#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvy h VAL 463 N 0.00 0.13 0.00 1.61 2.07 -1.95 -3.22 116.25 114.89 2pvy h VAL 463 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pvy h VAL 463 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2pvy h VAL 463 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 2pvy n SER 464 N -5.54 0.00 -4.06 0.57 3.41 -1.26 -3.21 113.62 103.53 2pvy n SER 464 Ca 0.12 0.31 -0.40 0.00 -0.26 0.00 0.00 58.87 58.64 2pvy n SER 464 Cb 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 2pvy n SER 464 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2pvy n GLU 465 N -0.40 2.21 -3.72 4.33 0.00 -1.23 -4.77 120.64 117.05 2pvy n GLU 465 Ca 0.00 -2.47 -0.14 0.00 0.00 0.00 0.00 57.16 54.55 2pvy n GLU 465 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 31.44 28.05 2pvy n GLU 465 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2pvy s TYR 466 N 5.74 -0.27 -0.10 -1.84 5.04 -1.20 -4.87 117.35 119.86 2pvy s TYR 466 Ca 0.57 0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2pvy s TYR 466 Cb 0.09 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.60 2pvy s TYR 466 CO 0.06 -0.42 0.16 -1.21 -1.34 0.00 0.00 175.55 172.80 2pvy s GLU 467 N -1.25 0.05 0.08 4.97 2.02 -1.26 -5.01 118.70 118.29 2pvy s GLU 467 Ca -0.13 0.52 -0.31 0.00 0.02 0.00 0.00 54.97 55.08 2pvy s GLU 467 Cb -0.04 -0.38 -0.09 0.00 0.10 0.00 0.00 34.13 33.72 2pvy s GLU 467 CO 0.05 -0.34 1.82 -0.51 0.02 0.00 0.00 175.26 176.30 2pvy s LEU 468 N 2.29 4.40 1.18 1.80 1.02 -1.26 -4.99 118.68 123.12 2pvy s LEU 468 Ca 0.03 2.65 -0.19 0.00 0.02 0.00 0.00 54.13 56.65 2pvy s LEU 468 Cb -0.12 -3.55 0.28 0.00 0.02 0.00 0.00 46.19 42.81 2pvy s LEU 468 CO -0.06 -0.99 1.12 -2.16 0.02 0.00 0.00 176.35 174.27 2pvy s PRO 469 N 3.27 -1.07 -0.16 1.29 0.04 -1.26 -4.88 135.00 132.24 2pvy s PRO 469 Ca 0.81 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2pvy s PRO 469 Cb -0.43 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2pvy s PRO 469 CO 0.37 -3.61 0.21 -1.83 0.04 0.00 0.00 177.00 172.18 2pvy s GLU 470 N -5.41 4.09 -0.44 4.56 1.03 -1.26 -4.86 118.70 116.41 2pvy s GLU 470 Ca 0.71 -0.05 0.02 0.00 0.03 0.00 0.00 54.97 55.68 2pvy s GLU 470 Cb -0.10 -3.38 0.14 0.00 -0.80 0.00 0.00 34.13 29.99 2pvy s GLU 470 CO 0.56 0.37 0.24 0.34 -1.33 0.00 0.00 175.26 175.44 2pvy s ASP 471 N 0.12 3.57 0.06 0.83 3.68 -1.26 -5.05 116.67 118.62 2pvy s ASP 471 Ca 0.13 -2.61 -0.12 0.00 2.13 0.00 0.00 52.55 52.08 2pvy s ASP 471 Cb -0.12 -0.98 -0.03 0.00 -1.45 0.00 0.00 42.92 40.34 2pvy s ASP 471 CO 0.02 -0.27 1.12 -2.65 0.13 0.00 0.00 175.17 173.53 2pvy n PRO 472 N 3.55 -0.17 0.30 4.34 -0.02 -1.26 -1.89 135.00 139.85 2pvy n PRO 472 Ca 0.09 1.11 0.13 0.00 -2.02 0.00 0.00 63.50 62.81 2pvy n PRO 472 Cb 0.35 -1.65 0.69 0.00 -0.02 0.00 0.00 33.50 32.87 2pvy n PRO 472 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2pvy h LYS 473 N 0.00 0.00 0.00 -0.52 2.10 -2.04 -2.48 116.57 113.63 2pvy h LYS 473 Ca 0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2pvy h LYS 473 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2pvy h LYS 473 CO -0.36 0.00 -1.55 0.91 -2.00 0.00 0.00 179.45 176.44 2pvy n TRP 474 N -2.70 0.00 -1.92 0.07 7.02 -0.80 -5.03 117.44 114.09 2pvy n TRP 474 Ca -0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.05 2pvy n TRP 474 Cb 0.39 -0.29 -0.01 0.00 -2.42 0.00 0.00 31.31 28.99 2pvy n TRP 474 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2pvy s GLU 475 N -2.79 4.20 -0.06 -0.99 2.56 -0.88 -1.67 118.70 119.07 2pvy s GLU 475 Ca -0.04 2.44 0.01 0.00 0.00 0.00 0.00 54.97 57.37 2pvy s GLU 475 Cb 0.07 -3.01 0.02 0.00 2.00 0.00 0.00 34.13 33.22 2pvy s GLU 475 CO 0.49 -0.41 -0.04 0.12 -0.56 0.00 0.00 175.26 174.86 2pvy s PHE 476 N -1.06 0.85 0.20 5.30 5.36 -0.50 -4.80 117.98 123.33 2pvy s PHE 476 Ca 0.52 -0.27 -0.33 0.00 -0.96 0.00 0.00 56.93 55.89 2pvy s PHE 476 Cb -0.44 -0.77 -0.13 0.00 -0.34 0.00 0.00 43.02 41.34 2pvy s PHE 476 CO 0.58 -0.25 1.56 -0.35 -1.46 0.00 0.00 175.22 175.31 2pvy n PRO 477 N 4.32 2.27 0.13 10.12 -0.04 -1.26 -4.31 135.00 146.23 2pvy n PRO 477 Ca -0.20 0.81 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 2pvy n PRO 477 Cb 0.51 -2.57 0.35 0.00 -0.04 0.00 0.00 33.50 31.74 2pvy n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pvy h ARG 478 N 5.58 0.18 0.00 0.54 3.08 -1.96 -2.47 114.38 119.32 2pvy h ARG 478 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pvy h ARG 478 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2pvy h ARG 478 CO 0.86 0.43 0.00 -0.40 -1.07 0.00 0.00 179.97 179.79 2pvy n ASP 479 N -4.18 0.49 -0.85 7.04 5.75 -1.26 -2.08 116.55 121.46 2pvy n ASP 479 Ca -0.01 0.62 0.12 0.00 -0.01 0.00 0.00 54.79 55.51 2pvy n ASP 479 Cb 0.35 -0.72 0.23 0.00 -1.03 0.00 0.00 41.12 39.95 2pvy n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pvy n LYS 480 N -2.03 2.16 -4.97 0.11 4.76 -0.93 -4.90 118.16 112.35 2pvy n LYS 480 Ca 0.03 -1.70 -0.32 0.00 -2.87 0.00 0.00 58.31 53.44 2pvy n LYS 480 Cb 0.22 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.79 2pvy n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pvy s LEU 481 N -1.91 2.41 -0.29 -0.35 2.96 -0.88 -2.19 118.68 118.43 2pvy s LEU 481 Ca 0.32 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2pvy s LEU 481 Cb 0.20 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.44 2pvy s LEU 481 CO 0.31 0.16 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.57 2pvy s THR 482 N 0.36 2.62 0.24 3.68 2.01 -0.52 -4.99 115.64 119.05 2pvy s THR 482 Ca -0.14 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 59.98 2pvy s THR 482 Cb -0.17 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 2pvy s THR 482 CO 0.07 -0.13 1.34 -0.76 -0.69 0.00 0.00 174.62 174.45 2pvy s LEU 483 N 1.16 4.41 0.00 4.42 1.43 -1.26 -1.71 118.68 127.14 2pvy s LEU 483 Ca -0.05 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2pvy s LEU 483 Cb -0.20 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2pvy s LEU 483 CO -0.03 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2pvy n GLY 484 N 2.02 3.42 3.76 -3.19 0.00 0.35 -4.94 105.19 106.61 2pvy n GLY 484 Ca 0.05 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 2pvy n GLY 484 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy s LYS 485 N 3.87 4.63 0.42 1.61 1.02 -1.26 -4.54 119.74 125.51 2pvy s LYS 485 Ca 0.00 1.25 -0.25 0.00 0.02 0.00 0.00 55.97 56.98 2pvy s LYS 485 Cb 0.00 -3.30 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 2pvy s LYS 485 CO 0.00 0.47 1.27 -0.35 -0.92 0.00 0.00 175.35 175.82 2pvy n PRO 486 N 1.91 1.93 -0.13 -1.68 -0.04 -1.26 -0.75 135.00 134.97 2pvy n PRO 486 Ca -0.03 0.69 -0.23 0.00 -0.04 0.00 0.00 63.50 63.88 2pvy n PRO 486 Cb 0.49 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 2pvy n PRO 486 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pvy n LEU 487 N 0.19 2.58 -4.69 1.53 4.77 -1.26 -4.77 117.00 115.35 2pvy n LEU 487 Ca 0.07 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2pvy n LEU 487 Cb 0.40 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 2pvy n LEU 487 CO 0.59 0.80 0.83 -1.58 -1.33 0.00 0.00 177.39 176.70 2pvy s GLN 494 N -2.52 4.41 -0.09 3.23 0.74 -1.12 -4.87 119.66 119.45 2pvy s GLN 494 Ca -0.37 1.47 0.04 0.00 0.05 0.00 0.00 55.36 56.55 2pvy s GLN 494 Cb 0.11 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.68 2pvy s GLN 494 CO 0.56 -0.34 -0.21 0.08 -0.55 0.00 0.00 175.29 174.82 2pvy s VAL 495 N 2.04 1.84 0.15 1.34 1.01 -1.26 -0.62 120.40 124.90 2pvy s VAL 495 Ca 0.50 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2pvy s VAL 495 Cb -0.20 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2pvy s VAL 495 CO 0.19 0.51 -0.19 0.68 0.00 0.00 0.00 175.10 176.30 2pvy s VAL 496 N 0.37 1.80 0.65 2.92 -7.23 -0.36 -4.54 120.40 114.01 2pvy s VAL 496 Ca -0.17 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 2pvy s VAL 496 Cb -0.17 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 2pvy s VAL 496 CO 0.07 -0.26 1.05 -0.32 -0.31 0.00 0.00 175.10 175.33 2pvy s MET 497 N -2.61 3.25 0.12 4.82 1.75 0.07 -0.54 119.30 126.17 2pvy s MET 497 Ca 0.14 0.93 -0.25 0.00 -1.25 0.00 0.00 55.69 55.26 2pvy s MET 497 Cb -0.07 -2.03 0.07 0.00 2.84 0.00 0.00 34.83 35.64 2pvy s MET 497 CO 0.06 -0.85 0.85 0.00 -0.65 0.00 0.00 175.02 174.43 2pvy s ALA 498 N -2.97 -1.64 -0.16 4.11 0.00 0.65 0.13 121.76 121.88 2pvy s ALA 498 Ca 0.58 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.95 2pvy s ALA 498 Cb -0.13 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.64 2pvy s ALA 498 CO 0.50 -0.89 -0.21 -1.21 0.00 0.00 0.00 175.76 173.95 2pvy s GLU 499 N -3.40 3.01 -0.23 0.00 2.02 -0.69 0.32 118.70 119.73 2pvy s GLU 499 Ca 0.08 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 2pvy s GLU 499 Cb -0.02 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.70 2pvy s GLU 499 CO -0.03 -0.13 -0.06 0.00 0.02 0.00 0.00 175.26 175.06 2pvy s ALA 500 N 1.09 2.73 -0.24 5.21 0.00 0.58 -1.43 121.76 129.69 2pvy s ALA 500 Ca -0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 2pvy s ALA 500 Cb -0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2pvy s ALA 500 CO -0.08 -0.55 0.74 0.08 0.00 0.00 0.00 175.76 175.94 2pvy s VAL 501 N 1.41 4.91 0.00 0.00 1.01 -0.93 -0.93 120.40 125.87 2pvy s VAL 501 Ca 0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2pvy s VAL 501 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2pvy s VAL 501 CO -0.05 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pvy n GLY 502 N 3.91 0.58 0.46 4.51 0.00 -0.50 -4.86 