#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcz s ALA 329 N 0.00 3.01 0.77 -2.53 0.00 -1.26 -5.04 121.76 116.71 3hcz s ALA 329 Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3hcz s ALA 329 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3hcz s ALA 329 CO 0.00 -0.51 1.22 -1.25 0.00 0.00 0.00 175.76 175.21 3hcz s PRO 330 N -2.63 1.89 0.47 0.00 0.04 -1.26 -4.99 135.00 128.52 3hcz s PRO 330 Ca 0.62 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 63.23 3hcz s PRO 330 Cb -0.26 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3hcz s PRO 330 CO 0.32 -2.03 1.07 -0.51 0.04 0.00 0.00 177.00 175.90 3hcz s LEU 331 N -5.39 3.94 0.06 -3.56 1.43 -1.26 -5.06 118.68 108.83 3hcz s LEU 331 Ca 0.74 2.05 0.07 0.00 -1.03 0.00 0.00 54.13 55.97 3hcz s LEU 331 Cb -0.30 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.49 3hcz s LEU 331 CO 0.48 -0.78 -0.21 -0.76 0.23 0.00 0.00 176.35 175.31 3hcz s LEU 332 N -3.22 2.20 0.36 1.79 1.43 -1.26 -5.12 118.68 114.85 3hcz s LEU 332 Ca 0.65 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 3hcz s LEU 332 Cb -0.21 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.94 3hcz s LEU 332 CO 0.25 0.13 1.01 0.18 0.23 0.00 0.00 176.35 178.15 3hcz n LEU 333 N 1.66 2.20 0.00 1.79 4.77 -1.26 -2.93 117.00 123.23 3hcz n LEU 333 Ca -0.18 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3hcz n LEU 333 Cb 0.53 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3hcz n LEU 333 CO 0.23 -1.43 0.00 0.61 -1.33 0.00 0.00 177.39 175.47 3hcz n GLY 334 N 1.19 0.88 3.75 -0.72 0.00 0.06 -4.95 105.19 105.40 3hcz n GLY 334 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3hcz n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hcz s LYS 335 N -0.06 2.78 0.18 1.61 -0.14 -1.15 -4.83 119.74 118.13 3hcz s LYS 335 Ca 0.00 -0.78 -0.31 0.00 -1.36 0.00 0.00 55.97 53.53 3hcz s LYS 335 Cb 0.00 -2.65 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 3hcz s LYS 335 CO 0.00 0.54 1.38 0.21 -0.76 0.00 0.00 175.35 176.72 3hcz s LYS 336 N -2.52 4.33 0.47 1.68 2.20 -1.26 -0.94 119.74 123.71 3hcz s LYS 336 Ca 0.29 2.13 -0.24 0.00 -0.36 0.00 0.00 55.97 57.78 3hcz s LYS 336 Cb -0.12 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 3hcz s LYS 336 CO 0.21 -0.37 1.34 0.00 -0.36 0.00 0.00 175.35 176.18 3hcz s ALA 337 N 0.48 3.07 0.34 3.13 0.00 -0.15 -4.88 121.76 123.75 3hcz s ALA 337 Ca 0.61 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 3hcz s ALA 337 Cb -0.38 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.08 3hcz s ALA 337 CO 0.36 -1.11 1.28 -2.30 0.00 0.00 0.00 175.76 173.99 3hcz n PRO 338 N -0.45 2.10 -1.63 0.00 -0.02 -1.26 -4.94 135.00 128.81 3hcz n PRO 338 Ca 0.07 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 3hcz n PRO 338 Cb 0.44 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 3hcz n PRO 338 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hcz s ASN 339 N -0.32 4.73 -0.07 2.55 3.84 -1.26 -5.01 114.94 119.40 3hcz s ASN 339 Ca 0.55 2.15 0.03 0.00 0.21 0.00 0.00 52.86 55.80 3hcz s ASN 339 Cb -0.57 -2.57 0.01 0.00 -0.55 0.00 0.00 41.25 37.57 3hcz s ASN 339 CO 0.62 -1.89 -0.14 -0.76 -2.79 0.00 0.00 177.10 172.14 3hcz s LEU 340 N -4.98 1.72 -0.60 3.21 1.43 -1.26 -4.99 118.68 113.22 3hcz s LEU 340 Ca 0.70 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3hcz s LEU 340 Cb -0.24 -0.94 0.16 0.00 0.03 0.00 0.00 46.19 45.19 3hcz s LEU 340 CO 0.43 0.05 0.48 -0.31 0.23 0.00 0.00 176.35 177.23 3hcz s TYR 341 N 0.63 3.50 -0.04 0.29 2.02 -1.26 -1.43 117.35 121.06 3hcz s TYR 341 Ca -0.15 -2.10 -0.18 0.00 -0.37 0.00 0.00 57.07 54.27 3hcz s TYR 341 Cb -0.16 -3.52 0.03 0.00 -0.40 0.00 0.00 41.96 37.92 3hcz s TYR 341 CO 0.04 -0.96 0.40 0.95 -1.57 0.00 0.00 175.55 174.42 3hcz s THR 343 N 0.71 0.04 0.23 -0.71 -4.23 -0.08 -4.76 115.64 106.84 3hcz s THR 343 Ca 0.11 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.26 3hcz s THR 343 Cb -0.21 -0.69 0.05 0.00 1.34 0.00 0.00 72.50 72.99 3hcz s THR 343 CO -0.03 -0.18 0.32 -0.90 -0.54 0.00 0.00 174.62 173.29 3hcz n ASP 344 N 1.35 0.04 0.00 3.99 5.68 0.62 -0.82 116.55 127.41 3hcz n ASP 344 Ca -0.20 -1.13 0.06 0.00 -0.50 0.00 0.00 54.79 53.02 3hcz n ASP 344 Cb 0.56 -0.24 0.27 0.00 -1.14 0.00 0.00 41.12 40.57 3hcz n ASP 344 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hcz n THR 345 N -2.41 1.09 0.67 2.12 -2.24 -1.24 -0.37 114.28 111.90 3hcz n THR 345 Ca 0.04 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 3hcz n THR 345 Cb 0.14 -1.06 0.21 0.00 -2.10 0.00 0.00 70.33 67.52 3hcz n THR 345 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hcz n THR 346 N -1.47 0.30 -0.94 4.28 -2.24 -1.26 -4.94 114.28 108.01 3hcz n THR 346 Ca 0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3hcz n THR 346 Cb 0.14 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3hcz n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcz n GLY 347 N 1.41 0.51 3.84 3.38 0.00 0.50 -5.04 105.19 109.79 3hcz n GLY 347 Ca 0.17 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3hcz n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hcz