#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c12 s VAL 302 N 0.00 4.69 -0.02 5.09 1.01 -1.26 -4.16 120.40 125.75 1c12 s VAL 302 Ca 0.00 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 1c12 s VAL 302 Cb 0.00 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1c12 s VAL 302 CO 0.00 0.26 0.04 -1.10 0.00 0.00 0.00 175.10 174.30 1c12 s GLN 303 N 0.43 0.02 -0.13 2.72 -0.21 -0.32 -5.01 119.66 117.15 1c12 s GLN 303 Ca 0.48 0.13 0.02 0.00 0.02 0.00 0.00 55.36 56.01 1c12 s GLN 303 Cb -0.22 -0.10 -0.00 0.00 1.00 0.00 0.00 33.01 33.69 1c12 s GLN 303 CO 0.28 -0.08 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.67 1c12 s LEU 304 N 0.53 2.33 -0.07 2.90 1.02 -1.26 -1.86 118.68 122.27 1c12 s LEU 304 Ca -0.04 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.62 1c12 s LEU 304 Cb -0.06 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.67 1c12 s LEU 304 CO -0.02 0.12 -0.09 0.00 0.02 0.00 0.00 176.35 176.38 1c12 s GLN 305 N 0.60 1.43 0.33 1.70 -2.07 -0.84 -4.17 119.66 116.64 1c12 s GLN 305 Ca -0.11 -0.30 -0.09 0.00 -1.82 0.00 0.00 55.36 53.05 1c12 s GLN 305 Cb -0.16 -1.28 -0.06 0.00 -1.09 0.00 0.00 33.01 30.42 1c12 s GLN 305 CO 0.03 -0.05 0.66 -1.21 -1.32 0.00 0.00 175.29 173.40 1c12 s GLU 306 N 0.90 3.74 0.09 9.60 8.01 -1.26 -0.69 118.70 139.09 1c12 s GLU 306 Ca -0.11 0.29 -0.14 0.00 0.01 0.00 0.00 54.97 55.02 1c12 s GLU 306 Cb -0.15 -2.52 0.02 0.00 -4.31 0.00 0.00 34.13 27.18 1c12 s GLU 306 CO 0.01 0.11 0.34 -1.12 0.01 0.00 0.00 175.26 174.61 1c12 s SER 307 N -3.00 -0.14 0.00 -0.19 0.01 0.39 -4.97 113.70 105.80 1c12 s SER 307 Ca 0.48 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1c12 s SER 307 Cb -0.11 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1c12 s SER 307 CO 0.29 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1c12 n GLY 308 N 0.11 4.45 3.71 3.44 0.00 -1.26 -0.62 105.19 115.02 1c12 n GLY 308 Ca -0.17 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 1c12 n GLY 308 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1c12 n PRO 309 N -1.87 1.90 -0.41 1.61 -0.04 -1.26 -4.94 135.00 129.99 1c12 n PRO 309 Ca 0.00 0.68 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 1c12 n PRO 309 Cb 0.00 -2.43 0.26 0.00 -0.04 0.00 0.00 33.50 31.29 1c12 n PRO 309 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c12 n GLY 310 N 0.79 1.92 2.85 0.55 0.00 -1.26 -4.88 105.19 105.17 1c12 n GLY 310 Ca 0.07 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1c12 n GLY 310 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c12 s LEU 311 N -1.35 0.80 0.02 0.99 1.98 -1.26 -1.96 118.68 117.90 1c12 s LEU 311 Ca 0.38 0.19 0.04 0.00 -2.89 0.00 0.00 54.13 51.85 1c12 s LEU 311 Cb 0.23 0.17 -0.02 0.00 0.66 0.00 0.00 46.19 47.24 1c12 s LEU 311 CO 0.21 -0.15 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.72 1c12 s VAL 312 N 1.22 0.87 0.09 1.68 1.01 -0.23 -4.97 120.40 120.06 1c12 s VAL 312 Ca -0.08 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1c12 s VAL 312 Cb -0.12 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 1c12 s VAL 312 CO -0.05 0.05 0.56 -0.54 0.00 0.00 0.00 175.10 175.13 1c12 s LYS 313 N -0.76 4.14 0.34 2.72 1.02 -1.26 -2.29 119.74 123.66 1c12 s LYS 313 Ca 0.01 0.68 -0.27 0.00 0.02 0.00 0.00 55.97 56.41 1c12 s LYS 313 Cb -0.06 -3.17 -0.12 0.00 -0.52 0.00 0.00 37.83 33.95 1c12 s LYS 313 CO 0.00 0.61 1.13 -2.30 -0.92 0.00 0.00 175.35 173.87 1c12 n PRO 314 N 1.53 1.68 0.00 -1.68 -0.02 -1.26 -2.15 135.00 133.09 1c12 n PRO 314 Ca -0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1c12 n PRO 314 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1c12 n PRO 314 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1c12 n SER 315 N 0.86 0.00 -2.30 2.55 3.41 0.50 -4.97 113.62 113.67 1c12 n SER 315 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1c12 n SER 315 Cb 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1c12 n SER 315 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c12 n GLN 316 N -2.00 0.67 -4.52 4.33 1.13 -0.92 -4.13 117.38 111.95 1c12 n GLN 316 Ca 0.00 -0.32 -0.31 0.00 -1.94 0.00 0.00 57.00 54.42 1c12 n GLN 316 Cb 0.00 -0.06 -0.11 0.00 0.11 0.00 0.00 30.24 30.18 1c12 n GLN 316 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1c12 s SER 317 N -1.45 4.20 -0.19 1.08 1.04 -1.26 -0.87 113.70 116.25 1c12 s SER 317 Ca 0.07 -0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 1c12 s SER 317 Cb -0.00 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1c12 s SER 317 CO 0.05 0.25 0.30 -0.22 0.98 0.00 0.00 173.24 174.61 1c12 s LEU 318 N -1.54 4.18 -0.07 2.42 0.20 -0.05 -4.92 118.68 118.90 1c12 s LEU 318 Ca 0.17 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.41 1c12 s LEU 318 Cb -0.11 -2.37 0.02 0.00 -0.43 0.00 0.00 46.19 43.31 1c12 s LEU 318 CO 0.07 0.03 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.18 1c12 s SER 319 N 0.80 1.43 0.20 3.68 1.04 -1.26 -0.58 113.70 119.00 1c12 s SER 319 Ca 0.15 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.53 1c12 s SER 319 Cb -0.14 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 1c12 s SER 319 CO 0.05 -0.10 -0.20 -0.76 0.98 0.00 0.00 173.24 173.21 1c12 s LEU 320 N 1.37 2.48 -0.03 2.42 2.01 -0.38 -4.51 118.68 122.04 1c12 s LEU 320 Ca -0.03 -0.91 0.07 0.00 0.01 0.00 0.00 54.13 53.26 1c12 s LEU 320 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 46.19 45.08 1c12 s LEU 320 CO -0.03 0.01 -0.23 -0.89 1.01 0.00 0.00 176.35 176.22 1c12 s THR 321 N -2.11 1.86 -0.27 5.49 2.01 0.21 -0.71 115.64 122.13 1c12 s THR 321 Ca 0.21 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1c12 s THR 321 Cb -0.06 -1.56 0.07 0.00 0.01 0.00 0.00 72.50 70.96 1c12 s THR 321 CO 0.09 0.53 -0.07 0.00 -0.69 0.00 0.00 174.62 174.48 1c12 s THR 323 N 1.13 4.97 -0.19 0.00 2.01 0.13 -1.92 115.64 121.76 1c12 s THR 323 Ca -0.04 1.19 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 1c12 s THR 323 Cb -0.20 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1c12 s THR 323 CO -0.06 0.02 0.08 -0.69 -0.69 0.00 0.00 174.62 173.27 1c12 s VAL 324 N 2.55 4.86 -0.00 3.82 1.01 -0.67 -1.98 120.40 129.98 1c12 s VAL 324 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1c12 s VAL 324 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1c12 s VAL 324 CO 0.08 0.44 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 1c12 s THR 325 N 0.52 0.93 0.00 3.92 -4.23 -0.78 -4.79 115.64 111.21 1c12 s THR 325 Ca 0.04 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1c12 s THR 325 Cb -0.13 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1c12 s THR 325 CO 0.01 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1c12 n GLY 326 N 2.66 0.44 3.56 3.99 0.00 -1.26 -1.18 105.19 113.41 1c12 n GLY 326 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1c12 n GLY 326 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c12 s TYR 327 N -2.00 -0.33 -0.26 1.61 6.14 -1.26 -4.48 117.35 116.76 1c12 s TYR 327 Ca 0.00 0.45 -0.13 0.00 0.64 0.00 0.00 57.07 58.03 1c12 s TYR 327 Cb 0.00 0.48 -0.04 0.00 0.42 0.00 0.00 41.96 42.82 1c12 s TYR 327 CO 0.00 -0.37 0.29 0.45 0.64 0.00 0.00 175.55 176.56 1c12 s SER 328 N -1.58 6.18 0.00 4.32 0.15 -1.26 -4.96 113.70 116.55 1c12 s SER 328 Ca 0.01 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.88 1c12 s SER 328 Cb -0.01 -2.17 0.17 0.00 -1.71 0.00 0.00 66.02 62.30 1c12 s SER 328 CO -0.02 -0.10 0.50 2.30 1.20 0.00 0.00 173.24 177.12 1c12 n ILE 329 N 4.95 0.00 0.35 6.45 -5.35 -1.26 -1.14 119.36 123.36 1c12 n ILE 329 Ca -0.11 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.44 1c12 n ILE 329 Cb 0.51 -0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 37.59 1c12 n ILE 329 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1c12 n THR 330 N -0.79 0.00 -0.01 7.28 -2.24 -1.26 -4.27 114.28 112.99 1c12 n THR 330 Ca 0.02 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1c12 n THR 330 Cb 0.01 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1c12 n THR 330 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1c12 h SER 331 N 0.00 0.01 -5.42 3.42 0.02 -1.41 -3.43 113.55 106.74 1c12 h SER 331 Ca 0.00 -0.41 0.18 0.00 -0.84 0.00 0.00 61.79 60.72 1c12 h SER 331 Cb 0.51 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1c12 h SER 331 CO 0.00 0.42 0.58 -0.62 -1.14 0.00 0.00 176.83 176.07 1c12 s ASP 331 N -5.63 -0.04 0.46 3.07 3.68 -1.26 -5.01 116.67 111.95 1c12 s ASP 331 Ca -0.15 -0.59 0.00 0.00 2.13 0.00 0.00 52.55 53.94 1c12 s ASP 331 Cb 0.02 0.48 0.00 0.00 -1.45 0.00 0.00 42.92 41.97 1c12 s ASP 331 CO 0.68 -0.94 0.00 -1.22 0.13 0.00 0.00 175.17 173.82 1c12 n TYR 332 N -0.64 -2.84 -3.22 -5.34 4.02 -1.26 -4.51 117.16 103.36 1c12 n TYR 332 Ca -0.04 1.57 -0.37 0.00 -0.01 0.00 0.00 57.90 59.05 1c12 n TYR 332 Cb 0.60 -2.59 -0.06 0.00 -0.02 0.00 0.00 39.34 37.27 1c12 n TYR 332 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1c12 s ALA 33 N -4.56 3.53 -0.34 -0.72 0.00 -1.26 -3.08 121.76 115.32 1c12 s ALA 33 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1c12 s ALA 33 Cb 0.00 -2.69 0.08 0.00 0.00 0.00 0.00 23.12 20.51 1c12 s ALA 33 CO 0.00 0.39 0.07 -1.58 0.00 0.00 0.00 175.76 174.64 1c12 s TRP 334 N -1.31 3.43 0.53 0.00 0.52 -0.23 -1.41 118.94 120.47 1c12 s TRP 334 Ca 0.35 -2.18 -0.02 0.00 0.02 0.00 0.00 56.10 54.27 1c12 s TRP 334 Cb -0.18 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.57 1c12 s TRP 334 CO 0.20 -0.88 0.79 -0.80 0.02 0.00 0.00 176.95 176.28 1c12 s ASN 35 N 1.41 5.61 -0.11 2.95 0.01 0.24 -2.12 114.94 122.93 1c12 s ASN 35 Ca 0.01 0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1c12 s ASN 35 Cb -0.21 -1.47 0.03 0.00 0.41 0.00 0.00 41.25 40.02 1c12 s ASN 35 CO -0.03 -0.95 -0.01 0.26 -1.51 0.00 0.00 177.10 174.87 1c12 s TRP 336 N -2.78 0.92 0.10 2.20 0.52 -0.40 -1.17 118.94 118.33 1c12 s TRP 336 Ca 0.52 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 56.24 1c12 s TRP 336 Cb -0.10 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1c12 s TRP 336 CO 0.41 -0.43 -0.12 0.96 0.02 0.00 0.00 176.95 177.79 1c12 s ILE 337 N 1.89 1.07 0.07 2.03 -4.36 0.43 -0.85 121.20 121.49 1c12 s ILE 337 Ca 0.04 -1.61 0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1c12 s ILE 337 Cb -0.13 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 1c12 s ILE 337 CO -0.06 -0.47 -0.15 0.00 0.24 0.00 0.00 174.94 174.50 1c12 s ARG 338 N -2.60 0.85 -0.21 0.37 1.70 -0.18 0.21 118.95 119.10 1c12 s ARG 338 Ca 0.05 -0.98 -0.01 0.00 -0.47 0.00 0.00 55.73 54.33 1c12 s ARG 338 Cb -0.05 -0.88 0.01 0.00 -0.57 0.00 0.00 34.95 33.47 1c12 s ARG 338 CO 0.01 0.20 -0.13 -1.14 -1.08 0.00 0.00 175.30 173.16 1c12 s GLN 339 N -1.76 3.04 0.54 3.89 0.74 -0.20 -0.63 119.66 125.29 1c12 s GLN 339 Ca -0.01 -0.82 -0.15 0.00 0.05 0.00 0.00 55.36 54.43 1c12 s GLN 339 Cb -0.10 -2.77 -0.07 0.00 1.10 0.00 0.00 33.01 31.17 1c12 s GLN 339 CO 0.02 -0.25 0.99 -0.06 -0.55 0.00 0.00 175.29 175.44 1c12 s PHE 340 N 1.34 3.50 -0.23 1.67 2.99 0.12 -1.61 117.98 125.76 1c12 s PHE 340 Ca 0.04 1.40 -0.28 0.00 0.00 0.00 0.00 56.93 58.09 1c12 s PHE 340 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 43.02 40.08 1c12 s PHE 340 CO -0.09 -0.45 1.99 -2.14 -0.00 0.00 0.00 175.22 174.54 1c12 s PRO 341 N -4.37 3.38 0.00 0.24 0.02 -1.26 -1.19 135.00 131.81 1c12 s PRO 341 Ca 0.58 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1c12 s PRO 341 Cb -0.10 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1c12 s PRO 341 CO 0.38 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.64 1c12 n GLY 342 N 5.40 -0.68 3.28 0.52 0.00 -1.26 -4.82 105.19 107.63 1c12 n GLY 342 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1c12 n GLY 342 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c12 n ASN 343 N 0.00 0.00 -4.72 1.61 5.03 -0.34 -4.99 115.26 111.85 1c12 n ASN 343 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 1c12 n ASN 343 Cb 0.00 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.26 1c12 n ASN 343 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1c12 s LYS 344 N -0.15 4.23 -0.04 3.52 2.20 -1.23 -4.76 119.74 123.52 1c12 s LYS 344 Ca 0.00 2.33 -0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1c12 s LYS 344 Cb 0.00 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1c12 s LYS 344 CO 0.00 -0.58 0.04 -0.51 -0.36 0.00 0.00 175.35 173.94 1c12 s LEU 345 N 1.03 3.73 -0.01 5.43 1.43 -1.26 0.11 118.68 129.14 1c12 s LEU 345 Ca 0.69 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1c12 s LEU 345 Cb -0.43 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1c12 s LEU 345 CO 0.32 0.32 -0.01 -0.70 0.23 0.00 0.00 176.35 176.51 1c12 s GLU 346 N -1.38 0.19 -0.18 1.70 2.12 0.20 -4.99 118.70 116.37 1c12 s GLU 346 Ca 0.18 0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.33 1c12 s GLU 346 Cb -0.12 -0.29 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 1c12 s GLU 346 CO 0.09 -0.05 0.56 -0.46 -0.54 0.00 0.00 175.26 174.86 1c12 s TRP 47 N 0.47 3.41 -0.21 5.30 -0.00 -1.26 -1.01 118.94 125.64 1c12 s TRP 47 Ca -0.04 0.87 -0.15 0.00 -0.00 0.00 0.00 56.10 56.78 1c12 s TRP 47 Cb -0.07 -2.70 -0.19 0.00 -0.00 0.00 0.00 33.47 30.51 1c12 s TRP 47 CO -0.01 -0.07 0.09 -1.33 -0.00 0.00 0.00 176.95 175.63 1c12 n MET 348 N 4.63 0.62 -3.63 5.86 2.81 -0.03 -4.64 117.12 122.74 1c12 n MET 348 Ca -0.04 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1c12 n MET 348 Cb 0.50 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1c12 n MET 348 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c12 n GLY 349 N 1.59 -1.93 3.43 3.03 0.00 -1.15 -0.60 105.19 109.56 1c12 n GLY 349 Ca -0.38 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1c12 n GLY 349 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c12 s TYR 50 N -2.35 0.03 -0.11 1.61 -0.00 0.03 -1.27 117.35 115.29 1c12 s TYR 50 Ca 0.00 -0.38 0.01 0.00 -0.00 0.00 0.00 57.07 56.70 1c12 s TYR 50 Cb 0.00 0.23 0.02 0.00 -0.00 0.00 0.00 41.96 42.21 1c12 s TYR 50 CO 0.00 -0.82 -0.12 -1.50 -0.00 0.00 0.00 175.55 173.11 1c12 s ILE 351 N -3.89 1.27 0.78 -3.49 2.07 -0.90 -1.57 121.20 115.47 1c12 s ILE 351 Ca 0.11 -0.49 -0.13 0.00 -1.41 0.00 0.00 60.65 58.73 1c12 s ILE 351 Cb 0.01 -1.21 0.18 0.00 0.13 0.00 0.00 42.46 41.57 1c12 s ILE 351 CO -0.03 0.40 1.01 -1.54 -1.91 0.00 0.00 174.94 172.87 1c12 n SER 352 N 4.45 -0.10 0.19 4.50 3.41 0.88 -1.06 113.62 125.89 1c12 n SER 352 Ca -0.17 -1.34 0.14 0.00 -0.26 0.00 0.00 58.87 57.23 1c12 n SER 352 Cb 0.51 -0.79 0.45 0.00 -0.26 0.00 0.00 64.21 64.12 1c12 n SER 352 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1c12 h TYR 353 N -1.68 0.00 -0.03 7.33 -0.00 -1.72 -3.06 116.97 117.81 1c12 h TYR 353 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.40 1c12 h TYR 353 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.65 1c12 h TYR 353 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1c12 n SER 354 N -2.73 1.75 0.00 0.10 3.41 -1.26 -4.56 113.62 110.33 1c12 n SER 354 Ca 0.03 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1c12 n SER 354 Cb 0.38 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1c12 n SER 354 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c12 n GLY 355 N 1.20 0.66 3.82 5.00 0.00 -1.16 -5.06 105.19 109.65 1c12 n GLY 355 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1c12 