#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx n GLU 341 N 0.00 0.00 0.02 -0.67 4.07 -1.26 -4.60 120.64 118.21 1hkx n GLU 341 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 1hkx n GLU 341 Cb 0.00 -3.48 -0.09 0.00 -0.06 0.00 0.00 31.44 27.81 1hkx n GLU 341 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1hkx n ASP 342 N 0.00 0.56 0.21 4.31 5.75 -1.26 -3.54 116.55 122.58 1hkx n ASP 342 Ca 0.00 0.24 0.05 0.00 -0.01 0.00 0.00 54.79 55.07 1hkx n ASP 342 Cb 0.00 0.73 0.44 0.00 -1.03 0.00 0.00 41.12 41.26 1hkx n ASP 342 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1hkx h THR 343 N 0.00 1.07 -0.29 2.12 1.35 -1.99 0.41 112.91 115.59 1hkx h THR 343 Ca -0.14 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 64.58 1hkx h THR 343 Cb 1.41 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1hkx h THR 343 CO 0.02 0.30 -0.01 0.50 -0.25 0.00 0.00 175.52 176.08 1hkx h LYS 344 N 0.00 0.51 0.00 4.72 1.63 -1.93 -1.35 116.57 120.15 1hkx h LYS 344 Ca -0.00 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.47 1hkx h LYS 344 Cb 0.59 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1hkx h LYS 344 CO 0.04 0.67 -0.77 -0.39 -3.45 0.00 0.00 179.45 175.56 1hkx h VAL 345 N 0.30 1.46 -0.60 2.00 -1.51 -1.39 -2.58 116.25 113.93 1hkx h VAL 345 Ca 0.08 -2.71 -0.09 0.00 -1.23 0.00 0.00 66.70 62.75 1hkx h VAL 345 Cb 0.45 2.50 -0.02 0.00 -2.13 0.00 0.00 31.29 32.09 1hkx h VAL 345 CO 0.02 0.75 0.00 0.03 -1.23 0.00 0.00 177.57 177.14 1hkx h ARG 346 N 0.00 1.05 -0.42 5.19 3.08 -0.11 -0.39 114.38 122.78 1hkx h ARG 346 Ca -0.01 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 1hkx h ARG 346 Cb 1.44 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1hkx h ARG 346 CO 0.10 1.03 -0.22 0.87 -1.07 0.00 0.00 179.97 180.68 1hkx h LYS 347 N 0.95 0.85 -0.09 0.04 1.57 -1.21 -1.77 116.57 116.90 1hkx h LYS 347 Ca 0.17 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1hkx h LYS 347 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1hkx h LYS 347 CO 0.03 0.98 -0.28 0.37 -0.57 0.00 0.00 179.45 179.98 1hkx h GLN 348 N 0.74 0.16 -0.07 3.15 5.75 -1.20 -0.04 115.11 123.61 1hkx h GLN 348 Ca 0.10 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1hkx h GLN 348 Cb 0.75 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 1hkx h GLN 348 CO 0.06 0.43 0.04 1.49 -2.65 0.00 0.00 178.83 178.21 1hkx h GLU 349 N 0.15 0.09 -0.67 1.69 4.57 -0.42 -0.31 114.58 119.67 1hkx h GLU 349 Ca 0.02 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1hkx h GLU 349 Cb 0.58 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1hkx h GLU 349 CO 0.04 0.06 0.23 0.82 -1.18 0.00 0.00 179.01 178.98 1hkx h ILE 350 N 0.08 1.25 -0.44 2.32 5.03 -0.70 -2.43 117.51 122.63 1hkx h ILE 350 Ca 0.02 -0.84 -0.02 0.00 -0.12 0.00 0.00 64.86 63.90 1hkx h ILE 350 Cb -0.00 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 1hkx h ILE 350 CO -0.01 0.33 0.17 0.40 -0.68 0.00 0.00 178.15 178.36 1hkx h ILE 351 N 0.97 1.17 -0.25 -0.67 2.04 -0.70 -1.72 117.51 118.33 1hkx h ILE 351 Ca 0.22 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1hkx h ILE 351 Cb 0.27 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1hkx h ILE 351 CO -0.01 0.20 -0.13 0.50 0.00 0.00 0.00 178.15 178.71 1hkx h LYS 352 N 0.62 0.54 -0.15 2.37 3.64 -0.64 -1.39 116.57 121.56 1hkx h LYS 352 Ca 0.15 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1hkx h LYS 352 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1hkx h LYS 352 CO -0.01 0.80 -0.30 -0.39 -2.27 0.00 0.00 179.45 177.27 1hkx h VAL 353 N 0.26 1.26 -0.41 2.00 -1.51 -1.25 0.51 116.25 117.11 1hkx h VAL 353 Ca 0.06 -1.26 -0.08 0.00 -1.23 0.00 0.00 66.70 64.18 1hkx h VAL 353 Cb 0.64 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1hkx h VAL 353 CO 0.04 0.38 -0.05 0.74 -1.23 0.00 0.00 177.57 177.45 1hkx h THR 354 N 0.25 1.27 -0.68 7.19 2.02 -1.21 0.20 112.91 121.94 1hkx h THR 354 Ca 0.04 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1hkx h THR 354 Cb 0.66 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1hkx h THR 354 CO 0.05 0.38 0.30 -0.33 0.37 0.00 0.00 175.52 176.29 1hkx h GLU 355 N 0.58 1.00 -0.50 6.66 5.08 -0.88 -0.72 114.58 125.79 1hkx h GLU 355 Ca 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1hkx h GLU 355 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1hkx h GLU 355 CO 0.03 0.81 0.22 1.96 -1.00 0.00 0.00 179.01 181.03 1hkx h GLN 356 N 0.96 0.74 -0.03 2.33 4.20 -0.57 -0.60 115.11 122.13 1hkx h GLN 356 Ca 0.23 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1hkx h GLN 356 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1hkx h GLN 356 CO -0.02 0.64 -0.03 1.25 -0.67 0.00 0.00 178.83 180.00 1hkx