#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pch s ALA 302 N 0.00 2.63 0.05 0.55 0.00 -1.26 -5.07 121.76 118.66 3pch s ALA 302 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3pch s ALA 302 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3pch s ALA 302 CO 0.00 -1.29 -0.14 -0.65 0.00 0.00 0.00 175.76 173.68 3pch s GLN 303 N -5.07 0.88 -0.94 0.00 -0.21 -1.26 -5.09 119.66 107.97 3pch s GLN 303 Ca 0.58 -0.84 -0.20 0.00 0.02 0.00 0.00 55.36 54.92 3pch s GLN 303 Cb -0.14 -0.89 0.11 0.00 1.00 0.00 0.00 33.01 33.09 3pch s GLN 303 CO 0.55 0.21 1.20 0.34 -2.12 0.00 0.00 175.29 175.47 3pch s ASP 304 N -1.40 6.57 0.00 5.90 2.15 -1.26 -4.70 116.67 123.93 3pch s ASP 304 Ca 0.00 -1.82 0.00 0.00 0.43 0.00 0.00 52.55 51.16 3pch s ASP 304 Cb -0.09 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3pch s ASP 304 CO 0.02 -1.20 0.50 -0.46 -0.17 0.00 0.00 175.17 173.85 3pch n ASN 305 N 7.23 0.97 -4.34 -0.34 0.23 -1.26 -5.02 115.26 112.72 3pch n ASN 305 Ca 0.25 -1.15 -0.18 0.00 -0.53 0.00 0.00 54.58 52.97 3pch n ASN 305 Cb 0.49 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 3pch n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pch s SER 306 N -0.15 2.04 0.08 0.53 0.01 -1.26 -3.45 113.70 111.50 3pch s SER 306 Ca 0.00 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.12 3pch s SER 306 Cb 0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 3pch s SER 306 CO 0.00 -0.45 -0.14 -0.13 0.41 0.00 0.00 173.24 172.92 3pch s ARG 307 N -3.82 0.87 -0.07 12.44 1.81 0.72 -4.83 118.95 126.07 3pch s ARG 307 Ca 0.27 -1.02 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 3pch s ARG 307 Cb 0.05 -0.85 -0.01 0.00 -0.45 0.00 0.00 34.95 33.69 3pch s ARG 307 CO 0.09 0.18 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.58 3pch s PHE 308 N -1.47 2.47 0.24 -0.53 0.08 -1.26 -1.27 117.98 116.23 3pch s PHE 308 Ca 0.01 -0.76 -0.31 0.00 0.12 0.00 0.00 56.93 55.98 3pch s PHE 308 Cb -0.09 -1.62 -0.14 0.00 -0.57 0.00 0.00 43.02 40.60 3pch s PHE 308 CO 0.02 -0.24 1.32 0.28 -0.10 0.00 0.00 175.22 176.50 3pch n VAL 309 N 3.03 1.11 -1.73 -0.44 0.31 0.54 -4.88 118.33 116.27 3pch n VAL 309 Ca -0.18 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 3pch n VAL 309 Cb 0.52 -1.33 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 3pch n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3pch n ILE 310 N 1.57 1.51 -2.24 2.52 2.08 -1.26 -4.69 119.36 118.84 3pch n ILE 310 Ca 0.11 -0.38 -0.37 0.00 0.56 0.00 0.00 62.75 62.67 3pch n ILE 310 Cb 0.31 -1.79 -0.01 0.00 -0.75 0.00 0.00 39.64 37.39 3pch n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pch s ARG 311 N -1.26 3.80 -0.53 0.38 0.52 -1.26 -4.97 118.95 115.64 3pch s ARG 311 Ca 0.60 1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 57.43 3pch s ARG 311 Cb -0.53 -2.46 0.07 0.00 0.52 0.00 0.00 34.95 32.54 3pch s ARG 311 CO 0.56 -0.53 0.63 0.34 0.02 0.00 0.00 175.30 176.33 3pch s ASP 312 N -1.29 6.21 0.00 0.23 -1.08 -1.26 -4.94 116.67 114.54 3pch s ASP 312 Ca 0.62 -1.07 0.30 0.00 -0.52 0.00 0.00 52.55 51.89 3pch s ASP 312 Cb -0.30 -2.29 1.69 0.00 -1.46 0.00 0.00 42.92 40.56 3pch s ASP 312 CO 0.36 -0.94 2.10 0.54 0.52 0.00 0.00 175.17 177.76 3pch n ARG 313 N 6.16 0.74 0.01 4.34 1.74 -1.26 -2.34 116.66 126.05 3pch n ARG 313 Ca -0.08 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.12 3pch n ARG 313 Cb 0.44 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 3pch n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pch n ASN 314 N -1.12 0.23 -0.07 0.55 3.02 -1.26 -4.40 115.26 112.21 3pch n ASN 314 Ca 0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.63 3pch n ASN 314 Cb 0.16 1.62 -0.10 0.00 -0.61 0.00 0.00 39.78 40.85 3pch n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pch h TRP 315 N 0.00 0.00 -4.29 3.10 2.91 -1.89 -3.44 115.95 112.35 3pch h TRP 315 Ca 0.00 0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.51 3pch h TRP 315 Cb 0.96 0.00 0.12 0.00 -0.51 0.00 0.00 29.16 29.74 3pch h TRP 315 CO 0.00 0.80 0.33 -1.01 -1.03 0.00 0.00 178.44 177.53 3pch s HIS 316 N -2.08 2.61 0.53 2.65 3.76 -1.04 -4.69 115.29 117.02 3pch s HIS 316 Ca -0.15 1.55 -0.21 0.00 -0.15 0.00 0.00 55.06 56.10 3pch s HIS 316 Cb -0.02 -3.07 -0.06 0.00 1.11 0.00 0.00 32.58 30.55 3pch s HIS 316 CO 0.52 -1.75 1.17 -1.25 -0.85 0.00 0.00 174.74 172.59 3pch s PRO 317 N -4.73 3.39 0.92 8.40 0.04 -1.26 -4.76 135.00 137.01 3pch s PRO 317 Ca 0.62 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 3pch s PRO 317 Cb -0.18 -2.14 0.15 0.00 0.04 0.00 0.00 34.50 32.37 3pch s PRO 317 CO 0.53 -0.85 1.12 0.15 0.04 0.00 0.00 177.00 177.99 3pch s LYS 318 N -3.07 1.03 -0.01 4.56 -0.14 -1.24 -4.98 119.74 115.88 3pch s LYS 318 Ca 0.71 0.37 -0.24 0.00 -1.36 0.00 0.00 55.97 55.45 3pch s LYS 318 Cb -0.28 -1.82 -0.19 0.00 -1.68 0.00 0.00 37.83 33.86 3pch s LYS 318 CO 0.32 -2.29 1.22 0.00 -0.76 0.00 0.00 175.35 173.84 3pch h ALA 319 N -1.57 0.08 -2.23 5.17 0.00 -1.95 -3.41 119.26 115.36 3pch h ALA 319 Ca -0.51 -0.33 -0.73 0.00 0.00 0.00 0.00 54.91 53.34 3pch h ALA 319 Cb 1.33 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 3pch h ALA 319 CO 0.61 -0.06 -0.22 -1.17 0.00 0.00 0.00 179.25 178.41 3pch s LEU 320 N -8.99 5.51 -0.49 0.00 2.96 -1.26 -4.75 118.68 111.65 3pch s LEU 320 Ca -0.15 -1.27 0.04 0.00 -0.22 0.00 0.00 54.13 52.52 3pch s LEU 320 Cb 0.02 -2.25 0.16 0.00 0.50 0.00 0.00 46.19 44.62 3pch s LEU 320 CO 0.72 -0.74 0.35 0.42 -1.32 0.00 0.00 176.35 175.78 3pch s THR 321 N 1.91 1.22 0.33 3.68 -4.23 -1.26 -5.03 115.64 112.25 3pch s THR 321 Ca 0.07 -3.01 0.11 0.00 -1.18 0.00 0.00 61.69 57.67 3pch s THR 321 Cb -0.23 -1.83 0.38 0.00 1.34 0.00 0.00 72.50 72.16 3pch s THR 321 CO 0.08 -1.09 1.55 -2.65 -0.54 0.00 0.00 174.62 171.96 3pch n PRO 322 N 2.82 -0.07 0.17 3.99 -0.02 -1.26 0.29 135.00 140.92 3pch n PRO 322 Ca 0.22 1.42 0.18 0.00 -2.02 0.00 0.00 63.50 63.30 3pch n PRO 322 Cb 0.41 -2.39 0.80 0.00 -0.02 0.00 0.00 33.50 32.31 3pch n PRO 322 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3pch h ASP 323 N 0.00 0.00 -3.79 2.55 3.32 -1.96 -3.09 116.42 113.45 3pch h ASP 323 Ca 0.71 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.98 3pch h ASP 323 Cb 1.68 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.97 3pch h ASP 323 CO -0.85 0.00 0.04 -0.47 -1.72 0.00 0.00 179.24 176.25 3pch s TYR 324 N -4.61 3.71 0.29 4.55 5.04 0.15 -4.86 117.35 121.60 3pch s TYR 324 Ca -0.04 -1.99 0.02 0.00 -2.44 0.00 0.00 57.07 52.61 3pch s TYR 324 Cb 0.15 -3.78 0.70 0.00 0.35 0.00 0.00 41.96 39.39 3pch s TYR 324 CO 0.54 -0.98 1.64 0.87 -1.34 0.00 0.00 175.55 176.28 3pch h LYS 325 N 7.82 0.18 0.00 4.97 1.57 -1.75 -0.88 116.57 128.47 3pch h LYS 325 Ca 0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3pch h LYS 325 Cb 1.04 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 3pch h LYS 325 CO 0.77 0.12 -0.12 1.15 -0.57 0.00 0.00 179.45 180.80 3pch h THR 326 N 0.18 0.97 0.00 -0.16 2.02 -1.92 -1.51 112.91 112.50 3pch h THR 326 Ca 0.55 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3pch h THR 326 Cb 1.11 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3pch h THR 326 CO -0.68 0.12 -0.04 0.77 0.37 0.00 0.00 175.52 176.06 3pch h SER 327 N 0.00 0.00 0.11 4.18 4.64 -1.45 -2.88 113.55 118.15 3pch h SER 327 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3pch h SER 327 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3pch h SER 327 CO 0.02 0.04 -0.27 0.40 -0.87 0.00 0.00 176.83 176.15 3pch h ILE 328 N 0.00 0.41 0.00 0.95 2.04 -1.38 -2.90 117.51 116.62 3pch h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pch h ILE 328 Cb 0.11 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3pch h ILE 328 CO 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 177.76 3pch n ALA 329 N -2.63 3.19 -1.42 1.87 0.00 -1.20 -4.09 120.51 116.24 3pch n ALA 329 Ca -0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 3pch n ALA 329 Cb 0.29 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 18.71 3pch n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pch