#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pck s ALA 302 N 0.00 2.60 0.02 3.55 0.00 -1.26 -5.08 121.76 121.59 3pck s ALA 302 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3pck s ALA 302 Cb 0.00 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3pck s ALA 302 CO 0.00 -1.33 -0.04 -0.65 0.00 0.00 0.00 175.76 173.74 3pck s GLN 303 N -5.14 0.33 -1.17 0.00 -0.21 -1.26 -5.09 119.66 107.12 3pck s GLN 303 Ca 0.59 -0.59 -0.21 0.00 0.02 0.00 0.00 55.36 55.16 3pck s GLN 303 Cb -0.13 0.04 -0.00 0.00 1.00 0.00 0.00 33.01 33.91 3pck s GLN 303 CO 0.54 -0.03 1.80 0.34 -2.12 0.00 0.00 175.29 175.82 3pck s ASP 304 N -1.38 5.93 0.00 5.90 2.15 -1.26 -4.60 116.67 123.41 3pck s ASP 304 Ca -0.14 -1.82 0.02 0.00 0.43 0.00 0.00 52.55 51.04 3pck s ASP 304 Cb -0.09 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3pck s ASP 304 CO -0.01 -2.10 0.60 -0.46 -0.17 0.00 0.00 175.17 173.03 3pck n ASN 305 N 11.31 1.23 -4.17 -0.34 0.23 -1.26 -5.03 115.26 117.23 3pck n ASN 305 Ca 0.44 -1.15 -0.16 0.00 -0.53 0.00 0.00 54.58 53.18 3pck n ASN 305 Cb 0.47 -0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.05 3pck n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pck s SER 306 N -0.22 1.55 0.08 0.53 0.01 -1.26 -3.77 113.70 110.62 3pck s SER 306 Ca 0.02 -0.72 0.09 0.00 1.31 0.00 0.00 55.95 56.66 3pck s SER 306 Cb 0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 3pck s SER 306 CO 0.02 -0.17 -0.25 -0.13 0.41 0.00 0.00 173.24 173.12 3pck s ARG 307 N -2.29 1.54 -0.07 12.44 1.81 0.35 -4.84 118.95 127.90 3pck s ARG 307 Ca 0.02 -1.17 0.04 0.00 -1.72 0.00 0.00 55.73 52.89 3pck s ARG 307 Cb -0.06 -1.83 -0.02 0.00 -0.45 0.00 0.00 34.95 32.59 3pck s ARG 307 CO 0.01 0.46 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.84 3pck s PHE 308 N -0.92 2.62 0.30 -0.53 0.40 -1.26 -0.22 117.98 118.38 3pck s PHE 308 Ca 0.11 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 3pck s PHE 308 Cb -0.10 -1.67 -0.13 0.00 0.51 0.00 0.00 43.02 41.63 3pck s PHE 308 CO 0.04 -0.09 1.23 0.28 0.70 0.00 0.00 175.22 177.37 3pck n VAL 309 N 2.90 1.79 -1.88 -0.44 0.31 0.03 -4.89 118.33 116.15 3pck n VAL 309 Ca -0.18 -0.45 -0.40 0.00 -0.01 0.00 0.00 64.34 63.31 3pck n VAL 309 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3pck n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pck s ILE 310 N -0.88 2.23 0.37 2.52 -1.09 -1.26 -4.71 121.20 118.38 3pck s ILE 310 Ca 0.59 0.22 -0.26 0.00 -2.23 0.00 0.00 60.65 58.97 3pck s ILE 310 Cb -0.63 -3.13 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 3pck s ILE 310 CO 0.59 0.04 1.14 -0.13 -1.23 0.00 0.00 174.94 175.36 3pck s ARG 311 N -2.20 4.21 -0.63 2.79 0.52 -1.26 -4.98 118.95 117.41 3pck s ARG 311 Ca 0.56 1.80 -0.20 0.00 -0.52 0.00 0.00 55.73 57.37 3pck s ARG 311 Cb -0.43 -2.79 0.09 0.00 0.52 0.00 0.00 34.95 32.34 3pck s ARG 311 CO 0.57 -0.17 0.80 0.34 0.02 0.00 0.00 175.30 176.87 3pck s ASP 312 N -1.11 6.19 0.00 0.23 -1.08 -1.26 -4.91 116.67 114.74 3pck s ASP 312 Ca 0.54 -1.31 0.22 0.00 -0.52 0.00 0.00 52.55 51.48 3pck s ASP 312 Cb -0.30 -2.34 1.32 0.00 -1.46 0.00 0.00 42.92 40.13 3pck s ASP 312 CO 0.38 -1.22 1.71 0.54 0.52 0.00 0.00 175.17 177.10 3pck n ARG 313 N 6.79 0.74 -0.04 4.34 1.74 -1.26 -1.53 116.66 127.45 3pck n ARG 313 Ca -0.07 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3pck n ARG 313 Cb 0.44 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 3pck n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pck n ASN 314 N -0.96 0.21 -0.02 0.55 3.02 -1.26 -4.44 115.26 112.36 3pck n ASN 314 Ca 0.17 0.09 -0.16 0.00 -0.03 0.00 0.00 54.58 54.65 3pck n ASN 314 Cb 0.08 1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 40.26 3pck n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pck h TRP 315 N 0.00 0.24 -4.30 3.10 2.91 -1.69 -3.44 115.95 112.76 3pck h TRP 315 Ca -0.26 -0.16 -0.51 0.00 1.13 0.00 0.00 58.89 59.09 3pck h TRP 315 Cb 1.64 -0.02 0.11 0.00 -0.51 0.00 0.00 29.16 30.39 3pck h TRP 315 CO 0.00 1.07 0.35 -1.01 -1.03 0.00 0.00 178.44 177.82 3pck s HIS 316 N -2.57 2.82 0.65 2.65 3.76 -1.02 -4.76 115.29 116.82 3pck s HIS 316 Ca -0.16 1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 56.08 3pck s HIS 316 Cb -0.01 -3.00 -0.00 0.00 1.11 0.00 0.00 32.58 30.68 3pck s HIS 316 CO 0.75 -1.51 1.17 -1.25 -0.85 0.00 0.00 174.74 173.05 3pck s PRO 317 N -4.77 2.68 0.84 8.40 0.04 -1.26 -4.82 135.00 136.11 3pck s PRO 317 Ca 0.61 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3pck s PRO 317 Cb -0.16 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.59 3pck s PRO 317 CO 0.52 -1.39 1.19 0.15 0.04 0.00 0.00 177.00 177.51 3pck s LYS 318 N -3.72 1.53 -0.07 4.56 -0.14 -1.25 -4.99 119.74 115.66 3pck s LYS 318 Ca 0.73 -0.19 -0.24 0.00 -1.36 0.00 0.00 55.97 54.91 3pck s LYS 318 Cb -0.27 -1.97 -0.20 0.00 -1.68 0.00 0.00 37.83 33.72 3pck s LYS 318 CO 0.39 -1.81 0.92 0.00 -0.76 0.00 0.00 175.35 174.09 3pck h ALA 319 N -1.16 -0.08 -2.25 5.17 0.00 -1.95 -3.42 119.26 115.58 3pck h ALA 319 Ca -0.45 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.46 3pck h ALA 319 Cb 1.29 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.92 3pck h ALA 319 CO 0.54 -0.18 -0.12 -1.17 0.00 0.00 0.00 179.25 178.31 3pck s LEU 320 N -8.81 5.02 -0.43 0.00 2.96 -1.26 -4.75 118.68 111.41 3pck s LEU 320 Ca -0.15 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 3pck s LEU 320 Cb -0.00 -2.39 0.16 0.00 0.50 0.00 0.00 46.19 44.46 3pck s LEU 320 CO 0.58 -0.71 0.31 0.42 -1.32 0.00 0.00 176.35 175.63 3pck s THR 321 N 2.25 0.75 0.63 3.68 -4.23 -1.26 -5.04 115.64 112.42 3pck s THR 321 Ca 0.12 -2.58 0.25 0.00 -1.18 0.00 0.00 61.69 58.30 3pck s THR 321 Cb -0.19 -1.52 0.30 0.00 1.34 0.00 0.00 72.50 72.42 3pck s THR 321 CO 0.12 -1.09 1.74 1.55 -0.54 0.00 0.00 174.62 176.40 3pck h PRO 322 N 6.13 0.00 0.00 3.99 0.13 -1.94 -0.43 132.00 139.89 3pck h PRO 322 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 3pck h PRO 322 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3pck h PRO 322 CO 0.40 0.00 -0.28 -0.44 -0.23 0.00 0.00 178.00 177.45 3pck h ASP 323 N 0.00 0.00 -2.49 1.44 3.32 -1.96 -3.28 116.42 113.44 3pck h ASP 323 Ca 0.11 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.43 3pck h ASP 323 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 3pck h ASP 323 CO -0.00 0.28 1.03 -0.47 -1.72 0.00 0.00 179.24 178.37 3pck s TYR 324 N -3.79 3.50 0.27 4.55 5.04 -0.17 -4.85 117.35 121.91 3pck s TYR 324 Ca -0.01 -1.99 -0.05 0.00 -2.44 0.00 0.00 57.07 52.59 3pck s TYR 324 Cb 0.11 -4.22 0.52 0.00 0.35 0.00 0.00 41.96 38.72 3pck s TYR 324 CO 0.66 -1.35 1.48 1.63 -1.34 0.00 0.00 175.55 176.63 3pck n LYS 325 N 5.46 -0.08 0.29 4.97 5.02 -1.24 -1.31 118.16 131.27 3pck n LYS 325 Ca 0.30 1.46 0.15 0.00 -2.02 0.00 0.00 58.31 58.21 3pck n LYS 325 Cb 0.44 -2.22 0.88 0.00 -0.02 0.00 0.00 35.03 34.11 3pck n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pck h THR 326 N 0.00 0.46 0.00 -0.18 2.02 -1.91 -2.75 112.91 110.55 3pck h THR 326 Ca 0.49 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3pck h THR 326 Cb 0.83 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3pck h THR 326 CO -0.95 0.04 0.00 0.77 0.37 0.00 0.00 175.52 175.75 3pck h SER 327 N 0.00 0.00 -0.18 4.18 4.64 -1.50 -3.18 113.55 117.51 3pck h SER 327 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3pck h SER 327 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3pck h SER 327 CO 0.01 0.00 0.08 0.40 -0.87 0.00 0.00 176.83 176.45 3pck h ILE 328 N 0.00 0.99 -0.00 0.95 2.04 -1.64 -2.94 117.51 116.91 3pck h ILE 328 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3pck h ILE 328 Cb 0.51 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3pck h ILE 328 CO 0.00 0.03 -0.58 0.00 0.00 0.00 0.00 178.15 177.60 3pck n ALA 329 N -2.19 3.76 -1.38 1.87 0.00 -1.23 -4.16 120.51 117.18 3pck n ALA 329 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 3pck n ALA 329 Cb 0.05 -1.05 0.21 0.00 0.00 0.00 0.00 19.45 18.66 3pck n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pck