105.19 109.29 2pvy n GLY 502 Ca 0.03 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.32 2pvy n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pvy h ILE 503 N 0.00 0.46 -3.22 -0.61 6.09 -1.80 -2.88 117.51 115.55 2pvy h ILE 503 Ca 0.00 0.00 -0.74 0.00 -1.37 0.00 0.00 64.86 62.75 2pvy h ILE 503 Cb 0.02 0.53 -0.23 0.00 0.47 0.00 0.00 36.82 37.62 2pvy h ILE 503 CO 0.00 0.00 -0.27 -0.62 -3.07 0.00 0.00 178.15 174.19 2pvy s ASP 504 N -5.38 6.17 0.00 2.19 -1.08 -1.26 -4.92 116.67 112.38 2pvy s ASP 504 Ca -0.05 -1.47 0.02 0.00 -0.52 0.00 0.00 52.55 50.53 2pvy s ASP 504 Cb 0.20 -2.20 0.08 0.00 -1.46 0.00 0.00 42.92 39.54 2pvy s ASP 504 CO 0.70 -0.74 0.72 0.29 0.52 0.00 0.00 175.17 176.66 2pvy n LYS 505 N 5.27 0.03 0.00 4.34 5.02 -1.09 -0.63 118.16 131.11 2pvy n LYS 505 Ca -0.13 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 2pvy n LYS 505 Cb 0.42 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 2pvy n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2pvy n ASP 506 N -1.15 0.82 -2.81 4.39 8.00 -1.26 -4.25 116.55 120.29 2pvy n ASP 506 Ca 0.01 -0.75 -0.17 0.00 0.71 0.00 0.00 54.79 54.59 2pvy n ASP 506 Cb 0.01 0.92 -0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2pvy n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pvy n LYS 507 N -1.58 1.77 -0.64 -1.24 5.02 0.20 -4.98 118.16 116.71 2pvy n LYS 507 Ca 0.04 -3.72 0.49 0.00 -2.02 0.00 0.00 58.31 53.10 2pvy n LYS 507 Cb 0.35 -1.68 0.75 0.00 -0.02 0.00 0.00 35.03 34.44 2pvy n LYS 507 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pvy n PRO 508 N -0.06 0.00 0.00 1.97 -0.02 -1.21 0.49 135.00 136.16 2pvy n PRO 508 Ca 0.22 1.03 0.10 0.00 -2.02 0.00 0.00 63.50 62.83 2pvy n PRO 508 Cb 0.69 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2pvy n PRO 508 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pvy n LYS 509 N -3.77 0.02 -2.49 -0.52 4.01 -1.26 -3.69 118.16 110.46 2pvy n LYS 509 Ca 0.41 -0.01 -0.43 0.00 -0.51 0.00 0.00 58.31 57.77 2pvy n LYS 509 Cb 1.89 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 34.89 2pvy n LYS 509 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2pvy s GLU 510 N -2.99 4.17 -0.18 1.97 2.12 0.18 -4.76 118.70 119.20 2pvy s GLU 510 Ca 0.09 1.48 -0.28 0.00 0.36 0.00 0.00 54.97 56.62 2pvy s GLU 510 Cb 0.16 -3.75 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 2pvy s GLU 510 CO 0.82 -0.77 0.95 0.00 -0.54 0.00 0.00 175.26 175.72 2pvy s ALA 511 N 3.59 3.57 0.02 6.30 0.00 -1.26 -1.41 121.76 132.56 2pvy s ALA 511 Ca 0.52 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.70 2pvy s ALA 511 Cb -0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2pvy s ALA 511 CO 0.14 -0.82 -0.19 0.54 0.00 0.00 0.00 175.76 175.43 2pvy s VAL 512 N 2.58 2.68 -0.03 0.00 0.11 -0.11 -4.90 120.40 120.73 2pvy s VAL 512 Ca 0.42 -1.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.10 2pvy s VAL 512 Cb -0.16 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 2pvy s VAL 512 CO 0.11 0.42 0.83 -0.89 -3.33 0.00 0.00 175.10 172.24 2pvy s THR 513 N -0.84 4.94 0.27 5.04 2.01 -1.26 -0.31 115.64 125.49 2pvy s THR 513 Ca 0.13 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.88 2pvy s THR 513 Cb -0.10 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2pvy s THR 513 CO 0.03 0.22 0.25 0.68 -0.69 0.00 0.00 174.62 175.11 2pvy s VAL 514 N 0.81 0.00 -0.07 3.82 -7.23 0.15 -4.32 120.40 113.56 2pvy s VAL 514 Ca 0.44 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2pvy s VAL 514 Cb -0.19 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2pvy s VAL 514 CO 0.23 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.93 2pvy s ALA 515 N -3.77 2.90 -0.17 1.32 0.00 -0.32 -0.26 121.76 121.46 2pvy s ALA 515 Ca 0.37 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2pvy s ALA 515 Cb 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2pvy s ALA 515 CO 0.18 0.54 -0.20 0.08 0.00 0.00 0.00 175.76 176.36 2pvy s VAL 516 N -0.68 1.99 -0.17 0.00 1.01 0.30 -0.54 120.40 122.32 2pvy s VAL 516 Ca 0.10 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2pvy s VAL 516 Cb -0.11 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2pvy s VAL 516 CO 0.01 0.53 0.30 -0.75 0.00 0.00 0.00 175.10 175.19 2pvy s LYS 517 N 1.23 4.25 0.27 2.72 2.20 -0.62 -1.22 119.74 128.57 2pvy s LYS 517 Ca 0.03 0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2pvy s LYS 517 Cb -0.13 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2pvy s LYS 517 CO -0.11 0.20 0.30 0.00 -0.36 0.00 0.00 175.35 175.38 2pvy s MET 518 N 0.58 1.54 0.52 4.03 0.23 0.21 -1.46 119.30 124.94 2pvy s MET 518 Ca 0.16 -1.68 -0.07 0.00 -1.03 0.00 0.00 55.69 53.07 2pvy s MET 518 Cb -0.13 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 2pvy s MET 518 CO 0.04 -0.58 0.85 -0.51 -2.03 0.00 0.00 175.02 172.80 2pvy s LEU 519 N -3.20 3.51 0.50 0.18 1.43 -1.26 -2.79 118.68 117.05 2pvy s LEU 519 Ca 0.35 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 2pvy s LEU 519 Cb 0.03 -4.01 0.05 0.00 0.03 0.00 0.00 46.19 42.28 2pvy s LEU 519 CO 0.17 -0.67 0.69 -0.54 0.23 0.00 0.00 176.35 176.22 2pvy s LYS 520 N -4.86 2.56 0.25 1.70 1.02 -1.26 -4.87 119.74 114.27 2pvy s LYS 520 Ca 0.50 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.12 2pvy s LYS 520 Cb -0.10 -2.67 0.29 0.00 -0.52 0.00 0.00 37.83 34.82 2pvy s LYS 520 CO 0.47 -0.58 1.78 0.22 -0.92 0.00 0.00 175.35 176.32 2pvy h ASP 521 N 0.36 0.88 -0.30 2.83 -0.00 -2.05 -2.53 116.42 115.62 2pvy h ASP 521 Ca -0.36 -0.18 -0.10 0.00 -0.00 0.00 0.00 57.03 56.39 2pvy h ASP 521 Cb 1.28 -0.23 -0.06 0.00 -0.00 0.00 0.00 39.33 40.32 2pvy h ASP 521 CO 0.44 0.87 0.12 0.47 -0.00 0.00 0.00 179.24 181.14 2pvy n ASP 522 N -4.25 3.05 -4.77 2.28 8.00 -1.26 -4.97 116.55 114.63 2pvy n ASP 522 Ca 0.04 -2.48 -0.40 0.00 0.71 0.00 0.00 54.79 52.66 2pvy n ASP 522 Cb 0.25 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 2pvy n ASP 522 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pvy s ALA 523 N -1.47 3.45 0.55 2.24 0.00 -0.95 -5.04 121.76 120.54 2pvy s ALA 523 Ca 0.21 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.57 2pvy s ALA 523 Cb 0.17 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2pvy s ALA 523 CO 0.05 -0.86 0.77 0.95 0.00 0.00 0.00 175.76 176.67 2pvy s THR 524 N -1.17 2.62 0.20 0.00 -4.23 -1.26 -4.98 115.64 106.82 2pvy s THR 524 Ca 0.53 -0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 2pvy s THR 524 Cb -0.42 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 70.64 2pvy s THR 524 CO 0.56 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 176.05 2pvy h GLU 525 N 0.08 1.09 0.00 3.99 5.08 -2.01 -2.52 114.58 120.29 2pvy h GLU 525 Ca -0.40 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 57.71 2pvy h GLU 525 Cb 1.29 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2pvy h GLU 525 CO 0.49 0.92 -0.13 -0.22 -1.00 0.00 0.00 179.01 179.07 2pvy h LYS 526 N 1.04 0.00 -0.48 2.33 1.63 -1.98 -1.50 116.57 117.60 2pvy h LYS 526 Ca 0.23 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 2pvy h LYS 526 Cb 0.26 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2pvy h LYS 526 CO -0.01 0.13 0.09 -0.44 -3.45 0.00 0.00 179.45 175.77 2pvy h ASP 527 N 0.00 0.75 -0.48 4.20 3.32 -1.83 0.18 116.42 122.56 2pvy h ASP 527 Ca -0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2pvy h ASP 527 Cb 0.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2pvy h ASP 527 CO 0.02 0.81 -0.03 0.25 -1.72 0.00 0.00 179.24 178.58 2pvy h LEU 528 N 0.66 0.85 -0.72 1.55 5.85 -1.37 -1.37 115.31 120.76 2pvy h LEU 528 Ca 0.15 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2pvy h LEU 528 Cb 0.37 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2pvy h LEU 528 CO 0.01 0.97 0.47 -1.28 -0.34 0.00 0.00 178.44 178.27 2pvy h SER 529 N 0.71 0.82 -0.33 1.25 0.87 -1.00 -1.30 113.55 114.57 2pvy h SER 529 Ca 0.13 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 2pvy h SER 529 Cb 0.55 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2pvy h SER 529 CO 0.03 0.59 -0.30 0.44 -0.53 0.00 0.00 176.83 177.05 2pvy h ASP 530 N 0.96 0.88 -0.55 6.23 3.32 -0.44 -1.75 116.42 125.08 2pvy h ASP 530 Ca 0.27 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2pvy h ASP 530 Cb -0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 2pvy h ASP 530 CO -0.06 1.12 0.04 0.25 -1.72 0.00 0.00 179.24 178.86 2pvy h LEU 531 N 0.72 0.91 -0.09 1.55 5.85 -0.95 0.18 115.31 123.48 2pvy h LEU 531 Ca 0.08 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2pvy h LEU 531 Cb 0.86 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2pvy h LEU 531 CO 0.08 0.97 0.04 0.58 -0.34 0.00 0.00 178.44 179.77 2pvy h VAL 532 N 0.82 1.13 -0.46 1.05 2.07 -1.18 -1.35 116.25 118.33 2pvy h VAL 532 Ca 0.16 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2pvy h VAL 532 Cb 0.48 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2pvy h VAL 532 CO 0.02 0.11 0.25 -1.28 0.02 0.00 0.00 177.57 176.69 2pvy h SER 533 N 0.00 0.38 -0.26 0.57 0.87 -1.09 -0.50 113.55 113.52 2pvy h SER 533 Ca 0.03 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2pvy h SER 533 Cb 0.14 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 2pvy h SER 533 CO -0.00 0.27 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.44 2pvy h GLU 534 N 0.50 0.02 -0.49 2.24 4.81 -0.47 0.65 114.58 121.84 2pvy h GLU 534 Ca 0.19 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2pvy h GLU 534 Cb 0.07 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2pvy h GLU 534 CO -0.12 0.01 0.26 1.98 -0.73 0.00 0.00 179.01 180.42 2pvy