#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhq s ASP 434 N 0.00 6.72 -0.23 6.43 1.01 0.12 -1.00 116.67 129.73 1bhq s ASP 434 Ca 0.00 -2.38 -0.15 0.00 0.71 0.00 0.00 52.55 50.73 1bhq s ASP 434 Cb 0.00 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1bhq s ASP 434 CO 0.00 -0.84 0.36 -0.63 0.21 0.00 0.00 175.17 174.27 1bhq s ILE 435 N 1.56 5.21 0.01 0.77 1.01 -1.15 0.11 121.20 128.72 1bhq s ILE 435 Ca 0.28 0.58 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1bhq s ILE 435 Cb -0.07 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1bhq s ILE 435 CO -0.09 0.23 -0.06 0.00 0.00 0.00 0.00 174.94 175.03 1bhq s ALA 436 N 1.53 0.47 -0.12 9.38 0.00 0.16 -3.06 121.76 130.13 1bhq s ALA 436 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1bhq s ALA 436 Cb -0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1bhq s ALA 436 CO 0.08 0.08 -0.05 -0.06 0.00 0.00 0.00 175.76 175.81 1bhq s PHE 437 N -0.39 2.98 -0.30 0.00 0.40 -0.74 -1.71 117.98 118.23 1bhq s PHE 437 Ca -0.00 -0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 1bhq s PHE 437 Cb -0.04 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1bhq s PHE 437 CO -0.00 0.12 0.03 -1.17 0.70 0.00 0.00 175.22 174.90 1bhq s LEU 438 N -0.16 3.92 -0.15 -0.37 2.96 0.34 -3.46 118.68 121.75 1bhq s LEU 438 Ca 0.02 -1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 52.82 1bhq s LEU 438 Cb -0.13 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1bhq s LEU 438 CO 0.03 -0.25 -0.11 0.27 -1.32 0.00 0.00 176.35 174.96 1bhq s ILE 439 N 1.34 3.10 -0.39 6.68 -4.36 -1.05 0.02 121.20 126.54 1bhq s ILE 439 Ca -0.02 -0.63 -0.29 0.00 -0.26 0.00 0.00 60.65 59.45 1bhq s ILE 439 Cb -0.19 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1bhq s ILE 439 CO 0.00 0.50 1.52 -0.62 0.24 0.00 0.00 174.94 176.58 1bhq s ASP 440 N 0.66 6.21 -0.59 4.36 -1.08 -0.57 -0.97 116.67 124.70 1bhq s ASP 440 Ca -0.06 0.95 0.01 0.00 -0.52 0.00 0.00 52.55 52.92 1bhq s ASP 440 Cb -0.15 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.21 1bhq s ASP 440 CO 0.02 -1.51 1.78 0.61 0.52 0.00 0.00 175.17 176.59 1bhq n GLY 441 N 5.18 5.97 3.78 2.66 0.00 -0.48 -4.91 105.19 117.39 1bhq n GLY 441 Ca 0.18 -2.45 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1bhq n GLY 441 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bhq s SER 442 N -2.27 6.14 -0.06 1.61 1.04 -1.26 -0.73 113.70 118.17 1bhq s SER 442 Ca 0.59 2.20 0.01 0.00 0.48 0.00 0.00 55.95 59.22 1bhq s SER 442 Cb 0.47 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 64.09 1bhq s SER 442 CO -0.06 -0.93 1.09 0.61 0.98 0.00 0.00 173.24 174.93 1bhq n GLY 443 N 0.28 2.29 0.08 7.32 0.00 0.11 -2.42 105.19 112.85 1bhq n GLY 443 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1bhq n GLY 443 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bhq n SER 444 N 0.27 0.76 -4.27 1.61 3.41 -1.26 -4.84 113.62 109.30 1bhq n SER 444 Ca 0.08 -0.88 -0.44 0.00 -0.26 0.00 0.00 58.87 57.37 1bhq n SER 444 Cb 0.64 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.37 1bhq n SER 444 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1bhq s ILE 445 N -1.89 4.82 0.15 -1.33 1.01 -1.01 -5.06 121.20 117.88 1bhq s ILE 445 Ca 0.06 -1.80 -0.33 0.00 0.00 0.00 0.00 60.65 58.57 1bhq s ILE 445 Cb 0.09 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 38.32 1bhq s ILE 445 CO 0.41 -0.86 1.63 2.30 0.00 0.00 0.00 174.94 178.42 1bhq n ILE 446 N 4.87 0.06 0.00 2.92 -5.35 -1.26 -4.60 119.36 116.01 1bhq n ILE 446 Ca -0.07 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1bhq n ILE 446 Cb 0.41 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.66 1bhq n ILE 446 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1bhq n PRO 447 N 3.84 0.00 0.08 6.28 -0.01 -1.26 0.15 135.00 144.09 1bhq n PRO 447 Ca 0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 63.50 63.45 1bhq n PRO 447 Cb 0.30 0.00 -0.13 0.00 -0.01 0.00 0.00 33.50 33.67 1bhq n PRO 447 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 175.50 176.61 1bhq h HIS 448 N 0.00 0.99 -0.07 6.00 2.07 -1.97 -0.11 115.15 122.06 1bhq h HIS 448 Ca 0.00 -0.61 -0.05 0.00 -2.85 0.00 0.00 60.37 56.87 1bhq h HIS 448 Cb 0.00 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 29.89 1bhq h HIS 448 CO 0.00 1.45 -0.18 -0.44 -3.07 0.00 0.00 177.93 175.69 1bhq h ASP 449 N 0.26 0.11 1.56 3.10 5.19 0.11 1.09 116.42 127.83 1bhq h ASP 449 Ca -0.17 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.13 1bhq h ASP 449 Cb 1.84 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.31 1bhq h ASP 449 CO 0.22 0.30 -0.44 0.15 -3.12 0.00 0.00 179.24 176.35 1bhq h PHE 450 N 0.11 0.00 -0.11 4.55 3.04 -1.37 0.11 116.94 123.27 1bhq h PHE 450 Ca 0.02 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1bhq h PHE 450 Cb 0.38 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 1bhq h PHE 450 CO 0.00 0.42 -0.08 -0.09 -2.02 0.00 0.00 178.31 176.54 1bhq h ARG 451 N 0.00 0.25 0.44 1.11 9.65 0.13 -2.74 114.38 123.23 1bhq h ARG 451 Ca -0.01 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 1bhq h ARG 451 Cb 1.32 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 1bhq h ARG 451 CO 0.05 0.63 -0.21 0.00 2.80 0.00 0.00 179.97 183.24 1bhq h ARG 452 N -0.12 -0.57 -0.65 0.20 3.08 0.13 -2.94 114.38 113.51 1bhq h ARG 452 Ca 0.02 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.20 1bhq h ARG 452 Cb 0.57 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.65 1bhq h ARG 452 CO 0.02 -0.38 -0.28 -0.12 -1.07 0.00 0.00 179.97 178.14 1bhq n MET 453 N -3.75 -0.18 0.22 0.04 1.56 0.37 0.13 117.12 115.51 1bhq n MET 453 Ca -0.07 0.99 0.17 0.00 -0.27 0.00 0.00 57.70 58.52 1bhq n MET 453 Cb 0.23 -1.47 0.85 0.00 2.15 0.00 0.00 33.22 34.98 1bhq n MET 453 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1bhq h LYS 454 N 0.00 0.00 0.00 2.12 3.64 -1.33 0.25 116.57 121.25 1bhq h LYS 454 Ca 0.20 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.36 1bhq h LYS 454 Cb 0.36 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1bhq h LYS 454 CO -0.64 0.00 -1.08 1.49 -2.27 0.00 0.00 179.45 176.95 1bhq h GLU 455 N 0.00 0.00 0.40 1.90 4.57 0.13 -3.19 114.58 118.39 1bhq h GLU 455 Ca 0.07 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1bhq h GLU 455 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1bhq h GLU 455 CO -0.00 0.91 -0.31 0.35 -1.18 0.00 0.00 179.01 178.77 1bhq h PHE 456 N 0.00 -0.83 -0.22 0.92 3.57 -0.17 -2.82 116.94 117.39 1bhq h PHE 456 Ca -0.05 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1bhq h PHE 456 Cb 1.79 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.80 1bhq h PHE 456 CO 0.00 -0.46 -0.04 0.28 -2.23 0.00 0.00 178.31 175.86 1bhq h