n ARG 330 N -1.44 1.94 -5.01 0.00 1.74 -1.17 -4.97 116.66 107.74 3pck n ARG 330 Ca 0.06 -3.12 -0.27 0.00 -0.77 0.00 0.00 57.85 53.75 3pck n ARG 330 Cb 0.34 -1.79 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 3pck n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pck s SER 331 N -2.53 2.42 0.47 0.55 1.04 -1.12 -4.96 113.70 109.58 3pck s SER 331 Ca 0.43 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 3pck s SER 331 Cb 0.39 -0.27 -0.07 0.00 0.10 0.00 0.00 66.02 66.17 3pck s SER 331 CO 0.01 0.25 1.23 -2.16 0.98 0.00 0.00 173.24 173.55 3pck s PRO 332 N -0.48 3.65 0.01 4.02 0.05 -1.26 -4.96 135.00 136.03 3pck s PRO 332 Ca 0.08 1.94 0.20 0.00 0.05 0.00 0.00 61.00 63.27 3pck s PRO 332 Cb -0.08 -2.43 -0.21 0.00 0.05 0.00 0.00 34.50 31.83 3pck s PRO 332 CO -0.01 -0.68 0.60 0.54 0.05 0.00 0.00 177.00 177.50 3pck n ARG 333 N -0.51 0.64 -3.03 4.56 5.12 -1.26 -4.93 116.66 117.25 3pck n ARG 333 Ca 0.07 -0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.72 3pck n ARG 333 Cb 0.47 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 3pck n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pck s GLN 334 N -3.17 3.57 0.60 5.56 -1.52 -1.26 -5.06 119.66 118.38 3pck s GLN 334 Ca -0.06 0.03 -0.17 0.00 -1.95 0.00 0.00 55.36 53.22 3pck s GLN 334 Cb 0.10 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 30.34 3pck s GLN 334 CO 0.85 0.01 1.09 0.00 -0.25 0.00 0.00 175.29 176.99 3pck s ALA 335 N -2.43 2.65 0.54 6.09 0.00 -1.26 -4.99 121.76 122.36 3pck s ALA 335 Ca 0.45 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 3pck s ALA 335 Cb -0.10 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3pck s ALA 335 CO 0.37 -0.92 1.21 -0.51 0.00 0.00 0.00 175.76 175.91 3pck s LEU 336 N -4.41 3.80 -0.31 0.00 1.43 -1.26 -5.00 118.68 112.93 3pck s LEU 336 Ca 0.67 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 56.04 3pck s LEU 336 Cb -0.19 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 3pck s LEU 336 CO 0.35 -1.35 0.22 -0.69 0.23 0.00 0.00 176.35 175.11 3pck s VAL 337 N -1.57 5.29 0.22 -1.59 1.01 -1.26 -5.06 120.40 117.44 3pck s VAL 337 Ca 0.72 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3pck s VAL 337 Cb -0.30 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3pck s VAL 337 CO 0.35 0.13 0.97 -0.44 0.00 0.00 0.00 175.10 176.10 3pck s SER 338 N 1.74 7.57 -0.01 3.32 0.01 -1.26 -5.05 113.70 120.02 3pck s SER 338 Ca 0.07 1.96 0.02 0.00 1.31 0.00 0.00 55.95 59.30 3pck s SER 338 Cb -0.17 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 3pck s SER 338 CO 0.11 0.07 -0.06 0.27 0.41 0.00 0.00 173.24 174.04 3pck s ILE 339 N -0.91 0.45 0.75 1.44 -4.36 -1.26 -5.15 121.20 112.16 3pck s ILE 339 Ca 0.43 -0.23 -0.15 0.00 -0.26 0.00 0.00 60.65 60.44 3pck s ILE 339 Cb -0.26 -0.39 0.05 0.00 1.25 0.00 0.00 42.46 43.11 3pck s ILE 339 CO 0.33 0.13 1.22 -2.16 0.24 0.00 0.00 174.94 174.70 3pck s PRO 340 N -0.07 1.99 0.21 0.37 0.04 -1.26 -4.98 135.00 131.30 3pck s PRO 340 Ca 0.01 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3pck s PRO 340 Cb -0.03 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 3pck s PRO 340 CO -0.00 -1.96 0.95 -0.65 0.04 0.00 0.00 177.00 175.38 3pck s GLN 341 N -3.93 4.81 0.38 4.56 -0.21 -1.26 -5.01 119.66 119.01 3pck s GLN 341 Ca 0.75 1.50 0.04 0.00 0.02 0.00 0.00 55.36 57.67 3pck s GLN 341 Cb -0.30 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 3pck s GLN 341 CO 0.47 0.44 0.14 -1.54 -2.12 0.00 0.00 175.29 172.68 3pck s SER 342 N -0.91 2.51 0.55 5.90 1.04 -1.26 -5.00 113.70 116.52 3pck s SER 342 Ca 0.42 -1.65 0.24 0.00 0.48 0.00 0.00 55.95 55.44 3pck s SER 342 Cb -0.26 0.47 1.46 0.00 0.10 0.00 0.00 66.02 67.79 3pck s SER 342 CO 0.32 -0.92 2.08 -0.29 0.98 0.00 0.00 173.24 175.41 3pck h ILE 343 N 1.89 0.71 -0.75 -1.02 2.10 -1.95 0.50 117.51 118.99 3pck h ILE 343 Ca -0.34 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.59 3pck h ILE 343 Cb 1.27 0.85 -0.04 0.00 -1.09 0.00 0.00 36.82 37.80 3pck h ILE 343 CO 0.55 0.00 0.42 0.28 -1.08 0.00 0.00 178.15 178.32 3pck h SER 344 N 0.00 0.91 0.11 2.19 0.02 -1.96 -3.20 113.55 111.62 3pck h SER 344 Ca 0.12 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 3pck h SER 344 Cb 0.54 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3pck h SER 344 CO -0.00 0.72 -2.05 -0.62 -1.14 0.00 0.00 176.83 173.75 3pck n GLU 345 N -4.37 0.66 -0.12 3.45 4.71 0.04 -4.48 120.64 120.53 3pck n GLU 345 Ca 0.08 -0.08 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 3pck n GLU 345 Cb 0.09 -1.56 0.29 0.00 -1.01 0.00 0.00 31.44 29.24 3pck n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pck n THR 346 N -2.52 0.32 -4.51 2.62 -2.24 -0.43 -2.85 114.28 104.67 3pck n THR 346 Ca -0.15 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.83 3pck n THR 346 Cb 0.81 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 3pck n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pck s THR 347 N -1.68 2.25 0.02 4.28 -4.23 -1.21 -4.73 115.64 110.34 3pck s THR 347 Ca 0.35 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.47 3pck s THR 347 Cb 0.20 -2.77 0.11 0.00 1.34 0.00 0.00 72.50 71.38 3pck s THR 347 CO 0.29 -0.14 1.22 -0.83 -0.54 0.00 0.00 174.62 174.62 3pck s GLY 348 N -3.66 -0.37 0.52 3.99 0.00 -1.21 -1.39 107.32 105.19 3pck s GLY 348 Ca 0.34 0.56 -0.22 0.00 0.00 0.00 0.00 44.72 45.40 3pck s GLY 348 CO 0.18 0.19 1.24 2.56 0.00 0.00 0.00 173.10 177.26 3pck s PRO 349 N -2.59 3.39 -0.19 2.90 0.04 -1.26 -4.81 135.00 132.48 3pck s PRO 349 Ca 0.14 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 3pck s PRO 349 Cb 0.04 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 3pck s PRO 349 CO -0.03 -0.90 -0.10 1.21 0.04 0.00 0.00 177.00 177.22 3pck s ASN 350 N -1.27 3.92 -0.21 6.66 3.84 -1.26 -4.88 114.94 121.74 3pck s ASN 350 Ca 0.69 -0.45 0.15 0.00 0.21 0.00 0.00 52.86 53.46 3pck s ASN 350 Cb -0.33 -1.64 0.80 0.00 -0.55 0.00 0.00 41.25 39.53 3pck s ASN 350 CO 0.39 0.02 1.72 0.49 -2.79 0.00 0.00 177.10 176.93 3pck n PHE 351 N 4.49 1.95 -0.11 0.43 3.72 -1.26 -4.59 117.46 122.09 3pck n PHE 351 Ca -0.19 -0.69 0.20 0.00 -0.05 0.00 0.00 57.45 56.72 3pck n PHE 351 Cb 0.51 -0.45 0.62 0.00 -0.94 0.00 0.00 39.48 39.22 3pck n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pck h SER 352 N 4.03 0.17 -0.45 4.37 0.02 -1.96 -1.78 113.55 117.94 3pck h SER 352 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pck h SER 352 Cb 1.86 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3pck h SER 352 CO 0.43 0.08 0.00 1.41 -1.14 0.00 0.00 176.83 177.61 3pck n HIS 353 N -4.40 0.59 -2.17 3.45 8.25 -1.26 -4.94 115.22 114.73 3pck n HIS 353 Ca 0.14 -0.29 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 3pck n HIS 353 Cb 0.67 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.77 3pck n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pck s LEU 354 N -1.33 4.17 -0.69 2.41 2.96 -0.67 -4.94 118.68 120.60 3pck s LEU 354 Ca 0.39 2.49 -0.22 0.00 -0.22 0.00 0.00 54.13 56.58 3pck s LEU 354 Cb 0.22 -4.00 0.08 0.00 0.50 0.00 0.00 46.19 42.99 3pck s LEU 354 CO 0.30 -0.80 0.96 -0.83 -1.32 0.00 0.00 176.35 174.65 3pck s GLY 355 N -0.98 1.49 0.06 7.98 0.00 -1.26 -5.01 107.32 109.59 3pck s GLY 355 Ca 0.58 -2.