#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx s PRO 333 N 0.00 1.36 -0.51 1.61 0.04 -1.26 -4.31 135.00 131.93 1hkx s PRO 333 Ca 0.00 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1hkx s PRO 333 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1hkx s PRO 333 CO 0.00 -2.32 0.45 1.58 0.04 0.00 0.00 177.00 176.75 1hkx n HIS 334 N -4.00 -1.30 0.22 0.56 -0.00 -1.26 -4.95 115.22 104.50 1hkx n HIS 334 Ca 0.10 0.46 0.10 0.00 -0.00 0.00 0.00 57.72 58.38 1hkx n HIS 334 Cb 0.53 -3.25 0.48 0.00 -0.00 0.00 0.00 29.99 27.74 1hkx n HIS 334 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 1hkx h MET 335 N -0.42 0.00 -3.36 1.57 4.05 -2.04 -3.36 114.93 111.37 1hkx h MET 335 Ca -0.26 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.67 1hkx h MET 335 Cb 1.13 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1hkx h MET 335 CO 0.21 0.23 3.02 0.25 0.23 0.00 0.00 176.91 180.86 1hkx n THR 336 N -3.44 3.05 0.00 -0.77 -2.24 -1.26 -4.69 114.28 104.93 1hkx n THR 336 Ca -0.00 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1hkx n THR 336 Cb 0.42 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 1hkx n THR 336 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1hkx n THR 337 N 4.11 0.00 -2.13 4.28 5.66 -1.26 -5.07 114.28 119.87 1hkx n THR 337 Ca 0.56 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 61.23 1hkx n THR 337 Cb 0.18 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 1hkx n THR 337 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1hkx s ILE 338 N -2.00 3.49 -1.56 1.09 -1.09 -1.26 -4.75 121.20 115.12 1hkx s ILE 338 Ca 0.00 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 1hkx s ILE 338 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1hkx s ILE 338 CO 0.00 -1.10 0.73 1.21 -1.23 0.00 0.00 174.94 174.55 1hkx n GLU 339 N 9.00 0.94 -2.96 2.79 4.07 -1.26 -4.66 120.64 128.56 1hkx n GLU 339 Ca 0.31 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.97 1hkx n GLU 339 Cb 0.49 -1.21 -0.04 0.00 -0.06 0.00 0.00 31.44 30.62 1hkx n GLU 339 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1hkx s ASP 340 N -0.61 6.23 -0.27 4.31 -0.00 -1.26 -4.86 116.67 120.21 1hkx s ASP 340 Ca 0.00 -1.28 0.09 0.00 -0.00 0.00 0.00 52.55 51.36 1hkx s ASP 340 Cb 0.00 -2.37 0.47 0.00 -0.00 0.00 0.00 42.92 41.01 1hkx s ASP 340 CO 0.00 -1.28 1.35 1.21 -0.00 0.00 0.00 175.17 176.46 1hkx n GLU 341 N 7.06 1.88 0.23 8.23 4.07 -1.26 -4.46 120.64 136.39 1hkx n GLU 341 Ca -0.03 -3.32 0.14 0.00 -0.06 0.00 0.00 57.16 53.89 1hkx n GLU 341 Cb 0.45 -1.78 0.38 0.00 -0.06 0.00 0.00 31.44 30.42 1hkx n GLU 341 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1hkx h ASP 342 N 1.11 0.00 0.44 4.31 2.03 -1.99 -2.09 116.42 120.22 1hkx h ASP 342 Ca 0.15 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.38 1hkx h ASP 342 Cb 1.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 1hkx h ASP 342 CO 0.28 0.00 -0.32 0.71 -1.03 0.00 0.00 179.24 178.88 1hkx h THR 343 N 0.00 1.07 -0.28 1.15 1.35 -1.99 0.42 112.91 114.63 1hkx h THR 343 Ca 0.00 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.66 1hkx h THR 343 Cb 0.79 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1hkx h THR 343 CO 0.00 0.31 -0.02 0.50 -0.25 0.00 0.00 175.52 176.06 1hkx h LYS 344 N 0.00 0.50 0.00 4.72 1.63 -1.70 -1.45 116.57 120.27 1hkx h LYS 344 Ca -0.00 -0.17 -0.15 0.00 -0.85 0.00 0.00 60.65 59.47 1hkx h LYS 344 Cb 0.62 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1hkx h LYS 344 CO 0.04 0.68 -0.72 -0.39 -3.45 0.00 0.00 179.45 175.62 1hkx h VAL 345 N 0.28 1.36 -0.52 2.00 -1.51 -1.35 -2.59 116.25 113.91 1hkx h VAL 345 Ca 0.08 -2.59 -0.10 0.00 -1.23 0.00 0.00 66.70 62.85 1hkx h VAL 345 Cb 0.47 2.46 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 1hkx h VAL 345 CO 0.02 0.70 -0.08 0.03 -1.23 0.00 0.00 177.57 177.01 1hkx h ARG 346 N 0.00 0.98 -0.42 5.19 3.08 -0.09 -0.62 114.38 122.49 1hkx h ARG 346 Ca -0.01 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1hkx h ARG 346 Cb 1.40 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1hkx h ARG 346 CO 0.09 1.02 -0.21 0.87 -1.07 0.00 0.00 179.97 180.68 1hkx h LYS 347 N 0.85 0.83 -0.08 0.04 1.57 -1.25 -1.81 116.57 116.72 1hkx h LYS 347 Ca 0.14 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1hkx h LYS 347 Cb 0.63 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1hkx h LYS 347 CO 0.04 0.96 -0.27 0.37 -0.57 0.00 0.00 179.45 179.98 1hkx h GLN 348 N 0.72 0.14 -0.10 3.15 5.75 -1.22 0.09 115.11 123.64 1hkx h GLN 348 Ca 0.10 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1hkx h GLN 348 Cb 0.73 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 1hkx h GLN 348 CO 0.06 0.40 0.06 1.49 -2.65 0.00 0.00 178.83 178.19 1hkx h GLU 349 N 0.12 0.14 -0.66 1.69 4.57 -0.46 -0.31 114.58 119.68 1hkx h GLU 349 Ca 0.02 