h LEU 357 N 0.67 -0.08 -1.16 1.46 5.85 -0.27 -1.07 115.31 120.70 1hkx h LEU 357 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1hkx h LEU 357 Cb 0.16 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1hkx h LEU 357 CO -0.02 -0.04 0.57 0.40 -0.34 0.00 0.00 178.44 179.01 1hkx h ILE 358 N -0.03 1.20 -0.43 4.05 2.04 -0.93 -0.83 117.51 122.58 1hkx h ILE 358 Ca 0.02 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1hkx h ILE 358 Cb 0.06 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1hkx h ILE 358 CO -0.05 0.21 0.11 -0.33 0.00 0.00 0.00 178.15 178.08 1hkx h GLU 359 N 1.14 0.69 -0.36 2.37 5.08 -0.67 0.26 114.58 123.09 1hkx h GLU 359 Ca 0.32 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1hkx h GLU 359 Cb -0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1hkx h GLU 359 CO -0.08 0.70 0.22 0.00 -1.00 0.00 0.00 179.01 178.86 1hkx h ALA 360 N 0.96 0.46 0.05 3.43 0.00 -0.68 0.72 119.26 124.19 1hkx h ALA 360 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hkx h ALA 360 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1hkx h ALA 360 CO 0.00 -0.11 -0.04 0.82 0.00 0.00 0.00 179.25 179.92 1hkx h ILE 361 N 0.46 0.92 -0.05 0.00 2.04 -0.89 -0.85 117.51 119.13 1hkx h ILE 361 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1hkx h ILE 361 Cb -0.02 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1hkx h ILE 361 CO -0.05 0.00 0.04 -1.28 0.00 0.00 0.00 178.15 176.86 1hkx h SER 362 N -0.09 0.00 -0.57 1.72 0.87 -0.07 -1.55 113.55 113.86 1hkx h SER 362 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hkx h SER 362 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1hkx h SER 362 CO -0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 1hkx n ASN 363 N -4.24 3.61 -1.88 6.23 3.02 0.21 -4.94 115.26 117.27 1hkx n ASN 363 Ca -0.02 -1.99 -0.20 0.00 -0.03 0.00 0.00 54.58 52.35 1hkx n ASN 363 Cb 0.14 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1hkx n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hkx n GLY 364 N 1.57 0.69 3.48 7.41 0.00 -0.58 -4.91 105.19 112.84 1hkx n GLY 364 Ca 0.22 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1hkx n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hkx s ASP 365 N -2.44 6.91 0.44 1.61 3.68 -0.39 -4.85 116.67 121.61 1hkx s ASP 365 Ca 0.00 -2.62 0.10 0.00 2.13 0.00 0.00 52.55 52.16 1hkx s ASP 365 Cb 0.00 -2.43 0.96 0.00 -1.45 0.00 0.00 42.92 40.00 1hkx s ASP 365 CO 0.00 -0.92 2.05 0.15 0.13 0.00 0.00 175.17 176.58 1hkx h PHE 366 N 7.75 0.30 0.21 -5.34 3.57 -1.91 -2.49 116.94 119.03 1hkx h PHE 366 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1hkx h PHE 366 Cb 0.92 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1hkx h PHE 366 CO 1.17 0.24 -0.10 0.93 -2.23 0.00 0.00 178.31 178.32 1hkx h GLU 367 N 0.32 -0.27 -0.74 1.11 3.07 -1.97 -0.39 114.58 115.70 1hkx h GLU 367 Ca 0.08 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1hkx h GLU 367 Cb 0.06 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1hkx h GLU 367 CO -0.01 -0.13 0.42 0.77 -1.40 0.00 0.00 179.01 178.66 1hkx h SER 368 N -0.34 0.90 0.51 1.42 0.02 -1.94 -2.03 113.55 112.10 1hkx h SER 368 Ca -0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1hkx h SER 368 Cb 0.26 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1hkx h SER 368 CO 0.05 0.71 -0.31 0.22 -1.14 0.00 0.00 176.83 176.35 1hkx h TYR 369 N 1.03 -0.83 -0.58 3.45 3.20 -1.10 -2.20 116.97 119.94 1hkx h TYR 369 Ca 0.26 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.17 1hkx h TYR 369 Cb -0.00 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1hkx h TYR 369 CO 0.01 -0.48 0.38 1.79 -1.64 0.00 0.00 178.16 178.22 1hkx h THR 370 N -0.79 1.03 -0.26 1.81 1.35 -0.90 0.13 112.91 115.29 1hkx h THR 370 Ca -0.06 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1hkx h THR 370 Cb 0.64 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1hkx h THR 370 CO 0.06 0.11 0.15 0.50 -0.25 0.00 0.00 175.52 176.09 1hkx h LYS 371 N 0.61 0.35 -0.01 4.72 3.11 -0.98 -2.04 116.57 122.32 1hkx h LYS 371 Ca 0.24 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1hkx h LYS 371 Cb 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1hkx h LYS 371 CO -0.07 0.25 -0.25 -1.33 -2.81 0.00 0.00 179.45 175.24 1hkx n MET 372 N -4.48 0.99 -4.59 1.90 2.81 0.39 -4.91 117.12 109.24 1hkx n MET 372 Ca 0.01 -0.63 -0.32 0.00 -1.81 0.00 0.00 57.70 54.95 1hkx n MET 372 Cb 0.09 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 31.00 1hkx n MET 372 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkx s ASP 374 N -1.18 7.16 0.40 0.00 3.68 -0.30 -4.82 116.67 121.60 1hkx s ASP 374 Ca 0.15 2.28 0.14 0.00 2.13 0.00 0.00 52.55 57.26 1hkx s ASP 374 Cb -0.11 -2.62 0.99 0.00 -1.45 0.00 0.00 42.92 39.72 1hkx s ASP 374 CO 0.05 -0.22 1.87 -0.65 0.13 0.00 0.00 175.17 176.34 1hkx h PRO 375 N 3.62 0.49 -1.03 4.34 0.11 -1.91 -0.12 132.00 137.50 1hkx h PRO 375 Ca -0.47 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.24 1hkx h PRO 375 Cb 1.21 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 1hkx h PRO 375 CO 0.66 0.32 0.47 0.41 -0.21 0.00 0.00 178.00 179.66 1hkx n GLY 376 N -1.49 3.84 3.78 -0.55 0.00 -1.26 -4.13 105.19 105.38 1hkx n GLY 376 Ca 0.18 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1hkx n GLY 376 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hkx s MET 377 N -2.33 4.11 0.09 1.61 0.00 -0.06 -4.71 119.30 118.01 1hkx s MET 377 Ca 0.40 2.58 0.08 0.00 0.00 0.00 0.00 55.69 58.75 1hkx s MET 377 Cb 0.34 -2.97 -0.04 0.00 0.00 0.00 0.00 34.83 32.16 1hkx s MET 377 CO 0.07 -0.55 -0.18 0.99 0.00 0.00 0.00 175.02 175.35 1hkx s THR 378 N -1.01 2.82 -0.06 10.11 2.01 -0.70 -0.70 115.64 128.11 1hkx s THR 378 Ca 0.54 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1hkx s THR 378 Cb -0.47 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 69.83 1hkx s THR 378 CO 0.62 0.20 0.41 0.00 -0.69 0.00 0.00 174.62 175.16 1hkx s ALA 379 N -1.05 -1.04 -0.12 7.40 0.00 -0.07 -1.54 121.76 125.34 1hkx s ALA 379 Ca 0.17 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1hkx s ALA 379 Cb -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1hkx s ALA 379 CO 0.08 -0.27 -0.17 -0.06 0.00 0.00 0.00 175.76 175.35 1hkx s PHE 380 N -0.90 2.16 -0.02 0.00 2.99 -0.53 -1.07 117.98 120.60 1hkx s PHE 380 Ca -0.10 -1.06 -0.29 0.00 0.00 0.00 0.00 56.93 55.48 1hkx s PHE 380 Cb -0.04 -1.53 0.08 0.00 0.00 0.00 0.00 43.02 41.53 1hkx s PHE 380 CO 0.04 -0.54 0.73 -1.83 -0.00 0.00 0.00 175.22 173.63 1hkx s GLU 381 N 1.02 1.01 0.32 0.44 -1.05 -1.26 -0.23 118.70 118.95 1hkx s GLU 381 Ca -0.05 0.05 0.11 0.00 -0.15 0.00 0.00 54.97 54.93 1hkx s GLU 381 Cb -0.15 0.47 0.94 0.00 -0.44 0.00 0.00 34.13 34.96 1hkx s GLU 381 CO -0.03 -0.35 1.69 -1.35 0.95 0.00 0.00 175.26 176.17 1hkx h PRO 382 N 2.65 0.42 0.00 -4.83 0.11 -1.90 0.17 132.00 128.63 1hkx h PRO 382 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1hkx h PRO 382 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hkx h PRO 382 CO 0.37 0.28 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 1hkx h GLU 383 N 0.44 0.00 -0.44 1.05 3.07 -1.95 -2.19 114.58 114.56 1hkx h GLU 383 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1hkx h GLU 383 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1hkx h GLU 383 CO -0.55 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.06 1hkx n ALA 384 N -1.95 2.44 -4.10 3.43 0.00 0.59 -4.98 120.51 115.94 1hkx n ALA 384 Ca -0.01 -0.84 -0.28 0.00 0.00 0.00 0.00 53.44 52.32 1hkx n ALA 384 Cb 0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1hkx n ALA 384 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hkx n LEU 385 N 0.94 -1.73 0.00 0.00 4.77 -0.83 -1.07 117.00 119.08 1hkx n LEU 385 Ca 0.17 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1hkx n LEU 385 Cb 0.43 -1.98 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 1hkx n LEU 385 CO 0.12 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1hkx n GLY 386 N -2.18 0.94 3.89 -0.72 0.00 -1.26 -5.03 105.19 100.84 1hkx n GLY 386 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1hkx n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hkx s ASN 387 N -2.98 6.25 -0.30 1.61 0.01 -0.23 -5.07 114.94 114.24 1hkx s ASN 387 Ca 0.00 0.26 -0.22 0.00 -0.71 0.00 0.00 52.86 52.19 1hkx s ASN 387 Cb 0.00 -1.91 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1hkx s ASN 387 CO 0.00 0.20 0.71 -0.22 -1.51 0.00 0.00 177.10 176.29 1hkx s LEU 388 N -2.29 4.11 0.04 0.60 0.20 -1.26 -4.63 118.68 115.45 1hkx s LEU 388 Ca 0.32 0.60 -0.03 0.00 0.69 0.00 0.00 54.13 55.70 1hkx s LEU 388 Cb -0.13 -2.96 -0.04 0.00 -0.43 0.00 0.00 46.19 42.63 1hkx s LEU 388 CO 0.24 -0.53 0.25 -0.69 -0.29 0.00 0.00 176.35 175.33 1hkx s VAL 389 N 2.77 5.34 0.14 1.68 1.01 -0.23 -4.91 120.40 126.20 1hkx s VAL 389 Ca 0.29 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1hkx s VAL 389 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1hkx s VAL 389 CO 0.12 0.23 -0.20 -1.61 0.00 0.00 0.00 175.10 173.63 1hkx s GLU 390 N -2.19 1.68 0.13 2.72 2.02 -1.26 -0.89 118.70 120.90 1hkx s GLU 390 Ca 0.32 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1hkx s GLU 390 Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1hkx s GLU 390 CO 0.22 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1hkx n GLY 391 N 0.61 -1.60 0.01 -1.39 0.00 0.12 -4.56 105.19 98.37 1hkx n GLY 391 Ca -0.15 