n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c12 s SER 356 N -2.91 7.00 0.07 1.61 0.01 -1.26 -4.82 113.70 113.39 1c12 s SER 356 Ca 0.00 1.53 0.08 0.00 1.31 0.00 0.00 55.95 58.87 1c12 s SER 356 Cb 0.00 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1c12 s SER 356 CO 0.00 -0.16 -0.21 0.42 0.41 0.00 0.00 173.24 173.70 1c12 s THR 357 N -1.85 1.72 -0.08 1.44 -4.23 -1.26 -0.08 115.64 111.30 1c12 s THR 357 Ca 0.53 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1c12 s THR 357 Cb -0.13 -1.52 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1c12 s THR 357 CO 0.18 0.12 -0.01 -0.44 -0.54 0.00 0.00 174.62 173.94 1c12 s SER 358 N -1.44 1.73 0.21 3.99 0.01 -0.61 -4.99 113.70 112.59 1c12 s SER 358 Ca 0.08 -0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.29 1c12 s SER 358 Cb -0.09 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1c12 s SER 358 CO 0.03 -0.18 -0.07 -0.31 0.41 0.00 0.00 173.24 173.11 1c12 s TYR 359 N 1.92 2.64 0.25 2.43 2.02 -1.26 -0.79 117.35 124.57 1c12 s TYR 359 Ca 0.05 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.23 1c12 s TYR 359 Cb -0.12 -1.25 -0.10 0.00 -0.40 0.00 0.00 41.96 40.09 1c12 s TYR 359 CO -0.06 0.55 1.36 0.45 -1.57 0.00 0.00 175.55 176.28 1c12 s SER 360 N -3.07 6.77 0.26 2.29 0.15 0.23 -4.84 113.70 115.48 1c12 s SER 360 Ca 0.27 2.58 -0.04 0.00 0.70 0.00 0.00 55.95 59.45 1c12 s SER 360 Cb -0.08 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.11 1c12 s SER 360 CO 0.16 -0.59 1.65 -0.65 1.20 0.00 0.00 173.24 175.01 1c12 h PRO 361 N 4.72 0.16 0.00 5.44 0.11 -1.95 -0.66 132.00 139.83 1c12 h PRO 361 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1c12 h PRO 361 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1c12 h PRO 361 CO 0.74 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 1c12 n SER 362 N -5.27 0.00 -0.02 -2.05 3.41 -1.26 -2.56 113.62 105.86 1c12 n SER 362 Ca 0.16 0.16 0.02 0.00 -0.26 0.00 0.00 58.87 58.94 1c12 n SER 362 Cb 0.52 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1c12 n SER 362 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1c12 n LEU 363 N -1.33 0.34 -0.44 1.04 4.32 -0.35 -4.80 117.00 115.78 1c12 n LEU 363 Ca 0.07 -0.57 0.38 0.00 -0.02 0.00 0.00 56.01 55.86 1c12 n LEU 363 Cb 0.14 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 42.64 1c12 n LEU 363 CO 0.13 0.08 1.32 0.50 -1.22 0.00 0.00 177.39 178.20 1c12 h LYS 364 N 0.11 0.09 0.00 3.23 3.64 -1.03 0.11 116.57 122.73 1c12 h LYS 364 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1c12 h LYS 364 Cb 0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1c12 h LYS 364 CO 0.00 0.06 -0.79 0.66 -2.27 0.00 0.00 179.45 177.11 1c12 h SER 365 N 0.09 0.00 0.00 4.20 4.64 -1.87 -3.38 113.55 117.24 1c12 h SER 365 Ca 0.73 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1c12 h SER 365 Cb 2.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.65 1c12 h SER 365 CO -0.17 0.08 -1.28 0.54 -0.87 0.00 0.00 176.83 175.12 1c12 n ARG 366 N -2.32 1.00 -3.75 4.77 1.74 -0.22 -4.96 116.66 112.92 1c12 n ARG 366 Ca 0.02 -0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 1c12 n ARG 366 Cb 0.48 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 1c12 n ARG 366 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1c12 s ILE 367 N -2.58 5.23 -0.25 0.55 2.07 0.23 -0.07 121.20 126.38 1c12 s ILE 367 Ca -0.02 -0.44 -0.06 0.00 -1.41 0.00 0.00 60.65 58.72 1c12 s ILE 367 Cb 0.07 -3.74 0.12 0.00 0.13 0.00 0.00 42.46 39.05 1c12 s ILE 367 CO 0.44 -0.16 0.49 -0.55 -1.91 0.00 0.00 174.94 173.25 1c12 s SER 368 N -3.20 -0.55 -0.18 4.50 0.15 -0.36 -4.92 113.70 109.15 1c12 s SER 368 Ca 0.38 0.97 -0.05 0.00 0.70 0.00 0.00 55.95 57.94 1c12 s SER 368 Cb -0.11 1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 65.83 1c12 s SER 368 CO 0.29 -0.25 0.01 -0.76 1.20 0.00 0.00 173.24 173.73 1c12 s LEU 369 N 2.71 3.42 0.14 3.45 1.43 -1.26 -1.11 118.68 127.46 1c12 s LEU 369 Ca 0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1c12 s LEU 369 Cb -0.13 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1c12 s LEU 369 CO -0.16 0.13 0.01 -0.89 0.23 0.00 0.00 176.35 175.67 1c12 s THR 370 N 0.62 0.44 0.26 5.49 2.01 -1.08 -4.99 115.64 118.39 1c12 s THR 370 Ca -0.00 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.08 1c12 s THR 370 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1c12 s THR 370 CO 0.02 -0.55 0.08 0.00 -0.69 0.00 0.00 174.62 173.47 1c12 s ARG 371 N -3.95 1.42 -0.34 4.92 1.70 -1.26 0.33 118.95 121.76 1c12 s ARG 371 Ca 0.21 -1.76 -0.00 0.00 -0.47 0.00 0.00 55.73 53.71 1c12 s ARG 371 Cb 0.07 -0.38 0.14 0.00 -0.57 0.00 0.00 34.95 34.20 1c12 s ARG 371 CO 0.01 -0.25 0.24 0.34 -1.08 0.00 0.00 175.30 174.57 1c12 s ASP 372 N -3.33 2.50 0.21 -2.89 -1.08 0.04 -4.95 116.67 107.16 1c12 s ASP 372 Ca 0.36 -1.71 -0.10 0.00 -0.52 0.00 0.00 52.55 50.57 1c12 s ASP 372 Cb 0.08 -0.06 0.15 0.00 -1.46 0.00 0.00 42.92 41.63 1c12 s ASP 372 CO 0.13 -0.33 1.87 0.71 0.52 0.00 0.00 175.17 178.07 1c12 h THR 373 N 5.43 1.20 0.00 1.71 1.35 -1.97 -0.65 112.91 119.98 1c12 h THR 373 Ca -0.01 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1c12 h THR 373 Cb 1.01 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1c12 h THR 373 CO 0.29 0.19 -0.16 0.77 -0.25 0.00 0.00 175.52 176.36 1c12 h SER 374 N 1.01 0.00 -0.01 5.36 4.64 -1.96 -1.57 113.55 121.02 1c12 h SER 374 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1c12 h SER 374 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1c12 h SER 374 CO -0.06 0.16 -0.57 0.29 -0.87 0.00 0.00 176.83 175.78 1c12 n LYS 375 N -4.05 1.02 -3.46 4.77 5.02 -1.12 -5.00 118.16 115.35 1c12 n LYS 375 Ca -0.02 -0.81 -0.19 0.00 -2.02 0.00 0.00 58.31 55.26 1c12 n LYS 375 Cb 0.24 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1c12 n LYS 375 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c12 n ASN 376 N -0.29 -3.90 -3.82 4.39 5.15 -0.29 -4.81 115.26 111.70 1c12 n ASN 376 Ca 0.08 -0.74 -0.12 0.00 -0.60 0.00 0.00 54.58 53.20 1c12 n ASN 376 Cb 0.44 -4.71 -0.10 0.00 -0.53 0.00 0.00 39.78 34.88 1c12 n ASN 376 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c12 s GLN 377 N -5.22 0.52 0.10 1.20 -2.07 -0.95 -1.66 119.66 111.58 1c12 s GLN 377 Ca 0.22 -0.22 0.08 0.00 -1.82 0.00 0.00 55.36 53.63 1c12 s GLN 377 Cb -0.04 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1c12 s GLN 377 CO 0.77 -0.13 -0.21 -0.59 -1.32 0.00 0.00 175.29 173.82 1c12 s PHE 378 N -1.14 1.77 0.43 9.60 -0.12 -0.81 -0.78 117.98 126.93 1c12 s PHE 378 Ca -0.12 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.40 1c12 s PHE 378 Cb -0.06 -0.97 -0.06 0.00 -0.63 0.00 0.00 43.02 41.31 1c12 s PHE 378 CO 0.02 0.21 0.07 -0.06 -0.05 0.00 0.00 175.22 175.41 1c12 s PHE 379 N -1.21 2.41 -0.01 3.49 0.40 0.15 -0.38 117.98 122.85 1c12 s PHE 379 Ca 0.07 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1c12 s PHE 379 Cb -0.10 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 1c12 s PHE 379 CO 0.04 0.31 -0.10 -1.17 0.70 0.00 0.00 175.22 175.00 1c12 s LEU 380 N -3.81 2.01 -0.07 -0.37 2.96 0.12 -2.62 118.68 116.89 1c12 s LEU 380 Ca 0.32 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1c12 s LEU 380 Cb 0.07 -0.55 0.04 0.00 0.50 0.00 0.00 46.19 46.25 1c12 s LEU 380 CO 0.17 0.13 0.07 -1.10 -1.32 0.00 0.00 176.35 174.30 1c12 s GLN 381 N -0.22 -0.04 -0.23 1.98 -0.21 -0.27 -1.25 119.66 119.43 1c12 s GLN 381 Ca 0.04 0.28 -0.04 0.00 0.02 0.00 0.00 55.36 55.66 1c12 s GLN 381 Cb -0.04 -0.80 -0.01 0.00 1.00 0.00 0.00 33.01 33.16 1c12 s GLN 381 CO -0.00 -0.41 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.55 