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1hkx h GLU 349 Cb 0.55 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1hkx h GLU 349 CO 0.04 0.14 0.18 0.82 -1.18 0.00 0.00 179.01 179.01 1hkx h ILE 350 N 0.10 1.26 -0.40 2.32 5.03 -0.71 -2.43 117.51 122.68 1hkx h ILE 350 Ca 0.04 -0.91 -0.03 0.00 -0.12 0.00 0.00 64.86 63.84 1hkx h ILE 350 Cb 0.04 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.39 1hkx h ILE 350 CO -0.01 0.35 0.12 0.40 -0.68 0.00 0.00 178.15 178.33 1hkx h ILE 351 N 0.97 1.17 -0.23 -0.67 2.04 -0.64 -1.95 117.51 118.20 1hkx h ILE 351 Ca 0.21 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1hkx h ILE 351 Cb 0.34 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1hkx h ILE 351 CO -0.00 0.21 -0.06 0.50 0.00 0.00 0.00 178.15 178.81 1hkx h LYS 352 N 0.57 0.44 -0.21 2.37 3.64 -0.61 -1.29 116.57 121.48 1hkx h LYS 352 Ca 0.13 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1hkx h LYS 352 Cb 0.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1hkx h LYS 352 CO -0.01 0.67 -0.22 -0.39 -2.27 0.00 0.00 179.45 177.23 1hkx h VAL 353 N 0.17 1.25 -0.44 2.00 -1.51 -1.29 0.72 116.25 117.15 1hkx h VAL 353 Ca 0.06 -1.15 -0.07 0.00 -1.23 0.00 0.00 66.70 64.31 1hkx h VAL 353 Cb 0.51 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1hkx h VAL 353 CO 0.02 0.36 0.02 0.74 -1.23 0.00 0.00 177.57 177.48 1hkx h THR 354 N 0.34 1.26 -0.75 7.19 2.02 -1.25 0.29 112.91 122.02 1hkx h THR 354 Ca 0.06 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1hkx h THR 354 Cb 0.59 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1hkx h THR 354 CO 0.04 0.34 0.32 -0.33 0.37 0.00 0.00 175.52 176.27 1hkx h GLU 355 N 0.61 1.10 -0.40 6.66 5.08 -0.74 -0.54 114.58 126.35 1hkx h GLU 355 Ca 0.13 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1hkx h GLU 355 Cb 0.46 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1hkx h GLU 355 CO 0.02 0.89 0.12 1.96 -1.00 0.00 0.00 179.01 181.00 1hkx h GLN 356 N 1.07 0.62 -0.11 2.33 4.20 -0.47 -0.67 115.11 122.08 1hkx h GLN 356 Ca 0.25 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1hkx h GLN 356 Cb 0.17 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1hkx h GLN 356 CO -0.03 0.62 -0.03 1.25 -0.67 0.00 0.00 178.83 179.97 1hkx h LEU 357 N 0.49 -0.12 -1.24 1.46 5.85 -0.05 -1.14 115.31 120.57 1hkx h LEU 357 Ca 0.13 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1hkx h LEU 357 Cb 0.26 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1hkx h LEU 357 CO -0.00 -0.05 0.52 0.40 -0.34 0.00 0.00 178.44 178.97 1hkx h ILE 358 N -0.01 1.18 -0.42 4.05 2.04 -0.90 -0.92 117.51 122.53 1hkx h ILE 358 Ca 0.05 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1hkx h ILE 358 Cb 0.09 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1hkx h ILE 358 CO -0.12 0.19 0.05 -0.33 0.00 0.00 0.00 178.15 177.94 1hkx h GLU 359 N 1.04 0.71 -0.34 2.37 5.08 -0.58 0.25 114.58 123.11 1hkx h GLU 359 Ca 0.29 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1hkx h GLU 359 Cb -0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1hkx h GLU 359 CO -0.07 0.76 0.22 0.00 -1.00 0.00 0.00 179.01 178.92 1hkx h ALA 360 N 0.93 0.43 0.03 3.43 0.00 -0.69 0.85 119.26 124.23 1hkx h ALA 360 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hkx h ALA 360 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hkx h ALA 360 CO 0.01 -0.12 -0.03 0.82 0.00 0.00 0.00 179.25 179.93 1hkx h ILE 361 N 0.44 0.93 -0.06 0.00 2.04 -0.91 -0.86 117.51 119.10 1hkx h ILE 361 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1hkx h ILE 361 Cb -0.03 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1hkx h ILE 361 CO -0.04 0.00 0.05 -1.28 0.00 0.00 0.00 178.15 176.88 1hkx h SER 362 N -0.06 0.00 -0.60 1.72 0.87 -0.07 -1.42 113.55 113.99 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1hkx h SER 362 CO -0.01 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.88 1hkx n ASN 363 N -4.27 3.60 -2.01 6.23 3.02 0.25 -4.92 115.26 117.17 1hkx n ASN 363 Ca -0.02 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.34 1hkx n ASN 363 Cb 0.15 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.63 3.48 7.41 0.00 -0.54 -4.91 105.19 112.84 1hkx n GLY 364 Ca 0.22 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.39 6.95 0.47 1.61 3.68 -0.39 -4.85 116.67 121.75 1hkx s ASP 365 Ca 0.00 -2.73 0.12 0.00 2.13 0.00 0.00 52.55 52.07 1hkx s ASP 365 Cb 0.00 -2.42 1.08 0.00 -1.45 0.00 0.00 42.92 40.12 1hkx s ASP 365 CO 0.00 -0.87 2.09 0.15 0.13 0.00 0.00 175.17 176.68 1hkx h PHE 366 N 7.56 0.20 0.15 -5.34 3.57 -1.88 -2.40 116.94 118.80 1hkx h PHE 366 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1hkx h PHE 366 Cb 0.90 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1hkx h PHE 366 CO 1.15 0.15 -0.07 0.93 -2.23 0.00 0.00 178.31 178.24 1hkx h GLU 367 N 0.21 -0.20 -0.78 1.11 3.07 -1.97 -0.43 114.58 115.59 1hkx h GLU 367 Ca 0.06 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1hkx h GLU 367 Cb 0.02 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1hkx h GLU 367 CO -0.01 -0.03 0.44 0.77 -1.40 0.00 0.00 179.01 178.78 1hkx h SER 368 N -0.33 0.95 0.54 1.42 0.02 -1.93 -1.99 113.55 112.24 1hkx h SER 368 Ca -0.02 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1hkx h SER 368 Cb 0.