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1hkx n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hkx n LEU 392 N -2.32 0.77 -0.28 0.99 4.32 -1.26 -4.42 117.00 114.80 1hkx n LEU 392 Ca 0.00 -0.29 0.08 0.00 -0.02 0.00 0.00 56.01 55.78 1hkx n LEU 392 Cb 0.24 -0.07 0.23 0.00 -1.62 0.00 0.00 43.42 42.20 1hkx n LEU 392 CO 0.00 0.18 1.05 -0.78 -1.22 0.00 0.00 177.39 176.62 1hkx h ASP 393 N 0.00 0.36 0.33 -1.43 3.58 -1.96 -1.04 116.42 116.25 1hkx h ASP 393 Ca 0.00 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1hkx h ASP 393 Cb 0.57 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1hkx h ASP 393 CO 0.00 0.11 -0.32 0.15 -2.88 0.00 0.00 179.24 176.30 1hkx h PHE 394 N 0.48 0.00 0.00 0.28 3.04 -1.81 -2.99 116.94 115.95 1hkx h PHE 394 Ca 0.46 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.31 1hkx h PHE 394 Cb 0.74 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 1hkx h PHE 394 CO -0.14 0.32 -0.59 0.45 -2.02 0.00 0.00 178.31 176.34 1hkx h HIS 395 N 0.00 0.00 -0.66 0.41 -0.00 -1.48 -3.31 115.15 110.10 1hkx h HIS 395 Ca -0.00 0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.56 1hkx h HIS 395 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 1hkx h HIS 395 CO 0.00 0.47 0.56 -0.09 -0.00 0.00 0.00 177.93 178.87 1hkx h ARG 396 N 0.00 0.00 -0.42 2.45 2.43 -1.28 -1.74 114.38 115.81 1hkx h ARG 396 Ca -0.02 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1hkx h ARG 396 Cb 1.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1hkx h ARG 396 CO 0.06 0.00 -0.23 0.35 -1.51 0.00 0.00 179.97 178.64 1hkx h PHE 397 N 0.00 0.99 0.00 2.20 3.57 -1.75 -1.45 116.94 120.50 1hkx h PHE 397 Ca 0.31 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1hkx h PHE 397 Cb 1.43 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1hkx h PHE 397 CO 0.00 1.01 -0.19 1.88 -2.23 0.00 0.00 178.31 178.77 1hkx h TYR 398 N 0.75 0.00 0.00 0.41 -1.99 -1.56 -0.50 116.97 114.08 1hkx h TYR 398 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1hkx h TYR 398 Cb 0.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1hkx h TYR 398 CO 0.04 0.19 0.00 1.19 -0.00 0.00 0.00 178.16 179.59 1hkx n PHE 399 N -3.24 0.00 -0.57 4.88 3.72 -1.17 -3.91 117.46 117.17 1hkx n PHE 399 Ca 0.01 0.00 0.43 0.00 -0.05 0.00 0.00 57.45 57.85 1hkx n PHE 399 Cb 0.49 -0.19 0.68 0.00 -0.94 0.00 0.00 39.48 39.52 1hkx n PHE 399 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1hkx n GLU 400 N -1.06 -0.01 -2.42 -1.08 2.13 -0.56 -2.14 120.64 115.50 1hkx n GLU 400 Ca 0.00 0.95 -0.27 0.00 0.66 0.00 0.00 57.16 58.50 1hkx n GLU 400 Cb 0.00 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.58 1hkx n GLU 400 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hkx n ASN 401 N -3.79 4.78 -1.26 4.31 3.02 -0.20 -4.55 115.26 117.56 1hkx n ASN 401 Ca 0.37 -3.72 -0.03 0.00 -0.03 0.00 0.00 54.58 51.16 1hkx n ASN 401 Cb 1.65 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 1hkx n ASN 401 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1hkx n LEU 402 N -0.51 -0.73 0.15 3.41 7.94 -0.91 -4.90 117.00 121.45 1hkx n LEU 402 Ca 0.40 -1.63 0.10 0.00 -1.11 0.00 0.00 56.01 53.76 1hkx n LEU 402 Cb 0.69 0.13 0.52 0.00 0.53 0.00 0.00 43.42 45.28 1hkx n LEU 402 CO 0.34 1.24 0.81 0.79 -1.11 0.00 0.00 177.39 179.46 1hkx n TRP 403 N -0.31 0.64 0.00 1.96 5.03 -1.26 -2.52 117.44 120.99 1hkx n TRP 403 Ca -0.16 0.34 0.00 0.00 3.03 0.00 0.00 57.50 60.71 1hkx n TRP 403 Cb 0.60 -1.00 0.00 0.00 -1.03 0.00 0.00 31.31 29.88 1hkx n TRP 403 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1hkx n SER 404 N -2.18 0.00 -0.00 -0.99 7.64 -1.26 -2.26 113.62 114.56 1hkx n SER 404 Ca -0.01 0.37 0.17 0.00 1.01 0.00 0.00 58.87 60.41 1hkx n SER 404 Cb 0.08 -0.37 0.63 0.00 -1.01 0.00 0.00 64.21 63.54 1hkx n SER 404 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1hkx h ARG 405 N 0.00 0.13 -2.60 1.43 3.08 -1.87 -2.91 114.38 111.64 1hkx h ARG 405 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1hkx h ARG 405 Cb 0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1hkx h ARG 405 CO 0.00 0.08 0.17 0.09 -1.07 0.00 0.00 179.97 179.24 1hkx n ASN 406 N -4.43 2.25 0.18 7.04 3.02 -0.96 -2.97 115.26 119.39 1hkx n ASN 406 Ca 0.09 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1hkx n ASN 406 Cb 0.49 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1hkx n ASN 406 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hkx n SER 407 N 2.83 -1.62 -4.79 6.41 3.41 -1.10 -5.11 113.62 113.65 1hkx n SER 407 Ca 0.19 0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 59.06 1hkx n SER 407 Cb 0.38 1.66 -0.06 0.00 -0.26 0.00 0.00 64.21 65.93 1hkx n SER 407 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1hkx