s THR 348 N -2.00 5.30 0.22 2.61 2.01 -1.26 -4.73 115.64 117.79 3hcz s THR 348 Ca 0.00 0.49 -0.32 0.00 0.31 0.00 0.00 61.69 62.17 3hcz s THR 348 Cb 0.00 -3.55 -0.13 0.00 0.01 0.00 0.00 72.50 68.83 3hcz s THR 348 CO 0.00 0.57 1.59 -1.22 -0.69 0.00 0.00 174.62 174.87 3hcz n TYR 349 N 2.19 2.52 -3.57 4.92 4.01 -1.26 -0.28 117.16 125.69 3hcz n TYR 349 Ca -0.16 0.23 -0.29 0.00 -0.16 0.00 0.00 57.90 57.52 3hcz n TYR 349 Cb 0.53 -2.58 -0.12 0.00 -0.31 0.00 0.00 39.34 36.87 3hcz n TYR 349 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hcz s ARG 350 N 0.42 1.04 0.41 -0.72 1.81 -1.26 -4.83 118.95 115.82 3hcz s ARG 350 Ca 0.72 -1.90 -0.26 0.00 -1.72 0.00 0.00 55.73 52.57 3hcz s ARG 350 Cb -0.58 -1.87 -0.09 0.00 -0.45 0.00 0.00 34.95 31.96 3hcz s ARG 350 CO 0.41 -1.24 1.34 0.71 -0.68 0.00 0.00 175.30 175.84 3hcz s TYR 351 N 0.40 2.75 0.21 -0.53 2.02 -1.26 -4.72 117.35 116.22 3hcz s TYR 351 Ca 0.22 1.37 -0.09 0.00 -0.37 0.00 0.00 57.07 58.20 3hcz s TYR 351 Cb -0.16 -3.74 0.31 0.00 -0.40 0.00 0.00 41.96 37.97 3hcz s TYR 351 CO -0.05 -2.29 1.74 1.25 -1.57 0.00 0.00 175.55 174.62 3hcz h LEU 352 N 2.69 0.20 -1.33 -1.29 5.85 -1.63 -1.44 115.31 118.36 3hcz h LEU 352 Ca -0.50 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hcz h LEU 352 Cb 1.25 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3hcz h LEU 352 CO 0.63 0.11 0.00 1.88 -0.34 0.00 0.00 178.44 180.72 3hcz h TYR 353 N 0.39 0.00 -0.01 1.25 -1.99 -1.91 -2.11 116.97 112.60 3hcz h TYR 353 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 3hcz h TYR 353 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3hcz h TYR 353 CO -0.18 0.00 -0.22 -0.25 -0.00 0.00 0.00 178.16 177.51 3hcz n ASP 354 N -2.64 0.75 -4.72 3.88 8.00 -0.54 -4.85 116.55 116.42 3hcz n ASP 354 Ca 0.01 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 3hcz n ASP 354 Cb 0.21 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 3hcz n ASP 354 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hcz s VAL 355 N -2.56 3.41 -0.32 2.53 1.01 -0.79 -4.99 120.40 118.68 3hcz s VAL 355 Ca 0.24 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 3hcz s VAL 355 Cb 0.19 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3hcz s VAL 355 CO 0.52 0.10 0.10 -1.10 0.00 0.00 0.00 175.10 174.72 3hcz s GLN 356 N 0.80 2.85 -0.16 2.72 -0.21 -1.26 -5.05 119.66 119.36 3hcz s GLN 356 Ca 0.62 -1.02 -0.29 0.00 0.02 0.00 0.00 55.36 54.68 3hcz s GLN 356 Cb -0.35 -3.44 0.10 0.00 1.00 0.00 0.00 33.01 30.32 3hcz s GLN 356 CO 0.32 -0.56 0.85 0.00 -2.12 0.00 0.00 175.29 173.78 3hcz s ALA 357 N 1.46 -1.86 0.24 6.09 0.00 -1.26 -4.95 121.76 121.48 3hcz s ALA 357 Ca 0.01 1.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 3hcz s ALA 357 Cb -0.18 -0.65 0.29 0.00 0.00 0.00 0.00 23.12 22.57 3hcz s ALA 357 CO 0.03 -0.32 1.90 -0.22 0.00 0.00 0.00 175.76 177.14 3hcz h LYS 358 N 3.34 1.15 -4.24 0.00 3.64 -1.40 -3.37 116.57 115.69 3hcz h LYS 358 Ca -0.25 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 58.75 3hcz h LYS 358 Cb 1.16 -0.26 -0.29 0.00 -0.41 0.00 0.00 32.23 32.43 3hcz h LYS 358 CO 0.27 0.76 -0.75 0.71 -2.27 0.00 0.00 179.45 178.17 3hcz s TYR 359 N -6.09 0.42 -0.15 1.91 2.02 -0.70 -1.45 117.35 113.30 3hcz s TYR 359 Ca -0.13 -0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3hcz s TYR 359 Cb 0.18 -0.28 -0.00 0.00 -0.40 0.00 0.00 41.96 41.46 3hcz s TYR 359 CO 0.81 -0.01 -0.14 0.95 -1.57 0.00 0.00 175.55 175.58 3hcz s THR 360 N -0.08 2.77 -0.31 -0.71 -4.23 -0.50 -1.86 115.64 110.71 3hcz s THR 360 Ca 0.01 -0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 59.60 3hcz s THR 360 Cb -0.02 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 3hcz s THR 360 CO -0.00 0.51 0.54 -0.63 -0.54 0.00 0.00 174.62 174.50 3hcz s ILE 361 N 0.76 5.01 -0.32 2.99 1.01 0.26 -0.33 121.20 130.58 3hcz s ILE 361 Ca -0.06 0.63 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 3hcz s ILE 361 Cb -0.15 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3hcz s ILE 361 CO 0.01 -0.11 0.64 -0.22 0.00 0.00 0.00 174.94 175.26 3hcz s LEU 362 N 2.44 4.16 -0.23 2.97 2.96 0.29 -0.60 118.68 130.67 3hcz s LEU 362 Ca 0.21 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 3hcz s LEU 362 Cb -0.15 -2.83 0.06 0.00 0.50 0.00 0.00 46.19 43.77 3hcz s LEU 362 CO 0.12 -0.51 -0.03 0.12 -1.32 0.00 0.00 176.35 174.72 3hcz s PHE 363 N 2.65 2.16 -0.16 5.38 5.36 -0.40 -0.57 117.98 132.41 3hcz s PHE 363 Ca 0.25 -1.62 -0.14 0.00 -0.96 0.00 0.00 56.93 54.47 3hcz s PHE 363 Cb -0.15 -1.