#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqy s LEU 454 N 0.00 4.38 0.69 1.20 1.43 -1.26 -4.99 118.68 120.13 3hqy s LEU 454 Ca 0.00 2.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 3hqy s LEU 454 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3hqy s LEU 454 CO 0.00 -0.66 1.13 -2.65 0.23 0.00 0.00 176.35 174.40 3hqy n PRO 455 N 3.29 0.76 -0.31 1.29 -0.02 -1.26 -4.74 135.00 134.01 3hqy n PRO 455 Ca 0.10 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3hqy n PRO 455 Cb 0.41 -2.37 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 3hqy n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqy h ALA 456 N 0.08 1.64 -0.57 3.55 0.00 -1.99 -1.40 119.26 120.56 3hqy h ALA 456 Ca -0.49 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3hqy h ALA 456 Cb 1.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hqy h ALA 456 CO 0.50 0.14 0.03 -0.09 0.00 0.00 0.00 179.25 179.83 3hqy h ARG 457 N 0.89 0.97 -0.33 0.00 2.43 -2.00 -2.45 114.38 113.89 3hqy h ARG 457 Ca 0.45 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3hqy h ARG 457 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3hqy h ARG 457 CO -0.22 0.93 -0.27 0.82 -1.51 0.00 0.00 179.97 179.72 3hqy h ILE 458 N 0.90 1.29 -0.85 1.20 2.04 -1.71 -0.33 117.51 120.05 3hqy h ILE 458 Ca 0.17 -1.43 0.13 0.00 1.00 0.00 0.00 64.86 64.72 3hqy h ILE 458 Cb 0.48 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3hqy h ILE 458 CO 0.02 0.47 0.55 0.00 0.00 0.00 0.00 178.15 179.19 3hqy h ARG 460 N 0.69 -0.06 0.00 0.00 2.43 -1.37 -3.39 114.38 112.68 3hqy h ARG 460 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3hqy h ARG 460 Cb 0.62 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3hqy h ARG 460 CO -0.17 0.42 0.00 -0.44 -1.51 0.00 0.00 179.97 178.26 3hqy h ASP 461 N -0.97 0.00 0.82 -3.80 3.32 -0.64 -2.94 116.42 112.21 3hqy h ASP 461 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hqy h ASP 461 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hqy h ASP 461 CO 0.01 0.00 0.00 -0.29 -1.72 0.00 0.00 179.24 177.24 3hqy h ILE 462 N 0.00 0.00 0.00 0.35 2.10 -1.20 -1.33 117.51 117.43 3hqy h ILE 462 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 3hqy h ILE 462 Cb 0.62 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 3hqy h ILE 462 CO 0.00 0.00 -0.03 -0.62 -1.08 0.00 0.00 178.15 176.42 3hqy n GLU 463 N -3.07 0.00 -2.84 2.19 -0.58 -1.11 -4.80 120.64 110.42 3hqy n GLU 463 Ca -0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 3hqy n GLU 463 Cb 0.26 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 3hqy n GLU 463 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hqy s LEU 464 N -3.01 4.54 0.39 -4.62 1.43 -0.50 -4.94 118.68 111.96 3hqy s LEU 464 Ca 0.14 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 3hqy s LEU 464 Cb 0.19 -3.45 0.83 0.00 0.03 0.00 0.00 46.19 43.79 3hqy s LEU 464 CO 0.54 0.05 1.98 -0.26 0.23 0.00 0.00 176.35 178.90 3hqy h PHE 465 N 5.07 0.64 -0.32 0.29 0.04 -1.87 -2.55 116.94 118.24 3hqy h PHE 465 Ca -0.44 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3hqy h PHE 465 Cb 1.21 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.15 3hqy h PHE 465 CO 0.64 0.34 0.00 -2.39 -0.60 0.00 0.00 178.31 176.30 3hqy n HIS 466 N -4.47 0.69 -1.61 -0.55 1.44 -1.26 -4.88 115.22 104.58 3hqy n HIS 466 Ca 0.09 -0.28 -0.45 0.00 -2.01 0.00 0.00 57.72 55.07 3hqy n HIS 466 Cb 0.23 -0.13 -0.02 0.00 0.12 0.00 0.00 29.99 30.19 3hqy n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3hqy n PHE 467 N 0.42 1.47 -4.72 -1.40 7.35 -0.96 -4.64 117.46 114.98 3hqy n PHE 467 Ca 0.12 0.66 -0.33 0.00 -0.76 0.00 0.00 57.45 57.14 3hqy n PHE 467 Cb 0.47 -2.29 -0.13 0.00 0.35 0.00 0.00 39.48 37.88 3hqy n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hqy s ASP 468 N -0.33 4.30 0.00 -2.13 2.15 -1.26 -5.04 116.67 114.36 3hqy s ASP 468 Ca 0.62 -0.18 0.32 0.00 0.43 0.00 0.00 52.55 53.74 3hqy s ASP 468 Cb -0.71 -1.28 1.86 0.00 -0.30 0.00 0.00 42.92 42.49 3hqy s ASP 468 CO 0.57 0.27 2.20 2.30 -0.17 0.00 0.00 175.17 180.35 3hqy n ILE 469 N 2.80 0.00 0.00 4.11 -5.35 -1.26 -5.02 119.36 114.65 3hqy n ILE 469 Ca -0.18 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3hqy n ILE 469 Cb 0.53 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 3hqy n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hqy n GLY 470 N 1.01 -1.60 0.40 3.28 0.00 -1.26 -4.65 105.19 102.36 3hqy n GLY 470 Ca 0.24 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.84 3hqy n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hqy n PRO 471 N -1.86 1.55 -3.02 1.61 -0.04 -1.26 -4.78 135.00 127.20 3hqy n PRO 471 Ca 0.00 -0.80 -0.44 0.00 -0.04 0.00 0.00 63.50 62.22 3hqy n PRO 471 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 3hqy n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hqy s PHE 472 N -1.98 3.04 0.32 0.54 0.08 -1.26 -4.92 117.98 113.79 3hqy s PHE 472 Ca 0.39 -1.12 0.03 0.00 0.12 0.00 0.00 56.93 56.35 3hqy s PHE 472 Cb 0.21 -4.14 0.61 0.00 -0.57 0.00 0.00 43.02 39.12 3hqy s PHE 472 CO 0.33 -1.41 1.91 0.93 -0.10 0.00 0.00 175.22 176.89 3hqy h GLU 473 N 9.01 0.90 0.00 0.44 5.08 -1.94 -2.13 114.58 125.94 3hqy h GLU 473 Ca -0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3hqy h GLU 473 Cb 1.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hqy h GLU 473 CO 1.09 0.60 0.00 0.27 -1.00 0.00 0.00 179.01 179.96 3hqy n ASN 474 N -4.50 0.61 0.16 1.42 2.04 -1.26 -2.03 115.26 111.70 3hqy n ASN 474 Ca 0.14 0.69 0.12 0.00 -0.44 0.00 0.00 54.58 55.08 3hqy n ASN 474 Cb 0.24 -0.80 0.13 0.00 -2.53 0.00 0.00 39.78 36.81 3hqy n ASN 474 CO 0.00 0.00 0.00 0.24 -0.44 0.00 0.00 177.26 177.06 3hqy h MET 475 N 0.00 0.00 -0.58 -3.83 2.86 -1.79 -3.40 114.93 108.19 3hqy h MET 475 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3hqy h MET 475 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3hqy h MET 475 CO 0.00 0.00 0.19 -1.49 1.06 0.00 0.00 176.91 176.67 3hqy h TRP 476 N 0.00 0.93 -0.56 -0.22 6.55 -1.51 -1.31 115.95 119.84 3hqy h TRP 476 Ca 0.00 -0.09 0.06 0.00 0.95 0.00 0.00 58.89 59.81 3hqy h TRP 476 Cb 0.96 -0.27 -0.05 0.00 -0.86 0.00 0.00 29.16 28.94 3hqy h TRP 476 CO 0.00 0.78 0.28 -1.35 -1.05 0.00 0.00 178.44 177.09 3hqy h PRO 477 N 0.82 0.51 -0.14 0.49 0.11 -1.77 -0.49 132.00 131.53 3hqy h PRO 477 Ca 0.19 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3hqy h PRO 477 Cb 0.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3hqy h PRO 477 CO -0.01 0.34 -0.37 0.78 -0.21 0.00 0.00 178.00 178.53 3hqy h GLY 478 N 0.52 0.32 0.98 -0.55 0.00 -1.71 0.83 103.07 103.47 3hqy h GLY 478 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3hqy h GLY 478 CO -0.19 0.27 0.28 -2.22 0.00 0.00 0.00 176.54 174.67 3hqy h ILE 479 N 0.25 1.19 -0.32 2.60 2.04 -0.72 -0.82 117.51 121.74 3hqy h ILE 479 Ca 0.03 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3hqy h ILE 479 Cb 0.77 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3hqy h ILE 479 CO 0.06 0.21 -0.11 0.15 0.00 0.00 0.00 178.15 178.46 3hqy h PHE 480 N 0.73 0.73 -0.69 1.37 3.57 -0.32 -1.80 116.94 120.53 3hqy h PHE 480 Ca 0.19 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3hqy h PHE 480 Cb 0.08 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 3hqy h PHE 480 CO -0.01 0.84 0.45 0.28 -2.23 0.00 0.00 178.31 177.64 3hqy h VAL 481 N 0.41 1.16 -0.30 1.41 2.07 -0.77 0.05 116.25 120.29 3hqy h VAL 481 Ca 0.08 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3hqy h VAL 481 Cb 0.63 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hqy h VAL 481 CO 0.04 0.17 0.18 0.22 0.02 0.00 0.00 177.57 178.20 3hqy h TYR 482 N 0.92 0.38 -0.38 1.57 3.20 -1.01 0.53 116.97 122.19 3hqy h TYR 482 Ca 0.26 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3hqy h TYR 482 Cb -0.08 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3hqy h TYR 482 CO -0.03 0.27 0.22 0.52 -1.64 0.00 0.00 178.16 177.50 3hqy h MET 483 N 0.38 0.43 -0.62 1.82 2.86 -0.86 -1.28 114.93 117.67 3hqy h MET 483 Ca 0.11 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3hqy h MET 483 Cb -0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3hqy h MET 483 CO -0.02 0.29 0.04 0.82 1.06 0.00 0.00 176.91 179.09 3hqy h ILE 484 N 0.45 1.26 -0.99 -1.22 2.04 -0.64 -1.62 117.51 116.80 3hqy h ILE 484 Ca 0.15 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3hqy h ILE 484 Cb 0.01 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3hqy h ILE 484 CO -0.07 0.40 0.65 0.45 0.00 0.00 0.00 178.15 179.58 3hqy h HIS 485 N 0.97 1.23 0.00 1.37 3.86 -0.63 -1.73 115.15 120.22 3hqy h HIS 485 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3hqy h HIS 485 Cb 0.51 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3hqy h HIS 485 CO 0.04 0.75 -0.05 0.00 0.86 0.00 0.00 177.93 179.53 3hqy h ARG 486 N 1.31 0.00 -0.00 2.45 3.08 -0.95 -2.44 114.38 117.82 3hqy h ARG 486 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3hqy h ARG 486 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3hqy h ARG 486 CO -0.09 0.00 -0.88 0.43 -1.07 0.00 0.00 179.97 178.36 3hqy n SER 487 N -3.08 1.01 0.08 7.04 7.64 -0.63 -4.78 113.62 120.90 3hqy n SER 487 Ca 0.04 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.99 3hqy n SER 487 Cb 0.53 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 3hqy n SER 487 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hqy n GLY 489 N 1.64 2.95 0.07 0.00 0.00 -0.92 -4.92 105.19 104.01 3hqy n GLY 489 Ca 0.00 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.28 3hqy n GLY 489 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hqy n THR 490 N -0.93 0.39 -2.62 2.61 -2.24 -1.25 -2.91 114.28 107.32 3hqy n THR 490 Ca 0.00 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 3hqy n THR 490 Cb 0.00 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.67 3hqy n THR 490 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hqy n SER 491 N -1.99 6.45 -0.06 3.42 7.64 -1.26 -4.58 113.62 123.25 3hqy n SER 491 Ca 0.06 -3.71 -0.12 0.00 1.01 0.00 0.00 58.87 56.11 3hqy n SER 491 Cb 0.40 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 3hqy n SER 491 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hqy s PHE 493 N -2.23 1.23 -0.01 0.00 0.08 -1.26 -5.05 117.98 110.74 3hqy s PHE 493 Ca -0.17 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 3hqy s PHE 493 Cb 0.06 -0.66 -0.07 0.00 -0.57 0.00 0.00 43.02 41.78 3hqy s PHE 493 CO 0.23 0.07 1.73 -2.00 -0.10 0.00 0.00 175.22 175.15 3hqy s GLU 494 N -2.50 4.17 0.20 0.44 -6.30 -1.26 -4.92 118.70 108.53 3hqy s GLU 494 Ca 0.05 2.31 -0.12 0.00 -2.50 0.00 0.00 54.97 54.71 3hqy s GLU 494 Cb -0.05 -3.97 0.24 0.00 0.00 0.00 0.00 34.13 30.35 3hqy s GLU 494 CO 0.02 -0.85 1.66 1.25 0.02 0.00 0.00 175.26 177.36 3hqy h LEU 495 N 10.06 -0.30 -0.64 2.70 5.85 -1.99 -1.32 115.31 129.67 3hqy h LEU 495 Ca -0.42 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3hqy h LEU 495 Cb 1.20 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 3hqy h LEU 495 CO 0.95 -0.12 0.14 -0.08 -0.34 0.00 0.00 178.44 178.99 3hqy h GLU 496 N 0.09 1.03 -0.25 1.25 4.81 -2.00 -1.45 114.58 118.06 3hqy h GLU 496 Ca 0.29 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3hqy h GLU 496 Cb 0.