s LYS 408 N -2.00 4.03 0.18 4.33 0.00 -1.16 -5.04 119.74 120.09 1hkx s LYS 408 Ca 0.00 0.22 -0.32 0.00 0.00 0.00 0.00 55.97 55.87 1hkx s LYS 408 Cb 0.00 -3.32 -0.11 0.00 0.00 0.00 0.00 37.83 34.40 1hkx s LYS 408 CO 0.00 0.47 1.71 -2.14 0.00 0.00 0.00 175.35 175.38 1hkx s PRO 409 N -0.27 4.15 -0.21 1.78 0.02 -1.26 -4.89 135.00 134.31 1hkx s PRO 409 Ca 0.20 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.77 1hkx s PRO 409 Cb -0.14 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1hkx s PRO 409 CO 0.08 -0.74 -0.12 0.08 -0.33 0.00 0.00 177.00 175.97 1hkx s VAL 410 N 1.45 2.53 -0.10 3.83 1.01 -1.26 -4.32 120.40 123.53 1hkx s VAL 410 Ca 0.75 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1hkx s VAL 410 Cb -0.48 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1hkx s VAL 410 CO 0.32 0.37 -0.13 -2.28 0.00 0.00 0.00 175.10 173.38 1hkx s HIS 411 N 1.32 2.78 0.01 5.22 5.04 -0.75 -4.99 115.29 123.91 1hkx s HIS 411 Ca 0.02 -0.49 0.07 0.00 -1.54 0.00 0.00 55.06 53.12 1hkx s HIS 411 Cb -0.15 -1.78 -0.03 0.00 0.04 0.00 0.00 32.58 30.67 1hkx s HIS 411 CO -0.08 -0.09 -0.20 0.99 -2.34 0.00 0.00 174.74 173.02 1hkx s THR 412 N 0.01 2.60 -0.04 0.89 2.01 -1.26 -0.86 115.64 118.99 1hkx s THR 412 Ca -0.04 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1hkx s THR 412 Cb -0.14 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1hkx s THR 412 CO 0.04 0.46 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.42 1hkx s THR 413 N -0.79 1.05 -0.32 -0.82 2.01 -0.07 -5.00 115.64 111.71 1hkx s THR 413 Ca 0.12 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 1hkx s THR 413 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1hkx s THR 413 CO 0.02 0.32 0.14 -0.63 -0.69 0.00 0.00 174.62 173.78 1hkx s ILE 414 N 0.21 4.39 0.04 1.82 1.01 -1.26 -1.18 121.20 126.23 1hkx s ILE 414 Ca -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1hkx s ILE 414 Cb -0.11 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1hkx s ILE 414 CO 0.01 0.02 0.01 -0.76 0.00 0.00 0.00 174.94 174.23 1hkx s LEU 415 N 1.57 3.53 -1.49 2.97 1.43 -0.04 -4.71 118.68 121.93 1hkx s LEU 415 Ca 0.03 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1hkx s LEU 415 Cb -0.17 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1hkx s LEU 415 CO 0.05 0.23 0.30 -3.20 0.23 0.00 0.00 176.35 173.96 1hkx n ASN 416 N 0.98 -0.12 -4.74 2.29 5.15 -1.26 -1.87 115.26 115.70 1hkx n ASN 416 Ca -0.12 -1.11 -0.38 0.00 -0.60 0.00 0.00 54.58 52.37 1hkx n ASN 416 Cb 0.52 -2.49 0.05 0.00 -0.53 0.00 0.00 39.78 37.33 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1hkx n PRO 417 N -4.46 1.56 -3.64 1.20 -0.02 -1.26 -4.69 135.00 123.69 1hkx n PRO 417 Ca -0.28 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1hkx n PRO 417 Cb 0.67 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 1hkx n PRO 417 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1hkx s HIS 418 N -1.31 -0.12 0.00 6.00 3.76 -0.57 -5.00 115.29 118.05 1hkx s HIS 418 Ca 0.74 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 56.09 1hkx s HIS 418 Cb -0.41 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 1hkx s HIS 418 CO 0.47 -0.32 0.02 0.42 -0.85 0.00 0.00 174.74 174.48 1hkx s ILE 419 N 2.26 4.26 -0.17 0.60 1.09 -1.26 -1.74 121.20 126.25 1hkx s ILE 419 Ca 0.04 -0.58 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1hkx s ILE 419 Cb -0.13 -2.92 0.03 0.00 -1.06 0.00 0.00 42.46 38.39 1hkx s ILE 419 CO -0.06 0.36 -0.12 -1.00 -0.10 0.00 0.00 174.94 174.02 1hkx s HIS 420 N -1.12 2.19 -0.02 3.97 3.76 0.63 -4.98 115.29 119.72 1hkx s HIS 420 Ca 0.20 -1.32 -0.16 0.00 -0.15 0.00 0.00 55.06 53.64 1hkx s HIS 420 Cb -0.12 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.95 1hkx s HIS 420 CO 0.11 -0.68 0.45 -0.51 -0.85 0.00 0.00 174.74 173.26 1hkx s LEU 421 N 1.48 4.43 -0.36 0.89 1.43 -1.26 -0.93 118.68 124.36 1hkx s LEU 421 Ca 0.03 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1hkx s LEU 421 Cb -0.14 -2.66 0.14 0.00 0.03 0.00 0.00 46.19 43.57 1hkx s LEU 421 CO -0.10 0.24 0.22 -0.04 0.23 0.00 0.00 176.35 176.91 1hkx s MET 422 N -0.66 0.59 0.00 1.70 -1.94 0.67 -5.00 119.30 114.67 1hkx s MET 422 Ca 0.25 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.81 1hkx s MET 422 Cb -0.17 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 35.36 1hkx s MET 422 CO 0.13 -1.23 0.00 0.41 -0.01 0.00 0.00 175.02 174.32 1hkx n GLY 423 N 3.91 -1.21 0.02 -0.03 0.00 -1.26 -3.05 105.19 103.57 1hkx n GLY 423 Ca 0.14 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.71 1hkx n GLY 423 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkx n ASP 424 N -1.09 0.42 -0.25 1.61 8.00 -1.26 -3.94 116.55 