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.05 3pck s GLY 355 CO 0.43 2.01 0.74 -1.36 0.00 0.00 0.00 173.10 174.92 3pck s PHE 356 N 3.74 3.76 0.60 1.90 0.08 -1.26 -5.06 117.98 121.75 3pck s PHE 356 Ca 0.22 1.46 -0.17 0.00 0.12 0.00 0.00 56.93 58.57 3pck s PHE 356 Cb -0.16 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3pck s PHE 356 CO 0.07 0.33 1.10 0.20 -0.10 0.00 0.00 175.22 176.82 3pck s GLY 357 N -0.27 2.32 0.43 4.36 0.00 -1.26 -4.94 107.32 107.97 3pck s GLY 357 Ca 0.37 0.61 0.14 0.00 0.00 0.00 0.00 44.72 45.84 3pck s GLY 357 CO 0.23 0.96 1.98 0.00 0.00 0.00 0.00 173.10 176.27 3pck h ALA 358 N 0.55 2.02 -0.22 3.20 0.00 -2.02 -2.35 119.26 120.43 3pck h ALA 358 Ca -0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3pck h ALA 358 Cb 1.25 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 3pck h ALA 358 CO 0.56 -0.15 -0.35 0.72 0.00 0.00 0.00 179.25 180.03 3pck n HIS 359 N -4.47 0.74 0.02 0.00 8.25 -1.26 -4.74 115.22 113.76 3pck n HIS 359 Ca 0.10 -1.65 0.06 0.00 -0.26 0.00 0.00 57.72 55.98 3pck n HIS 359 Cb 0.37 -0.37 0.48 0.00 1.12 0.00 0.00 29.99 31.58 3pck n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pck h ASP 360 N 1.14 0.37 -0.08 0.41 5.19 -1.70 -1.98 116.42 119.77 3pck h ASP 360 Ca 0.13 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3pck h ASP 360 Cb 1.30 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3pck h ASP 360 CO 0.25 0.26 0.00 0.00 -3.12 0.00 0.00 179.24 176.63 3pck n HIS 361 N -4.48 0.08 -3.79 4.55 1.44 -1.13 -1.96 115.22 109.92 3pck n HIS 361 Ca 0.04 -0.04 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 3pck n HIS 361 Cb 0.14 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.14 3pck n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pck s ASP 362 N -1.92 5.09 0.00 4.39 -1.08 -0.74 -1.97 116.67 120.44 3pck s ASP 362 Ca 0.31 -2.57 0.11 0.00 -0.52 0.00 0.00 52.55 49.87 3pck s ASP 362 Cb 0.20 -1.80 0.46 0.00 -1.46 0.00 0.00 42.92 40.32 3pck s ASP 362 CO 0.31 -0.41 1.33 0.18 0.52 0.00 0.00 175.17 177.10 3pck n LEU 363 N 3.83 0.00 0.08 -1.34 4.32 0.72 -0.69 117.00 123.93 3pck n LEU 363 Ca 0.04 0.49 -0.10 0.00 -0.02 0.00 0.00 56.01 56.41 3pck n LEU 363 Cb 0.38 -0.49 -0.09 0.00 -1.62 0.00 0.00 43.42 41.61 3pck n LEU 363 CO 0.33 -0.31 0.12 -0.07 -1.22 0.00 0.00 177.39 176.23 3pck h LEU 364 N 0.00 0.22 0.00 2.23 4.07 -1.92 -3.40 115.31 116.51 3pck h LEU 364 Ca 0.00 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.66 3pck h LEU 364 Cb 0.18 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3pck h LEU 364 CO 0.00 1.12 -1.57 0.18 -1.08 0.00 0.00 178.44 177.09 3pck n LEU 365 N -3.51 0.00 0.00 1.67 4.77 -0.92 -4.57 117.00 114.44 3pck n LEU 365 Ca -0.04 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.02 3pck n LEU 365 Cb 0.92 0.12 0.36 0.00 -2.33 0.00 0.00 43.42 42.50 3pck n LEU 365 CO 0.49 0.12 0.77 -0.46 -1.33 0.00 0.00 177.39 176.98 3pck n ASN 366 N -2.11 0.00 -0.05 -1.43 0.23 0.14 -5.07 115.26 106.96 3pck n ASN 366 Ca -0.09 0.49 -0.06 0.00 -0.53 0.00 0.00 54.58 54.39 3pck n ASN 366 Cb 0.55 -0.49 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 3pck n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pck n PHE 367 N -1.49 0.00 -0.35 -2.53 7.35 -1.26 -5.00 117.46 114.18 3pck n PHE 367 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3pck n PHE 367 Cb 0.20 -0.32 0.00 0.00 0.35 0.00 0.00 39.48 39.71 3pck n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pck n GLY 371 N 1.64 0.00 3.86 7.13 0.00 -1.26 -4.63 105.19 111.93 3pck n GLY 371 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3pck n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pck s LEU 372 N -2.77 4.42 0.69 0.99 1.02 -1.26 -4.84 118.68 116.93 3pck s LEU 372 Ca 0.00 0.67 -0.15 0.00 0.02 0.00 0.00 54.13 54.67 3pck s LEU 372 Cb 0.00 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.95 3pck s LEU 372 CO 0.00 0.38 1.14 -2.84 0.02 0.00 0.00 176.35 175.05 3pck s PRO 373 N -1.06 2.54 -0.12 1.29 0.02 -1.26 -4.79 135.00 131.62 3pck s PRO 373 Ca 0.19 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.59 3pck s PRO 373 Cb -0.14 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 3pck s PRO 373 CO 0.08 -1.47 0.29 0.42 -0.33 0.00 0.00 177.00 175.98 3pck s ILE 374 N -2.24 5.29 0.00 2.83 1.01 -1.26 -5.00 121.20 121.83 3pck s ILE 374 Ca 0.69 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.89 3pck s ILE 374 Cb -0.23 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3pck s ILE 374 CO 0.43 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.45 3pck n GLY 375 N 2.84 0.65 3.64 6.18 0.00 -1.26 -4.41 105.19 112.83 3pck n GLY 375 Ca -0.14 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3pck n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pck s GLU 376 N -1.42 3.97 -0.13 1.61 2.02 -1.26 -4.92 118.70 118.57 3pck s GLU 376 Ca 0.00 1.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.98 3pck s GLU 376 Cb 0.00 -3.85 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 3pck s GLU 376 CO 0.00 -1.04 1.21 1.03 0.02 0.00 0.00 175.26 176.47 3pck s ARG 377 N 4.02 4.29 0.04 1.61 0.52 -1.26 -0.77 118.95 127.40 3pck s ARG 377 Ca 0.55 1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 57.35 3pck s ARG 377 Cb -0.17 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 3pck s ARG 377 CO 0.21 -0.58 0.05 0.96 0.02 0.00 0.00 175.30 175.96 3pck s ILE 378 N 2.90 0.15 -0.14 1.52 -4.36 0.24 -1.98 121.20 119.53 3pck s ILE 378 Ca 0.54 -1.27 -0.04 0.00 -0.26 0.00 0.00 60.65 59.62 3pck s ILE 378 Cb -0.22 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 3pck s ILE 378 CO 0.17 -0.70 -0.01 -0.63 0.24 0.00 0.00 174.94 174.01 3pck s ILE 379 N -2.88 4.15 -0.28 8.37 1.01 -0.21 -1.05 121.20 130.31 3pck s ILE 379 Ca -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3pck s ILE 379 Cb 0.00 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.73 3pck s ILE 379 CO -0.06 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.65 3pck s VAL 380 N -0.02 2.50 0.16 2.92 1.01 -0.31 -0.79 120.40 125.87 3pck s VAL 380 Ca 0.02 -1.54 0.05 0.00 0.00 0.00 0.00 61.98 60.51 3pck s VAL 380 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 3pck s VAL 380 CO 0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 175.10 174.96 3pck s ALA 381 N 1.16 1.58 0.00 5.51 0.00 -0.71 -0.80 121.76 128.50 3pck s ALA 381 Ca -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3pck s ALA 381 Cb -0.20 0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3pck s ALA 381 CO -0.03 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3pck n GLY 382 N -0.25 -1.13 2.97 0.00 0.00 -1.11 -0.34 105.19 105.33 3pck n GLY 382 Ca -0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3pck n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pck s ARG 383 N -0.18 0.38 -0.22 1.61 3.52 -1.25 -1.81 118.95 121.00 3pck s ARG 383 Ca 0.00 -0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.19 3pck s ARG 383 Cb 0.00 -0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 3pck s ARG 383 CO 0.00 0.07 0.09 0.08 -0.81 0.00 0.00 175.30 174.73 3pck s VAL 384 N -0.51 4.77 0.16 7.11 1.01 0.44 -0.89 120.40 132.49 3pck s VAL 384 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3pck s VAL 384 Cb -0.04 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3pck s VAL 384 CO -0.00 0.38 0.05 0.68 0.00 0.00 0.00 175.10 176.21 3pck s VAL 385 N 0.99 0.33 0.49 2.92 -7.23 -0.26 -1.29 120.40 116.34 3pck s VAL 385 Ca 0.05 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 3pck s VAL 385 Cb -0.14 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.66 3pck s VAL 385 CO 0.03 -0.37 0.67 1.51 -0.31 0.00 0.00 175.10 176.63 3pck s ASP 386 N -3.13 5.41 0.66 4.85 -4.77 0.16 0.68 116.67 120.53 3pck s ASP 386 Ca 0.27 -0.46 0.40 0.00 -3.30 0.00 0.00 52.55 49.46 3pck s ASP 386 Cb 0.07 -0.43 2.21 0.00 -1.09 0.00 0.00 42.92 43.68 3pck s ASP 386 CO 0.05 -1.00 2.28 1.56 0.70 0.00 0.00 175.17 178.75 3pck h GLN 387 N 0.39 0.00 -0.00 2.11 4.20 -1.23 0.33 115.11 120.92 3pck h GLN 387 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3pck h GLN 387 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3pck h GLN 387 CO 0.45 0.00 -0.11 0.66 -0.67 0.00 0.00 178.83 179.16 3pck n TYR 388 N -3.17 0.00 -0.66 2.96 4.01 -1.26 -4.90 117.16 114.13 3pck n TYR 388 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3pck n TYR 388 Cb 0.13 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 3pck n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pck n GLY 389 N 1.44 0.62 3.75 2.72 0.00 0.12 -5.04 105.19 108.80 3pck n GLY 389 Ca 0.09 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3pck n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 390 N -0.89 4.38 0.57 1.61 2.20 -1.25 -4.78 119.74 121.57 3pck s LYS 390 Ca 0.00 0.81 -0.21 