VAL 457 N -0.71 0.80 -1.00 1.41 2.07 -1.55 -2.16 116.25 115.10 1bhq h VAL 457 Ca -0.04 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1bhq h VAL 457 Cb 0.61 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1bhq h VAL 457 CO -0.00 0.00 0.63 0.28 0.02 0.00 0.00 177.57 178.50 1bhq h SER 458 N 0.02 0.92 0.13 0.57 0.02 -1.53 -2.27 113.55 111.41 1bhq h SER 458 Ca 0.11 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1bhq h SER 458 Cb 0.15 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1bhq h SER 458 CO -0.21 0.49 -0.06 0.74 -1.14 0.00 0.00 176.83 176.64 1bhq h THR 459 N 0.98 1.04 -0.56 -2.27 2.02 -1.19 -2.58 112.91 110.35 1bhq h THR 459 Ca 0.49 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1bhq h THR 459 Cb 0.49 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1bhq h THR 459 CO -0.26 0.21 0.31 0.58 0.37 0.00 0.00 175.52 176.73 1bhq h VAL 460 N -0.62 1.17 -0.51 3.16 2.07 -1.29 0.17 116.25 120.41 1bhq h VAL 460 Ca -0.02 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 1bhq h VAL 460 Cb 0.47 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1bhq h VAL 460 CO 0.03 0.19 -0.16 0.24 0.02 0.00 0.00 177.57 177.89 1bhq h MET 461 N 0.78 1.00 -0.46 1.57 2.86 -1.45 0.39 114.93 119.62 1bhq h MET 461 Ca 0.20 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1bhq h MET 461 Cb 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1bhq h MET 461 CO -0.03 1.08 -0.01 0.93 1.06 0.00 0.00 176.91 179.93 1bhq h GLU 462 N 0.86 0.77 -0.09 1.72 5.08 -1.01 -1.22 114.58 120.69 1bhq h GLU 462 Ca 0.12 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1bhq h GLU 462 Cb 0.73 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1bhq h GLU 462 CO 0.06 0.79 -0.62 1.96 -1.00 0.00 0.00 179.01 180.20 1bhq h GLN 463 N 0.72 0.33 -0.07 2.33 4.20 -0.26 -3.23 115.11 119.13 1bhq h GLN 463 Ca 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bhq h GLN 463 Cb 0.46 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1bhq h GLN 463 CO 0.02 0.85 0.00 1.28 -0.67 0.00 0.00 178.83 180.31 1bhq n LEU 464 N -3.88 2.91 -4.56 1.46 4.77 0.13 -4.95 117.00 112.89 1bhq n LEU 464 Ca -0.03 -1.06 -0.24 0.00 -0.03 0.00 0.00 56.01 54.65 1bhq n LEU 464 Cb 0.63 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1bhq n LEU 464 CO 0.46 0.51 1.41 -0.75 -1.33 0.00 0.00 177.39 177.69 1bhq s LYS 465 N -1.80 2.12 0.00 3.23 2.20 -0.47 -4.93 119.74 120.09 1bhq s LYS 465 Ca 0.27 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1bhq s LYS 465 Cb 0.19 -4.81 0.00 0.00 -1.51 0.00 0.00 37.83 31.70 1bhq s LYS 465 CO 0.28 -3.73 0.00 1.63 -0.36 0.00 0.00 175.35 173.17 1bhq n LYS 466 N 8.90 0.00 0.00 4.03 5.02 -1.26 -4.99 118.16 129.86 1bhq n LYS 466 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1bhq n LYS 466 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1bhq n LYS 466 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bhq n SER 467 N 0.00 3.47 -0.91 4.39 3.41 -1.26 -4.65 113.62 118.08 1bhq n SER 467 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1bhq n SER 467 Cb 0.00 0.01 0.27 0.00 -0.26 0.00 0.00 64.21 64.23 1bhq n SER 467 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bhq n LYS 468 N -2.36 2.19 -2.60 4.33 5.02 -1.26 -4.92 118.16 118.56 1bhq n LYS 468 Ca 0.00 -1.79 -0.41 0.00 -2.02 0.00 0.00 58.31 54.09 1bhq n LYS 468 Cb 0.43 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1bhq n LYS 468 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bhq s THR 469 N -1.61 4.19 0.29 -0.18 2.01 -1.26 -3.97 115.64 115.11 1bhq s THR 469 Ca 0.36 1.79 0.09 0.00 0.31 0.00 0.00 61.69 64.24 1bhq s THR 469 Cb 0.20 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1bhq s THR 469 CO 0.29 0.26 0.04 -0.76 -0.69 0.00 0.00 174.62 173.76 1bhq s LEU 470 N 0.05 3.19 0.05 4.42 1.43 -0.17 -4.82 118.68 122.83 1bhq s LEU 470 Ca 0.50 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1bhq s LEU 470 Cb -0.27 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1bhq s LEU 470 CO 0.32 -0.10 -0.05 -0.36 0.23 0.00 0.00 176.35 176.38 1bhq s PHE 471 N -2.37 0.57 -0.22 0.29 0.08 -1.25 -2.94 117.98 112.13 1bhq s PHE 471 Ca 0.33 -0.68 -0.19 0.00 0.12 0.00 0.00 56.93 56.51 1bhq s PHE 471 Cb -0.05 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 42.10 1bhq s PHE 471 CO 0.21 -0.18 0.58 0.45 -0.10 0.00 0.00 175.22 176.18 1bhq s SER 472 N -2.04 -0.63 0.02 1.36 0.15 -1.17 -1.49 113.70 109.89 1bhq s SER 472 Ca -0.05 1.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.78 1bhq s SER 472 Cb -0.04 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.44 1bhq s SER 472 CO -0.03 -0.21 -0.01 -0.22 1.20 0.00 0.00 173.24 173.98 1bhq s LEU 473 N 0.49 2.14 -0.07 3.45 2.96 0.22 -1.79 118.68 126.08 1bhq s LEU 473 Ca -0.01 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 1bhq s LEU 473 Cb -0.04 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.84 1bhq s LEU 473 CO -0.02 -0.28 0.39 0.00 -1.32 0.00 0.00 176.35 175.12 1bhq s MET 474 N -1.33 0.64 -0.02 1.98 0.23 -1.22 -1.69 119.30 117.89 1bhq s MET 474 Ca -0.14 0.13 0.01 0.00 -1.03 0.00 0.00 55.69 54.66 1bhq s MET 474 Cb -0.09 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1bhq s MET 474 CO -0.01 -0.15 -0.02 -1.14 -2.03 0.00 0.00 175.02 171.67 1bhq s GLN 475 N -0.76 2.77 0.06 3.16 0.74 0.30 -2.53 119.66 123.41 1bhq s GLN 475 Ca -0.08 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1bhq s GLN 475 Cb -0.04 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 1bhq s GLN 475 CO 0.04 0.64 -0.06 1.52 -0.55 0.00 0.00 175.29 176.87 1bhq s TYR 476 N -1.01 0.70 0.00 1.67 1.13 -0.14 -1.31 117.35 118.40 1bhq s TYR 476 Ca 0.17 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 1bhq s TYR 476 Cb -0.11 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 1bhq s TYR 476 CO 0.07 -0.16 0.00 -1.13 -2.51 0.00 0.00 175.55 171.82 1bhq n SER 477 N 0.67 0.00 0.00 -0.18 3.41 -1.26 -1.39 113.62 114.88 1bhq n SER 477 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1bhq n SER 477 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1bhq n SER 477 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1bhq n GLU 478 N 0.00 2.85 -4.28 4.33 0.28 -1.17 -0.54 120.64 122.11 1bhq n GLU 478 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1bhq n GLU 478 Cb 0.00 -0.68 -0.08 0.00 1.43 0.00 0.00 31.44 32.11 1bhq n GLU 478 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1bhq s GLU 479 N -1.15 2.23 -0.13 3.44 2.02 -1.26 -5.02 118.70 118.83 1bhq s GLU 479 Ca 0.00 -1.32 -0.02 0.00 0.02 0.00 0.00 54.97 53.65 1bhq s GLU 479 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.08 1bhq s GLU 479 CO 0.00 0.40 0.01 -0.06 0.02 0.00 0.00 175.26 175.63 1bhq s