h MET 535 N 0.02 0.51 -0.47 1.92 4.05 -0.69 -2.24 114.93 118.03 2pvy h MET 535 Ca 0.13 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2pvy h MET 535 Cb 0.18 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2pvy h MET 535 CO -0.25 0.34 -0.01 0.93 0.23 0.00 0.00 176.91 178.14 2pvy h GLU 536 N 0.52 0.78 -0.45 0.39 4.39 -0.51 -2.37 114.58 117.33 2pvy h GLU 536 Ca 0.21 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2pvy h GLU 536 Cb 0.09 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2pvy h GLU 536 CO -0.13 0.80 0.22 0.52 -1.16 0.00 0.00 179.01 179.26 2pvy h MET 537 N 0.73 0.65 -0.01 2.33 2.86 -0.55 -2.79 114.93 118.15 2pvy h MET 537 Ca 0.14 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2pvy h MET 537 Cb 0.46 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2pvy h MET 537 CO 0.02 0.55 -0.24 0.52 1.06 0.00 0.00 176.91 178.81 2pvy h MET 538 N 0.59 0.01 -0.61 1.72 2.86 -1.16 -2.77 114.93 115.58 2pvy h MET 538 Ca 0.16 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2pvy h MET 538 Cb 0.11 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2pvy h MET 538 CO -0.02 0.26 0.06 0.87 1.06 0.00 0.00 176.91 179.14 2pvy h LYS 539 N 0.01 1.03 -0.65 1.72 1.57 -1.16 -3.11 116.57 115.98 2pvy h LYS 539 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2pvy h LYS 539 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2pvy h LYS 539 CO 0.03 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.89 2pvy n MET 540 N -4.25 3.41 -0.01 3.15 0.00 -1.06 -4.16 117.12 114.20 2pvy n MET 540 Ca 0.03 -2.21 0.10 0.00 0.00 0.00 0.00 57.70 55.62 2pvy n MET 540 Cb 0.30 -1.88 -0.15 0.00 0.00 0.00 0.00 33.22 31.49 2pvy n MET 540 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2pvy n ILE 541 N 0.64 0.00 -0.66 3.17 5.41 -1.12 -5.05 119.36 121.74 2pvy n ILE 541 Ca 0.20 -0.43 0.05 0.00 1.00 0.00 0.00 62.75 63.56 2pvy n ILE 541 Cb 0.81 0.08 -0.03 0.00 -0.71 0.00 0.00 39.64 39.79 2pvy n ILE 541 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2pvy n GLY 542 N 1.41 -3.12 3.75 7.39 0.00 -1.26 -4.93 105.19 108.42 2pvy n GLY 542 Ca -0.03 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 2pvy n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy s LYS 543 N -3.98 2.28 -0.29 1.61 -0.14 -1.26 -5.04 119.74 112.91 2pvy s LYS 543 Ca 0.00 1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 55.79 2pvy s LYS 543 Cb 0.00 -1.88 0.18 0.00 -1.68 0.00 0.00 37.83 34.45 2pvy s LYS 543 CO 0.00 -1.66 1.38 -1.58 -0.76 0.00 0.00 175.35 172.73 2pvy s HIS 544 N -2.45 -0.12 0.38 3.18 2.46 -1.26 -5.05 115.29 112.44 2pvy s HIS 544 Ca 0.67 0.28 0.36 0.00 0.47 0.00 0.00 55.06 56.84 2pvy s HIS 544 Cb -0.22 0.47 1.77 0.00 -0.13 0.00 0.00 32.58 34.46 2pvy s HIS 544 CO 0.48 -0.06 2.14 -0.22 -2.47 0.00 0.00 174.74 174.62 2pvy h LYS 545 N 3.25 0.00 -0.61 2.88 3.64 -1.96 -2.82 116.57 120.95 2pvy h LYS 545 Ca -0.27 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.92 2pvy h LYS 545 Cb 1.19 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.90 2pvy h LYS 545 CO 0.17 0.03 0.19 0.09 -2.27 0.00 0.00 179.45 177.67 2pvy n ASN 546 N -3.23 4.20 -3.82 4.20 5.03 -1.26 -4.72 115.26 115.66 2pvy n ASN 546 Ca -0.01 -3.31 -0.15 0.00 0.87 0.00 0.00 54.58 51.98 2pvy n ASN 546 Cb 0.21 -0.70 -0.15 0.00 -1.02 0.00 0.00 39.78 38.11 2pvy n ASN 546 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pvy s ILE 547 N -3.03 0.06 0.13 2.41 1.01 -1.07 -0.98 121.20 119.73 2pvy s ILE 547 Ca 0.51 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.95 2pvy s ILE 547 Cb 0.42 -0.14 -0.09 0.00 0.01 0.00 0.00 42.46 42.66 2pvy s ILE 547 CO 0.10 0.09 1.52 -0.63 0.00 0.00 0.00 174.94 176.02 2pvy s ILE 548 N 0.73 2.91 0.22 2.92 -1.09 -0.25 -4.65 121.20 121.98 2pvy s ILE 548 Ca -0.07 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.05 2pvy s ILE 548 Cb -0.09 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2pvy s ILE 548 CO -0.02 0.04 -0.03 0.54 -1.23 0.00 0.00 174.94 174.25 2pvy s ASN 549 N 1.33 4.53 0.16 3.58 6.03 -1.26 -4.95 114.94 124.36 2pvy s ASN 549 Ca 0.69 -0.56 -0.30 0.00 -1.03 0.00 0.00 52.86 51.66 2pvy s ASN 549 Cb -0.41 -0.86 -0.07 0.00 -3.03 0.00 0.00 41.25 36.88 2pvy s ASN 549 CO 0.31 0.05 1.13 -0.22 -2.03 0.00 0.00 177.10 176.34 2pvy s LEU 550 N -3.26 4.46 -0.01 3.54 2.96 -1.26 -2.30 118.68 122.81 2pvy s LEU 550 Ca 0.29 2.11 0.11 0.00 -0.22 0.00 0.00 54.13 56.41 2pvy s LEU 550 Cb -0.08 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 2pvy s LEU 550 CO 0.18 -0.28 0.39 0.18 -1.32 0.00 0.00 176.35 175.50 2pvy n LEU 551 N 2.59 0.33 0.00 -0.68 4.77 0.14 -4.93 117.00 119.21 2pvy n LEU 551 Ca 0.04 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2pvy n LEU 551 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2pvy n LEU 551 CO 0.54 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2pvy n GLY 552 N 1.49 -0.22 3.51 -0.72 0.00 -1.02 -4.98 105.19 103.23 2pvy n GLY 552 Ca 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 2pvy n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pvy s ALA 553 N -1.21 -1.76 -0.65 4.61 0.00 -0.67 -0.04 121.76 122.03 2pvy s ALA 553 Ca 0.00 1.18 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 2pvy s ALA 553 Cb 0.00 0.10 0.17 0.00 0.00 0.00 0.00 23.12 23.39 2pvy s ALA 553 CO 0.00 -0.45 0.52 0.00 0.00 0.00 0.00 175.76 175.82 2pvy n THR 555 N 4.01 1.44 -2.76 0.00 -2.24 -1.26 -2.10 114.28 111.37 2pvy n THR 555 Ca 0.06 -0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 2pvy n THR 555 Cb 0.41 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 2pvy n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pvy s GLN 556 N -2.51 4.54 -0.27 -0.78 -1.52 -1.26 -4.57 119.66 113.29 2pvy s GLN 556 Ca -0.21 1.33 -0.22 0.00 -1.95 0.00 0.00 55.36 54.31 2pvy s GLN 556 Cb 0.07 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 30.14 2pvy s GLN 556 CO 0.73 0.24 0.39 -0.25 -0.25 0.00 0.00 175.29 176.14 2pvy n ASP 557 N 0.46 -3.15 0.00 5.90 8.00 -1.26 -4.86 116.55 121.63 2pvy n ASP 557 Ca 0.02 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2pvy n ASP 557 Cb 0.50 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2pvy n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pvy n GLY 558 N -0.14 0.14 3.77 0.44 0.00 -1.26 -5.10 105.19 103.02 2pvy n GLY 558 Ca -0.06 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 2pvy n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pvy s PRO 559 N -1.23 3.13 -0.08 1.61 0.04 -1.26 -4.92 135.00 132.30 2pvy s PRO 559 Ca 0.00 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 2pvy s PRO 559 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2pvy s PRO 559 CO 0.00 -1.04 1.32 -1.17 0.04 0.00 0.00 177.00 176.15 2pvy s LEU 560 N -4.08 4.26 -0.16 -3.56 2.96 -1.26 -4.70 118.68 112.14 2pvy s LEU 560 Ca 0.73 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 56.56 2pvy s LEU 560 Cb -0.25 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.90 2pvy s LEU 560 CO 0.31 -0.71 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.11 2pvy s TYR 561 N 2.87 2.71 -0.43 5.38 2.02 -0.89 -4.37 117.35 124.63 2pvy s TYR 561 Ca 0.59 -1.50 -0.09 0.00 -0.37 0.00 0.00 57.07 55.71 2pvy s TYR 561 Cb -0.26 -1.86 0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2pvy s TYR 561 CO 0.22 -0.71 0.28 0.08 -1.57 0.00 0.00 175.55 173.85 2pvy s VAL 562 N 1.07 4.24 -0.33 0.71 1.01 -0.54 -1.16 120.40 125.41 2pvy s VAL 562 Ca -0.01 -1.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.22 2pvy s VAL 562 Cb -0.14 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2pvy s VAL 562 CO -0.08 -0.58 0.90 -0.63 0.00 0.00 0.00 175.10 174.72 2pvy s ILE 563 N 1.41 4.66 0.39 2.22 1.01 0.94 -1.58 121.20 130.24 2pvy s ILE 563 Ca 0.04 1.31 0.08 0.00 0.00 0.00 0.00 60.65 62.07 2pvy s ILE 563 Cb -0.24 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.88 2pvy s ILE 563 CO 0.01 -0.40 -0.02 0.68 0.00 0.00 0.00 174.94 175.21 2pvy s VAL 564 N 3.29 2.07 0.37 2.92 -7.23 0.30 0.24 120.40 122.36 2pvy s VAL 564 Ca 0.37 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 2pvy s VAL 564 Cb -0.13 -2.91 -0.09 0.00 0.56 0.00 0.00 36.38 33.82 2pvy s VAL 564 CO 0.15 -0.05 1.09 -1.83 -0.31 0.00 0.00 175.10 174.15 2pvy s GLU 565 N -3.68 4.23 0.00 4.82 -1.05 -0.97 -1.17 118.70 120.88 2pvy s GLU 565 Ca 0.34 1.65 -0.26 0.00 -0.15 0.00 0.00 54.97 56.55 2pvy s GLU 565 Cb 0.08 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 2pvy s GLU 565 CO 0.18 -0.11 0.82 -0.47 0.95 0.00 0.00 175.26 176.62 2pvy s TYR 566 N -1.49 3.67 -0.26 4.83 5.04 -1.26 -4.48 117.35 123.39 2pvy s TYR 566 Ca 0.55 1.48 -0.08 0.00 -2.44 0.00 0.00 57.07 56.58 2pvy s TYR 566 Cb -0.26 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.11 2pvy s TYR 566 CO 0.33 0.13 0.11 0.00 -1.34 0.00 0.00 175.55 174.78 2pvy s ALA 567 N 0.51 3.26 0.33 3.97 0.00 -1.26 -4.99 121.76 123.58 2pvy s ALA 567 Ca 0.42 -1.15 0.25 0.00 0.00 0.00 0.00 51.96 51.48 2pvy s ALA 567 Cb -0.20 -2.21 1.20 0.00 0.00 0.00 0.00 23.12 21.92 2pvy s ALA 567 CO 0.23 -0.55 1.97 0.66 0.00 0.00 0.00 175.76 178.07 2pvy h SER 568 N 8.28 0.00 -0.54 0.00 4.64 -1.94 -3.29 113.55 120.70 2pvy h SER 568 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2pvy h SER 568 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pvy h SER 568 CO 0.58 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 177.01 2pvy n LYS 569 N -3.62 2.69 -0.08 4.77 4.76 0.14 -5.00 118.16 121.82 2pvy n LYS 569 Ca -0.01 -2.37 0.01 0.00 -2.87 0.00 0.00 58.31 53.07 2pvy n LYS 569 Cb 0.32 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2pvy