.00 55.97 54.02 1cr1 s LYS 335 Cb -0.26 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 1cr1 s LYS 335 CO 0.73 0.36 0.28 0.15 -0.76 0.00 0.00 175.35 176.11 1cr1 s LYS 336 N -3.88 4.00 -0.19 1.68 1.02 -1.26 -3.88 119.74 117.22 1cr1 s LYS 336 Ca 0.34 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 56.18 1cr1 s LYS 336 Cb -0.08 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1cr1 s LYS 336 CO 0.26 -0.20 -0.11 0.08 -0.92 0.00 0.00 175.35 174.45 1cr1 s VAL 337 N 1.84 2.90 -0.12 3.17 1.01 0.17 0.70 120.40 130.06 1cr1 s VAL 337 Ca 0.11 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1cr1 s VAL 337 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1cr1 s VAL 337 CO 0.10 0.48 0.19 -0.83 0.00 0.00 0.00 175.10 175.04 1cr1 s GLY 338 N 1.19 2.19 -0.20 4.51 0.00 0.05 -0.44 107.32 114.62 1cr1 s GLY 338 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1cr1 s GLY 338 CO -0.04 -0.17 -0.07 1.08 0.00 0.00 0.00 173.10 173.90 1cr1 s LEU 339 N -0.73 2.12 -0.35 0.66 1.02 0.19 -1.49 118.68 120.10 1cr1 s LEU 339 Ca 0.15 -0.90 -0.11 0.00 0.02 0.00 0.00 54.13 53.30 1cr1 s LEU 339 Cb -0.13 -1.09 0.01 0.00 0.02 0.00 0.00 46.19 45.00 1cr1 s LEU 339 CO 0.04 -0.19 0.19 0.00 0.02 0.00 0.00 176.35 176.42 1cr1 s ALA 340 N 1.49 3.29 -0.29 4.21 0.00 0.03 0.02 121.76 130.50 1cr1 s ALA 340 Ca -0.02 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1cr1 s ALA 340 Cb -0.17 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1cr1 s ALA 340 CO -0.07 -1.20 0.19 -1.64 0.00 0.00 0.00 175.76 173.04 1cr1 s MET 341 N 1.58 3.85 -0.04 0.00 1.00 0.60 -1.00 119.30 125.30 1cr1 s MET 341 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 55.69 55.30 1cr1 s MET 341 Cb -0.18 -3.67 -0.28 0.00 0.00 0.00 0.00 34.83 30.70 1cr1 s MET 341 CO 0.07 -0.23 0.68 -0.07 0.00 0.00 0.00 175.02 175.47 1cr1 h LEU 342 N 8.39 0.40 0.00 -0.03 -0.00 0.85 -3.33 115.31 121.59 1cr1 h LEU 342 Ca -0.34 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 56.87 1cr1 h LEU 342 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1cr1 h LEU 342 CO 0.57 1.57 -0.31 -0.08 -0.00 0.00 0.00 178.44 180.19 1cr1 h GLU 343 N 0.07 0.00 -6.72 1.13 4.57 -1.88 -3.38 114.58 108.37 1cr1 h GLU 343 Ca -0.31 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.43 1cr1 h GLU 343 Cb 2.04 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 30.67 1cr1 h GLU 343 CO 0.14 0.00 -0.10 -1.83 -1.18 0.00 0.00 179.01 176.04 1cr1 s GLU 344 N -1.82 2.51 0.63 1.92 -1.05 -1.26 -5.05 118.70 114.58 1cr1 s GLU 344 Ca -0.09 -1.07 -0.07 0.00 -0.15 0.00 0.00 54.97 53.60 1cr1 s GLU 344 Cb 0.01 -2.58 0.02 0.00 -0.44 0.00 0.00 34.13 31.15 1cr1 s GLU 344 CO 0.13 -0.67 0.95 -1.54 0.95 0.00 0.00 175.26 175.08 1cr1 s SER 345 N -4.46 5.36 0.17 0.83 1.04 -1.26 -4.73 113.70 110.65 1cr1 s SER 345 Ca 0.58 0.68 -0.10 0.00 0.48 0.00 0.00 55.95 57.59 1cr1 s SER 345 Cb -0.09 -1.56 0.06 0.00 0.10 0.00 0.00 66.02 64.53 1cr1 s SER 345 CO 0.37 -1.24 1.64 0.58 0.98 0.00 0.00 173.24 175.58 1cr1 h VAL 346 N -0.33 1.26 -0.45 5.02 2.07 -1.96 -2.12 116.25 119.75 1cr1 h VAL 346 Ca -0.45 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1cr1 h VAL 346 Cb 1.27 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1cr1 h VAL 346 CO 0.61 0.40 0.28 -0.33 0.02 0.00 0.00 177.57 178.55 1cr1 h GLU 347 N 0.93 0.55 0.20 1.57 3.07 -1.98 0.47 114.58 119.39 1cr1 h GLU 347 Ca 0.17 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1cr1 h GLU 347 Cb 0.52 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1cr1 h GLU 347 CO 0.03 0.36 -0.23 0.93 -1.40 0.00 0.00 179.01 178.70 1cr1 h GLU 348 N 0.57 -0.46 -0.51 2.33 5.08 -1.93 0.26 114.58 119.92 1cr1 h GLU 348 Ca 0.17 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1cr1 h GLU 348 Cb -0.03 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1cr1 h GLU 348 CO -0.06 -0.31 0.24 1.15 -1.00 0.00 0.00 179.01 179.03 1cr1 h THR 349 N -0.48 0.92 -0.56 1.13 2.02 -0.96 -1.30 112.91 113.68 1cr1 h THR 349 Ca 0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1cr1 h THR 349 Cb 0.46 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1cr1 h THR 349 CO -0.07 0.08 0.31 0.00 0.37 0.00 0.00 175.52 176.20 1cr1 h ALA 350 N 1.29 0.72 -0.64 6.16 0.00 0.33 -1.10 119.26 126.02 1cr1 h ALA 350 Ca 0.23 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1cr1 h ALA 350 Cb 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1cr1 h ALA 350 CO -0.18 0.24 0.36 1.49 0.00 0.00 0.00 179.25 181.16 1cr1 h GLU 351 N 0.75 0.67 -0.14 0.00 4.81 0.06 -0.77 114.58 119.96 1cr1 h GLU 351 Ca 0.20 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1cr1 h GLU 351 Cb 0.05 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1cr1 h GLU 351 CO -0.03 0.44 0.07 0.22 -0.73 0.00 0.00 179.01 178.98 1cr1 h ASP 352 N 0.69 0.18 -0.53 1.04 -0.00 -0.73 -2.06 116.42 115.01 1cr1 h ASP 352 Ca 0.27 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1cr1 h ASP 352 Cb 0.12 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.38 1cr1 h ASP 352 CO -0.15 0.24 0.21 -0.07 -0.00 0.00 0.00 179.24 179.47 1cr1 h LEU 353 N 0.11 0.74 -0.31 2.28 3.38 -0.88 -1.08 115.31 119.54 1cr1 h LEU 353 Ca 0.05 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1cr1 h LEU 353 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1cr1 h LEU 353 CO -0.01 0.70 0.20 0.40 0.09 0.00 0.00 178.44 179.83 1cr1 h ILE 354 N 0.73 1.07 0.18 1.22 2.04 -1.10 0.40 117.51 122.05 1cr1 h ILE 354 Ca 0.18 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1cr1 h ILE 354 Cb 0.20 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1cr1 h ILE 354 CO -0.01 0.07 -0.09 1.23 0.00 0.00 0.00 178.15 179.35 1cr1 h GLY 355 N 0.41 -0.26 0.18 5.37 0.00 -1.28 -0.56 103.07 106.93 1cr1 h GLY 355 Ca 0.12 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1cr1 h GLY 355 CO -0.03 -0.09 -0.22 -2.00 0.00 0.00 0.00 176.54 174.19 1cr1 h LEU 356 N -0.36 -0.72 -1.76 3.11 5.85 -0.99 0.58 115.31 121.03 1cr1 h LEU 356 Ca -0.03 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1cr1 h LEU 356 Cb 0.28 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1cr1 h LEU 356 CO 0.04 -0.26 0.25 -0.74 -0.34 0.00 0.00 178.44 177.39 1cr1 h HIS 357 N -0.23 0.30 -0.50 1.25 2.76 -0.03 -1.44 115.15 117.27 1cr1 h HIS 357 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1cr1 