PHE 480 N -2.02 0.95 -0.47 1.61 0.08 -1.26 -4.46 117.98 112.42 1bhq s PHE 480 Ca 0.28 -0.57 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 1bhq s PHE 480 Cb -0.08 -0.97 0.08 0.00 -0.57 0.00 0.00 43.02 41.49 1bhq s PHE 480 CO 0.18 -0.48 0.37 1.03 -0.10 0.00 0.00 175.22 176.22 1bhq s ARG 481 N 1.88 2.86 -0.63 0.44 1.81 -0.42 -4.99 118.95 119.89 1bhq s ARG 481 Ca 0.02 -1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 52.37 1bhq s ARG 481 Cb -0.15 -4.05 0.08 0.00 -0.45 0.00 0.00 34.95 30.38 1bhq s ARG 481 CO -0.07 -1.06 0.87 0.42 -0.68 0.00 0.00 175.30 174.78 1bhq s ILE 482 N 1.57 4.50 0.24 1.52 1.01 -1.26 0.11 121.20 128.88 1bhq s ILE 482 Ca 0.04 -0.59 0.12 0.00 0.00 0.00 0.00 60.65 60.22 1bhq s ILE 482 Cb -0.25 -4.61 -0.01 0.00 0.01 0.00 0.00 42.46 37.59 1bhq s ILE 482 CO 0.05 -1.34 1.60 0.45 0.00 0.00 0.00 174.94 175.70 1bhq h HIS 483 N 9.43 0.00 0.00 3.97 3.86 -1.68 -3.47 115.15 127.26 1bhq h HIS 483 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1bhq h HIS 483 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1bhq h HIS 483 CO 0.92 0.61 0.00 1.97 0.86 0.00 0.00 177.93 182.29 1bhq n PHE 484 N -3.71 0.00 -4.20 2.45 -1.74 -0.76 -4.95 117.46 104.55 1bhq n PHE 484 Ca -0.01 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.61 1bhq n PHE 484 Cb 0.63 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.55 1bhq n PHE 484 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1bhq s THR 485 N -1.88 3.75 0.40 1.97 -4.23 -1.26 0.69 115.64 115.08 1bhq s THR 485 Ca 0.00 -1.38 0.24 0.00 -1.18 0.00 0.00 61.69 59.37 1bhq s THR 485 Cb 0.00 -2.87 0.42 0.00 1.34 0.00 0.00 72.50 71.39 1bhq s THR 485 CO 0.00 -0.08 1.65 -0.26 -0.54 0.00 0.00 174.62 175.38 1bhq h PHE 486 N 2.79 0.68 0.00 3.99 0.04 -1.22 0.57 116.94 123.78 1bhq h PHE 486 Ca -0.47 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.30 1bhq h PHE 486 Cb 1.20 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 1bhq h PHE 486 CO 0.62 -0.20 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.80 1bhq h LYS 487 N 0.17 0.00 0.01 1.51 3.64 -1.39 -2.99 116.57 117.52 1bhq h LYS 487 Ca 0.77 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.86 1bhq h LYS 487 Cb 2.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.96 1bhq h LYS 487 CO -0.49 0.11 -1.61 0.39 -2.27 0.00 0.00 179.45 175.59 1bhq n GLU 488 N -4.24 0.59 -0.25 1.90 1.02 0.19 -4.30 120.64 115.55 1bhq n GLU 488 Ca -0.03 0.48 0.24 0.00 -0.02 0.00 0.00 57.16 57.83 1bhq n GLU 488 Cb 0.19 -1.69 0.44 0.00 -0.02 0.00 0.00 31.44 30.36 1bhq n GLU 488 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bhq n PHE 489 N -4.27 0.88 0.68 -0.32 7.35 -0.41 0.27 117.46 121.65 1bhq n PHE 489 Ca -0.37 0.93 0.11 0.00 -0.76 0.00 0.00 57.45 57.36 1bhq n PHE 489 Cb 0.77 -1.32 0.46 0.00 0.35 0.00 0.00 39.48 39.74 1bhq n PHE 489 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bhq n GLN 490 N -4.80 0.08 -1.68 -4.13 10.64 -1.15 0.06 117.38 116.39 1bhq n GLN 490 Ca 0.29 0.18 -0.23 0.00 -1.83 0.00 0.00 57.00 55.41 1bhq n GLN 490 Cb 0.98 -1.61 0.06 0.00 -0.86 0.00 0.00 30.24 28.80 1bhq n GLN 490 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1bhq n ASN 491 N -1.75 5.11 0.00 2.61 0.23 0.75 -4.59 115.26 117.62 1bhq n ASN 491 Ca 0.05 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.33 1bhq n ASN 491 Cb 0.28 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1bhq n ASN 491 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1bhq n ASN 492 N -0.82 0.00 -2.14 0.53 5.15 -1.13 -5.06 115.26 111.79 1bhq n ASN 492 Ca 0.46 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.33 1bhq n ASN 492 Cb 0.90 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 40.02 1bhq n ASN 492 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1bhq n PRO 493 N 0.00 1.66 -3.92 1.20 -0.02 0.11 -4.67 135.00 129.36 1bhq n PRO 493 Ca 0.00 -0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 60.33 1bhq n PRO 493 Cb 0.00 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1bhq n PRO 493 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bhq s ASN 494 N 2.21 4.35 0.43 2.55 3.84 -1.26 -4.99 114.94 122.07 1bhq s ASN 494 Ca 0.54 -2.56 0.23 0.00 0.21 0.00 0.00 52.86 51.28 1bhq s ASN 494 Cb 0.25 -1.49 1.21 0.00 -0.55 0.00 0.00 41.25 40.68 1bhq s ASN 494 CO -0.00 -0.30 1.78 -0.65 -2.79 0.00 0.00 177.10 175.14 1bhq h PRO 495 N 7.03 0.29 -0.37 0.43 0.11 -1.90 0.38 132.00 137.97 1bhq h PRO 495 Ca -0.06 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.87 1bhq h PRO 495 Cb 0.95 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1bhq h PRO 495 CO 0.59 0.19 -0.39 0.00 -0.21 0.00 0.00 178.00 178.17 1bhq h ARG 496 N 0.29 0.91 0.10 1.05 2.47 -1.94 -1.47 114.38 115.79 1bhq h ARG 496 Ca 0.58 -0.48 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1bhq h ARG 496 Cb 1.66 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 1bhq h ARG 496 CO -0.23 1.13 -0.05 1.03 0.56 0.00 0.00 179.97 182.42 1bhq h SER 497 N 0.74 -0.11 0.78 7.04 0.87 -1.37 -2.64 113.55 118.86 1bhq h SER 497 Ca 0.06 -0.28 -0.19 0.00 -1.23 0.00 0.00 61.79 60.15 1bhq h SER 497 Cb 0.98 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1bhq h SER 497 CO 0.09 0.23 -0.88 -0.07 -0.53 0.00 0.00 176.83 175.68 1bhq h LEU 498 N -0.47 0.08 0.00 2.23 3.38 -1.42 -3.34 115.31 115.76 1bhq h LEU 498 Ca -0.01 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1bhq h LEU 498 Cb 0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1bhq h LEU 498 CO 0.02 0.91 -0.70 0.58 0.09 0.00 0.00 178.44 179.35 1bhq h VAL 499 N 0.03 0.94 -0.29 1.22 2.07 -1.34 -3.39 116.25 115.48 1bhq h VAL 499 Ca -0.02 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.12 1bhq h VAL 499 Cb 1.53 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1bhq h VAL 499 CO 0.12 0.54 0.16 0.07 0.02 0.00 0.00 177.57 178.48 1bhq h LYS 500 N 0.00 0.41 -0.48 1.57 2.10 -1.59 -3.27 116.57 115.30 1bhq h LYS 500 Ca -0.03 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1bhq h LYS 500 Cb 1.47 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1bhq h LYS 500 CO 0.07 0.34 0.00 -0.35 -2.00 0.00 0.00 179.45 177.52 1bhq n PRO 501 N -4.82 1.37 -2.26 0.07 -0.05 -1.26 -4.95 135.00 123.10 1bhq n PRO 501 Ca -0.02 -0.39 -0.36 0.00 -0.05 0.00 0.00 63.50 62.68 1bhq n PRO 501 Cb 0.07 -1.32 -0.00 0.00 -0.05 0.00 0.00 33.50 32.20 1bhq n PRO 501 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1bhq s ILE 502 N -1.58 3.13 -0.09 0.52 1.01 -1.24 -5.05 121.20 117.91 1bhq s ILE 502 Ca 0.07 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1bhq s ILE 502 Cb 0.04 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1bhq s ILE 502 CO 0.03 -0.09 -0.22 0.42 0.00 0.00 0.00 