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.98 3hcz s PHE 363 CO 0.12 -0.75 0.29 -0.06 -1.46 0.00 0.00 175.22 173.36 3hcz s PHE 364 N 1.47 3.45 0.23 10.12 0.08 0.42 -0.04 117.98 133.71 3hcz s PHE 364 Ca -0.04 0.58 -0.13 0.00 0.12 0.00 0.00 56.93 57.45 3hcz s PHE 364 Cb -0.19 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 3hcz s PHE 364 CO -0.07 0.23 0.47 1.67 -0.10 0.00 0.00 175.22 177.42 3hcz s TRP 365 N 0.50 0.25 -0.09 0.36 1.48 -0.93 -0.70 118.94 119.81 3hcz s TRP 365 Ca 0.16 -0.62 -0.04 0.00 -1.06 0.00 0.00 56.10 54.54 3hcz s TRP 365 Cb -0.13 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.44 3hcz s TRP 365 CO 0.04 -0.95 0.19 0.34 -4.06 0.00 0.00 176.95 172.51 3hcz s ASP 366 N -2.98 0.33 0.52 -2.66 -1.08 -1.26 -1.30 116.67 108.23 3hcz s ASP 366 Ca 0.19 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.89 3hcz s ASP 366 Cb -0.00 0.37 1.41 0.00 -1.46 0.00 0.00 42.92 43.24 3hcz s ASP 366 CO 0.05 -0.21 2.07 0.77 0.52 0.00 0.00 175.17 178.37 3hcz h SER 367 N 7.94 0.00 0.00 -0.34 4.64 -1.92 -2.28 113.55 121.59 3hcz h SER 367 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hcz h SER 367 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3hcz h SER 367 CO 0.23 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 3hcz n GLN 368 N -3.75 0.61 0.06 4.77 1.13 -1.26 -1.62 117.38 117.32 3hcz n GLN 368 Ca -0.02 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.16 3hcz n GLN 368 Cb 0.23 -1.49 0.46 0.00 0.11 0.00 0.00 30.24 29.55 3hcz n GLN 368 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hcz n GLY 370 N 0.78 4.21 0.28 0.00 0.00 -0.64 -4.73 105.19 105.10 3hcz n GLY 370 Ca 0.05 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.74 3hcz n GLY 370 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hcz h HIS 371 N 0.00 0.13 -0.67 1.61 2.76 -1.93 -2.75 115.15 114.29 3hcz h HIS 371 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hcz h HIS 371 Cb 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.92 3hcz h HIS 371 CO 0.00 0.08 0.00 0.00 -1.30 0.00 0.00 177.93 176.71 3hcz n GLN 373 N 1.22 1.36 -0.05 0.00 10.64 -1.04 -4.93 117.38 124.57 3hcz n GLN 373 Ca 0.26 0.50 -0.18 0.00 -1.83 0.00 0.00 57.00 55.75 3hcz n GLN 373 Cb 0.88 -2.27 -0.13 0.00 -0.86 0.00 0.00 30.24 27.86 3hcz n GLN 373 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hcz n GLN 374 N -0.56 0.70 -0.27 2.61 1.13 -1.26 -4.46 117.38 115.28 3hcz n GLN 374 Ca 0.11 0.21 -0.07 0.00 -1.94 0.00 0.00 57.00 55.30 3hcz n GLN 374 Cb 0.43 -1.64 0.05 0.00 0.11 0.00 0.00 30.24 29.20 3hcz n GLN 374 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3hcz h GLU 375 N 0.03 1.16 0.67 -1.09 4.57 -1.99 -2.53 114.58 115.41 3hcz h GLU 375 Ca -0.47 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.41 3hcz h GLU 375 Cb 2.00 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 30.44 3hcz h GLU 375 CO 0.02 1.00 -0.32 1.15 -1.18 0.00 0.00 179.01 179.68 3hcz h THR 376 N 1.11 0.34 -0.03 0.32 2.02 -1.99 0.64 112.91 115.33 3hcz h THR 376 Ca 0.24 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.30 3hcz h THR 376 Cb 0.33 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3hcz h THR 376 CO -0.00 0.00 -0.52 1.55 0.37 0.00 0.00 175.52 176.91 3hcz h PRO 377 N -0.90 0.07 -0.47 6.66 0.13 -1.77 -1.38 132.00 134.34 3hcz h PRO 377 Ca -0.09 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 3hcz h PRO 377 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3hcz h PRO 377 CO 0.15 0.58 -0.15 0.87 -0.23 0.00 0.00 178.00 179.22 3hcz h LYS 378 N 0.06 0.89 -0.58 0.86 1.57 -1.34 -0.27 116.57 117.75 3hcz h LYS 378 Ca -0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 3hcz h LYS 378 Cb 0.94 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3hcz h LYS 378 CO 0.07 0.97 0.18 1.25 -0.57 0.00 0.00 179.45 181.35 3hcz h LEU 379 N 0.79 0.81 -0.36 2.94 5.85 -0.63 -0.88 115.31 123.82 3hcz h LEU 379 Ca 0.12 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3hcz h LEU 379 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3hcz h LEU 379 CO 0.05 0.77 0.12 0.22 -0.34 0.00 0.00 178.44 179.26 3hcz h TYR 380 N 0.85 0.58 -0.52 1.25 3.20 -0.71 0.20 116.97 121.83 3hcz h TYR 380 Ca 0.19 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3hcz h TYR 380 Cb 0.25 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3hcz h TYR 380 CO 0.02 0.55 0.33 -0.44 -1.64 0.00 0.00 178.16 176.98 3hcz h ASP 381 N 0.43 0.55 -0.47 -2.11 3.32 -0.86 0.17 116.42 117.45 3hcz h ASP 381 Ca 0.12 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3hcz h ASP 381 Cb 0.24 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3hcz h ASP 381 CO -0.00 0.39 0.26 -0.25 -1.72 0.00 0.00 179.24 177.92 3hcz h TRP 382 N 0.66 0.49 -0.54 4.55 7.01 -0.83 -2.82 115.95 124.45 3hcz h TRP 382 Ca 0.20 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3hcz h TRP 382 Cb -0.03 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 3hcz h TRP 382 CO -0.05 0.27 0.30 2.35 -2.79 0.00 0.00 178.44 178.52 3hcz h TRP 383 N 0.52 0.74 -0.93 2.65 7.01 -0.05 -1.54 115.95 124.36 3hcz h TRP 383 Ca 0.19 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.29 3hcz h TRP 383 Cb 0.05 -0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 26.80 3hcz h TRP 383 CO -0.08 0.54 0.59 -0.07 -2.79 0.00 0.00 178.44 176.64 3hcz h LEU 384 N 0.73 0.80 -0.13 0.65 3.38 -0.81 0.21 115.31 120.14 3hcz h LEU 384 Ca 0.19 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3hcz h LEU 384 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hcz h LEU 384 CO -0.03 0.44 -0.20 0.11 0.09 0.00 0.00 178.44 178.85 3hcz h LYS 385 N 0.87 0.00 -0.00 1.13 1.57 -1.13 -3.36 