0.00 -0.36 0.00 0.00 55.97 56.22 3pck s LYS 390 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3pck s LYS 390 CO 0.00 0.27 1.31 -1.25 -0.36 0.00 0.00 175.35 175.32 3pck s PRO 391 N 0.09 3.05 -0.58 4.03 0.04 -1.26 -0.67 135.00 139.70 3pck s PRO 391 Ca 0.34 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.48 3pck s PRO 391 Cb -0.18 -2.14 0.15 0.00 0.04 0.00 0.00 34.50 32.36 3pck s PRO 391 CO 0.18 -1.22 0.36 0.08 0.04 0.00 0.00 177.00 176.44 3pck s VAL 392 N -1.38 3.29 0.46 -0.36 1.01 -0.41 -4.83 120.40 118.17 3pck s VAL 392 Ca 0.74 -3.05 -0.17 0.00 0.00 0.00 0.00 61.98 59.50 3pck s VAL 392 Cb -0.38 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 3pck s VAL 392 CO 0.43 -0.84 0.93 -2.16 0.00 0.00 0.00 175.10 173.46 3pck s PRO 393 N -0.09 4.02 -1.46 2.72 0.04 -1.26 -4.28 135.00 134.69 3pck s PRO 393 Ca 0.17 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 3pck s PRO 393 Cb -0.22 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.15 3pck s PRO 393 CO -0.02 -0.14 0.48 0.09 0.04 0.00 0.00 177.00 177.44 3pck n ASN 394 N -1.17 -0.86 -4.70 6.66 4.13 -0.71 -4.95 115.26 113.65 3pck n ASN 394 Ca 0.06 -1.01 -0.27 0.00 1.68 0.00 0.00 54.58 55.04 3pck n ASN 394 Cb 0.54 -2.98 -0.07 0.00 -1.54 0.00 0.00 39.78 35.73 3pck n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pck s THR 395 N -3.85 3.98 -0.22 3.41 -1.32 -1.26 -4.52 115.64 111.86 3pck s THR 395 Ca 0.14 -1.23 -0.21 0.00 -1.21 0.00 0.00 61.69 59.17 3pck s THR 395 Cb -0.08 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 67.91 3pck s THR 395 CO 0.90 -0.05 0.65 -0.22 -2.21 0.00 0.00 174.62 173.69 3pck s LEU 396 N -2.82 4.12 -0.19 9.08 2.96 -1.26 -0.70 118.68 129.85 3pck s LEU 396 Ca 0.28 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3pck s LEU 396 Cb -0.10 -2.92 0.03 0.00 0.50 0.00 0.00 46.19 43.71 3pck s LEU 396 CO 0.20 -0.33 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.06 3pck s VAL 397 N 2.16 1.90 0.06 1.68 1.01 -0.05 -1.63 120.40 125.54 3pck s VAL 397 Ca 0.29 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3pck s VAL 397 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3pck s VAL 397 CO 0.10 0.33 -0.18 -1.61 0.00 0.00 0.00 175.10 173.74 3pck s GLU 398 N 1.31 2.02 -0.00 2.72 2.02 0.16 -0.53 118.70 126.40 3pck s GLU 398 Ca 0.01 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 53.84 3pck s GLU 398 Cb -0.15 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 31.92 3pck s GLU 398 CO -0.10 0.53 0.29 0.00 0.02 0.00 0.00 175.26 176.00 3pck s MET 399 N -1.62 0.68 0.04 1.61 0.23 -0.52 -0.67 119.30 119.05 3pck s MET 399 Ca 0.16 -0.28 -0.14 0.00 -1.03 0.00 0.00 55.69 54.40 3pck s MET 399 Cb -0.11 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 3pck s MET 399 CO 0.07 -0.19 0.30 1.67 -2.03 0.00 0.00 175.02 174.84 3pck s TRP 400 N -1.59 -0.10 0.15 3.16 -2.14 -0.90 -0.32 118.94 117.20 3pck s TRP 400 Ca -0.12 -0.03 -0.24 0.00 2.66 0.00 0.00 56.10 58.37 3pck s TRP 400 Cb -0.04 0.09 0.07 0.00 -3.10 0.00 0.00 33.47 30.49 3pck s TRP 400 CO 0.03 -0.50 1.02 1.14 -2.66 0.00 0.00 176.95 175.98 3pck s GLN 401 N -2.52 1.17 0.82 3.25 -2.07 -0.07 -0.63 119.66 119.61 3pck s GLN 401 Ca -0.05 -0.70 -0.09 0.00 -1.82 0.00 0.00 55.36 52.70 3pck s GLN 401 Cb -0.01 0.37 0.14 0.00 -1.09 0.00 0.00 33.01 32.42 3pck s GLN 401 CO -0.03 -0.54 1.15 0.00 -1.32 0.00 0.00 175.29 174.54 3pck s ALA 402 N -2.73 2.91 0.60 2.60 0.00 -1.26 -4.59 121.76 119.29 3pck s ALA 402 Ca 0.17 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3pck s ALA 402 Cb -0.01 -2.51 0.05 0.00 0.00 0.00 0.00 23.12 20.65 3pck s ALA 402 CO 0.03 -1.85 0.34 0.27 0.00 0.00 0.00 175.76 174.55 3pck n ASN 403 N -3.27 0.34 0.08 0.00 0.23 -0.46 -4.50 115.26 107.69 3pck n ASN 403 Ca 0.13 -1.32 0.19 0.00 -0.53 0.00 0.00 54.58 53.06 3pck n ASN 403 Cb 0.60 -0.23 0.74 0.00 -2.08 0.00 0.00 39.78 38.82 3pck n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pck h ALA 404 N -0.80 2.20 -0.25 -2.53 0.00 -1.77 -0.68 119.26 115.43 3pck h ALA 404 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3pck h ALA 404 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3pck h ALA 404 CO 0.11 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.21 3pck n GLY 405 N -1.53 1.31 1.36 0.00 0.00 -1.26 -3.45 105.19 101.62 3pck n GLY 405 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3pck n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pck n GLY 406 N 1.42 0.58 3.65 -0.02 0.00 -0.34 -4.81 105.19 105.68 3pck n GLY 406 Ca 0.18 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3pck n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pck s ARG 407 N -1.27 4.05 0.09 1.61 6.06 -1.26 -4.76 118.95 123.46 3pck s ARG 407 Ca 0.00 -0.28 -0.12 0.00 -2.50 0.00 0.00 55.73 52.82 3pck s ARG 407 Cb 0.00 -3.50 -0.06 0.00 0.06 0.00 0.00 34.95 31.45 3pck s ARG 407 CO 0.00 0.07 0.45 0.71 -2.50 0.00 0.00 175.30 174.04 3pck s TYR 408 N 1.01 3.62 -1.23 5.12 2.02 -1.26 -1.35 117.35 125.28 3pck s TYR 408 Ca 0.07 0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 57.59 3pck s TYR 408 Cb -0.13 -2.26 0.18 0.00 -0.40 0.00 0.00 41.96 39.35 3pck s TYR 408 CO 0.04 0.52 1.63 -2.13 -1.57 0.00 0.00 175.55 174.03 3pck n ARG 409 N 1.06 3.57 -3.75 -0.62 0.63 -1.26 -4.74 116.66 111.54 3pck n ARG 409 Ca -0.08 -3.78 -0.12 0.00 -0.92 0.00 0.00 57.85 52.95 3pck n ARG 409 Cb 0.52 -2.93 -0.12 0.00 0.45 0.00 0.00 32.46 30.38 3pck n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pck s HIS 410 N 0.59 -0.31 0.28 -0.14 2.46 -1.26 -5.06 115.29 111.84 3pck s HIS 410 Ca 0.40 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.68 3pck s HIS 410 Cb 0.03 0.08 0.64 0.00 -0.13 0.00 0.00 32.58 33.20 3pck s HIS 410 CO 0.01 -0.19 1.67 0.87 -2.47 0.00 0.00 174.74 174.63 3pck h LYS 411 N 6.51 0.26 0.00 2.88 1.57 -2.07 0.14 116.57 125.86 3pck h LYS 411 Ca -0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3pck h LYS 411 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3pck h LYS 411 CO 0.36 0.17 0.00 0.09 -0.57 0.00 0.00 179.45 179.50 3pck n ASN 412 N -5.17 0.51 -4.60 0.86 5.03 -1.26 -4.69 115.26 105.94 3pck n ASN 412 Ca 0.19 0.61 -0.43 0.00 0.87 0.00 0.00 54.58 55.82 3pck n ASN 412 Cb 0.61 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 38.61 3pck n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pck s ASP 413 N -3.95 6.64 0.00 6.41 2.15 0.03 -4.88 116.67 123.08 3pck s ASP 413 Ca 0.06 0.47 0.21 0.00 0.43 0.00 0.00 52.55 53.72 3pck s ASP 413 Cb 0.10 -2.49 0.34 0.00 -0.30 0.00 0.00 42.92 40.57 3pck s ASP 413 CO 0.40 -1.03 1.30 0.54 -0.17 0.00 0.00 175.17 176.21 3pck n ARG 414 N 7.20 2.27 -1.62 4.34 5.12 -1.26 -4.91 116.66 127.81 3pck n ARG 414 Ca 0.09 -2.09 -0.40 0.00 -1.93 0.00 0.00 57.85 53.52 3pck n ARG 414 Cb 0.48 -1.45 0.02 0.00 -1.16 0.00 0.00 32.46 30.36 3pck n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pck n TYR 415 N 1.28 1.14 0.36 -1.55 9.36 -1.26 -4.88 117.16 121.60 3pck n TYR 415 Ca 0.16 0.51 0.14 0.00 3.32 0.00 0.00 57.90 62.03 3pck n TYR 415 Cb 0.55 -2.21 0.56 0.00 -0.63 0.00 0.00 39.34 37.60 3pck n TYR 415 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 3pck h LEU 416 N 1.30 0.00 -9.77 2.98 -0.00 -1.98 -3.44 115.31 104.41 3pck h LEU 416 Ca -0.46 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.90 3pck h LEU 416 Cb 1.34 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 42.05 3pck h LEU 416 CO 0.55 0.00 0.65 0.00 -0.00 0.00 0.00 178.44 179.64 3pck s ALA 417 N -3.43 3.52 0.65 0.17 0.00 -1.26 -4.96 121.76 116.45 3pck s ALA 417 Ca 0.03 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 3pck s ALA 417 Cb 0.09 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 3pck s ALA 417 CO 0.44 -0.57 1.12 -1.25 0.00 0.00 0.00 175.76 175.50 3pck s PRO 418 N -0.81 2.79 0.69 0.00 0.04 -1.26 -4.75 135.00 131.69 3pck s PRO 418 Ca 0.54 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 3pck s PRO 418 Cb -0.38 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3pck s PRO 418 CO 0.44 -1.27 1.06 -0.51 0.04 0.00 