174.94 175.09 1bhq s THR 503 N -1.66 1.90 1.02 2.92 -4.23 -1.26 -5.13 115.64 109.20 1bhq s THR 503 Ca 0.68 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 1bhq s THR 503 Cb -0.26 -1.65 0.20 0.00 1.34 0.00 0.00 72.50 72.14 1bhq s THR 503 CO 0.31 0.53 1.08 1.67 -0.54 0.00 0.00 174.62 177.66 1bhq n GLN 504 N 3.49 -1.26 -0.01 3.99 7.27 -1.26 -5.01 117.38 124.59 1bhq n GLN 504 Ca -0.19 -0.32 0.03 0.00 0.07 0.00 0.00 57.00 56.59 1bhq n GLN 504 Cb 0.53 -2.29 -0.07 0.00 2.41 0.00 0.00 30.24 30.82 1bhq n GLN 504 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1bhq n LEU 505 N -4.48 0.00 0.00 1.69 4.77 -1.05 -5.05 117.00 112.87 1bhq n LEU 505 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1bhq n LEU 505 Cb 0.53 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1bhq n LEU 505 CO 0.52 0.03 0.00 0.18 -1.33 0.00 0.00 177.39 176.79 1bhq n LEU 506 N -1.89 0.00 0.00 2.23 4.77 0.09 -4.87 117.00 117.33 1bhq n LEU 506 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1bhq n LEU 506 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1bhq n LEU 506 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1bhq n GLY 507 N 0.00 0.00 0.00 -0.72 0.00 -1.26 0.04 105.19 103.25 1bhq n GLY 507 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bhq n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bhq n ARG 508 N 0.00 2.83 -3.87 1.61 1.74 -1.26 -3.62 116.66 114.09 1bhq n ARG 508 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1bhq n ARG 508 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 1bhq n ARG 508 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1bhq s THR 509 N 1.44 3.18 -0.58 0.55 2.01 -1.24 -3.04 115.64 117.97 1bhq s THR 509 Ca 0.00 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.64 1bhq s THR 509 Cb 0.00 -2.84 0.44 0.00 0.01 0.00 0.00 72.50 70.10 1bhq s THR 509 CO 0.00 -0.16 1.74 1.41 -0.69 0.00 0.00 174.62 176.92 1bhq n HIS 510 N 4.66 3.08 -0.36 4.92 8.25 0.30 0.15 115.22 136.23 1bhq n HIS 510 Ca -0.12 -2.72 -0.09 0.00 -0.26 0.00 0.00 57.72 54.52 1bhq n HIS 510 Cb 0.43 -1.01 -0.08 0.00 1.12 0.00 0.00 29.99 30.45 1bhq n HIS 510 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bhq n THR 511 N -0.77 -0.58 -0.12 1.59 -1.04 -1.26 -1.27 114.28 110.83 1bhq n THR 511 Ca 0.55 2.05 -0.10 0.00 -2.04 0.00 0.00 64.05 64.51 1bhq n THR 511 Cb 0.68 -2.54 -0.08 0.00 -1.82 0.00 0.00 70.33 66.58 1bhq n THR 511 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bhq h ALA 512 N 0.43 -0.65 -0.69 2.41 0.00 -1.90 0.99 119.26 119.85 1bhq h ALA 512 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1bhq h ALA 512 Cb 0.35 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1bhq h ALA 512 CO -0.80 -0.86 0.47 1.15 0.00 0.00 0.00 179.25 179.21 1bhq h THR 513 N -0.29 0.80 -0.21 0.00 2.02 -1.51 0.46 112.91 114.17 1bhq h THR 513 Ca 0.06 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1bhq h THR 513 Cb 0.44 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1bhq h THR 513 CO -0.46 0.06 -0.34 1.23 0.37 0.00 0.00 175.52 176.37 1bhq h GLY 514 N 0.33 0.66 0.56 2.16 0.00 0.23 -2.12 103.07 104.90 1bhq h GLY 514 Ca 0.33 -0.75 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1bhq h GLY 514 CO -0.09 0.68 -0.18 -2.22 0.00 0.00 0.00 176.54 174.72 1bhq h ILE 515 N 0.29 0.56 -0.98 2.60 2.04 0.55 0.32 117.51 122.90 1bhq h ILE 515 Ca 0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1bhq h ILE 515 Cb 0.93 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 1bhq h ILE 515 CO 0.08 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.76 1bhq h ARG 516 N -0.30 0.52 0.00 2.37 2.43 -0.94 0.13 114.38 118.59 1bhq h ARG 516 Ca 0.06 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1bhq h ARG 516 Cb 0.37 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1bhq h ARG 516 CO -0.17 0.34 -0.27 0.87 -1.51 0.00 0.00 179.97 179.23 1bhq h LYS 517 N 0.53 0.00 0.52 0.20 1.57 -0.27 -0.37 116.57 118.75 1bhq h LYS 517 Ca 0.54 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1bhq h LYS 517 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1bhq h LYS 517 CO -0.28 0.27 -0.25 0.28 -0.57 0.00 0.00 179.45 178.90 1bhq h VAL 518 N 0.00 0.00 0.40 0.50 2.07 0.23 -1.65 116.25 117.79 1bhq h VAL 518 Ca -0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1bhq h VAL 518 Cb 1.20 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1bhq h VAL 518 CO 0.04 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.80 1bhq h VAL 519 N -0.89 0.19 -0.76 2.57 2.07 -1.36 -1.76 116.25 116.31 1bhq h VAL 519 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1bhq h VAL 519 Cb 0.53 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1bhq h VAL 519 CO 0.12 0.00 0.40 -0.09 0.02 0.00 0.00 177.57 178.02 1bhq h ARG 520 N -0.82 0.65 0.00 1.57 9.65 -1.15 -3.27 114.38 121.01 1bhq h ARG 520 Ca -0.03 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 1bhq h ARG 520 Cb 0.73 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1bhq h ARG 520 CO -0.07 0.43 -0.80 0.39 2.80 0.00 0.00 179.97 182.72 1bhq n GLU 521 N -4.82 0.35 0.03 0.20 4.71 -0.63 -4.61 120.64 115.87 1bhq n GLU 521 Ca 0.12 0.14 -0.16 0.00 -0.01 0.00 0.00 57.16 57.26 1bhq n GLU 521 Cb 0.29 -1.12 -0.10 0.00 -1.01 0.00 0.00 31.44 29.50 1bhq n GLU 521 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1bhq h LEU 522 N -0.66 -1.67 -2.39 -4.62 3.38 -1.29 -1.55 115.31 106.51 1bhq h LEU 522 Ca -0.05 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bhq h LEU 522 Cb 0.74 0.64 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1bhq h LEU 522 CO -0.03 -0.51 0.00 0.49 0.09 0.00 0.00 178.44 178.48 1bhq n PHE 523 N -5.45 0.00 -3.81 1.13 3.72 -0.97 -4.60 117.46 107.48 1bhq n PHE 523 Ca -0.07 -0.69 -0.24 0.00 -0.05 0.00 0.00 57.45 56.40 1bhq n PHE 523 Cb 0.39 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1bhq n PHE 523 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bhq s ASN 524 N 1.39 6.34 0.12 4.37 3.84 -0.58 -4.93 114.94 125.48 1bhq s ASN 524 Ca 0.00 0.23 -0.19 0.00 0.21 0.00 0.00 52.86 53.11 1bhq s ASN 524 Cb 0.00 -1.93 -0.06 0.00 -0.55 0.00 0.00 41.25 38.71 1bhq s ASN 524 CO 0.00 -0.06 1.76 -0.29 -2.79 0.00 0.00 177.10 175.71 1bhq h ILE 525 N 1.32 1.08 0.00 -5.21 2.10 -1.87 -2.79 117.51 112.14 1bhq h ILE 525 Ca -0.50 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.26 1bhq h ILE 525 Cb 1.21 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1bhq h ILE 525 CO 0.65 0.08 0.00 0.71 -1.08 0.00 0.00 178.15 178.50 1bhq h THR 526 N 0.29 0.00 -0.61 2.19 1.35 -1.93 -1.81 112.91 112.39 1bhq h THR 526 Ca 0.08 -0.11 -0.18 0.00 -0.55 0.00 0.00 66.41 65.66 1bhq h THR 526 Cb 0.00 0.71 -0.11 0.00 -1.73 0.00 0.00 68.15 