n ARG 330 N -1.57 2.08 -4.53 0.00 1.74 -1.09 -4.95 116.66 108.33 3pch n ARG 330 Ca 0.06 -3.20 -0.21 0.00 -0.77 0.00 0.00 57.85 53.72 3pch n ARG 330 Cb 0.35 -1.97 -0.15 0.00 -1.02 0.00 0.00 32.46 29.66 3pch n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pch s SER 331 N -2.20 1.46 0.78 0.55 1.04 -1.12 -4.95 113.70 109.26 3pch s SER 331 Ca 0.50 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.58 3pch s SER 331 Cb 0.44 -0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.33 3pch s SER 331 CO 0.03 0.12 1.14 -2.84 0.98 0.00 0.00 173.24 172.66 3pch s PRO 332 N -0.05 2.00 -0.02 4.02 0.02 -1.26 -4.95 135.00 134.76 3pch s PRO 332 Ca 0.00 1.44 0.13 0.00 0.02 0.00 0.00 61.00 62.60 3pch s PRO 332 Cb -0.07 -1.85 -0.19 0.00 0.02 0.00 0.00 34.50 32.41 3pch s PRO 332 CO 0.00 -1.88 0.31 0.54 -0.33 0.00 0.00 177.00 175.64 3pch n ARG 333 N -3.32 0.63 -2.70 5.54 5.12 -1.26 -4.91 116.66 115.76 3pch n ARG 333 Ca 0.11 -0.11 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 3pch n ARG 333 Cb 0.52 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.53 3pch n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pch s GLN 334 N -2.82 3.56 0.47 5.56 -1.52 -1.26 -5.05 119.66 118.59 3pch s GLN 334 Ca -0.04 0.19 -0.21 0.00 -1.95 0.00 0.00 55.36 53.35 3pch s GLN 334 Cb 0.08 -2.39 -0.08 0.00 -0.22 0.00 0.00 33.01 30.40 3pch s GLN 334 CO 0.53 -0.17 1.06 0.00 -0.25 0.00 0.00 175.29 176.46 3pch s ALA 335 N -2.69 2.90 0.61 6.09 0.00 -1.26 -5.01 121.76 122.40 3pch s ALA 335 Ca 0.47 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.92 3pch s ALA 335 Cb -0.10 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3pch s ALA 335 CO 0.43 -0.36 1.20 -0.51 0.00 0.00 0.00 175.76 176.53 3pch s LEU 336 N -3.33 3.62 -0.27 0.00 1.43 -1.26 -4.98 118.68 113.88 3pch s LEU 336 Ca 0.66 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 56.03 3pch s LEU 336 Cb -0.19 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.39 3pch s LEU 336 CO 0.23 -1.67 0.16 -0.69 0.23 0.00 0.00 176.35 174.61 3pch s VAL 337 N -1.67 5.02 0.17 -1.59 1.01 -1.26 -5.06 120.40 117.03 3pch s VAL 337 Ca 0.77 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3pch s VAL 337 Cb -0.30 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 3pch s VAL 337 CO 0.35 0.27 0.96 -0.44 0.00 0.00 0.00 175.10 176.23 3pch s SER 338 N 1.72 7.56 0.05 3.32 0.01 -1.26 -5.05 113.70 120.04 3pch s SER 338 Ca 0.07 1.88 0.02 0.00 1.31 0.00 0.00 55.95 59.22 3pch s SER 338 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 3pch s SER 338 CO 0.09 0.04 -0.06 0.27 0.41 0.00 0.00 173.24 173.98 3pch s ILE 339 N -0.57 0.46 0.72 1.44 -4.36 -1.26 -5.15 121.20 112.48 3pch s ILE 339 Ca 0.44 -1.19 -0.14 0.00 -0.26 0.00 0.00 60.65 59.50 3pch s ILE 339 Cb -0.25 -0.72 0.03 0.00 1.25 0.00 0.00 42.46 42.78 3pch s ILE 339 CO 0.31 -0.50 1.16 -2.16 0.24 0.00 0.00 174.94 173.99 3pch s PRO 340 N -1.95 2.34 0.29 0.37 0.04 -1.26 -4.97 135.00 129.86 3pch s PRO 340 Ca -0.08 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 3pch s PRO 340 Cb -0.07 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3pch s PRO 340 CO -0.01 -1.64 1.05 -0.65 0.04 0.00 0.00 177.00 175.79 3pch s GLN 341 N -4.09 4.63 0.33 4.56 -0.21 -1.26 -5.01 119.66 118.61 3pch s GLN 341 Ca 0.70 1.67 0.05 0.00 0.02 0.00 0.00 55.36 57.81 3pch s GLN 341 Cb -0.24 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 3pch s GLN 341 CO 0.45 0.24 0.22 -1.54 -2.12 0.00 0.00 175.29 172.54 3pch s SER 342 N -1.07 1.80 0.52 5.90 1.04 -1.26 -5.02 113.70 115.61 3pch s SER 342 Ca 0.46 -1.69 0.18 0.00 0.48 0.00 0.00 55.95 55.38 3pch s SER 342 Cb -0.29 0.51 1.28 0.00 0.10 0.00 0.00 66.02 67.63 3pch s SER 342 CO 0.37 -0.99 2.11 -0.29 0.98 0.00 0.00 173.24 175.41 3pch h ILE 343 N 2.10 0.95 -0.42 -1.02 2.10 -1.95 -0.52 117.51 118.75 3pch h ILE 343 Ca -0.29 -0.01 0.04 0.00 1.08 0.00 0.00 64.86 65.68 3pch h ILE 343 Cb 1.25 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 37.86 3pch h ILE 343 CO 0.44 0.00 0.20 0.28 -1.08 0.00 0.00 178.15 178.00 3pch h SER 344 N 0.02 0.29 0.66 2.19 0.02 -1.96 -2.96 113.55 111.81 3pch h SER 344 Ca 0.06 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 3pch h SER 344 Cb 0.22 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3pch h SER 344 CO -0.00 0.21 -1.45 -0.62 -1.14 0.00 0.00 176.83 173.83 3pch n GLU 345 N -4.93 0.62 -0.07 3.45 4.71 -0.79 -4.28 120.64 119.35 3pch n GLU 345 Ca 0.02 0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.45 3pch n GLU 345 Cb 0.11 -1.77 0.36 0.00 -1.01 0.00 0.00 31.44 29.13 3pch n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pch n THR 346 N -2.80 0.18 -4.36 2.62 -2.24 -0.27 -2.86 114.28 104.55 3pch n THR 346 Ca -0.09 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.04 3pch n THR 346 Cb 0.79 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.52 3pch n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pch s THR 347 N -1.82 2.43 0.12 4.28 -4.23 -1.12 -4.66 115.64 110.64 3pch s THR 347 Ca 0.34 -1.94 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 3pch s THR 347 Cb 0.19 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.26 3pch s THR 347 CO 0.29 -0.13 1.07 -0.83 -0.54 0.00 0.00 174.62 174.48 3pch s GLY 348 N -3.74 -0.18 0.55 3.99 0.00 -1.23 -1.71 107.32 105.00 3pch s GLY 348 Ca 0.36 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 45.02 3pch s GLY 348 CO 0.20 0.90 1.08 2.56 0.00 0.00 0.00 173.10 177.83 3pch s PRO 349 N -2.75 3.45 -0.16 2.90 0.04 -1.26 -4.86 135.00 132.36 3pch s PRO 349 Ca 0.16 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.60 3pch s PRO 349 Cb -0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3pch s PRO 349 CO 0.02 -0.73 -0.16 1.21 0.04 0.00 0.00 177.00 177.38 3pch s ASN 350 N -2.20 2.80 -0.10 6.66 3.84 -1.26 -4.87 114.94 119.82 3pch s ASN 350 Ca 0.68 -0.53 0.13 0.00 0.21 0.00 0.00 52.86 53.34 3pch s ASN 350 Cb -0.19 -1.26 0.53 0.00 -0.55 0.00 0.00 41.25 39.78 3pch s ASN 350 CO 0.28 -0.04 1.39 0.49 -2.79 0.00 0.00 177.10 176.43 3pch n PHE 351 N 4.70 1.15 -0.06 0.43 3.72 -1.26 -4.49 117.46 121.65 3pch n PHE 351 Ca -0.18 -0.44 0.20 0.00 -0.05 0.00 0.00 57.45 56.98 3pch n PHE 351 Cb 0.50 -0.23 0.65 0.00 -0.94 0.00 0.00 39.48 39.47 3pch n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pch h SER 352 N 2.93 0.09 0.03 4.37 0.02 -1.96 0.97 113.55 120.00 3pch h SER 352 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pch h SER 352 Cb 1.19 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3pch h SER 352 CO 0.20 0.05 -0.09 1.41 -1.14 0.00 0.00 176.83 177.26 3pch n HIS 353 N -4.39 0.00 -1.97 3.45 8.25 -1.26 -4.92 115.22 114.39 3pch n HIS 353 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 3pch n HIS 353 Cb 0.63 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 3pch n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pch s LEU 354 N -2.13 4.38 -0.99 2.41 2.96 0.33 -4.90 118.68 120.73 3pch s LEU 354 Ca 0.32 2.79 -0.20 0.00 -0.22 0.00 0.00 54.13 56.83 3pch s LEU 354 Cb 0.20 -3.64 0.11 0.00 0.50 0.00 0.00 46.19 43.36 3pch s LEU 354 CO 0.38 -0.72 1.27 -0.83 -1.32 0.00 0.00 176.35 175.13 3pch s GLY 355 N 0.02 1.75 0.29 7.98 0.00 -1.26 -5.01 107.32 111.10 3pch s GLY 355 Ca 0.55 -2.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.33 3pch s GLY 355 CO 0.51 2.24 1.02 -1.36 0.00 0.00 0.00 173.10 175.51 3pch s PHE 356 N 3.35 3.68 0.70 1.90 0.08 -1.26 -5.05 117.98 121.38 3pch s PHE 356 Ca 0.38 1.77 -0.11 0.00 0.12 0.00 0.00 56.93 59.09 3pch s PHE 356 Cb -0.03 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.33 3pch s PHE 356 CO -0.08 -0.13 1.08 0.20 -0.10 0.00 0.00 175.22 176.19 3pch s GLY 357 N -1.20 1.64 0.33 4.36 0.00 -1.26 -4.97 107.32 106.22 3pch s GLY 357 Ca 0.46 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.96 3pch s GLY 357 CO 0.33 0.10 1.93 0.00 0.00 0.00 0.00 173.10 175.46 3pch h ALA 358 N -0.66 1.61 -0.22 3.20 0.00 -2.03 -2.78 119.26 118.38 3pch h ALA 358 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3pch h ALA 358 Cb 1.