n LYS 569 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pvy n GLY 570 N 1.21 -1.94 3.80 0.72 0.00 -1.23 -4.67 105.19 103.08 2pvy n GLY 570 Ca 0.19 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2pvy n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy s ASN 571 N -3.78 6.68 0.22 1.61 2.20 -1.26 -0.64 114.94 119.97 2pvy s ASN 571 Ca 0.00 1.87 -0.08 0.00 -0.94 0.00 0.00 52.86 53.72 2pvy s ASN 571 Cb 0.00 -2.56 0.34 0.00 -2.00 0.00 0.00 41.25 37.02 2pvy s ASN 571 CO 0.00 -0.54 1.75 0.25 -2.94 0.00 0.00 177.10 175.62 2pvy h LEU 572 N 1.98 0.29 -0.16 3.54 5.85 -0.29 -0.90 115.31 125.63 2pvy h LEU 572 Ca -0.49 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2pvy h LEU 572 Cb 1.21 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 2pvy h LEU 572 CO 0.61 0.16 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.56 2pvy h ARG 573 N 0.46 -0.25 -0.09 1.25 2.43 -1.77 0.14 114.38 116.55 2pvy h ARG 573 Ca 0.34 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.37 2pvy h ARG 573 Cb 0.44 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2pvy h ARG 573 CO -0.32 -0.17 -0.64 0.93 -1.51 0.00 0.00 179.97 178.26 2pvy h GLU 574 N -0.26 0.33 -0.80 0.20 5.08 -1.86 -1.93 114.58 115.34 2pvy h GLU 574 Ca 0.11 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2pvy h GLU 574 Cb 0.42 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2pvy h GLU 574 CO -0.31 0.86 0.50 -0.92 -1.00 0.00 0.00 179.01 178.14 2pvy h TYR 575 N 0.24 0.93 -0.08 4.33 3.20 -0.52 -1.42 116.97 123.65 2pvy h TYR 575 Ca -0.01 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 2pvy h TYR 575 Cb 1.17 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.15 2pvy h TYR 575 CO 0.03 0.50 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.29 2pvy h LEU 576 N 0.94 0.74 -1.38 2.82 3.38 -0.61 -3.26 115.31 117.94 2pvy h LEU 576 Ca 0.34 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2pvy h LEU 576 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2pvy h LEU 576 CO -0.15 1.31 0.02 0.03 0.09 0.00 0.00 178.44 179.74 2pvy h ARG 577 N 0.24 0.43 -0.30 1.13 3.08 -1.15 -2.05 114.38 115.75 2pvy h ARG 577 Ca -0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2pvy h ARG 577 Cb 1.34 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 2pvy h ARG 577 CO 0.14 0.44 0.17 0.00 -1.07 0.00 0.00 179.97 179.65 2pvy h ALA 578 N 1.61 1.73 -0.83 0.04 0.00 -1.31 -2.98 119.26 117.52 2pvy h ALA 578 Ca 0.10 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.41 2pvy h ALA 578 Cb 0.25 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 17.61 2pvy h ALA 578 CO 0.00 0.23 0.24 2.89 0.00 0.00 0.00 179.25 182.62 2pvy n ARG 579 N -4.46 2.77 -1.95 0.00 0.00 -0.77 -1.03 116.66 111.21 2pvy n ARG 579 Ca 0.01 -3.49 -0.32 0.00 -0.00 0.00 0.00 57.85 54.06 2pvy n ARG 579 Cb 0.09 -2.20 0.01 0.00 -0.00 0.00 0.00 32.46 30.35 2pvy n ARG 579 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2pvy s ARG 580 N -3.62 3.48 0.68 2.89 0.52 -1.13 -4.08 118.95 117.70 2pvy s ARG 580 Ca 0.57 0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 56.54 2pvy s ARG 580 Cb 0.46 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.88 2pvy s ARG 580 CO 0.02 -0.66 1.18 -2.14 0.02 0.00 0.00 175.30 173.72 2pvy s PRO 581 N -4.72 2.47 0.10 3.54 0.02 -1.26 -4.87 135.00 130.28 2pvy s PRO 581 Ca 0.58 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.98 2pvy s PRO 581 Cb -0.12 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 2pvy s PRO 581 CO 0.46 -1.56 1.81 -2.14 -0.33 0.00 0.00 177.00 175.24 2pvy s PRO 582 N -3.83 4.15 0.00 5.54 0.02 -1.26 -2.28 135.00 137.34 2pvy s PRO 582 Ca 0.73 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.29 2pvy s PRO 582 Cb -0.27 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.56 2pvy s PRO 582 CO 0.42 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2pvy n GLY 583 N 4.23 1.20 0.00 0.52 0.00 -1.26 -5.07 105.19 104.81 2pvy n GLY 583 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2pvy n GLY 583 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2pvy n MET 584 N -0.96 0.00 0.00 1.61 0.00 -0.97 -5.25 117.12 111.56 2pvy n MET 584 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2pvy n MET 584 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.46 2pvy n MET 584 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2pvy n GLU 585 N 0.00 0.00 -1.57 2.12 0.00 -1.26 -5.11 120.64 114.81 2pvy n GLU 585 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 57.16 56.63 2pvy n GLU 585 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 2pvy n GLU 585 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2pvy n VAL 593 N 0.00 0.13 -0.65 3.84 3.14 -1.26 -5.20 118.33 118.33 2pvy n VAL 593 Ca 0.00 -0.03 -0.29 0.00 -2.96 0.00 0.00 64.34 61.06 2pvy n VAL 593 Cb 0.42 -0.69 0.25 0.00 -1.06 0.00 0.00 33.84 32.76 2pvy n VAL 593 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2pvy s PRO 594 N 0.29 -1.06 -0.03 1.45 0.04 -1.26 -4.87 135.00 129.55 2pvy s PRO 594 Ca 0.84 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2pvy s PRO 594 Cb -0.99 -1.55 0.05 0.00 0.04 0.00 0.00 34.50 32.05 2pvy s PRO 594 CO 0.49 -3.76 0.52 -2.00 0.04 0.00 0.00 177.00 172.28 2pvy s GLU 595 N -4.65 0.90 0.08 4.56 2.56 -0.20 -4.96 118.70 116.99 2pvy s GLU 595 Ca 0.68 0.03 -0.36 0.00 0.00 0.00 0.00 54.97 55.31 2pvy s GLU 595 Cb -0.22 0.42 -0.18 0.00 2.00 0.00 0.00 34.13 36.15 2pvy s GLU 595 CO 0.62 -0.28 1.08 -1.91 -0.56 0.00 0.00 175.26 174.22 2pvy n GLU 596 N 1.00 0.47 -0.69 4.30 4.07 -1.26 -4.10 120.64 124.43 2pvy n GLU 596 Ca -0.20 0.17 -0.32 0.00 -0.06 0.00 0.00 57.16 56.75 2pvy n GLU 596 Cb 0.57 -1.63 0.16 0.00 -0.06 0.00 0.00 31.44 30.48 2pvy n GLU 596 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2pvy n GLN 597 N 1.70 -0.81 -4.10 5.31 6.02 -1.26 -4.69 117.38 119.55 2pvy n GLN 597 Ca 0.18 -0.19 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 2pvy n GLN 597 Cb 0.16 -2.07 -0.07 0.00 1.02 0.00 0.00 30.24 29.27 2pvy n GLN 597 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2pvy s MET 598 N -4.09 3.16 0.46 -1.09 -2.45 -1.26 -5.08 119.30 108.95 2pvy s MET 598 Ca 0.62 -0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 54.62 2pvy s MET 598 Cb -0.21 -2.94 -0.04 0.00 1.25 0.00 0.00 34.83 32.89 2pvy s MET 598 CO 0.64 0.69 0.77 0.95 1.05 0.00 0.00 175.02 179.12 2pvy s THR 599 N -1.09 4.89 0.26 10.11 -4.23 -1.26 -4.96 115.64 119.35 2pvy s THR 599 Ca 0.19 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2pvy s THR 599 Cb -0.12 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.15 2pvy s THR 599 CO 0.09 -0.75 1.90 0.15 -0.54 0.00 0.00 174.62 175.47 2pvy h PHE 600 N 0.52 1.22 -0.90 3.99 3.57 -1.99 -1.12 116.94 122.23 2pvy h PHE 600 Ca -0.47 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2pvy h PHE 600 Cb 1.20 -0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 2pvy h PHE 600 CO 0.59 0.69 0.57 -0.22 -2.23 0.00 0.00 178.31 177.71 2pvy h LYS 601 N 1.25 1.03 -0.51 1.11 1.63 -1.93 -0.42 116.57 118.73 2pvy h LYS 601 Ca 0.40 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.15 2pvy h LYS 601 Cb 0.03 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 2pvy h LYS 601 CO -0.13 0.68 0.34 -0.44 -3.45 0.00 0.00 179.45 176.45 2pvy h ASP 602 N 1.06 0.59 -0.49 4.20 3.32 -1.60 0.07 116.42 123.56 2pvy h ASP 602 Ca 0.38 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 2pvy h ASP 602 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2pvy h ASP 602 CO -0.15 0.42 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.60 2pvy h LEU 603 N 0.69 0.95 -0.53 1.55 3.38 -0.94 -0.57 115.31 119.85 2pvy h LEU 603 Ca 0.19 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2pvy h LEU 603 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2pvy h LEU 603 CO -0.04 1.09 0.24 0.58 0.09 0.00 0.00 178.44 180.40 2pvy h VAL 604 N 0.80 1.21 -0.63 1.22 2.07 -0.88 -2.13 116.25 117.91 2pvy h VAL 604 Ca 0.12 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2pvy h VAL 604 Cb 0.68 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2pvy h VAL 604 CO 0.05 0.24 0.40 -1.28 0.02 0.00 0.00 177.57 177.00 2pvy h SER 605 N 0.72 0.66 -0.26 0.57 0.87 -0.71 -0.66 113.55 114.74 2pvy h SER 605 Ca 0.18 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2pvy h SER 605 Cb 0.16 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2pvy h SER 605 CO -0.02 0.47 0.01 0.00 -0.53 0.00 0.00 176.83 176.75 2pvy h THR 607 N 0.09 1.03 0.48 0.00 2.02 -1.00 -1.47 112.91 114.06 2pvy h THR 607 Ca 0.12 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2pvy h THR 607 Cb 0.16 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2pvy h THR 607 CO -0.20 0.11 -0.30 0.22 0.37 0.00 0.00 175.52 175.71 2pvy h TYR 608 N 0.59 -0.79 -0.62 3.16 3.20 -0.72 -0.38 116.97 121.40 2pvy h TYR 608 Ca 0.21 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.16 2pvy h TYR 608 Cb 0.04 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 2pvy h TYR 608 CO -0.07 -0.46 0.25 1.96 -1.64 0.00 0.00 178.16 178.20 2pvy h GLN 609 N -0.74 0.44 -0.85 1.82 4.20 -1.03 0.14 115.11 119.08 2pvy h GLN 609 Ca -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2pvy h GLN 609 Cb 0.61 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 2pvy h GLN 609 CO 0.05 0.29 0.47 -0.07 -0.67 0.00 0.00 178.83 178.90 2pvy h LEU 610 N 0.45 1.05 -0.74 1.46 3.38 -1.02 0.16 115.31 120.05 2pvy h LEU 610 Ca 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2pvy h LEU 610 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2pvy h LEU 610 CO -0.29 0.84 0.40 0.00 0.09 0.00 0.00 178.44 179.48 2pvy h ALA 611 N 1.25 0.95 -0.45 1.53 0.00 0.02 -0.47 119.26 122.09 2pvy h ALA 611 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pvy h ALA 611 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2pvy h ALA 611 CO -0.05 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.70 2pvy h ARG 612 N 1.03 0.72 -0.31 0.00 3.08 -0.06 0.10 114.38 118.95 2pvy h ARG 612 Ca 0.26 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2pvy h ARG 612 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2pvy h ARG 612 CO -0.04 0.72 -0.13 0.78 -1.07 0.00 0.00 179.97 180.23 2pvy h GLY 613 N 0.94 0.69 1.44 0.04 0.00 -0.07 -2.57 103.07 103.54 2pvy h GLY 613 Ca 0.14 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 2pvy h GLY 613 CO 0.01 0.55 -0.47 -0.33 0.00 0.00 0.00 176.54 176.30 2pvy h MET 614 N 0.39 0.61 -0.69 4.80 2.86 -0.83 -1.90 114.93 120.17 2pvy h MET 614 Ca 0.07 -0.34 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2pvy h MET 614 Cb 0.64 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 2pvy h MET 614 CO 0.04 0.95 0.42 1.49 1.06 0.00 0.00 176.91 180.87 2pvy h GLU 615 N 0.48 0.78 -0.48 1.72 4.81 -0.75 0.30 114.58 121.45 2pvy h GLU 615 Ca 0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2pvy h GLU 615 Cb 1.