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1hkx h SER 368 CO 0.03 0.76 -0.37 0.22 -1.14 0.00 0.00 176.83 176.33 1hkx h TYR 369 N 1.08 -1.00 -0.69 3.45 3.20 -1.11 -2.12 116.97 119.78 1hkx h TYR 369 Ca 0.28 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.22 1hkx h TYR 369 Cb 0.01 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1hkx h TYR 369 CO 0.01 -0.55 0.45 1.79 -1.64 0.00 0.00 178.16 178.22 1hkx h THR 370 N -0.88 0.97 -0.18 1.81 1.35 -0.89 0.25 112.91 115.34 1hkx h THR 370 Ca -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1hkx h THR 370 Cb 0.74 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1hkx h THR 370 CO 0.04 0.12 0.12 0.50 -0.25 0.00 0.00 175.52 176.04 1hkx h LYS 371 N 0.64 0.24 -0.01 4.72 3.11 -0.94 -2.01 116.57 122.33 1hkx h LYS 371 Ca 0.31 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 1hkx h LYS 371 Cb 0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1hkx h LYS 371 CO -0.10 0.16 -0.32 -1.33 -2.81 0.00 0.00 179.45 175.05 1hkx n MET 372 N -4.51 0.87 -4.50 1.90 2.81 0.81 -4.91 117.12 109.58 1hkx n MET 372 Ca -0.00 -0.56 -0.33 0.00 -1.81 0.00 0.00 57.70 55.00 1hkx n MET 372 Cb 0.08 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 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 -1.20 7.19 0.43 0.00 3.68 -0.00 -4.81 116.67 121.95 1hkx s ASP 374 Ca 0.15 2.22 0.18 0.00 2.13 0.00 0.00 52.55 57.23 1hkx s ASP 374 Cb -0.11 -2.62 1.11 0.00 -1.45 0.00 0.00 42.92 39.85 1hkx s ASP 374 CO 0.05 -0.20 1.90 -0.65 0.13 0.00 0.00 175.17 176.40 1hkx h PRO 375 N 3.59 0.36 -0.98 4.34 0.11 -1.91 -0.47 132.00 137.03 1hkx h PRO 375 Ca -0.47 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.26 1hkx h PRO 375 Cb 1.21 -0.08 -0.22 0.00 0.11 0.00 0.00 31.00 32.02 1hkx h PRO 375 CO 0.66 0.24 0.46 0.41 -0.21 0.00 0.00 178.00 179.56 1hkx n GLY 376 N -1.54 3.79 3.76 -0.55 0.00 -1.26 -4.13 105.19 105.26 1hkx n GLY 376 Ca 0.16 -0.81 -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 -0.13 0.00 0.00 0.00 173.32 173.19 1hkx n MET 377 N -0.66 2.62 -4.30 1.61 0.00 -0.19 -4.69 117.12 111.51 1hkx n MET 377 Ca 0.43 0.92 -0.30 0.00 0.00 0.00 0.00 57.70 58.76 1hkx n MET 377 Cb 1.36 -2.65 -0.11 0.00 0.00 0.00 0.00 33.22 31.82 1hkx n MET 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1hkx s THR 378 N -0.79 3.03 -0.07 1.12 2.01 -0.64 -0.81 115.64 119.49 1hkx s THR 378 Ca 0.57 -1.39 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 1hkx s THR 378 Cb -0.49 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 69.67 1hkx s THR 378 CO 0.59 0.12 0.48 0.00 -0.69 0.00 0.00 174.62 175.12 1hkx s ALA 379 N -1.15 -1.21 -0.12 7.40 0.00 0.04 -1.70 121.76 125.01 1hkx s ALA 379 Ca 0.19 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1hkx s ALA 379 Cb -0.11 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1hkx s ALA 379 CO 0.11 -0.29 -0.18 -0.06 0.00 0.00 0.00 175.76 175.34 1hkx s PHE 380 N -0.88 2.27 -0.03 0.00 2.99 -0.66 -1.11 117.98 120.56 1hkx s PHE 380 Ca -0.09 -1.11 -0.29 0.00 0.00 0.00 0.00 56.93 55.44 1hkx s PHE 380 Cb -0.03 -1.59 0.09 0.00 0.00 0.00 0.00 43.02 41.48 1hkx s PHE 380 CO 0.05 -0.54 0.75 -1.83 -0.00 0.00 0.00 175.22 173.66 1hkx s GLU 381 N 0.92 0.98 0.30 0.44 -1.05 -1.26 -0.57 118.70 118.46 1hkx s GLU 381 Ca -0.07 0.02 0.06 0.00 -0.15 0.00 0.00 54.97 54.84 1hkx s GLU 381 Cb -0.15 0.46 0.81 0.00 -0.44 0.00 0.00 34.13 34.81 1hkx s GLU 381 CO -0.02 -0.35 1.69 -1.35 0.95 0.00 0.00 175.26 176.18 1hkx h PRO 382 N 2.59 0.37 0.00 -4.83 0.11 -1.88 0.16 132.00 128.52 1hkx h PRO 382 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1hkx h PRO 382 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hkx h PRO 382 CO 0.36 0.24 0.00 0.93 -0.21 0.00 0.00 178.00 179.33 1hkx h GLU 383 N 0.38 0.00 -0.40 1.05 3.07 -1.91 -2.05 114.58 114.71 1hkx h GLU 383 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1hkx h GLU 383 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1hkx h GLU 383 CO -0.56 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.05 1hkx n ALA 384 N -1.99 2.44 -4.13 3.43 0.00 0.55 -4.97 120.51 115.84 1hkx n ALA 384 Ca -0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 1hkx n ALA 384 Cb 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 0.84 -1.73 0.00 0.00 4.77 -0.77 -1.08 117.00 119.02 1hkx n LEU 385 Ca 0.16 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1hkx n LEU 385 Cb 0.41 