120.03 1hkx n ASP 424 Ca 0.00 -0.14 0.02 0.00 0.71 0.00 0.00 54.79 55.39 1hkx n ASP 424 Cb 0.00 0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1hkx n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hkx n GLU 425 N -1.43 1.85 -3.82 -1.24 -0.58 -1.26 -4.87 120.64 109.29 1hkx n GLU 425 Ca 0.07 -1.43 -0.18 0.00 -0.42 0.00 0.00 57.16 55.20 1hkx n GLU 425 Cb 0.33 -1.11 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 1hkx n GLU 425 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1hkx s SER 426 N -0.80 0.75 0.07 1.62 0.15 -1.17 0.11 113.70 114.43 1hkx s SER 426 Ca 0.09 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1hkx s SER 426 Cb 0.05 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1hkx s SER 426 CO 0.07 -0.16 -0.05 0.00 1.20 0.00 0.00 173.24 174.30 1hkx s ALA 427 N 1.48 0.73 -0.04 5.45 0.00 -0.24 -0.23 121.76 128.91 1hkx s ALA 427 Ca -0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1hkx s ALA 427 Cb -0.13 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1hkx s ALA 427 CO -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 175.76 175.48 1hkx s ILE 429 N 1.54 1.55 -0.06 0.00 2.07 -0.72 -0.27 121.20 125.31 1hkx s ILE 429 Ca -0.03 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.44 1hkx s ILE 429 Cb -0.13 -1.32 0.01 0.00 0.13 0.00 0.00 42.46 41.15 1hkx s ILE 429 CO -0.03 0.44 -0.13 0.00 -1.91 0.00 0.00 174.94 173.31 1hkx s ALA 430 N -0.07 1.33 0.21 1.50 0.00 -0.71 -0.95 121.76 123.07 1hkx s ALA 430 Ca -0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 1hkx s ALA 430 Cb -0.11 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1hkx s ALA 430 CO 0.02 0.15 0.54 1.52 0.00 0.00 0.00 175.76 177.99 1hkx s TYR 431 N 0.53 -0.07 -0.12 0.00 -0.85 -0.76 -1.51 117.35 114.57 1hkx s TYR 431 Ca -0.13 -0.29 -0.16 0.00 -0.52 0.00 0.00 57.07 55.98 1hkx s TYR 431 Cb -0.15 0.40 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 1hkx s TYR 431 CO 0.04 -0.96 0.38 0.42 -1.52 0.00 0.00 175.55 173.91 1hkx s ILE 432 N -3.89 5.23 -0.30 -3.49 -1.09 -0.78 -1.52 121.20 115.35 1hkx s ILE 432 Ca 0.11 0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1hkx s ILE 432 Cb -0.01 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1hkx s ILE 432 CO -0.00 0.39 0.08 -0.60 -1.23 0.00 0.00 174.94 173.58 1hkx s ARG 433 N 0.29 3.01 -0.17 2.79 3.52 0.29 -0.87 118.95 127.83 1hkx s ARG 433 Ca 0.21 -0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 1hkx s ARG 433 Cb -0.14 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1hkx s ARG 433 CO 0.08 -0.47 -0.01 0.42 -0.81 0.00 0.00 175.30 174.51 1hkx s ILE 434 N 1.48 4.08 -0.13 4.11 1.01 -0.32 -2.07 121.20 129.37 1hkx s ILE 434 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1hkx s ILE 434 Cb -0.17 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1hkx s ILE 434 CO 0.02 0.47 -0.21 -0.89 0.00 0.00 0.00 174.94 174.33 1hkx s THR 435 N 0.52 2.25 -0.26 2.92 2.01 -0.34 -0.89 115.64 121.85 1hkx s THR 435 Ca -0.01 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 1hkx s THR 435 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1hkx s THR 435 CO 0.02 0.55 0.05 -1.10 -0.69 0.00 0.00 174.62 173.45 1hkx s GLN 436 N 0.58 3.40 0.20 4.92 -0.21 -0.04 -1.26 119.66 127.25 1hkx s GLN 436 Ca -0.12 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1hkx s GLN 436 Cb -0.17 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 1hkx s GLN 436 CO 0.04 -0.29 0.08 1.52 -2.12 0.00 0.00 175.29 174.52 1hkx s TYR 437 N 1.55 1.25 0.00 0.91 -0.85 -0.84 -1.81 117.35 117.56 1hkx s TYR 437 Ca 0.05 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.38 1hkx s TYR 437 Cb -0.16 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.49 1hkx s TYR 437 CO 0.02 -0.44 0.00 1.28 -1.52 0.00 0.00 175.55 174.89 1hkx n LEU 438 N -0.30 0.00 0.00 -3.49 4.77 -1.26 -1.03 117.00 115.69 1hkx n LEU 438 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1hkx n LEU 438 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1hkx n LEU 438 CO 0.34 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.87 1hkx n ASP 439 N 0.00 -2.24 -3.75 -1.43 9.92 -1.25 -4.50 116.55 113.29 1hkx n ASP 439 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1hkx n ASP 439 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hkx n ALA 440 N 0.77 -1.35 -0.34 2.24 0.00 -1.26 -1.22 120.51 119.34 1hkx n ALA 440 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1hkx n ALA 440 Cb 0.00 -4.79 0.00 0.00 0.00 0.00 0.00 19.45 14.66 1hkx n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkx n GLY 441 N -1.82 1.18 2.52 0.00 0.00 -1.26 -3.98 105.19 101.84 1hkx n GLY 441 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1hkx