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2pvy h GLU 615 CO 0.09 0.52 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.82 2pvy h TYR 616 N 0.81 1.02 -0.51 0.92 5.03 -1.30 -1.33 116.97 121.60 2pvy h TYR 616 Ca 0.29 -0.21 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2pvy h TYR 616 Cb 0.07 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 2pvy h TYR 616 CO -0.05 0.98 0.20 1.25 -1.32 0.00 0.00 178.16 179.23 2pvy h LEU 617 N 0.80 0.70 -0.78 2.82 5.85 -0.48 -1.94 115.31 122.30 2pvy h LEU 617 Ca 0.12 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2pvy h LEU 617 Cb 0.68 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2pvy h LEU 617 CO 0.05 0.68 -0.08 0.00 -0.34 0.00 0.00 178.44 178.75 2pvy h ALA 618 N 1.05 0.97 0.00 1.25 0.00 -0.28 -2.12 119.26 120.12 2pvy h ALA 618 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2pvy h ALA 618 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pvy h ALA 618 CO -0.01 0.61 -0.10 0.66 0.00 0.00 0.00 179.25 180.41 2pvy h SER 619 N 0.76 0.00 -0.35 0.00 4.64 -0.80 0.17 113.55 117.97 2pvy h SER 619 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2pvy h SER 619 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2pvy h SER 619 CO 0.04 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 2pvy n GLN 620 N -3.67 1.91 -3.79 4.77 1.13 -0.77 -4.91 117.38 112.05 2pvy n GLN 620 Ca -0.02 -1.31 -0.25 0.00 -1.94 0.00 0.00 57.00 53.49 2pvy n GLN 620 Cb 0.22 -1.32 0.03 0.00 0.11 0.00 0.00 30.24 29.27 2pvy n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pvy n LYS 621 N 0.53 -5.05 -5.11 -1.09 5.02 0.60 -4.92 118.16 108.14 2pvy n LYS 621 Ca 0.12 0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 2pvy n LYS 621 Cb 0.33 -5.25 -0.16 0.00 -0.02 0.00 0.00 35.03 29.93 2pvy n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pvy s ILE 623 N -0.26 3.47 -0.11 0.00 -4.36 -0.17 -4.05 121.20 115.71 2pvy s ILE 623 Ca 0.01 -0.52 -0.25 0.00 -0.26 0.00 0.00 60.65 59.64 2pvy s ILE 623 Cb -0.11 -2.48 -0.27 0.00 1.25 0.00 0.00 42.46 40.85 2pvy s ILE 623 CO 0.02 0.52 0.74 -0.74 0.24 0.00 0.00 174.94 175.71 2pvy h HIS 624 N 6.53 0.22 0.00 1.37 -0.00 -1.91 0.14 115.15 121.50 2pvy h HIS 624 Ca -0.30 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2pvy h HIS 624 Cb 1.20 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2pvy h HIS 624 CO 0.52 1.20 0.00 0.54 -0.00 0.00 0.00 177.93 180.19 2pvy n ARG 625 N -4.37 0.00 -2.57 5.26 1.74 -1.26 -2.99 116.66 112.48 2pvy n ARG 625 Ca -0.15 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 2pvy n ARG 625 Cb 0.65 -2.27 0.03 0.00 -1.02 0.00 0.00 32.46 29.85 2pvy n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pvy n ASP 626 N 0.00 2.72 -4.67 0.55 4.64 -1.26 -4.85 116.55 113.68 2pvy n ASP 626 Ca 0.00 -2.89 -0.43 0.00 -1.38 0.00 0.00 54.79 50.09 2pvy n ASP 626 Cb 0.00 -0.47 -0.02 0.00 -1.04 0.00 0.00 41.12 39.59 2pvy n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pvy s LEU 627 N -3.48 4.19 0.02 -2.67 2.96 -1.26 -4.81 118.68 113.63 2pvy s LEU 627 Ca 0.35 1.61 -0.28 0.00 -0.22 0.00 0.00 54.13 55.60 2pvy s LEU 627 Cb 0.40 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.64 2pvy s LEU 627 CO -0.03 -0.66 0.82 0.00 -1.32 0.00 0.00 176.35 175.17 2pvy s ALA 628 N 2.94 -1.78 0.34 5.97 0.00 -1.26 -4.79 121.76 123.18 2pvy s ALA 628 Ca 0.51 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.47 2pvy s ALA 628 Cb -0.20 0.45 0.72 0.00 0.00 0.00 0.00 23.12 24.09 2pvy s ALA 628 CO 0.14 -0.68 1.91 0.00 0.00 0.00 0.00 175.76 177.13 2pvy h ALA 629 N 2.06 1.70 0.00 0.00 0.00 -1.94 0.23 119.26 121.31 2pvy h ALA 629 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2pvy h ALA 629 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pvy h ALA 629 CO 0.33 0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.77 2pvy h ARG 630 N 0.80 0.00 -0.44 0.00 0.11 -1.94 -2.44 114.38 110.47 2pvy h ARG 630 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2pvy h ARG 630 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2pvy h ARG 630 CO -0.16 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.00 2pvy n ASN 631 N -2.94 4.59 -4.37 0.08 5.03 0.79 -4.76 115.26 113.68 2pvy n ASN 631 Ca -0.01 -2.80 -0.33 0.00 0.87 0.00 0.00 54.58 52.31 2pvy n ASN 631 Cb 0.16 -0.57 -0.14 0.00 -1.02 0.00 0.00 39.78 38.20 2pvy n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pvy s VAL 632 N -2.48 2.88 0.02 2.41 1.01 -0.94 -0.03 120.40 123.26 2pvy s VAL 632 Ca 0.46 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2pvy s VAL 632 Cb 0.35 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2pvy s VAL 632 CO 0.15 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 175.12 2pvy s LEU 633 N 0.04 3.90 -0.11 3.92 1.43 0.57 -0.02 118.68 128.41 2pvy s LEU 633 Ca -0.06 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2pvy s LEU 633 Cb -0.15 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2pvy s LEU 633 CO 0.05 0.24 -0.09 -0.69 0.23 0.00 0.00 176.35 176.09 2pvy s VAL 634 N -1.26 3.47 0.24 -1.59 1.01 0.19 -0.45 120.40 122.00 2pvy s VAL 634 Ca 0.25 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2pvy s VAL 634 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2pvy s VAL 634 CO 0.17 0.54 0.39 0.28 0.00 0.00 0.00 175.10 176.48 2pvy s THR 635 N -0.09 0.00 0.00 3.92 -1.32 -0.74 0.23 115.64 117.64 2pvy s THR 635 Ca -0.00 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 2pvy s THR 635 Cb -0.13 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 2pvy s THR 635 CO 0.03 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.82 2pvy n GLU 636 N -0.37 0.00 -2.48 7.08 1.02 -1.26 -0.56 120.64 124.06 2pvy n GLU 636 Ca -0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2pvy n GLU 636 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 2pvy n GLU 636 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2pvy n ASN 637 N -0.45 4.90 -3.68 1.62 0.23 -1.26 -4.48 115.26 112.14 2pvy n ASN 637 Ca 0.00 -2.98 -0.25 0.00 -0.53 0.00 0.00 54.58 50.82 2pvy n ASN 637 Cb 0.00 -1.59 0.06 0.00 -2.08 0.00 0.00 39.78 36.17 2pvy n ASN 637 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2pvy n ASN 638 N 5.71 -5.14 -4.69 0.53 4.05 -1.17 -4.96 115.26 109.59 2pvy n ASN 638 Ca 0.43 -0.64 -0.39 0.00 0.45 0.00 0.00 54.58 54.43 2pvy n ASN 638 Cb 0.41 -4.65 -0.06 0.00 1.23 0.00 0.00 39.78 36.71 2pvy n ASN 638 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pvy s VAL 639 N -3.34 5.10 -0.10 3.44 1.01 0.27 -4.87 120.40 121.90 2pvy s VAL 639 Ca 0.51 1.09 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 2pvy s VAL 639 Cb -0.24 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2pvy s VAL 639 CO 0.76 0.21 0.60 -0.04 0.00 0.00 0.00 175.10 176.64 2pvy s MET 640 N 1.33 4.37 -0.20 2.72 -1.94 -1.26 -1.79 119.30 122.53 2pvy s MET 640 Ca 0.28 0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 54.92 2pvy s MET 640 Cb -0.16 -3.46 0.06 0.00 2.01 0.00 0.00 34.83 33.28 2pvy s MET 640 CO 0.11 0.06 -0.01 0.15 -0.01 0.00 0.00 175.02 175.32 2pvy s LYS 641 N 0.86 1.15 0.25 2.03 1.02 0.40 -4.22 119.74 121.23 2pvy s LYS 641 Ca 0.32 -0.63 -0.31 0.00 0.02 0.00 0.00 55.97 55.37 2pvy s LYS 641 Cb -0.16 -2.23 -0.12 0.00 -0.52 0.00 0.00 37.83 34.80 2pvy s LYS 641 CO 0.14 -0.58 1.66 -0.89 -0.92 0.00 0.00 175.35 174.76 2pvy n ILE 642 N 4.88 0.51 -4.22 2.17 5.41 -0.15 -0.32 119.36 127.65 2pvy n ILE 642 Ca -0.11 -0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.40 2pvy n ILE 642 Cb 0.46 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.40 2pvy n ILE 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pvy n ALA 643 N 3.04 0.27 -3.14 -1.39 0.00 0.95 -1.09 120.51 119.14 2pvy n ALA 643 Ca 0.12 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.44 2pvy n ALA 643 Cb 0.36 0.64 0.02 0.00 0.00 0.00 0.00 19.45 20.47 2pvy n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pvy n ASP 644 N -1.87 -6.81 -1.83 0.00 2.03 -1.26 -4.80 116.55 102.02 2pvy n ASP 644 Ca -0.02 0.35 -0.13 0.00 0.52 0.00 0.00 54.79 55.52 2pvy n ASP 644 Cb 0.28 -3.38 0.17 0.00 -0.72 0.00 0.00 41.12 37.47 2pvy n ASP 644 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2pvy n PHE 645 N 0.09 2.12 0.29 -0.67 3.01 -1.26 -4.55 117.46 116.49 2pvy n PHE 645 Ca 0.01 -1.29 0.15 0.00 1.01 0.00 0.00 57.45 57.33 2pvy n PHE 645 Cb 0.50 -0.69 0.91 0.00 -0.01 0.00 0.00 39.48 40.19 2pvy n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pvy h GLY 646 N 2.33 0.00 -0.52 1.37 0.00 -1.90 -2.58 103.07 101.77 2pvy h GLY 646 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2pvy h GLY 646 CO 0.72 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.30 2pvy n LEU 647 N -3.78 1.68 -4.75 3.11 4.77 -1.26 -4.67 117.00 112.11 2pvy n LEU 647 Ca -0.03 -1.19 -0.36 0.00 -0.03 0.00 0.00 56.01 54.40 2pvy n LEU 647 Cb 0.10 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2pvy n LEU 647 CO 0.27 0.37 0.86 0.00 -1.33 0.00 0.00 177.39 177.57 2pvy s ALA 648 N -0.59 2.49 0.01 -1.18 0.00 -0.97 -4.73 121.76 116.79 2pvy s ALA 648 Ca 0.08 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.13 2pvy s ALA 648 Cb 0.05 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2pvy s ALA 648 CO 0.08 -1.30 -0.05 1.03 0.00 0.00 0.00 175.76 175.52 2pvy s ARG 649 N -3.34 0.37 -0.26 0.00 1.81 0.47 -4.97 118.95 113.03 2pvy s ARG 649 Ca 0.79 -0.39 -0.20 0.00 -1.72 0.00 0.00 55.73 54.21 2pvy s ARG 649 Cb -0.33 -0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 33.92 2pvy s ARG 649 CO 0.35 0.05 0.62 0.34 -0.68 0.00 0.00 175.30 175.98 2pvy s ASP 650 N -0.75 6.55 -0.36 0.23 -1.08 -1.26 -0.99 116.67 119.01 2pvy s ASP 650 Ca -0.05 0.65 0.06 0.00 -0.52 0.00 0.00 52.55 52.69 2pvy s ASP 650 Cb -0.05 -2.33 0.46 0.00 -1.46 0.00 0.00 42.92 39.54 2pvy s ASP 650 CO -0.00 -0.37 1.37 2.30 0.52 0.00 0.00 175.17 178.99 2pvy n ILE 651 N 5.22 2.72 -0.90 4.11 -5.35 -0.66 -5.01 119.36 119.48 2pvy n ILE 651 Ca -0.01 -3.81 -0.30 0.00 -0.27 0.00 0.00 62.75 58.36 2pvy n ILE 651 Cb 0.49 -1.03 0.25 0.00 -1.74 0.00 0.00 39.64 37.61 2pvy n ILE 651 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2pvy s ASN 652 N -3.17 0.59 0.00 7.28 0.01 -1.26 -4.79 114.94 113.61 2pvy s ASN 652 Ca 0.52 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 53.44 2pvy s ASN 652 Cb 0.43 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2pvy s ASN 652 CO 0.02 -4.34 0.00 0.59 -1.51 0.00 0.00 177.10 171.86 2pvy n ASN 653 N -4.93 -0.08 -3.44 -1.22 5.03 -1.26 -5.18 115.26 104.19 2pvy n ASN 653 Ca 0.12 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.56 2pvy n ASN 653 Cb 0.59 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 2pvy n ASN 653 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pvy n TYR 656 N 0.36 -0.83 -3.93 3.10 0.18 -1.26 -5.30 117.16 109.47 2pvy n TYR 656 Ca 0.00 0.38 -0.30 0.00 1.88 0.00 0.00 57.90 59.86 2pvy n TYR 656 Cb 0.01 -0.82 -0.15 0.00 -0.38 0.00 0.00 39.34 37.99 2pvy n TYR 656 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2pvy s TYR 657 N -1.20 2.59 0.45 -3.48 5.04 -1.01 -4.94 117.35 114.80 2pvy s TYR 657 Ca 0.01 -2.01 -0.22 0.00 -2.44 0.00 0.00 57.07 52.41 2pvy s TYR 657 Cb -0.00 -1.86 -0.08 0.00 0.35 0.00 0.00 41.96 40.37 2pvy s TYR 657 CO 0.01 -0.83 1.07 0.21 -1.34 0.00 0.00 175.55 174.67 2pvy s LYS 658 N 1.32 3.92 -0.01 4.97 2.47 -1.26 -3.37 119.74 127.79 2pvy s LYS 658 Ca -0.01 1.51 -0.00 0.00 -1.56 0.00 0.00 55.97 55.91 2pvy s LYS 658 Cb -0.19 -2.34 -0.00 0.00 -1.46 0.00 0.00 37.83 33.85 2pvy s LYS 658 CO -0.09 -0.35 0.02 0.09 0.16 0.00 0.00 175.35 175.18 2pvy n ASN 662 N -0.52 0.00 -4.80 1.43 5.03 -1.26 -4.85 115.26 110.30 2pvy n ASN 662 Ca 0.07 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.20 2pvy n ASN 662 Cb 0.50 -0.01 0.02 0.00 -1.02 0.00 0.00 39.78 39.28 2pvy n ASN 662 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2pvy s GLY 663 N 0.06 2.06 -0.26 7.41 0.00 -1.26 -4.97 107.32 110.37 2pvy s GLY 663 Ca 0.01 0.37 0.12 0.00 0.00 0.00 0.00 44.72 45.22 2pvy s GLY 663 CO 0.00 0.69 1.54 0.54 0.00 0.00 0.00 173.10 175.88 2pvy n ARG 664 N -2.25 2.70 -3.93 2.90 1.74 -1.26 -4.97 116.66 111.60 2pvy n ARG 664 Ca 0.09 -3.02 -0.35 0.00 -0.77 0.00 0.00 57.85 53.80 2pvy n ARG 664 Cb 0.53 -1.93 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 2pvy n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pvy s LEU 665 N -3.03 4.08 -0.07 0.55 1.43 -1.26 -5.03 118.68 115.35 2pvy s LEU 665 Ca 0.46 0.25 -0.34 0.00 -1.03 0.00 0.00 54.13 53.47 2pvy s LEU 665 Cb 0.39 -2.02 -0.12 0.00 0.03 0.00 0.00 46.19 44.48 2pvy s LEU 665 CO 0.07 0.27 1.86 -2.65 0.23 0.00 0.00 176.35 176.13 2pvy n PRO 666 N 2.92 2.21 -0.20 1.29 -0.02 -1.26 -4.86 135.00 135.07 2pvy n PRO 666 Ca -0.18 0.81 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2pvy n PRO 666 Cb 0.53 -2.65 0.11 0.00 -0.02 0.00 0.00 33.50 31.47 2pvy n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pvy h VAL 667 N 5.33 0.64 0.00 -1.45 2.07 -1.96 -2.34 116.25 118.53 2pvy h VAL 667 Ca -0.48 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2pvy h VAL 667 Cb 1.27 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pvy h VAL 667 CO 0.94 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.87 2pvy n LYS 668 N -5.13 0.06 0.00 1.57 5.02 -1.26 -1.21 118.16 117.22 2pvy n LYS 668 Ca 0.09 0.27 0.03 0.00 -2.02 0.00 0.00 58.31 56.68 2pvy n LYS 668 Cb 0.32 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2pvy n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2pvy n TRP 669 N -1.34 0.00 -2.93 2.13 8.01 -0.89 -4.97 117.44 117.44 2pvy n TRP 669 Ca 0.02 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.82 2pvy n TRP 669 Cb 0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.30 2pvy n TRP 669 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2pvy s MET 670 N -0.58 4.56 0.43 -0.99 -1.94 -0.35 -4.13 119.30 116.30 2pvy s MET 670 Ca 0.06 1.17 -0.23 0.00 -1.71 0.00 0.00 55.69 54.98 2pvy s MET 670 Cb 0.04 -3.34 -0.09 0.00 2.01 0.00 0.00 34.83 33.46 2pvy s MET 670 CO 0.08 0.35 1.06 0.00 -0.01 0.00 0.00 175.02 176.50 2pvy s ALA 671 N -0.36 3.02 0.21 3.03 0.00 -1.26 -4.96 121.76 121.44 2pvy s ALA 671 Ca 0.39 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 2pvy s ALA 671 Cb -0.22 -3.28 0.23 0.00 0.00 0.00 0.00 23.12 19.86 2pvy s ALA 671 CO 0.25 -0.28 1.62 -1.35 0.00 0.00 0.00 175.76 176.00 2pvy h PRO 672 N 2.20 -0.01 0.00 0.00 0.11 -1.94 -0.88 132.00 131.48 2pvy h PRO 672 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2pvy h PRO 672 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pvy h PRO 672 CO 0.61 -0.01 -0.05 0.93 -0.21 0.00 0.00 178.00 179.27 2pvy h GLU 673 N -0.01 0.00 -0.93 1.05 3.07 -1.88 -2.08 114.58 113.79 2pvy h GLU 673 Ca 0.30 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.24 2pvy h GLU 673 Cb 0.47 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 2pvy h GLU 673 CO -0.66 0.05 0.60 0.00 -1.40 0.00 0.00 179.01 177.60 2pvy h ALA 674 N 1.95 1.52 0.00 3.43 0.00 -1.16 -0.96 119.26 124.03 2pvy h ALA 674 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pvy h ALA 674 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pvy h ALA 674 CO 0.01 0.32 -0.30 -0.11 0.00 0.00 0.00 179.25 179.17 2pvy n LEU 675 N -4.51 0.59 0.31 0.00 7.94 -1.04 -2.98 117.00 117.31 2pvy n LEU 675 Ca 0.15 0.10 0.09 0.00 -1.11 0.00 0.00 56.01 55.24 2pvy n LEU 675 Cb 0.23 -0.56 0.46 0.00 0.53 0.00 0.00 43.42 44.08 2pvy n LEU 675 CO 0.32 -0.43 1.08 -0.26 -1.11 0.00 0.00 177.39 176.98 2pvy h PHE 676 N -0.30 0.00 0.00 1.96 0.05 -1.52 -1.55 116.94 115.58 2pvy h PHE 676 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2pvy h PHE 676 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.25 2pvy h PHE 676 CO -0.13 0.00 0.00 -0.25 -0.18 0.00 0.00 178.31 177.75 2pvy n ASP 677 N -2.76 0.31 -3.82 2.17 8.00 -0.57 -5.00 116.55 114.88 2pvy n ASP 677 Ca -0.00 -0.94 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 2pvy n ASP 677 Cb 0.69 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 2pvy n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pvy n ARG 678 N -0.02 -4.32 -4.46 -1.24 5.12 -0.47 -4.95 116.66 106.31 2pvy n ARG 678 Ca 0.00 0.52 -0.25 0.00 -1.93 0.00 0.00 57.85 56.19 2pvy n ARG 678 Cb 0.15 -5.32 -0.13 0.00 -1.16 0.00 0.00 32.46 26.00 2pvy n ARG 678 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pvy s VAL 679 N -3.19 1.72 -0.05 1.55 1.01 -0.98 -4.36 120.40 116.10 2pvy s VAL 679 Ca 0.61 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2pvy s VAL 679 Cb -0.32 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.57 2pvy s VAL 679 CO 0.75 0.08 0.09 -0.47 0.00 0.00 0.00 175.10 175.55 2pvy s TYR 680 N -0.99 -0.04 0.33 5.22 5.04 -1.22 -3.38 117.35 122.32 2pvy s TYR 680 Ca 0.07 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.11 2pvy s TYR 680 Cb -0.09 -0.34 -0.02 0.00 0.35 0.00 0.00 41.96 41.87 2pvy s TYR 680 CO 0.03 -0.20 0.15 0.25 -1.34 0.00 0.00 175.55 174.44 2pvy n THR 681 N 5.02 0.00 0.26 4.34 -2.24 -1.26 -2.39 114.28 118.01 2pvy n THR 681 Ca -0.10 -2.02 0.09 0.00 -2.27 0.00 0.00 64.05 59.76 2pvy n THR 681 Cb 0.50 0.79 0.68 0.00 -2.10 0.00 0.00 70.33 70.20 2pvy n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pvy h HIS 682 N 1.64 0.00 0.00 4.78 3.86 -1.99 0.18 115.15 123.62 2pvy h HIS 682 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2pvy h HIS 682 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2pvy h HIS 682 CO 0.00 0.03 0.00 1.96 0.86 0.00 0.00 177.93 180.78 2pvy h GLN 683 N 0.00 0.00 0.17 2.45 1.08 -1.93 -0.78 115.11 116.11 2pvy h GLN 683 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 2pvy h GLN 683 Cb 0.06 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2pvy h GLN 683 CO 0.00 0.00 -1.29 0.77 -0.95 0.00 0.00 178.83 177.37 2pvy h SER 684 N 0.00 0.83 0.01 