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3pch h ALA 358 CO 0.63 0.26 -0.07 0.72 0.00 0.00 0.00 179.25 180.78 3pch n HIS 359 N -4.49 0.73 -0.02 0.00 8.25 -1.26 -4.73 115.22 113.70 3pch n HIS 359 Ca 0.13 -1.23 0.14 0.00 -0.26 0.00 0.00 57.72 56.50 3pch n HIS 359 Cb 0.23 -0.34 0.58 0.00 1.12 0.00 0.00 29.99 31.57 3pch n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pch h ASP 360 N 1.09 0.21 -0.53 0.41 5.19 -1.78 -1.32 116.42 119.69 3pch h ASP 360 Ca 0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3pch h ASP 360 Cb 1.40 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3pch h ASP 360 CO 0.22 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.47 3pch n HIS 361 N -4.45 0.70 -3.93 4.55 1.44 -1.18 -1.71 115.22 110.63 3pch n HIS 361 Ca 0.08 -0.40 -0.30 0.00 -2.01 0.00 0.00 57.72 55.09 3pch n HIS 361 Cb 0.42 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.38 3pch n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pch s ASP 362 N -1.15 4.32 0.00 4.39 2.15 -0.50 -1.82 116.67 124.06 3pch s ASP 362 Ca 0.40 -2.79 0.09 0.00 0.43 0.00 0.00 52.55 50.68 3pch s ASP 362 Cb 0.22 -1.55 0.47 0.00 -0.30 0.00 0.00 42.92 41.75 3pch s ASP 362 CO 0.29 -0.27 1.11 0.18 -0.17 0.00 0.00 175.17 176.31 3pch n LEU 363 N 3.40 0.00 0.06 -1.34 4.32 -0.11 -0.56 117.00 122.78 3pch n LEU 363 Ca 0.05 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 3pch n LEU 363 Cb 0.34 -0.20 -0.05 0.00 -1.62 0.00 0.00 43.42 41.89 3pch n LEU 363 CO 0.30 -0.15 -0.04 -0.07 -1.22 0.00 0.00 177.39 176.21 3pch h LEU 364 N 0.00 0.00 -0.18 2.23 4.07 -1.91 -3.39 115.31 116.12 3pch h LEU 364 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pch h LEU 364 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3pch h LEU 364 CO 0.00 0.59 0.00 0.18 -1.08 0.00 0.00 178.44 178.13 3pch n LEU 365 N -3.02 0.18 0.00 1.67 4.77 -0.46 -4.55 117.00 115.60 3pch n LEU 365 Ca -0.06 -0.45 0.12 0.00 -0.03 0.00 0.00 56.01 55.59 3pch n LEU 365 Cb 0.82 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.64 3pch n LEU 365 CO 0.42 0.05 0.95 -0.46 -1.33 0.00 0.00 177.39 177.02 3pch n ASN 366 N -0.54 0.00 0.12 -1.43 0.23 0.28 -5.02 115.26 108.89 3pch n ASN 366 Ca 0.00 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 3pch n ASN 366 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3pch n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pch n PHE 367 N -0.91 -1.82 0.00 -2.53 7.35 -1.26 -4.95 117.46 113.35 3pch n PHE 367 Ca 0.18 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 3pch n PHE 367 Cb 0.08 0.43 0.00 0.00 0.35 0.00 0.00 39.48 40.34 3pch n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pch n GLY 371 N 2.05 0.00 3.86 7.13 0.00 -1.26 -4.25 105.19 112.72 3pch n GLY 371 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3pch n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pch s LEU 372 N 0.00 4.28 0.67 0.99 2.96 -1.26 -4.80 118.68 121.51 3pch s LEU 372 Ca 0.00 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 3pch s LEU 372 Cb 0.00 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.46 3pch s LEU 372 CO 0.00 0.35 1.21 -2.84 -1.32 0.00 0.00 176.35 173.75 3pch s PRO 373 N -1.36 2.49 0.12 0.98 0.02 -1.26 -4.82 135.00 131.18 3pch s PRO 373 Ca 0.19 1.80 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 3pch s PRO 373 Cb -0.12 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 3pch s PRO 373 CO 0.09 -1.57 0.59 0.42 -0.33 0.00 0.00 177.00 176.20 3pch s ILE 374 N -1.80 4.73 0.00 2.83 1.01 -1.26 -4.98 121.20 121.73 3pch s ILE 374 Ca 0.76 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.54 3pch s ILE 374 Cb -0.30 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3pch s ILE 374 CO 0.41 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.37 3pch n GLY 375 N 1.30 2.58 3.61 6.18 0.00 -1.26 -4.49 105.19 113.10 3pch n GLY 375 Ca -0.08 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3pch n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pch s GLU 376 N -1.79 3.71 -0.04 1.61 2.02 -1.26 -4.91 118.70 118.04 3pch s GLU 376 Ca 0.00 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.73 3pch s GLU 376 Cb 0.00 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3pch s GLU 376 CO 0.00 -1.39 1.35 1.03 0.02 0.00 0.00 175.26 176.27 3pch s ARG 377 N 4.62 4.29 0.05 1.61 0.52 -1.26 -0.40 118.95 128.38 3pch s ARG 377 Ca 0.59 1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 57.63 3pch s ARG 377 Cb -0.15 -3.62 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 3pch s ARG 377 CO 0.29 -0.57 0.03 0.96 0.02 0.00 0.00 175.30 176.03 3pch s ILE 378 N 2.58 0.18 -0.08 1.52 -4.36 -0.56 -1.60 121.20 118.88 3pch s ILE 378 Ca 0.61 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 59.53 3pch s ILE 378 Cb -0.29 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 3pch s ILE 378 CO 0.24 -0.82 -0.08 -0.63 0.24 0.00 0.00 174.94 173.89 3pch s ILE 379 N -3.44 3.56 -0.29 8.37 1.01 0.30 -0.70 121.20 130.01 3pch s ILE 379 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3pch s ILE 379 Cb 0.04 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 40.12 3pch s ILE 379 CO -0.08 0.58 -0.04 -0.69 0.00 0.00 0.00 174.94 174.71 3pch s VAL 380 N -0.62 2.55 0.13 2.92 1.01 0.26 -0.57 120.40 126.09 3pch s VAL 380 Ca 0.09 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.48 3pch s VAL 380 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3pch s VAL 380 CO 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 175.10 174.90 3pch s ALA 381 N 1.14 1.25 0.00 5.51 0.00 -0.51 -0.65 121.76 128.51 3pch s ALA 381 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3pch s ALA 381 Cb -0.20 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3pch s ALA 381 CO -0.04 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3pch n GLY 382 N -0.14 -1.28 3.20 0.00 0.00 -0.86 0.31 105.19 106.43 3pch n GLY 382 Ca -0.11 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 3pch n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pch s ARG 383 N -0.48 0.90 -0.20 1.61 3.52 -1.25 -1.12 118.95 121.93 3pch s ARG 383 Ca 0.00 -1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 54.54 3pch s ARG 383 Cb 0.00 -0.97 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 3pch s ARG 383 CO 0.00 0.22 -0.02 0.08 -0.81 0.00 0.00 175.30 174.77 3pch s VAL 384 N -1.26 3.75 0.29 7.11 1.01 0.33 -0.53 120.40 131.10 3pch s VAL 384 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3pch s VAL 384 Cb -0.10 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3pch s VAL 384 CO 0.03 0.43 0.09 0.68 0.00 0.00 0.00 175.10 176.33 3pch s VAL 385 N 1.10 0.74 0.59 2.92 -7.23 0.36 -0.93 120.40 117.94 3pch s VAL 385 Ca 0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 3pch s VAL 385 Cb -0.14 -2.66 0.09 0.00 0.56 0.00 0.00 36.38 34.23 3pch s VAL 385 CO 0.01 0.00 0.80 1.51 -0.31 0.00 0.00 175.10 177.11 3pch s ASP 386 N -3.39 5.03 0.55 4.85 1.47 0.43 0.58 116.67 126.19 3pch s ASP 386 Ca 0.36 -0.91 0.37 0.00 1.18 0.00 0.00 52.55 53.55 3pch s ASP 386 Cb 0.08 0.41 1.81 0.00 -0.34 0.00 0.00 42.92 44.87 3pch s ASP 386 CO 0.15 -1.39 2.10 1.56 0.68 0.00 0.00 175.17 178.26 3pch h GLN 387 N 0.15 0.00 -0.02 2.11 4.20 -1.29 -0.99 115.11 119.27 3pch h GLN 387 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3pch h GLN 387 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3pch h GLN 387 CO 0.41 0.00 -0.00 0.66 -0.67 0.00 0.00 178.83 179.23 3pch n TYR 388 N -2.91 0.00 -0.84 2.96 4.01 -1.26 -4.92 117.16 114.20 3pch n TYR 388 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3pch n TYR 388 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3pch n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pch n GLY 389 N 1.21 0.53 3.72 2.72 0.00 -0.38 -5.04 105.19 107.96 3pch n GLY 389 Ca 0.18 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3pch n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pch s LYS 390 N -0.81 4.52 0.55 1.61 2.20 -1.26 -4.74 119.74 121.82 3pch s LYS 390 Ca 0.00 1.16 -0.21 0.00 -0.36 0.00 0.00 55.97 56.56 3pch s LYS 390 