h HIS 357 Cb 0.44 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1cr1 h HIS 357 CO -0.38 0.17 0.00 0.09 -1.30 0.00 0.00 177.93 176.51 1cr1 n ASN 358 N -4.48 4.67 -3.59 3.26 4.13 0.28 -4.96 115.26 114.57 1cr1 n ASN 358 Ca 0.04 -2.70 -0.26 0.00 1.68 0.00 0.00 54.58 53.34 1cr1 n ASN 358 Cb 0.22 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 1cr1 n ASN 358 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1cr1 n ARG 359 N 0.50 -3.08 -4.13 3.52 1.74 0.18 -4.96 116.66 110.44 1cr1 n ARG 359 Ca 0.24 0.39 -0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1cr1 n ARG 359 Cb 0.94 -5.07 -0.11 0.00 -1.02 0.00 0.00 32.46 27.20 1cr1 n ARG 359 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1cr1 s VAL 360 N -2.96 0.75 -0.84 1.55 -7.23 0.19 -4.35 120.40 107.51 1cr1 s VAL 360 Ca 0.48 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.10 1cr1 s VAL 360 Cb -0.26 -1.11 0.22 0.00 0.56 0.00 0.00 36.38 35.79 1cr1 s VAL 360 CO 0.59 -0.53 0.76 -0.13 -0.31 0.00 0.00 175.10 175.49 1cr1 s ARG 361 N -2.44 3.48 0.27 4.82 0.52 -1.26 -3.70 118.95 120.63 1cr1 s ARG 361 Ca 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 55.73 52.56 1cr1 s ARG 361 Cb -0.05 -4.29 0.53 0.00 0.52 0.00 0.00 34.95 31.67 1cr1 s ARG 361 CO -0.01 -1.26 1.78 -0.07 0.02 0.00 0.00 175.30 175.76 1cr1 h LEU 362 N 7.35 0.61 -2.00 2.53 3.38 -1.91 -1.96 115.31 123.31 1cr1 h LEU 362 Ca 0.10 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1cr1 h LEU 362 Cb 0.98 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1cr1 h LEU 362 CO 0.79 0.27 -0.10 -0.09 0.09 0.00 0.00 178.44 179.40 1cr1 h ARG 363 N 0.69 0.00 0.00 1.13 2.43 -1.91 -2.88 114.38 113.84 1cr1 h ARG 363 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1cr1 h ARG 363 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1cr1 h ARG 363 CO -0.34 0.10 -0.76 1.04 -1.51 0.00 0.00 179.97 178.50 1cr1 n GLN 364 N -3.69 0.15 -4.02 0.20 1.13 -0.74 -4.78 117.38 105.63 1cr1 n GLN 364 Ca -0.02 0.01 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 1cr1 n GLN 364 Cb 0.21 -1.56 -0.15 0.00 0.11 0.00 0.00 30.24 28.85 1cr1 n GLN 364 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1cr1 s SER 365 N -3.52 4.74 0.47 1.08 0.15 -1.09 -4.93 113.70 110.60 1cr1 s SER 365 Ca 0.07 -2.09 0.17 0.00 0.70 0.00 0.00 55.95 54.80 1cr1 s SER 365 Cb 0.16 -1.62 1.12 0.00 -1.71 0.00 0.00 66.02 63.97 1cr1 s SER 365 CO 0.76 -0.36 2.03 0.44 1.20 0.00 0.00 173.24 177.30 1cr1 h ASP 366 N 7.63 0.00 0.26 5.45 3.32 -1.86 -2.31 116.42 128.91 1cr1 h ASP 366 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1cr1 h ASP 366 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1cr1 h ASP 366 CO 0.51 0.15 -0.12 -1.28 -1.72 0.00 0.00 179.24 176.78 1cr1 h SER 367 N 0.00 -0.29 -0.42 6.45 0.87 -1.93 -2.89 113.55 115.34 1cr1 h SER 367 Ca -0.00 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.37 1cr1 h SER 367 Cb 0.28 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1cr1 h SER 367 CO 0.02 0.13 0.16 0.25 -0.53 0.00 0.00 176.83 176.87 1cr1 h LEU 368 N -0.79 0.19 -0.54 2.23 5.85 -1.86 0.32 115.31 120.71 1cr1 h LEU 368 Ca -0.04 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1cr1 h LEU 368 Cb 0.51 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1cr1 h LEU 368 CO 0.06 0.15 0.15 0.11 -0.34 0.00 0.00 178.44 178.57 1cr1 h LYS 369 N 0.34 0.30 -0.10 1.25 1.57 -1.50 0.29 116.57 118.72 1cr1 h LYS 369 Ca 0.19 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1cr1 h LYS 369 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1cr1 h LYS 369 CO -0.18 0.20 -0.07 0.00 -0.57 0.00 0.00 179.45 178.82 1cr1 h ARG 370 N 0.30 0.22 -0.28 3.15 2.47 -1.18 -3.01 114.38 116.05 1cr1 h ARG 370 Ca 0.27 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1cr1 h ARG 370 Cb 0.35 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1cr1 h ARG 370 CO -0.31 0.61 0.16 1.49 0.56 0.00 0.00 179.97 182.48 1cr1 h GLU 371 N -0.17 0.32 -0.30 0.04 4.81 0.00 -3.02 114.58 116.25 1cr1 h GLU 371 Ca 0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1cr1 h GLU 371 Cb 0.56 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1cr1 h GLU 371 CO 0.02 0.21 0.10 0.97 -0.73 0.00 0.00 179.01 179.58 1cr1 h ILE 372 N 0.33 1.13 -0.00 2.32 2.10 -0.49 0.18 117.51 123.07 1cr1 h ILE 372 Ca 0.11 -0.42 -0.00 0.00 1.08 0.00 0.00 64.86 65.63 1cr1 h ILE 372 Cb 0.01 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1cr1 h ILE 372 CO -0.06 0.16 -0.01 0.40 -1.08 0.00 0.00 178.15 177.56 1cr1 h ILE 373 N 0.42 1.45 -0.02 2.19 2.04 -1.40 -0.83 117.51 121.36 1cr1 h ILE 373 Ca 0.11 -1.34 -0.15 0.00 1.00 0.00 0.00 64.86 64.48 1cr1 h ILE 373 Cb 0.12 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1cr1 h ILE 373 CO -0.01 0.35 -0.66 1.05 0.00 0.00 0.00 178.15 178.88 1cr1 h GLU 374 N -0.55 0.11 -0.77 2.37 4.11 -1.54 -3.10 114.58 115.22 1cr1 h GLU 374 Ca 0.00 -0.09 0.06 0.00 0.07 0.00 0.00 59.36 59.41 1cr1 h GLU 374 Cb 0.58 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1cr1 h GLU 374 CO 0.00 0.73 0.50 -0.97 0.07 0.00 0.00 179.01 179.35 1cr1 h ASN 375 N 0.08 0.73 0.00 3.06 -0.00 -0.99 -3.46 115.58 114.99 1cr1 h ASN 375 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1cr1 h ASN 375 Cb 1.18 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.35 1cr1 h ASN 375 CO 0.09 0.47 0.00 0.61 -0.00 0.00 0.00 177.43 178.61 1cr1 n GLY 376 N -1.43 0.29 0.22 1.57 0.00 -1.01 -4.94 105.19 99.88 1cr1 n GLY 376 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1cr1 n GLY 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cr1 h LYS 377 N 4.24 0.00 0.61 1.61 1.57 -1.70 -2.56 116.57 120.34 1cr1 h LYS 377 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1cr1 h LYS 377 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1cr1 h LYS 377 CO 0.00 0.26 -0.33 0.35 -0.57 0.00 0.00 179.45 179.15 1cr1 h PHE 378 N 0.00 -0.88 -0.73 -1.35 3.57 -1.46 0.26 116.94 116.35 1cr1 h PHE 378 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1cr1 h PHE 378 Cb 0.55 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.49 1cr1 h PHE 378 CO 0.00 -0.51 0.26 -0.44 -2.23 0.00 0.00 178.31 175.38 1cr1 h ASP 379 N -0.87 0.20 -0.75 0.41 3.32 -1.82 0.69 116.42 117.60 1cr1 h ASP 379 Ca -0.08 