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.49 1hkx n LEU 385 CO 0.12 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1hkx n GLY 386 N -1.96 0.90 3.91 -0.72 0.00 -1.26 -5.04 105.19 101.02 1hkx n GLY 386 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.93 6.33 -0.30 1.61 0.01 -0.25 -5.06 114.94 114.35 1hkx s ASN 387 Ca 0.00 0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 52.22 1hkx s ASN 387 Cb 0.00 -1.96 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 1hkx s ASN 387 CO 0.00 0.22 0.78 -0.22 -1.51 0.00 0.00 177.10 176.37 1hkx s LEU 388 N -2.19 4.09 0.04 0.60 0.20 -1.26 -4.63 118.68 115.53 1hkx s LEU 388 Ca 0.30 0.69 -0.02 0.00 0.69 0.00 0.00 54.13 55.79 1hkx s LEU 388 Cb -0.13 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.52 1hkx s LEU 388 CO 0.23 -0.59 0.23 -0.69 -0.29 0.00 0.00 176.35 175.24 1hkx s VAL 389 N 2.92 5.37 0.16 1.68 1.01 -0.27 -4.91 120.40 126.35 1hkx s VAL 389 Ca 0.32 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.22 1hkx s VAL 389 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1hkx s VAL 389 CO 0.12 0.23 -0.19 -1.61 0.00 0.00 0.00 175.10 173.64 1hkx s GLU 390 N -2.22 1.71 0.14 2.72 2.02 -1.26 -0.78 118.70 121.03 1hkx s GLU 390 Ca 0.32 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1hkx s GLU 390 Cb -0.13 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1hkx s GLU 390 CO 0.23 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1hkx n GLY 391 N 0.44 -1.71 0.00 -1.39 0.00 0.01 -4.56 105.19 97.99 1hkx n GLY 391 Ca -0.14 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.51 0.82 -0.31 0.99 4.32 -1.26 -4.39 117.00 114.66 1hkx n LEU 392 Ca -0.00 -0.33 0.10 0.00 -0.02 0.00 0.00 56.01 55.75 1hkx n LEU 392 Cb 0.25 -0.06 0.27 0.00 -1.62 0.00 0.00 43.42 42.25 1hkx n LEU 392 CO 0.01 0.20 1.11 -0.78 -1.22 0.00 0.00 177.39 176.70 1hkx h ASP 393 N 0.00 0.55 0.41 -1.43 3.58 -1.96 -0.96 116.42 116.61 1hkx h ASP 393 Ca 0.00 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 1hkx h ASP 393 Cb 0.53 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1hkx h ASP 393 CO 0.00 0.18 -0.39 0.15 -2.88 0.00 0.00 179.24 176.31 1hkx h PHE 394 N 0.61 0.00 0.00 0.28 3.04 -1.81 -2.98 116.94 116.08 1hkx h PHE 394 Ca 0.51 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 62.28 1hkx h PHE 394 Cb 0.81 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 1hkx h PHE 394 CO -0.08 0.39 -1.06 0.45 -2.02 0.00 0.00 178.31 175.99 1hkx h HIS 395 N 0.00 0.00 -0.94 0.41 -0.00 -1.50 -3.31 115.15 109.82 1hkx h HIS 395 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.54 1hkx h HIS 395 Cb 0.70 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.00 1hkx h HIS 395 CO 0.00 0.78 0.53 -0.09 -0.00 0.00 0.00 177.93 179.15 1hkx h ARG 396 N 0.00 0.67 -0.44 2.45 2.43 -1.11 -2.18 114.38 116.20 1hkx h ARG 396 Ca -0.08 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1hkx h ARG 396 Cb 1.67 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.98 1hkx h ARG 396 CO 0.09 0.45 -0.53 0.35 -1.51 0.00 0.00 179.97 178.82 1hkx h PHE 397 N 0.69 -1.60 0.00 2.20 3.57 -1.66 0.18 116.94 120.33 1hkx h PHE 397 Ca 0.53 0.08 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1hkx h PHE 397 Cb 0.80 0.76 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1hkx h PHE 397 CO -0.05 -0.47 0.00 1.88 -2.23 0.00 0.00 178.31 177.44 1hkx h TYR 398 N -0.36 0.00 -0.02 0.41 -1.99 -1.63 -0.87 116.97 112.52 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 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1hkx h TYR 398 CO -0.72 0.00 -0.11 1.19 -0.00 0.00 0.00 178.16 178.53 1hkx n PHE 399 N -2.79 0.00 -0.03 4.88 3.72 0.55 -2.51 117.46 121.29 1hkx n PHE 399 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1hkx n PHE 399 Cb 0.12 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 1hkx n PHE 399 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1hkx n GLU 400 N 0.12 1.93 -0.01 -1.08 0.28 -0.40 -4.48 120.64 117.00 1hkx n GLU 400 Ca 0.16 0.02 -0.02 0.00 -0.16 0.00 0.00 57.16 57.16 1hkx n GLU 400 Cb 0.40 -1.15 -0.01 0.00 1.43 0.00 0.00 31.44 32.12 1hkx n GLU 400 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1hkx n ASN 401 N -2.41 0.34 0.00 -1.84 4.13 -0.79 -4.36 115.26 110.32 1hkx n ASN 401 Ca -0.11 0.06 0.01 0.00 1.68 0.00 0.00 54.58 56.21 1hkx n ASN 401 Cb 0.67 -0.52 0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1hkx n ASN 401 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1hkx n LEU 402 N -2.84 0.00 0.04 3.41 7.94 -1.20 -2.00 117.00 122.36 1hkx n LEU 402 Ca -0.02 0.21 0.21 0.00 -1.11 0.00 0.00 56.01 55.30 1hkx n LEU 402 Cb 0.09 -0.21 0.64 0.00 0.53 0.00 0.00 43.42 44.47 1hkx n LEU 402 CO 0.04 -0.20 1.19 -0.25 -1.11 0.00 0.00 177.39 177.05 1hkx h TRP 403 N 0.00 0.00 0.00 1.96 7.01 -1.69 0.53 115.95 123.76 1hkx h TRP 403 