67.03 1bhq h THR 526 CO -0.02 0.00 0.23 0.59 -0.25 0.00 0.00 175.52 176.07 1bhq n ASN 527 N -2.30 4.33 0.00 5.36 3.02 -1.06 -4.90 115.26 119.72 1bhq n ASN 527 Ca -0.00 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1bhq n ASN 527 Cb 0.12 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1bhq n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bhq n GLY 528 N -0.06 2.62 3.10 7.41 0.00 -0.68 -1.12 105.19 116.46 1bhq n GLY 528 Ca 0.34 -0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.70 1bhq n GLY 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhq n ALA 529 N 0.00 -3.18 -2.78 4.61 0.00 -1.20 -4.77 120.51 113.19 1bhq n ALA 529 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 1bhq n ALA 529 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 1bhq n ALA 529 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bhq s ARG 530 N -0.20 3.94 0.29 0.00 0.52 -1.26 -4.49 118.95 117.76 1bhq s ARG 530 Ca 0.76 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.70 1bhq s ARG 530 Cb -1.07 -3.28 0.44 0.00 0.52 0.00 0.00 34.95 31.56 1bhq s ARG 530 CO 0.51 0.38 1.89 1.57 0.02 0.00 0.00 175.30 179.67 1bhq h LYS 531 N 6.35 0.90 -0.86 3.54 2.10 -1.97 -2.94 116.57 123.69 1bhq h LYS 531 Ca -0.42 -0.13 -0.14 0.00 -2.00 0.00 0.00 60.65 57.96 1bhq h LYS 531 Cb 1.17 -0.16 -0.08 0.00 -0.90 0.00 0.00 32.23 32.25 1bhq h LYS 531 CO 0.70 0.72 0.18 0.09 -2.00 0.00 0.00 179.45 179.14 1bhq n ASN 532 N -4.33 3.66 -4.78 7.07 3.02 -1.26 -4.93 115.26 113.71 1bhq n ASN 532 Ca 0.06 -2.74 -0.25 0.00 -0.03 0.00 0.00 54.58 51.62 1bhq n ASN 532 Cb 0.15 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 1bhq n ASN 532 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bhq s ALA 533 N -2.01 3.52 0.08 5.41 0.00 -1.11 -5.04 121.76 122.60 1bhq s ALA 533 Ca 0.33 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1bhq s ALA 533 Cb 0.27 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1bhq s ALA 533 CO 0.08 0.44 1.37 -0.06 0.00 0.00 0.00 175.76 177.59 1bhq s PHE 534 N -1.85 3.17 -0.35 0.00 0.40 -1.26 -4.80 117.98 113.29 1bhq s PHE 534 Ca 0.31 0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 57.47 1bhq s PHE 534 Cb -0.09 -3.64 -0.01 0.00 0.51 0.00 0.00 43.02 39.78 1bhq s PHE 534 CO 0.23 -2.25 0.27 0.15 0.70 0.00 0.00 175.22 174.33 1bhq s LYS 535 N 1.43 3.45 0.00 0.44 -0.14 -1.26 0.15 119.74 123.81 1bhq s LYS 535 Ca 0.64 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.66 1bhq s LYS 535 Cb -0.34 -3.83 -0.02 0.00 -1.68 0.00 0.00 37.83 31.96 1bhq s LYS 535 CO 0.29 -0.50 -0.17 0.42 -0.76 0.00 0.00 175.35 174.63 1bhq s ILE 536 N 1.79 1.35 -0.04 2.17 1.01 0.12 -0.42 121.20 127.17 1bhq s ILE 536 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1bhq s ILE 536 Cb -0.17 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1bhq s ILE 536 CO 0.11 0.30 -0.02 -0.22 0.00 0.00 0.00 174.94 175.11 1bhq s LEU 537 N -0.61 1.15 -0.23 2.97 2.96 0.15 0.41 118.68 125.48 1bhq s LEU 537 Ca 0.06 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1bhq s LEU 537 Cb -0.07 -0.36 0.04 0.00 0.50 0.00 0.00 46.19 46.30 1bhq s LEU 537 CO -0.00 -0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.11 1bhq s VAL 538 N 1.11 2.28 -0.18 1.68 1.01 -0.69 -1.34 120.40 124.27 1bhq s VAL 538 Ca -0.08 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1bhq s VAL 538 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1bhq s VAL 538 CO -0.01 0.25 0.06 -0.69 0.00 0.00 0.00 175.10 174.70 1bhq s VAL 539 N 1.23 4.70 -0.24 2.92 1.01 -0.45 -0.51 120.40 129.05 1bhq s VAL 539 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1bhq s VAL 539 Cb -0.16 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1bhq s VAL 539 CO -0.08 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 1bhq s ILE 540 N 0.43 2.22 0.13 2.22 1.01 0.10 -0.48 121.20 126.84 1bhq s ILE 540 Ca 0.03 -1.40 0.06 0.00 0.00 0.00 0.00 60.65 59.33 1bhq s ILE 540 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1bhq s ILE 540 CO 0.01 0.13 -0.14 0.28 0.00 0.00 0.00 174.94 175.22 1bhq s THR 541 N 1.17 1.38 -0.80 2.92 -1.32 -0.90 -1.51 115.64 116.58 1bhq s THR 541 Ca -0.05 -1.78 0.14 0.00 -1.21 0.00 0.00 61.69 58.79 1bhq s THR 541 Cb -0.18 -1.60 -0.12 0.00 -1.51 0.00 0.00 72.50 69.09 1bhq s THR 541 CO -0.07 -0.44 0.63 -0.67 -2.21 0.00 0.00 174.62 171.86 1bhq n ASP 542 N 0.42 0.84 -2.46 8.08 2.03 -1.26 -0.61 116.55 123.59 1bhq n ASP 542 Ca -0.15 -0.92 -0.00 0.00 0.52 0.00 0.00 54.79 54.25 1bhq n ASP 542 Cb 0.57 0.88 0.01 0.00 -0.72 0.00 0.00 41.12 41.87 1bhq n ASP 542 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhq n GLY 543 N 1.27 0.65 3.80 0.27 0.00 -1.26 -4.77 105.19 105.16 1bhq n GLY 543 Ca 0.03 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1bhq n GLY 543 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bhq s GLU 544 N -2.02 3.70 -0.19 1.61 2.02 -1.26 -4.95 118.70 117.60 1bhq s GLU 544 Ca 0.15 1.28 -0.28 0.00 0.02 0.00 0.00 54.97 56.14 1bhq s GLU 544 Cb -0.01 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1bhq s GLU 544 CO 0.01 -0.51 2.14 0.21 0.02 0.00 0.00 175.26 177.14 1bhq s LYS 545 N -3.52 3.29 -0.16 1.61 2.20 -1.26 -4.74 119.74 117.15 1bhq s LYS 545 Ca 0.65 2.05 -0.01 0.00 -0.36 0.00 0.00 55.97 58.30 1bhq s LYS 545 Cb -0.15 -4.33 -0.01 0.00 -1.51 0.00 0.00 37.83 31.83 1bhq s LYS 545 CO 0.25 -1.92 -0.11 0.12 -0.36 0.00 0.00 175.35 173.33 1bhq s PHE 546 N 7.64 2.86 -1.12 4.03 5.36 0.39 -4.76 117.98 132.39 1bhq s PHE 546 Ca 0.97 -0.82 -0.06 0.00 -0.96 0.00 0.00 56.93 56.07 1bhq s PHE 546 Cb -0.33 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1bhq s PHE 546 CO 0.36 -0.37 0.90 0.41 -1.46 0.00 0.00 175.22 175.06 1bhq n GLY 547 N 4.02 -0.86 3.29 13.12 0.00 -1.26 -3.67 105.19 119.83 1bhq n GLY 547 Ca -0.18 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1bhq n GLY 547 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bhq s ASP 548 N -3.73 3.56 0.13 1.61 2.15 -1.26 -4.94 116.67 114.18 1bhq s ASP 548 Ca 0.30 -0.45 -0.22 0.00 0.43 0.00 0.00 52.55 52.61 1bhq s ASP 548 Cb -0.05 -1.52 -0.02 0.00 -0.30 0.00 0.00 42.92 41.03 1bhq s ASP 548 CO 0.76 0.15 1.67 -0.65 -0.17 0.00 0.00 175.17 176.92 1bhq h PRO 549 N 6.80 -0.19 -7.36 4.34 0.11 -1.99 -3.43 132.00 130.28 1bhq h PRO 549 Ca -0.24 0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.40 1bhq h PRO 549 Cb 1.22 0.04 0.13 0.00 0.11 0.00 0.00 31.00 32.50 1bhq h PRO 549 CO 0.52 -0.13 0.29 -0.51 -0.21 0.00 0.00 178.00 177.97 1bhq s LEU 550 N -10.41 2.47 0.43 2.35 1.02 -1.26 -5.09 118.68 108.18 1bhq s LEU 550 Ca -0.14 1.45 0.03 0.00 0.02 0.00 0.00 54.13 55.49 1bhq s LEU 550 Cb 0.10 -3.98 -0.02 0.00 0.02 0.00 0.00 46.19 42.31 1bhq s LEU 550 CO 0.68 -2.31 0.10 -0.83 0.02 0.00 0.00 176.35 174.01 1bhq s GLY 551 N -3.61 2.67 0.08 -3.19 0.00 -1.26 -4.85 107.32 97.16 1bhq s GLY 551 Ca 0.62 -1.