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1cr1 h ASP 379 Cb 0.68 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1cr1 h ASP 379 CO 0.11 0.07 0.38 -0.61 -1.72 0.00 0.00 179.24 177.47 1cr1 h GLN 380 N 0.39 1.07 -0.17 3.56 4.15 -1.29 -1.79 115.11 121.04 1cr1 h GLN 380 Ca 0.40 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 1cr1 h GLN 380 Cb 0.62 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1cr1 h GLN 380 CO -0.42 0.81 -0.27 -1.49 -1.93 0.00 0.00 178.83 175.53 1cr1 h TRP 381 N 1.07 0.59 -0.14 3.99 4.06 0.17 -2.08 115.95 123.62 1cr1 h TRP 381 Ca 0.27 -0.20 0.04 0.00 2.06 0.00 0.00 58.89 61.06 1cr1 h TRP 381 Cb 0.08 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 1cr1 h TRP 381 CO 0.01 0.91 -0.18 0.35 -3.56 0.00 0.00 178.44 175.97 1cr1 h PHE 382 N 0.11 -0.45 -0.33 0.49 3.57 0.65 -2.73 116.94 118.26 1cr1 h PHE 382 Ca 0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1cr1 h PHE 382 Cb 0.85 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1cr1 h PHE 382 CO 0.09 -0.25 -0.28 -0.44 -2.23 0.00 0.00 178.31 175.20 1cr1 h ASP 383 N -0.21 0.82 0.09 0.41 3.45 -1.39 0.16 116.42 119.73 1cr1 h ASP 383 Ca 0.10 -0.46 0.00 0.00 0.43 0.00 0.00 57.03 57.10 1cr1 h ASP 383 Cb 0.36 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1cr1 h ASP 383 CO -0.27 1.10 0.00 1.21 -1.57 0.00 0.00 179.24 179.71 1cr1 n GLU 384 N -4.23 0.06 0.01 3.56 4.07 -0.78 -0.19 120.64 123.15 1cr1 n GLU 384 Ca -0.03 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1cr1 n GLU 384 Cb 0.47 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 1cr1 n GLU 384 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1cr1 n LEU 385 N -1.29 0.25 -0.83 4.31 7.94 -1.04 -4.83 117.00 121.50 1cr1 n LEU 385 Ca 0.02 0.03 0.10 0.00 -1.11 0.00 0.00 56.01 55.06 1cr1 n LEU 385 Cb 0.04 -0.08 0.09 0.00 0.53 0.00 0.00 43.42 44.00 1cr1 n LEU 385 CO 0.04 -0.17 0.58 0.49 -1.11 0.00 0.00 177.39 177.21 1cr1 n PHE 386 N -3.11 0.03 -0.33 1.96 3.72 0.53 -4.50 117.46 115.76 1cr1 n PHE 386 Ca 0.00 -0.02 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1cr1 n PHE 386 Cb 0.39 -0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.11 1cr1 n PHE 386 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1cr1 h GLY 387 N 4.01 1.43 -0.89 1.37 0.00 -0.62 -3.42 103.07 104.93 1cr1 h GLY 387 Ca 0.00 -0.39 -0.46 0.00 0.00 0.00 0.00 47.33 46.48 1cr1 h GLY 387 CO 0.00 0.21 0.36 0.54 0.00 0.00 0.00 176.54 177.65 1cr1 s ASN 388 N -5.72 3.79 -0.42 0.19 2.20 -1.26 -4.99 114.94 108.72 1cr1 s ASN 388 Ca -0.12 0.33 0.03 0.00 -0.94 0.00 0.00 52.86 52.15 1cr1 s ASN 388 Cb 0.20 -0.59 0.55 0.00 -2.00 0.00 0.00 41.25 39.42 1cr1 s ASN 388 CO 0.80 -2.30 1.84 0.47 -2.94 0.00 0.00 177.10 174.97 1cr1 n ASP 389 N -3.45 4.29 0.01 3.54 8.00 -1.26 -4.62 116.55 123.07 1cr1 n ASP 389 Ca 0.13 -3.44 -0.20 0.00 0.71 0.00 0.00 54.79 51.99 1cr1 n ASP 389 Cb 0.60 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 1cr1 n ASP 389 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cr1 h THR 390 N 0.89 1.41 -2.97 -3.53 1.03 -1.89 -3.47 112.91 104.38 1cr1 h THR 390 Ca 0.55 -2.46 -0.65 0.00 -0.01 0.00 0.00 66.41 63.84 1cr1 h THR 390 Cb 2.33 3.07 -0.11 0.00 -1.07 0.00 0.00 68.15 72.37 1cr1 h THR 390 CO 1.04 0.68 -0.52 -0.36 -0.01 0.00 0.00 175.52 176.35 1cr1 s PHE 391 N -2.41 3.44 -0.35 0.00 0.40 -1.26 -0.66 117.98 117.14 1cr1 s PHE 391 Ca -0.17 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1cr1 s PHE 391 Cb 0.01 -1.98 0.11 0.00 0.51 0.00 0.00 43.02 41.67 1cr1 s PHE 391 CO 0.78 0.52 0.12 -1.01 0.70 0.00 0.00 175.22 176.33 1cr1 s HIS 392 N -0.52 2.51 -0.15 0.36 3.76 0.42 -4.97 115.29 116.70 1cr1 s HIS 392 Ca 0.11 -2.35 -0.17 0.00 -0.15 0.00 0.00 55.06 52.51 1cr1 s HIS 392 Cb -0.12 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 1cr1 s HIS 392 CO 0.02 -0.88 0.42 -0.51 -0.85 0.00 0.00 174.74 172.95 1cr1 s LEU 393 N 1.05 4.23 -0.04 0.89 1.43 -1.26 0.57 118.68 125.56 1cr1 s LEU 393 Ca 0.12 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1cr1 s LEU 393 Cb -0.20 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1cr1 s LEU 393 CO -0.14 -0.01 -0.07 -0.31 0.23 0.00 0.00 176.35 176.05 1cr1 s TYR 394 N 0.81 0.92 0.00 0.29 2.02 0.10 -4.94 117.35 116.55 1cr1 s TYR 394 Ca 0.22 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1cr1 s TYR 394 Cb -0.15 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 1cr1 s TYR 394 CO 0.08 -0.17 0.00 -0.40 -1.57 0.00 0.00 175.55 173.49 1cr1 n ASP 395 N 3.73 1.56 -3.11 2.29 3.85 -1.26 -0.29 116.55 123.32 1cr1 n ASP 395 Ca -0.23 -0.42 -0.02 0.00 -0.71 0.00 0.00 54.79 53.41 1cr1 n ASP 395 Cb 0.52 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1cr1 n ASP 395 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1cr1 n SER 396 N -0.61 -7.58 -0.38 -1.12 7.64 -1.25 -4.90 113.62 105.42 1cr1 n SER 396 Ca 0.00 -0.16 0.02 0.00 1.01 0.00 0.00 58.87 59.74 1cr1 n SER 396 Cb 0.00 -5.11 0.02 0.00 -1.01 0.00 0.00 64.21 58.12 1cr1 n SER 396 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1cr1 n PHE 397 N -1.90 0.00 0.01 1.43 3.72 -1.26 -4.85 117.46 114.60 1cr1 n PHE 397 Ca -0.02 -0.18 0.22 0.00 -0.05 0.00 0.00 57.45 57.42 1cr1 n PHE 397 Cb 0.52 -0.06 0.64 0.00 -0.94 0.00 0.00 39.48 39.63 1cr1 n PHE 397 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cr1 h ALA 398 N 0.00 2.34 -2.75 4.37 0.00 -1.89 -3.40 119.26 117.93 1cr1 h ALA 398 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.38 1cr1 h ALA 398 Cb 1.28 0.04 0.05 0.00 0.00 0.00 0.00 17.79 19.16 1cr1 h ALA 398 CO 0.00 -1.00 0.51 -2.00 0.00 0.00 0.00 179.25 176.76 1cr1 s GLU 399 N -4.51 4.20 -0.15 0.00 2.12 -1.26 -4.94 118.70 114.15 1cr1 s GLU 399 Ca -0.04 1.87 0.02 0.00 0.36 0.00 0.00 54.97 57.18 1cr1 s GLU 399 Cb 0.14 -2.81 0.25 0.00 0.26 0.00 0.00 34.13 31.97 1cr1 s GLU 399 CO 0.50 -0.21 1.28 0.00 -0.54 0.00 0.00 175.26 176.29 1cr1 n ALA 400 N 0.35 3.54 -2.61 6.30 0.00 -1.26 -4.87 120.51 121.95 1cr1 n ALA 400 Ca 0.03 -1.