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1hkx h TRP 403 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1hkx h TRP 403 CO 0.00 0.00 0.00 -1.13 -2.79 0.00 0.00 178.44 174.52 1hkx n SER 404 N -3.44 0.39 -0.32 2.65 3.41 -0.84 -3.89 113.62 111.58 1hkx n SER 404 Ca 0.10 -0.54 0.21 0.00 -0.26 0.00 0.00 58.87 58.38 1hkx n SER 404 Cb 0.86 -0.14 0.42 0.00 -0.26 0.00 0.00 64.21 65.10 1hkx n SER 404 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1hkx h ARG 405 N 0.89 0.20 -5.08 4.33 9.65 -0.21 -3.30 114.38 120.87 1hkx h ARG 405 Ca 0.00 -0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 58.51 1hkx h ARG 405 Cb 0.17 -0.05 0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1hkx h ARG 405 CO 0.00 0.13 1.09 0.27 2.80 0.00 0.00 179.97 184.26 1hkx n ASN 406 N -5.18 2.12 0.00 -3.80 6.94 -1.25 -4.00 115.26 110.09 1hkx n ASN 406 Ca 0.29 -2.60 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 1hkx n ASN 406 Cb 0.93 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1hkx n ASN 406 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1hkx n SER 407 N 13.56 0.00 -3.62 0.53 7.64 -1.24 -5.11 113.62 125.37 1hkx n SER 407 Ca 0.45 -0.91 -0.04 0.00 1.01 0.00 0.00 58.87 59.39 1hkx n SER 407 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1hkx n SER 407 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1hkx s LYS 408 N 0.00 0.19 0.37 1.43 0.00 -1.26 -4.95 119.74 115.52 1hkx s LYS 408 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 55.97 55.66 1hkx s LYS 408 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 37.83 37.82 1hkx s LYS 408 CO 0.00 -0.08 1.35 -2.14 0.00 0.00 0.00 175.35 174.48 1hkx s PRO 409 N -1.82 4.17 -0.30 1.78 0.02 -1.26 -4.95 135.00 132.65 1hkx s PRO 409 Ca 0.09 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.38 1hkx s PRO 409 Cb -0.01 -2.95 0.13 0.00 0.02 0.00 0.00 34.50 31.69 1hkx s PRO 409 CO -0.05 -0.37 0.25 0.54 -0.33 0.00 0.00 177.00 177.04 1hkx s VAL 410 N -1.17 -0.26 -0.07 3.83 0.11 -1.26 -3.80 120.40 117.78 1hkx s VAL 410 Ca 0.52 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 1hkx s VAL 410 Cb -0.41 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 1hkx s VAL 410 CO 0.54 -0.59 0.41 -2.28 -3.33 0.00 0.00 175.10 169.84 1hkx s HIS 411 N 2.12 3.61 0.01 1.54 2.46 -0.62 -4.93 115.29 119.48 1hkx s HIS 411 Ca 0.10 0.88 0.07 0.00 0.47 0.00 0.00 55.06 56.59 1hkx s HIS 411 Cb -0.15 -2.38 -0.03 0.00 -0.13 0.00 0.00 32.58 29.89 1hkx s HIS 411 CO -0.30 0.42 -0.21 0.99 -2.47 0.00 0.00 174.74 173.17 1hkx s THR 412 N -0.24 2.55 -0.03 0.89 2.01 -1.26 -0.90 115.64 118.66 1hkx s THR 412 Ca 0.23 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1hkx s THR 412 Cb -0.15 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1hkx s THR 412 CO 0.10 0.45 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.46 1hkx s THR 413 N -0.79 1.11 -0.32 -0.82 2.01 -0.04 -5.00 115.64 111.80 1hkx s THR 413 Ca 0.12 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1hkx s THR 413 Cb -0.10 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1hkx s THR 413 CO 0.02 0.33 0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 1hkx s ILE 414 N 0.01 4.07 0.03 1.82 1.01 -1.26 -1.30 121.20 125.58 1hkx s ILE 414 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1hkx s ILE 414 Cb -0.09 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1hkx s ILE 414 CO 0.01 -0.01 0.03 -0.76 0.00 0.00 0.00 174.94 174.21 1hkx s LEU 415 N 1.50 3.64 -1.48 2.97 1.43 -0.11 -4.70 118.68 121.94 1hkx s LEU 415 Ca 0.02 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1hkx s LEU 415 Cb -0.18 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1hkx s LEU 415 CO 0.03 0.23 0.33 -3.20 0.23 0.00 0.00 176.35 173.98 1hkx n ASN 416 N 0.98 -0.20 -4.74 2.29 5.15 -1.26 -1.87 115.26 115.61 1hkx n ASN 416 Ca -0.12 -1.09 -0.38 0.00 -0.60 0.00 0.00 54.58 52.39 1hkx n ASN 416 Cb 0.52 -2.60 0.05 0.00 -0.53 0.00 0.00 39.78 37.22 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1hkx s PRO 417 N -6.83 2.97 -0.10 1.20 0.02 -1.26 -4.69 135.00 126.32 1hkx s PRO 417 Ca 0.07 2.17 -0.04 0.00 0.02 0.00 0.00 61.00 63.22 1hkx s PRO 417 Cb -0.04 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.41 1hkx s PRO 417 CO 0.92 -1.31 0.17 -1.01 -0.33 0.00 0.00 177.00 175.45 1hkx s HIS 418 N -1.34 -0.19 0.02 6.54 3.76 -0.62 -5.00 115.29 118.46 1hkx s HIS 418 Ca 0.75 0.59 0.03 0.00 -0.15 0.00 0.00 55.06 56.27 1hkx s HIS 418 Cb -0.39 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 1hkx s HIS 418 CO 0.45 -0.30 -0.02 0.42 -0.85 0.00 0.00 174.74 174.43 1hkx s ILE 419 N 2.30 3.97 -0.16 0.60 1.09 -1.26 -1.44 121.20 126.30 1hkx s ILE 419 Ca 0.03 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1hkx s ILE 419 Cb -0.12 -2.78 0.03 0.00 -1.06 0.00 0.00 42.46 38.53 1hkx s ILE 419 CO -0.06 0.34 -0.12 -1.00 -0.10 0.00 