116.57 115.64 3hcz h LYS 385 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3hcz h LYS 385 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hcz h LYS 385 CO -0.21 0.20 -0.06 0.09 -0.57 0.00 0.00 179.45 178.89 3hcz n ASN 386 N -3.16 0.56 0.22 0.86 3.02 -0.65 -4.73 115.26 111.38 3hcz n ASN 386 Ca 0.03 -0.78 0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3hcz n ASN 386 Cb 0.59 0.59 0.49 0.00 -0.61 0.00 0.00 39.78 40.84 3hcz n ASN 386 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3hcz h ARG 387 N 0.21 0.00 0.00 3.52 0.11 -0.76 -1.63 114.38 115.82 3hcz h ARG 387 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hcz h ARG 387 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3hcz h ARG 387 CO 0.00 0.26 0.00 0.00 0.10 0.00 0.00 179.97 180.33 3hcz h ALA 388 N 1.74 1.00 0.00 0.08 0.00 -1.85 -1.23 119.26 119.01 3hcz h ALA 388 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hcz h ALA 388 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hcz h ALA 388 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3hcz n LYS 389 N -2.61 0.05 -0.98 0.00 5.02 -0.61 -4.86 118.16 114.17 3hcz n LYS 389 Ca 0.02 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3hcz n LYS 389 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3hcz n LYS 389 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hcz n GLY 390 N -1.00 0.77 3.03 0.72 0.00 -0.50 -4.86 105.19 103.35 3hcz n GLY 390 Ca 0.02 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3hcz n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hcz s ILE 391 N -2.19 1.45 0.08 -0.61 1.01 -1.01 -1.00 121.20 118.94 3hcz s ILE 391 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3hcz s ILE 391 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3hcz s ILE 391 CO 0.00 0.43 0.03 -1.58 0.00 0.00 0.00 174.94 173.82 3hcz s GLN 392 N 1.14 2.67 -0.22 2.79 2.00 -0.78 -4.61 119.66 122.65 3hcz s GLN 392 Ca -0.03 -0.78 -0.06 0.00 -2.00 0.00 0.00 55.36 52.49 3hcz s GLN 392 Cb -0.14 -2.61 -0.03 0.00 0.80 0.00 0.00 33.01 31.03 3hcz s GLN 392 CO -0.04 0.55 0.03 0.08 -0.50 0.00 0.00 175.29 175.42 3hcz s VAL 393 N -1.33 4.12 -0.84 1.34 1.01 -1.26 -0.58 120.40 122.86 3hcz s VAL 393 Ca 0.27 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 3hcz s VAL 393 Cb -0.12 -2.90 0.14 0.00 0.00 0.00 0.00 36.38 33.51 3hcz s VAL 393 CO 0.19 0.39 0.99 -0.47 0.00 0.00 0.00 175.10 176.20 3hcz s TYR 394 N 1.29 3.20 -0.77 5.22 5.04 0.23 -1.87 117.35 129.68 3hcz s TYR 394 Ca 0.04 -1.39 -0.21 0.00 -2.44 0.00 0.00 57.07 53.08 3hcz s TYR 394 Cb -0.15 -4.16 0.10 0.00 0.35 0.00 0.00 41.96 38.11 3hcz s TYR 394 CO 0.02 -1.38 1.01 0.00 -1.34 0.00 0.00 175.55 173.87 3hcz s ALA 395 N 2.29 3.25 -0.76 3.97 0.00 0.20 -1.27 121.76 129.44 3hcz s ALA 395 Ca 0.26 -2.28 -0.19 0.00 0.00 0.00 0.00 51.96 49.74 3hcz s ALA 395 Cb -0.09 -3.91 0.11 0.00 0.00 0.00 0.00 23.12 19.23 3hcz s ALA 395 CO -0.06 -2.83 0.94 0.00 0.00 0.00 0.00 175.76 173.81 3hcz s ALA 396 N 3.34 3.37 0.09 0.00 0.00 0.94 -1.14 121.76 128.36 3hcz s ALA 396 Ca 0.26 -2.41 -0.30 0.00 0.00 0.00 0.00 51.96 49.50 3hcz s ALA 396 Cb -0.12 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 3hcz s ALA 396 CO 0.01 -2.70 1.17 1.21 0.00 0.00 0.00 175.76 175.45 3hcz s ASN 397 N 3.53 7.13 -0.00 0.00 3.84 -0.14 -2.19 114.94 127.11 3hcz s ASN 397 Ca 0.23 2.04 0.11 0.00 0.21 0.00 0.00 52.86 55.45 3hcz s ASN 397 Cb -0.14 -2.59 0.32 0.00 -0.55 0.00 0.00 41.25 38.30 3hcz s ASN 397 CO 0.00 -0.40 1.27 2.30 -2.79 0.00 0.00 177.10 177.48 3hcz n ILE 398 N 3.47 0.49 -2.52 -5.21 -5.35 -0.42 -4.11 119.36 105.71 3hcz n ILE 398 Ca 0.07 -0.49 -0.27 0.00 -0.27 0.00 0.00 62.75 61.79 3hcz n ILE 398 Cb 0.46 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.62 3hcz n ILE 398 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3hcz s GLU 399 N -1.51 3.28 0.00 6.28 2.02 -1.26 -4.98 118.70 122.53 3hcz s GLU 399 Ca 0.25 0.12 0.17 0.00 0.02 0.00 0.00 54.97 55.52 3hcz s GLU 399 Cb 0.13 -2.33 0.46 0.00 0.10 0.00 0.00 34.13 32.49 3hcz s GLU 399 CO 0.17 -0.42 1.38 0.54 0.02 0.00 0.00 175.26 176.95 3hcz n ARG 400 N -2.40 2.68 -4.11 1.61 5.12 -1.26 -4.55 116.66 113.75 3hcz n ARG 400 Ca 0.02 -2.31 -0.12 0.00 -1.93 0.00 0.00 57.85 53.52 3hcz n ARG 400 Cb 0.56 -1.42 -0.11 0.00 -1.16 0.00 0.00 32.46 30.33 3hcz n ARG 400 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3hcz s LYS 401 N -1.04 0.66 0.11 5.56 1.02 -1.26 -5.06 119.74 119.73 3hcz s LYS 401 Ca 0.36 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 55.33 3hcz s LYS 401 Cb 0.19 -0.22 -0.18 0.00 -0.52 0.00 0.00 37.83 37.10 3hcz s LYS 401 CO 0.25 0.01 1.25 -0.44 -0.92 0.00 0.00 175.35 175.50 3hcz h ASP 402 N 3.77 0.25 0.13 2.83 3.32 -2.02 -3.42 116.42 121.29 3hcz h ASP 402 Ca -0.35 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.46 3hcz h ASP 402 Cb 1.18 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3hcz h ASP 402 CO 0.52 1.15 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.88 3hcz h GLU 403 N 0.06 -0.42 -0.16 3.56 4.81 -2.00 -1.14 114.58 119.29 3hcz h GLU 403 Ca -0.07 