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.09 1cr1 n ALA 400 Cb 0.46 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 1cr1 n ALA 400 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cr1 s GLU 401 N -1.25 3.89 0.05 0.00 2.12 -1.26 -5.01 118.70 117.25 1cr1 s GLU 401 Ca 0.20 -0.36 -0.32 0.00 0.36 0.00 0.00 54.97 54.85 1cr1 s GLU 401 Cb 0.17 -3.65 -0.18 0.00 0.26 0.00 0.00 34.13 30.72 1cr1 s GLU 401 CO 0.04 -0.20 1.48 1.15 -0.54 0.00 0.00 175.26 177.19 1cr1 h THR 402 N 5.39 0.22 -1.00 -1.70 2.02 -1.96 -2.71 112.91 113.18 1cr1 h THR 402 Ca -0.35 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 66.85 1cr1 h THR 402 Cb 1.19 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 1cr1 h THR 402 CO 0.56 0.01 0.62 0.44 0.37 0.00 0.00 175.52 177.52 1cr1 h ASP 403 N -1.08 0.90 -0.88 4.18 3.45 -1.98 0.77 116.42 121.79 1cr1 h ASP 403 Ca -0.10 0.05 0.01 0.00 0.43 0.00 0.00 57.03 57.42 1cr1 h ASP 403 Cb 0.78 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.38 1cr1 h ASP 403 CO 0.17 0.46 0.58 -0.09 -1.57 0.00 0.00 179.24 178.79 1cr1 h ARG 404 N 0.96 1.16 -0.05 3.56 9.65 -1.99 0.55 114.38 128.22 1cr1 h ARG 404 Ca 0.50 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.29 1cr1 h ARG 404 Cb 0.53 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1cr1 h ARG 404 CO -0.28 0.77 -0.06 1.25 2.80 0.00 0.00 179.97 184.45 1cr1 h LEU 405 N 1.19 0.14 -1.22 3.80 5.85 0.26 -3.01 115.31 122.33 1cr1 h LEU 405 Ca 0.32 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1cr1 h LEU 405 Cb -0.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1cr1 h LEU 405 CO -0.07 0.62 0.31 -0.07 -0.34 0.00 0.00 178.44 178.89 1cr1 h LEU 406 N -0.33 0.76 -0.74 2.25 -0.00 0.65 -1.41 115.31 116.48 1cr1 h LEU 406 Ca 0.01 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.76 1cr1 h LEU 406 Cb 0.59 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 1cr1 h LEU 406 CO 0.01 0.63 0.21 0.00 -0.00 0.00 0.00 178.44 179.30 1cr1 h ALA 407 N 1.49 0.97 -0.32 1.53 0.00 -0.93 0.44 119.26 122.43 1cr1 h ALA 407 Ca 0.21 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1cr1 h ALA 407 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cr1 h ALA 407 CO -0.03 0.67 -0.20 0.87 0.00 0.00 0.00 179.25 180.57 1cr1 h LYS 408 N 1.11 0.70 -0.13 0.00 1.79 -1.29 -2.29 116.57 116.45 1cr1 h LYS 408 Ca 0.24 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1cr1 h LYS 408 Cb 0.34 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1cr1 h LYS 408 CO -0.00 0.93 0.09 -0.07 -1.08 0.00 0.00 179.45 179.31 1cr1 h LEU 409 N 0.47 0.15 -1.59 2.94 3.38 -1.05 -0.55 115.31 119.06 1cr1 h LEU 409 Ca 0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1cr1 h LEU 409 Cb 0.74 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1cr1 h LEU 409 CO 0.06 0.11 0.36 0.00 0.09 0.00 0.00 178.44 179.06 1cr1 h ALA 410 N 1.05 1.86 -0.23 1.53 0.00 -0.87 -1.41 119.26 121.19 1cr1 h ALA 410 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1cr1 h ALA 410 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cr1 h ALA 410 CO -0.01 0.05 -0.49 -0.92 0.00 0.00 0.00 179.25 177.87 1cr1 h TYR 411 N 0.51 0.94 -0.70 0.00 3.20 -0.79 -1.06 116.97 119.07 1cr1 h TYR 411 Ca 0.24 -0.35 0.03 0.00 3.14 0.00 0.00 58.73 61.79 1cr1 h TYR 411 Cb 0.29 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1cr1 h TYR 411 CO -0.00 1.15 0.46 0.52 -1.64 0.00 0.00 178.16 178.65 1cr1 h MET 412 N 0.47 0.85 0.32 1.82 2.86 -0.10 0.45 114.93 121.61 1cr1 h MET 412 Ca 0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1cr1 h MET 412 Cb 1.10 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1cr1 h MET 412 CO 0.11 0.56 -0.16 -0.09 1.06 0.00 0.00 176.91 178.39 1cr1 h ARG 413 N 0.87 -0.42 0.48 1.72 1.12 -1.20 -1.32 114.38 115.64 1cr1 h ARG 413 Ca 0.28 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1cr1 h ARG 413 Cb 0.02 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1cr1 h ARG 413 CO -0.07 -0.28 -0.23 0.77 -3.11 0.00 0.00 179.97 177.05 1cr1 h SER 414 N -0.81 -0.55 0.40 -3.80 0.02 -1.14 -1.61 113.55 106.06 1cr1 h SER 414 Ca -0.04 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1cr1 h SER 414 Cb 0.33 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1cr1 h SER 414 CO 0.07 -0.13 -0.19 1.23 -1.14 0.00 0.00 176.83 176.67 1cr1 h GLY 415 N -1.17 -0.56 -0.50 -3.77 0.00 -0.30 -3.28 103.07 93.49 1cr1 h GLY 415 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1cr1 h GLY 415 CO 0.11 -0.21 -0.12 1.04 0.00 0.00 0.00 176.54 177.37 1cr1 n LEU 416 N -5.27 1.61 -3.16 3.11 4.77 -0.88 -4.98 117.00 112.20 1cr1 n LEU 416 Ca -0.11 -0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 55.13 1cr1 n LEU 416 Cb 0.26 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1cr1 n LEU 416 CO 0.34 0.28 0.01 0.61 -1.33 0.00 0.00 177.39 177.30 1cr1 n GLY 417 N 1.27 -0.52 3.73 -0.72 0.00 -0.61 -4.93 105.19 103.41 1cr1 n GLY 417 Ca 0.15 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1cr1 n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr1 h ASP 419 N 5.87 0.41 -3.96 0.00 3.32 -0.08 -3.43 116.42 118.56 1cr1 h ASP 419 Ca -0.44 -0.53 -0.47 0.00 0.02 0.00 0.00 57.03 55.60 1cr1 h ASP 419 Cb 1.21 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.32 1cr1 h ASP 419 CO 0.85 1.44 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.31 1cr1 s VAL 420 N -2.62 1.02 -0.11 -1.35 1.01 -1.05 -1.49 120.40 115.81 1cr1 s VAL 420 Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1cr1 s VAL 420 Cb 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1cr1 s VAL 420 CO 0.86 0.30 -0.15 -0.63 0.00 0.00 0.00 175.10 175.49 1cr1 s ILE 421 N -0.02 1.46 -0.22 2.22 1.01 0.95 -0.77 121.20 125.83 1cr1 s ILE 421 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1cr1 s ILE 421 Cb -0.08 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1cr1 s ILE 421 CO 0.00 0.43 0.02 -0.63 0.00 0.00 0.00 174.94 174.77 1cr1 s ILE 422 N 1.02 3.99 -0.39 2.92 1.01 -0.55 -0.60 121.20 128.59 1cr1 s ILE 422 Ca -0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1cr1 s ILE 422 Cb -0.15 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1cr1 s ILE 422 CO -0.02 0.39 0.26 -0.22 0.00 0.00 0.00 174.94 175.35 1cr1 s LEU 423 N 1.34 4.93 -0.23 2.97 2.96 0.64 -0.79 118.68 130.49 1cr1 s LEU 423 Ca 0.04 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 53.00 1cr1 s LEU 423 Cb -0.15 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.51 1cr1 s LEU 423 CO 0.01 -0.42 -0.03 -0.62 -1.32 0.00 0.00 176.35 173.97 1cr1 s ASP 424 N 1.62 3.76 0.04 3.68 3.68 -0.17 -1.40 116.67 127.88 1cr1 s ASP 424 Ca 0.03 -1.17 0.00 