0.00 177.00 176.75 3pck s LEU 419 N -4.78 3.14 -0.24 -3.56 1.43 -1.26 -4.77 118.68 108.64 3pck s LEU 419 Ca 0.68 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 55.30 3pck s LEU 419 Cb -0.22 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.50 3pck s LEU 419 CO 0.40 -1.37 0.04 -0.62 0.23 0.00 0.00 176.35 175.04 3pck s ASP 420 N -3.85 4.94 0.55 2.29 -1.08 -1.26 -4.99 116.67 113.27 3pck s ASP 420 Ca 0.58 -0.27 0.37 0.00 -0.52 0.00 0.00 52.55 52.70 3pck s ASP 420 Cb -0.14 -1.88 2.00 0.00 -1.46 0.00 0.00 42.92 41.44 3pck s ASP 420 CO 0.55 -0.04 2.14 1.55 0.52 0.00 0.00 175.17 179.88 3pck h PRO 421 N 8.21 0.00 -0.43 4.34 0.13 -1.96 -0.87 132.00 141.41 3pck h PRO 421 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3pck h PRO 421 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3pck h PRO 421 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 3pck n ASN 422 N -2.81 3.89 -3.88 1.44 4.13 -1.26 -4.97 115.26 111.79 3pck n ASN 422 Ca -0.02 -2.47 -0.20 0.00 1.68 0.00 0.00 54.58 53.57 3pck n ASN 422 Cb 0.07 -0.45 -0.16 0.00 -1.54 0.00 0.00 39.78 37.69 3pck n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pck s PHE 423 N -1.85 0.70 -0.22 3.10 5.36 -0.33 -4.31 117.98 120.42 3pck s PHE 423 Ca 0.39 -0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 3pck s PHE 423 Cb 0.26 -0.64 -0.09 0.00 -0.34 0.00 0.00 43.02 42.21 3pck s PHE 423 CO 0.17 -0.19 -0.34 0.41 -1.46 0.00 0.00 175.22 173.81 3pck n GLY 424 N 4.10 -0.52 0.45 13.12 0.00 -1.26 -4.66 105.19 116.42 3pck n GLY 424 Ca -0.24 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3pck n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pck n GLY 425 N 1.37 1.46 3.05 -0.02 0.00 -1.26 -4.52 105.19 105.26 3pck n GLY 425 Ca -0.32 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 3pck n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 426 N -2.00 0.81 0.22 1.61 1.01 -1.26 -0.89 120.40 119.89 3pck s VAL 426 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 3pck s VAL 426 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3pck s VAL 426 CO 0.00 0.20 0.38 -0.83 0.00 0.00 0.00 175.10 174.86 3pck s GLY 427 N -0.31 0.63 -0.05 4.51 0.00 0.56 -4.80 107.32 107.87 3pck s GLY 427 Ca 0.04 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.48 3pck s GLY 427 CO -0.00 -0.78 0.67 1.09 0.00 0.00 0.00 173.10 174.08 3pck s ARG 428 N -4.02 1.05 -0.21 2.90 1.70 -0.83 -1.43 118.95 118.11 3pck s ARG 428 Ca 0.23 0.25 -0.27 0.00 -0.47 0.00 0.00 55.73 55.47 3pck s ARG 428 Cb 0.01 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 34.96 3pck s ARG 428 CO 0.07 -0.33 0.72 0.00 -1.08 0.00 0.00 175.30 174.68 3pck s LEU 430 N -0.10 4.07 0.68 0.00 2.96 -1.26 -0.87 118.68 124.17 3pck s LEU 430 Ca -0.03 0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 3pck s LEU 430 Cb -0.04 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3pck s LEU 430 CO 0.03 0.05 1.22 0.42 -1.32 0.00 0.00 176.35 176.75 3pck s THR 431 N 1.17 2.39 0.00 3.68 -4.23 0.12 -4.86 115.64 113.91 3pck s THR 431 Ca 0.07 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3pck s THR 431 Cb -0.14 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.81 3pck s THR 431 CO 0.05 -0.08 0.00 -0.90 -0.54 0.00 0.00 174.62 173.15 3pck n ASP 432 N -2.31 0.00 -0.06 3.99 5.68 -0.68 -1.75 116.55 121.43 3pck n ASP 432 Ca 0.14 -0.81 0.14 0.00 -0.50 0.00 0.00 54.79 53.76 3pck n ASP 432 Cb 0.50 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.03 3pck n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pck h SER 433 N 0.00 0.26 -0.20 -1.12 0.02 -1.95 -2.03 113.55 108.53 3pck h SER 433 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pck h SER 433 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3pck h SER 433 CO 0.00 0.15 0.00 0.47 -1.14 0.00 0.00 176.83 176.31 3pck n ASP 434 N -4.45 2.74 0.00 3.07 8.00 -1.26 -4.68 116.55 119.96 3pck n ASP 434 Ca 0.10 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3pck n ASP 434 Cb 0.44 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3pck n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pck n GLY 435 N 1.35 0.68 3.76 0.44 0.00 -0.77 -4.72 105.19 105.93 3pck n GLY 435 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3pck n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pck s TYR 436 N -2.13 3.88 0.11 1.61 2.02 -1.26 -0.42 117.35 121.16 3pck s TYR 436 Ca 0.00 1.87 0.01 0.00 -0.37 0.00 0.00 57.07 58.58 3pck s TYR 436 Cb 0.00 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 3pck s TYR 436 CO 0.00 0.31 -0.05 1.52 -1.57 0.00 0.00 175.55 175.76 3pck s TYR 437 N -1.28 0.92 -0.22 2.71 1.13 -0.75 -1.69 117.35 118.16 3pck s TYR 437 Ca 0.43 -0.95 -0.26 0.00 -1.41 0.00 0.00 57.07 54.88 3pck s TYR 437 Cb -0.25 -0.53 0.08 0.00 -1.10 0.00 0.00 41.96 40.16 3pck s TYR 437 CO 0.31 -0.19 0.78 -1.54 -2.51 0.00 0.00 175.55 172.40 3pck s SER 438 N -3.06 -0.66 0.17 -0.18 1.04 -1.26 -2.75 113.70 107.00 3pck s SER 438 Ca 0.14 1.15 0.07 0.00 0.48 0.00 0.00 55.95 57.79 3pck s SER 438 Cb 0.06 1.13 -0.04 0.00 0.10 0.00 0.00 66.02 67.26 3pck s SER 438 CO -0.03 -0.31 -0.15 -0.36 0.98 0.00 0.00 173.24 173.37 3pck s PHE 439 N -0.03 1.61 -0.10 5.02 0.08 0.02 -4.89 117.98 119.68 3pck s PHE 439 Ca -0.02 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.48 3pck s PHE 439 Cb -0.04 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 3pck s PHE 439 CO 0.02 0.27 -0.12 0.50 -0.10 0.00 0.00 175.22 175.78 3pck s ARG 440 N -3.25 1.88 0.00 0.44 3.52 -0.83 -1.16 118.95 119.55 3pck s ARG 440 Ca 0.17 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 3pck s ARG 440 Cb -0.02 -1.67 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 3pck s ARG 440 CO 0.05 -0.10 0.00 -2.37 -0.81 0.00 0.00 175.30 172.07 3pck n THR 441 N 4.31 0.00 -4.38 4.11 5.66 -0.22 -0.20 114.28 123.56 3pck n THR 441 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 3pck n THR 441 Cb 0.51 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 3pck n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pck s ILE 442 N -2.80 2.15 0.02 1.09 -5.25 -1.26 -0.59 121.20 114.57 3pck s ILE 442 Ca 0.00 -1.90 -0.30 0.00 -0.99 0.00 0.00 60.65 57.46 3pck s ILE 442 Cb 0.00 -1.98 -0.06 0.00 2.95 0.00 0.00 42.46 43.37 3pck s ILE 442 CO 0.00 -0.11 1.47 -0.75 -1.79 0.00 0.00 174.94 173.76 3pck s LYS 443 N -2.49 4.26 0.78 0.37 2.20 0.05 -4.91 119.74 120.00 3pck s LYS 443 Ca 0.17 2.07 -0.11 0.00 -0.36 0.00 0.00 55.97 57.73 3pck s LYS 443 Cb -0.08 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3pck s LYS 443 CO 0.08 -0.61 1.08 -1.25 -0.36 0.00 0.00 175.35 174.29 3pck s PRO 444 N 2.42 2.21 0.18 4.03 0.04 -1.26 -4.20 135.00 138.42 3pck s PRO 444 Ca 0.66 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.62 3pck s PRO 444 Cb -0.34 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3pck s PRO 444 CO 0.28 -1.59 0.21 0.20 0.04 0.00 0.00 177.00 176.14 3pck s GLY 445 N -3.68 1.62 0.84 0.56 0.00 -0.75 -4.74 107.32 101.16 3pck s GLY 445 Ca 0.61 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 3pck s GLY 445 CO 0.55 -1.21 1.11 -1.05 0.00 0.00 0.00 173.10 172.51 3pck n PRO 446 N -0.64 0.02 -3.82 2.90 -0.02 -1.26 -3.92 135.00 128.27 3pck n PRO 446 Ca -0.08 0.08 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 3pck n PRO 446 Cb 0.55 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 3pck n PRO 446 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3pck s TYR 447 N -2.24 0.15 0.34 6.00 5.04 -1.00 -4.22 117.35 121.43 3pck s TYR 447 Ca 0.71 0.09 -0.24 0.00 -2.44 0.00 0.00 57.07 55.19 3pck s TYR 447 Cb -0.28 -0.34 -0.10 0.00 0.35 0.00 0.00 41.96 41.59 3pck s TYR 447 CO 0.54 -0.12 0.92 -1.25 -1.34 0.00 0.00 175.55 174.30 3pck s PRO 448 N 1.19 4.44 0.05 4.97 0.04 -1.26 0.21 135.00 144.63 3pck s PRO 448 Ca -0.08 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 3pck s PRO 448 Cb -0.13 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.80 3pck s PRO 448 CO -0.03 0.20 0.28 1.67 0.04 0.00 0.00 177.00 179.16 3pck s TRP 449 N -1.78 -0.06 -1.19 0.56 1.48 -1.07 -4.93 118.94 111.95 3pck s TRP 449 Ca 0.53 -0.11 -0.20 0.00 -1.06 0.00 0.00 56.10 55.26 3pck s TRP 449 Cb -0.15 0.07 0.03 0.00 -1.16 0.00 0.00 33.47 32.26 3pck s TRP 449 CO 0.20 -0.50 1.71 1.03 -4.06 0.00 0.00 176.95 175.34 3pck s ARG 450 N -2.65 3.57 0.00 3.25 0.52 -1.26 -4.38 118.95 118.00 3pck s ARG 450 Ca -0.04 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 3pck s ARG 450 Cb -0.01 -5.42 0.00 0.00 0.52 0.00 0.00 34.95 30.05 3pck s ARG 450 CO -0.04 -2.58 0.00 -1.71 0.02 0.00 0.00 175.30 170.99 3pck n ASN 451 N 9.80 0.00 -4.62 0.23 5.15 -1.26 -5.04 115.26 119.51 3pck n ASN 451 Ca 0.44 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.15 3pck n ASN 451 Cb 0.47 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.84 3pck n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pck s GLY 452 N -0.76 1.72 0.58 8.20 0.00 -1.26 -4.97 107.32 110.83 3pck s GLY 452 Ca 0.00 -1.14 0.36 0.00 0.00 0.00 0.00 44.72 43.94 3pck s GLY 452 CO 0.00 -0.57 2.14 -2.55 0.00 0.00 0.00 173.10 172.12 3pck h PRO 453 N -0.97 0.00 -1.05 2.90 0.11 -1.97 -3.23 132.00 127.78 3pck h PRO 453 Ca -0.43 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.29 3pck h PRO 453 Cb 1.28 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 3pck h PRO 453 CO 0.50 0.04 -1.14 -1.71 -0.21 0.00 0.00 178.00 175.47 3pck n ASN 454 N -3.25 1.82 -4.82 -2.05 5.15 -1.26 -5.10 115.26 105.76 3pck n ASN 454 Ca -0.01 -2.82 -0.38 0.00 -0.60 0.00 0.00 54.58 50.77 3pck n ASN 454 Cb 0.21 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 3pck n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pck s ASP 455 N -3.18 6.89 -0.05 1.20 1.01 -1.22 -5.08 116.67 116.24 3pck s ASP 455 Ca 0.29 1.06 -0.00 0.00 0.71 0.00 0.00 52.55 54.61 3pck s ASP 455 Cb 0.45 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 42.11 3pck s ASP 455 CO 0.01 0.28 -0.00 0.26 0.21 0.00 0.00 175.17 175.93 3pck s TRP 456 N -0.95 0.50 0.31 4.23 0.52 -1.26 -2.59 118.94 119.69 3pck s TRP 456 Ca 0.26 -0.08 -0.28 0.00 0.02 0.00 0.00 56.10 56.02 3pck s TRP 456 Cb -0.18 -0.59 -0.09 0.00 -1.15 0.00 0.00 33.47 31.46 3pck s TRP 456 CO 0.15 -0.21 1.09 1.03 0.02 0.00 0.00 176.95 179.03 3pck s ARG 457 N 1.37 4.53 0.68 4.98 1.81 0.13 -4.78 118.95 127.67 3pck s ARG 457 Ca -0.04 1.75 -0.15 0.00 -1.72 0.00 0.00 55.73 55.56 3pck s ARG 457 Cb -0.13 -3.05 0.01 0.00 -0.45 0.00 0.00 34.95 31.33 3pck s ARG 457 CO -0.02 0.13 1.14 -2.14 -0.68 0.00 0.00 175.30 173.72 3pck s PRO 458 N -1.67 2.61 0.20 3.54 0.02 -1.26 -2.37 135.00 136.07 3pck s PRO 458 Ca 0.47 1.50 -0.32 0.00 0.02 0.00 0.00 61.00 62.67 3pck s PRO 458 Cb -0.30 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.16 3pck s PRO 458 CO 0.38 -1.42 1.36 0.00 -0.33 0.00 0.00 177.00 176.99 3pck n ALA 459 N -2.50 0.53 -3.33 -1.55 0.00 -1.26 -4.74 120.51 107.67 3pck n ALA 459 Ca 0.11 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 3pck n ALA 459 Cb 0.51 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 3pck n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pck s HIS 460 N 0.05 -0.46 -0.10 0.00 -0.00 -1.26 -3.98 115.29 109.54 3pck s HIS 460 Ca 0.72 0.41 0.03 0.00 -0.00 0.00 0.00 55.06 56.22 3pck s HIS 460 Cb -0.72 0.41 -0.01 0.00 -0.00 0.00 0.00 32.58 32.26 3pck s HIS 460 CO 0.49 -0.72 -0.21 0.42 -0.00 0.00 0.00 174.74 174.72 3pck s ILE 461 N -2.95 2.38 0.02 -5.38 1.01 -0.47 -4.65 121.20 111.16 3pck s ILE 461 Ca -0.03 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3pck s ILE 461 Cb -0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3pck s ILE 461 CO -0.06 0.55 1.01 -1.00 0.00 0.00 0.00 174.94 175.45 3pck s HIS 462 N 0.27 3.63 0.09 3.97 3.76 0.20 -0.56 115.29 126.64 3pck s HIS 462 Ca -0.14 1.64 0.09 0.00 -0.15 0.00 0.00 55.06 56.50 3pck s HIS 462 Cb -0.17 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.32 3pck s HIS 462 CO 0.07 -0.21 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.46 3pck s PHE 463 N 0.96 2.01 -0.03 1.40 0.40 -0.09 -2.11 117.98 120.52 3pck s PHE 463 Ca 0.53 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 3pck s PHE 463 Cb -0.22 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.19 3pck s PHE 463 CO 0.28 0.20 -0.01 0.20 0.70 0.00 0.00 175.22 176.60 3pck s GLY 464 N -1.67 0.28 -0.06 4.36 0.00 0.15 -1.16 107.32 109.22 3pck s GLY 464 Ca 0.09 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3pck s GLY 464 CO 0.04 0.61 -0.07 -0.42 0.00 0.00 0.00 173.10 173.26 3pck s ILE 465 N 1.06 0.78 -0.06 0.90 1.09 0.34 -0.67 121.20 124.64 3pck s ILE 465 Ca -0.09 -0.23 -0.08 0.00 -1.10 0.00 0.00 60.65 59.14 3pck s ILE 465 Cb -0.14 -0.78 -0.05 0.00 -1.06 0.00 0.00 42.46 40.44 3pck s ILE 465 CO -0.02 0.29 0.36 0.77 -0.10 0.00 0.00 174.94 176.24 3pck h SER 466 N 7.38 -0.25 -3.88 3.58 4.64 -1.60 -0.05 113.55 123.36 3pck h SER 466 Ca -0.33 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3pck h SER 466 Cb 1.16 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3pck h SER 466 CO 0.44 0.18 -0.02 0.61 -0.87 0.00 0.00 176.83 177.17 3pck n GLY 467 N 0.99 -2.15 0.03 -0.77 0.00 -1.26 -2.68 105.19 99.35 3pck n GLY 467 Ca -0.04 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.63 3pck n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pck n PRO 468 N -0.70 0.05 -3.95 1.61 -0.04 -1.26 -4.88 135.00 125.83 3pck n PRO 468 Ca 0.00 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 3pck n PRO 468 Cb 0.02 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 3pck n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pck s SER 469 N -3.32 0.37 0.46 3.54 1.04 -1.26 -3.35 113.70 111.17 3pck s SER 469 Ca 0.09 -1.24 0.24 0.00 0.48 0.00 0.00 55.95 55.53 3pck s SER 469 Cb 0.13 0.74 1.05 0.00 0.10 0.00 0.00 66.02 68.04 3pck s SER 469 CO 0.41 -1.45 1.89 0.16 0.98 0.00 0.00 173.24 175.22 3pck h ILE 470 N 2.07 0.60 0.00 -1.02 3.07 -1.37 -2.89 117.51 117.97 3pck h ILE 470 Ca -0.29 -1.00 -0.05 0.00 1.55 0.00 0.00 64.86 65.07 3pck h ILE 470 Cb 1.25 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 39.45 3pck h ILE 470 CO 0.38 0.21 -0.23 0.00 -1.05 0.00 0.00 178.15 177.46 3pck h ALA 471 N 1.79 1.10 0.00 0.16 0.00 -1.78 -3.12 119.26 117.41 3pck h ALA 471 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3pck h ALA 471 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3pck h ALA 471 CO 0.03 0.29 -1.10 0.25 0.00 0.00 0.00 179.25 178.72 3pck n THR 472 N -3.51 0.07 -1.67 0.00 -2.24 -1.10 -4.95 114.28 100.87 3pck n THR 472 Ca -0.01 -0.17 -0.45 0.00 -2.27 0.00 0.00 64.05 61.16 3pck n THR 472 Cb 0.39 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3pck n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pck n LYS 473 N -1.79 2.06 -3.84 -0.78 3.00 -1.09 -4.75 118.16 110.96 3pck n LYS 473 Ca 0.02 0.74 -0.12 0.00 -0.00 0.00 0.00 58.31 58.95 3pck n LYS 473 Cb 0.41 -2.42 -0.11 0.00 0.00 0.00 0.00 35.03 32.91 3pck n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pck s LEU 474 N 0.27 1.42 -0.09 3.14 2.96 -0.03 -5.02 118.68 121.33 3pck s LEU 474 Ca 0.71 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 3pck s LEU 474 Cb -0.66 0.68 -0.00 0.00 0.50 0.00 0.00 46.19 46.71 3pck s LEU 474 CO 0.47 -0.25 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.39 3pck s ILE 475 N -0.77 1.94 0.00 6.68 1.01 -1.26 -0.50 121.20 128.29 3pck s ILE 475 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3pck s ILE 475 Cb -0.05 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3pck s ILE 475 CO 0.01 0.53 0.00 1.07 0.00 0.00 0.00 174.94 176.56 3pck n THR 476 N 3.43 0.00 -3.80 2.92 5.66 -0.31 -5.02 114.28 117.16 3pck n THR 476 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 3pck n THR 476 Cb 0.53 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.18 3pck n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pck s GLN 477 N -1.31 0.14 -0.10 1.09 -0.21 -1.26 -0.91 119.66 117.09 3pck s GLN 477 Ca 0.00 0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.52 3pck s GLN 477 Cb 0.00 0.01 -0.05 0.00 1.00 0.00 0.00 33.01 33.97 