1.46 0.02 -1.03 -2.99 113.55 111.85 2pvy h SER 684 Ca 0.00 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 60.04 2pvy h SER 684 Cb 0.48 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2pvy h SER 684 CO 0.00 1.63 -0.10 0.44 -1.14 0.00 0.00 176.83 177.66 2pvy h ASP 685 N 0.16 0.20 -0.47 3.07 3.45 -1.01 -2.40 116.42 119.43 2pvy h ASP 685 Ca -0.21 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.11 2pvy h ASP 685 Cb 1.98 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 40.68 2pvy h ASP 685 CO 0.24 0.34 -0.11 1.62 -1.57 0.00 0.00 179.24 179.77 2pvy h VAL 686 N 0.21 1.26 -0.01 -1.35 3.04 -1.12 0.01 116.25 118.29 2pvy h VAL 686 Ca 0.05 -1.23 0.02 0.00 -1.01 0.00 0.00 66.70 64.52 2pvy h VAL 686 Cb 0.32 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 2pvy h VAL 686 CO 0.02 0.43 -0.10 -0.25 -1.01 0.00 0.00 177.57 176.66 2pvy h TRP 687 N 0.84 -0.24 -0.91 3.17 2.91 -1.30 -1.54 115.95 118.88 2pvy h TRP 687 Ca 0.13 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.28 2pvy h TRP 687 Cb 0.64 0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 29.32 2pvy h TRP 687 CO 0.04 -0.15 0.55 0.77 -1.03 0.00 0.00 178.44 178.62 2pvy h SER 688 N -0.16 0.78 -0.84 2.65 0.02 -1.08 0.32 113.55 115.25 2pvy h SER 688 Ca 0.04 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2pvy h SER 688 Cb 0.21 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 2pvy h SER 688 CO -0.11 0.42 0.55 0.15 -1.14 0.00 0.00 176.83 176.70 2pvy h PHE 689 N 0.87 0.94 -0.31 3.45 3.57 -0.06 0.05 116.94 125.45 2pvy h PHE 689 Ca 0.45 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.99 2pvy h PHE 689 Cb 0.46 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2pvy h PHE 689 CO -0.04 0.49 0.19 0.78 -2.23 0.00 0.00 178.31 177.50 2pvy h GLY 690 N 0.92 0.44 1.11 2.40 0.00 -0.08 0.80 103.07 108.66 2pvy h GLY 690 Ca 0.36 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 2pvy h GLY 690 CO -0.13 0.13 0.35 -2.08 0.00 0.00 0.00 176.54 174.81 2pvy h VAL 691 N 0.39 1.25 -0.53 4.60 2.07 -0.93 -1.57 116.25 121.53 2pvy h VAL 691 Ca 0.12 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2pvy h VAL 691 Cb -0.01 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2pvy h VAL 691 CO -0.05 0.31 0.32 0.25 0.02 0.00 0.00 177.57 178.42 2pvy h LEU 692 N 1.12 0.53 -0.66 2.57 5.85 -0.33 -0.96 115.31 123.44 2pvy h LEU 692 Ca 0.27 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2pvy h LEU 692 Cb 0.16 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2pvy h LEU 692 CO -0.03 0.38 0.35 0.24 -0.34 0.00 0.00 178.44 179.04 2pvy h MET 693 N 0.65 0.63 -0.81 1.25 2.86 -0.04 0.08 114.93 119.56 2pvy h MET 693 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2pvy h MET 693 Cb 0.00 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2pvy h MET 693 CO -0.08 0.42 0.51 2.35 1.06 0.00 0.00 176.91 181.16 2pvy h TRP 694 N 0.65 1.05 -0.45 -0.22 7.01 -0.57 -0.70 115.95 122.72 2pvy h TRP 694 Ca 0.30 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 2pvy h TRP 694 Cb 0.21 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 2pvy h TRP 694 CO -0.09 0.68 0.27 0.93 -2.79 0.00 0.00 178.44 177.45 2pvy h GLU 695 N 1.10 0.61 -0.02 2.65 5.08 -0.09 -1.85 114.58 122.07 2pvy h GLU 695 Ca 0.29 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2pvy h GLU 695 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2pvy h GLU 695 CO -0.06 0.45 -0.05 0.82 -1.00 0.00 0.00 179.01 179.17 2pvy h ILE 696 N 0.59 0.87 0.00 3.13 2.04 -0.38 0.39 117.51 124.15 2pvy h ILE 696 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2pvy h ILE 696 Cb -0.00 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2pvy h ILE 696 CO -0.03 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.61 2pvy n PHE 697 N -5.16 0.00 -0.45 1.37 3.72 -0.33 -1.94 117.46 114.67 2pvy n PHE 697 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 2pvy n PHE 697 Cb 0.09 -0.23 0.23 0.00 -0.94 0.00 0.00 39.48 38.64 2pvy n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pvy n THR 698 N -1.23 1.43 -3.68 4.37 -2.24 -0.71 -4.68 114.28 107.55 2pvy n THR 698 Ca 0.15 -1.23 -0.26 0.00 -2.27 0.00 0.00 64.05 60.45 2pvy n THR 698 Cb 0.20 0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2pvy n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pvy n LEU 699 N 0.51 -3.14 0.00 3.22 4.77 -0.82 -2.86 117.00 118.69 2pvy n LEU 699 Ca 0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2pvy n LEU 699 Cb 0.63 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 2pvy n LEU 699 CO 0.13 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2pvy n GLY 700 N -1.65 0.53 3.78 -0.72 0.00 0.13 -3.41 105.19 103.85 2pvy n GLY 700 Ca -0.19 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2pvy n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pvy s GLY 701 N -2.87 1.66 -0.16 -0.02 0.00 -1.13 -4.86 107.32 99.93 2pvy s GLY 701 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 2pvy s GLY 701 CO 0.00 0.48 0.62 -0.56 0.00 0.00 0.00 173.10 173.63 2pvy s SER 702 N -3.56 6.74 0.65 1.64 0.01 -1.26 -4.72 113.70 113.19 2pvy s SER 702 Ca 0.61 0.89 -0.18 0.00 1.31 0.00 0.00 55.95 58.58 2pvy s SER 702 Cb -0.16 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2pvy s SER 702 CO 0.56 -0.20 1.29 -2.16 0.41 0.00 0.00 173.24 173.14 2pvy s PRO 703 N 1.50 2.53 -1.20 12.44 0.04 -1.26 -3.37 135.00 145.68 2pvy s PRO 703 Ca 0.30 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 2pvy s PRO 703 Cb -0.16 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2pvy s PRO 703 CO 0.12 -1.61 0.69 0.66 0.04 0.00 0.00 177.00 176.90 2pvy n TYR 704 N -1.93 -1.67 -1.78 0.56 4.01 -1.26 -4.82 117.16 110.26 2pvy n TYR 704 Ca 0.16 0.34 -0.42 0.00 -0.16 0.00 0.00 57.90 57.82 2pvy n TYR 704 Cb 0.48 -3.20 -0.03 0.00 -0.31 0.00 0.00 39.34 36.28 2pvy n TYR 704 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2pvy s PRO 705 N -6.62 4.15 0.00 -0.72 0.04 -1.22 -2.11 135.00 128.52 2pvy s PRO 705 Ca 0.43 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2pvy s PRO 705 Cb -0.19 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2pvy s PRO 705 CO 0.91 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2pvy n GLY 706 N 3.81 1.74 3.43 0.56 0.00 -1.26 -5.02 105.19 108.44 2pvy n GLY 706 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2pvy n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvy s ILE 707 N -2.61 4.52 0.60 -0.61 1.01 -0.90 -5.08 121.20 118.13 2pvy s ILE 707 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 2pvy s ILE 707 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2pvy s ILE 707 CO 0.00 0.06 1.20 -2.16 0.00 0.00 0.00 174.94 174.03 2pvy s PRO 708 N 1.60 2.95 0.38 2.79 0.04 -1.26 -4.87 135.00 136.63 2pvy s PRO 708 Ca 0.04 1.79 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2pvy s PRO 708 Cb -0.17 -1.93 0.81 0.00 0.04 0.00 0.00 34.50 33.25 2pvy s PRO 708 CO 0.06 -1.21 1.97 -0.39 0.04 0.00 0.00 177.00 177.47 2pvy h VAL 709 N 0.81 1.00 0.00 -0.36 -1.51 -1.98 -1.17 116.25 113.05 2pvy h VAL 709 Ca -0.50 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 2pvy h VAL 709 Cb 1.29 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2pvy h VAL 709 CO 0.55 0.12 -0.03 1.05 -1.23 0.00 0.00 177.57 178.03 2pvy h GLU 710 N 0.67 0.00 0.00 5.19 9.09 -2.04 -2.45 114.58 125.03 2pvy h GLU 710 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 2pvy h GLU 710 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2pvy h GLU 710 CO -0.09 0.03 -1.45 0.39 0.05 0.00 0.00 179.01 177.94 2pvy n GLU 711 N -3.23 0.53 -0.36 1.06 1.02 -0.47 -4.38 120.64 114.81 2pvy n GLU 711 Ca -0.02 -0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.12 2pvy n GLU 711 Cb 0.18 -1.63 0.22 0.00 -0.02 0.00 0.00 31.44 30.19 2pvy n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pvy h LEU 712 N 0.00 0.97 -0.31 -4.62 5.85 -1.13 -3.00 115.31 113.08 2pvy h LEU 712 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2pvy h LEU 712 Cb 0.92 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2pvy h LEU 712 CO 0.00 0.57 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.16 2pvy h PHE 713 N 1.07 -0.79 -0.08 1.25 -1.00 -1.76 -1.27 116.94 114.36 2pvy h PHE 713 Ca 0.46 0.05 0.04 0.00 2.81 0.00 0.00 57.97 61.33 2pvy h PHE 713 Cb 0.33 0.39 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 2pvy h PHE 713 CO -0.00 -0.19 -0.28 1.57 -1.61 0.00 0.00 178.31 177.80 2pvy h LYS 714 N -0.09 -0.36 -0.49 1.51 2.10 -1.82 -2.83 116.57 114.58 2pvy h LYS 714 Ca 0.05 0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.82 2pvy h LYS 714 Cb 0.22 0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.55 2pvy h LYS 714 CO -0.34 -0.24 -0.00 -0.07 -2.00 0.00 0.00 179.45 176.79 2pvy h LEU 715 N -0.38 -0.22 -1.14 7.07 3.38 -1.34 0.08 115.31 122.76 2pvy h LEU 715 Ca 0.09 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2pvy h LEU 715 Cb 0.51 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2pvy h LEU 715 CO -0.30 -0.07 0.58 -0.07 0.09 0.00 0.00 178.44 178.67 2pvy h LEU 716 N 0.11 0.96 -0.61 1.67 3.38 -1.13 0.10 115.31 119.79 2pvy h LEU 716 Ca 0.25 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2pvy h LEU 716 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2pvy h LEU 716 CO -0.41 0.67 0.39 0.50 0.09 0.00 0.00 178.44 179.67 2pvy h LYS 717 N 1.12 0.75 0.00 1.13 3.64 -0.77 -0.39 116.57 122.04 2pvy h LYS 717 Ca 0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2pvy h LYS 717 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2pvy h LYS 717 CO -0.10 0.49 