0.00 2.13 0.00 0.00 52.55 53.55 1cr1 s ASP 424 Cb -0.19 -1.10 -0.00 0.00 -1.45 0.00 0.00 42.92 40.17 1cr1 s ASP 424 CO 0.08 -0.25 0.04 0.00 0.13 0.00 0.00 175.17 175.17 1cr1 n HIS 425 N 4.72 -0.23 -3.88 -5.34 1.44 -1.26 0.14 115.22 110.79 1cr1 n HIS 425 Ca -0.11 -0.28 -0.11 0.00 -2.01 0.00 0.00 57.72 55.21 1cr1 n HIS 425 Cb 0.44 0.04 -0.12 0.00 0.12 0.00 0.00 29.99 30.47 1cr1 n HIS 425 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1cr1 s ILE 426 N -2.25 0.04 0.13 0.61 1.01 0.92 -4.76 121.20 116.90 1cr1 s ILE 426 Ca 0.04 -0.31 0.11 0.00 0.00 0.00 0.00 60.65 60.49 1cr1 s ILE 426 Cb 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1cr1 s ILE 426 CO 0.03 -0.17 -0.27 -0.55 0.00 0.00 0.00 174.94 173.98 1cr1 s SER 427 N -0.52 3.30 0.55 3.58 0.15 -1.26 0.11 113.70 119.61 1cr1 s SER 427 Ca -0.06 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 55.66 1cr1 s SER 427 Cb -0.04 -0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.00 1cr1 s SER 427 CO 0.00 0.17 1.07 -0.63 1.20 0.00 0.00 173.24 175.05 1cr1 s ILE 428 N -1.08 3.63 0.00 6.45 1.01 -1.21 -4.88 121.20 125.12 1cr1 s ILE 428 Ca 0.14 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1cr1 s ILE 428 Cb -0.10 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1cr1 s ILE 428 CO 0.06 -0.33 0.00 -2.11 0.00 0.00 0.00 174.94 172.56 1cr1 n ARG 439 N -1.56 0.00 -0.10 2.79 0.00 -1.26 -4.99 116.66 111.54 1cr1 n ARG 439 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.83 1cr1 n ARG 439 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 32.46 32.83 1cr1 n ARG 439 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1cr1 n LYS 440 N 0.00 0.68 -0.29 2.89 2.85 -1.26 -3.43 118.16 119.60 1cr1 n LYS 440 Ca 0.00 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1cr1 n LYS 440 Cb 0.00 -1.54 -0.06 0.00 -0.65 0.00 0.00 35.03 32.78 1cr1 n LYS 440 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1cr1 h MET 441 N 0.00 -0.15 -0.04 -1.58 4.05 -1.99 2.58 114.93 117.80 1cr1 h MET 441 Ca -0.54 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 58.86 1cr1 h MET 441 Cb 2.18 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 33.01 1cr1 h MET 441 CO 0.01 -0.10 -0.10 -0.84 0.23 0.00 0.00 176.91 176.12 1cr1 h ILE 442 N -0.15 1.44 0.31 1.77 3.07 -1.95 -1.10 117.51 120.91 1cr1 h ILE 442 Ca 0.17 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 65.13 1cr1 h ILE 442 Cb 0.52 2.30 -0.03 0.00 -0.27 0.00 0.00 36.82 39.35 1cr1 h ILE 442 CO -0.80 0.40 -0.45 -0.78 -1.05 0.00 0.00 178.15 175.47 1cr1 h ASP 443 N -0.39 -1.28 -0.58 2.16 -0.00 -1.34 0.38 116.42 115.38 1cr1 h ASP 443 Ca -0.00 0.12 -0.07 0.00 -0.00 0.00 0.00 57.03 57.08 1cr1 h ASP 443 Cb 0.70 0.45 -0.03 0.00 -0.00 0.00 0.00 39.33 40.45 1cr1 h ASP 443 CO 0.02 -0.57 0.12 -1.13 -0.00 0.00 0.00 179.24 177.69 1cr1 h ASN 444 N -0.82 0.93 -0.12 2.28 -0.00 0.43 -1.69 115.58 116.60 1cr1 h ASN 444 Ca -0.02 -0.19 -0.02 0.00 -0.00 0.00 0.00 56.30 56.06 1cr1 h ASN 444 Cb 0.76 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.83 1cr1 h ASN 444 CO -0.14 0.91 -0.00 0.25 -0.00 0.00 0.00 177.43 178.45 1cr1 h LEU 445 N 0.93 0.20 -1.12 0.34 5.85 -0.98 0.13 115.31 120.67 1cr1 h LEU 445 Ca 0.19 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1cr1 h LEU 445 Cb 0.37 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1cr1 h LEU 445 CO 0.00 0.47 0.60 0.24 -0.34 0.00 0.00 178.44 179.41 1cr1 h MET 446 N -0.07 1.01 -0.05 1.25 2.86 -0.12 1.11 114.93 120.92 1cr1 h MET 446 Ca 0.03 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 1cr1 h MET 446 Cb 0.37 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1cr1 h MET 446 CO 0.01 0.67 -0.72 0.00 1.06 0.00 0.00 176.91 177.92 1cr1 h THR 447 N 1.04 1.41 -0.13 2.22 1.03 -1.05 -1.08 112.91 116.35 1cr1 h THR 447 Ca 0.40 -2.20 -0.09 0.00 -0.01 0.00 0.00 66.41 64.51 1cr1 h THR 447 Cb 0.23 2.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 1cr1 h THR 447 CO -0.16 0.65 -0.29 0.11 -0.01 0.00 0.00 175.52 175.82 1cr1 h LYS 448 N 0.19 0.42 0.13 0.00 1.57 0.79 -2.21 116.57 117.47 1cr1 h LYS 448 Ca -0.02 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1cr1 h LYS 448 Cb 1.28 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1cr1 h LYS 448 CO 0.11 0.89 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.61 1cr1 h LEU 449 N 0.01 -0.57 -1.24 2.94 3.38 0.13 -0.37 115.31 119.58 1cr1 h LEU 449 Ca 0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1cr1 h LEU 449 Cb 0.89 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1cr1 h LEU 449 CO 0.06 -0.29 0.53 0.50 0.09 0.00 0.00 178.44 179.33 1cr1 h LYS 450 N -0.40 0.95 -0.49 1.13 1.63 -1.25 -1.07 116.57 117.07 1cr1 h LYS 450 Ca 0.02 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1cr1 h LYS 450 Cb 0.41 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1cr1 h LYS 450 CO -0.10 0.63 0.15 0.78 -3.45 0.00 0.00 179.45 177.46 1cr1 h GLY 451 N 0.98 0.82 0.90 5.01 0.00 -0.78 -1.17 103.07 108.84 1cr1 h GLY 451 Ca 0.32 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1cr1 h GLY 451 CO -0.10 0.46 0.07 -2.75 0.00 0.00 0.00 176.54 174.22 1cr1 h PHE 452 N 0.66 0.56 -0.15 5.60 3.57 -0.51 -1.56 116.94 125.11 1cr1 h PHE 452 Ca 0.16 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1cr1 h PHE 452 Cb 0.27 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1cr1 h PHE 452 CO 0.01 0.59 0.03 0.00 -2.23 0.00 0.00 178.31 176.72 1cr1 h ALA 453 N 0.91 0.20 -0.66 2.41 0.00 -1.12 -1.97 119.26 119.03 1cr1 h ALA 453 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cr1 h ALA 453 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1cr1 h ALA 453 CO 0.00 -0.15 0.28 -0.22 0.00 0.00 0.00 179.25 179.16 1cr1 h LYS 454 N 0.04 0.97 0.01 0.00 3.64 -1.18 0.26 116.57 120.31 1cr1 h LYS 454 Ca 0.05 -0.17 -0.22 0.00 -1.27 0.00 0.00 60.65 59.04 1cr1 h LYS 454 Cb 0.28 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1cr1 h LYS 454 CO 0.00 0.80 -0.93 0.66 -2.27 0.00 0.00 179.45 177.71 1cr1 h SER 455 N 0.93 0.40 0.23 4.20 4.64 -1.28 -3.35 113.55 119.33 1cr1 h SER 455 Ca 0.22 -0.33 -0.35 0.00 -0.47 0.00 0.00 61.79 60.86 1cr1 h SER 455 Cb 0.18 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1cr1 h SER 455 CO -0.02 1.14 -1.80 0.71 -0.87 0.00 0.00 176.83 175.99 1cr1 h THR 456 N 0.17 0.85 