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3pch s LYS 390 CO 0.00 0.10 1.30 -2.14 -0.36 0.00 0.00 175.35 174.25 3pch s PRO 391 N 0.55 3.12 -0.55 4.03 0.02 -1.26 -0.43 135.00 140.48 3pch s PRO 391 Ca 0.43 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 3pch s PRO 391 Cb -0.20 -2.17 0.14 0.00 0.02 0.00 0.00 34.50 32.29 3pch s PRO 391 CO 0.24 -1.16 0.34 0.08 -0.33 0.00 0.00 177.00 176.17 3pch s VAL 392 N -1.40 3.33 0.58 3.83 1.01 -0.11 -4.82 120.40 122.83 3pch s VAL 392 Ca 0.73 -2.81 -0.09 0.00 0.00 0.00 0.00 61.98 59.80 3pch s VAL 392 Cb -0.37 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3pch s VAL 392 CO 0.42 -0.81 0.96 -2.16 0.00 0.00 0.00 175.10 173.51 3pch s PRO 393 N 0.19 3.57 -1.67 2.72 0.04 -1.26 -4.26 135.00 134.33 3pch s PRO 393 Ca 0.15 0.58 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 3pch s PRO 393 Cb -0.22 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.29 3pch s PRO 393 CO -0.03 -0.47 0.68 0.09 0.04 0.00 0.00 177.00 177.30 3pch n ASN 394 N -2.61 -2.52 -4.66 6.66 5.03 -0.42 -4.92 115.26 111.82 3pch n ASN 394 Ca 0.04 -1.05 -0.28 0.00 0.87 0.00 0.00 54.58 54.17 3pch n ASN 394 Cb 0.54 -2.64 -0.08 0.00 -1.02 0.00 0.00 39.78 36.59 3pch n ASN 394 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3pch s THR 395 N -3.44 3.79 -0.12 3.41 -1.32 -1.26 -4.53 115.64 112.17 3pch s THR 395 Ca 0.60 -1.27 -0.22 0.00 -1.21 0.00 0.00 61.69 59.59 3pch s THR 395 Cb -0.33 -2.86 -0.03 0.00 -1.51 0.00 0.00 72.50 67.77 3pch s THR 395 CO 0.94 -0.02 0.68 -0.22 -2.21 0.00 0.00 174.62 173.79 3pch s LEU 396 N -2.67 4.24 -0.14 9.08 2.96 -1.26 0.27 118.68 131.16 3pch s LEU 396 Ca 0.26 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 3pch s LEU 396 Cb -0.10 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.58 3pch s LEU 396 CO 0.18 -0.19 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.12 3pch s VAL 397 N 1.30 2.14 0.03 1.68 1.01 -0.28 -0.99 120.40 125.29 3pch s VAL 397 Ca 0.34 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3pch s VAL 397 Cb -0.17 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3pch s VAL 397 CO 0.14 0.54 -0.18 -1.61 0.00 0.00 0.00 175.10 174.00 3pch s GLU 398 N 0.81 1.26 0.04 2.72 2.02 0.34 -0.39 118.70 125.50 3pch s GLU 398 Ca -0.07 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.06 3pch s GLU 398 Cb -0.15 -1.31 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 3pch s GLU 398 CO -0.02 0.34 0.08 0.00 0.02 0.00 0.00 175.26 175.68 3pch s MET 399 N -0.98 0.57 0.03 1.61 0.23 0.03 -0.29 119.30 120.50 3pch s MET 399 Ca 0.06 -0.76 -0.11 0.00 -1.03 0.00 0.00 55.69 53.85 3pch s MET 399 Cb -0.08 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 3pch s MET 399 CO 0.01 -0.14 0.22 1.67 -2.03 0.00 0.00 175.02 174.75 3pch s TRP 400 N -2.57 -0.00 0.21 3.16 -2.14 -0.85 -1.33 118.94 115.42 3pch s TRP 400 Ca -0.05 -0.15 -0.23 0.00 2.66 0.00 0.00 56.10 58.33 3pch s TRP 400 Cb -0.01 0.01 0.05 0.00 -3.10 0.00 0.00 33.47 30.42 3pch s TRP 400 CO -0.04 -0.43 0.89 1.14 -2.66 0.00 0.00 176.95 175.85 3pch s GLN 401 N -2.30 1.46 0.82 3.25 -2.07 -0.64 0.23 119.66 120.41 3pch s GLN 401 Ca -0.07 -0.84 -0.08 0.00 -1.82 0.00 0.00 55.36 52.55 3pch s GLN 401 Cb -0.02 0.47 0.15 0.00 -1.09 0.00 0.00 33.01 32.52 3pch s GLN 401 CO -0.02 -0.67 1.13 0.00 -1.32 0.00 0.00 175.29 174.41 3pch s ALA 402 N -3.21 3.02 0.84 2.60 0.00 -1.26 -4.58 121.76 119.17 3pch s ALA 402 Ca 0.13 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 3pch s ALA 402 Cb -0.03 -2.41 0.13 0.00 0.00 0.00 0.00 23.12 20.81 3pch s ALA 402 CO 0.05 -1.84 0.82 0.27 0.00 0.00 0.00 175.76 175.06 3pch n ASN 403 N -3.23 0.44 0.31 0.00 0.23 0.02 -4.52 115.26 108.52 3pch n ASN 403 Ca 0.14 -1.53 0.18 0.00 -0.53 0.00 0.00 54.58 52.84 3pch n ASN 403 Cb 0.60 -0.60 0.95 0.00 -2.08 0.00 0.00 39.78 38.66 3pch n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pch h ALA 404 N -1.30 1.33 -0.02 -2.53 0.00 -1.79 0.18 119.26 115.13 3pch h ALA 404 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3pch h ALA 404 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3pch h ALA 404 CO 0.23 -0.23 -0.34 0.41 0.00 0.00 0.00 179.25 179.32 3pch n GLY 405 N -1.21 0.28 1.10 0.00 0.00 -1.26 -3.46 105.19 100.62 3pch n GLY 405 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3pch n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pch n GLY 406 N 1.40 0.70 3.70 -0.02 0.00 0.56 -4.81 105.19 106.71 3pch n GLY 406 Ca 0.11 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3pch n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pch s ARG 407 N -0.67 4.18 0.25 1.61 6.06 -1.26 -4.71 118.95 124.41 3pch s ARG 407 Ca 0.00 -0.03 -0.07 0.00 -2.50 0.00 0.00 55.73 53.13 3pch s ARG 407 Cb 0.00 -3.48 -0.06 0.00 0.06 0.00 0.00 34.95 31.47 3pch s ARG 407 CO 0.00 0.14 0.53 0.71 -2.50 0.00 0.00 175.30 174.18 3pch s TYR 408 N 0.79 3.45 -1.19 5.12 1.51 -1.26 -0.80 117.35 124.98 3pch s TYR 408 Ca 0.13 0.73 -0.10 0.00 -1.01 0.00 0.00 57.07 56.82 3pch s TYR 408 Cb -0.13 -2.16 0.22 0.00 -0.11 0.00 0.00 41.96 39.78 3pch s TYR 408 CO 0.04 0.25 1.52 -2.13 -1.11 0.00 0.00 175.55 174.11 3pch n ARG 409 N -0.47 3.69 -3.73 -0.62 0.63 -1.26 -4.81 116.66 110.09 3pch n ARG 409 Ca -0.01 -4.00 -0.12 0.00 -0.92 0.00 0.00 57.85 52.79 3pch n ARG 409 Cb 0.53 -2.81 -0.11 0.00 0.45 0.00 0.00 32.46 30.52 3pch n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pch s HIS 410 N -0.15 -0.45 0.35 -0.14 2.46 -1.26 -5.06 115.29 111.03 3pch s HIS 410 Ca 0.37 1.06 0.13 0.00 0.47 0.00 0.00 55.06 57.09 3pch s HIS 410 Cb 0.01 0.16 0.96 0.00 -0.13 0.00 0.00 32.58 33.58 3pch s HIS 410 CO 0.01 -0.23 1.75 1.57 -2.47 0.00 0.00 174.74 175.37 3pch h LYS 411 N 5.97 0.51 0.00 2.88 2.10 -2.07 -0.89 116.57 125.07 3pch h LYS 411 Ca -0.30 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 3pch h LYS 411 Cb 1.18 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3pch h LYS 411 CO 0.28 0.34 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 3pch n ASN 412 N -4.77 0.00 -4.50 7.07 5.03 -1.26 -4.70 115.26 112.14 3pch n ASN 412 Ca 0.26 -0.20 -0.43 0.00 0.87 0.00 0.00 54.58 55.08 3pch n ASN 412 Cb 0.78 -0.26 -0.07 0.00 -1.02 0.00 0.00 39.78 39.21 3pch n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pch s ASP 413 N -2.52 6.28 -0.31 6.41 2.15 -0.34 -4.89 116.67 123.45 3pch s ASP 413 Ca 0.29 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 52.84 3pch s ASP 413 Cb 0.20 -2.30 0.50 0.00 -0.30 0.00 0.00 42.92 41.01 3pch s ASP 413 CO 0.44 -0.79 1.45 0.54 -0.17 0.00 0.00 175.17 176.64 3pch n ARG 414 N 6.20 2.04 -2.37 4.34 5.12 -1.26 -4.88 116.66 125.85 3pch n ARG 414 Ca -0.03 -3.31 -0.38 0.00 -1.93 0.00 0.00 57.85 52.19 3pch n ARG 414 Cb 0.47 -1.88 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 3pch n ARG 414 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3pch s TYR 415 N -3.32 3.14 0.38 -1.55 5.04 -1.26 -4.92 117.35 114.85 3pch s TYR 415 Ca 0.46 1.59 0.39 0.00 -2.44 0.00 0.00 57.07 57.07 3pch s TYR 415 Cb 0.41 -3.32 1.92 0.00 0.35 0.00 0.00 41.96 41.32 3pch s TYR 415 CO -0.01 -1.11 2.18 1.37 -1.34 0.00 0.00 175.55 176.64 3pch h LEU 416 N 2.63 0.00 -9.79 6.97 -0.00 -1.99 -3.44 115.31 109.70 3pch h LEU 416 Ca -0.48 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.87 3pch h LEU 416 Cb 1.23 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 41.94 3pch h LEU 416 CO 0.63 0.00 0.66 0.00 -0.00 0.00 0.00 178.44 179.72 3pch s ALA 417 N -3.91 3.53 0.73 0.17 0.00 -1.26 -4.96 121.76 116.05 3pch s ALA 417 Ca -0.02 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 3pch s ALA 417 Cb 0.11 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.78 3pch s ALA 417 CO 0.46 -0.60 1.13 -1.25 0.00 0.00 0.00 175.76 175.51 3pch s PRO 418 N -1.00 2.31 0.64 0.00 0.04 -1.26 -4.75 135.00 130.98 3pch s PRO 418 Ca 0.53 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3pch s PRO 418 Cb -0.39 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3pch s PRO 418 CO 0.46 -1.64 1.04 -0.51 0.04 0.00 0.00 177.00 176.38 3pch s LEU 419 N -5.37 3.19 -0.29 -3.56 1.43 -1.26 -4.75 118.68 108.07 3pch s LEU 419 Ca 0.67 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 3pch s LEU 419 Cb -0.22 -4.46 0.03 0.00 0.03 0.00 0.00 46.19 41.57 3pch s LEU 419 CO 0.47 -1.03 0.02 -0.62 0.23 0.00 0.00 176.35 175.43 3pch s ASP 420 N -4.09 4.86 0.59 2.29 -1.08 -1.26 -4.99 116.67 112.98 3pch s ASP 420 Ca 0.56 -0.94 0.29 0.00 -0.52 0.00 0.00 52.55 51.93 3pch s ASP 420 Cb -0.12 -1.78 1.61 0.00 -1.46 0.00 0.00 42.92 41.18 3pch s ASP 420 CO 0.54 -0.21 2.05 1.55 0.52 0.00 0.00 175.17 179.62 3pch h PRO 421 N 8.12 0.00 -0.60 4.34 0.13 -1.97 -1.34 132.00 140.67 3pch h PRO 421 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3pch h PRO 421 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3pch h PRO 421 CO 0.58 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 3pch n ASN 422 N -3.77 3.54 -4.09 1.44 5.03 -1.26 -4.91 115.26 111.23 3pch n ASN 422 Ca 0.03 -1.99 -0.27 0.00 0.87 0.00 0.00 54.58 53.22 3pch n ASN 422 Cb 0.41 -0.40 -0.17 0.00 -1.02 0.00 0.00 39.78 38.60 3pch n ASN 422 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3pch s PHE 423 N -1.20 1.81 -0.08 3.10 5.36 -0.51 -4.15 117.98 122.31 3pch s PHE 423 Ca 0.44 -0.70 -0.07 0.00 -0.96 0.00 0.00 56.93 55.64 3pch s PHE 423 Cb 0.23 -1.27 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 3pch s PHE 423 CO 0.31 -0.32 -0.13 0.41 -1.46 0.00 0.00 175.22 174.03 3pch n GLY 424 N 3.70 -0.59 0.00 13.12 0.00 -1.26 -4.70 105.19 115.46 3pch n GLY 424 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3pch n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pch n GLY 425 N 1.56 1.32 3.10 -0.02 0.00 -1.26 -4.49 105.19 105.39 3pch n GLY 425 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3pch n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pch s VAL 426 N -2.00 1.01 0.10 1.61 1.01 -1.26 -1.61 120.40 119.26 3pch s VAL 426 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 3pch s VAL 426 Cb 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.55 3pch s VAL 426 CO 0.00 0.18 0.42 -0.83 0.00 0.00 0.00 175.10 174.87 3pch s GLY 427 N -0.56 -0.29 0.03 4.51 0.00 -0.45 -4.73 107.32 105.83 3pch s GLY 427 Ca 0.04 0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 3pch s GLY 427 CO 0.00 -0.18 0.40 1.09 0.00 0.00 0.00 173.10 174.41 3pch s ARG 428 N -3.44 0.87 -0.27 2.90 1.70 -0.69 -0.79 118.95 119.22 3pch s ARG 428 Ca 0.01 -0.30 -0.23 0.00 -0.47 0.00 0.00 55.73 54.74 3pch s ARG 428 Cb 0.01 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.85 3pch s ARG 428 CO -0.09 -0.28 0.70 0.00 -1.08 0.00 0.00 175.30 174.54 3pch s LEU 430 N 0.64 4.34 0.65 0.00 2.96 -1.26 -1.12 118.68 124.88 3pch s LEU 430 Ca -0.02 0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 54.49 3pch s LEU 430 Cb -0.05 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 3pch s LEU 430 CO -0.03 0.16 1.16 0.42 -1.32 0.00 0.00 176.35 176.73 3pch s THR 431 N -0.07 2.83 0.25 3.68 -4.23 0.14 -4.84 115.64 113.40 3pch s THR 431 Ca 0.22 0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 61.14 3pch s THR 431 Cb -0.15 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.72 3pch s THR 431 CO 0.09 -0.19 0.33 -0.90 -0.54 0.00 0.00 174.62 173.42 3pch n ASP 432 N -2.17 0.15 -0.04 3.99 5.68 -0.26 -1.30 116.55 122.61 3pch n ASP 432 Ca 0.12 -1.20 0.22 0.00 -0.50 0.00 0.00 54.79 53.44 3pch n ASP 432 Cb 0.51 -0.24 0.70 0.00 -1.14 0.00 0.00 41.12 40.95 3pch n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pch h SER 433 N -0.37 0.00 -0.62 -1.12 0.02 -1.95 -0.65 113.55 108.86 3pch h SER 433 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3pch h SER 433 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3pch h SER 433 CO 0.09 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.25 3pch n ASP 434 N -4.31 3.46 -0.07 3.07 8.00 -1.26 -4.60 116.55 120.84 3pch n ASP 434 Ca 0.12 -1.99 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 3pch n ASP 434 Cb 0.69 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3pch n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pch n GLY 435 N 1.53 0.49 3.83 0.44 0.00 -0.25 -4.74 105.19 106.49 3pch n GLY 435 Ca 0.22 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3pch n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pch s TYR 436 N -1.99 3.72 0.11 1.61 2.02 -1.26 0.12 117.35 121.68 3pch s TYR 436 Ca 0.00 1.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.78 3pch s TYR 436 Cb 0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 3pch s TYR 436 CO 0.00 0.58 -0.05 1.52 -1.57 0.00 0.00 175.55 176.03 3pch s TYR 437 N -1.18 0.92 -0.02 2.71 -0.85 -0.28 -1.10 117.35 117.55 3pch s TYR 437 Ca 0.28 -0.95 -0.25 0.00 -0.52 0.00 0.00 57.07 55.64 3pch s TYR 437 Cb -0.17 -0.53 0.05 0.00 0.38 0.00 0.00 41.96 41.69 3pch s TYR 437 CO 0.16 -0.18 0.55 -1.54 -1.52 0.00 0.00 175.55 173.02 3pch s SER 438 N -3.06 -0.49 0.04 -0.18 1.04 -1.26 -2.03 113.70 107.76 3pch s SER 438 Ca 0.14 0.43 0.01 0.00 0.48 0.00 0.00 55.95 57.00 3pch s SER 438 Cb 0.06 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3pch s SER 438 CO -0.04 -0.60 -0.06 -0.36 0.98 0.00 0.00 173.24 173.17 3pch s PHE 439 N -1.55 0.52 -0.13 5.02 0.08 0.18 -4.89 117.98 117.22 3pch s PHE 439 Ca -0.10 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.45 3pch s PHE 439 Cb -0.01 -0.33 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 3pch s PHE 439 CO 0.06 -0.13 -0.23 0.50 -0.10 0.00 0.00 175.22 175.32 3pch s ARG 440 N -1.64 3.03 0.00 0.44 3.52 -0.76 -0.57 118.95 122.97 3pch s ARG 440 Ca -0.11 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 3pch s ARG 440 Cb -0.09 -2.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 3pch s ARG 440 CO -0.00 0.06 0.00 -2.37 -0.81 0.00 0.00 175.30 172.17 3pch n THR 441 N 3.87 0.00 -4.71 4.11 5.66 0.12 -0.93 114.28 122.40 3pch n THR 441 Ca -0.20 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.51 3pch n THR 441 Cb 0.52 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 3pch n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pch s ILE 442 N -2.39 2.19 -0.03 1.09 -4.36 -1.26 -1.50 121.20 114.95 3pch s ILE 442 Ca 0.00 -1.53 -0.30 0.00 -0.26 0.00 0.00 60.65 58.56 3pch s ILE 442 Cb 0.00 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 3pch s ILE 442 CO 0.00 0.26 1.43 -0.75 0.24 0.00 0.00 174.94 176.13 3pch s LYS 443 N -1.55 4.26 0.75 0.37 2.20 0.47 -4.90 119.74 121.33 3pch s LYS 443 Ca 0.13 1.98 -0.12 0.00 -0.36 0.00 0.00 55.97 57.60 3pch s LYS 443 Cb -0.10 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3pch s LYS 443 CO 0.04 -0.64 1.10 -1.25 -0.36 0.00 0.00 175.35 174.23 3pch s PRO 444 N 2.81 2.35 0.18 4.03 0.04 -1.26 -4.22 135.00 138.92 3pch s PRO 444 Ca 0.65 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.96 3pch s PRO 444 Cb -0.31 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3pch s PRO 444 CO 0.26 -1.58 0.25 0.20 0.04 0.00 0.00 177.00 176.17 3pch s GLY 445 N -3.18 1.61 1.08 0.56 0.00 -0.76 -4.71 107.32 101.91 3pch s GLY 445 Ca 0.63 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.08 3pch s GLY 445 CO 0.53 -1.15 1.06 2.56 0.00 0.00 0.00 173.10 176.10 3pch s PRO 446 N -3.37 -0.23 -0.14 2.90 0.04 -1.26 -3.96 135.00 128.98 3pch s PRO 446 Ca 0.33 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 3pch s PRO 446 Cb -0.10 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.85 3pch s PRO 446 CO 0.27 -3.23 0.59 1.52 0.04 0.00 0.00 177.00 176.19 3pch s TYR 447 N -2.69 -0.59 0.41 0.56 -0.85 -1.02 -4.16 117.35 109.01 3pch s TYR 447 Ca 0.67 1.26 -0.24 0.00 -0.52 0.00 0.00 57.07 58.24 3pch s TYR 447 Cb -0.22 0.27 -0.09 0.00 0.38 0.00 0.00 41.96 42.30 3pch s TYR 447 CO 0.61 -0.43 1.07 -1.25 -1.52 0.00 0.00 175.55 174.03 3pch s PRO 448 N -0.44 4.10 0.04 -3.49 0.04 -1.26 -0.19 135.00 133.80 3pch s PRO 448 Ca -0.06 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.48 3pch s PRO 448 Cb -0.03 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3pch s PRO 448 CO 0.05 -0.20 0.12 1.67 0.04 0.00 0.00 177.00 178.67 3pch s TRP 449 N -1.64 0.18 -1.22 0.56 1.48 -0.96 -4.89 118.94 112.46 3pch s TRP 449 Ca 0.59 -0.49 -0.17 0.00 -1.06 0.00 0.00 56.10 54.97 3pch s TRP 449 Cb -0.23 -0.12 0.11 0.00 -1.16 0.00 0.00 33.47 32.07 3pch s TRP 449 CO 0.29 -0.40 1.55 1.03 -4.06 0.00 0.00 176.95 175.36 3pch s ARG 450 N -2.80 3.98 0.00 3.25 0.52 -1.26 -4.36 118.95 118.27 3pch s ARG 450 Ca -0.03 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.02 3pch s ARG 450 Cb -0.00 -5.29 0.00 0.00 0.52 0.00 0.00 34.95 30.18 3pch s ARG 450 CO -0.05 -2.02 0.00 -1.71 0.02 0.00 0.00 175.30 171.53 3pch n ASN 451 N 7.19 0.00 -4.39 0.23 5.15 -1.26 -5.04 115.26 117.14 3pch n ASN 451 Ca 0.41 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.12 3pch n ASN 451 Cb 0.45 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.85 3pch n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pch s GLY 452 N -0.46 1.76 0.60 8.20 0.00 -1.26 -4.96 107.32 111.19 3pch s GLY 452 Ca 0.00 -1.33 0.35 0.00 0.00 0.00 0.00 44.72 43.74 3pch s GLY 452 CO 0.00 -0.66 2.22 -2.55 0.00 0.00 0.00 173.10 172.10 3pch h PRO 453 N -1.19 0.00 -1.41 2.90 0.11 -1.97 -3.26 132.00 127.18 3pch h PRO 453 Ca -0.42 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 3pch h PRO 453 Cb 1.25 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.99 3pch h PRO 453 CO 0.41 0.03 -1.11 -1.71 -0.21 0.00 0.00 178.00 175.42 3pch n ASN 454 N -3.40 0.72 -4.78 -2.05 5.15 -1.26 -5.09 115.26 104.55 3pch n ASN 454 Ca -0.02 -2.92 -0.37 0.00 -0.60 0.00 0.00 54.58 50.66 3pch n ASN 454 Cb 0.15 -0.34 -0.06 0.00 -0.53 0.00 0.00 39.78 38.99 3pch n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pch s ASP 455 N -2.55 6.65 -0.07 1.20 1.01 -1.23 -5.07 116.67 116.61 3pch s ASP 455 Ca 0.33 0.78 -0.00 0.00 0.71 0.00 0.00 52.55 54.37 3pch s ASP 455 Cb 0.39 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 42.11 3pch s ASP 455 CO -0.03 0.18 -0.04 0.26 0.21 0.00 0.00 175.17 175.74 3pch s TRP 456 N -0.20 0.97 0.21 4.23 0.52 -1.26 -2.25 118.94 121.16 3pch s TRP 456 Ca 0.22 -0.36 -0.30 0.00 0.02 0.00 0.00 56.10 55.68 3pch s TRP 456 Cb -0.15 -0.89 -0.09 0.00 -1.15 0.00 0.00 33.47 31.19 3pch s TRP 456 CO 0.09 -0.33 1.23 1.03 0.02 0.00 0.00 176.95 179.00 3pch s ARG 457 N 1.45 4.46 0.72 4.98 1.81 0.73 -4.79 118.95 128.32 3pch s ARG 457 Ca -0.02 1.95 -0.15 0.00 -1.72 0.00 0.00 55.73 55.79 3pch s ARG 457 Cb -0.13 -3.21 0.04 0.00 -0.45 0.00 0.00 34.95 31.19 3pch s ARG 457 CO -0.03 -0.12 1.19 -2.14 -0.68 0.00 0.00 175.30 173.51 3pch s PRO 458 N -0.41 2.23 0.28 3.54 0.02 -1.26 -2.43 135.00 136.97 3pch s PRO 458 Ca 0.53 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3pch s PRO 458 Cb -0.34 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.20 3pch s PRO 458 CO 0.39 -1.75 1.43 0.00 -0.33 0.00 0.00 177.00 176.74 3pch n ALA 459 N -2.71 1.55 -3.47 -1.55 0.00 -1.26 -4.72 120.51 108.35 3pch n ALA 459 Ca 0.13 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 3pch n ALA 459 Cb 0.51 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 3pch n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pch s HIS 460 N -0.29 -0.57 -0.10 0.00 -3.43 -1.26 -4.03 115.29 105.62 3pch s HIS 460 Ca 0.64 0.65 0.03 0.00 -0.80 0.00 0.00 55.06 55.59 3pch s HIS 460 Cb -0.59 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.05 3pch s HIS 460 CO 0.52 -0.71 -0.21 0.42 -2.00 0.00 0.00 174.74 172.77 3pch s ILE 461 N -2.57 2.40 0.25 -5.38 1.01 -0.59 -4.64 121.20 111.68 3pch s ILE 461 Ca -0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3pch s ILE 461 Cb -0.01 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 3pch s ILE 461 CO -0.03 0.55 0.98 -1.00 0.00 0.00 0.00 174.94 175.44 3pch s HIS 462 N 0.21 3.89 0.11 3.97 3.76 0.14 -1.12 115.29 126.25 3pch s HIS 462 Ca -0.13 1.87 0.06 0.00 -0.15 0.00 0.00 55.06 56.71 3pch s HIS 462 Cb -0.16 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.44 3pch s HIS 462 CO 0.07 0.22 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.96 3pch s PHE 463 N -1.15 1.44 -0.02 1.40 0.40 0.25 -2.00 117.98 118.30 3pch s PHE 463 Ca 0.42 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3pch s PHE 463 Cb -0.27 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.51 3pch s PHE 463 CO 0.34 0.14 0.02 0.20 0.70 0.00 0.00 175.22 176.62 3pch s GLY 464 N -2.16 0.14 -0.10 4.36 0.00 0.60 -1.25 107.32 108.92 3pch s GLY 464 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3pch s GLY 464 CO 0.03 0.69 -0.09 -0.42 0.00 0.00 0.00 173.10 173.32 3pch s ILE 465 N 1.10 1.04 -0.01 0.90 1.09 0.72 -0.51 121.20 125.52 3pch s ILE 465 Ca -0.09 -0.33 -0.19 0.00 -1.10 0.00 0.00 60.65 58.94 3pch s ILE 465 Cb -0.13 -1.03 -0.11 0.00 -1.06 0.00 0.00 42.46 40.14 3pch s ILE 465 CO -0.03 0.36 0.84 0.77 -0.10 0.00 0.00 174.94 176.78 3pch h SER 466 N 7.84 -0.58 -4.08 3.58 4.64 -1.35 -1.42 113.55 122.17 3pch h SER 466 Ca -0.30 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3pch h SER 466 Cb 1.15 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3pch h SER 466 CO 0.43 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3pch n GLY 467 N -0.09 -2.38 0.09 -0.77 0.00 -1.26 -2.49 105.19 98.28 3pch n GLY 467 Ca -0.09 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.49 3pch n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pch n PRO 468 N -0.75 0.19 -3.99 1.61 -0.04 -1.26 -4.86 135.00 125.89 3pch n PRO 468 Ca 0.00 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 3pch n PRO 468 Cb 0.00 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 3pch n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pch s SER 469 N -4.13 -0.07 0.51 3.54 1.04 -1.26 -3.48 113.70 109.85 3pch s SER 469 Ca 0.08 -0.92 0.30 0.00 0.48 0.00 0.00 55.95 55.89 3pch s SER 469 Cb 0.12 0.56 1.24 0.00 0.10 0.00 0.00 66.02 68.03 3pch s SER 469 CO 0.48 -1.09 1.94 0.16 0.98 0.00 0.00 173.24 175.72 3pch h ILE 470 N 2.30 0.24 0.00 -1.02 3.07 -1.46 -1.74 117.51 118.91 3pch h ILE 470 Ca -0.27 -0.72 -0.06 0.00 1.55 0.00 0.00 64.86 65.36 3pch h ILE 470 Cb 1.25 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 39.37 3pch h ILE 470 CO 0.38 0.09 -0.27 0.00 -1.05 0.00 0.00 178.15 177.30 3pch h ALA 471 N 1.91 1.23 0.00 0.16 0.00 -1.78 -3.03 119.26 117.76 3pch h ALA 471 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3pch h ALA 471 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3pch h ALA 471 CO 0.01 0.33 -1.40 0.25 0.00 0.00 0.00 179.25 178.44 3pch n THR 472 N -3.75 0.37 -1.62 0.00 -2.24 -0.69 -4.94 114.28 101.40 3pch n THR 472 Ca -0.01 -0.53 -0.45 0.00 -2.27 0.00 0.00 64.05 60.79 3pch n THR 472 Cb 0.37 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 3pch n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pch n LYS 473 N -2.50 1.58 -3.78 -0.78 3.00 -0.96 -4.76 118.16 109.96 3pch n LYS 473 Ca -0.02 0.56 -0.13 0.00 -0.00 0.00 0.00 58.31 58.73 3pch n LYS 473 Cb 0.56 -2.05 -0.10 0.00 0.00 0.00 0.00 35.03 33.44 3pch n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pch s LEU 474 N 0.17 0.97 -0.10 3.14 2.96 -0.53 -5.01 118.68 120.27 3pch s LEU 474 Ca 0.63 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 3pch s LEU 474 Cb -0.70 1.02 0.00 0.00 0.50 0.00 0.00 46.19 47.02 3pch s LEU 474 CO 0.57 -0.23 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.50 3pch s ILE 475 N -0.46 2.08 0.04 6.68 1.01 -1.26 -0.20 121.20 129.08 3pch s ILE 475 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3pch s ILE 475 Cb -0.04 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 3pch s ILE 475 CO 0.02 0.56 0.05 1.07 0.00 0.00 0.00 174.94 176.63 3pch n THR 476 N 3.57 0.00 -4.05 2.92 5.66 -0.38 -5.01 114.28 116.99 3pch n THR 476 Ca -0.19 -0.20 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 3pch n THR 476 Cb 0.53 0.12 -0.13 0.00 -1.55 0.00 0.00 70.33 69.29 3pch n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pch s GLN 477 N -2.10 0.33 -0.18 1.09 -0.21 -1.26 -0.59 119.66 116.74 3pch s GLN 477 Ca 0.03 -0.32 -0.08 0.00 0.02 0.00 0.00 55.36 55.02 3pch s GLN 477 Cb -0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 33.01 33.75 