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3hqy h GLU 496 CO -0.50 0.93 0.08 -0.22 -0.73 0.00 0.00 179.01 178.57 3hqy h LYS 497 N 0.95 0.39 -0.72 1.92 3.64 -1.74 -2.28 116.57 118.72 3hqy h LYS 497 Ca 0.20 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3hqy h LYS 497 Cb 0.38 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3hqy h LYS 497 CO 0.00 0.46 0.45 1.25 -2.27 0.00 0.00 179.45 179.34 3hqy h LEU 498 N 0.24 0.72 -0.42 5.20 5.85 -1.06 -0.91 115.31 124.95 3hqy h LEU 498 Ca 0.08 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3hqy h LEU 498 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3hqy h LEU 498 CO -0.00 0.49 0.05 0.00 -0.34 0.00 0.00 178.44 178.65 3hqy h ARG 500 N 0.55 0.64 -0.12 0.00 2.43 -1.21 -1.00 114.38 115.67 3hqy h ARG 500 Ca 0.12 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3hqy h ARG 500 Cb 0.40 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hqy h ARG 500 CO 0.01 0.42 0.06 0.35 -1.51 0.00 0.00 179.97 179.30 3hqy h PHE 501 N 0.65 0.16 -0.64 2.20 3.57 -0.81 -1.60 116.94 120.48 3hqy h PHE 501 Ca 0.21 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3hqy h PHE 501 Cb -0.01 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3hqy h PHE 501 CO -0.06 0.18 0.36 0.82 -2.23 0.00 0.00 178.31 177.39 3hqy h ILE 502 N 0.09 0.99 -0.09 1.41 2.04 -0.72 -0.72 117.51 120.52 3hqy h ILE 502 Ca 0.04 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 3hqy h ILE 502 Cb 0.07 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3hqy h ILE 502 CO -0.01 0.12 -0.55 0.24 0.00 0.00 0.00 178.15 177.96 3hqy h MET 503 N 0.68 0.25 -0.06 2.37 2.86 -1.00 -1.10 114.93 118.94 3hqy h MET 503 Ca 0.28 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 3hqy h MET 503 Cb 0.15 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3hqy h MET 503 CO -0.16 0.74 -0.59 0.77 1.06 0.00 0.00 176.91 178.72 3hqy h SER 504 N 0.20 0.21 -0.12 1.22 0.02 -0.84 -2.29 113.55 111.94 3hqy h SER 504 Ca 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3hqy h SER 504 Cb 1.03 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3hqy h SER 504 CO 0.09 0.75 0.03 0.58 -1.14 0.00 0.00 176.83 177.14 3hqy h VAL 505 N 0.14 1.21 -0.45 2.27 2.07 -0.83 -2.86 116.25 117.80 3hqy h VAL 505 Ca -0.00 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3hqy h VAL 505 Cb 1.08 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.16 3hqy h VAL 505 CO 0.09 0.19 -0.12 0.50 0.02 0.00 0.00 177.57 178.25 3hqy h LYS 506 N -0.01 -0.00 0.00 1.57 3.64 -1.15 -1.57 116.57 119.05 3hqy h LYS 506 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3hqy h LYS 506 Cb 0.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hqy h LYS 506 CO 0.00 -0.00 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.93 3hqy h LYS 507 N -0.00 0.00 -0.43 1.90 3.64 -1.38 -1.72 116.57 118.57 3hqy h LYS 507 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3hqy h LYS 507 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hqy h LYS 507 CO -0.46 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 176.83 3hqy n ASN 508 N -3.85 3.35 -4.85 4.20 3.02 -0.62 -4.83 115.26 111.68 3hqy n ASN 508 Ca -0.03 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 3hqy n ASN 508 Cb 0.12 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 3hqy n ASN 508 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hqy s TYR 509 N -1.44 3.42 0.31 3.10 1.51 -0.65 -1.21 117.35 122.39 3hqy s TYR 509 Ca 0.40 1.16 0.06 0.00 -1.01 0.00 0.00 57.07 57.68 3hqy s TYR 509 Cb 0.23 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 3hqy s TYR 509 CO 0.31 0.17 0.39 1.03 -1.11 0.00 0.00 175.55 176.33 3hqy s ARG 510 N -2.80 3.08 -1.43 -0.62 0.52 -1.26 -4.90 118.95 111.53 3hqy s ARG 510 Ca 0.51 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 3hqy s ARG 510 Cb -0.11 -2.74 0.06 0.00 0.52 0.00 0.00 34.95 32.68 3hqy s ARG 510 CO 0.19 0.17 2.30 0.54 0.02 0.00 0.00 175.30 178.51 3hqy n ARG 511 N -1.50 3.45 -3.94 3.54 1.74 -1.26 -4.51 116.66 114.19 3hqy n ARG 511 Ca -0.03 -2.89 -0.21 0.00 -0.77 0.00 0.00 57.85 53.95 3hqy n ARG 511 Cb 0.58 -3.01 -0.03 0.00 -1.02 0.00 0.00 32.46 28.98 3hqy n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hqy s VAL 512 N 1.67 4.27 0.39 1.55 -7.23 -1.26 -5.04 120.40 114.75 3hqy s VAL 512 Ca 0.50 -1.29 0.06 0.00 -1.81 0.00 0.00 61.98 59.44 3hqy s VAL 512 Cb 0.14 -3.41 0.27 0.00 0.56 0.00 0.00 36.38 33.94 3hqy s VAL 512 CO -0.06 -0.28 2.04 -0.65 -0.31 0.00 0.00 175.10 175.84 3hqy h PRO 513 N 1.31 0.64 0.00 4.82 0.11 -1.91 -3.42 132.00 133.56 3hqy h PRO 513 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hqy h PRO 513 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hqy h PRO 513 CO 0.59 0.42 -0.21 0.98 -0.21 0.00 0.00 178.00 179.58 3hqy n TYR 514 N -4.46 -0.75 -0.94 0.65 9.36 -1.26 -4.83 117.16 114.92 3hqy n TYR 514 Ca 0.05 0.13 -0.28 0.00 3.32 0.00 0.00 57.90 61.12 3hqy n TYR 514 Cb 0.07 0.26 -0.02 0.00 -0.63 0.00 0.00 39.34 39.02 3hqy n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hqy n HIS 515 N -3.21 1.74 -4.40 2.98 8.25 -1.26 -4.37 115.22 114.95 3hqy n HIS 515 Ca 0.00 -2.30 -0.17 0.00 -0.26 0.00 0.00 57.72 54.98 3hqy n HIS 515 Cb 0.11 -1.93 -0.04 0.00 1.12 0.00 0.00 29.99 29.25 3hqy n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hqy n ASN 516 N 4.22 2.66 -0.32 0.41 0.23 -1.26 -4.61 115.26 116.59 3hqy n ASN 516 Ca 0.55 -2.21 0.01 0.00 -0.53 0.00 0.00 54.58 52.40 3hqy n ASN 516 Cb 0.18 0.22 0.19 0.00 -2.08 0.00 0.00 39.78 38.28 3hqy n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hqy h TRP 517 N 1.16 1.12 -0.71 -2.53 -0.00 -1.88 -2.35 115.95 110.76 3hqy h TRP 517 Ca -0.23 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.70 3hqy h TRP 517 Cb 0.69 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.16 29.44 3hqy h TRP 517 CO 0.00 0.66 0.47 -0.22 -0.00 0.00 0.00 178.44 179.34 3hqy h LYS 518 N 1.16 0.92 -0.71 2.65 3.64 -1.96 -2.22 116.57 120.05 3hqy h LYS 518 Ca 0.36 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3hqy h LYS 518 Cb -0.00 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3hqy h LYS 518 CO -0.11 0.61 0.38 1.25 -2.27 0.00 0.00 179.45 179.31 3hqy h HIS 519 N 0.95 0.99 -0.38 1.91 2.76 -1.64 -1.15 115.15 118.59 3hqy h HIS 519 Ca 0.27 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 3hqy h HIS 519 Cb -0.09 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.53 3hqy h HIS 519 CO -0.03 0.71 0.21 0.00 -1.30 0.00 0.00 177.93 177.52 3hqy h ALA 520 N 1.19 0.47 -0.02 5.26 0.00 -0.99 -0.19 119.26 124.99 3hqy h ALA 520 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 3hqy h ALA 520 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hqy h ALA 520 CO -0.04 -0.14 -0.71 0.28 0.00 0.00 0.00 179.25 178.64 3hqy h VAL 521 N 0.43 1.47 -0.51 0.00 2.07 -1.30 -1.85 116.25 116.55 3hqy h VAL 521 Ca 0.15 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 65.27 3hqy h VAL 521 Cb 0.03 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3hqy h VAL 521 CO -0.08 0.67 0.04 0.74 0.02 0.00 0.00 177.57 178.96 3hqy h THR 522 N 0.07 1.26 -0.45 2.57 2.02 -0.71 -0.54 112.91 117.13 3hqy h THR 522 Ca -0.02 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3hqy h THR 522 Cb 1.26 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3hqy h THR 522 CO 0.10 0.36 0.02 0.58 0.37 0.00 0.00 175.52 176.96 3hqy h VAL 523 N 0.75 1.26 -0.87 3.16 2.07 -0.97 -1.62 116.25 120.03 3hqy h VAL 523 Ca 0.15 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3hqy h VAL 523 Cb 0.47 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3hqy h VAL 523 CO 0.02 0.35 0.57 0.00 0.02 0.00 0.00 177.57 178.53 3hqy h ALA 524 N 0.92 1.46 -0.37 1.67 0.00 -1.16 -2.32 119.26 119.46 3hqy h ALA 524 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hqy h ALA 524 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hqy h ALA 524 CO 0.02 0.45 0.10 1.25 0.00 0.00 0.00 179.25 181.06 3hqy h HIS 525 N 1.08 0.62 -0.82 0.00 6.17 -0.60 -0.24 115.15 121.36 3hqy h HIS 525 Ca 0.35 -0.07 0.08 0.00 0.71 0.00 0.00 60.37 61.44 3hqy h HIS 525 Cb 0.04 -0.18 -0.07 0.00 2.52 0.00 0.00 27.41 29.72 3hqy h HIS 525 CO -0.00 0.61 0.48 0.00 0.71 0.00 0.00 177.93 179.72 3hqy h MET 527 N 0.83 0.59 -0.57 0.00 -1.53 -1.03 -0.74 114.93 112.48 3hqy h MET 527 Ca 0.38 -0.17 0.11 0.00 -3.44 0.00 0.00 59.70 56.59 3hqy h MET 527 Cb 0.28 -0.06 -0.11 0.00 -0.55 0.00 0.00 31.60 31.16 3hqy h MET 527 CO -0.22 0.68 -0.19 -0.92 0.14 0.00 0.00 176.91 176.40 3hqy h TYR 528 N 0.42 -0.45 -0.55 1.39 3.20 -0.63 -0.37 116.97 119.98 3hqy h TYR 528 Ca 0.10 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3hqy h TYR 528 Cb 0.38 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3hqy h TYR 528 CO 0.03 -0.29 -0.08 0.00 -1.64 0.00 0.00 178.16 176.18 3hqy h ALA 529 N 1.44 0.81 -0.15 1.82 0.00 -0.66 0.14 119.26 122.65 3hqy h ALA 529 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hqy h ALA 529 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hqy h ALA 529 CO -0.62 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.21 3hqy h ILE 530 N 0.91 1.08 -0.35 0.00 2.04 -0.83 -2.74 117.51 117.63 3hqy h ILE 530 Ca 0.15 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3hqy h ILE 530 Cb 0.64 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3hqy h ILE 530 CO 0.04 0.08 0.01 -0.07 0.00 0.00 0.00 178.15 178.21 3hqy h LEU 531 N 0.17 0.60 -1.45 1.44 3.38 -0.86 -2.23 115.31 116.35 3hqy h LEU 531 Ca 0.05 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 57.88 3hqy h LEU 531 Cb 0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3hqy h LEU 531 CO -0.01 0.75 0.55 1.56 0.09 0.00 0.00 178.44 181.38 3hqy h GLN 532 N 0.42 0.51 -0.42 1.13 1.08 -1.01 -2.40 115.11 114.43 