0.00 174.94 173.99 1hkx s HIS 420 N -1.10 2.18 -0.04 3.97 3.76 0.74 -4.99 115.29 119.82 1hkx s HIS 420 Ca 0.20 -1.30 -0.17 0.00 -0.15 0.00 0.00 55.06 53.63 1hkx s HIS 420 Cb -0.11 -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 0.47 -0.51 -0.85 0.00 0.00 174.74 173.27 1hkx s LEU 421 N 1.48 4.40 -0.37 0.89 1.43 -1.26 -1.06 118.68 124.19 1hkx s LEU 421 Ca 0.03 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1hkx s LEU 421 Cb -0.14 -2.69 0.14 0.00 0.03 0.00 0.00 46.19 43.53 1hkx s LEU 421 CO -0.10 0.17 0.22 -0.04 0.23 0.00 0.00 176.35 176.84 1hkx s MET 422 N -0.33 0.69 0.00 1.70 -1.94 0.77 -5.00 119.30 115.19 1hkx s MET 422 Ca 0.26 -1.48 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 1hkx s MET 422 Cb -0.16 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.21 1hkx s MET 422 CO 0.13 -1.21 0.00 0.41 -0.01 0.00 0.00 175.02 174.34 1hkx n GLY 423 N 3.89 -1.30 0.01 -0.03 0.00 -1.26 -2.99 105.19 103.51 1hkx n GLY 423 Ca 0.13 -1.56 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 -1.25 0.39 -0.32 1.61 8.00 -1.26 -3.90 116.55 119.83 1hkx n ASP 424 Ca 0.00 0.07 0.03 0.00 0.71 0.00 0.00 54.79 55.60 1hkx n ASP 424 Cb 0.00 -0.04 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.62 1.82 -3.86 -1.24 -0.58 -1.26 -4.82 120.64 109.07 1hkx n GLU 425 Ca 0.06 -1.47 -0.20 0.00 -0.42 0.00 0.00 57.16 55.13 1hkx n GLU 425 Cb 0.36 -1.14 -0.17 0.00 -0.57 0.00 0.00 31.44 29.92 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 -0.83 0.98 0.08 1.62 0.15 -1.16 0.22 113.70 114.76 1hkx s SER 426 Ca 0.11 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1hkx s SER 426 Cb 0.06 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 1hkx s SER 426 CO 0.09 -0.15 -0.05 0.00 1.20 0.00 0.00 173.24 174.32 1hkx s ALA 427 N 1.52 0.80 -0.03 5.45 0.00 0.72 -0.16 121.76 130.05 1hkx s ALA 427 Ca -0.03 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1hkx s ALA 427 Cb -0.13 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1hkx s ALA 427 CO -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 175.76 175.50 1hkx s ILE 429 N 1.49 1.45 -0.06 0.00 2.07 -0.40 -0.19 121.20 125.57 1hkx s ILE 429 Ca -0.04 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 1hkx s ILE 429 Cb -0.13 -1.24 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1hkx s ILE 429 CO -0.03 0.42 -0.14 0.00 -1.91 0.00 0.00 174.94 173.28 1hkx s ALA 430 N 0.04 1.37 0.21 1.50 0.00 -0.52 -0.56 121.76 123.80 1hkx s ALA 430 Ca -0.04 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 1hkx s ALA 430 Cb -0.12 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1hkx s ALA 430 CO 0.02 0.18 0.55 1.52 0.00 0.00 0.00 175.76 178.03 1hkx s TYR 431 N 0.42 -0.11 -0.14 0.00 -0.85 -0.55 -1.58 117.35 114.54 1hkx s TYR 431 Ca -0.11 -0.25 -0.16 0.00 -0.52 0.00 0.00 57.07 56.04 1hkx s TYR 431 Cb -0.14 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1hkx s TYR 431 CO 0.03 -0.96 0.37 0.42 -1.52 0.00 0.00 175.55 173.89 1hkx s ILE 432 N -3.89 5.25 -0.30 -3.49 -1.09 -0.78 -1.06 121.20 115.84 1hkx s ILE 432 Ca 0.10 0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 59.16 1hkx s ILE 432 Cb -0.02 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1hkx s ILE 432 CO -0.01 0.37 0.10 -0.60 -1.23 0.00 0.00 174.94 173.56 1hkx s ARG 433 N 0.49 3.07 -0.18 2.79 3.52 0.12 -0.93 118.95 127.83 1hkx s ARG 433 Ca 0.20 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1hkx s ARG 433 Cb -0.14 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1hkx s ARG 433 CO 0.07 -0.47 -0.01 0.42 -0.81 0.00 0.00 175.30 174.50 1hkx s ILE 434 N 1.51 4.04 -0.13 4.11 1.01 -0.42 -1.67 121.20 129.64 1hkx s ILE 434 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1hkx s ILE 434 Cb -0.17 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1hkx s ILE 434 CO 0.03 0.46 -0.20 -0.89 0.00 0.00 0.00 174.94 174.35 1hkx s THR 435 N 0.61 2.34 -0.26 2.92 2.01 -0.15 -0.86 115.64 122.24 1hkx s THR 435 Ca -0.01 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 1hkx s THR 435 Cb -0.14 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1hkx s THR 435 CO 0.02 0.54 0.07 -1.10 -0.69 0.00 0.00 174.62 173.47 1hkx s GLN 436 N 0.65 3.48 0.18 4.92 -0.21 -0.08 -0.95 119.66 127.65 1hkx s GLN 436 Ca -0.10 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.69 1hkx s GLN 436 Cb -0.16 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 1hkx s GLN 436 CO 0.02 -0.27 0.07 1.52 -2.12 0.00 0.00 175.29 174.51 1hkx s TYR 437 N 1.58 1.16 0.00 0.91 -0.85 -0.86 -1.58 117.35 117.71 1hkx s TYR 437 Ca 0.05 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.40 1hkx s TYR 437 Cb -0.16 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.54 1hkx s TYR 437 CO 0.03 -0.43 0.00 1.28 -1.52 0.00 0.00 175.55 174.91 1hkx n LEU 438 N -0.25 0.00 0.00 -3.49 4.77 -1.25 -1.10 117.00 115.68 