1c12 s LEU 382 N 2.17 2.97 0.47 2.90 2.96 0.25 -1.22 118.68 129.18 1c12 s LEU 382 Ca 0.04 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1c12 s LEU 382 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1c12 s LEU 382 CO -0.05 -0.03 0.76 0.20 -1.32 0.00 0.00 176.35 175.90 1c12 s ASN 382 N 1.48 6.22 -1.28 3.68 0.01 0.90 -0.88 114.94 125.06 1c12 s ASN 382 Ca 0.05 0.83 -0.23 0.00 -0.71 0.00 0.00 52.86 52.80 1c12 s ASN 382 Cb -0.15 -2.17 0.03 0.00 0.41 0.00 0.00 41.25 39.38 1c12 s ASN 382 CO -0.03 -0.57 0.44 -1.20 -1.51 0.00 0.00 177.10 174.23 1c12 n SER 382 N -2.21 -2.35 -4.77 -1.22 7.64 -1.08 -4.88 113.62 104.75 1c12 n SER 382 Ca 0.00 -1.26 -0.36 0.00 1.01 0.00 0.00 58.87 58.26 1c12 n SER 382 Cb 0.55 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1c12 n SER 382 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1c12 s VAL 382 N -3.83 3.04 0.38 0.44 -7.23 -0.05 -4.67 120.40 108.48 1c12 s VAL 382 Ca 0.32 0.70 0.05 0.00 -1.81 0.00 0.00 61.98 61.24 1c12 s VAL 382 Cb -0.18 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.38 1c12 s VAL 382 CO 0.95 -0.09 0.04 0.42 -0.31 0.00 0.00 175.10 176.11 1c12 s THR 383 N -1.65 1.52 0.58 5.32 -4.23 -1.26 -0.37 115.64 115.55 1c12 s THR 383 Ca 0.70 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1c12 s THR 383 Cb -0.27 -2.82 0.38 0.00 1.34 0.00 0.00 72.50 71.12 1c12 s THR 383 CO 0.31 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 177.05 1c12 h THR 384 N 1.90 0.42 0.00 3.99 1.35 -1.98 -0.74 112.91 117.85 1c12 h THR 384 Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1c12 h THR 384 Cb 1.25 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1c12 h THR 384 CO 0.74 0.00 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.59 1c12 h GLU 385 N 0.00 0.00 0.00 4.72 3.07 -1.96 -2.22 114.58 118.19 1c12 h GLU 385 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1c12 h GLU 385 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1c12 h GLU 385 CO -0.00 0.10 0.00 -0.25 -1.40 0.00 0.00 179.01 177.46 1c12 n ASP 386 N -3.55 0.00 -4.66 1.42 8.00 -0.28 -4.75 116.55 112.72 1c12 n ASP 386 Ca -0.02 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1c12 n ASP 386 Cb 0.23 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1c12 n ASP 386 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1c12 s THR 387 N -2.07 3.50 0.11 -3.53 2.01 -0.84 -4.88 115.64 109.94 1c12 s THR 387 Ca 0.37 0.61 -0.25 0.00 0.31 0.00 0.00 61.69 62.72 1c12 s THR 387 Cb 0.18 -3.41 0.08 0.00 0.01 0.00 0.00 72.50 69.36 1c12 s THR 387 CO 0.31 -0.07 1.11 0.00 -0.69 0.00 0.00 174.62 175.27 1c12 s ALA 388 N 4.28 -1.86 -0.28 7.40 0.00 -0.76 -4.55 121.76 125.98 1c12 s ALA 388 Ca 0.76 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 1c12 s ALA 388 Cb -0.34 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1c12 s ALA 388 CO 0.31 -1.07 0.15 0.99 0.00 0.00 0.00 175.76 176.14 1c12 s THR 389 N -2.41 4.88 -0.09 0.00 2.01 -0.63 -0.39 115.64 119.01 1c12 s THR 389 Ca 0.20 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1c12 s THR 389 Cb -0.01 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1c12 s THR 389 CO 0.02 0.22 0.39 -0.31 -0.69 0.00 0.00 174.62 174.25 1c12 s TYR 390 N 1.69 3.57 -0.06 4.92 1.51 0.54 -1.03 117.35 128.49 1c12 s TYR 390 Ca 0.06 0.83 0.03 0.00 -1.01 0.00 0.00 57.07 56.98 1c12 s TYR 390 Cb -0.16 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 1c12 s TYR 390 CO 0.08 0.37 -0.16 0.71 -1.11 0.00 0.00 175.55 175.44 1c12 s TYR 391 N -0.06 1.71 -0.13 2.71 1.51 0.13 -1.92 117.35 121.31 1c12 s TYR 391 Ca 0.22 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1c12 s TYR 391 Cb -0.15 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1c12 s TYR 391 CO 0.09 -0.24 0.21 0.00 -1.11 0.00 0.00 175.55 174.50 1c12 s VAL 393 N -0.46 0.06 0.48 0.00 0.11 -0.32 -2.43 120.40 117.84 1c12 s VAL 393 Ca 0.15 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1c12 s VAL 393 Cb -0.13 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1c12 s VAL 393 CO 0.04 -0.25 0.69 0.42 -3.33 0.00 0.00 175.10 172.67 1c12 s THR 394 N -1.19 3.45 0.00 5.04 -4.23 -0.14 0.79 115.64 119.36 1c12 s THR 394 Ca -0.12 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1c12 s THR 394 Cb -0.05 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1c12 s THR 394 CO 0.04 -0.18 0.00 -1.54 -0.54 0.00 0.00 174.62 172.40 1c12 n SER 95 N -2.13 0.00 -4.67 3.99 3.41 -0.50 -4.44 113.62 109.28 1c12 n SER 95 Ca 0.04 -0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 57.64 1c12 n SER 95 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1c12 n SER 95 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1c12 s LEU 96 N 0.00 4.21 0.03 1.04 2.01 -1.26 -4.48 118.68 120.23 1c12 s LEU 96 Ca 0.00 1.74 -0.01 0.00 0.01 0.00 0.00 54.13 55.88 1c12 s LEU 96 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.62 1c12 s LEU 96 CO 0.00 -0.74 0.17 0.28 1.01 0.00 0.00 176.35 177.07 1c12 s THR 397 N 3.27 5.22 -0.42 5.49 -1.32 0.16 -4.90 115.64 123.13 1c12 s THR 397 Ca 0.56 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 1c12 s THR 397 Cb -0.23 -3.48 0.13 0.00 -1.51 0.00 0.00 72.50 67.41 1c12 s THR 397 CO 0.17 0.24 0.22 0.86 -2.21 0.00 0.00 174.62 173.90 1c12 s TRP 398 N -1.38 1.93 0.00 9.09 -0.11 -1.26 -0.34 118.94 126.87 1c12 s TRP 398 Ca 0.30 -2.35 0.00 0.00 1.22 0.00 0.00 56.10 55.27 1c12 s TRP 398 Cb -0.13 -1.85 0.00 0.00 -1.50 0.00 0.00 33.47 30.00 1c12 s TRP 398 CO 0.22 -0.79 0.00 1.28 -4.62 0.00 0.00 176.95 173.03 1c12 n LEU 399 N 3.67 2.09 0.00 5.86 4.77 -1.26 -5.08 117.00 127.05 1c12 n LEU 399 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1c12 n LEU 399 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1c12 n LEU 399 CO 0.23 0.34 0.00 0.18 -1.33 0.00 0.00 177.39 176.81 1c12 n LEU 400 N -2.59 0.00 -1.00 2.23 4.77 -1.26 -5.15 117.00 113.99 1c12 n LEU 400 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1c12 n LEU 400 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1c12 n LEU 400 CO 0.00 0.00 -0.29 0.54 -1.33 0.00 0.00 177.39 176.31 1c12 n ARG 400 N 0.00 0.00 -0.85 3.23 1.74 -1.26 -5.09 116.66 114.43 1c12 n ARG 400 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1c12 n ARG 400 Cb 0.00 -0.25 0.15 0.00 -1.02 0.00 0.00 32.46 31.34 1c12 n ARG 400 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1c12 s LYS 400 N -0.44 1.34 -0.10 5.56 1.02 -1.26 -4.87 119.74 121.00 1c12 s LYS 400 Ca 0.11 1.44 -0.17 0.00 0.02 0.00 0.00 55.97 57.37 1c12 s LYS 400 Cb -0.06 -1.77 0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1c12 s LYS 400 CO 0.19 -2.37 0.43 0.50 -0.92 0.00 0.00 175.35 173.18 1c12 s ARG 400 N -4.72 0.63 -0.02 1.68 3.52 0.54 -4.94 118.95 115.65 1c12 s ARG 400 Ca 0.65 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 56.59 1c12 s ARG 400 Cb -0.21 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1c12 s ARG 400 CO 0.57 -0.13 -0.10 -1.54 -0.81 0.00 0.00 175.30 173.30 1c12 s SER 401 N -0.45 4.42 -0.08 -2.12 1.04 -1.26 -0.67 113.70 114.58 1c12 s SER 401 Ca -0.06 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 1c12 s SER 401 Cb -0.03 -1.