3pck s GLN 477 CO 0.00 -0.06 0.24 -1.17 -2.12 0.00 0.00 175.29 172.18 3pck s LEU 478 N 0.38 4.37 0.27 2.90 0.20 0.27 -4.82 118.68 122.25 3pck s LEU 478 Ca -0.03 0.58 0.10 0.00 0.69 0.00 0.00 54.13 55.48 3pck s LEU 478 Cb -0.04 -2.26 -0.05 0.00 -0.43 0.00 0.00 46.19 43.42 3pck s LEU 478 CO -0.02 0.31 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.97 3pck s TYR 479 N -0.64 2.54 -0.15 5.38 2.02 0.31 -1.36 117.35 125.46 3pck s TYR 479 Ca 0.17 -0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 3pck s TYR 479 Cb -0.13 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 3pck s TYR 479 CO 0.06 0.66 0.07 -0.06 -1.57 0.00 0.00 175.55 174.71 3pck s PHE 480 N -2.39 3.33 0.03 2.71 0.40 -1.26 -0.09 117.98 120.72 3pck s PHE 480 Ca 0.31 0.23 -0.37 0.00 -0.60 0.00 0.00 56.93 56.50 3pck s PHE 480 Cb -0.06 -1.99 -0.17 0.00 0.51 0.00 0.00 43.02 41.31 3pck s PHE 480 CO 0.18 0.37 1.40 -1.91 0.70 0.00 0.00 175.22 175.96 3pck n GLU 481 N 2.87 1.15 -0.13 0.44 2.13 -0.79 -2.12 120.64 124.18 3pck n GLU 481 Ca -0.18 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3pck n GLU 481 Cb 0.53 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.18 3pck n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pck n GLY 482 N 2.76 2.17 3.56 8.31 0.00 -1.26 -4.99 105.19 115.73 3pck n GLY 482 Ca 0.20 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.73 3pck n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pck n ASP 483 N 0.00 2.75 0.32 1.61 -0.08 -0.90 -4.85 116.55 115.40 3pck n ASP 483 Ca 0.00 0.55 0.21 0.00 -1.51 0.00 0.00 54.79 54.04 3pck n ASP 483 Cb 0.00 -1.35 1.05 0.00 2.34 0.00 0.00 41.12 43.16 3pck n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pck h PRO 484 N 11.91 0.00 0.00 -0.67 0.13 -1.95 -2.74 132.00 138.68 3pck h PRO 484 Ca -0.37 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 3pck h PRO 484 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3pck h PRO 484 CO 0.98 0.00 -0.50 -0.07 -0.23 0.00 0.00 178.00 178.19 3pck h LEU 485 N 0.00 0.00 -0.65 1.56 3.38 -1.95 -3.37 115.31 114.27 3pck h LEU 485 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3pck h LEU 485 Cb 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 3pck h LEU 485 CO 0.00 0.50 -0.48 0.40 0.09 0.00 0.00 178.44 178.95 3pck h ILE 486 N 0.00 0.05 0.00 1.22 2.04 -1.87 -1.48 117.51 117.47 3pck h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pck h ILE 486 Cb 0.91 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3pck h ILE 486 CO 0.06 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.56 3pck h PRO 487 N -0.20 0.00 0.00 2.37 0.11 -1.81 -2.58 132.00 129.89 3pck h PRO 487 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3pck h PRO 487 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3pck h PRO 487 CO -0.74 0.00 -0.88 -1.33 -0.21 0.00 0.00 178.00 174.84 3pck n MET 488 N -2.56 0.17 -2.46 1.05 2.81 -0.57 -4.91 117.12 110.63 3pck n MET 488 Ca -0.00 -0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3pck n MET 488 Cb 0.16 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 3pck n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pck h PRO 490 N 7.89 0.24 -0.02 0.00 0.11 -1.91 0.34 132.00 138.65 3pck h PRO 490 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3pck h PRO 490 Cb 1.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3pck h PRO 490 CO 0.94 0.29 -0.01 0.82 -0.21 0.00 0.00 178.00 179.83 3pck h ILE 491 N 0.23 1.34 -0.48 4.15 2.04 -1.92 -1.55 117.51 121.32 3pck h ILE 491 Ca 0.05 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.93 3pck h ILE 491 Cb 0.22 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3pck h ILE 491 CO 0.01 0.27 0.26 0.58 0.00 0.00 0.00 178.15 179.27 3pck h VAL 492 N -0.38 0.99 0.00 1.67 2.07 -1.65 -1.66 116.25 117.29 3pck h VAL 492 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3pck h VAL 492 Cb 0.44 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3pck h VAL 492 CO 0.00 0.09 0.00 0.29 0.02 0.00 0.00 177.57 177.98 3pck n LYS 493 N -4.87 0.05 0.32 1.57 5.02 0.11 -1.83 118.16 118.52 3pck n LYS 493 Ca 0.04 0.31 0.20 0.00 -2.02 0.00 0.00 58.31 56.83 3pck n LYS 493 Cb 0.11 -1.50 1.07 0.00 -0.02 0.00 0.00 35.03 34.69 3pck n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pck h SER 494 N 0.00 0.00 -3.45 4.39 4.64 -0.27 -3.38 113.55 115.48 3pck h SER 494 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3pck h SER 494 Cb 0.10 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.08 3pck h SER 494 CO 0.00 0.01 0.26 -0.63 -0.87 0.00 0.00 176.83 175.60 3pck s ILE 495 N -4.20 4.91 0.15 0.95 1.01 -0.76 -3.76 121.20 119.50 3pck s ILE 495 Ca -0.04 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 3pck s ILE 495 Cb 0.13 -4.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 3pck s ILE 495 CO 0.47 -0.09 1.35 0.00 0.00 0.00 0.00 174.94 176.67 3pck h ALA 496 N 7.97 0.45 -2.49 9.38 0.00 -1.86 -3.45 119.26 129.27 3pck h ALA 496 Ca -0.26 -0.69 -0.63 0.00 0.00 0.00 0.00 54.91 53.33 3pck h ALA 496 Cb 1.11 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 3pck h ALA 496 CO 0.82 0.83 -0.01 1.21 0.00 0.00 0.00 179.25 182.10 3pck s ASN 497 N -7.02 6.38 0.47 0.00 3.04 -1.26 -4.96 114.94 111.58 3pck s ASN 497 Ca -0.05 0.23 0.18 0.00 0.04 0.00 0.00 52.86 53.26 3pck s ASN 497 Cb 0.09 -2.28 1.18 0.00 -1.54 0.00 0.00 41.25 38.70 3pck s ASN 497 CO 0.85 -0.42 1.99 1.55 -3.04 0.00 0.00 177.10 178.03 3pck h PRO 498 N 8.28 0.23 -0.15 0.43 0.13 -2.00 0.55 132.00 139.48 3pck h PRO 498 Ca -0.28 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 3pck h PRO 498 Cb 1.13 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3pck h PRO 498 CO 0.76 0.15 -0.22 0.93 -0.23 0.00 0.00 178.00 179.39 3pck h GLU 499 N 0.24 0.25 -0.25 0.86 3.07 -1.99 -2.43 114.58 114.33 3pck h GLU 499 Ca 0.27 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 3pck h GLU 499 Cb 0.73 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3pck h GLU 499 CO -0.05 0.47 -0.51 0.00 -1.40 0.00 0.00 179.01 177.51 3pck h ALA 500 N 1.55 0.40 -0.77 3.43 0.00 -0.25 -3.04 119.26 120.57 3pck h ALA 500 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3pck h ALA 500 Cb 0.52 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3pck h ALA 500 CO 0.04 0.59 0.51 0.28 0.00 0.00 0.00 179.25 180.67 3pck h VAL 501 N 0.55 1.09 -0.47 0.00 2.07 -1.23 -1.53 116.25 116.72 3pck h VAL 501 Ca 0.01 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3pck h VAL 501 Cb 1.12 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3pck h VAL 501 CO 0.11 0.17 0.31 1.56 0.02 0.00 0.00 177.57 179.74 3pck h GLN 502 N 0.91 0.54 0.00 1.57 1.08 -1.32 -1.45 115.11 116.43 3pck h GLN 502 Ca 0.32 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3pck h GLN 502 Cb 0.11 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3pck h GLN 502 CO -0.10 0.36 -0.01 1.96 -0.95 0.00 0.00 178.83 180.09 3pck h GLN 503 N 0.55 0.00 -0.01 1.46 4.20 -1.28 -2.45 115.11 117.58 3pck h GLN 503 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3pck h GLN 503 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3pck h GLN 503 CO -0.05 0.01 -0.09 1.28 -0.67 0.00 0.00 178.83 179.32 3pck n LEU 504 N -3.15 1.49 -4.56 1.46 4.77 -0.55 -4.87 117.00 111.60 3pck n LEU 504 Ca -0.02 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.08 3pck n LEU 504 Cb 0.18 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3pck n LEU 504 CO 0.24 0.26 0.16 -0.63 -1.33 0.00 0.00 177.39 176.08 3pck s ILE 505 N -2.16 5.08 0.40 -0.08 1.01 -0.93 -0.53 121.20 124.00 3pck s ILE 505 Ca 0.33 0.