3pch s GLN 477 CO 0.02 0.05 0.07 -1.17 -2.12 0.00 0.00 175.29 172.15 3pch s LEU 478 N -0.57 3.90 0.29 2.90 0.20 -0.27 -4.80 118.68 120.33 3pch s LEU 478 Ca -0.03 0.13 0.10 0.00 0.69 0.00 0.00 54.13 55.02 3pch s LEU 478 Cb -0.04 -1.99 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 3pch s LEU 478 CO -0.00 0.20 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.93 3pch s TYR 479 N 0.24 2.61 -0.19 5.38 2.02 0.15 -1.54 117.35 126.02 3pch s TYR 479 Ca 0.05 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3pch s TYR 479 Cb -0.12 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3pch s TYR 479 CO -0.00 0.59 0.08 -0.06 -1.57 0.00 0.00 175.55 174.59 3pch s PHE 480 N -2.39 3.27 -0.07 2.71 0.40 -1.26 -0.02 117.98 120.62 3pch s PHE 480 Ca 0.32 0.10 -0.40 0.00 -0.60 0.00 0.00 56.93 56.35 3pch s PHE 480 Cb -0.05 -2.12 -0.18 0.00 0.51 0.00 0.00 43.02 41.18 3pch s PHE 480 CO 0.19 0.14 1.34 -1.91 0.70 0.00 0.00 175.22 175.68 3pch n GLU 481 N 3.67 0.60 -0.54 0.44 2.13 -0.65 -1.32 120.64 124.97 3pch n GLU 481 Ca -0.16 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3pch n GLU 481 Cb 0.52 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.43 3pch n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pch n GLY 482 N 2.59 1.63 3.64 8.31 0.00 -1.26 -4.98 105.19 115.13 3pch n GLY 482 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3pch n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pch s ASP 483 N -3.31 6.19 0.34 1.61 -1.08 -0.43 -4.84 116.67 115.15 3pch s ASP 483 Ca 0.00 2.47 0.24 0.00 -0.52 0.00 0.00 52.55 54.74 3pch s ASP 483 Cb 0.00 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.17 3pch s ASP 483 CO 0.00 -1.29 1.73 1.55 0.52 0.00 0.00 175.17 177.69 3pch h PRO 484 N 11.74 0.00 0.00 4.34 0.13 -1.95 -2.38 132.00 143.88 3pch h PRO 484 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 3pch h PRO 484 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3pch h PRO 484 CO 0.95 0.00 -0.45 -0.07 -0.23 0.00 0.00 178.00 178.20 3pch h LEU 485 N 0.00 0.00 -0.51 1.56 3.38 -1.95 -3.37 115.31 114.41 3pch h LEU 485 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3pch h LEU 485 Cb 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3pch h LEU 485 CO 0.00 0.45 -0.52 0.40 0.09 0.00 0.00 178.44 178.86 3pch h ILE 486 N 0.00 0.03 0.00 1.22 2.04 -1.81 -0.68 117.51 118.31 3pch h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pch h ILE 486 Cb 1.23 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3pch h ILE 486 CO 0.06 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.40 3pch n PRO 487 N -5.37 0.11 0.00 2.37 -0.04 -1.26 -2.48 135.00 128.33 3pch n PRO 487 Ca -0.01 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 3pch n PRO 487 Cb 0.34 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 3pch n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pch n MET 488 N -2.00 0.42 -2.69 0.54 2.81 -0.29 -4.94 117.12 110.97 3pch n MET 488 Ca 0.00 -0.33 -0.43 0.00 -1.81 0.00 0.00 57.70 55.13 3pch n MET 488 Cb 0.10 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 3pch n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pch h PRO 490 N 7.29 0.41 0.05 0.00 0.11 -1.90 0.38 132.00 138.33 3pch h PRO 490 Ca -0.25 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3pch h PRO 490 Cb 1.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3pch h PRO 490 CO 0.91 0.38 -0.02 0.82 -0.21 0.00 0.00 178.00 179.88 3pch h ILE 491 N 0.40 1.13 -0.01 4.15 2.04 -1.92 -2.57 117.51 120.73 3pch h ILE 491 Ca 0.10 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3pch h ILE 491 Cb 0.17 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3pch h ILE 491 CO -0.00 0.15 -0.11 0.58 0.00 0.00 0.00 178.15 178.77 3pch h VAL 492 N -0.33 0.73 0.00 1.67 2.07 -1.76 -1.04 116.25 117.59 3pch h VAL 492 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3pch h VAL 492 Cb 0.30 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3pch h VAL 492 CO 0.01 0.00 0.03 0.29 0.02 0.00 0.00 177.57 177.92 3pch n LYS 493 N -5.24 0.00 0.27 1.57 5.02 0.13 -1.25 118.16 118.67 3pch n LYS 493 Ca -0.05 0.30 0.15 0.00 -2.02 0.00 0.00 58.31 56.69 3pch n LYS 493 Cb 0.16 -1.53 0.77 0.00 -0.02 0.00 0.00 35.03 34.41 3pch n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pch h SER 494 N 0.00 0.00 -3.42 4.39 4.64 -0.76 -3.37 113.55 115.03 3pch h SER 494 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3pch h SER 494 Cb 0.06 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 3pch h SER 494 CO 0.00 0.09 0.65 -0.63 -0.87 0.00 0.00 176.83 176.07 3pch s ILE 495 N -4.07 4.60 0.22 0.95 1.01 -0.38 -3.68 121.20 119.84 3pch s ILE 495 Ca -0.02 1.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.98 3pch s ILE 495 Cb 0.12 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 38.29 3pch s ILE 495 CO 0.56 -0.46 1.62 0.00 0.00 0.00 0.00 174.94 176.65 3pch h ALA 496 N 8.27 0.87 -2.74 9.38 0.00 -1.84 -3.44 119.26 129.76 3pch h ALA 496 Ca -0.22 -0.39 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 3pch h ALA 496 Cb 1.08 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3pch h ALA 496 CO 0.98 0.63 -0.20 1.21 0.00 0.00 0.00 179.25 181.87 3pch s ASN 497 N -6.79 6.31 0.51 0.00 3.04 -1.26 -4.97 114.94 111.77 3pch s ASN 497 Ca -0.09 0.36 0.19 0.00 0.04 0.00 0.00 52.86 53.37 3pch s ASN 497 Cb 0.13 -2.22 1.28 0.00 -1.54 0.00 0.00 41.25 38.89 3pch s ASN 497 CO 0.83 -0.17 2.06 -0.65 -3.04 0.00 0.00 177.10 176.12 3pch h PRO 498 N 7.99 0.07 -0.19 0.43 0.11 -2.00 0.60 132.00 139.01 3pch h PRO 498 Ca -0.32 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3pch h PRO 498 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3pch h PRO 498 CO 0.67 0.05 -0.18 0.93 -0.21 0.00 0.00 178.00 179.26 3pch h GLU 499 N 0.08 0.33 -0.16 1.05 5.08 -1.98 -2.53 114.58 116.45 3pch h GLU 499 Ca 0.15 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3pch h GLU 499 Cb 0.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3pch h GLU 499 CO -0.01 0.50 -0.63 0.00 -1.00 0.00 0.00 179.01 177.87 3pch h ALA 500 N 1.52 0.61 -0.67 3.43 0.00 -1.24 -3.13 119.26 119.79 3pch h ALA 500 Ca 0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3pch h ALA 500 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3pch h ALA 500 CO 0.03 0.71 0.40 0.28 0.00 0.00 0.00 179.25 180.67 3pch h VAL 501 N 0.41 1.19 -0.76 0.00 2.07 -1.13 -2.36 116.25 115.66 3pch h VAL 501 Ca -0.01 -0.42 0.18 0.00 0.82 0.00 0.00 66.70 67.27 3pch h VAL 501 Cb 1.19 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3pch h VAL 501 CO 0.12 0.20 0.52 1.56 0.02 0.00 0.00 177.57 179.99 3pch h GLN 502 N 0.91 0.24 0.00 1.57 1.08 -1.41 0.12 115.11 117.61 3pch h GLN 502 Ca 0.24 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 3pch h GLN 502 Cb -0.03 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3pch h GLN 502 CO -0.05 0.16 -0.08 1.96 -0.95 0.00 0.00 178.83 179.87 3pch h GLN 503 N 0.25 0.00 -0.01 1.46 4.20 -1.45 -2.62 115.11 116.93 3pch h GLN 503 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3pch h GLN 503 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3pch h GLN 503 CO -0.09 0.08 -0.08 1.28 -0.67 0.00 0.00 178.83 179.35 3pch n LEU 504 N -3.36 1.32 -4.57 1.46 4.77 0.40 -4.87 117.00 112.15 3pch n LEU 504 Ca -0.01 -0.41 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 3pch n LEU 504 Cb 0.25 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 3pch n LEU 504 CO 0.28 0.23 -0.03 -0.63 -1.33 0.00 0.00 177.39 175.91 3pch s ILE 505 N -2.17 5.22 0.28 -0.08 1.01 -0.99 -0.67 121.20 123.80 3pch s ILE 505 Ca 0.34 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3pch s ILE 505 Cb 0.20 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 3pch s ILE 505 CO 0.40 0.06 1.15 0.00 0.00 0.00 0.00 174.94 176.54 3pch s ALA 506 N 1.93 3.43 -0.10 9.38 0.00 0.97 -4.84 121.76 132.53 3pch s ALA 506 Ca 0.11 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 3pch s ALA 506 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3pch s ALA 506 CO 0.11 -0.27 0.21 0.15 0.00 