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 1c12 s SER 401 CO 0.03 0.31 -0.02 -0.31 0.98 0.00 0.00 173.24 174.23 1c12 s TYR 402 N -0.90 3.10 0.20 5.02 1.51 -1.26 -4.98 117.35 120.03 1c12 s TYR 402 Ca 0.15 0.14 0.09 0.00 -1.01 0.00 0.00 57.07 56.43 1c12 s TYR 402 Cb -0.11 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1c12 s TYR 402 CO 0.05 0.43 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.17 1c12 s TRP 103 N -0.85 1.82 0.37 2.71 0.52 -1.26 -0.97 118.94 121.28 1c12 s TRP 103 Ca 0.13 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.80 1c12 s TRP 103 Cb -0.11 -0.86 0.05 0.00 -1.15 0.00 0.00 33.47 31.41 1c12 s TRP 103 CO 0.02 0.40 0.45 0.41 0.02 0.00 0.00 176.95 178.25 1c12 n GLY 404 N -0.19 2.21 0.12 0.98 0.00 -1.02 -4.35 105.19 102.94 1c12 n GLY 404 Ca -0.09 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.73 1c12 n GLY 404 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1c12 h GLN 405 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.47 115.11 111.35 1c12 h GLN 405 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1c12 h GLN 405 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1c12 h GLN 405 CO 0.28 0.43 0.00 0.41 -0.00 0.00 0.00 178.83 179.95 1c12 n GLY 406 N 1.30 -2.18 3.26 0.06 0.00 -1.26 -5.02 105.19 101.35 1c12 n GLY 406 Ca -0.03 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1c12 n GLY 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c12 s THR 407 N -1.57 2.01 0.08 2.61 -4.23 -0.81 -4.89 115.64 108.85 1c12 s THR 407 Ca 0.00 -1.05 -0.26 0.00 -1.18 0.00 0.00 61.69 59.20 1c12 s THR 407 Cb 0.00 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 1c12 s THR 407 CO 0.00 0.56 0.82 0.28 -0.54 0.00 0.00 174.62 175.74 1c12 s THR 408 N -0.19 4.60 -0.17 3.99 -1.32 -1.26 -0.34 115.64 120.95 1c12 s THR 408 Ca -0.03 1.76 -0.00 0.00 -1.21 0.00 0.00 61.69 62.21 1c12 s THR 408 Cb -0.13 -4.17 0.04 0.00 -1.51 0.00 0.00 72.50 66.72 1c12 s THR 408 CO 0.03 0.38 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.06 1c12 s VAL 409 N -0.25 1.28 -0.11 5.08 1.01 0.48 -4.63 120.40 123.27 1c12 s VAL 409 Ca 0.40 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1c12 s VAL 409 Cb -0.22 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1c12 s VAL 409 CO 0.25 0.17 0.17 -0.89 0.00 0.00 0.00 175.10 174.81 1c12 s THR 410 N 1.56 5.44 -0.31 3.92 2.01 -0.83 -1.84 115.64 125.60 1c12 s THR 410 Ca 0.01 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1c12 s THR 410 Cb -0.15 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 68.97 1c12 s THR 410 CO -0.08 0.60 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1c12 s VAL 411 N -0.90 2.99 0.19 3.82 1.01 -1.26 -1.07 120.40 125.18 1c12 s VAL 411 Ca 0.15 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.53 1c12 s VAL 411 Cb -0.12 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1c12 s VAL 411 CO 0.05 -0.17 0.42 -0.55 0.00 0.00 0.00 175.10 174.84 1c12 s SER 412 N 1.29 -0.11 -0.13 3.32 0.15 -0.97 -4.51 113.70 112.74 1c12 s SER 412 Ca -0.04 -0.70 0.17 0.00 0.70 0.00 0.00 55.95 56.08 1c12 s SER 412 Cb -0.20 0.52 0.34 0.00 -1.71 0.00 0.00 66.02 64.97 1c12 s SER 412 CO -0.02 -1.00 1.22 -1.20 1.20 0.00 0.00 173.24 173.45 1c12 n SER 413 N -0.29 2.79 -4.73 5.45 7.64 -1.26 -4.20 113.62 119.02 1c12 n SER 413 Ca -0.08 -2.98 -0.39 0.00 1.01 0.00 0.00 58.87 56.44 1c12 n SER 413 Cb 0.63 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 1c12 n SER 413 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c12 s ALA 414 N -2.71 3.42 0.76 -0.43 0.00 -1.26 -5.05 121.76 116.49 1c12 s ALA 414 Ca 0.33 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1c12 s ALA 414 Cb 0.28 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.66 1c12 s ALA 414 CO 0.05 -0.01 1.13 0.45 0.00 0.00 0.00 175.76 177.38 1c12 s SER 415 N 0.52 4.32 0.10 0.00 0.15 -1.26 -4.87 113.70 112.66 1c12 s SER 415 Ca 0.32 2.03 -0.31 0.00 0.70 0.00 0.00 55.95 58.70 1c12 s SER 415 Cb -0.17 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.49 1c12 s SER 415 CO 0.15 -2.17 1.88 0.42 1.20 0.00 0.00 173.24 174.73 1c12 s THR 416 N -2.54 2.68 -0.27 6.45 -4.23 -1.26 -4.71 115.64 111.77 1c12 s THR 416 Ca 0.66 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1c12 s THR 416 Cb -0.21 -3.02 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1c12 s THR 416 CO 0.50 -0.00 0.04 -0.54 -0.54 0.00 0.00 174.62 174.09 1c12 s LYS 417 N 3.34 0.99 0.85 3.99 1.02 0.32 -4.94 119.74 125.31 1c12 s LYS 417 Ca 0.84 -0.98 -0.16 0.00 0.02 0.00 0.00 55.97 55.69 1c12 s LYS 417 Cb -0.45 -2.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 1c12 s LYS 417 CO 0.38 -0.81 -0.06 0.41 -0.92 0.00 0.00 175.35 174.35 1c12 n GLY 418 N 4.80 -2.98 3.86 -3.33 0.00 -1.26 -0.70 105.19 105.57 1c12 n GLY 418 Ca -0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1c12 n GLY 418 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c12 s PRO 419 N -2.48 3.88 -0.26 1.61 0.04 -1.26 -4.37 135.00 132.16 1c12 s PRO 419 Ca 0.53 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 1c12 s PRO 419 Cb -0.28 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1c12 s PRO 419 CO 0.70 -0.17 0.11 0.45 0.04 0.00 0.00 177.00 178.13 1c12 s SER 420 N -3.11 5.41 -0.20 6.66 0.15 -0.72 -4.94 113.70 116.95 1c12 s SER 420 Ca 0.56 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 1c12 s SER 420 Cb -0.10 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1c12 s SER 420 CO 0.31 -0.06 0.02 -0.69 1.20 0.00 0.00 173.24 174.03 1c12 s VAL 421 N 1.65 4.18 -0.07 4.45 1.01 -1.25 -0.92 120.40 129.46 1c12 s VAL 421 Ca 0.06 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1c12 s VAL 421 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1c12 s VAL 421 CO 0.06 0.43 -0.19 -0.31 0.00 0.00 0.00 175.10 175.09 1c12 s TYR 422 N 0.86 2.01 0.15 5.22 1.51 0.99 -4.96 117.35 123.14 1c12 s TYR 422 Ca 0.02 -0.71 -0.30 0.00 -1.01 0.00 0.00 57.07 55.07 1c12 s TYR 422 Cb -0.14 -1.37 -0.07 0.00 -0.11 0.00 0.00 41.96 40.27 1c12 s TYR 422 CO 0.02 -0.28 1.01 -1.25 -1.11 0.00 0.00 175.55 173.94 1c12 s PRO 423 N 0.27 4.68 -0.61 -1.71 0.04 -1.26 -0.12 135.00 136.29 1c12 s PRO 423 Ca -0.11 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.41 1c12 s PRO 423 Cb -0.15 -3.33 0.16 0.00 0.04 0.00 0.00 34.50 31.21 1c12 s PRO 423 CO 0.05 0.19 0.46 -0.51 0.04 0.00 0.00 177.00 177.23 1c12 s LEU 424 N -0.23 5.68 0.41 -3.56 1.43 0.66 -4.90 118.68 118.18 1c12 s LEU 424 Ca 0.47 -2.49 -0.03 0.00 -1.03 0.00 0.00 54.13 51.05 1c12 s LEU 424 Cb -0.26 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1c12 s LEU 424 CO 0.32 -0.51 0.67 0.00 0.23 0.00 0.00 176.35 177.05 1c12 s ALA 425 N 0.48 3.54 0.67 4.21 0.00 -1.26 -0.78 121.76 128.61 1c12 s ALA 425 Ca 0.13 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 1c12 s ALA 425 Cb -0.20 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1c12 s ALA 425 CO -0.04 -0.18 1.26 -1.25 0.00 0.00 0.00 175.76 175.55 1c12 s PRO 426 N -4.51 2.43 -0.08 0.00 0.04 -1.26 -4.93 135.00 126.70 1c12 s PRO 426 Ca 0.44 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1c12 s PRO 426 Cb -0.10 -1.85 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1c12 s PRO 426 CO 0.40 -1.66 0.96 0.41 0.04 0.00 0.00 177.00 177.15 1c12 n GLY 427 N 0.71 2.13 1.24 0.56 0.00 -1.26 -4.42 105.19 104.15 1c12 n GLY 427 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1c12 n GLY 427 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c12 n SER 428 N 0.13 -1.20 -3.63 1.61 7.64 -1.26 -5.08 113.62 111.83 1c12 n SER 428 Ca 0.10 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.81 1c12 n SER 428 Cb 0.59 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1c12 n SER 428 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1c12 s LYS 429 N -2.09 1.58 -0.30 1.43 1.02 -1.26 -5.15 119.74 114.98 1c12 s LYS 429 Ca 0.00 -1.90 -0.29 0.00 0.02 0.00 0.00 55.97 53.81 1c12 s LYS 429 Cb 0.00 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1c12 s LYS 429 CO 0.00 -0.57 1.78 0.00 -0.92 0.00 0.00 175.35 175.64 1c12 s ALA 430 N -3.67 2.95 0.00 5.17 0.00 -1.26 -4.94 121.76 120.02 1c12 s ALA 430 Ca 0.40 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1c12 s ALA 430 Cb 0.04 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1c12 s ALA 430 CO 0.23 -2.49 0.00 0.00 0.00 0.00 0.00 175.76 173.50 1c12 n ALA 432 N 9.94 0.00 -3.25 0.00 0.00 -1.26 -5.09 120.51 120.84 1c12 n ALA 432 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1c12 n ALA 432 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1c12 n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c12 n ALA 433 N -3.00 0.00 0.52 0.00 0.00 -1.26 -5.02 120.51 111.75 1c12 n ALA 433 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1c12 n ALA 433 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 1c12 n ALA 433 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1c12 n SER 434 N -0.35 0.00 -4.17 0.00 3.41 -1.26 -4.63 113.62 106.62 1c12 n SER 434 Ca 0.00 0.48 -0.25 0.00 -0.26 0.00 0.00 58.87 58.84 1c12 n SER 434 Cb 0.00 -0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 63.31 1c12 n SER 434 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1c12 s MET 435 N -2.98 1.39 0.07 4.33 -1.94 -1.26 -0.81 119.30 118.10 1c12 s MET 435 Ca 0.08 -0.67 0.09 0.00 -1.71 0.00 0.00 55.69 53.47 1c12 s MET 435 Cb 0.10 -1.36 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 1c12 s MET 435 CO 0.27 0.37 -0.23 0.08 -0.01 0.00 0.00 175.02 175.50 1c12 s VAL 436 N -0.48 2.44 -0.15 -6.03 1.01 -0.09 -4.77 120.40 112.32 1c12 s VAL 436 Ca 0.07 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1c12 s VAL 436 Cb -0.07 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1c12 s VAL 436 CO -0.00 0.28 -0.19 -0.89 0.00 0.00 0.00 175.10 174.30 1c12 s THR 437 N -0.92 1.87 0.28 3.92 2.01 -1.26 -1.90 115.64 119.63 1c12 s THR 437 Ca 0.14 -0.84 0.10 0.00 0.31 0.00 0.00 61.69 61.40 1c12 s THR 437 Cb -0.10 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1c12 s THR 437 CO 0.05 0.51 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.66 1c12 s LEU 438 N 1.16 2.97 0.25 4.42 1.43 -0.57 -4.57 118.68 123.77 1c12 s LEU 438 Ca 0.00 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1c12 s LEU 438 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1c12 s LEU 438 CO -0.08 -0.01 0.15 -0.83 0.23 0.00 0.00 176.35 175.81 1c12 s GLY 439 N -3.62 1.75 -0.15 -3.19 0.00 0.04 -1.76 107.32 100.39 1c12 s GLY 439 Ca 0.31 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 1c12 s GLY 439 CO 0.18 -1.48 0.24 0.00 0.00 0.00 0.00 173.10 172.04 1c12 s LEU 441 N 2.37 3.92 -0.37 0.00 2.96 0.83 -1.81 118.68 126.58 1c12 s LEU 441 Ca 0.04 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1c12 s LEU 441 Cb -0.13 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.54 1c12 s LEU 441 CO -0.10 -0.05 0.15 -0.69 -1.32 0.00 0.00 176.35 174.34 1c12 s VAL 442 N 1.73 3.54 0.19 1.68 1.01 0.69 -0.00 120.40 129.23 1c12 s VAL 442 Ca 0.07 -1.55 0.07 0.00 0.00 0.00 0.00 61.98 60.58 1c12 s VAL 442 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1c12 s VAL 442 CO 0.10 -0.40 -0.14 -1.59 0.00 0.00 0.00 175.10 173.07 1c12 s LYS 443 N 1.29 1.28 -1.23 2.72 -2.85 -0.09 -0.15 119.74 120.71 1c12 s LYS 443 Ca 0.02 -1.55 -0.01 0.00 -1.00 0.00 0.00 55.97 53.43 1c12 s LYS 443 Cb -0.21 -1.07 -0.00 0.00 -2.06 0.00 0.00 37.83 34.49 1c12 s LYS 443 CO -0.01 0.18 0.90 0.41 0.10 0.00 0.00 175.35 176.93 1c12 n GLY 444 N -0.29 -0.38 3.40 0.59 0.00 0.41 -1.75 105.19 107.16 1c12 n GLY 444 Ca -0.09 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1c12 n GLY 444 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c12 s TYR 445 N -3.46 2.16 -0.27 1.61 -0.85 -0.77 -4.56 117.35 111.20 1c12 s TYR 445 Ca 0.03 -0.39 -0.23 0.00 -0.52 0.00 0.00 57.07 55.96 1c12 s TYR 445 Cb -0.00 -1.06 0.08 0.00 0.38 0.00 0.00 41.96 41.35 1c12 s TYR 445 CO 0.76 0.47 0.73 0.12 -1.52 0.00 0.00 175.55 176.11 1c12 s PHE 446 N -1.86 -0.84 0.41 -3.49 2.19 0.12 0.11 117.98 114.63 1c12 s PHE 446 Ca 0.20 1.93 0.03 0.00 0.33 0.00 0.00 56.93 59.42 1c12 s PHE 446 Cb -0.07 0.37 0.08 0.00 -1.31 0.00 0.00 43.02 42.08 1c12 s PHE 446 CO 0.09 -0.41 0.57 -0.35 1.83 0.00 0.00 175.22 176.95 1c12 n PRO 447 N 3.08 0.44 -1.91 10.12 -0.04 -1.26 0.12 135.00 145.55 1c12 n PRO 447 Ca -0.15 -1.82 -0.31 0.00 -0.04 0.00 0.00 63.50 61.17 1c12 n PRO 447 Cb 0.56 -0.29 0.01 0.00 -0.04 0.00 0.00 33.50 33.74 1c12 n PRO 447 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1c12 s GLU 448 N -3.88 3.44 0.00 0.54 1.03 -1.26 -4.78 118.70 113.78 1c12 s GLU 448 Ca 0.40 0.91 0.00 0.00 0.03 0.00 0.00 54.97 56.31 1c12 s GLU 448 Cb -0.03 -2.06 0.00 0.00 -0.80 0.00 0.00 34.13 31.24 1c12 s GLU 448 CO 0.26 -0.70 0.00 -0.35 -1.33 0.00 0.00 175.26 173.14 1c12 n PRO 449 N -2.54 2.19 -3.83 -4.83 -0.04 -1.26 -5.01 135.00 119.68 1c12 n PRO 449 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1c12 n PRO 449 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1c12 n PRO 449 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1c12 s VAL 450 N 1.52 0.03 -0.24 0.52 -7.23 -1.26 -4.54 120.40 109.20 1c12 s VAL 450 Ca 0.00 -0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.81 1c12 s VAL 450 Cb 0.00 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1c12 s VAL 450 CO 0.00 -0.16 0.07 -0.89 -0.31 0.00 0.00 175.10 173.82 1c12 s THR 451 N -0.53 4.44 -0.18 5.32 2.01 -0.28 -4.96 115.64 121.47 1c12 s THR 451 Ca -0.06 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1c12 s THR 451 Cb -0.04 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.42 1c12 s THR 451 CO 0.01 0.36 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 1c12 s VAL 452 N 1.38 2.33 0.09 3.82 1.01 -1.26 -1.13 120.40 126.64 1c12 s VAL 452 Ca 0.05 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1c12 s VAL 452 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1c12 s VAL 452 CO 0.04 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 175.94 1c12 s THR 453 N 1.26 1.11 -0.19 3.92 -4.23 -0.65 -4.99 115.64 111.88 1c12 s THR 453 Ca 0.04 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1c12 s THR 453 Cb -0.14 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 1c12 s THR 453 CO -0.10 -0.34 -0.07 0.26 -0.54 0.00 0.00 174.62 173.83 1c12 s TRP 454 N -1.72 2.92 0.00 3.99 0.52 -1.26 0.12 118.94 123.51 1c12 s TRP 454 Ca 0.02 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1c12 s TRP 454 Cb -0.07 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1c12 s TRP 454 CO 0.02 -0.40 0.00 -1.71 0.02 0.00 0.00 176.95 174.88 1c12 n ASN 455 N 4.29 0.00 0.00 2.95 2.85 0.07 -1.83 115.26 123.59 1c12 n ASN 455 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1c12 n ASN 455 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1c12 n ASN 455 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1c12 n SER 456 N -0.59 0.00 0.00 1.20 7.64 -1.26 -3.25 113.62 117.36 1c12 n SER 456 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1c12 n SER 456 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c12 n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c12 n GLY 457 N 0.00 0.42 0.26 0.23 0.00 -0.76 -4.95 105.19 100.39 1c12 n GLY 457 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1c12 n GLY 457 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1c12 h SER 458 N 0.00 0.00 -3.46 1.61 4.64 -1.65 -3.40 113.55 111.29 1c12 h SER 458 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 1c12 h SER 458 Cb 0.00 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.88 1c12 h SER 458 CO 0.00 0.00 -0.41 -0.76 -0.87 0.00 0.00 176.83 174.79 1c12 s LEU 459 N -5.89 5.22 -0.07 5.97 1.43 -1.14 -4.90 118.68 119.30 1c12 s LEU 459 Ca 