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.05 3pck s ILE 505 Cb 0.20 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 3pck s ILE 505 CO 0.39 -0.13 1.06 0.00 0.00 0.00 0.00 174.94 176.26 3pck s ALA 506 N 2.25 3.09 -0.03 9.38 0.00 0.87 -4.85 121.76 132.47 3pck s ALA 506 Ca 0.16 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3pck s ALA 506 Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3pck s ALA 506 CO 0.12 -0.23 -0.02 0.15 0.00 0.00 0.00 175.76 175.78 3pck s LYS 507 N -2.49 2.78 0.24 0.00 -0.14 -0.70 -1.89 119.74 117.55 3pck s LYS 507 Ca 0.58 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 54.30 3pck s LYS 507 Cb -0.22 -2.65 -0.12 0.00 -1.68 0.00 0.00 37.83 33.15 3pck s LYS 507 CO 0.28 0.64 1.67 -1.17 -0.76 0.00 0.00 175.35 176.02 3pck s LEU 508 N -1.27 4.36 -0.48 3.17 2.96 -1.26 -0.60 118.68 125.55 3pck s LEU 508 Ca 0.17 2.91 0.03 0.00 -0.22 0.00 0.00 54.13 57.02 3pck s LEU 508 Cb -0.11 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.12 3pck s LEU 508 CO 0.07 -0.95 0.33 -0.62 -1.32 0.00 0.00 176.35 173.86 3pck s ASP 509 N 0.89 3.08 0.41 3.68 2.15 0.13 -4.84 116.67 122.18 3pck s ASP 509 Ca 0.70 -3.03 0.08 0.00 0.43 0.00 0.00 52.55 50.73 3pck s ASP 509 Cb -0.49 -0.91 0.88 0.00 -0.30 0.00 0.00 42.92 42.11 3pck s ASP 509 CO 0.39 -0.19 2.05 0.24 -0.17 0.00 0.00 175.17 177.49 3pck h MET 510 N 6.06 0.52 0.00 4.34 2.86 -1.93 -1.93 114.93 124.85 3pck h MET 510 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3pck h MET 510 Cb 0.88 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3pck h MET 510 CO 0.48 0.35 -0.05 -0.91 1.06 0.00 0.00 176.91 177.84 3pck h ASN 511 N 0.54 0.00 0.03 1.22 2.35 -1.94 -2.45 115.58 115.32 3pck h ASN 511 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3pck h ASN 511 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3pck h ASN 511 CO -0.04 0.05 -0.41 -3.20 -1.65 0.00 0.00 177.43 172.18 3pck n ASN 512 N -4.12 1.88 -4.78 5.81 5.15 -0.73 -4.99 115.26 113.48 3pck n ASN 512 Ca -0.03 -1.42 -0.33 0.00 -0.60 0.00 0.00 54.58 52.20 3pck n ASN 512 Cb 0.13 0.39 0.03 0.00 -0.53 0.00 0.00 39.78 39.80 3pck n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pck s ALA 513 N -2.45 2.57 -0.41 5.20 0.00 -0.93 -4.79 121.76 120.96 3pck s ALA 513 Ca 0.20 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 3pck s ALA 513 Cb 0.18 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.06 3pck s ALA 513 CO 0.55 -1.10 0.27 -0.80 0.00 0.00 0.00 175.76 174.68 3pck s ASN 514 N -2.65 5.87 0.24 0.00 0.01 0.74 -5.00 114.94 114.15 3pck s ASN 514 Ca 0.66 -1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.38 3pck s ASN 514 Cb -0.19 -2.07 -0.15 0.00 0.41 0.00 0.00 41.25 39.25 3pck s ASN 514 CO 0.40 -0.48 1.06 -2.65 -1.51 0.00 0.00 177.10 173.92 3pck n PRO 515 N 5.05 1.23 -1.46 -0.60 -0.02 -1.26 -0.35 135.00 137.60 3pck n PRO 515 Ca -0.11 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 3pck n PRO 515 Cb 0.45 -1.84 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3pck n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pck n MET 516 N 1.18 -1.58 0.01 -0.52 2.81 -1.26 -4.72 117.12 113.03 3pck n MET 516 Ca 0.12 1.06 0.00 0.00 -1.81 0.00 0.00 57.70 57.07 3pck n MET 516 Cb 0.29 -5.47 0.00 0.00 -0.71 0.00 0.00 33.22 27.33 3pck n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pck n ASP 517 N -1.28 0.01 -3.73 7.83 2.03 0.53 -5.15 116.55 116.79 3pck n ASP 517 Ca -0.16 0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.06 3pck n ASP 517 Cb 0.64 0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.98 3pck n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pck s LEU 519 N -2.23 2.82 -0.09 0.00 1.43 -0.84 -0.19 118.68 119.58 3pck s LEU 519 Ca -0.03 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3pck s LEU 519 Cb 0.00 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.99 3pck s LEU 519 CO -0.05 -2.31 0.30 0.00 0.23 0.00 0.00 176.35 174.52 3pck s ALA 520 N -3.56 -0.74 0.04 4.21 0.00 -1.26 -1.05 121.76 119.41 3pck s ALA 520 Ca 0.70 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.42 3pck s ALA 520 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3pck s ALA 520 CO 0.49 -0.17 -0.20 0.71 0.00 0.00 0.00 175.76 176.59 3pck s TYR 521 N -0.23 1.77 -0.15 0.00 1.51 0.03 0.21 117.35 120.49 3pck s TYR 521 Ca -0.04 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3pck s TYR 521 Cb -0.03 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3pck s TYR 521 CO 0.01 0.07 -0.10 0.50 -1.11 0.00 0.00 175.55 174.92 3pck s ARG 522 N -1.09 3.42 -0.27 -0.62 6.06 0.23 -1.74 118.95 124.95 3pck s ARG 522 Ca 0.07 -0.65 -0.02 0.00 -2.50 0.00 0.00 55.73 52.63 3pck s ARG 522 Cb -0.09 -2.73 0.12 0.00 0.06 0.00 0.00 34.95 32.31 3pck s ARG 522 CO 0.01 0.15 0.24 0.12 -2.50 0.00 0.00 175.30 173.32 3pck s PHE 523 N 0.52 -0.22 0.11 5.12 5.36 0.54 -1.71 117.98 127.70 3pck s PHE 523 Ca -0.07 -0.29 -0.19 0.00 -0.96 0.00 0.00 56.93 55.42 3pck s PHE 523 Cb -0.15 -0.56 -0.07 0.00 -0.34 0.00 0.00 43.02 41.90 3pck s PHE 523 CO 0.04 -0.84 0.59 -0.51 -1.46 0.00 0.00 175.22 173.04 3pck s ASP 524 N 2.29 7.03 -0.10 6.13 1.01 -1.26 -3.90 116.67 127.86 3pck s ASP 524 Ca 0.09 1.26 0.03 0.00 0.71 0.00 0.00 52.55 54.64 3pck s ASP 524 Cb -0.15 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3pck s ASP 524 CO -0.30 0.21 -0.19 -0.63 0.21 0.00 0.00 175.17 174.47 3pck s ILE 525 N -1.23 2.52 -0.26 0.77 1.01 -0.07 -4.93 121.20 119.00 3pck s ILE 525 Ca 0.33 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3pck s ILE 525 Cb -0.18 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3pck s ILE 525 CO 0.20 0.55 0.01 -0.69 0.00 0.00 0.00 174.94 175.01 3pck s VAL 526 N 0.22 3.57 0.36 2.92 1.01 -1.26 -1.10 120.40 126.12 3pck s VAL 526 Ca -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3pck s VAL 526 Cb -0.16 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3pck s VAL 526 CO 0.07 0.24 0.51 -0.76 0.00 0.00 0.00 175.10 175.15 3pck s LEU 527 N 1.47 3.89 0.14 3.92 1.43 0.22 -4.91 118.68 124.83 3pck s LEU 527 Ca 0.03 -0.14 -0.35 0.00 -1.03 0.00 0.00 54.13 52.65 3pck s LEU 527 Cb -0.16 -2.80 -0.16 0.00 0.03 0.00 0.00 46.19 43.11 3pck s LEU 527 CO -0.01 -0.51 1.36 0.54 0.23 0.00 0.00 176.35 177.97 3pck n ARG 528 N -1.73 1.46 -1.72 1.70 1.74 -1.26 -0.93 116.66 115.92 3pck n ARG 528 Ca 0.01 0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 3pck n ARG 528 Cb 0.58 -2.17 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 3pck n ARG 528 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3pck n GLY 529 N 2.56 1.20 3.51 -0.13 0.00 -1.26 -4.36 105.19 106.71 3pck n GLY 529 Ca 0.17 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 3pck n GLY 529 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3pck s GLN 530 N -0.38 3.69 0.08 1.61 0.74 -1.26 -0.79 119.66 123.35 3pck s GLN 530 Ca 0.66 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.57 3pck s GLN 530 Cb -0.54 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 3pck s GLN 530 CO 0.48 0.24 -0.06 -0.98 -0.55 0.00 0.00 175.29 174.42 3pck s ARG 531 N 0.36 0.76 0.46 1.67 1.70 0.70 -4.98 118.95 119.62 3pck s ARG 531 Ca -0.04 -1.26 -0.21 0.00 -0.47 0.00 0.00 55.73 53.76 3pck s ARG 531 Cb -0.14 -0.13 -0.09 0.00 -0.57 0.00 0.00 34.95 34.02 3pck s ARG 531 CO 0.03 -0.03 1.01 -1.59 -1.08 0.00 0.00 175.30 173.64 3pck s LYS 532 N -3.64 3.98 0.76 3.89 -2.85 -1.26 -0.50 119.74 120.12 3pck s LYS 532 Ca 0.09 1.29 -0.11 0.00 -1.00 0.00 0.00 55.97 56.24 3pck s LYS 532 Cb 0.04 -2.16 0.05 0.00 -2.06 0.00 0.00 37.83 33.71 3pck s LYS 532 CO -0.05 -0.27 1.08 0.95 0.10 0.00 0.00 175.35 177.16 3pck s THR 533 N -2.02 3.45 -0.10 3.79 -4.23 -1.25 -4.75 115.64 110.52 3pck s THR 533 Ca 0.65 0.47 -0.23 0.00 -1.18 0.00 0.00 61.69 61.40 3pck s THR 533 Cb -0.14 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.61 3pck s THR 533 CO 0.18 -0.61 0.55 -1.38 -0.54 0.00 0.00 174.62 172.82 3pck s HIS 534 N -3.04 -0.53 -1.36 3.99 -3.43 -1.26 -4.94 115.29 104.72 3pck s HIS 534 Ca 0.60 1.06 -0.17 0.00 -0.80 0.00 0.00 55.06 55.75 3pck s HIS 534 Cb -0.15 0.26 0.17 0.00 -1.43 0.00 0.00 32.58 31.43 3pck s HIS 534 CO 0.55 -0.44 0.43 1.19 -2.00 0.00 0.00 174.74 174.47 3pck n PHE 535 N 1.69 -1.40 2.00 0.38 3.72 -1.26 -5.25 117.46 117.34 3pck n PHE 535 Ca -0.18 0.50 0.16 0.00 -0.05 0.00 0.00 57.45 57.88 3pck n PHE 535 Cb 0.56 -1.62 0.95 0.00 -0.94 0.00 0.00 39.48 38.43 3pck n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10