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 1bhq s GLY 551 CO 0.56 -1.90 1.32 -0.97 0.00 0.00 0.00 173.10 172.10 1bhq h TYR 552 N 1.72 0.83 -0.25 1.90 0.05 -1.98 -3.00 116.97 116.24 1bhq h TYR 552 Ca -0.37 -0.32 0.07 0.00 0.05 0.00 0.00 58.73 58.16 1bhq h TYR 552 Cb 1.28 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1bhq h TYR 552 CO 1.47 1.10 0.28 0.93 -1.05 0.00 0.00 178.16 180.88 1bhq h GLU 553 N 0.33 0.00 0.06 4.88 3.07 -1.99 1.13 114.58 122.06 1bhq h GLU 553 Ca -0.01 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 1bhq h GLU 553 Cb 1.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 1bhq h GLU 553 CO 0.10 0.00 -1.46 -0.44 -1.40 0.00 0.00 179.01 175.81 1bhq h ASP 554 N 0.00 0.19 0.00 1.42 5.19 -1.95 -3.42 116.42 117.85 1bhq h ASP 554 Ca 0.12 -0.27 -0.17 0.00 -0.62 0.00 0.00 57.03 56.08 1bhq h ASP 554 Cb 0.67 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 1bhq h ASP 554 CO -0.00 1.23 -1.65 1.33 -3.12 0.00 0.00 179.24 177.03 1bhq n VAL 555 N -3.32 0.65 0.07 -1.35 0.24 0.69 -4.77 118.33 110.54 1bhq n VAL 555 Ca -0.13 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.73 1bhq n VAL 555 Cb 1.02 -0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 32.43 1bhq n VAL 555 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1bhq h ILE 556 N 0.00 0.00 -1.04 1.34 1.08 0.86 -2.98 117.51 116.77 1bhq h ILE 556 Ca -0.26 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.49 1bhq h ILE 556 Cb 1.45 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.08 1bhq h ILE 556 CO -0.03 0.00 0.64 -0.65 -0.69 0.00 0.00 178.15 177.42 1bhq h PRO 557 N -0.66 0.43 0.00 2.37 0.11 -1.80 0.74 132.00 133.18 1bhq h PRO 557 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1bhq h PRO 557 Cb 0.69 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1bhq h PRO 557 CO -0.32 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 176.91 1bhq n GLU 558 N -4.79 0.26 -0.03 1.05 0.28 -1.14 -2.48 120.64 113.79 1bhq n GLU 558 Ca 0.28 0.23 -0.18 0.00 -0.16 0.00 0.00 57.16 57.32 1bhq n GLU 558 Cb 0.88 -1.81 -0.13 0.00 1.43 0.00 0.00 31.44 31.80 1bhq n GLU 558 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bhq h ALA 559 N 2.51 0.03 -0.18 -1.84 0.00 0.60 -3.17 119.26 117.20 1bhq h ALA 559 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 54.91 54.22 1bhq h ALA 559 Cb 0.72 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1bhq h ALA 559 CO 0.00 0.31 -0.06 -0.44 0.00 0.00 0.00 179.25 179.06 1bhq h ASP 560 N -0.72 -0.20 -0.39 0.00 3.32 -1.36 0.64 116.42 117.72 1bhq h ASP 560 Ca -0.13 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1bhq h ASP 560 Cb 1.33 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.96 1bhq h ASP 560 CO 0.03 -0.07 -0.23 -1.14 -1.72 0.00 0.00 179.24 176.10 1bhq n ARG 561 N -5.20 -0.17 0.00 3.56 0.63 -1.03 0.27 116.66 114.71 1bhq n ARG 561 Ca -0.03 1.05 0.10 0.00 -0.92 0.00 0.00 57.85 58.05 1bhq n ARG 561 Cb 0.13 -1.55 0.49 0.00 0.45 0.00 0.00 32.46 31.97 1bhq n ARG 561 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bhq n GLU 562 N -3.87 0.20 -2.65 -0.14 4.71 -1.11 -4.91 120.64 112.87 1bhq n GLU 562 Ca 0.01 0.11 -0.01 0.00 -0.01 0.00 0.00 57.16 57.26 1bhq n GLU 562 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1bhq n GLU 562 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bhq n GLY 563 N 0.48 -0.97 3.48 0.62 0.00 0.75 -4.96 105.19 104.59 1bhq n GLY 563 Ca 0.08 0.29 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 1bhq n GLY 563 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bhq s VAL 564 N -3.02 4.55 0.10 1.61 1.01 -0.72 -4.26 120.40 119.67 1bhq s VAL 564 Ca 0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1bhq s VAL 564 Cb -0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 1bhq s VAL 564 CO 0.55 0.32 0.90 -0.63 0.00 0.00 0.00 175.10 176.24 1bhq s ILE 565 N 1.63 4.54 -0.07 2.22 1.01 0.43 -4.67 121.20 126.29 1bhq s ILE 565 Ca 0.06 1.93 0.05 0.00 0.00 0.00 0.00 60.65 62.70 1bhq s ILE 565 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1bhq s ILE 565 CO 0.05 0.35 -0.24 -0.13 0.00 0.00 0.00 174.94 174.97 1bhq s ARG 566 N -0.12 2.67 -0.03 2.79 0.52 -1.26 -0.67 118.95 122.85 1bhq s ARG 566 Ca 0.44 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1bhq s ARG 566 Cb -0.23 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1bhq s ARG 566 CO 0.28 0.28 -0.19 0.71 0.02 0.00 0.00 175.30 176.40 1bhq s TYR 567 N 0.07 1.81 -0.03 -0.53 2.02 -0.45 -2.15 117.35 118.08 1bhq s TYR 567 Ca -0.10 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1bhq s TYR 567 Cb -0.15 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1bhq s TYR 567 CO 0.06 -0.09 -0.05 0.08 -1.57 0.00 0.00 175.55 173.97 1bhq s VAL 568 N -0.26 0.54 -0.20 0.71 1.01 0.16 -1.34 120.40 121.01 1bhq s VAL 568 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1bhq s VAL 568 Cb -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1bhq s VAL 568 CO 0.01 0.20 0.02 -0.63 0.00 0.00 0.00 175.10 174.70 1bhq s ILE 569 N 0.60 4.22 -0.14 2.22 -1.09 0.37 -1.67 121.20 125.70 1bhq s ILE 569 Ca -0.08 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 1bhq s ILE 569 Cb -0.11 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1bhq s ILE 569 CO 0.00 0.43 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.13 1bhq s GLY 570 N 0.84 1.43 -0.26 6.18 0.00 -0.58 -2.12 107.32 112.82 1bhq s GLY 570 Ca 0.02 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1bhq s GLY 570 CO 0.02 -0.03 -0.11 0.14 0.00 0.00 0.00 173.10 173.13 1bhq s VAL 571 N 0.76 2.19 0.00 1.40 1.01 0.22 -1.12 120.40 124.86 1bhq s VAL 571 Ca -0.07 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1bhq s VAL 571 Cb -0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1bhq s VAL 571 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1bhq n GLY 572 N 4.44 3.04 0.50 4.51 0.00 -1.01 -4.47 105.19 112.21 1bhq n GLY 572 Ca -0.14 -1.97 0.32 0.00 0.00 0.00 0.00 46.02 44.23 1bhq n GLY 572 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bhq h ASP 573 N 0.00 0.03 -0.94 1.61 2.03 -1.88 -0.40 116.42 116.87 1bhq h ASP 573 Ca 0.00 0.00 0.16 0.00 -0.73 0.00 0.00 57.03 56.47 1bhq h ASP 573 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1bhq h ASP 573 CO 0.00 0.01 0.60 0.00 -1.03 0.00 0.00 179.24 178.81 1bhq h ALA 574 N 1.47 1.81 -0.43 4.15 0.00 -1.88 -0.72 119.26 123.66 1bhq h ALA 574 Ca 0.52 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.23 1bhq h ALA 574 Cb 2.02 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 