0.00 0.00 175.76 175.96 3pch s LYS 507 N -1.40 3.64 0.31 0.00 -0.14 -0.84 -1.64 119.74 119.68 3pch s LYS 507 Ca 0.46 0.00 -0.30 0.00 -1.36 0.00 0.00 55.97 54.78 3pch s LYS 507 Cb -0.34 -3.22 -0.12 0.00 -1.68 0.00 0.00 37.83 32.47 3pch s LYS 507 CO 0.43 0.70 1.51 -0.11 -0.76 0.00 0.00 175.35 177.12 3pch n LEU 508 N 2.12 4.17 -3.65 3.17 7.94 -1.26 -0.50 117.00 128.99 3pch n LEU 508 Ca -0.18 1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 3pch n LEU 508 Cb 0.54 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 3pch n LEU 508 CO 0.33 -0.02 -0.25 -0.62 -1.11 0.00 0.00 177.39 175.73 3pch s ASP 509 N 0.23 3.38 0.46 1.96 2.15 0.14 -4.79 116.67 120.20 3pch s ASP 509 Ca 0.61 -2.71 0.11 0.00 0.43 0.00 0.00 52.55 50.99 3pch s ASP 509 Cb -0.52 -0.91 1.05 0.00 -0.30 0.00 0.00 42.92 42.23 3pch s ASP 509 CO 0.54 -0.25 2.09 0.24 -0.17 0.00 0.00 175.17 177.63 3pch h MET 510 N 6.53 0.27 -0.79 4.34 2.86 -1.92 -2.65 114.93 123.57 3pch h MET 510 Ca 0.05 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3pch h MET 510 Cb 0.92 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 3pch h MET 510 CO 0.45 0.19 0.52 -0.91 1.06 0.00 0.00 176.91 178.23 3pch h ASN 511 N 0.27 0.90 0.31 1.22 2.35 -1.94 -2.81 115.58 115.87 3pch h ASN 511 Ca 0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3pch h ASN 511 Cb -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3pch h ASN 511 CO -0.01 0.65 -0.25 -3.20 -1.65 0.00 0.00 177.43 172.97 3pch n ASN 512 N -4.42 0.83 -4.78 5.81 5.15 -1.00 -4.94 115.26 111.91 3pch n ASN 512 Ca 0.09 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 53.01 3pch n ASN 512 Cb 0.04 0.09 0.04 0.00 -0.53 0.00 0.00 39.78 39.42 3pch n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pch s ALA 513 N -2.56 2.53 -0.37 5.20 0.00 -1.06 -4.77 121.76 120.72 3pch s ALA 513 Ca 0.24 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 3pch s ALA 513 Cb 0.19 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 20.06 3pch s ALA 513 CO 0.53 -1.18 0.18 -0.80 0.00 0.00 0.00 175.76 174.49 3pch s ASN 514 N -2.60 5.52 0.35 0.00 0.01 -0.06 -5.00 114.94 113.15 3pch s ASN 514 Ca 0.67 -1.24 -0.26 0.00 -0.71 0.00 0.00 52.86 51.31 3pch s ASN 514 Cb -0.20 -1.94 -0.13 0.00 0.41 0.00 0.00 41.25 39.39 3pch s ASN 514 CO 0.40 -0.41 0.98 -2.65 -1.51 0.00 0.00 177.10 173.91 3pch n PRO 515 N 4.88 1.32 -1.79 -0.60 -0.02 -1.26 -1.08 135.00 136.44 3pch n PRO 515 Ca -0.11 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.65 3pch n PRO 515 Cb 0.44 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 3pch n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pch n MET 516 N 0.51 -1.53 0.00 -0.52 2.81 -1.26 -4.70 117.12 112.42 3pch n MET 516 Ca 0.09 1.02 0.00 0.00 -1.81 0.00 0.00 57.70 57.01 3pch n MET 516 Cb 0.35 -5.46 0.00 0.00 -0.71 0.00 0.00 33.22 27.41 3pch n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pch n ASP 517 N -1.34 0.00 -3.87 7.83 2.03 -0.24 -5.16 116.55 115.80 3pch n ASP 517 Ca -0.19 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.01 3pch n ASP 517 Cb 0.62 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.93 3pch n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pch s LEU 519 N -1.95 2.82 -0.01 0.00 1.43 -0.63 -0.89 118.68 119.46 3pch s LEU 519 Ca -0.07 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3pch s LEU 519 Cb -0.02 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3pch s LEU 519 CO -0.03 -2.57 0.26 0.00 0.23 0.00 0.00 176.35 174.24 3pch s ALA 520 N -3.67 -0.64 0.02 4.21 0.00 -1.26 -0.54 121.76 119.88 3pch s ALA 520 Ca 0.73 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.94 3pch s ALA 520 Cb -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3pch s ALA 520 CO 0.51 -0.24 -0.15 0.71 0.00 0.00 0.00 175.76 176.59 3pch s TYR 521 N -1.29 1.28 -0.14 0.00 1.51 0.27 0.28 117.35 119.26 3pch s TYR 521 Ca -0.13 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3pch s TYR 521 Cb -0.06 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3pch s TYR 521 CO 0.03 0.01 -0.08 0.50 -1.11 0.00 0.00 175.55 174.91 3pch s ARG 522 N -0.78 3.55 -0.18 -0.62 6.06 0.35 -1.42 118.95 125.89 3pch s ARG 522 Ca 0.04 -0.59 -0.04 0.00 -2.50 0.00 0.00 55.73 52.64 3pch s ARG 522 Cb -0.07 -2.79 0.06 0.00 0.06 0.00 0.00 34.95 32.21 3pch s ARG 522 CO 0.00 0.23 0.07 0.12 -2.50 0.00 0.00 175.30 173.23 3pch s PHE 523 N 0.35 0.52 0.10 5.12 5.36 0.15 -1.98 117.98 127.59 3pch s PHE 523 Ca -0.07 -0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 55.31 3pch s PHE 523 Cb -0.15 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.65 3pch s PHE 523 CO 0.04 -0.56 0.31 -0.51 -1.46 0.00 0.00 175.22 173.04 3pch s ASP 524 N 2.03 6.46 -0.06 6.13 1.01 -1.26 -3.81 116.67 127.16 3pch s ASP 524 Ca 0.01 0.50 0.04 0.00 0.71 0.00 0.00 52.55 53.81 3pch s ASP 524 Cb -0.16 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 3pch s ASP 524 CO -0.10 0.12 -0.19 -0.63 0.21 0.00 0.00 175.17 174.58 3pch s ILE 525 N -1.56 1.62 -0.26 0.77 1.01 0.31 -4.93 121.20 118.16 3pch s ILE 525 Ca 0.37 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3pch s ILE 525 Cb -0.13 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3pch s ILE 525 CO 0.24 0.46 -0.02 -0.69 0.00 0.00 0.00 174.94 174.93 3pch s VAL 526 N 0.17 3.22 0.36 2.92 1.01 -1.25 -0.49 120.40 126.34 3pch s VAL 526 Ca -0.09 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3pch s VAL 526 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3pch s VAL 526 CO 0.04 0.20 0.53 -0.76 0.00 0.00 0.00 175.10 175.11 3pch s LEU 527 N 1.39 3.93 0.20 3.92 1.43 0.20 -4.91 118.68 124.84 3pch s LEU 527 Ca 0.02 0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 3pch s LEU 527 Cb -0.16 -2.98 -0.16 0.00 0.03 0.00 0.00 46.19 42.92 3pch s LEU 527 CO -0.03 -0.44 1.04 0.54 0.23 0.00 0.00 176.35 177.69 3pch n ARG 528 N -1.76 1.03 -2.11 1.70 1.74 -1.26 -1.09 116.66 114.91 3pch n ARG 528 Ca -0.02 0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 3pch n ARG 528 Cb 0.57 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3pch n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pch s GLY 529 N -0.28 2.64 -0.15 -0.13 0.00 -1.26 -4.30 107.32 103.84 3pch s GLY 529 Ca 0.69 1.24 -0.05 0.00 0.00 0.00 0.00 44.72 46.60 3pch s GLY 529 CO 0.55 2.07 0.02 1.62 0.00 0.00 0.00 173.10 177.35 3pch s GLN 530 N -0.91 3.66 0.07 2.90 0.74 -1.26 -0.34 119.66 124.51 3pch s GLN 530 Ca 0.54 -0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 3pch s GLN 530 Cb -0.40 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 3pch s GLN 530 CO 0.46 0.36 0.02 -0.98 -0.55 0.00 0.00 175.29 174.60 3pch s ARG 531 N 0.07 0.70 0.63 1.67 1.70 -0.40 -4.97 118.95 118.36 3pch s ARG 531 Ca 0.03 -1.22 -0.13 0.00 -0.47 0.00 0.00 55.73 53.94 3pch s ARG 531 Cb -0.13 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.46 3pch s ARG 531 CO 0.02 -0.16 1.04 -1.59 -1.08 0.00 0.00 175.30 173.53 3pch s LYS 532 N -3.93 3.30 0.63 3.89 -2.85 -1.26 -0.20 119.74 119.32 3pch s LYS 532 Ca 0.10 0.96 -0.14 0.00 -1.00 0.00 0.00 55.97 55.89 3pch s LYS 532 Cb 0.07 -2.04 -0.02 0.00 -2.06 0.00 0.00 37.83 33.79 3pch s LYS 532 CO -0.08 -0.81 1.06 0.95 0.10 0.00 0.00 175.35 176.57 3pch s THR 533 N -2.90 3.84 -0.18 3.79 -4.23 -1.22 -4.69 115.64 110.05 3pch s THR 533 Ca 0.59 0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 61.72 3pch s THR 533 Cb -0.13 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.40 3pch s THR 533 CO 0.48 -0.61 0.47 -1.38 -0.54 0.00 0.00 174.62 173.04 3pch s HIS 534 N -2.64 -0.55 -0.89 3.99 -3.43 -1.26 -4.91 115.29 105.60 3pch s HIS 534 Ca 0.62 1.29 -0.04 0.00 -0.80 0.00 0.00 55.06 56.13 3pch s HIS 534 Cb -0.16 0.21 0.04 0.00 -1.43 0.00 0.00 32.58 31.24 3pch s HIS 534 CO 0.43 -0.27 0.19 1.19 -2.00 0.00 0.00 174.74 174.28 3pch n PHE 535 N 3.09 -1.67 2.00 0.38 3.72 -1.26 -5.24 117.46 118.47 3pch n PHE 535 Ca -0.15 0.19 0.16 0.00 -0.05 0.00 0.00 57.45 57.60 3pch n PHE 535 Cb 0.57 -2.29 0.95 0.00 -0.94 0.00 0.00 39.48 37.77 3pch n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10