n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkx n GLY 442 N -1.70 1.54 3.85 -0.02 0.00 -0.83 -4.96 105.19 103.07 1hkx n GLY 442 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1hkx n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hkx s ILE 443 N -2.73 5.09 -0.04 -0.61 1.01 -0.36 -4.58 121.20 118.98 1hkx s ILE 443 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 1hkx s ILE 443 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1hkx s ILE 443 CO 0.00 0.53 1.28 -2.84 0.00 0.00 0.00 174.94 173.91 1hkx s PRO 444 N -1.23 4.32 0.11 2.79 0.02 -1.26 -3.92 135.00 135.82 1hkx s PRO 444 Ca 0.25 1.78 0.02 0.00 0.02 0.00 0.00 61.00 63.07 1hkx s PRO 444 Cb -0.16 -3.58 -0.04 0.00 0.02 0.00 0.00 34.50 30.74 1hkx s PRO 444 CO 0.13 -0.52 -0.07 1.03 -0.33 0.00 0.00 177.00 177.24 1hkx s ARG 445 N 2.39 0.87 -0.06 5.54 0.52 -0.19 -5.01 118.95 123.01 1hkx s ARG 445 Ca 0.59 -1.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.50 1hkx s ARG 445 Cb -0.27 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 34.89 1hkx s ARG 445 CO 0.23 0.01 -0.18 0.99 0.02 0.00 0.00 175.30 176.37 1hkx s THR 446 N -3.45 1.51 0.02 0.02 2.01 -1.26 -2.00 115.64 112.49 1hkx s THR 446 Ca 0.12 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1hkx s THR 446 Cb 0.04 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1hkx s THR 446 CO -0.03 0.43 -0.24 0.00 -0.69 0.00 0.00 174.62 174.09 1hkx s ALA 447 N 0.17 2.34 0.07 7.40 0.00 -0.39 -4.97 121.76 126.39 1hkx s ALA 447 Ca -0.08 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1hkx s ALA 447 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1hkx s ALA 447 CO 0.03 0.54 -0.24 -1.14 0.00 0.00 0.00 175.76 174.96 1hkx s GLN 448 N -1.12 1.49 -0.16 0.00 0.74 -1.26 -1.20 119.66 118.15 1hkx s GLN 448 Ca 0.12 -1.13 -0.22 0.00 0.05 0.00 0.00 55.36 54.18 1hkx s GLN 448 Cb -0.10 -1.74 0.06 0.00 1.10 0.00 0.00 33.01 32.33 1hkx s GLN 448 CO 0.02 0.43 0.58 -1.54 -0.55 0.00 0.00 175.29 174.23 1hkx s SER 449 N -1.51 -0.57 -0.14 6.67 1.04 -0.88 -2.38 113.70 115.93 1hkx s SER 449 Ca 0.10 0.96 -0.16 0.00 0.48 0.00 0.00 55.95 57.33 1hkx s SER 449 Cb -0.10 0.96 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1hkx s SER 449 CO 0.03 -0.32 0.39 -1.61 0.98 0.00 0.00 173.24 172.72 1hkx s GLU 450 N -0.19 4.30 0.03 4.02 8.01 0.18 -0.54 118.70 134.51 1hkx s GLU 450 Ca -0.04 0.29 0.05 0.00 0.01 0.00 0.00 54.97 55.28 1hkx s GLU 450 Cb -0.03 -3.43 -0.02 0.00 -4.31 0.00 0.00 34.13 26.33 1hkx s GLU 450 CO 0.03 0.19 -0.15 -1.21 0.01 0.00 0.00 175.26 174.13 1hkx s GLU 451 N 0.57 1.05 -0.08 1.61 2.02 -0.57 -0.61 118.70 122.69 1hkx s GLU 451 Ca 0.22 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1hkx s GLU 451 Cb -0.14 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 33.03 1hkx s GLU 451 CO 0.07 0.27 -0.15 0.99 0.02 0.00 0.00 175.26 176.46 1hkx s THR 452 N -0.77 1.41 -0.10 3.63 2.01 -0.30 -1.82 115.64 119.71 1hkx s THR 452 Ca 0.03 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1hkx s THR 452 Cb -0.08 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1hkx s THR 452 CO 0.01 0.42 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.05 1hkx s ARG 453 N 0.67 2.46 -0.27 4.92 1.81 -0.12 -1.27 118.95 127.14 1hkx s ARG 453 Ca -0.14 -0.67 -0.07 0.00 -1.72 0.00 0.00 55.73 53.13 1hkx s ARG 453 Cb -0.16 -1.96 -0.01 0.00 -0.45 0.00 0.00 34.95 32.37 1hkx s ARG 453 CO 0.04 0.06 0.08 0.08 -0.68 0.00 0.00 175.30 174.88 1hkx s VAL 454 N 0.63 4.19 -0.12 3.52 1.01 0.60 -1.76 120.40 128.47 1hkx s VAL 454 Ca -0.14 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1hkx s VAL 454 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1hkx s VAL 454 CO 0.04 0.21 0.10 0.26 0.00 0.00 0.00 175.10 175.71 1hkx s TRP 455 N 1.57 3.46 -0.06 5.22 0.52 0.77 -0.72 118.94 129.70 1hkx s TRP 455 Ca 0.05 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.58 1hkx s TRP 455 Cb -0.16 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1hkx s TRP 455 CO 0.03 0.61 -0.05 -1.58 0.02 0.00 0.00 176.95 175.98 1hkx s HIS 456 N -0.83 0.92 -0.30 -1.98 2.46 0.34 -1.08 115.29 114.83 1hkx s HIS 456 Ca 0.13 -0.30 -0.29 0.00 0.47 0.00 0.00 55.06 55.07 1hkx s HIS 456 Cb -0.12 -0.80 0.02 0.00 -0.13 0.00 0.00 32.58 31.55 1hkx s HIS 456 CO 0.03 -0.25 1.07 0.50 -2.47 0.00 0.00 174.74 173.62 1hkx s ARG 457 N 1.08 4.11 -0.12 2.88 6.06 0.29 -0.94 118.95 132.30 1hkx s ARG 457 Ca -0.08 1.15 0.00 0.00 -2.50 0.00 0.00 55.73 54.30 1hkx s ARG 457 Cb -0.14 -3.72 0.02 0.00 0.06 0.00 0.00 34.95 31.17 1hkx s ARG 457 CO -0.01 -0.84 -0.12 0.50 -2.50 0.00 0.00 175.30 172.33 1hkx s ARG 458 N 3.56 1.97 -1.52 5.12 3.52 -0.55 -4.82 118.95 126.22 1hkx s ARG 458 Ca 0.45 -0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 55.56 1hkx s ARG 458 Cb -0.13 -1.84 0.05 0.00 -1.56 0.00 0.00 34.95 31.46 1hkx s ARG 458 CO 0.13 -0.21 0.43 -0.25 -0.81 0.00 0.00 175.30 174.59 1hkx n ASP 459 N 4.70 -0.82 0.00 -2.12 8.00 -1.26 -2.47 116.55 122.57 1hkx n ASP 459 Ca -0.16 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1hkx n ASP 459 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 1hkx n ASP 459 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkx n GLY 460 N -1.94 2.88 3.86 0.44 0.00 -1.26 -5.03 105.19 104.13 1hkx n GLY 460 Ca -0.21 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1hkx n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkx s LYS 461 N 0.00 3.25 0.22 1.61 -2.85 -1.03 -5.06 119.74 115.87 1hkx s LYS 461 Ca 0.00 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 1hkx s LYS 461 Cb 0.00 -2.96 -0.08 0.00 -2.06 0.00 0.00 37.83 32.73 1hkx s LYS 461 CO 0.00 0.63 1.07 -1.58 0.10 0.00 0.00 175.35 175.57 1hkx s TRP 462 N -1.36 3.66 0.02 1.78 0.52 -1.26 -1.48 118.94 120.81 1hkx s TRP 462 Ca 0.29 1.69 0.03 0.00 0.02 0.00 0.00 56.10 58.13 1hkx s TRP 462 Cb -0.13 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 28.95 1hkx s TRP 462 CO 0.21 -0.40 -0.10 -0.65 0.02 0.00 0.00 176.95 176.04 1hkx s GLN 463 N -0.80 0.69 -0.02 4.98 -0.21 -0.12 -4.84 119.66 119.34 1hkx s GLN 463 Ca 0.46 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 1hkx s GLN 463 Cb -0.29 -0.63 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 1hkx s GLN 463 CO 0.36 0.16 1.00 0.42 -2.12 0.00 0.00 175.29 175.11 1hkx s ILE 464 N -0.66 4.80 -0.06 1.08 1.01 0.11 -0.51 121.20 126.98 1hkx s ILE 464 Ca -0.01 2.02 0.16 0.00 0.00 0.00 0.00 60.65 62.82 1hkx s ILE 464 Cb -0.06 -4.29 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1hkx s ILE 464 CO 0.00 0.13 0.28 0.55 0.00 0.00 0.00 174.94 175.90 1hkx n VAL 465 N 4.02 0.28 -3.59 2.92 3.14 0.10 -1.15 118.33 124.06 1hkx n VAL 465 Ca 0.07 -0.45 -0.12 0.00 -2.96 0.00 0.00 64.34 60.88 1hkx n VAL 465 Cb 0.50 -0.07 -0.06 0.00 -1.06 0.00 0.00 33.84 33.16 1hkx n VAL 465 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1hkx s HIS 466 N -2.95 -0.50 -0.00 1.45 5.65 -1.22 -1.72 115.29 116.00 1hkx s HIS 466 Ca -0.06 1.02 -0.10 0.00 0.25 0.00 0.00 55.06 56.17 1hkx s HIS 466 Cb 0.09 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.90 1hkx s HIS 466 CO 0.67 -0.36 0.20 -0.59 -0.65 0.00 0.00 174.74 174.01 1hkx s PHE 467 N -0.56 -0.04 -0.10 3.88 -0.12 -0.59 -0.29 117.98 120.16 1hkx s PHE 467 Ca -0.02 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.86 1hkx s PHE 467 Cb -0.02 0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1hkx s PHE 467 CO 0.01 -0.33 -0.02 -1.58 -0.05 0.00 0.00 175.22 173.25 1hkx s HIS 468 N -1.37 0.97 -0.09 3.49 2.46 -0.40 -1.46 115.29 118.89 1hkx s HIS 468 Ca -0.14 -0.42 0.02 0.00 0.47 0.00 0.00 55.06 54.99 1hkx s HIS 468 Cb -0.07 -0.96 -0.02 0.00 -0.13 0.00 0.00 32.58 31.40 1hkx s HIS 468 CO 0.03 -0.41 -0.16 0.50 -2.47 0.00 0.00 174.74 172.23 1hkx s ARG 469 N 1.88 2.91 -0.01 2.88 3.52 0.68 -1.15 118.95 129.65 1hkx s ARG 469 Ca 0.04 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1hkx s ARG 469 Cb -0.13 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 1hkx s ARG 469 CO -0.06 0.40 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.48 1hkx s SER 470 N -0.15 2.64 0.00 -2.12 0.01 0.22 -3.93 113.70 110.38 1hkx s SER 470 Ca -0.01 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1hkx s SER 470 Cb -0.14 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1hkx s SER 470 CO 0.03 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1hkx n GLY 471 N 2.41 0.11 1.07 3.44 0.00 -1.26 0.47 105.19 111.43 1hkx n GLY 471 Ca -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1hkx n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkx n ALA 472 N -0.85 3.00 0.00 4.61 0.00 -1.00 -4.87 120.51 121.40 1hkx n ALA 472 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hkx n ALA 472 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1hkx n ALA 472 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hkx n PRO 473 N -3.25 0.00 -0.08 0.00 -0.02 -1.26 -4.96 135.00 125.43 1hkx n PRO 473 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1hkx n PRO 473 Cb 0.23 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.63 1hkx n PRO 473 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hkx h SER 474 N 0.00 0.00 0.00 2.55 0.87 -2.00 -3.50 113.55 111.47 1hkx h SER 474 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1hkx h SER 474 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hkx h SER 474 CO 0.00 1.05 0.00 0.52 -0.53 0.00 0.00 176.83 177.87