1bhq h ALA 574 CO -0.02 -0.09 0.29 1.19 0.00 0.00 0.00 179.25 180.62 1bhq n PHE 575 N -4.61 1.33 0.93 0.00 3.72 -0.16 -3.93 117.46 114.75 1bhq n PHE 575 Ca 0.19 -1.15 0.10 0.00 -0.05 0.00 0.00 57.45 56.54 1bhq n PHE 575 Cb 0.51 -0.58 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1bhq n PHE 575 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1bhq n ARG 576 N -0.15 0.84 -1.63 -1.08 0.63 -0.28 -4.47 116.66 110.53 1bhq n ARG 576 Ca 0.26 -0.42 -0.29 0.00 -0.92 0.00 0.00 57.85 56.48 1bhq n ARG 576 Cb 0.97 -1.43 0.16 0.00 0.45 0.00 0.00 32.46 32.61 1bhq n ARG 576 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1bhq s SER 577 N -2.64 3.06 -0.32 6.15 0.01 -1.25 -4.95 113.70 113.76 1bhq s SER 577 Ca 0.12 0.66 0.08 0.00 1.31 0.00 0.00 55.95 58.12 1bhq s SER 577 Cb 0.16 -1.00 0.67 0.00 0.21 0.00 0.00 66.02 66.06 1bhq s SER 577 CO 0.69 -2.80 1.73 -1.84 0.41 0.00 0.00 173.24 171.43 1bhq n GLU 578 N -3.88 3.25 0.00 12.44 0.28 -1.26 -3.72 120.64 127.75 1bhq n GLU 578 Ca 0.11 -2.77 0.00 0.00 -0.16 0.00 0.00 57.16 54.34 1bhq n GLU 578 Cb 0.60 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1bhq n GLU 578 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bhq n LYS 579 N -0.26 2.19 -0.05 3.44 4.01 -1.26 -4.81 118.16 121.42 1bhq n LYS 579 Ca 0.40 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 58.06 1bhq n LYS 579 Cb 1.35 -0.29 -0.08 0.00 -0.51 0.00 0.00 35.03 35.50 1bhq n LYS 579 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1bhq h SER 580 N 0.00 0.44 -0.95 4.39 4.64 -1.86 -2.89 113.55 117.32 1bhq h SER 580 Ca 0.00 -0.56 0.19 0.00 -0.47 0.00 0.00 61.79 60.95 1bhq h SER 580 Cb 0.00 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 61.88 1bhq h SER 580 CO 0.00 0.92 0.61 -0.09 -0.87 0.00 0.00 176.83 177.39 1bhq h ARG 581 N -0.03 0.58 -0.28 4.77 9.65 -1.78 -1.04 114.38 126.25 1bhq h ARG 581 Ca 0.00 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1bhq h ARG 581 Cb 0.84 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.26 1bhq h ARG 581 CO 0.06 0.38 0.05 0.37 2.80 0.00 0.00 179.97 183.62 1bhq h GLN 582 N 0.59 0.14 0.00 0.20 4.15 -1.82 0.40 115.11 118.78 1bhq h GLN 582 Ca 0.52 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.87 1bhq h GLN 582 Cb 1.02 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1bhq h GLN 582 CO -0.26 0.09 -0.27 1.49 -1.93 0.00 0.00 178.83 177.95 1bhq h GLU 583 N 0.15 0.00 -0.14 1.69 4.81 -1.17 -2.28 114.58 117.64 1bhq h GLU 583 Ca 0.13 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1bhq h GLU 583 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1bhq h GLU 583 CO -0.18 0.27 -0.41 -0.07 -0.73 0.00 0.00 179.01 177.89 1bhq h LEU 584 N 0.00 0.60 0.00 1.64 3.38 -0.78 -2.72 115.31 117.42 1bhq h LEU 584 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1bhq h LEU 584 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1bhq h LEU 584 CO 0.04 1.09 0.00 0.59 0.09 0.00 0.00 178.44 180.25 1bhq n ASN 585 N -4.29 0.00 -0.01 -0.43 3.02 0.13 -3.53 115.26 110.15 1bhq n ASN 585 Ca -0.07 0.47 -0.20 0.00 -0.03 0.00 0.00 54.58 54.74 1bhq n ASN 585 Cb 0.54 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 1bhq n ASN 585 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1bhq n THR 586 N -1.48 1.74 0.13 3.41 -1.04 -0.89 -4.31 114.28 111.84 1bhq n THR 586 Ca 0.03 -0.66 -0.02 0.00 -2.04 0.00 0.00 64.05 61.36 1bhq n THR 586 Cb 0.13 -1.65 0.16 0.00 -1.82 0.00 0.00 70.33 67.14 1bhq n THR 586 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1bhq h ILE 587 N 0.06 1.45 -3.33 12.58 2.04 -1.57 -3.45 117.51 125.29 1bhq h ILE 587 Ca -0.43 -2.15 -0.43 0.00 1.00 0.00 0.00 64.86 62.85 1bhq h ILE 587 Cb 2.02 2.15 0.20 0.00 -0.74 0.00 0.00 36.82 40.46 1bhq h ILE 587 CO 0.07 0.62 0.03 0.00 0.00 0.00 0.00 178.15 178.86 1bhq s ALA 588 N -3.59 -0.28 0.29 1.87 0.00 -1.24 -4.75 121.76 114.06 1bhq s ALA 588 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1bhq s ALA 588 Cb 0.13 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1bhq s ALA 588 CO 0.77 -3.81 0.38 -1.12 0.00 0.00 0.00 175.76 171.98 1bhq s SER 589 N -2.86 5.94 -0.07 0.00 0.01 -0.91 -4.88 113.70 110.92 1bhq s SER 589 Ca 0.68 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 1bhq s SER 589 Cb -0.21 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1bhq s SER 589 CO 0.62 -0.25 0.31 -0.54 0.41 0.00 0.00 173.24 173.78 1bhq s LYS 590 N -4.04 3.87 0.39 12.44 3.01 -1.26 -3.20 119.74 130.95 1bhq s LYS 590 Ca 0.39 0.19 -0.23 0.00 -1.01 0.00 0.00 55.97 55.30 1bhq s LYS 590 Cb -0.09 -3.26 -0.10 0.00 -1.01 0.00 0.00 37.83 33.37 1bhq s LYS 590 CO 0.29 0.60 0.98 -1.25 0.51 0.00 0.00 175.35 176.48 1bhq s PRO 591 N -0.66 4.29 0.21 -1.68 0.04 -1.26 -5.09 135.00 130.84 1bhq s PRO 591 Ca 0.20 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1bhq s PRO 591 Cb -0.14 -2.48 0.17 0.00 0.04 0.00 0.00 34.50 32.09 1bhq s PRO 591 CO 0.08 0.00 1.51 -1.35 0.04 0.00 0.00 177.00 177.29 1bhq h PRO 592 N 2.46 0.32 -0.06 0.56 0.11 -1.87 -2.99 132.00 130.52 1bhq h PRO 592 Ca -0.48 -0.23 0.02 0.00 0.11 0.00 0.00 66.00 65.42 1bhq h PRO 592 Cb 1.20 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bhq h PRO 592 CO 0.62 0.85 0.29 0.07 -0.21 0.00 0.00 178.00 179.63 1bhq h ARG 593 N 0.23 0.00 0.00 1.05 0.11 -1.90 0.19 114.38 114.06 1bhq h ARG 593 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1bhq h ARG 593 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1bhq h ARG 593 CO 0.10 0.00 -0.91 -0.25 0.10 0.00 0.00 179.97 179.02 1bhq n ASP 594 N -3.09 0.89 -0.26 0.08 9.92 -1.14 -4.57 116.55 118.37 1bhq n ASP 594 Ca -0.01 -0.65 0.03 0.00 -0.53 0.00 0.00 54.79 53.63 1bhq n ASP 594 Cb 0.36 1.15 0.04 0.00 -0.64 0.00 0.00 41.12 42.03 1bhq n ASP 594 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1bhq n HIS 595 N -1.49 0.05 -4.94 1.24 8.25 0.49 -4.97 115.22 113.84 1bhq n HIS 595 Ca 0.01 -0.10 -0.32 0.00 -0.26 0.00 0.00 57.72 57.05 1bhq n HIS 595 Cb 0.26 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.20 1bhq n HIS 595 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bhq s VAL 596 N -0.61 2.35 -0.20 1.59 1.01 -0.19 0.38 120.40 124.74 1bhq s VAL 596 Ca 0.08 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1bhq s VAL 596 Cb 0.05 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1bhq s VAL 596 CO 0.08 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.27 1bhq s PHE 597 N 0.49 2.30 -0.40 5.22 0.08 -0.67 -4.89 117.98 120.10 1bhq s PHE 597 Ca -0.14 -1.52 -0.09 0.00 0.12 0.00 0.00 56.93 55.30 1bhq s PHE 597 Cb -0.17 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 40.77 1bhq s PHE 597 CO 0.05 -0.73 0.24 -1.14 -0.10 0.00 0.00 175.22 173.55 1bhq s GLN 