0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 3hcz h GLU 403 Cb 1.77 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 3hcz h GLU 403 CO 0.16 -0.28 -0.56 0.93 -0.73 0.00 0.00 179.01 178.53 3hcz h GLU 404 N -0.44 0.50 -0.05 1.92 4.39 -1.99 -1.69 114.58 117.22 3hcz h GLU 404 Ca 0.02 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.43 3hcz h GLU 404 Cb 0.45 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3hcz h GLU 404 CO -0.12 0.93 -0.10 2.35 -1.16 0.00 0.00 179.01 180.90 3hcz h TRP 405 N 0.38 -0.26 -0.52 4.33 7.01 -1.73 -0.33 115.95 124.84 3hcz h TRP 405 Ca 0.00 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 3hcz h TRP 405 Cb 1.10 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 3hcz h TRP 405 CO 0.04 -0.16 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.35 3hcz h LEU 406 N -0.16 0.99 -0.74 0.65 3.38 -1.12 -1.25 115.31 117.07 3hcz h LEU 406 Ca 0.06 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3hcz h LEU 406 Cb 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3hcz h LEU 406 CO -0.14 1.11 0.45 0.50 0.09 0.00 0.00 178.44 180.45 3hcz h LYS 407 N 0.85 0.83 -0.13 1.13 3.64 -1.18 -1.05 116.57 120.65 3hcz h LYS 407 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3hcz h LYS 407 Cb 0.67 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3hcz h LYS 407 CO 0.05 0.55 0.04 0.35 -2.27 0.00 0.00 179.45 178.17 3hcz h PHE 408 N 0.85 0.22 -0.44 1.91 3.57 -0.78 -1.46 116.94 120.80 3hcz h PHE 408 Ca 0.31 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.86 3hcz h PHE 408 Cb 0.10 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 3hcz h PHE 408 CO -0.05 0.33 0.07 0.82 -2.23 0.00 0.00 178.31 177.26 3hcz h ILE 409 N 0.04 0.75 -0.06 1.41 2.04 -0.75 -0.49 117.51 120.45 3hcz h ILE 409 Ca 0.04 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hcz h ILE 409 Cb 0.21 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hcz h ILE 409 CO -0.00 0.04 0.03 -0.09 0.00 0.00 0.00 178.15 178.12 3hcz h ARG 410 N 0.20 0.09 -0.02 2.37 2.43 -1.17 0.19 114.38 118.46 3hcz h ARG 410 Ca 0.22 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.13 3hcz h ARG 410 Cb 0.28 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hcz h ARG 410 CO -0.29 0.19 -0.95 0.66 -1.51 0.00 0.00 179.97 178.06 3hcz h SER 411 N -0.04 0.75 0.58 -3.80 4.64 -1.05 -2.92 113.55 111.71 3hcz h SER 411 Ca 0.02 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hcz h SER 411 Cb 0.14 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3hcz h SER 411 CO -0.00 1.38 -0.17 0.29 -0.87 0.00 0.00 176.83 177.45 3hcz n LYS 412 N -3.82 0.32 -3.30 4.77 4.76 -0.21 -4.96 118.16 115.72 3hcz n LYS 412 Ca -0.09 -0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.09 3hcz n LYS 412 Cb 0.84 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.61 3hcz n LYS 412 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hcz n LYS 413 N -1.24 -4.75 -0.91 1.97 5.02 -0.03 -4.93 118.16 113.29 3hcz n LYS 413 Ca 0.10 0.82 -0.03 0.00 -2.02 0.00 0.00 58.31 57.18 3hcz n LYS 413 Cb 0.31 -5.70 0.17 0.00 -0.02 0.00 0.00 35.03 29.79 3hcz n LYS 413 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hcz n ILE 414 N -3.68 2.40 0.85 -0.18 -5.35 -0.71 -4.78 119.36 107.92 3hcz n ILE 414 Ca -0.20 -3.25 0.11 0.00 -0.27 0.00 0.00 62.75 59.14 3hcz n ILE 414 Cb 0.64 -0.43 0.51 0.00 -1.74 0.00 0.00 39.64 38.63 3hcz n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hcz n GLY 415 N -1.05 -1.25 0.12 3.28 0.00 -1.26 -4.09 105.19 100.94 3hcz n GLY 415 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3hcz n GLY 415 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hcz h GLY 416 N 3.94 0.06 -0.28 -0.02 0.00 -1.96 -3.46 103.07 101.35 3hcz h GLY 416 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3hcz h GLY 416 CO 0.00 0.09 0.06 -2.67 0.00 0.00 0.00 176.54 174.01 3hcz n TRP 417 N -3.67 -3.55 -2.64 5.60 2.14 -1.26 -4.96 117.44 109.10 3hcz n TRP 417 Ca -0.01 -0.38 -0.43 0.00 2.07 0.00 0.00 57.50 58.75 3hcz n TRP 417 Cb 0.73 -0.21 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 3hcz n TRP 417 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 3hcz n LEU 418 N 0.00 5.32 -4.68 5.67 7.94 -0.78 -4.97 117.00 125.49 3hcz n LEU 418 Ca 0.04 -4.19 -0.42 0.00 -1.11 0.00 0.00 56.01 50.32 3hcz n LEU 418 Cb 0.14 -1.67 -0.03 0.00 0.53 0.00 0.00 43.42 42.39 3hcz n LEU 418 CO 0.10 0.53 1.16 0.20 -1.11 0.00 0.00 177.39 178.27 3hcz s ASN 419 N 3.38 6.83 0.16 1.96 0.01 -1.26 -0.63 114.94 125.38 3hcz s ASN 419 Ca 0.48 2.07 0.04 0.00 -0.71 0.00 0.00 52.86 54.74 3hcz s ASN 419 Cb 0.03 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 3hcz s ASN 419 CO 0.03 -0.77 -0.07 0.68 -1.51 0.00 0.00 177.10 175.46 3hcz s VAL 420 N 2.87 1.06 0.06 1.60 -7.23 -0.29 -3.67 120.40 114.80 3hcz s VAL 420 Ca 0.64 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3hcz s VAL 420 Cb -0.30 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 3hcz s VAL 420 CO 0.25 -0.67 0.06 -0.60 -0.31 0.00 0.00 175.10 173.83 3hcz s ARG 421 N -3.79 0.69 -1.41 4.82 3.52 0.00 -0.96 118.95 121.82 3hcz s