0.00 2.95 1.35 -1.34 -3.49 112.91 113.41 1cr1 h THR 456 Ca -0.07 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1cr1 h THR 456 Cb 1.57 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 1cr1 h THR 456 CO 0.15 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 1cr1 n GLY 457 N 1.86 0.82 3.78 5.82 0.00 0.93 -4.95 105.19 113.45 1cr1 n GLY 457 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1cr1 n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr1 s VAL 458 N -2.08 3.01 -0.30 1.61 0.11 -1.23 -2.33 120.40 119.20 1cr1 s VAL 458 Ca 0.00 0.33 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 1cr1 s VAL 458 Cb 0.00 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1cr1 s VAL 458 CO 0.00 -0.43 0.23 -0.69 -3.33 0.00 0.00 175.10 170.88 1cr1 s VAL 459 N -3.09 5.29 -0.28 2.04 1.01 -0.56 -1.05 120.40 123.77 1cr1 s VAL 459 Ca 0.61 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1cr1 s VAL 459 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1cr1 s VAL 459 CO 0.55 0.17 0.04 -0.22 0.00 0.00 0.00 175.10 175.63 1cr1 s LEU 460 N 1.79 3.63 -0.21 3.92 2.96 -1.05 -0.04 118.68 129.69 1cr1 s LEU 460 Ca 0.08 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 1cr1 s LEU 460 Cb -0.16 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1cr1 s LEU 460 CO 0.11 -0.16 0.04 -0.69 -1.32 0.00 0.00 176.35 174.32 1cr1 s VAL 461 N 1.46 4.28 -0.08 1.68 1.01 0.23 -0.52 120.40 128.45 1cr1 s VAL 461 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1cr1 s VAL 461 Cb -0.17 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1cr1 s VAL 461 CO 0.01 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1cr1 s VAL 462 N 0.97 2.50 -0.27 2.92 1.01 0.11 -0.26 120.40 127.38 1cr1 s VAL 462 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1cr1 s VAL 462 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1cr1 s VAL 462 CO 0.02 0.56 0.18 -0.63 0.00 0.00 0.00 175.10 175.24 1cr1 s ILE 463 N -0.09 5.28 -0.02 2.22 1.01 -0.49 -1.22 121.20 127.89 1cr1 s ILE 463 Ca -0.04 0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.84 1cr1 s ILE 463 Cb -0.14 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1cr1 s ILE 463 CO 0.04 0.27 -0.23 0.00 0.00 0.00 0.00 174.94 175.02 1cr1 s HIS 465 N -0.47 3.52 -0.39 0.00 3.76 0.29 -3.87 115.29 118.13 1cr1 s HIS 465 Ca 0.07 1.10 -0.06 0.00 -0.15 0.00 0.00 55.06 56.01 1cr1 s HIS 465 Cb -0.10 -2.74 0.08 0.00 1.11 0.00 0.00 32.58 30.93 1cr1 s HIS 465 CO -0.00 0.05 0.19 -0.51 -0.85 0.00 0.00 174.74 173.63 1cr1 s LEU 466 N 0.99 4.91 -0.65 0.89 1.43 -1.09 -3.35 118.68 121.81 1cr1 s LEU 466 Ca 0.33 -1.56 0.01 0.00 -1.03 0.00 0.00 54.13 51.88 1cr1 s LEU 466 Cb -0.17 -1.90 0.39 0.00 0.03 0.00 0.00 46.19 44.54 1cr1 s LEU 466 CO 0.14 -0.48 1.62 1.17 0.23 0.00 0.00 176.35 179.04 1cr1 n LYS 467 N 4.79 3.06 -1.12 1.70 4.81 -1.26 -4.31 118.16 125.83 1cr1 n LYS 467 Ca -0.09 -3.94 0.14 0.00 -0.87 0.00 0.00 58.31 53.55 1cr1 n LYS 467 Cb 0.43 -2.26 -0.04 0.00 0.02 0.00 0.00 35.03 33.17 1cr1 n LYS 467 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1cr1 n THR 484 N -0.54 0.00 -0.08 3.15 -1.04 -1.26 -5.19 114.28 109.32 1cr1 n THR 484 Ca 0.48 0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 62.61 1cr1 n THR 484 Cb 0.46 -0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 1cr1 n THR 484 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1cr1 h ASP 485 N -1.14 0.16 0.49 8.00 3.45 -2.03 -2.81 116.42 122.54 1cr1 h ASP 485 Ca -0.03 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1cr1 h ASP 485 Cb 1.26 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1cr1 h ASP 485 CO 0.02 0.13 -0.12 -0.07 -1.57 0.00 0.00 179.24 177.62 1cr1 h LEU 486 N 0.26 0.00 -0.45 1.55 4.07 -2.01 -3.19 115.31 115.55 1cr1 h LEU 486 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1cr1 h LEU 486 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1cr1 h LEU 486 CO -0.11 0.12 0.38 0.54 -1.08 0.00 0.00 178.44 178.30 1cr1 n ARG 487 N -3.53 0.05 0.00 1.13 3.00 -1.06 -4.29 116.66 111.96 1cr1 n ARG 487 Ca -0.01 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.27 1cr1 n ARG 487 Cb 0.27 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.69 1cr1 n ARG 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1cr1 n GLY 488 N -1.25 0.48 3.82 -0.13 0.00 -1.21 -4.71 105.19 102.20 1cr1 n GLY 488 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1cr1 n GLY 488 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cr1 s SER 489 N -1.00 -0.28 0.00 1.61 0.15 -1.26 -5.02 113.70 107.89 1cr1 s SER 489 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1cr1 s SER 489 Cb 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1cr1 s SER 489 CO 0.00 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.75 1cr1 n GLY 490 N -0.45 0.00 0.34 9.45 0.00 -1.26 -0.31 105.19 112.96 1cr1 n GLY 490 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.15 1cr1 n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr1 h ALA 491 N -2.21 1.81 -0.40 4.61 0.00 -1.94 0.19 119.26 121.33 1cr1 h ALA 491 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1cr1 h ALA 491 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1cr1 h ALA 491 CO 0.00 -0.32 -0.18 -0.07 0.00 0.00 0.00 179.25 178.68 1cr1 h LEU 492 N 0.54 -0.62 0.07 0.00 3.38 -1.76 0.25 115.31 117.17 1cr1 h LEU 492 Ca 0.66 0.15 -0.19 0.00 0.09 0.00 0.00 57.88 58.59 1cr1 h LEU 492 Cb 1.29 0.34 0.02 0.00 0.09 0.00 0.00 40.66 42.40 1cr1 h LEU 492 CO -0.50 -0.21 -0.78 -0.09 0.09 0.00 0.00 178.44 176.95 1cr1 h ARG 493 N -0.11 0.40 0.78 1.13 9.65 0.71 -3.28 114.38 123.67 1cr1 h ARG 493 Ca 0.19 -0.53 -0.04 0.00 -1.10 0.00 0.00 59.98 58.51 1cr1 h ARG 493 Cb 0.40 0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1cr1 h ARG 493 CO -0.46 1.20 -0.37 0.37 2.80 0.00 0.00 179.97 183.50 1cr1 h GLN 494 N -0.14 -1.01 -0.07 0.20 4.15 -0.33 -3.33 115.11 114.58 1cr1 h GLN 494 Ca -0.12 0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 1cr1 h GLN 494 Cb 1.53 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 1cr1 h GLN 494 CO 0.15 -0.66 -0.62 -0.07 -1.93 0.00 0.00 178.83 175.69 1cr1 h LEU 495 N -1.11 0.28 -9.70 -2.39 4.07 -0.72 -3.45 115.31 102.28 1cr1 h LEU 495 Ca -0.11 -0.17 -0.52 0.00 0.08 0.00 0.00 57.88 57.16 1cr1 h LEU 495 Cb 0.82 -0.08 0.06 0.00 1.08 0.00 0.00 40.66 42.54 1cr1 h LEU 495 CO 0.18 0.83 0.92 -0.44 -1.08 0.00 0.00 178.44 178.85 1cr1 s SER 496 N -6.90 6.45 -0.02 -0.43 0.01 -1.24 -4.72 113.70 106.85 1cr1 s SER 496 Ca -0.04 2.82 -0.17 0.00 1.31 0.00 0.00 55.95 59.88 1cr1 s SER 496 Cb 0.12 -2.61 -0.33 0.00 0.21 0.00 0.00 66.02 63.41 1cr1 s SER 496 CO 0.80 -0.90 0.85 0.44 0.41 0.00 0.00 173.24 174.84 1cr1 h ASP 497 N 5.98 0.65 -3.60 2.44 3.32 -0.96 -3.46 116.42 120.79 1cr1 h ASP 497 Ca -0.45 -0.92 -0.39 0.00 0.02 0.00 0.00 57.03 55.29 1cr1 h ASP 497 Cb 1.21 -0.21 -0.32 0.00 0.22 0.00 0.00 39.33 40.22 1cr1 h ASP 497 CO 0.88 1.64 -0.77 -0.89 -1.72 0.00 0.00 179.24 178.37 1cr1 s THR 498 N -2.53 0.53 -0.15 0.35 2.01 -1.11 -1.32 115.64 113.40 1cr1 s THR 498 Ca -0.13 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1cr1 s THR 498 Cb 0.03 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1cr1 s THR 498 CO 0.88 0.20 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.19 1cr1 s ILE 499 N 0.61 1.88 -0.11 1.82 1.01 0.12 0.34 121.20 126.87 1cr1 s ILE 499 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1cr1 s ILE 499 Cb -0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1cr1 s ILE 499 CO 0.00 0.51 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 1cr1 s ILE 500 N 1.17 3.16 -0.06 2.92 1.01 0.21 -1.42 121.20 128.19 1cr1 s ILE 500 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1cr1 s ILE 500 Cb -0.14 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1cr1 s ILE 500 CO -0.08 0.54 -0.20 0.00 0.00 0.00 0.00 174.94 175.20 1cr1 s ALA 501 N 0.06 1.80 -0.14 9.38 0.00 0.27 -0.10 121.76 133.03 1cr1 s ALA 501 Ca -0.05 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1cr1 s ALA 501 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1cr1 s ALA 501 CO 0.04 0.31 0.08 -0.51 0.00 0.00 0.00 175.76 175.68 1cr1 s LEU 502 N 0.09 3.98 -0.01 0.00 1.43 -0.96 -0.51 118.68 122.71 1cr1 s LEU 502 Ca -0.07 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1cr1 s LEU 502 Cb -0.14 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1cr1 s LEU 502 CO 0.04 0.30 -0.18 -1.61 0.23 0.00 0.00 176.35 175.14 1cr1 s GLU 503 N -0.41 1.40 -0.06 1.70 2.02 0.11 -4.54 118.70 118.93 1cr1 s GLU 503 Ca 0.10 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 1cr1 s GLU 503 Cb -0.12 -1.36 0.04 0.00 0.10 0.00 0.00 34.13 32.79 1cr1 s GLU 503 CO 0.02 0.37 0.11 0.50 0.02 0.00 0.00 175.26 176.28 1cr1 s ARG 504 N -0.49 -0.00 0.00 1.61 3.52 -1.26 0.33 118.95 122.66 1cr1 s ARG 504 Ca 0.07 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 1cr1 s ARG 504 Cb -0.07 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 1cr1 s ARG 504 CO -0.00 -0.27 0.00 0.09 -0.81 0.00 0.00 175.30 174.31 1cr1 n ASN 505 N 4.94 0.00 -0.74 -2.12 5.03 -1.26 -5.09 115.26 116.02 1cr1 n ASN 505 Ca -0.12 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.40 1cr1 n ASN 505 Cb 0.50 -0.25 0.19 0.00 -1.02 0.00 0.00 39.78 39.20 1cr1 n ASN 505 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1cr1 n GLN 506 N -0.35 2.91 -1.57 3.52 6.02 -1.26 -5.26 117.38 121.41 1cr1 n GLN 506 Ca 0.00 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 1cr1 n GLN 506 Cb 0.00 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1cr1 n GLN 506 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1cr1 n LEU 513 N 0.32 -0.83 -4.30 1.08 7.94 -1.26 -5.23 117.00 114.72 1cr1 n LEU 513 Ca 0.14 1.31 -0.33 0.00 -1.11 0.00 0.00 56.01 56.02 1cr1 n LEU 513 Cb 0.55 -1.73 -0.15 0.00 0.53 0.00 0.00 43.42 42.62 1cr1 n LEU 513 CO 0.10 -0.28 -0.48 0.54 -1.11 0.00 0.00 177.39 176.16 1cr1 s VAL 514 N -0.77 2.72 -0.14 1.96 0.11 0.55 -4.62 120.40 120.21 1cr1 s VAL 514 Ca 0.00 -0.77 -0.23 0.00 -2.93 0.00 0.00 61.98 58.05 1cr1 s VAL 514 Cb 0.00 -2.13 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 1cr1 s VAL 514 CO 0.00 0.52 0.72 -0.22 -3.33 0.00 0.00 175.10 172.80 1cr1 s LEU 515 N 0.57 4.22 -0.43 2.54 2.96 0.15 -0.75 118.68 127.95 1cr1 s LEU 515 Ca -0.09 1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 54.75 1cr1 s LEU 515 Cb -0.16 -3.08 0.04 0.00 0.50 0.00 0.00 46.19 43.50 1cr1 s LEU 515 CO 0.04 -0.26 0.32 -0.69 -1.32 0.00 0.00 176.35 174.43 1cr1 s VAL 516 N 1.59 5.09 -0.17 1.68 1.01 0.47 0.08 120.40 130.16 1cr1 s VAL 516 Ca 0.35 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1cr1 s VAL 516 Cb -0.17 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1cr1 s VAL 516 CO 0.14 -0.40 -0.02 -0.60 0.00 0.00 0.00 175.10 174.22 1cr1 s ARG 517 N 1.63 3.72 -0.89 2.72 3.52 0.33 -0.31 118.95 129.68 1cr1 s ARG 517 Ca 0.04 -0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 54.99 1cr1 s ARG 517 Cb -0.21 -2.99 0.18 0.00 -1.56 0.00 0.00 34.95 30.37 1cr1 s ARG 517 CO 0.08 0.22 0.95 0.42 -0.81 0.00 0.00 175.30 176.16 1cr1 s ILE 518 N 0.44 5.19 0.31 4.11 -1.09 0.27 -0.56 121.20 129.87 1cr1 s ILE 518 Ca -0.02 -2.06 0.31 0.00 -2.23 0.00 0.00 60.65 56.65 1cr1 s ILE 518 Cb -0.14 -4.62 0.34 0.00 -1.58 0.00 0.00 42.46 36.45 1cr1 s ILE 518 CO 0.02 -1.27 2.05 -0.07 -1.23 0.00 0.00 174.94 174.44 1cr1 h LEU 519 N 9.04 0.00 -7.00 2.97 3.38 -1.47 -1.90 115.31 120.32 1cr1 h LEU 519 Ca 0.14 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1cr1 h LEU 519 Cb 1.03 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.49 1cr1 h LEU 519 CO 0.93 0.08 0.60 -0.75 0.09 0.00 0.00 178.44 179.39 1cr1 s LYS 520 N -3.92 0.31 -0.34 1.13 2.47 -1.18 -4.92 119.74 113.28 1cr1 s LYS 520 Ca -0.01 0.41 0.04 0.00 -1.56 0.00 0.00 55.97 54.84 1cr1 s LYS 520 Cb 0.11 0.13 0.16 0.00 -1.46 0.00 0.00 37.83 36.78 1cr1 s LYS 520 CO 0.55 -0.04 0.44 0.00 0.16 0.00 0.00 175.35 176.46 1cr1 h ARG 522 N 7.50 -0.66 -0.61 0.00 2.43 -1.55 1.75 114.38 123.23 1cr1 h ARG 522 Ca -0.01 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1cr1 h ARG 522 Cb 1.10 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.71 1cr1 h ARG 522 CO 0.21 -0.44 0.02 0.35 -1.51 0.00 0.00 179.97 178.60 1cr1 h PHE 523 N -0.69 -0.00 0.03 2.20 3.04 -1.96 -3.21 116.94 116.35 1cr1 h PHE 523 Ca 0.01 0.04 -0.36 0.00 3.98 0.00 0.00 57.97 61.64 1cr1 h PHE 523 Cb 0.73 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.28 1cr1 h PHE 523 CO -0.48 -0.14 -2.23 -2.37 -2.02 0.00 0.00 178.31 171.06 1cr1 n THR 524 N -5.26 1.54 0.00 4.41 