598 N 1.43 2.66 0.30 0.44 -0.44 -1.26 -1.52 119.66 121.27 1bhq s GLN 598 Ca -0.01 -1.36 0.06 0.00 -2.50 0.00 0.00 55.36 51.55 1bhq s GLN 598 Cb -0.16 -3.75 -0.02 0.00 -1.64 0.00 0.00 33.01 27.44 1bhq s GLN 598 CO -0.08 -0.88 0.43 0.08 0.50 0.00 0.00 175.29 175.34 1bhq s VAL 599 N 1.45 4.47 -0.11 1.34 1.01 -0.28 -5.00 120.40 123.29 1bhq s VAL 599 Ca 0.02 -0.99 0.16 0.00 0.00 0.00 0.00 61.98 61.17 1bhq s VAL 599 Cb -0.22 -3.56 -0.16 0.00 0.00 0.00 0.00 36.38 32.44 1bhq s VAL 599 CO 0.03 -0.21 0.75 0.59 0.00 0.00 0.00 175.10 176.26 1bhq n ASN 600 N -1.56 0.80 -3.61 3.32 3.02 -1.26 -2.40 115.26 113.56 1bhq n ASN 600 Ca -0.03 0.36 -0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1bhq n ASN 600 Cb 0.58 0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.95 1bhq n ASN 600 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bhq s ASN 601 N -5.78 -0.10 0.25 6.41 4.22 -1.26 -4.10 114.94 114.59 1bhq s ASN 601 Ca -0.04 -0.08 -0.03 0.00 -2.14 0.00 0.00 52.86 50.57 1bhq s ASN 601 Cb 0.09 0.16 0.49 0.00 1.28 0.00 0.00 41.25 43.27 1bhq s ASN 601 CO 0.82 -0.28 1.73 -0.26 -2.04 0.00 0.00 177.10 177.07 1bhq h PHE 602 N 2.00 0.56 -0.57 1.54 0.04 -1.93 -0.92 116.94 117.67 1bhq h PHE 602 Ca -0.21 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.68 1bhq h PHE 602 Cb 1.19 -0.13 -0.10 0.00 2.20 0.00 0.00 35.95 39.11 1bhq h PHE 602 CO 0.31 0.07 -0.50 0.93 -0.60 0.00 0.00 178.31 178.52 1bhq h GLU 603 N 0.47 -0.25 0.00 1.51 4.39 -1.96 -2.18 114.58 116.55 1bhq h GLU 603 Ca 0.43 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1bhq h GLU 603 Cb 0.66 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1bhq h GLU 603 CO -0.41 -0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.27 1bhq n ALA 604 N -3.14 1.05 0.09 3.43 0.00 -0.35 -2.91 120.51 118.68 1bhq n ALA 604 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1bhq n ALA 604 Cb 0.34 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1bhq n ALA 604 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bhq h LEU 605 N 0.58 0.00 -1.65 0.00 3.38 -1.47 -3.29 115.31 112.85 1bhq h LEU 605 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1bhq h LEU 605 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1bhq h LEU 605 CO 0.00 0.15 0.40 0.11 0.09 0.00 0.00 178.44 179.19 1bhq h LYS 606 N 0.00 0.38 0.00 1.13 1.79 -1.76 -2.05 116.57 116.06 1bhq h LYS 606 Ca -0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1bhq h LYS 606 Cb 1.15 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1bhq h LYS 606 CO 0.01 0.25 0.00 1.79 -1.08 0.00 0.00 179.45 180.42 1bhq h THR 607 N 0.39 0.00 0.00 -0.16 1.35 -1.83 -3.20 112.91 109.46 1bhq h THR 607 Ca 0.27 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1bhq h THR 607 Cb 0.55 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1bhq h THR 607 CO -0.07 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.50 1bhq n ILE 608 N -2.82 0.11 -0.26 6.82 -5.35 -0.77 -4.75 119.36 112.34 1bhq n ILE 608 Ca -0.02 -0.54 0.05 0.00 -0.27 0.00 0.00 62.75 61.97 1bhq n ILE 608 Cb 0.08 0.97 0.19 0.00 -1.74 0.00 0.00 39.64 39.14 1bhq n ILE 608 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1bhq h GLN 609 N 0.00 0.44 0.05 6.28 4.20 -1.62 0.12 115.11 124.58 1bhq h GLN 609 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1bhq h GLN 609 Cb 0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1bhq h GLN 609 CO 0.00 0.29 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.51 1bhq h ASN 610 N 0.45 -0.06 0.00 1.46 2.35 -1.85 0.42 115.58 118.35 1bhq h ASN 610 Ca 0.42 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1bhq h ASN 610 Cb 0.63 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1bhq h ASN 610 CO -0.40 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.45 1bhq n GLN 611 N -5.06 0.00 -0.45 0.81 3.00 -0.47 -0.91 117.38 114.30 1bhq n GLN 611 Ca -0.08 0.17 0.36 0.00 -0.01 0.00 0.00 57.00 57.44 1bhq n GLN 611 Cb 0.11 -1.07 0.57 0.00 0.00 0.00 0.00 30.24 29.84 1bhq n GLN 611 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1bhq n LEU 612 N -0.82 0.09 -0.01 1.08 7.94 0.29 0.85 117.00 126.41 1bhq n LEU 612 Ca 0.00 0.92 -0.12 0.00 -1.11 0.00 0.00 56.01 55.70 1bhq n LEU 612 Cb 0.00 -0.46 -0.10 0.00 0.53 0.00 0.00 43.42 43.40 1bhq n LEU 612 CO 0.00 -0.97 0.45 -0.09 -1.11 0.00 0.00 177.39 175.67 1bhq h ARG 613 N 0.00 -0.07 -0.17 1.96 2.43 -0.60 -3.15 114.38 114.77 1bhq h ARG 613 Ca 0.70 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.80 1bhq h ARG 613 Cb 2.51 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 32.06 1bhq h ARG 613 CO -0.19 0.53 -0.20 1.05 -1.51 0.00 0.00 179.97 179.64 1bhq h GLU 614 N -0.79 0.29 -0.60 0.20 4.11 0.24 -2.83 114.58 115.20 1bhq h GLU 614 Ca -0.01 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1bhq h GLU 614 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1bhq h GLU 614 CO 0.01 0.49 0.06 0.87 0.07 0.00 0.00 179.01 180.51 1bhq h LYS 615 N 0.27 1.01 0.00 1.06 1.57 -1.37 -2.45 116.57 116.66 1bhq h LYS 615 Ca 0.05 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1bhq h LYS 615 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1bhq h LYS 615 CO 0.03 0.97 0.00 -0.89 -0.57 0.00 0.00 179.45 179.00 1bhq n ILE 616 N -4.26 0.07 -0.12 1.86 5.41 -1.09 -3.43 119.36 117.80 1bhq n ILE 616 Ca 0.03 0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.63 1bhq n ILE 616 Cb 0.30 -0.58 -0.11 0.00 -0.71 0.00 0.00 39.64 38.54 1bhq n ILE 616 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1bhq n PHE 617 N -1.13 0.00 -0.21 1.39 3.72 -1.07 -4.36 117.46 115.80 1bhq n PHE 617 Ca 0.17 0.00 0.31 0.00 -0.05 0.00 0.00 57.45 57.88 1bhq n PHE 617 Cb 0.15 -0.94 0.71 0.00 -0.94 0.00 0.00 39.48 38.45 1bhq n PHE 617 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bhq h ALA 618 N 0.02 2.86 -0.94 4.37 0.00 -1.47 1.67 119.26 125.78 1bhq h ALA 618 Ca -0.55 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 53.70 1bhq h ALA 618 Cb 1.86 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 19.45 1bhq h ALA 618 CO -0.08 -1.31 0.81 0.44 0.00 0.00 0.00 179.25 179.10 1bhq n ILE 619 N -3.93 3.50 -0.03 0.00 -5.35 -1.26 -3.59 119.36 108.71 1bhq n ILE 619 Ca 0.21 -2.71 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 1bhq n ILE 619 Cb 1.14 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1bhq n ILE 619 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1bhq n GLU 620 N -0.78 0.00 0.00 6.28 4.07 -0.37 -5.04 120.64 124.80 1bhq n GLU 620 Ca 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1bhq n GLU 620 Cb 0.71 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.09 1bhq n GLU 620 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48