ARG 421 Ca 0.19 -1.09 -0.07 0.00 -0.13 0.00 0.00 55.73 54.62 3hcz s ARG 421 Cb 0.04 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 3hcz s ARG 421 CO 0.02 -0.17 2.68 -3.47 -0.81 0.00 0.00 175.30 173.55 3hcz n ASP 422 N 0.10 8.29 0.27 -2.12 2.03 -1.26 -0.91 116.55 122.95 3hcz n ASP 422 Ca -0.15 -2.87 0.16 0.00 0.52 0.00 0.00 54.79 52.45 3hcz n ASP 422 Cb 0.61 -1.45 0.60 0.00 -0.72 0.00 0.00 41.12 40.16 3hcz n ASP 422 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3hcz h SER 423 N 4.71 0.00 -0.49 1.67 4.64 -1.90 -2.06 113.55 120.11 3hcz h SER 423 Ca 0.77 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 3hcz h SER 423 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hcz h SER 423 CO 1.58 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 177.85 3hcz n LYS 424 N -3.12 3.65 -3.44 4.77 4.76 -1.26 -5.01 118.16 118.51 3hcz n LYS 424 Ca 0.01 -2.82 -0.21 0.00 -2.87 0.00 0.00 58.31 52.41 3hcz n LYS 424 Cb 0.35 -1.87 0.06 0.00 -1.84 0.00 0.00 35.03 31.72 3hcz n LYS 424 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hcz n ASN 425 N 0.51 -5.50 -0.16 4.39 4.13 -0.78 -4.93 115.26 112.93 3hcz n ASN 425 Ca 0.23 -0.82 0.02 0.00 1.68 0.00 0.00 54.58 55.70 3hcz n ASN 425 Cb 0.89 -4.50 0.01 0.00 -1.54 0.00 0.00 39.78 34.65 3hcz n ASN 425 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3hcz n HIS 426 N -3.69 0.00 -4.44 3.10 8.25 -1.26 -5.02 115.22 112.17 3hcz n HIS 426 Ca -0.11 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.07 3hcz n HIS 426 Cb 0.62 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.56 3hcz n HIS 426 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hcz s THR 427 N -0.59 1.49 -0.55 1.59 2.01 -1.26 -4.85 115.64 113.48 3hcz s THR 427 Ca 0.05 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3hcz s THR 427 Cb 0.04 -1.36 0.14 0.00 0.01 0.00 0.00 72.50 71.32 3hcz s THR 427 CO 0.08 0.44 0.50 -0.62 -0.69 0.00 0.00 174.62 174.33 3hcz s ASP 428 N 1.00 6.15 0.32 3.53 3.68 -1.26 -4.94 116.67 125.15 3hcz s ASP 428 Ca -0.06 -1.89 0.09 0.00 2.13 0.00 0.00 52.55 52.82 3hcz s ASP 428 Cb -0.15 -2.17 0.55 0.00 -1.45 0.00 0.00 42.92 39.70 3hcz s ASP 428 CO -0.02 -0.80 1.74 -0.26 0.13 0.00 0.00 175.17 175.96 3hcz h PHE 429 N 8.71 0.13 0.02 -5.34 0.04 -1.97 -0.33 116.94 118.20 3hcz h PHE 429 Ca -0.25 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 3hcz h PHE 429 Cb 1.09 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.21 3hcz h PHE 429 CO 0.74 0.52 -0.01 0.87 -0.60 0.00 0.00 178.31 179.83 3hcz h LYS 430 N 0.10 -0.03 0.34 1.51 6.56 -1.92 -1.11 116.57 122.01 3hcz h LYS 430 Ca 0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 3hcz h LYS 430 Cb 0.79 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 3hcz h LYS 430 CO 0.06 0.61 -0.16 0.82 -2.06 0.00 0.00 179.45 178.71 3hcz h ILE 431 N -0.69 0.65 -0.19 1.86 2.04 -1.94 -2.36 117.51 116.88 3hcz h ILE 431 Ca -0.00 -0.51 -0.19 0.00 1.00 0.00 0.00 64.86 65.16 3hcz h ILE 431 Cb 0.65 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3hcz h ILE 431 CO 0.00 0.10 -0.62 0.74 0.00 0.00 0.00 178.15 178.37 3hcz h THR 432 N -0.75 1.30 0.00 -0.27 2.02 -1.21 -3.38 112.91 110.61 3hcz h THR 432 Ca -0.05 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.30 3hcz h THR 432 Cb 0.51 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3hcz h THR 432 CO 0.08 0.58 0.00 -1.22 0.37 0.00 0.00 175.52 175.33 3hcz n TYR 433 N -4.05 0.00 -3.86 3.16 4.02 -0.93 -4.93 117.16 110.58 3hcz n TYR 433 Ca -0.07 -0.03 -0.27 0.00 -0.01 0.00 0.00 57.90 57.52 3hcz n TYR 433 Cb 0.67 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.00 3hcz n TYR 433 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hcz n ASP 434 N -0.03 -2.70 -4.56 7.72 8.00 -0.51 -4.93 116.55 119.53 3hcz n ASP 434 Ca 0.00 -0.84 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 3hcz n ASP 434 Cb 0.04 -3.76 -0.04 0.00 -0.02 0.00 0.00 41.12 37.34 3hcz n ASP 434 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hcz s ILE 435 N -3.53 4.37 0.00 0.53 -1.09 -0.65 -4.92 121.20 115.91 3hcz s ILE 435 Ca 0.33 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 3hcz s ILE 435 Cb -0.16 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 3hcz s ILE 435 CO 0.84 -0.97 0.00 -1.22 -1.23 0.00 0.00 174.94 172.36 3hcz n TYR 436 N 7.46 0.00 -1.72 3.97 4.01 -1.26 -4.44 117.16 125.19 3hcz n TYR 436 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 3hcz n TYR 436 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 3hcz n TYR 436 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcz n ALA 437 N -3.00 1.63 -2.68 -0.72 0.00 -1.26 -5.02 120.51 109.46 3hcz n ALA 437 Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 3hcz n ALA 437 Cb 0.00 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.08 3hcz n ALA 437 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hcz s THR 438 N -1.02 3.64 0.57 0.00 -4.23 -1.26 -4.61 115.64 108.72 3hcz s THR 438 Ca 0.56 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.24 3hcz s THR 438 Cb -0.54 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.35 