3hqy h GLN 532 Ca 0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3hqy h GLN 532 Cb 0.44 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hqy h GLN 532 CO 0.02 0.34 0.00 0.09 -0.95 0.00 0.00 178.83 178.33 3hqy n ASN 533 N -4.52 3.27 -2.65 1.46 3.02 -1.02 -4.28 115.26 110.55 3hqy n ASN 533 Ca 0.16 -1.96 -0.14 0.00 -0.03 0.00 0.00 54.58 52.61 3hqy n ASN 533 Cb 0.53 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3hqy n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hqy n ASN 534 N 1.35 2.28 -4.77 6.41 3.02 -0.87 -4.69 115.26 117.98 3hqy n ASN 534 Ca 0.20 -2.99 -0.40 0.00 -0.03 0.00 0.00 54.58 51.35 3hqy n ASN 534 Cb 0.57 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3hqy n ASN 534 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hqy s ASN 535 N -3.20 5.90 0.00 6.41 3.84 -1.21 -2.94 114.94 123.75 3hqy s ASN 535 Ca 0.33 2.94 0.00 0.00 0.21 0.00 0.00 52.86 56.34 3hqy s ASN 535 Cb 0.44 -2.66 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 3hqy s ASN 535 CO -0.03 -1.16 0.00 0.61 -2.79 0.00 0.00 177.10 173.73 3hqy n GLY 536 N 0.57 1.27 0.12 1.21 0.00 -1.26 -4.91 105.19 102.19 3hqy n GLY 536 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3hqy n GLY 536 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hqy h LEU 537 N 0.00 0.24 -9.54 0.99 3.38 -1.92 -3.47 115.31 104.99 3hqy h LEU 537 Ca 0.00 -0.76 -0.66 0.00 0.09 0.00 0.00 57.88 56.54 3hqy h LEU 537 Cb 0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 3hqy h LEU 537 CO 0.00 1.60 -0.55 -0.36 0.09 0.00 0.00 178.44 179.21 3hqy s PHE 538 N -2.44 3.37 0.81 1.13 0.08 -1.26 -5.10 117.98 114.57 3hqy s PHE 538 Ca -0.23 0.31 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 3hqy s PHE 538 Cb 0.05 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.76 3hqy s PHE 538 CO 0.70 0.59 1.09 0.95 -0.10 0.00 0.00 175.22 178.46 3hqy s THR 539 N -1.08 3.13 0.26 0.64 -4.23 -1.26 -4.82 115.64 108.28 3hqy s THR 539 Ca 0.18 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3hqy s THR 539 Cb -0.12 -2.91 0.24 0.00 1.34 0.00 0.00 72.50 71.06 3hqy s THR 539 CO 0.08 -0.48 1.82 0.44 -0.54 0.00 0.00 174.62 175.94 3hqy h ASP 540 N -1.24 0.76 -0.44 3.99 3.32 -1.99 -0.91 116.42 119.92 3hqy h ASP 540 Ca -0.46 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 3hqy h ASP 540 Cb 1.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3hqy h ASP 540 CO 0.54 0.41 -0.17 0.25 -1.72 0.00 0.00 179.24 178.55 3hqy h LEU 541 N 0.86 0.92 -0.62 1.55 5.85 -1.98 -1.24 115.31 120.65 3hqy h LEU 541 Ca 0.44 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hqy h LEU 541 Cb 0.44 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hqy h LEU 541 CO -0.26 1.10 0.32 -0.33 -0.34 0.00 0.00 178.44 178.93 3hqy h GLU 542 N 0.73 0.87 -0.31 1.25 5.08 -1.78 -1.00 114.58 119.42 3hqy h GLU 542 Ca 0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3hqy h GLU 542 Cb 0.74 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hqy h GLU 542 CO 0.06 0.68 -0.05 0.00 -1.00 0.00 0.00 179.01 178.69 3hqy h ARG 543 N 0.84 0.58 0.02 2.33 3.08 -0.94 0.18 114.38 120.47 3hqy h ARG 543 Ca 0.21 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3hqy h ARG 543 Cb 0.08 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3hqy h ARG 543 CO -0.03 0.76 -0.26 0.87 -1.07 0.00 0.00 179.97 180.24 3hqy h LYS 544 N 0.36 -0.40 -0.77 0.04 1.57 -1.20 -2.08 116.57 114.09 3hqy h LYS 544 Ca 0.08 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3hqy h LYS 544 Cb 0.53 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3hqy h LYS 544 CO 0.03 -0.27 0.49 0.78 -0.57 0.00 0.00 179.45 179.91 3hqy h GLY 545 N -0.41 1.12 1.39 3.86 0.00 -0.85 -2.24 103.07 105.93 3hqy h GLY 545 Ca 0.06 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 3hqy h GLY 545 CO -0.22 0.31 -0.58 1.41 0.00 0.00 0.00 176.54 177.47 3hqy h LEU 546 N 0.95 0.72 -0.40 3.11 3.38 -0.45 0.30 115.31 122.92 3hqy h LEU 546 Ca 0.31 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3hqy h LEU 546 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hqy h LEU 546 CO -0.12 1.14 -0.29 -0.07 0.09 0.00 0.00 178.44 179.19 3hqy h LEU 547 N 0.48 0.95 -0.55 1.67 3.38 -1.23 -0.94 115.31 119.07 3hqy h LEU 547 Ca 0.00 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 3hqy h LEU 547 Cb 1.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3hqy h LEU 547 CO 0.11 1.19 0.05 0.40 0.09 0.00 0.00 178.44 180.28 3hqy h ILE 548 N 0.72 1.26 -0.66 1.22 1.08 -1.27 -2.18 117.51 117.68 3hqy h ILE 548 Ca 0.08 -1.04 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 3hqy h ILE 548 Cb 0.88 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 3hqy h ILE 548 CO 0.08 0.37 0.39 0.00 -0.69 0.00 0.00 178.15 178.30 3hqy h ALA 549 N 0.98 0.87 -0.64 1.87 0.00 -0.26 -1.52 119.26 120.55 3hqy h ALA 549 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hqy h ALA 549 Cb 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hqy h ALA 549 CO 0.02 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.63 3hqy h LEU 551 N 0.91 0.36 -1.72 0.00 5.85 -0.95 -2.98 115.31 116.78 3hqy h LEU 551 Ca 0.21 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hqy h LEU 551 Cb 0.23 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hqy h LEU 551 CO -0.01 0.44 -0.11 0.00 -0.34 0.00 0.00 178.44 178.42 3hqy h HIS 553 N 4.17 0.00 -0.04 0.00 2.07 -0.77 -2.45 115.15 118.12 3hqy h HIS 553 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3hqy h HIS 553 Cb 0.94 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.91 3hqy h HIS 553 CO 0.00 0.00 -0.21 -0.25 -3.07 0.00 0.00 177.93 174.40 3hqy n ASP 554 N -2.54 2.20 -4.63 3.10 8.00 -1.26 -4.85 116.55 116.56 3hqy n ASP 554 Ca 0.02 -3.47 -0.48 0.00 0.71 0.00 0.00 54.79 51.57 3hqy n ASP 554 Cb 0.28 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 3hqy n ASP 554 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hqy n LEU 555 N -1.22 2.44 -2.22 0.64 4.77 -0.93 -1.82 117.00 118.67 3hqy n LEU 555 Ca 0.19 1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 57.10 3hqy n LEU 555 Cb 0.71 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3hqy n LEU 555 CO 0.01 -0.70 -0.17 -0.67 -1.33 0.00 0.00 177.39 174.53 3hqy n ASP 556 N 2.69 -5.33 -4.78 -1.43 2.03 -0.35 -4.41 116.55 104.97 3hqy n ASP 556 Ca 0.16 -0.08 -0.36 0.00 0.52 0.00 0.00 54.79 55.03 3hqy n ASP 556 Cb 0.26 -4.34 -0.03 0.00 -0.72 0.00 0.00 41.12 36.29 3hqy n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqy s HIS 557 N -2.95 3.10 -2.07 -0.67 2.46 -0.76 -4.96 115.29 109.44 3hqy s HIS 557 Ca 0.07 1.60 0.18 0.00 0.47 0.00 0.00 55.06 57.38 3hqy s HIS 557 Cb -0.03 -3.21 0.11 0.00 -0.13 0.00 0.00 32.58 29.32 3hqy s HIS 557 CO 0.09 -0.96 1.02 0.54 -2.47 0.00 0.00 174.74 172.97 3hqy n ARG 558 N -0.33 1.50 -0.79 2.88 3.00 -1.26 -4.49 116.66 117.17 3hqy n ARG 558 Ca 0.06 -1.40 0.00 0.00 -0.01 0.00 0.00 57.85 56.50 3hqy n ARG 558 Cb 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.62 3hqy n ARG 558 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hqy n GLY 559 N 1.04 0.54 3.29 -0.13 0.00 -1.26 -5.02 105.19 103.65 3hqy n GLY 559 Ca 0.10 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3hqy n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqy s PHE 560 N -2.00 1.85 0.66 1.61 0.08 -1.26 -4.72 117.98 114.20 3hqy s PHE 560 Ca 0.00 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 3hqy s PHE 560 Cb 0.00 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3hqy s PHE 560 CO 0.00 0.20 1.05 -1.54 -0.10 0.00 0.00 175.22 174.83 3hqy s SER 561 N -1.80 5.78 0.38 1.36 1.04 -1.26 -4.91 113.70 114.28 3hqy s SER 561 Ca 0.07 1.48 0.11 0.00 0.48 0.00 0.00 55.95 58.10 3hqy s SER 561 Cb -0.10 -2.44 0.89 0.00 0.10 0.00 0.00 66.02 64.47 3hqy s SER 561 CO 0.04 -1.17 1.88 0.78 0.98 0.00 0.00 173.24 175.75 3hqy h ASN 562 N -0.53 0.58 -0.54 7.02 2.35 -2.00 -1.74 115.58 120.72 3hqy h ASN 562 Ca -0.44 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.23 3hqy h ASN 562 Cb 1.20 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 3hqy h ASN 562 CO 0.60 0.29 -0.12 -1.28 -1.65 0.00 0.00 177.43 175.28 3hqy h SER 563 N 0.61 1.04 -0.53 5.81 0.87 -2.00 -1.48 113.55 117.86 3hqy h SER 563 Ca 0.42 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hqy h SER 563 Cb 0.75 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3hqy h SER 563 CO -0.18 1.15 0.25 0.22 -0.53 0.00 0.00 176.83 177.74 3hqy h TYR 564 N 0.91 0.78 -0.79 2.24 3.20 -1.73 -1.42 116.97 120.16 3hqy h TYR 564 Ca 0.14 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hqy h TYR 564 Cb 0.69 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3hqy h TYR 564 CO 0.05 0.61 0.42 -0.07 -1.64 0.00 0.00 178.16 177.53 3hqy h LEU 565 N 0.72 0.99 -0.18 2.82 4.07 -1.07 -0.00 115.31 122.66 3hqy h LEU 565 Ca 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 3hqy h LEU 565 Cb 0.13 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 3hqy h LEU 565 CO -0.02 0.80 0.05 -0.61 -1.08 0.00 0.00 178.44 177.58 3hqy h GLN 566 N 1.10 0.28 -0.35 1.13 4.15 -0.89 -0.94 115.11 119.60 3hqy h GLN 566 Ca 0.28 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 3hqy h GLN 566 Cb 0.05 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3hqy h GLN 566 CO -0.04 0.41 -0.11 0.87 -1.93 0.00 0.00 178.83 178.03 3hqy h LYS 567 N 0.10 0.60 0.00 1.69 1.79 -1.01 -1.91 116.57 117.83 3hqy h LYS 567 Ca 0.06 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3hqy h LYS 567 Cb 0.25 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3hqy h LYS 567 CO -0.00 0.70 -0.17 0.35 -1.08 0.00 0.00 179.45 179.25 3hqy h PHE 568 N 0.55 0.00 -2.97 -1.35 3.57 -0.87 -3.47 116.94 112.40 3hqy h PHE 568 Ca 0.10 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 3hqy h PHE 568 Cb 0.52 0.00 0.05 0.00 2.79 0.00 0.00 35.95 39.31 3hqy h PHE 568 CO 0.02 0.17 -0.33 -3.47 -2.23 0.00 0.00 178.31 172.47 3hqy n ASP 569 N -3.37 -4.05 -4.77 0.41 2.03 -0.72 -5.00 116.55 101.08 3hqy n ASP 569 Ca -0.00 -0.21 -0.40 0.00 0.52 0.00 0.00 54.79 54.70 3hqy n ASP 569 Cb 0.38 -2.79 0.01 0.00 -0.72 0.00 0.00 41.12 38.00 3hqy n ASP 569 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqy s HIS 570 N -3.01 2.50 0.42 -0.67 5.65 -0.43 -4.90 115.29 114.85 3hqy s HIS 570 Ca 0.22 1.21 0.18 0.00 0.25 0.00 0.00 55.06 56.92 3hqy s HIS 570 Cb -0.10 -3.98 1.09 0.00 -1.18 0.00 0.00 32.58 28.40 3hqy s HIS 570 CO 0.28 -3.01 1.85 -1.35 -0.65 0.00 0.00 174.74 171.86 3hqy h PRO 571 N 2.65 0.39 -0.24 2.88 0.11 -1.94 -1.49 132.00 134.36 3hqy h PRO 571 Ca -0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hqy h PRO 571 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hqy h PRO 571 CO 0.63 0.26 0.12 -0.07 -0.21 0.00 0.00 178.00 178.73 3hqy h LEU 572 N 0.41 0.29 -0.91 2.35 3.38 -1.95 -2.10 115.31 116.77 3hqy h LEU 572 Ca 0.48 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 3hqy h LEU 572 Cb 1.