0.00 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1c12 s LEU 459 Cb 0.10 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1c12 s LEU 459 CO 0.49 -0.49 -0.05 -1.20 0.23 0.00 0.00 176.35 175.33 1c12 n SER 460 N 5.16 3.47 -4.79 2.29 7.64 -1.26 -4.38 113.62 121.76 1c12 n SER 460 Ca -0.11 -0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.38 1c12 n SER 460 Cb 0.46 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 1c12 n SER 460 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1c12 s SER 461 N -4.52 6.72 -1.37 6.43 0.01 -1.26 -3.71 113.70 116.00 1c12 s SER 461 Ca -0.08 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1c12 s SER 461 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1c12 s SER 461 CO 0.18 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1c12 n GLY 462 N 0.09 1.33 3.67 3.44 0.00 -1.26 -4.58 105.19 107.88 1c12 n GLY 462 Ca 0.06 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1c12 n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c12 s VAL 463 N -2.33 5.34 -0.24 1.61 1.01 -1.24 -1.85 120.40 122.69 1c12 s VAL 463 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1c12 s VAL 463 Cb 0.00 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1c12 s VAL 463 CO 0.00 0.34 -0.06 -1.00 0.00 0.00 0.00 175.10 174.38 1c12 s HIS 464 N 1.00 2.59 -0.42 5.22 3.76 0.95 -4.97 115.29 123.42 1c12 s HIS 464 Ca 0.10 -1.90 -0.11 0.00 -0.15 0.00 0.00 55.06 52.99 1c12 s HIS 464 Cb -0.13 -1.69 0.06 0.00 1.11 0.00 0.00 32.58 31.93 1c12 s HIS 464 CO 0.04 -0.80 0.28 0.99 -0.85 0.00 0.00 174.74 174.40 1c12 s THR 465 N 1.33 4.60 0.42 1.30 2.01 -1.26 -0.77 115.64 123.26 1c12 s THR 465 Ca -0.06 -1.14 -0.23 0.00 0.31 0.00 0.00 61.69 60.58 1c12 s THR 465 Cb -0.19 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 1c12 s THR 465 CO -0.06 -0.44 1.04 -0.36 -0.69 0.00 0.00 174.62 174.11 1c12 s PHE 466 N 1.52 3.23 0.79 4.92 0.08 -0.79 -5.02 117.98 122.71 1c12 s PHE 466 Ca 0.03 1.63 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 1c12 s PHE 466 Cb -0.22 -3.09 0.07 0.00 -0.57 0.00 0.00 43.02 39.22 1c12 s PHE 466 CO 0.05 -0.60 1.16 -1.25 -0.10 0.00 0.00 175.22 174.47 1c12 s PRO 467 N -2.69 1.87 0.26 0.24 0.04 -1.26 -4.41 135.00 129.04 1c12 s PRO 467 Ca 0.60 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 1c12 s PRO 467 Cb -0.20 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1c12 s PRO 467 CO 0.25 -2.00 0.84 0.00 0.04 0.00 0.00 177.00 176.13 1c12 s ALA 468 N -2.39 3.33 0.08 8.56 0.00 -1.26 -4.82 121.76 125.27 1c12 s ALA 468 Ca 0.69 0.38 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1c12 s ALA 468 Cb -0.24 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1c12 s ALA 468 CO 0.51 0.25 -0.21 0.14 0.00 0.00 0.00 175.76 176.45 1c12 s VAL 469 N -1.48 1.68 0.51 0.00 -7.23 -1.17 -4.97 120.40 107.74 1c12 s VAL 469 Ca 0.45 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 58.98 1c12 s VAL 469 Cb -0.19 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.16 1c12 s VAL 469 CO 0.24 0.01 1.07 -0.76 -0.31 0.00 0.00 175.10 175.34 1c12 s LEU 470 N -1.69 3.81 -0.32 1.32 2.01 -1.26 -2.94 118.68 119.61 1c12 s LEU 470 Ca 0.06 2.00 0.04 0.00 0.01 0.00 0.00 54.13 56.25 1c12 s LEU 470 Cb -0.10 -4.57 0.18 0.00 0.01 0.00 0.00 46.19 41.71 1c12 s LEU 470 CO 0.03 -0.92 0.50 -1.58 1.01 0.00 0.00 176.35 175.39 1c12 s GLN 471 N -3.27 0.55 -1.41 1.70 0.74 -0.45 -4.91 119.66 112.61 1c12 s GLN 471 Ca 0.69 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 1c12 s GLN 471 Cb -0.19 -0.11 0.03 0.00 1.10 0.00 0.00 33.01 33.85 1c12 s GLN 471 CO 0.22 -1.08 0.76 0.43 -0.55 0.00 0.00 175.29 175.07 1c12 n SER 472 N 5.11 -2.34 0.00 6.67 7.64 -1.26 -1.83 113.62 127.61 1c12 n SER 472 Ca 0.05 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1c12 n SER 472 Cb 0.52 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1c12 n SER 472 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1c12 n ASP 473 N -2.96 -2.56 -4.29 6.43 8.00 -1.26 -5.01 116.55 114.89 1c12 n ASP 473 Ca -0.18 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.09 1c12 n ASP 473 Cb 0.62 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 1c12 n ASP 473 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1c12 s LEU 474 N 0.00 2.32 0.49 0.64 1.02 -0.76 -4.90 118.68 117.48 1c12 s LEU 474 Ca 0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.40 1c12 s LEU 474 Cb 0.00 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.30 1c12 s LEU 474 CO 0.00 0.05 0.78 -0.31 0.02 0.00 0.00 176.35 176.89 1c12 s TYR 475 N -1.27 3.49 -0.20 0.29 2.02 0.30 -1.33 117.35 120.65 1c12 s TYR 475 Ca 0.08 0.72 -0.09 0.00 -0.37 0.00 0.00 57.07 57.40 1c12 s TYR 475 Cb -0.09 -2.33 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 1c12 s TYR 475 CO 0.05 -0.33 0.46 0.99 -1.57 0.00 0.00 175.55 175.14 1c12 s THR 476 N -2.74 -0.30 0.12 -0.71 2.01 -1.15 -0.45 115.64 112.42 1c12 s THR 476 Ca 0.48 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1c12 s THR 476 Cb -0.10 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1c12 s THR 476 CO 0.44 0.04 0.07 -1.48 -0.69 0.00 0.00 174.62 173.00 1c12 s LEU 477 N 1.94 1.82 0.06 4.42 0.05 0.79 -3.03 118.68 124.72 1c12 s LEU 477 Ca -0.07 -1.11 -0.03 0.00 0.05 0.00 0.00 54.13 52.97 1c12 s LEU 477 Cb -0.09 0.40 -0.03 0.00 -2.05 0.00 0.00 46.19 44.42 1c12 s LEU 477 CO -0.14 -0.72 0.03 -0.94 -0.55 0.00 0.00 176.35 174.03 1c12 s SER 478 N -3.01 0.36 0.01 1.48 1.04 -1.26 -0.22 113.70 112.11 1c12 s SER 478 Ca 0.19 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 1c12 s SER 478 Cb 0.07 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1c12 s SER 478 CO -0.01 -0.61 -0.01 -0.55 0.98 0.00 0.00 173.24 173.03 1c12 s SER 479 N -2.77 0.17 0.05 7.02 0.15 -0.75 -1.89 113.70 115.67 1c12 s SER 479 Ca 0.04 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1c12 s SER 479 Cb 0.06 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1c12 s SER 479 CO -0.09 -0.23 -0.12 -0.94 1.20 0.00 0.00 173.24 173.06 1c12 s SER 480 N -1.08 1.42 -0.04 5.45 1.04 0.05 -1.01 113.70 119.53 1c12 s SER 480 Ca -0.12 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1c12 s SER 480 Cb -0.07 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1c12 s SER 480 CO -0.01 -0.04 -0.09 0.54 0.98 0.00 0.00 173.24 174.62 1c12 s VAL 481 N -1.01 0.82 -0.37 5.02 0.11 -0.72 -0.03 120.40 124.21 1c12 s VAL 481 Ca -0.02 -0.34 -0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1c12 s VAL 481 Cb -0.08 -0.75 0.07 0.00 -1.53 0.00 0.00 36.38 34.08 1c12 s VAL 481 CO 0.01 0.27 0.16 0.42 -3.33 0.00 0.00 175.10 172.63 1c12 s THR 482 N 0.48 3.67 0.18 5.04 -4.23 -0.77 -1.52 115.64 118.48 1c12 s THR 482 Ca -0.08 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1c12 s THR 482 Cb -0.12 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1c12 s THR 482 CO 0.01 -0.39 -0.15 0.68 -0.54 0.00 0.00 174.62 174.24 1c12 s VAL 483 N 1.32 2.91 0.54 2.29 -7.23 -0.80 -4.69 120.40 114.74 1c12 s VAL 483 Ca 0.01 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.23 1c12 s VAL 483 Cb -0.21 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1c12 s VAL 483 CO 0.00 -0.08 1.17 -2.65 -0.31 0.00 0.00 175.10 173.22 1c12 n PRO 484 N 0.20 1.37 0.31 4.82 -0.02 -1.26 -0.92 135.00 139.49 1c12 n PRO 484 Ca -0.12 0.51 0.21 0.00 -2.02 0.00 0.00 63.50 62.07 1c12 n PRO 484 Cb 0.55 -2.34 1.06 0.00 -0.02 0.00 0.00 33.50 32.75 1c12 n PRO 484 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1c12 h SER 485 N 1.14 0.00 -0.01 2.55 0.02 -1.23 -2.81 113.55 113.21 1c12 h SER 485 Ca -0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 