3hcz s THR 438 CO 0.62 -0.36 0.83 -2.16 -0.54 0.00 0.00 174.62 173.00 3hcz s PRO 439 N -3.72 2.70 -0.02 3.99 0.04 -1.26 -5.00 135.00 131.74 3hcz s PRO 439 Ca 0.32 -0.40 0.01 0.00 0.04 0.00 0.00 61.00 60.97 3hcz s PRO 439 Cb -0.07 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.10 3hcz s PRO 439 CO 0.21 -0.70 -0.03 0.08 0.04 0.00 0.00 177.00 176.59 3hcz s VAL 440 N -2.87 0.33 -0.07 -0.36 1.01 0.12 -4.97 120.40 113.59 3hcz s VAL 440 Ca 0.55 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3hcz s VAL 440 Cb -0.10 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3hcz s VAL 440 CO 0.41 0.13 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 3hcz s LEU 441 N 0.34 1.78 0.10 3.92 0.20 -1.26 -0.44 118.68 123.32 3hcz s LEU 441 Ca -0.03 -0.37 0.10 0.00 0.69 0.00 0.00 54.13 54.52 3hcz s LEU 441 Cb -0.07 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 3hcz s LEU 441 CO -0.01 0.08 -0.24 -0.31 -0.29 0.00 0.00 176.35 175.58 3hcz s TYR 442 N 0.52 2.39 -0.14 5.38 2.02 0.27 0.53 117.35 128.32 3hcz s TYR 442 Ca -0.15 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3hcz s TYR 442 Cb -0.16 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 3hcz s TYR 442 CO 0.05 0.30 -0.06 0.08 -1.57 0.00 0.00 175.55 174.35 3hcz s VAL 443 N -1.02 3.73 0.11 0.71 1.01 -0.56 -0.55 120.40 123.84 3hcz s VAL 443 Ca 0.15 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3hcz s VAL 443 Cb -0.10 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3hcz s VAL 443 CO 0.06 0.51 -0.22 -0.76 0.00 0.00 0.00 175.10 174.69 3hcz s LEU 444 N 0.26 2.53 0.00 3.92 1.43 0.55 -0.55 118.68 126.82 3hcz s LEU 444 Ca -0.04 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3hcz s LEU 444 Cb -0.14 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.70 3hcz s LEU 444 CO 0.03 0.19 0.22 -0.90 0.23 0.00 0.00 176.35 176.12 3hcz n ASP 445 N 0.97 0.02 0.23 2.29 5.68 0.01 -1.42 116.55 124.33 3hcz n ASP 445 Ca -0.17 -1.08 0.12 0.00 -0.50 0.00 0.00 54.79 53.17 3hcz n ASP 445 Cb 0.53 -0.16 0.73 0.00 -1.14 0.00 0.00 41.12 41.08 3hcz n ASP 445 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hcz h LYS 446 N 0.00 0.00 -0.56 0.11 2.10 -1.42 -1.29 116.57 115.51 3hcz h LYS 446 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3hcz h LYS 446 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3hcz h LYS 446 CO 0.05 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.59 3hcz n ASN 447 N -4.27 5.12 -0.71 7.07 3.02 -1.26 -4.74 115.26 119.49 3hcz n ASN 447 Ca -0.01 -2.75 -0.09 0.00 -0.03 0.00 0.00 54.58 51.70 3hcz n ASN 447 Cb 0.17 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 3hcz n ASN 447 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hcz n LYS 448 N 0.67 -0.76 -2.45 3.52 4.76 -0.49 -4.90 118.16 118.51 3hcz n LYS 448 Ca 0.26 0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 56.09 3hcz n LYS 448 Cb 1.04 -4.72 -0.04 0.00 -1.84 0.00 0.00 35.03 29.47 3hcz n LYS 448 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hcz s VAL 449 N -2.28 3.56 -0.13 -0.18 1.01 -1.26 -0.98 120.40 120.14 3hcz s VAL 449 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3hcz s VAL 449 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3hcz s VAL 449 CO 0.00 0.31 1.30 -0.63 0.00 0.00 0.00 175.10 176.08 3hcz s ILE 450 N -0.75 4.17 -0.19 2.22 1.01 -0.11 -0.81 121.20 126.74 3hcz s ILE 450 Ca 0.47 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.62 3hcz s ILE 450 Cb -0.32 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 3hcz s ILE 450 CO 0.39 -0.10 0.20 2.30 0.00 0.00 0.00 174.94 177.73 3hcz n ILE 451 N 5.21 0.00 -3.72 2.92 -5.35 0.29 -0.76 119.36 117.94 3hcz n ILE 451 Ca 0.14 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 3hcz n ILE 451 Cb 0.45 0.82 -0.10 0.00 -1.74 0.00 0.00 39.64 39.06 3hcz n ILE 451 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hcz s ALA 452 N -1.77 -1.00 -0.19 -1.28 0.00 -1.07 -4.97 121.76 111.48 3hcz s ALA 452 Ca 0.01 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3hcz s ALA 452 Cb 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3hcz s ALA 452 CO 0.23 -0.21 -0.18 0.15 0.00 0.00 0.00 175.76 175.74 3hcz s LYS 453 N 0.58 2.95 -1.33 0.00 1.02 -1.26 -1.49 119.74 120.21 3hcz s LYS 453 Ca -0.03 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 3hcz s LYS 453 Cb -0.05 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3hcz s LYS 453 CO -0.04 -0.24 1.10 0.54 -0.92 0.00 0.00 175.35 175.80 3hcz n ARG 454 N 4.62 -7.32 -3.51 1.68 1.74 0.19 -4.99 116.66 109.06 3hcz n ARG 454 Ca -0.20 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 57.47 3hcz n ARG 454 Cb 0.49 -5.82 -0.01 0.00 -1.02 0.00 0.00 32.46 26.11 3hcz n ARG 454 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3hcz s ILE 455 N -3.34 4.69 0.37 0.55 -4.36 -1.18 -4.88 121.20 113.05 3hcz s ILE 455 Ca 0.43 -0.77 -0.13 0.00 -0.26 0.00 0.00 60.65 59.92 3hcz s ILE 455 Cb -0.19 -3.68 -0.08 0.00 1.25 0.00 0.00 42.46 39.77 3hcz s ILE 455 CO 0.74 -0.34 0.77 -0.83 0.24 0.00 0.00 174.94 175.52 3hcz s GLY 456 N -4.09 2.13 0.54 6.27 