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3hqy h LEU 572 CO -0.19 0.24 -0.22 0.00 0.09 0.00 0.00 178.44 178.37 3hqy h ALA 573 N 1.81 0.97 0.09 1.53 0.00 -1.47 0.20 119.26 122.38 3hqy h ALA 573 Ca 0.09 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 3hqy h ALA 573 Cb 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hqy h ALA 573 CO -0.01 0.27 -1.16 0.00 0.00 0.00 0.00 179.25 178.35 3hqy h ALA 574 N 1.78 0.13 -0.19 0.00 0.00 -1.41 -3.29 119.26 116.28 3hqy h ALA 574 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 3hqy h ALA 574 Cb 0.83 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hqy h ALA 574 CO 0.03 0.79 -0.06 1.25 0.00 0.00 0.00 179.25 181.27 3hqy h LEU 575 N 0.21 0.37 -7.50 0.00 5.85 -1.12 -3.41 115.31 109.71 3hqy h LEU 575 Ca -0.14 -0.38 -0.63 0.00 0.84 0.00 0.00 57.88 57.57 3hqy h LEU 575 Cb 1.83 -0.10 -0.40 0.00 0.37 0.00 0.00 40.66 42.36 3hqy h LEU 575 CO 0.21 0.67 -0.74 -0.31 -0.34 0.00 0.00 178.44 177.93 3hqy s TYR 576 N -4.70 2.95 0.18 1.25 2.02 0.67 -5.01 117.35 114.71 3hqy s TYR 576 Ca -0.14 -2.47 -0.03 0.00 -0.37 0.00 0.00 57.07 54.06 3hqy s TYR 576 Cb 0.06 -2.39 0.08 0.00 -0.40 0.00 0.00 41.96 39.31 3hqy s TYR 576 CO 0.74 -0.91 1.47 0.66 -1.57 0.00 0.00 175.55 175.94 3hqy h SER 577 N 7.80 0.60 -3.50 2.29 4.64 -1.80 -3.37 113.55 120.20 3hqy h SER 577 Ca -0.09 -0.34 -0.67 0.00 -0.47 0.00 0.00 61.79 60.22 3hqy h SER 577 Cb 1.02 -0.17 -0.19 0.00 -0.31 0.00 0.00 62.40 62.75 3hqy h SER 577 CO 0.49 1.07 -0.82 0.42 -0.87 0.00 0.00 176.83 177.12 3hqy s THR 578 N -3.87 2.54 -1.40 2.95 -4.23 -1.26 -4.70 115.64 105.66 3hqy s THR 578 Ca -0.07 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 58.59 3hqy s THR 578 Cb 0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3hqy s THR 578 CO 0.84 -0.01 0.36 -1.20 -0.54 0.00 0.00 174.62 174.07 3hqy n SER 579 N 0.54 -0.80 0.19 3.99 7.64 -1.26 -4.77 113.62 119.15 3hqy n SER 579 Ca -0.15 -1.12 -0.14 0.00 1.01 0.00 0.00 58.87 58.47 3hqy n SER 579 Cb 0.54 -2.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.14 3hqy n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hqy h THR 580 N -1.91 0.40 -0.33 0.44 2.02 -1.84 -0.54 112.91 111.15 3hqy h THR 580 Ca -0.65 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 3hqy h THR 580 Cb 1.38 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3hqy h THR 580 CO 0.62 0.00 -0.16 0.24 0.37 0.00 0.00 175.52 176.59 3hqy h MET 581 N -0.60 0.59 -0.35 6.66 2.86 -1.89 -2.54 114.93 119.65 3hqy h MET 581 Ca -0.01 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 3hqy h MET 581 Cb 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3hqy h MET 581 CO -0.06 0.73 -0.10 0.93 1.06 0.00 0.00 176.91 179.47 3hqy h GLU 582 N 0.53 0.69 -0.97 1.72 3.07 -1.75 0.33 114.58 118.20 3hqy h GLU 582 Ca 0.09 -0.27 0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3hqy h GLU 582 Cb 0.59 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 3hqy h GLU 582 CO 0.04 0.86 0.63 1.96 -1.40 0.00 0.00 179.01 181.09 3hqy h GLN 583 N 0.48 1.02 -0.33 2.33 4.20 -1.01 -1.74 115.11 120.07 3hqy h GLN 583 Ca 0.09 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3hqy h GLN 583 Cb 0.61 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hqy h GLN 583 CO 0.04 0.68 -0.19 1.25 -0.67 0.00 0.00 178.83 179.93 3hqy h HIS 584 N 1.05 0.82 -0.63 2.96 2.76 -0.96 -1.35 115.15 119.80 3hqy h HIS 584 Ca 0.45 -0.21 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 3hqy h HIS 584 Cb 0.32 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 3hqy h HIS 584 CO -0.00 0.93 0.30 0.45 -1.30 0.00 0.00 177.93 178.31 3hqy h HIS 585 N 0.47 0.54 -0.68 5.26 3.86 0.25 0.01 115.15 124.85 3hqy h HIS 585 Ca 0.07 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3hqy h HIS 585 Cb 0.73 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 3hqy h HIS 585 CO 0.06 0.21 0.13 0.35 0.86 0.00 0.00 177.93 179.54 3hqy h PHE 586 N 0.54 1.18 -0.78 2.45 3.57 -1.20 -1.25 116.94 121.45 3hqy h PHE 586 Ca 0.30 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hqy h PHE 586 Cb 0.29 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3hqy h PHE 586 CO -0.12 0.98 0.50 1.03 -2.23 0.00 0.00 178.31 178.47 3hqy h SER 587 N 1.04 0.84 -0.69 0.41 0.87 -0.49 -1.96 113.55 113.58 3hqy h SER 587 Ca 0.21 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3hqy h SER 587 Cb 0.42 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3hqy h SER 587 CO 0.01 0.59 0.19 1.56 -0.53 0.00 0.00 176.83 178.65 3hqy h GLN 588 N 0.99 1.09 -0.22 2.24 1.08 -0.76 -1.27 115.11 118.27 3hqy h GLN 588 Ca 0.30 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3hqy h GLN 588 Cb -0.03 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 3hqy h GLN 588 CO -0.09 0.96 0.01 1.15 -0.95 0.00 0.00 178.83 179.90 3hqy h THR 589 N 1.03 0.85 -0.54 -0.54 2.02 -0.77 -1.36 112.91 113.59 3hqy h THR 589 Ca 0.22 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 3hqy h THR 589 Cb 0.34 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3hqy h THR 589 CO -0.00 0.01 0.15 0.58 0.37 0.00 0.00 175.52 176.63 3hqy h VAL 590 N 0.08 1.24 -0.42 3.16 2.07 -1.14 -1.82 116.25 119.42 3hqy h VAL 590 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3hqy h VAL 590 Cb 0.13 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hqy h VAL 590 CO -0.17 0.31 0.10 0.28 0.02 0.00 0.00 177.57 178.11 3hqy h SER 591 N 0.76 0.57 -0.23 0.57 0.02 -0.93 -1.05 113.55 113.26 3hqy h SER 591 Ca 0.17 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3hqy h SER 591 Cb 0.32 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3hqy h SER 591 CO -0.00 0.57 -0.27 0.40 -1.14 0.00 0.00 176.83 176.39 3hqy h ILE 592 N 0.60 1.32 -0.39 3.27 2.04 -0.89 -2.91 117.51 120.55 3hqy h ILE 592 Ca 0.14 -1.45 0.11 0.00 1.00 0.00 0.00 64.86 64.65 3hqy h ILE 592 Cb 0.23 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3hqy h ILE 592 CO -0.00 0.45 0.28 -0.07 0.00 0.00 0.00 178.15 178.81 3hqy h LEU 593 N 0.28 0.04 0.00 1.44 3.38 -0.84 -2.54 115.31 117.07 3hqy h LEU 593 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hqy h LEU 593 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hqy h LEU 593 CO 0.06 0.02 -0.25 0.00 0.09 0.00 0.00 178.44 178.36 3hqy n GLN 594 N -4.43 0.16 -1.86 1.13 6.02 -0.44 -3.24 117.38 114.71 3hqy n GLN 594 Ca 0.06 0.09 -0.37 0.00 -0.01 0.00 0.00 57.00 56.77 3hqy n GLN 594 Cb 0.44 -1.64 0.05 0.00 1.02 0.00 0.00 30.24 30.11 3hqy n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hqy s LEU 595 N -3.78 3.68 0.14 1.08 1.43 -0.96 -4.90 118.68 115.37 3hqy s LEU 595 Ca 0.10 2.57 -0.32 0.00 -1.03 0.00 0.00 54.13 55.45 3hqy s LEU 595 Cb 0.15 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 3hqy s LEU 595 CO 0.63 -1.74 1.76 1.21 0.23 0.00 0.00 176.35 178.44 3hqy n GLU 596 N -1.56 2.63 -0.96 1.70 2.13 -1.26 -1.33 120.64 121.99 3hqy n GLU 596 Ca 0.14 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.91 3hqy n GLU 596 Cb 0.48 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.38 3hqy n GLU 596 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hqy n GLY 597 N 4.01 0.38 0.87 8.31 0.00 -1.26 -4.90 105.19 112.60 3hqy n GLY 597 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3hqy n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqy n HIS 598 N -2.50 0.19 -2.54 1.61 8.25 -0.44 -4.77 115.22 115.02 3hqy n HIS 598 Ca 0.00 -0.12 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 3hqy n HIS 598 Cb 0.15 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3hqy n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqy s ASN 599 N -1.49 6.51 0.07 0.41 3.84 -1.20 -4.56 114.94 118.52 3hqy s ASN 599 Ca 0.27 -1.61 0.13 0.00 0.21 0.00 0.00 52.86 51.86 3hqy s ASN 599 Cb 0.18 -2.57 0.59 0.00 -0.55 0.00 0.00 41.25 38.89 3hqy s ASN 599 CO 0.25 -1.50 1.42 2.30 -2.79 0.00 0.00 177.10 176.78 3hqy n ILE 600 N 6.84 1.21 -1.03 -5.21 -5.35 -1.26 -2.15 119.36 112.41 3hqy n ILE 600 Ca 0.36 0.34 0.04 0.00 -0.27 0.00 0.00 62.75 63.23 3hqy n ILE 600 Cb 0.50 -1.21 0.30 0.00 -1.74 0.00 0.00 39.64 37.49 3hqy n ILE 600 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hqy n PHE 601 N -1.70 1.52 0.23 4.28 3.72 -1.26 -4.72 117.46 119.53 3hqy n PHE 601 Ca 0.02 -0.97 0.10 0.00 -0.05 0.00 0.00 57.45 56.55 3hqy n PHE 601 Cb 0.13 -0.45 0.53 0.00 -0.94 0.00 0.00 39.48 38.75 3hqy n PHE 601 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hqy h SER 602 N 2.43 0.00 1.18 4.37 4.64 -1.84 -2.65 113.55 121.68 3hqy h SER 602 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hqy h SER 602 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3hqy h SER 602 CO 0.40 0.22 -0.08 0.35 -0.87 0.00 0.00 176.83 176.86 3hqy n THR 603 N -3.54 0.31 -2.38 2.95 -2.24 -1.26 -4.85 114.28 103.27 3hqy n THR 603 Ca -0.01 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 3hqy n THR 603 Cb 0.37 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 3hqy n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqy s LEU 604 N -3.81 3.77 0.97 3.22 1.43 -1.00 -5.03 118.68 118.23 3hqy s LEU 604 Ca 0.12 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 3hqy s LEU 604 Cb 0.15 -4.57 0.18 0.00 0.03 0.00 0.00 46.19 41.98 3hqy s LEU 604 CO 0.59 -0.99 1.11 -0.94 0.23 0.00 0.00 176.35 176.34 3hqy s SER 605 N -1.98 2.52 0.30 2.29 1.04 -1.26 -4.75 113.70 111.86 3hqy s SER 605 Ca 0.69 1.97 -0.00 0.00 0.48 0.00 0.00 55.95 59.09 3hqy s SER 605 Cb -0.19 -2.49 0.50 0.00 0.10 0.00 0.00 66.02 63.94 3hqy s SER 605 CO 0.24 -3.32 1.92 0.28 0.98 0.00 0.00 173.24 173.34 3hqy h SER 606 N -2.02 0.93 0.04 7.02 0.02 -1.96 0.52 113.55 118.11 3hqy h SER 606 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3hqy h SER 606 Cb 1.28 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3hqy h SER 606 CO 0.45 0.61 -0.02 0.28 -1.14 0.00 0.00 176.83 177.01 3hqy h SER 607 N 1.07 -0.05 -0.56 3.07 0.02 -1.99 -0.59 113.55 114.52 3hqy h SER 607 Ca 0.38 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3hqy h SER 607 Cb 0.14 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hqy h SER 607 CO -0.13 0.14 0.26 -0.33 -1.14 0.00 0.00 176.83 175.62 3hqy h GLU 608 N -0.23 0.85 0.39 3.45 5.08 -1.85 -0.28 114.58 122.01 3hqy h GLU 608 Ca -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hqy h GLU 608 Cb 0.