5.66 -1.12 -4.97 114.28 114.54 1cr1 n THR 524 Ca 0.09 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1cr1 n THR 524 Cb 0.35 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 1cr1 n THR 524 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cr1 n GLY 525 N 1.94 2.81 3.59 1.09 0.00 0.59 -4.95 105.19 110.28 1cr1 n GLY 525 Ca -0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1cr1 n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cr1 s ASP 526 N -2.48 5.90 0.53 1.61 3.68 -1.26 -4.82 116.67 119.84 1cr1 s ASP 526 Ca 0.00 1.15 0.04 0.00 2.13 0.00 0.00 52.55 55.88 1cr1 s ASP 526 Cb 0.00 -2.53 0.02 0.00 -1.45 0.00 0.00 42.92 38.97 1cr1 s ASP 526 CO 0.00 -1.73 0.30 0.28 0.13 0.00 0.00 175.17 174.14 1cr1 s THR 527 N 6.89 1.52 0.00 1.71 -1.32 -1.26 -4.58 115.64 118.60 1cr1 s THR 527 Ca 0.76 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1cr1 s THR 527 Cb -0.20 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 1cr1 s THR 527 CO 0.32 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 1cr1 n GLY 528 N -1.63 -0.77 3.64 6.08 0.00 -0.72 -4.94 105.19 106.85 1cr1 n GLY 528 Ca -0.06 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1cr1 n GLY 528 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1cr1 s ILE 529 N -0.01 4.98 0.22 -0.61 -4.36 -1.26 0.96 121.20 121.13 1cr1 s ILE 529 Ca 0.00 1.18 0.09 0.00 -0.26 0.00 0.00 60.65 61.66 1cr1 s ILE 529 Cb 0.00 -3.95 -0.08 0.00 1.25 0.00 0.00 42.46 39.67 1cr1 s ILE 529 CO 0.00 0.04 1.51 0.00 0.24 0.00 0.00 174.94 176.73 1cr1 h ALA 530 N 7.78 0.78 0.00 2.27 0.00 -0.99 -3.47 119.26 125.63 1cr1 h ALA 530 Ca -0.27 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1cr1 h ALA 530 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cr1 h ALA 530 CO 0.78 0.91 0.00 0.41 0.00 0.00 0.00 179.25 181.35 1cr1 n GLY 531 N 0.58 -0.95 3.30 0.00 0.00 -1.16 -4.20 105.19 102.76 1cr1 n GLY 531 Ca -0.01 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1cr1 n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cr1 s TYR 532 N -2.97 1.76 0.11 1.61 1.51 -1.26 -0.40 117.35 117.72 1cr1 s TYR 532 Ca 0.00 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1cr1 s TYR 532 Cb 0.00 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1cr1 s TYR 532 CO 0.00 0.26 -0.14 -1.64 -1.11 0.00 0.00 175.55 172.93 1cr1 s MET 533 N -2.43 0.97 -0.21 -0.62 -1.94 0.07 -2.20 119.30 112.94 1cr1 s MET 533 Ca 0.11 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 52.92 1cr1 s MET 533 Cb -0.07 -0.85 0.05 0.00 2.01 0.00 0.00 34.83 35.96 1cr1 s MET 533 CO 0.05 0.16 -0.11 -2.00 -0.01 0.00 0.00 175.02 173.12 1cr1 s GLU 534 N -2.55 2.13 0.05 2.03 2.12 0.51 -0.33 118.70 122.66 1cr1 s GLU 534 Ca 0.07 -0.95 -0.31 0.00 0.36 0.00 0.00 54.97 54.14 1cr1 s GLU 534 Cb -0.05 -2.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.74 1cr1 s GLU 534 CO 0.03 -0.45 1.31 -0.47 -0.54 0.00 0.00 175.26 175.14 1cr1 s TYR 535 N 1.33 3.19 -0.56 5.30 6.14 -1.26 0.20 117.35 131.69 1cr1 s TYR 535 Ca -0.03 1.05 -0.20 0.00 0.64 0.00 0.00 57.07 58.53 1cr1 s TYR 535 Cb -0.17 -3.57 0.07 0.00 0.42 0.00 0.00 41.96 38.71 1cr1 s TYR 535 CO -0.08 -1.95 0.74 1.21 0.64 0.00 0.00 175.55 176.11 1cr1 s ASN 536 N 1.35 6.22 0.25 4.32 3.04 -0.03 -4.91 114.94 125.19 1cr1 s ASN 536 Ca 0.62 -0.99 0.19 0.00 0.04 0.00 0.00 52.86 52.72 1cr1 s ASN 536 Cb -0.32 -2.33 0.96 0.00 -1.54 0.00 0.00 41.25 38.02 1cr1 s ASN 536 CO 0.28 -1.08 1.59 2.29 -3.04 0.00 0.00 177.10 177.13 1cr1 n LYS 537 N 6.63 0.13 -0.06 0.43 2.85 -1.26 0.55 118.16 127.44 1cr1 n LYS 537 Ca -0.06 0.56 -0.14 0.00 -1.05 0.00 0.00 58.31 57.61 1cr1 n LYS 537 Cb 0.45 -1.87 -0.14 0.00 -0.65 0.00 0.00 35.03 32.82 1cr1 n LYS 537 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cr1 n GLU 538 N -2.13 0.68 -0.01 -1.58 -0.58 -1.26 -4.52 120.64 111.24 1cr1 n GLU 538 Ca -0.00 0.19 0.09 0.00 -0.42 0.00 0.00 57.16 57.01 1cr1 n GLU 538 Cb 0.08 -1.65 -0.15 0.00 -0.57 0.00 0.00 31.44 29.15 1cr1 n GLU 538 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1cr1 n THR 539 N -3.14 0.06 -0.96 2.62 -2.24 -1.06 -4.03 114.28 105.52 1cr1 n THR 539 Ca -0.31 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1cr1 n THR 539 Cb 1.06 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1cr1 n THR 539 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr1 n GLY 540 N 1.43 0.75 3.84 3.38 0.00 0.19 -3.95 105.19 110.83 1cr1 n GLY 540 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1cr1 n GLY 540 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cr1 s TRP 541 N -2.96 3.72 -0.20 1.61 0.52 -1.25 -4.83 118.94 115.56 1cr1 s TRP 541 Ca 0.00 1.02 -0.24 0.00 0.02 0.00 0.00 56.10 56.90 1cr1 s TRP 541 Cb 0.00 -2.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.00 1cr1 s TRP 541 CO 0.00 0.61 0.78 -0.51 0.02 0.00 0.00 176.95 177.84 1cr1 s LEU 542 N -1.24 4.14 0.18 2.99 1.43 -1.26 -0.85 118.68 124.07 1cr1 s LEU 542 Ca 0.27 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1cr1 s LEU 542 Cb -0.17 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 1cr1 s LEU 542 CO 0.15 -0.40 0.10 -1.61 0.23 0.00 0.00 176.35 174.82 1cr1 s GLU 543 N 2.29 2.74 0.41 1.70 2.02 0.13 -4.81 118.70 123.19 1cr1 s GLU 543 Ca 0.35 -0.98 -0.25 0.00 0.02 0.00 0.00 54.97 54.11 1cr1 s GLU 543 Cb -0.16 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 1cr1 s GLU 543 CO 0.10 0.46 1.16 -1.25 0.02 0.00 0.00 175.26 175.76 1cr1 s PRO 544 N -3.18 3.99 0.34 0.39 0.04 -0.81 0.19 135.00 135.96 1cr1 s PRO 544 Ca 0.30 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.24 1cr1 s PRO 544 Cb -0.09 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1cr1 s PRO 544 CO 0.22 -0.37 0.10 0.45 0.04 0.00 0.00 177.00 177.45 1cr1 s SER 545 N -1.21 4.54 -0.24 6.66 0.15 -0.94 -4.58 113.70 118.09 1cr1 s SER 545 Ca 0.59 -0.83 0.13 0.00 0.70 0.00 0.00 55.95 56.54 1cr1 s SER 545 Cb -0.30 -0.68 0.59 0.00 -1.71 0.00 0.00 66.02 63.92 1cr1 s SER 545 CO 0.37 -0.27 1.54 -1.20 1.20 0.00 0.00 173.24 174.88 1cr1 n SER 546 N -1.09 3.91 0.00 5.45 7.64 -1.26 -4.85 113.62 123.42 1cr1 n SER 546 Ca -0.03 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1cr1 n SER 546 Cb 0.61 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cr1 n SER 546 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03