1hkx n LEU 438 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.33 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.49 1hkx n ASP 439 N 0.00 -0.11 -3.21 -1.43 5.75 -1.26 -4.48 116.55 111.81 1hkx n ASP 439 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1hkx n ASP 439 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hkx n ALA 440 N 0.14 -2.36 -0.86 2.12 0.00 -1.26 -2.18 120.51 116.11 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 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 0.60 1.15 3.31 0.00 0.00 -1.26 -3.97 105.19 105.03 1hkx n GLY 441 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 -0.93 2.92 -0.02 0.00 -0.93 -5.04 105.19 99.20 1hkx n GLY 442 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.38 0.10 0.09 -0.61 1.01 -1.16 -4.87 121.20 112.38 1hkx s ILE 443 Ca 0.32 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 1hkx s ILE 443 Cb -0.04 -0.15 -0.09 0.00 0.01 0.00 0.00 42.46 42.19 1hkx s ILE 443 CO 0.74 -0.17 1.67 -2.84 0.00 0.00 0.00 174.94 174.34 1hkx s PRO 444 N -0.57 4.19 0.11 2.79 0.02 -1.26 -4.37 135.00 135.90 1hkx s PRO 444 Ca -0.06 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.36 1hkx s PRO 444 Cb -0.04 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 1hkx s PRO 444 CO -0.00 -0.74 -0.08 1.03 -0.33 0.00 0.00 177.00 176.89 1hkx s ARG 445 N 2.48 0.87 -0.05 5.54 0.52 -0.26 -5.02 118.95 123.03 1hkx s ARG 445 Ca 0.74 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1hkx s ARG 445 Cb -0.41 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 1hkx s ARG 445 CO 0.33 0.01 -0.18 0.99 0.02 0.00 0.00 175.30 176.47 1hkx s THR 446 N -3.41 1.52 0.03 0.02 2.01 -1.26 -2.04 115.64 112.50 1hkx s THR 446 Ca 0.12 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.44 1hkx s THR 446 Cb 0.04 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1hkx s THR 446 CO -0.03 0.43 -0.25 0.00 -0.69 0.00 0.00 174.62 174.08 1hkx s ALA 447 N 0.06 2.15 0.06 7.40 0.00 -0.13 -4.97 121.76 126.33 1hkx s ALA 447 Ca -0.05 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1hkx s ALA 447 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1hkx s ALA 447 CO 0.03 0.51 -0.23 -1.14 0.00 0.00 0.00 175.76 174.93 1hkx s GLN 448 N -1.05 1.46 -0.15 0.00 0.74 -1.26 -0.98 119.66 118.41 1hkx s GLN 448 Ca 0.11 -1.04 -0.20 0.00 0.05 0.00 0.00 55.36 54.27 1hkx s GLN 448 Cb -0.10 -1.64 0.05 0.00 1.10 0.00 0.00 33.01 32.43 1hkx s GLN 448 CO 0.01 0.41 0.53 -1.54 -0.55 0.00 0.00 175.29 174.16 1hkx s SER 449 N -1.35 -0.53 -0.12 6.67 1.04 -0.67 -4.52 113.70 114.22 1hkx s SER 449 Ca 0.09 0.87 -0.17 0.00 0.48 0.00 0.00 55.95 57.22 1hkx s SER 449 Cb -0.09 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1hkx s SER 449 CO 0.02 -0.30 0.43 -1.61 0.98 0.00 0.00 173.24 172.76 1hkx s GLU 450 N -0.22 4.31 0.02 4.02 8.01 0.33 0.11 118.70 135.27 1hkx s GLU 450 Ca -0.04 0.37 0.05 0.00 0.01 0.00 0.00 54.97 55.36 1hkx s GLU 450 Cb -0.03 -3.43 -0.02 0.00 -4.31 0.00 0.00 34.13 26.34 1hkx s GLU 450 CO 0.03 0.19 -0.14 -1.21 0.01 0.00 0.00 175.26 174.14 1hkx s GLU 451 N 0.54 1.04 -0.09 1.61 2.02 -0.22 -0.21 118.70 123.38 1hkx s GLU 451 Ca 0.24 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1hkx s GLU 451 Cb -0.15 -1.04 0.01 0.00 0.10 0.00 0.00 34.13 33.05 1hkx s GLU 451 CO 0.09 0.27 -0.18 0.99 0.02 0.00 0.00 175.26 176.45 1hkx s THR 452 N -0.60 1.59 -0.10 3.63 2.01 -0.23 -1.48 115.64 120.46 1hkx s THR 452 Ca 0.04 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1hkx s THR 452 Cb -0.07 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.05 1hkx s THR 452 CO 0.00 0.46 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.10 1hkx s ARG 453 N 0.57 2.23 -0.25 4.92 1.81 0.27 -1.10 118.95 127.39 1hkx s ARG 453 Ca -0.15 -0.57 -0.08 0.00 -1.72 0.00 0.00 55.73 53.21 1hkx s ARG 453 Cb -0.17 -1.85 -0.03 0.00 -0.45 0.00 0.00 34.95 32.45 1hkx s ARG 453 CO 0.05 -0.02 0.08 0.08 -0.68 0.00 0.00 175.30 174.81 1hkx s VAL 454 N 0.85 4.37 -0.10 3.52 1.01 0.85 -1.27 120.40 129.63 1hkx s VAL 454 Ca -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1hkx s VAL 454 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1hkx s VAL 454 CO 0.01 0.33 0.06 0.26 0.00 0.00 0.00 175.10 175.75 1hkx s TRP 455 N 1.62 3.34 -0.06 5.22 0.52 0.23 -0.69 118.94 129.11 1hkx s TRP 455 Ca 0.06 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.51 1hkx s TRP 455 Cb -0.15 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1hkx s TRP 455 CO 0.04 0.57 -0.06 -1.58 0.02 0.00 0.00 176.95 175.94 1hkx s HIS 456 N -0.91 0.98 -0.33 -1.98 2.46 0.21 -0.20 115.29 115.53 1hkx s HIS 456 Ca 0.14 -0.33 -0.29 0.00 0.47 0.00 0.00 55.06 55.05 1hkx s HIS 456 Cb -0.12 -0.83 0.02 0.00 -0.13 0.00 0.00 32.58 31.52 1hkx s HIS 456 CO 0.03 -0.26 1.07 0.50 -2.47 0.00 0.00 174.74 173.61 1hkx s ARG 457 N 1.04 4.04 -0.13 