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hqy h GLU 608 CO 0.01 0.68 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.59 3hqy h TYR 609 N 0.84 -0.49 -0.94 4.33 3.20 -0.68 -0.01 116.97 123.23 3hqy h TYR 609 Ca 0.21 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 3hqy h TYR 609 Cb 0.12 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 3hqy h TYR 609 CO 0.01 -0.30 0.61 0.93 -1.64 0.00 0.00 178.16 177.77 3hqy h GLU 610 N -0.54 1.04 -0.12 1.82 5.08 -0.84 -1.68 114.58 119.34 3hqy h GLU 610 Ca -0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hqy h GLU 610 Cb 0.41 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hqy h GLU 610 CO 0.09 0.69 0.03 0.37 -1.00 0.00 0.00 179.01 179.19 3hqy h GLN 611 N 1.07 0.19 -0.25 2.33 4.15 -0.76 -2.43 115.11 119.41 3hqy h GLN 611 Ca 0.40 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.68 3hqy h GLN 611 Cb 0.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hqy h GLN 611 CO -0.16 0.36 -0.27 -0.24 -1.93 0.00 0.00 178.83 176.60 3hqy h VAL 612 N -0.00 1.27 -0.06 2.39 3.04 -0.76 -1.42 116.25 120.70 3hqy h VAL 612 Ca 0.04 -1.30 -0.08 0.00 -1.01 0.00 0.00 66.70 64.35 3hqy h VAL 612 Cb 0.25 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 3hqy h VAL 612 CO 0.00 0.41 -0.33 -0.07 -1.01 0.00 0.00 177.57 176.58 3hqy h LEU 613 N 0.44 0.11 -0.15 3.16 3.38 -1.23 -1.07 115.31 119.94 3hqy h LEU 613 Ca 0.06 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 3hqy h LEU 613 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3hqy h LEU 613 CO 0.05 0.43 -0.96 -0.08 0.09 0.00 0.00 178.44 177.98 3hqy h GLU 614 N 0.10 0.44 -0.13 1.13 4.57 -1.11 0.40 114.58 119.97 3hqy h GLU 614 Ca 0.01 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 57.73 3hqy h GLU 614 Cb 0.63 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3hqy h GLU 614 CO 0.05 1.13 0.04 0.82 -1.18 0.00 0.00 179.01 179.86 3hqy h ILE 615 N 0.24 0.97 -0.55 2.32 2.04 -0.87 -1.57 117.51 120.09 3hqy h ILE 615 Ca -0.08 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hqy h ILE 615 Cb 1.59 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3hqy h ILE 615 CO 0.17 0.02 0.28 0.40 0.00 0.00 0.00 178.15 179.02 3hqy h ILE 616 N 0.10 1.20 0.00 -0.67 2.04 -1.15 -1.57 117.51 117.46 3hqy h ILE 616 Ca 0.06 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3hqy h ILE 616 Cb 0.03 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3hqy h ILE 616 CO -0.06 0.22 -0.00 -0.09 0.00 0.00 0.00 178.15 178.22 3hqy h ARG 617 N 0.74 -0.00 -0.52 2.37 2.43 -0.77 0.06 114.38 118.70 3hqy h ARG 617 Ca 0.19 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3hqy h ARG 617 Cb 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hqy h ARG 617 CO -0.03 0.05 0.05 0.87 -1.51 0.00 0.00 179.97 179.40 3hqy h LYS 618 N -0.05 0.85 -0.30 0.20 1.57 -1.16 -1.30 116.57 116.38 3hqy h LYS 618 Ca -0.00 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3hqy h LYS 618 Cb 0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3hqy h LYS 618 CO 0.00 0.82 -0.28 0.00 -0.57 0.00 0.00 179.45 179.42 3hqy h ALA 619 N 1.25 0.43 -0.21 3.86 0.00 -0.94 -1.65 119.26 122.01 3hqy h ALA 619 Ca 0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hqy h ALA 619 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hqy h ALA 619 CO 0.01 0.44 -0.02 0.82 0.00 0.00 0.00 179.25 180.50 3hqy h ILE 620 N 0.46 1.27 -0.90 0.00 2.04 -0.77 -2.92 117.51 116.69 3hqy h ILE 620 Ca 0.05 -0.93 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3hqy h ILE 620 Cb 0.84 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 3hqy h ILE 620 CO 0.07 0.28 0.54 0.40 0.00 0.00 0.00 178.15 179.45 3hqy h ILE 621 N 0.12 0.94 0.00 -0.67 1.08 -1.24 -2.10 117.51 115.64 3hqy h ILE 621 Ca 0.06 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3hqy h ILE 621 Cb 0.43 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3hqy h ILE 621 CO 0.01 0.16 -0.00 0.00 -0.69 0.00 0.00 178.15 177.64 3hqy h ALA 622 N 1.48 1.36 0.00 1.87 0.00 -1.10 -1.12 119.26 121.75 3hqy h ALA 622 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hqy h ALA 622 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hqy h ALA 622 CO -0.24 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.26 3hqy n THR 623 N -3.61 0.33 -2.17 0.00 -2.24 -0.79 -4.49 114.28 101.31 3hqy n THR 623 Ca -0.03 0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 3hqy n THR 623 Cb 0.08 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 3hqy n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqy s ASP 624 N -2.43 5.84 0.60 3.42 2.15 -0.42 -4.87 116.67 120.96 3hqy s ASP 624 Ca 0.21 0.68 0.31 0.00 0.43 0.00 0.00 52.55 54.17 3hqy s ASP 624 Cb 0.13 -2.53 1.76 0.00 -0.30 0.00 0.00 42.92 41.97 3hqy s ASP 624 CO 0.27 -1.86 2.14 0.25 -0.17 0.00 0.00 175.17 175.80 3hqy h LEU 625 N 14.08 0.00 -1.88 -1.34 5.85 -1.89 -0.13 115.31 129.99 3hqy h LEU 625 Ca -0.29 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3hqy h LEU 625 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3hqy h LEU 625 CO 1.13 0.00 0.14 0.00 -0.34 0.00 0.00 178.44 179.38 3hqy h ALA 626 N 1.80 2.01 0.00 1.25 0.00 -1.92 -2.00 119.26 120.40 3hqy h ALA 626 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3hqy h ALA 626 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hqy h ALA 626 CO -0.00 -0.05 -0.27 -0.07 0.00 0.00 0.00 179.25 178.86 3hqy h LEU 627 N 0.15 0.00 -0.87 0.00 3.38 -1.33 -3.34 115.31 113.30 3hqy h LEU 627 Ca 0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hqy h LEU 627 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3hqy h LEU 627 CO -0.01 0.27 0.57 0.22 0.09 0.00 0.00 178.44 179.58 3hqy h TYR 628 N 0.00 1.08 -0.33 1.13 3.20 -1.41 -2.65 116.97 117.99 3hqy h TYR 628 Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hqy h TYR 628 Cb 1.15 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 3hqy h TYR 628 CO 0.00 0.67 0.18 0.74 -1.64 0.00 0.00 178.16 178.11 3hqy h PHE 629 N 1.16 0.34 -0.43 -3.82 0.04 -1.69 0.30 116.94 112.84 3hqy h PHE 629 Ca 0.32 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.04 3hqy h PHE 629 Cb -0.11 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3hqy h PHE 629 CO -0.01 0.19 0.01 0.78 -0.60 0.00 0.00 178.31 178.68 3hqy h GLY 630 N 0.37 0.82 0.96 -1.45 0.00 -1.78 -2.07 103.07 99.91 3hqy h GLY 630 Ca 0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3hqy h GLY 630 CO -0.07 0.55 0.19 -0.57 0.00 0.00 0.00 176.54 176.64 3hqy h ASN 631 N 0.60 0.58 -0.09 0.19 -1.24 -1.04 -1.60 115.58 112.97 3hqy h ASN 631 Ca 0.12 -0.14 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 3hqy h ASN 631 Cb 0.48 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3hqy h ASN 631 CO 0.02 0.56 -0.33 -0.09 -1.29 0.00 0.00 177.43 176.29 3hqy h ARG 632 N 0.55 0.58 -0.43 6.67 2.43 -0.39 -1.02 114.38 122.77 3hqy h ARG 632 Ca 0.15 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3hqy h ARG 632 Cb 0.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3hqy h ARG 632 CO -0.02 0.84 0.23 -0.22 -1.51 0.00 0.00 179.97 179.29 3hqy h LYS 633 N 0.49 0.60 -0.55 0.20 3.64 -1.04 -0.29 116.57 119.61 3hqy h LYS 633 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hqy h LYS 633 Cb 0.82 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3hqy h LYS 633 CO 0.07 0.48 0.27 1.96 -2.27 0.00 0.00 179.45 179.96 3hqy h GLN 634 N 0.56 0.79 -0.44 1.90 1.08 -1.04 -2.08 115.11 115.88 3hqy h GLN 634 Ca 0.15 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3hqy h GLN 634 Cb 0.06 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3hqy h GLN 634 CO -0.02 0.65 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.37 3hqy h LEU 635 N 0.74 0.74 -0.26 1.46 3.38 -0.87 -1.01 115.31 119.50 3hqy h LEU 635 Ca 0.19 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3hqy h LEU 635 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hqy h LEU 635 CO -0.02 0.85 -0.09 -0.08 0.09 0.00 0.00 178.44 179.18 3hqy h GLU 636 N 0.70 0.52 -0.94 1.13 4.57 -0.87 -1.03 114.58 118.66 3hqy h GLU 636 Ca 0.13 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3hqy h GLU 636 Cb 0.52 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 3hqy h GLU 636 CO 0.03 0.76 0.61 1.49 -1.18 0.00 0.00 179.01 180.72 3hqy h GLU 637 N 0.26 1.17 -0.80 1.92 4.81 -1.23 -2.38 114.58 118.32 3hqy h GLU 637 Ca 0.06 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3hqy h GLU 637 Cb 0.58 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3hqy h GLU 637 CO 0.03 0.77 0.35 0.52 -0.73 0.00 0.00 179.01 179.95 3hqy h MET 638 N 1.20 1.18 -0.04 1.92 2.86 -0.95 -2.20 114.93 118.91 3hqy h MET 638 Ca 0.37 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3hqy h MET 638 Cb -0.03 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 3hqy h MET 638 CO -0.11 0.94 0.02 -0.92 1.06 0.00 0.00 176.91 177.89 3hqy h TYR 639 N 1.16 0.07 0.00 -0.22 3.20 -0.75 0.22 116.97 120.64 3hqy h TYR 639 Ca 0.27 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 3hqy h TYR 639 Cb 0.17 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3hqy h TYR 639 CO 0.02 0.22 -0.64 1.96 -1.64 0.00 0.00 178.16 178.08 3hqy h GLN 640 N -0.10 0.00 -0.00 1.82 1.08 -1.41 -2.50 115.11 113.99 3hqy h GLN 640 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3hqy h GLN 640 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3hqy h GLN 640 CO -0.00 0.64 -0.10 0.25 -0.95 0.00 0.00 178.83 178.66 3hqy n THR 641 N -3.57 0.00 -1.51 -0.54 -2.24 -0.83 -4.94 114.28 100.65 3hqy n THR 641 Ca -0.00 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3hqy n THR 641 Cb 0.68 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 3hqy n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqy n GLY 642 N 1.26 1.13 0.34 3.38 0.00 -0.94 -4.92 105.19 105.43 3hqy n GLY 642 Ca 0.15 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3hqy n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqy n SER 643 N -0.14 1.48 -4.71 1.61 3.41 0.03 -4.93 113.62 110.37 3hqy n SER 643 Ca -0.13 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 3hqy n SER 643 Cb 0.45 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 3hqy n SER 643 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hqy s LEU 644 N -2.55 4.37 -0.27 1.04 2.96 -1.08 -4.97 118.68 118.17 3hqy s LEU 644 Ca 0.20 2.52 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 3hqy s LEU 644 Cb 0.18 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.38 3hqy s LEU 644 CO 0.58 -0.82 0.06 0.21 -1.32 0.00 0.00 176.35 175.06 3hqy s ASN 645 N 1.63 3.74 0.18 3.68 2.47 -1.26 -4.99 114.94 120.39 3hqy s ASN 645 Ca 0.71 -1.39 0.19 0.00 0.42 0.00 0.00 52.86 52.79 3hqy s ASN 645 Cb -0.41 -0.85 0.82 0.00 -1.45 0.00 0.00 41.25 39.37 3hqy s ASN 645 CO 0.31 -0.37 1.57 0.18 -3.72 0.00 0.00 177.10 175.08 3hqy n LEU 646 N 4.87 0.41 -0.34 3.21 4.77 -1.26 -1.46 117.00 127.21 3hqy n LEU 646 Ca -0.05 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 3hqy n LEU 646 Cb 0.44 -0.59 0.63 0.00 -2.33 0.00 0.00 43.42 41.57 3hqy n LEU 646 CO 0.13 -0.53 0.93 1.41 -1.33 0.00 0.00 177.39 177.99 3hqy n HIS 647 N -1.98 0.02 -3.56 -1.77 8.25 -1.26 -4.60 115.22 110.32 3hqy n HIS 647 Ca 0.02 -0.01 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3hqy n HIS 647 Cb 0.16 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 3hqy n HIS 647 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqy s ASN 648 N -1.95 6.05 0.22 0.41 3.84 -0.53 -5.01 114.94 117.97 3hqy s ASN 648 Ca 0.40 0.01 -0.08 0.00 0.21 0.00 0.00 52.86 53.40 3hqy s ASN 648 Cb 0.21 -2.13 0.27 0.00 -0.55 0.00 0.00 41.25 39.04 3hqy s ASN 648 CO 0.33 -0.08 1.82 -0.61 -2.79 0.00 0.00 177.10 175.78 3hqy h GLN 649 N 8.35 0.73 -0.75 0.43 5.75 -1.85 -0.97 115.11 126.80 3hqy h GLN 649 Ca -0.34 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.09 3hqy h GLN 649 Cb 1.18 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 3hqy h GLN 649 CO 0.57 0.49 0.38 0.66 -2.65 0.00 0.00 178.83 178.27 3hqy h SER 650 N 0.76 0.97 -0.47 -0.69 4.64 -1.94 0.57 113.55 117.37 3hqy h SER 650 Ca 0.32 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3hqy h SER 650 Cb 0.19 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3hqy h SER 650 CO -0.18 0.81 0.10 0.45 -0.87 0.00 0.00 176.83 177.14 3hqy h HIS 651 N 1.05 0.81 -0.55 4.77 3.86 -1.75 -2.33 115.15 121.01 3hqy h HIS 651 Ca 0.26 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3hqy h HIS 651 Cb 0.08 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.28 3hqy h HIS 651 CO 0.01 0.74 0.29 -0.09 0.86 0.00 0.00 177.93 179.74 3hqy h ARG 652 N 0.65 0.53 -0.70 2.45 2.43 -0.82 -0.83 114.38 118.09 3hqy h ARG 652 Ca 0.15 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hqy h ARG 652 Cb 0.35 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3hqy h ARG 652 CO 0.00 0.35 0.44 -0.44 -1.51 0.00 0.00 179.97 178.82 3hqy h ASP 653 N 0.55 0.72 -0.47 -3.80 3.32 -0.74 -1.46 116.42 114.54 3hqy h ASP 653 Ca 0.24 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3hqy h ASP 653 Cb 0.15 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3hqy h ASP 653 CO -0.17 0.50 0.31 0.03 -1.72 0.00 0.00 179.24 178.19 3hqy h ARG 654 N 0.86 0.60 -0.69 3.56 3.08 -0.83 -0.81 114.38 120.15 3hqy h ARG 654 Ca 0.28 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 3hqy h ARG 654 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hqy h ARG 654 CO -0.10 0.40 0.24 0.28 -1.07 0.00 0.00 179.97 179.72 3hqy h VAL 655 N 0.62 1.25 -0.38 2.04 2.07 -0.86 -0.28 116.25 120.71 3hqy h VAL 655 Ca 0.18 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3hqy h VAL 655 Cb -0.05 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3hqy h VAL 655 CO -0.05 0.33 -0.04 0.40 0.02 0.00 0.00 177.57 178.22 3hqy h ILE 656 N 0.99 1.23 -0.38 4.57 2.04 -1.05 -0.66 117.51 124.25 3hqy h ILE 656 Ca 0.23 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 3hqy h ILE 656 Cb 0.26 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3hqy h ILE 656 CO -0.01 0.33 -0.03 1.23 0.00 0.00 0.00 178.15 179.67 3hqy h GLY 657 N 0.93 0.74 1.02 5.37 0.00 -0.24 -0.55 103.07 110.34 3hqy h GLY 657 Ca 0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3hqy h GLY 657 CO 0.02 0.52 0.42 -2.00 0.00 0.00 0.00 176.54 175.50 3hqy h LEU 658 N 0.50 1.01 -0.74 3.11 5.85 -0.79 -0.78 115.31 123.48 3hqy h LEU 658 Ca 0.10 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3hqy h LEU 658 Cb 0.51 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3hqy h LEU 658 CO 0.02 0.83 0.46 0.24 -0.34 0.00 0.00 178.44 179.66 3hqy h MET 659 N 1.11 0.86 -0.62 1.25 2.86 -0.80 0.50 114.93 120.09 3hqy h MET 659 Ca 0.28 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3hqy h MET 659 Cb 0.06 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3hqy h MET 659 CO -0.04 0.57 0.28 0.52 1.06 0.00 0.00 176.91 179.30 3hqy h MET 660 N 0.88 0.91 0.02 1.72 2.86 -0.45 -0.67 114.93 120.19 3hqy h MET 660 Ca 0.30 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3hqy h MET 660 Cb 0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3hqy h MET 660 CO -0.12 0.74 -0.08 1.15 1.06 0.00 0.00 176.91 179.66 3hqy h THR 661 N 0.86 0.80 -0.89 2.22 2.02 -0.68 0.07 112.91 117.31 3hqy h THR 661 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.46 3hqy h THR 661 Cb 0.15 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 3hqy h THR 661 CO -0.02 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.42 3hqy h ALA 662 N 0.82 1.24 -0.26 6.16 0.00 -0.67 0.25 119.26 126.81 3hqy h ALA 662 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3hqy h ALA 662 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hqy h ALA 662 CO -0.07 0.28 -0.36 0.00 0.00 0.00 0.00 179.25 179.10 3hqy h ASP 664 N 0.44 0.82 -0.23 0.00 1.82 -0.45 -2.64 116.42 116.18 3hqy h ASP 664 Ca 0.03 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 3hqy h ASP 664 Cb 0.95 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.74 3hqy h ASP 664 CO 0.08 0.73 0.00 0.18 -1.61 0.00 0.00 179.24 178.62 3hqy n LEU 665 N -4.32 1.37 0.00 2.28 4.77 0.03 -4.59 117.00 116.53 3hqy n LEU 665 Ca 0.05 -0.66 0.04 0.00 -0.03 0.00 0.00 56.01 55.41 3hqy n LEU 665 Cb 0.16 -0.15 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 3hqy n LEU 665 CO 0.39 0.33 0.62 0.00 -1.33 0.00 0.00 177.39 177.39 3hqy h SER 667 N 0.00 0.00 -0.01 0.00 4.64 -1.85 -0.66 113.55 115.66 3hqy h SER 667 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hqy h SER 667 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hqy h SER 667 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3hqy n VAL 668 N -4.40 0.02 -0.03 0.95 0.24 -0.77 -2.93 118.33 111.40 3hqy n VAL 668 Ca 0.00 -0.05 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 3hqy n VAL 668 Cb 0.22 -0.25 0.11 0.00 -1.47 0.00 0.00 33.84 32.45 3hqy n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hqy n THR 669 N -0.70 0.78 -2.31 3.34 -2.24 -0.26 -3.58 114.28 109.31 3hqy n THR 669 Ca 0.20 -0.89 -0.26 0.00 -2.27 0.00 0.00 64.05 60.82 3hqy n THR 669 Cb 0.14 0.65 0.14 0.00 -2.10 0.00 0.00 70.33 69.16 3hqy n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hqy s LYS 670 N -0.95 1.29 0.63 -0.78 -0.14 -1.15 -4.55 119.74 114.10 3hqy s LYS 670 Ca 0.17 -0.80 -0.15 0.00 -1.36 0.00 0.00 55.97 53.84 3hqy s LYS 670 Cb 0.10 -2.13 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 3hqy s LYS 670 CO 0.13 -1.82 1.08 -0.51 -0.76 0.00 0.00 175.35 173.46 3hqy s LEU 671 N -5.44 3.40 0.22 3.17 1.43 -1.26 -4.71 118.68 115.49 3hqy s LEU 671 Ca 0.69 1.85 -0.08 0.00 -1.03 0.00 0.00 54.13 55.57 3hqy s LEU 671 Cb -0.05 -4.53 0.35 0.00 0.03 0.00 0.00 46.19 41.99 3hqy s LEU 671 CO 0.48 -1.38 1.73 -0.25 0.23 0.00 0.00 176.35 177.15 3hqy h TRP 672 N 0.11 0.37 -0.97 0.29 2.91 -1.96 -0.99 115.95 115.71 3hqy h TRP 672 Ca -0.46 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.65 3hqy h TRP 672 Cb 1.23 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 3hqy h TRP 672 CO 0.58 0.04 0.63 -1.35 -1.03 0.00 0.00 178.44 177.31 3hqy h PRO 673 N 0.37 1.13 -0.08 2.65 0.11 -1.99 0.33 132.00 134.51 3hqy h PRO 673 Ca 0.35 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3hqy h PRO 673 Cb 0.50 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3hqy h PRO 673 CO -0.37 0.75 -0.02 0.28 -0.21 0.00 0.00 178.00 178.42 3hqy h VAL 674 N 1.16 1.29 -0.39 3.15 2.07 -1.58 -2.39 116.25 119.56 3hqy h VAL 674 Ca 0.41 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3hqy h VAL 674 Cb 0.12 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3hqy h VAL 674 CO -0.15 0.26 0.06 0.74 0.02 0.00 0.00 177.57 178.50 3hqy h THR 675 N -0.18 0.78 -0.40 2.57 2.02 -1.03 0.16 112.91 116.84 3hqy h THR 675 Ca 0.02 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3hqy h THR 675 Cb 0.42 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hqy h THR 675 CO 0.01 0.03 0.12 0.50 0.37 0.00 0.00 175.52 176.56 3hqy h LYS 676 N 0.18 0.62 -0.41 6.66 3.64 -0.98 -1.26 116.57 125.03 3hqy h LYS 676 Ca 0.19 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 3hqy h LYS 676 Cb 0.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hqy h LYS 676 CO -0.26 0.62 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.20 3hqy h LEU 677 N 0.50 0.89 -0.81 5.20 3.38 -1.25 -2.78 115.31 120.43 3hqy h LEU 677 Ca 0.13 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hqy h LEU 677 Cb 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hqy h LEU 677 CO -0.00 1.10 0.32 0.74 0.09 0.00 0.00 178.44 180.69 3hqy h THR 678 N 0.73 1.26 -0.50 0.22 2.02 -0.58 -2.26 112.91 113.81 3hqy h THR 678 Ca 0.09 -0.82 0.09 0.00 0.77 0.00 0.00 66.41 66.54 3hqy h THR 678 Cb 0.82 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3hqy h THR 678 CO 0.07 0.34 0.34 0.00 0.37 0.00 0.00 175.52 176.64 3hqy h ALA 679 N 1.18 2.10 -0.91 6.16 0.00 -0.95 -1.29 119.26 125.55 3hqy h ALA 679 Ca 0.27 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3hqy h ALA 679 Cb 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3hqy h ALA 679 CO -0.02 -0.21 0.59 -0.91 0.00 0.00 0.00 179.25 178.70 3hqy h ASN 680 N 0.28 1.00 -0.36 0.00 2.35 -1.25 -1.32 115.58 116.29 3hqy h ASN 680 Ca 0.23 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 3hqy h ASN 680 Cb 0.54 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hqy h ASN 680 CO -0.05 0.70 -0.39 0.44 -1.65 0.00 0.00 177.43 176.48 3hqy h ASP 681 N 1.18 0.97 -0.06 5.81 3.32 -1.26 -1.97 116.42 124.40 3hqy h ASP 681 Ca 0.35 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hqy h ASP 681 Cb -0.05 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 3hqy h ASP 681 CO -0.10 1.25 0.04 0.40 -1.72 0.00 0.00 179.24 179.11 3hqy h ILE 682 N 0.71 1.02 -0.01 0.35 2.04 -1.07 -2.68 117.51 117.87 3hqy h ILE 682 Ca 0.05 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3hqy h ILE 682 Cb 0.99 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3hqy h ILE 682 CO 0.10 0.02 -0.26 1.88 0.00 0.00 0.00 178.15 179.88 3hqy h TYR 683 N 0.08 0.01 -0.98 1.37 0.05 -1.23 -1.37 116.97 114.91 3hqy h TYR 683 Ca 0.02 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.82 3hqy h TYR 683 Cb -0.01 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 3hqy h TYR 683 CO -0.07 0.27 0.65 0.00 -1.05 0.00 0.00 178.16 177.96 3hqy h ALA 684 N 1.73 1.26 -0.04 3.88 0.00 -1.02 0.11 119.26 125.19 3hqy h ALA 684 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hqy h ALA 684 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hqy h ALA 684 CO 0.03 0.59 -0.07 0.93 0.00 0.00 0.00 179.25 180.74 3hqy h GLU 685 N 1.29 0.11 -0.61 0.00 5.08 -1.28 -2.62 114.58 116.56 3hqy h GLU 685 Ca 0.37 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3hqy h GLU 685 Cb -0.09 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3hqy h GLU 685 CO -0.10 0.65 0.33 0.74 -1.00 0.00 0.00 179.01 179.63 3hqy h PHE 686 N -0.41 0.60 -0.31 4.33 0.04 -0.90 -1.29 116.94 119.01 3hqy h PHE 686 Ca 0.00 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 3hqy h PHE 686 Cb 0.64 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3hqy h PHE 686 CO 0.12 0.29 -0.26 -1.49 -0.60 0.00 0.00 178.31 176.36 3hqy h TRP 687 N 0.61 0.70 -0.60 -0.55 6.55 -0.88 -0.32 115.95 121.47 3hqy h TRP 687 Ca 0.27 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 3hqy h TRP 687 Cb 0.17 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.28 3hqy h TRP 687 CO -0.09 0.82 0.34 0.00 -1.05 0.00 0.00 178.44 178.46 3hqy h ALA 688 N 1.18 0.77 -0.65 1.49 0.00 -1.05 0.12 119.26 121.11 3hqy h ALA 688 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hqy h ALA 688 Cb 0.73 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hqy h ALA 688 CO 0.06 0.27 0.31 1.49 0.00 0.00 0.00 179.25 181.38 3hqy h GLU 689 N 0.81 0.94 -0.89 0.00 4.81 -1.00 -1.35 114.58 117.91 3hqy h GLU 689 Ca 0.21 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3hqy h GLU 689 Cb 0.03 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.17 3hqy h GLU 689 CO -0.04 0.75 0.55 0.78 -0.73 0.00 0.00 179.01 180.32 3hqy h GLY 690 N 0.90 1.36 0.99 1.92 0.00 -0.67 0.10 103.07 107.67 3hqy h GLY 690 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3hqy h GLY 690 CO -0.03 0.24 0.30 -0.55 0.00 0.00 0.00 176.54 176.50 3hqy h ASP 691 N 0.96 0.65 -0.17 0.19 3.32 -0.54 -1.25 116.42 119.59 3hqy h ASP 691 Ca 0.40 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 3hqy h ASP 691 Cb 0.24 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hqy h ASP 691 CO -0.20 0.54 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.49 3hqy h GLU 692 N 0.71 0.47 -0.11 3.56 4.39 -0.32 -1.20 114.58 122.07 3hqy h GLU 692 Ca 0.19 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3hqy h GLU 692 Cb 0.02 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hqy h GLU 692 CO -0.03 0.53 -0.05 0.52 -1.16 0.00 0.00 179.01 178.81 3hqy h MET 693 N 0.45 0.22 -0.88 2.33 2.86 -0.69 -1.28 114.93 117.94 3hqy h MET 693 Ca 0.09 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 3hqy h MET 693 Cb 0.36 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 3hqy h MET 693 CO 0.01 0.57 0.57 0.87 1.06 0.00 0.00 176.91 180.00 3hqy h LYS 694 N -0.13 0.71 0.00 1.72 1.57 -0.86 -0.26 116.57 119.32 3hqy h LYS 694 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hqy h LYS 694 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hqy h LYS 694 CO 0.02 0.47 0.00 0.87 -0.57 0.00 0.00 179.45 180.24 3hqy h LYS 695 N 0.74 0.00 -0.00 3.15 1.57 -0.67 -1.75 116.57 119.61 3hqy h LYS 695 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3hqy h LYS 695 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hqy h LYS 695 CO -0.20 0.00 -0.10 1.28 -0.57 0.00 0.00 179.45 179.86 3hqy n LEU 696 N -2.96 0.22 0.00 2.94 4.77 -0.48 -4.93 117.00 116.56 3hqy n LEU 696 Ca 0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3hqy n LEU 696 Cb 0.38 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hqy n LEU 696 CO 0.29 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hqy n GLY 697 N 1.38 0.55 3.25 -0.72 0.00 -0.66 -5.07 105.19 103.93 3hqy n GLY 697 Ca 0.11 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3hqy n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqy s ILE 698 N -2.00 2.57 -0.12 -0.61 1.01 -0.23 -4.99 121.20 116.83 3hqy s ILE 698 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3hqy s ILE 698 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3hqy s ILE 698 CO 0.00 0.52 1.65 -1.58 0.00 0.00 0.00 174.94 175.53 3hqy s GLN 699 N 0.80 4.02 0.68 2.79 2.00 -1.26 -2.56 119.66 126.13 3hqy s GLN 699 Ca -0.06 2.00 -0.14 0.00 -2.00 0.00 0.00 55.36 55.16 3hqy s GLN 699 Cb -0.15 -4.01 0.01 0.00 0.80 0.00 0.00 33.01 29.65 3hqy s GLN 699 CO -0.00 -1.03 1.09 -1.25 -0.50 0.00 0.00 175.29 173.60 3hqy s PRO 700 N 4.31 2.78 0.63 1.67 0.04 -1.26 -5.00 135.00 138.17 3hqy s PRO 700 Ca 0.73 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 3hqy s PRO 700 Cb -0.30 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3hqy s PRO 700 CO 0.29 -1.25 1.30 0.96 0.04 0.00 0.00 177.00 178.34 3hqy s ILE 701 N -2.55 2.08 0.31 0.56 -4.36 -1.26 -4.80 121.20 111.19 3hqy s ILE 701 Ca 0.64 0.05 0.08 0.00 -0.26 0.00 0.00 60.65 61.16 3hqy s ILE 701 Cb -0.18 -3.02 0.31 0.00 1.25 0.00 0.00 42.46 40.81 3hqy s ILE 701 CO 0.45 -0.01 1.72 -0.65 0.24 0.00 0.00 174.94 176.69 3hqy h PRO 702 N 0.70 0.51 -0.62 0.37 0.11 -1.95 -0.83 132.00 130.30 3hqy h PRO 702 Ca -0.51 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.74 3hqy h PRO 702 Cb 1.33 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3hqy h PRO 702 CO 0.54 0.34 0.44 1.98 -0.21 0.00 0.00 178.00 181.08 3hqy h MET 703 N 0.53 0.06 -0.09 1.05 4.05 -1.94 -1.40 114.93 117.18 3hqy h MET 703 Ca 0.62 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.04 3hqy h MET 703 Cb 1.19 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3hqy h MET 703 CO -0.49 0.04 0.00 -1.33 0.23 0.00 0.00 176.91 175.36 3hqy n MET 704 N -4.38 2.27 -3.39 0.39 2.81 -0.33 -4.66 117.12 109.83 3hqy n MET 704 Ca 0.12 -1.96 -0.44 0.00 -1.81 0.00 0.00 57.70 53.61 3hqy n MET 704 Cb 0.64 -1.46 -0.08 0.00 -0.71 0.00 0.00 33.22 31.62 3hqy n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hqy s ASP 705 N -1.85 6.14 0.62 7.83 -1.08 -0.53 -3.17 116.67 124.63 3hqy s ASP 705 Ca 0.29 -1.18 0.33 0.00 -0.52 0.00 0.00 52.55 51.47 3hqy s ASP 705 Cb 0.20 -2.18 1.83 0.00 -1.46 0.00 0.00 42.92 41.31 3hqy s ASP 705 CO 0.29 -0.61 2.13 0.08 0.52 0.00 0.00 175.17 177.59 3hqy h ARG 706 N 8.73 0.00 0.00 4.34 0.11 -1.85 -0.71 114.38 125.01 3hqy h ARG 706 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 3hqy h ARG 706 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3hqy h ARG 706 CO 0.84 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.66 3hqy n ASP 707 N -3.46 0.57 -1.57 0.08 8.00 -1.26 -2.02 116.55 116.89 3hqy n ASP 707 Ca -0.00 0.64 0.02 0.00 0.71 0.00 0.00 54.79 56.17 3hqy n ASP 707 Cb 0.28 -0.76 0.31 0.00 -0.02 0.00 0.00 41.12 40.93 3hqy n ASP 707 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hqy n LYS 708 N -2.13 3.70 0.26 -1.24 4.76 -0.27 -4.68 118.16 118.56 3hqy n LYS 708 Ca 0.02 -3.05 0.11 0.00 -2.87 0.00 0.00 58.31 52.52 3hqy n LYS 708 Cb 0.21 -2.09 0.74 0.00 -1.84 0.00 0.00 35.03 32.06 3hqy n LYS 708 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hqy h ARG 709 N 2.67 0.00 0.00 1.97 0.11 -1.53 -0.71 114.38 116.90 3hqy h ARG 709 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3hqy h ARG 709 Cb 1.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.00 3hqy h ARG 709 CO 0.49 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 180.12 3hqy h ASP 710 N 0.00 0.00 -0.28 0.08 3.32 -1.85 -2.36 116.42 115.32 3hqy h ASP 710 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hqy h ASP 710 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hqy h ASP 710 CO -0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3hqy n GLU 711 N -2.52 2.07 -0.22 3.56 1.02 -0.27 -4.52 120.64 119.76 3hqy n GLU 711 Ca -0.00 -1.62 -0.04 0.00 -0.02 0.00 0.00 57.16 55.48 3hqy n GLU 711 Cb 0.14 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3hqy n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hqy h VAL 712 N 3.14 0.18 -0.77 2.62 2.07 -1.55 -0.46 116.25 121.49 3hqy h VAL 712 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hqy h VAL 712 Cb 0.69 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3hqy h VAL 712 CO 0.00 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.44 3hqy h PRO 713 N -0.12 0.97 -0.73 1.57 0.11 -1.86 0.17 132.00 132.12 3hqy h PRO 713 Ca 0.26 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 3hqy h PRO 713 Cb 0.55 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 3hqy h PRO 713 CO -0.71 0.64 0.31 1.96 -0.21 0.00 0.00 178.00 179.99 3hqy h GLN 714 N 1.00 1.06 -0.59 1.05 7.50 -1.75 -0.57 115.11 122.82 3hqy h GLN 714 Ca 0.29 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 59.20 3hqy h GLN 714 Cb -0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.26 3hqy h GLN 714 CO -0.08 0.85 0.08 0.78 -1.50 0.00 0.00 178.83 178.96 3hqy h GLY 715 N 1.10 1.06 0.89 3.46 0.00 -0.17 -2.19 103.07 107.21 3hqy h GLY 715 Ca 0.25 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3hqy h GLY 715 CO -0.02 0.66 0.08 1.46 0.00 0.00 0.00 176.54 178.72 3hqy h GLN 716 N 0.88 0.32 -0.74 4.80 1.08 -0.26 -1.95 115.11 119.24 3hqy h GLN 716 Ca 0.18 -0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.48 3hqy h GLN 716 Cb 0.44 -0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.70 3hqy h GLN 716 CO 0.01 0.39 0.09 -0.07 -0.95 0.00 0.00 178.83 178.31 3hqy h LEU 717 N 0.18 -0.17 -0.42 1.46 4.07 -0.93 -0.23 115.31 119.28 3hqy h LEU 717 Ca 0.07 0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3hqy h LEU 717 Cb 0.20 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3hqy h LEU 717 CO -0.00 -0.12 0.23 1.23 -1.08 0.00 0.00 178.44 178.70 3hqy h GLY 718 N 0.17 0.62 0.85 0.83 0.00 -0.96 -0.78 103.07 103.81 3hqy h GLY 718 Ca 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3hqy h GLY 718 CO -0.59 0.27 0.03 -2.75 0.00 0.00 0.00 176.54 173.50 3hqy h PHE 719 N 0.54 0.13 -0.66 5.60 3.57 -0.64 -0.39 116.94 125.10 3hqy h PHE 719 Ca 0.15 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hqy h PHE 719 Cb 0.