0.00 -1.26 -4.49 107.32 106.42 3hcz s GLY 456 Ca 0.41 -0.07 0.26 0.00 0.00 0.00 0.00 44.72 45.32 3hcz s GLY 456 CO 0.33 0.13 1.99 0.10 0.00 0.00 0.00 173.10 175.65 3hcz h TYR 457 N 1.68 0.00 0.00 1.90 -0.00 -1.98 -0.47 116.97 118.10 3hcz h TYR 457 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 3hcz h TYR 457 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 3hcz h TYR 457 CO 0.61 0.00 0.00 -0.85 -0.00 0.00 0.00 178.16 177.92 3hcz n GLU 458 N -4.25 0.08 -0.02 0.10 0.00 -1.26 -2.11 120.64 113.19 3hcz n GLU 458 Ca 0.09 0.24 0.11 0.00 0.00 0.00 0.00 57.16 57.61 3hcz n GLU 458 Cb 0.61 -1.64 0.10 0.00 0.00 0.00 0.00 31.44 30.52 3hcz n GLU 458 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hcz n ASN 459 N -1.79 2.94 -0.18 -1.84 5.03 -0.19 -4.64 115.26 114.59 3hcz n ASN 459 Ca 0.04 -1.95 -0.06 0.00 0.87 0.00 0.00 54.58 53.48 3hcz n ASN 459 Cb 0.25 -0.02 0.03 0.00 -1.02 0.00 0.00 39.78 39.03 3hcz n ASN 459 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3hcz h LEU 460 N 4.47 0.60 -0.18 3.41 3.38 -1.46 -0.61 115.31 124.91 3hcz h LEU 460 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hcz h LEU 460 Cb 0.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3hcz h LEU 460 CO 0.00 0.43 0.09 0.44 0.09 0.00 0.00 178.44 179.49 3hcz h ASP 461 N 0.71 0.24 -0.44 -0.43 3.32 -1.82 0.62 116.42 118.62 3hcz h ASP 461 Ca 0.20 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3hcz h ASP 461 Cb -0.06 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3hcz h ASP 461 CO -0.06 0.28 -0.15 0.44 -1.72 0.00 0.00 179.24 178.03 3hcz h ASP 462 N 0.18 0.93 -0.16 6.45 5.19 -1.86 -1.92 116.42 125.22 3hcz h ASP 462 Ca 0.06 -0.32 0.03 0.00 -0.62 0.00 0.00 57.03 56.18 3hcz h ASP 462 Cb 0.10 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3hcz h ASP 462 CO -0.01 1.07 0.01 0.15 -3.12 0.00 0.00 179.24 177.34 3hcz h PHE 463 N 0.82 0.00 -0.77 4.55 3.57 -0.79 -2.19 116.94 122.13 3hcz h PHE 463 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3hcz h PHE 463 Cb 0.69 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 3hcz h PHE 463 CO 0.04 -0.02 0.38 -0.07 -2.23 0.00 0.00 178.31 176.42 3hcz h LEU 464 N 0.06 0.98 -0.03 0.59 3.38 -0.63 -0.94 115.31 118.72 3hcz h LEU 464 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hcz h LEU 464 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hcz h LEU 464 CO -0.12 0.81 -0.03 0.58 0.09 0.00 0.00 178.44 179.77 3hcz h VAL 465 N 1.08 0.92 -0.46 1.22 2.07 -1.19 -1.77 116.25 118.13 3hcz h VAL 465 Ca 0.27 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.65 3hcz h VAL 465 Cb 0.08 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hcz h VAL 465 CO -0.04 0.00 -0.25 1.56 0.02 0.00 0.00 177.57 178.86 3hcz h GLN 466 N -0.03 0.98 -0.18 1.57 1.08 -1.12 -2.05 115.11 115.36 3hcz h GLN 466 Ca 0.02 -0.44 0.03 0.00 -1.45 0.00 0.00 58.65 56.81 3hcz h GLN 466 Cb 0.06 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3hcz h GLN 466 CO -0.05 1.11 -0.02 -0.92 -0.95 0.00 0.00 178.83 178.01 3hcz h TYR 467 N 0.83 -0.04 -0.57 2.96 3.20 -1.12 -0.61 116.97 121.62 3hcz h TYR 467 Ca 0.10 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 3hcz h TYR 467 Cb 0.83 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3hcz h TYR 467 CO 0.06 -0.04 -0.03 0.93 -1.64 0.00 0.00 178.16 177.43 3hcz h GLU 468 N 0.04 1.00 -0.97 1.82 5.08 -1.14 -1.74 114.58 118.66 3hcz h GLU 468 Ca 0.08 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3hcz h GLU 468 Cb 0.11 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3hcz h GLU 468 CO -0.16 1.00 0.63 -0.22 -1.00 0.00 0.00 179.01 179.26 3hcz h LYS 469 N 0.91 1.13 0.00 2.33 3.64 -1.07 -2.04 116.57 121.46 3hcz h LYS 469 Ca 0.16 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3hcz h LYS 469 Cb 0.57 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3hcz h LYS 469 CO 0.03 0.75 -0.02 0.66 -2.27 0.00 0.00 179.45 178.60 3hcz h SER 470 N 1.16 0.00 0.59 4.20 4.64 -0.20 -2.36 113.55 121.58 3hcz h SER 470 Ca 0.41 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.45 3hcz h SER 470 Cb 0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3hcz h SER 470 CO -0.15 0.02 -1.23 -0.07 -0.87 0.00 0.00 176.83 174.53 3hcz h LEU 471 N 0.00 0.46 0.67 5.97 3.38 -1.06 -3.33 115.31 121.41 3hcz h LEU 471 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 3hcz h LEU 471 Cb 0.26 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hcz h LEU 471 CO 0.00 1.37 -0.32 0.11 0.09 0.00 0.00 178.44 179.69 3hcz h LYS 472 N 0.09 -0.87 -1.01 1.13 1.57 -1.36 -3.28 116.57 112.84 3hcz h LYS 472 Ca -0.14 0.06 0.35 0.00 -1.87 0.00 0.00 60.65 59.05 3hcz h LYS 472 Cb 1.95 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 34.30 3hcz h LYS 472 CO 0.21 -0.55 0.57 1.79 -0.57 0.00 0.00 179.45 180.89 3hcz h THR 473 N -1.17 0.21 0.00 -0.16 1.35 -1.62 -3.52 112.91 108.00 3hcz h THR 473 Ca -0.09 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3hcz h THR 473 Cb 0.72 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 3hcz h THR 473 CO 0.15 0.04 0.00 1.17 -0.25 0.00 0.00 175.52 176.63