1c12 h SER 485 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1c12 h SER 485 CO 0.55 0.00 -0.21 0.28 -1.14 0.00 0.00 176.83 176.31 1c12 h SER 486 N 0.00 0.21 -0.09 3.07 0.02 -1.90 -3.38 113.55 111.48 1c12 h SER 486 Ca 0.00 -0.75 0.01 0.00 -0.84 0.00 0.00 61.79 60.21 1c12 h SER 486 Cb 0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1c12 h SER 486 CO 0.00 0.92 -0.12 -0.65 -1.14 0.00 0.00 176.83 175.84 1c12 h PRO 487 N -0.49 -0.08 -6.60 3.45 0.11 -1.86 -3.40 132.00 123.12 1c12 h PRO 487 Ca -0.02 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.58 1c12 h PRO 487 Cb 0.95 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1c12 h PRO 487 CO 0.04 -0.05 0.20 0.50 -0.21 0.00 0.00 178.00 178.48 1c12 s ARG 488 N -3.57 4.53 0.00 1.05 3.00 -1.25 0.18 118.95 122.89 1c12 s ARG 488 Ca -0.03 1.15 0.26 0.00 -1.00 0.00 0.00 55.73 56.11 1c12 s ARG 488 Cb 0.02 -3.12 0.63 0.00 0.00 0.00 0.00 34.95 32.48 1c12 s ARG 488 CO 0.13 0.49 1.50 -0.35 0.00 0.00 0.00 175.30 177.07 1c12 n PRO 489 N 1.26 1.67 0.08 5.12 -0.04 -1.26 -4.85 135.00 136.98 1c12 n PRO 489 Ca -0.04 -1.17 0.07 0.00 -0.04 0.00 0.00 63.50 62.33 1c12 n PRO 489 Cb 0.49 -1.48 0.52 0.00 -0.04 0.00 0.00 33.50 33.00 1c12 n PRO 489 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c12 h SER 490 N 2.85 0.27 -3.82 3.54 4.64 -1.47 -3.27 113.55 116.30 1c12 h SER 490 Ca 0.00 -0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.61 1c12 h SER 490 Cb 0.67 -0.06 -0.34 0.00 -0.31 0.00 0.00 62.40 62.36 1c12 h SER 490 CO 0.00 0.19 -0.40 -1.61 -0.87 0.00 0.00 176.83 174.14 1c12 s GLU 491 N -5.31 2.44 0.25 4.77 2.02 0.47 -5.07 118.70 118.28 1c12 s GLU 491 Ca -0.07 -2.22 -0.28 0.00 0.02 0.00 0.00 54.97 52.43 1c12 s GLU 491 Cb 0.18 -3.75 -0.15 0.00 0.10 0.00 0.00 34.13 30.50 1c12 s GLU 491 CO 0.71 -1.15 0.73 0.25 0.02 0.00 0.00 175.26 175.82 1c12 n THR 492 N 4.02 1.97 -4.00 3.63 -2.24 -1.23 -4.13 114.28 112.29 1c12 n THR 492 Ca 0.03 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 1c12 n THR 492 Cb 0.40 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 1c12 n THR 492 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c12 s VAL 493 N -1.06 1.98 -0.12 2.28 1.01 -1.26 -4.99 120.40 118.25 1c12 s VAL 493 Ca 0.61 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1c12 s VAL 493 Cb -0.81 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1c12 s VAL 493 CO 0.58 -0.27 -0.02 -0.89 0.00 0.00 0.00 175.10 174.50 1c12 s THR 494 N 1.13 4.06 -0.18 3.92 2.01 -1.26 -1.41 115.64 123.91 1c12 s THR 494 Ca -0.01 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1c12 s THR 494 Cb -0.19 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1c12 s THR 494 CO -0.07 0.55 0.23 0.00 -0.69 0.00 0.00 174.62 174.64 1c12 s ASN 496 N 0.49 5.22 -0.18 0.00 -0.87 0.12 -1.44 114.94 118.28 1c12 s ASN 496 Ca 0.13 -1.64 -0.06 0.00 -1.57 0.00 0.00 52.86 49.73 1c12 s ASN 496 Cb -0.12 -1.83 -0.03 0.00 -0.02 0.00 0.00 41.25 39.25 1c12 s ASN 496 CO 0.02 -0.44 0.02 -0.69 -2.57 0.00 0.00 177.10 173.44 1c12 s VAL 497 N 1.25 4.37 -0.05 1.60 1.01 -0.18 -1.63 120.40 126.76 1c12 s VAL 497 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1c12 s VAL 497 Cb -0.22 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1c12 s VAL 497 CO -0.02 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 1c12 s ALA 498 N 0.55 1.33 -0.28 5.51 0.00 -0.28 -0.36 121.76 128.23 1c12 s ALA 498 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1c12 s ALA 498 Cb -0.13 -0.51 0.07 0.00 0.00 0.00 0.00 23.12 22.55 1c12 s ALA 498 CO 0.02 0.19 -0.08 -1.58 0.00 0.00 0.00 175.76 174.31 1c12 s HIS 499 N 0.31 3.36 0.06 0.00 2.46 -0.30 -1.12 115.29 120.06 1c12 s HIS 499 Ca -0.08 -2.44 -0.30 0.00 0.47 0.00 0.00 55.06 52.70 1c12 s HIS 499 Cb -0.13 -2.13 -0.18 0.00 -0.13 0.00 0.00 32.58 30.02 1c12 s HIS 499 CO 0.03 -0.89 1.53 -1.00 -2.47 0.00 0.00 174.74 171.94 1c12 h PRO 500 N 7.75 -0.69 0.00 2.88 0.13 -1.82 -1.36 132.00 138.89 1c12 h PRO 500 Ca -0.16 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1c12 h PRO 500 Cb 1.04 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1c12 h PRO 500 CO 0.47 -0.42 0.62 0.00 -0.23 0.00 0.00 178.00 178.44 1c12 h ALA 501 N -0.37 1.55 0.00 -0.56 0.00 -1.91 0.35 119.26 118.33 1c12 h ALA 501 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c12 h ALA 501 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1c12 h ALA 501 CO 0.12 -0.55 0.00 -1.13 0.00 0.00 0.00 179.25 177.69 1c12 n SER 502 N -2.37 1.34 -3.72 0.00 3.41 -1.19 -4.97 113.62 106.12 1c12 n SER 502 Ca -0.01 -1.66 -0.25 0.00 -0.26 0.00 0.00 58.87 56.69 1c12 n SER 502 Cb 0.64 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1c12 n SER 502 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1c12 n SER 503 N -0.33 -2.86 -4.28 4.04 7.64 0.12 -4.98 113.62 112.98 1c12 n SER 503 Ca 0.00 -0.92 -0.31 0.00 1.01 0.00 0.00 58.87 58.65 1c12 n SER 503 Cb 0.32 -3.68 -0.16 0.00 -1.01 0.00 0.00 64.21 59.68 1c12 n SER 503 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1c12 s THR 504 N -3.64 2.01 -0.23 0.44 2.01 -0.54 -5.02 115.64 110.66 1c12 s THR 504 Ca 0.21 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1c12 s THR 504 Cb -0.07 -1.68 0.08 0.00 0.01 0.00 0.00 72.50 70.85 1c12 s THR 504 CO 0.84 0.56 0.10 -0.54 -0.69 0.00 0.00 174.62 174.90 1c12 s LYS 505 N -0.41 0.20 -0.15 4.92 1.02 -1.26 -1.15 119.74 122.91 1c12 s LYS 505 Ca 0.04 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1c12 s LYS 505 Cb -0.11 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1c12 s LYS 505 CO 0.01 -0.83 -0.03 0.08 -0.92 0.00 0.00 175.35 173.66 1c12 s VAL 506 N 2.07 3.96 -0.33 3.17 1.01 0.52 -5.01 120.40 125.79 1c12 s VAL 506 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1c12 s VAL 506 Cb -0.16 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1c12 s VAL 506 CO -0.21 0.50 0.05 -1.81 0.00 0.00 0.00 175.10 173.63 1c12 s ASP 507 N 0.24 4.88 -0.28 3.32 -0.00 -1.26 -1.01 116.67 122.56 1c12 s ASP 507 Ca -0.02 -1.72 -0.03 0.00 -0.00 0.00 0.00 52.55 50.78 1c12 s ASP 507 Cb -0.14 -1.69 0.03 0.00 -0.00 0.00 0.00 42.92 41.12 1c12 s ASP 507 CO 0.03 -0.35 0.00 -0.75 -0.00 0.00 0.00 175.17 174.10 1c12 s LYS 508 N 1.11 2.75 0.18 8.23 2.47 -0.52 -4.95 119.74 129.01 1c12 s LYS 508 Ca 0.02 -1.06 -0.30 0.00 -1.56 0.00 0.00 55.97 53.07 1c12 s LYS 508 Cb -0.20 -3.17 -0.08 0.00 -1.46 0.00 0.00 37.83 32.92 1c12 s LYS 508 CO -0.04 -0.50 1.05 0.21 0.16 0.00 0.00 175.35 176.22 1c12 s LYS 509 N 1.35 4.66 -0.71 4.03 2.20 -1.26 -1.68 119.74 128.32 1c12 s LYS 509 Ca -0.01 1.64 -0.20 0.00 -0.36 0.00 0.00 55.97 57.03 1c12 s LYS 509 Cb -0.18 -3.29 0.10 0.00 -1.51 0.00 0.00 37.83 32.95 1c12 s LYS 509 CO -0.01 0.18 0.92 0.42 -0.36 0.00 0.00 175.35 176.51 1c12 s ILE 510 N -0.43 4.61 -0.01 5.43 -1.09 -0.50 -4.87 121.20 124.34 1c12 s ILE 510 Ca 0.47 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 1c12 s ILE 510 Cb -0.28 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 35.92 1c12 s ILE 510 CO 0.34 -1.36 0.15 0.68 -1.23 0.00 0.00 174.94 173.52 1c12 s VAL 511 N 3.19 5.26 0.42 2.92 -7.23 -1.26 -4.66 120.40 119.03 1c12 s VAL 511 Ca 0.21 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.92 1c12 s VAL 511 Cb -0.16 -3.44 -0.09 0.00 0.56 0.00 0.00 36.38 33.25 1c12 s VAL 511 CO 0.03 0.34 1.42 -2.65 -0.31 0.00 0.00 175.10 173.94 1c12 n PRO 512 N 1.05 2.32 0.00 4.82 -0.02 -1.26 -4.74 135.00 137.17 1c12 n PRO 512 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1c12 n PRO 512 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1c12 n PRO 512 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87