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3hqy h PHE 719 CO -0.02 0.26 0.40 1.88 -2.23 0.00 0.00 178.31 178.60 3hqy h TYR 720 N -0.03 0.75 -0.44 0.41 -1.99 -0.92 0.83 116.97 115.59 3hqy h TYR 720 Ca 0.03 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.70 3hqy h TYR 720 Cb 0.18 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 3hqy h TYR 720 CO -0.01 0.42 -0.04 -0.91 -0.00 0.00 0.00 178.16 177.62 3hqy h ASN 721 N 0.78 0.80 0.54 3.88 2.35 -0.97 -0.76 115.58 122.19 3hqy h ASN 721 Ca 0.27 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 3hqy h ASN 721 Cb 0.04 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3hqy h ASN 721 CO -0.11 0.94 -1.52 0.00 -1.65 0.00 0.00 177.43 175.08 3hqy n ALA 722 N -2.44 2.40 0.03 -0.83 0.00 -0.17 -4.52 120.51 114.98 3hqy n ALA 722 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3hqy n ALA 722 Cb 0.33 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3hqy n ALA 722 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqy n VAL 723 N -2.60 0.43 0.10 0.00 0.31 0.22 -4.83 118.33 111.96 3hqy n VAL 723 Ca -0.06 0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3hqy n VAL 723 Cb 0.67 -1.05 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 3hqy n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hqy h ALA 724 N 0.00 -0.29 -0.25 3.52 0.00 -1.33 -1.38 119.26 119.53 3hqy h ALA 724 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hqy h ALA 724 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hqy h ALA 724 CO 0.00 -0.45 0.15 0.82 0.00 0.00 0.00 179.25 179.78 3hqy h ILE 725 N -0.73 1.08 -0.78 0.00 1.08 -1.39 -1.50 117.51 115.29 3hqy h ILE 725 Ca -0.03 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 3hqy h ILE 725 Cb 0.49 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3hqy h ILE 725 CO 0.05 0.08 0.51 -0.65 -0.69 0.00 0.00 178.15 177.45 3hqy h PRO 726 N 0.32 0.91 0.70 2.37 0.11 -1.75 -0.27 132.00 134.39 3hqy h PRO 726 Ca 0.09 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3hqy h PRO 726 Cb -0.00 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 30.91 3hqy h PRO 726 CO -0.02 0.61 -0.34 0.00 -0.21 0.00 0.00 178.00 178.04 3hqy h TYR 728 N -0.98 0.00 -0.20 0.00 0.05 -1.24 -1.35 116.97 113.26 3hqy h TYR 728 Ca -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3hqy h TYR 728 Cb 0.73 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 3hqy h TYR 728 CO -0.02 0.45 0.10 1.15 -1.05 0.00 0.00 178.16 178.79 3hqy h THR 729 N 0.00 1.13 -0.32 -2.88 2.02 -1.01 -0.84 112.91 111.01 3hqy h THR 729 Ca -0.00 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 3hqy h THR 729 Cb 0.91 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3hqy h THR 729 CO 0.06 0.12 -0.37 0.74 0.37 0.00 0.00 175.52 176.44 3hqy h THR 730 N 0.19 1.28 -0.47 3.16 2.02 -1.10 -2.28 112.91 115.72 3hqy h THR 730 Ca 0.07 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 3hqy h THR 730 Cb 0.10 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3hqy h THR 730 CO -0.01 0.50 0.22 0.25 0.37 0.00 0.00 175.52 176.85 3hqy h LEU 731 N 0.62 0.63 -1.27 2.58 5.85 -1.17 -2.62 115.31 119.92 3hqy h LEU 731 Ca 0.06 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3hqy h LEU 731 Cb 0.92 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3hqy h LEU 731 CO 0.08 0.60 0.13 0.74 -0.34 0.00 0.00 178.44 179.66 3hqy h THR 732 N 0.62 1.18 -0.49 1.05 2.02 -0.96 0.22 112.91 116.55 3hqy h THR 732 Ca 0.16 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3hqy h THR 732 Cb 0.14 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hqy h THR 732 CO -0.02 0.23 -0.01 1.56 0.37 0.00 0.00 175.52 177.65 3hqy h GLN 733 N 0.62 0.83 0.22 6.66 4.20 -1.08 -2.05 115.11 124.51 3hqy h GLN 733 Ca 0.15 -0.23 -0.35 0.00 0.06 0.00 0.00 58.65 58.28 3hqy h GLN 733 Cb 0.19 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 27.90 3hqy h GLN 733 CO -0.01 0.84 -1.64 0.82 -0.67 0.00 0.00 178.83 178.17 3hqy h ILE 734 N 0.77 1.08 -2.89 2.54 2.04 -1.18 -3.41 117.51 116.46 3hqy h ILE 734 Ca 0.15 -2.59 -0.61 0.00 1.00 0.00 0.00 64.86 62.80 3hqy h ILE 734 Cb 0.48 2.88 -0.41 0.00 -0.74 0.00 0.00 36.82 39.04 3hqy h ILE 734 CO 0.02 0.84 -0.71 -0.76 0.00 0.00 0.00 178.15 177.54 3hqy s LEU 735 N -7.43 3.55 0.37 1.44 1.43 0.75 -5.01 118.68 113.79 3hqy s LEU 735 Ca -0.13 -3.42 0.15 0.00 -1.03 0.00 0.00 54.13 49.69 3hqy s LEU 735 Cb 0.05 -1.22 1.00 0.00 0.03 0.00 0.00 46.19 46.05 3hqy s LEU 735 CO 0.89 -0.14 1.78 -0.65 0.23 0.00 0.00 176.35 178.46 3hqy h PRO 736 N 5.71 0.48 0.00 1.29 0.11 -1.59 -0.37 132.00 137.63 3hqy h PRO 736 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3hqy h PRO 736 Cb 0.83 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3hqy h PRO 736 CO 0.59 0.32 0.04 -2.30 -0.21 0.00 0.00 178.00 176.43 3hqy n PRO 737 N -4.67 0.00 -0.05 1.05 -0.02 -1.26 -1.69 135.00 128.36 3hqy n PRO 737 Ca 0.24 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3hqy n PRO 737 Cb 0.77 -1.54 0.45 0.00 -0.02 0.00 0.00 33.50 33.16 3hqy n PRO 737 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hqy n THR 738 N -1.40 0.13 -0.34 3.45 -2.24 -0.15 -4.46 114.28 109.27 3hqy n THR 738 Ca 0.00 -0.24 0.24 0.00 -2.27 0.00 0.00 64.05 61.79 3hqy n THR 738 Cb 0.04 0.17 0.48 0.00 -2.10 0.00 0.00 70.33 68.92 3hqy n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hqy h GLU 739 N 1.55 0.33 -0.34 -0.78 4.81 -1.52 -1.33 114.58 117.30 3hqy h GLU 739 Ca 0.00 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3hqy h GLU 739 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3hqy h GLU 739 CO 0.00 0.22 0.24 -1.35 -0.73 0.00 0.00 179.01 177.38 3hqy h PRO 740 N 0.33 0.07 -0.18 0.92 0.11 -1.87 -0.84 132.00 130.55 3hqy h PRO 740 Ca 0.73 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.82 3hqy h PRO 740 Cb 1.69 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.78 3hqy h PRO 740 CO -0.56 0.05 0.09 -0.07 -0.21 0.00 0.00 178.00 177.29 3hqy h LEU 741 N 0.07 0.23 -0.61 2.35 3.38 -1.59 -1.18 115.31 117.97 3hqy h LEU 741 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hqy h LEU 741 Cb 0.53 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hqy h LEU 741 CO -0.01 0.29 0.34 0.25 0.09 0.00 0.00 178.44 179.39 3hqy h LEU 742 N 0.16 0.76 -0.44 1.67 5.85 -1.38 -0.51 115.31 121.42 3hqy h LEU 742 Ca 0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hqy h LEU 742 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3hqy h LEU 742 CO -0.01 0.63 0.22 0.50 -0.34 0.00 0.00 178.44 179.44 3hqy h LYS 743 N 0.83 0.63 -0.40 1.25 3.64 -1.10 -0.75 116.57 120.67 3hqy h LYS 743 Ca 0.21 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3hqy h LYS 743 Cb 0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3hqy h LYS 743 CO -0.04 0.52 -0.10 0.00 -2.27 0.00 0.00 179.45 177.57 3hqy h ALA 744 N 1.07 1.10 -0.09 5.00 0.00 -0.84 -1.47 119.26 124.02 3hqy h ALA 744 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hqy h ALA 744 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hqy h ALA 744 CO -0.02 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.85 3hqy h ARG 746 N 0.12 0.99 -0.74 0.00 3.08 -0.95 -0.77 114.38 116.11 3hqy h ARG 746 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3hqy h ARG 746 Cb -0.00 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 3hqy h ARG 746 CO -0.01 0.65 0.29 -0.44 -1.07 0.00 0.00 179.97 179.40 3hqy h ASP 747 N 1.02 1.01 0.03 7.04 3.32 -0.85 -1.54 116.42 126.45 3hqy h ASP 747 Ca 0.39 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 3hqy h ASP 747 Cb 0.17 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hqy h ASP 747 CO -0.17 0.90 -0.54 0.78 -1.72 0.00 0.00 179.24 178.49 3hqy h ASN 748 N 1.08 0.60 -0.44 6.45 -0.26 -0.74 -1.70 115.58 120.57 3hqy h ASN 748 Ca 0.25 -0.32 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 3hqy h ASN 748 Cb 0.21 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.24 3hqy h ASN 748 CO -0.02 1.02 0.16 0.25 -1.06 0.00 0.00 177.43 177.78 3hqy h LEU 749 N 0.42 0.17 -1.34 1.61 5.85 -0.75 -1.31 115.31 119.95 3hqy h LEU 749 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hqy h LEU 749 Cb 1.07 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3hqy h LEU 749 CO 0.10 0.13 0.42 0.78 -0.34 0.00 0.00 178.44 179.53 3hqy h ASN 750 N 0.33 0.75 -0.61 1.25 2.35 -0.93 -0.96 115.58 117.76 3hqy h ASN 750 Ca 0.21 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3hqy h ASN 750 Cb 0.19 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3hqy h ASN 750 CO -0.21 0.55 0.07 1.56 -1.65 0.00 0.00 177.43 177.76 3hqy h GLN 751 N 0.88 1.04 -0.49 0.81 1.08 -0.59 -0.82 115.11 117.02 3hqy h GLN 751 Ca 0.24 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3hqy h GLN 751 Cb -0.09 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3hqy h GLN 751 CO -0.05 0.98 0.02 -1.49 -0.95 0.00 0.00 178.83 177.35 3hqy h TRP 752 N 0.94 0.91 -0.78 2.96 4.06 -0.56 -0.30 115.95 123.19 3hqy h TRP 752 Ca 0.18 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 61.02 3hqy h TRP 752 Cb 0.47 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.34 3hqy h TRP 752 CO 0.03 0.86 0.52 0.93 -3.56 0.00 0.00 178.44 177.22 3hqy h GLU 753 N 0.71 0.92 -0.45 0.49 5.08 -1.01 -2.26 114.58 118.06 3hqy h GLU 753 Ca 0.14 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3hqy h GLU 753 Cb 0.48 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3hqy h GLU 753 CO 0.02 0.61 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.26 3hqy h LYS 754 N 0.95 0.87 -0.99 2.33 3.64 -0.52 -2.42 116.57 120.44 3hqy h LYS 754 Ca 0.32 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3hqy h LYS 754 Cb 0.07 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 3hqy h LYS 754 CO -0.09 0.97 0.64 0.28 -2.27 0.00 0.00 179.45 178.98 3hqy h VAL 755 N 0.77 1.12 -0.13 2.00 2.07 -0.51 -2.77 116.25 118.80 3hqy h VAL 755 Ca 0.12 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 3hqy h VAL 755 Cb 0.69 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3hqy h VAL 755 CO 0.05 0.22 -0.65 0.40 0.02 0.00 0.00 177.57 177.61 3hqy h ILE 756 N 1.20 1.35 0.00 4.57 2.04 -1.16 -3.52 117.51 121.98 3hqy h ILE 756 Ca 0.41 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3hqy h ILE 756 Cb 0.10 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3hqy h ILE 756 CO -0.15 0.60 0.00 0.54 0.00 0.00 0.00 178.15 179.14