2.88 6.06 0.60 -0.87 118.95 132.57 1hkx s ARG 457 Ca -0.09 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.18 1hkx s ARG 457 Cb -0.14 -3.75 0.02 0.00 0.06 0.00 0.00 34.95 31.14 1hkx s ARG 457 CO -0.00 -0.92 -0.13 0.50 -2.50 0.00 0.00 175.30 172.25 1hkx s ARG 458 N 3.67 2.09 -1.53 5.12 3.52 -0.53 -4.82 118.95 126.46 1hkx s ARG 458 Ca 0.45 -0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 55.51 1hkx s ARG 458 Cb -0.12 -1.92 0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1hkx s ARG 458 CO 0.16 -0.20 0.46 -0.25 -0.81 0.00 0.00 175.30 174.66 1hkx n ASP 459 N 4.67 -1.00 0.00 -2.12 8.00 -1.26 -2.44 116.55 122.40 1hkx n ASP 459 Ca -0.16 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1hkx n ASP 459 Cb 0.50 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 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 -1.89 2.93 3.87 0.44 0.00 -1.26 -5.04 105.19 104.24 1hkx n GLY 460 Ca -0.19 -0.77 -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 3.30 0.21 1.61 -2.85 -1.02 -5.06 119.74 115.92 1hkx s LYS 461 Ca 0.00 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 1hkx s LYS 461 Cb 0.00 -2.98 -0.08 0.00 -2.06 0.00 0.00 37.83 32.71 1hkx s LYS 461 CO 0.00 0.63 1.05 -1.58 0.10 0.00 0.00 175.35 175.54 1hkx s TRP 462 N -1.39 3.71 0.02 1.78 0.52 -1.26 -1.45 118.94 120.86 1hkx s TRP 462 Ca 0.30 1.72 0.04 0.00 0.02 0.00 0.00 56.10 58.18 1hkx s TRP 462 Cb -0.13 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1hkx s TRP 462 CO 0.22 -0.25 -0.11 -0.65 0.02 0.00 0.00 176.95 176.19 1hkx s GLN 463 N -0.77 0.77 -0.02 4.98 -0.21 -0.05 -4.81 119.66 119.54 1hkx s GLN 463 Ca 0.46 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 1hkx s GLN 463 Cb -0.28 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 1hkx s GLN 463 CO 0.35 0.18 1.01 0.42 -2.12 0.00 0.00 175.29 175.14 1hkx s ILE 464 N -0.71 4.75 -0.06 1.08 1.01 0.12 -0.62 121.20 126.78 1hkx s ILE 464 Ca 0.00 1.98 0.17 0.00 0.00 0.00 0.00 60.65 62.80 1hkx s ILE 464 Cb -0.07 -4.27 -0.25 0.00 0.01 0.00 0.00 42.46 37.88 1hkx s ILE 464 CO 0.01 0.11 0.30 0.55 0.00 0.00 0.00 174.94 175.91 1hkx n VAL 465 N 4.08 0.27 -3.59 2.92 3.14 0.13 -0.82 118.33 124.46 1hkx n VAL 465 Ca 0.07 -0.47 -0.12 0.00 -2.96 0.00 0.00 64.34 60.87 1hkx n VAL 465 Cb 0.50 -0.06 -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 -3.01 -0.49 -0.01 1.45 5.65 -1.23 -1.63 115.29 116.03 1hkx s HIS 466 Ca -0.07 1.00 -0.11 0.00 0.25 0.00 0.00 55.06 56.14 1hkx s HIS 466 Cb 0.10 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.91 1hkx s HIS 466 CO 0.71 -0.35 0.21 -0.59 -0.65 0.00 0.00 174.74 174.07 1hkx s PHE 467 N -0.56 -0.06 -0.11 3.88 -0.12 -0.69 -0.11 117.98 120.21 1hkx s PHE 467 Ca -0.02 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.90 1hkx s PHE 467 Cb -0.02 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.41 1hkx s PHE 467 CO 0.00 -0.33 -0.03 -1.58 -0.05 0.00 0.00 175.22 173.24 1hkx s HIS 468 N -1.34 1.10 -0.11 3.49 2.46 -0.26 -1.65 115.29 118.97 1hkx s HIS 468 Ca -0.14 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 54.86 1hkx s HIS 468 Cb -0.07 -1.03 -0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1hkx s HIS 468 CO 0.03 -0.45 -0.11 0.50 -2.47 0.00 0.00 174.74 172.23 1hkx s ARG 469 N 1.83 3.20 -0.06 2.88 3.52 0.27 -1.07 118.95 129.52 1hkx s ARG 469 Ca 0.04 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1hkx s ARG 469 Cb -0.13 -2.62 -0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1hkx s ARG 469 CO -0.07 0.34 -0.23 -1.12 -0.81 0.00 0.00 175.30 173.41 1hkx s SER 470 N 0.04 2.82 0.00 -2.12 0.01 0.70 -4.22 113.70 110.93 1hkx s SER 470 Ca -0.04 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1hkx s SER 470 Cb -0.14 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1hkx s SER 470 CO 0.04 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1hkx n GLY 471 N 3.17 0.68 0.00 3.44 0.00 -1.26 -0.51 105.19 110.71 1hkx n GLY 471 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.92 0.00 -1.39 4.61 0.00 -1.26 -4.96 120.51 116.59 1hkx n ALA 472 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1hkx n ALA 472 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1hkx n ALA 472 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1hkx s PRO 473 N -0.39 1.08 0.68 0.00 0.02 -1.26 -4.88 135.00 130.25 1hkx s PRO 473 Ca 0.00 0.47 0.03 0.00 0.02 0.00 0.00 61.00 61.52 1hkx s PRO 473 Cb 0.00 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.82 1hkx s PRO 473 CO 0.00 -2.28 0.93 0.45 -0.33 0.00 0.00 177.00 175.77 1hkx s SER 474 N -3.76 4.56 0.00 2.53 0.15 -1.26 -4.82 113.70 111.10 1hkx s SER 474 Ca 0.64 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1hkx s SER 474 Cb -0.16 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1hkx s SER 474 CO 0.55 -1.72 0.00 1.33 1.20 0.00 0.00 173.24 174.60