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 2pvy n GLU 718 N -4.71 0.70 -0.28 1.90 4.71 -0.67 -4.82 120.64 117.47 2pvy n GLU 718 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2pvy n GLU 718 Cb 0.06 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2pvy n GLU 718 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pvy n GLY 719 N 0.39 0.86 3.76 0.62 0.00 -0.16 -5.05 105.19 105.62 2pvy n GLY 719 Ca 0.15 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2pvy n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pvy n HIS 720 N -2.28 2.77 -3.79 1.61 -0.00 0.28 -4.98 115.22 108.83 2pvy n HIS 720 Ca 0.00 0.44 -0.12 0.00 -0.00 0.00 0.00 57.72 58.04 2pvy n HIS 720 Cb 0.00 -2.48 -0.08 0.00 -0.00 0.00 0.00 29.99 27.43 2pvy n HIS 720 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2pvy s ARG 721 N -2.34 0.68 0.48 1.57 1.81 -1.26 -4.50 118.95 115.40 2pvy s ARG 721 Ca 0.59 -0.39 -0.23 0.00 -1.72 0.00 0.00 55.73 53.98 2pvy s ARG 721 Cb -0.46 0.29 -0.07 0.00 -0.45 0.00 0.00 34.95 34.27 2pvy s ARG 721 CO 0.59 -0.19 1.25 -1.64 -0.68 0.00 0.00 175.30 174.63 2pvy s MET 722 N -1.87 3.56 0.98 3.54 -1.94 -1.26 -5.01 119.30 117.30 2pvy s MET 722 Ca -0.10 1.99 -0.12 0.00 -1.71 0.00 0.00 55.69 55.75 2pvy s MET 722 Cb -0.04 -2.40 0.18 0.00 2.01 0.00 0.00 34.83 34.58 2pvy s MET 722 CO 0.00 -0.77 1.08 -0.51 -0.01 0.00 0.00 175.02 174.81 2pvy s ASP 723 N -1.13 2.66 0.13 3.03 -0.00 -1.26 -4.97 116.67 115.13 2pvy s ASP 723 Ca 0.65 1.48 -0.30 0.00 -0.00 0.00 0.00 52.55 54.38 2pvy s ASP 723 Cb -0.34 -2.15 -0.07 0.00 -0.00 0.00 0.00 42.92 40.36 2pvy s ASP 723 CO 0.41 -3.15 1.17 -0.75 -0.00 0.00 0.00 175.17 172.85 2pvy s LYS 724 N -4.81 4.50 0.43 8.23 2.20 -1.26 -4.99 119.74 124.04 2pvy s LYS 724 Ca 0.65 1.79 -0.25 0.00 -0.36 0.00 0.00 55.97 57.80 2pvy s LYS 724 Cb -0.20 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 2pvy s LYS 724 CO 0.59 -0.11 1.35 -2.14 -0.36 0.00 0.00 175.35 174.68 2pvy s PRO 725 N 0.24 3.79 0.46 4.03 0.02 -1.26 -4.92 135.00 137.36 2pvy s PRO 725 Ca 0.54 2.24 -0.25 0.00 0.02 0.00 0.00 61.00 63.55 2pvy s PRO 725 Cb -0.30 -2.67 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 2pvy s PRO 725 CO 0.33 -0.67 1.44 0.00 -0.33 0.00 0.00 177.00 177.77 2pvy n ALA 726 N -0.10 2.05 -2.24 -1.55 0.00 -1.26 -2.29 120.51 115.11 2pvy n ALA 726 Ca 0.05 0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 2pvy n ALA 726 Cb 0.43 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 2pvy n ALA 726 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pvy n ASN 727 N -0.24 -4.65 -4.38 0.00 3.02 -1.26 -4.92 115.26 102.84 2pvy n ASN 727 Ca 0.05 0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 2pvy n ASN 727 Cb 0.42 -3.76 -0.14 0.00 -0.61 0.00 0.00 39.78 35.68 2pvy n ASN 727 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pvy s THR 729 N 0.16 2.35 0.40 0.00 -4.23 -1.26 -4.86 115.64 108.19 2pvy s THR 729 Ca -0.08 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 2pvy s THR 729 Cb -0.15 -3.12 0.25 0.00 1.34 0.00 0.00 72.50 70.81 2pvy s THR 729 CO 0.05 -0.01 2.03 -1.13 -0.54 0.00 0.00 174.62 175.02 2pvy h ASN 730 N 1.44 0.47 -0.97 3.99 -0.73 -1.98 -1.85 115.58 115.95 2pvy h ASN 730 Ca -0.51 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 57.65 2pvy h ASN 730 Cb 1.29 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 2pvy h ASN 730 CO 0.57 0.38 0.64 -0.08 -0.37 0.00 0.00 177.43 178.57 2pvy h GLU 731 N 0.54 1.27 0.02 6.67 4.81 -2.00 -0.24 114.58 125.67 2pvy h GLU 731 Ca 0.14 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 2pvy h GLU 731 Cb 0.00 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 2pvy h GLU 731 CO -0.03 0.84 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.07 2pvy h LEU 732 N 1.31 0.27 -0.85 1.64 3.38 -1.74 -2.89 115.31 116.44 2pvy h LEU 732 Ca 0.36 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2pvy h LEU 732 Cb -0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2pvy h LEU 732 CO -0.08 1.08 -0.40 0.22 0.09 0.00 0.00 178.44 179.35 2pvy h TYR 733 N 0.10 0.42 -0.11 1.13 3.20 -0.98 -1.61 116.97 119.11 2pvy h TYR 733 Ca -0.06 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 2pvy h TYR 733 Cb 1.62 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 2pvy h TYR 733 CO 0.03 0.71 -0.42 0.52 -1.64 0.00 0.00 178.16 177.36 2pvy h MET 734 N 0.30 0.26 -0.62 1.82 2.86 -1.04 -0.79 114.93 117.72 2pvy h MET 734 Ca 0.03 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2pvy h MET 734 Cb 0.84 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2pvy h MET 734 CO 0.07 0.64 0.28 1.98 1.06 0.00 0.00 176.91 180.94 2pvy h MET 735 N 0.22 0.90 -0.18 1.72 1.85 -1.17 0.47 114.93 118.74 2pvy h MET 735 Ca 0.02 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 2pvy h MET 735 Cb 0.84 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 2pvy h MET 735 CO 0.07 0.74 0.12 0.52 -0.40 0.00 0.00 176.91 177.95 2pvy h MET 736 N 0.85 0.23 -0.62 0.39 2.07 -0.62 -1.91 114.93 115.33 2pvy h MET 736 Ca 0.21 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.79 2pvy h MET 736 Cb 0.15 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.80 2pvy h MET 736 CO -0.02 0.15 0.23 0.00 1.07 0.00 0.00 176.91 178.34 2pvy h ARG 737 N 0.24 0.91 -0.93 1.72 2.47 -0.82 -1.49 114.38 116.47 2pvy h ARG 737 Ca 0.06 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2pvy h ARG 737 Cb -0.03 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.10 2pvy h ARG 737 CO -0.01 0.75 0.55 -0.44 0.56 0.00 0.00 179.97 181.38 2pvy h ASP 738 N 0.89 1.12 0.04 7.04 3.32 -0.60 -0.96 116.42 127.28 2pvy h ASP 738 Ca 0.21 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2pvy h ASP 738 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2pvy h ASP 738 CO -0.02 0.87 -0.13 0.00 -1.72 0.00 0.00 179.24 178.24 2pvy n TRP 740 N -4.29 2.20 -2.41 0.00 8.01 -0.37 -3.93 117.44 116.65 2pvy n TRP 740 Ca -0.01 -1.83 -0.41 0.00 -1.31 0.00 0.00 57.50 53.94 2pvy n TRP 740 Cb 0.26 -0.91 -0.04 0.00 -2.01 0.00 0.00 31.31 28.61 2pvy n TRP 740 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2pvy s HIS 741 N -2.46 3.47 0.20 -5.99 2.46 -1.02 -4.91 115.29 107.04 2pvy s HIS 741 Ca 0.42 1.48 -0.10 0.00 0.47 0.00 0.00 55.06 57.33 2pvy s HIS 741 Cb 0.34 -3.39 0.24 0.00 -0.13 0.00 0.00 32.58 29.64 2pvy s HIS 741 CO 0.04 -1.03 1.77 0.00 -2.47 0.00 0.00 174.74 173.05 2pvy h ALA 742 N 5.10 0.78 -2.43 1.58 0.00 -1.92 -3.39 119.26 118.98 2pvy h ALA 742 Ca -0.45 0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 2pvy h ALA 742 Cb 1.21 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 2pvy h ALA 742 CO 0.73 -0.12 0.31 0.08 0.00 0.00 0.00 179.25 180.25 2pvy s VAL 743 N -6.10 4.92 0.26 0.00 1.01 -1.26 -4.80 120.40 114.43 2pvy s VAL 743 Ca -0.13 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 2pvy s VAL 743 Cb 0.16 -4.06 0.24 0.00 0.00 0.00 0.00 36.38 32.72 2pvy s VAL 743 CO 0.75 0.03 1.80 -0.65 0.00 0.00 0.00 175.10 177.03 2pvy h PRO 744 N 7.50 0.77 0.00 2.72 0.11 -1.93 -1.03 132.00 140.14 2pvy h PRO 744 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pvy h PRO 744 Cb 1.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2pvy h PRO 744 CO 0.82 0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 2pvy n SER 745 N -4.75 0.11 -1.06 -2.05 3.41 -1.26 -1.98 113.62 106.05 2pvy n SER 745 Ca 0.16 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2pvy n SER 745 Cb 0.35 -0.55 0.16 0.00 -0.26 0.00 0.00 64.21 63.90 2pvy n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvy n GLN 746 N -1.63 2.41 -3.63 4.33 6.02 -0.39 -4.93 117.38 119.56 2pvy n GLN 746 Ca 0.03 -2.12 -0.30 0.00 -0.01 0.00 0.00 57.00 54.60 2pvy n GLN 746 Cb 0.16 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 2pvy n GLN 746 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2pvy s ARG 747 N -1.72 3.60 1.00 -1.09 0.52 -0.84 -4.88 118.95 115.54 2pvy s ARG 747 Ca 0.33 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 2pvy s ARG 747 Cb 0.21 -2.81 0.19 0.00 0.52 0.00 0.00 34.95 33.06 2pvy s ARG 747 CO 0.31 0.41 1.09 -1.25 0.02 0.00 0.00 175.30 175.87 2pvy s PRO 748 N -2.97 0.39 0.22 3.54 0.04 -1.26 -5.05 135.00 129.91 2pvy s PRO 748 Ca 0.41 0.61 0.05 0.00 0.04 0.00 0.00 61.00 62.10 2pvy s PRO 748 Cb -0.12 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2pvy s PRO 748 CO 0.27 -2.78 0.32 0.95 0.04 0.00 0.00 177.00 175.79 2pvy s THR 749 N -2.90 5.16 0.59 1.26 -4.23 -1.26 -4.94 115.64 109.32 2pvy s THR 749 Ca 0.65 -0.97 0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2pvy s THR 749 Cb -0.19 -3.76 0.36 0.00 1.34 0.00 0.00 72.50 70.24 2pvy s THR 749 CO 0.58 -0.27 2.24 -0.26 -0.54 0.00 0.00 174.62 176.38 2pvy h PHE 750 N 1.47 0.00 -0.31 3.99 0.04 -1.93 0.04 116.94 120.24 2pvy h PHE 750 Ca -0.51 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.20 2pvy h PHE 750 Cb 1.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 2pvy h PHE 750 CO 0.48 0.00 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.93 2pvy h LYS 751 N 0.00 0.57 -0.62 1.51 3.64 -1.93 -0.41 116.57 119.34 2pvy h LYS 751 Ca 0.01 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 2pvy h LYS 751 Cb 0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2pvy h LYS 751 CO -0.00 0.74 0.16 1.96 -2.27 0.00 0.00 179.45 180.03 2pvy h GLN 752 N 0.35 0.98 -0.58 1.90 4.20 -1.44 -2.05 115.11 118.46 2pvy h GLN 752 Ca 0.08 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2pvy h GLN 752 Cb 0.51 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2pvy h GLN 752 CO 0.02 0.89 0.25 -0.07 -0.67 0.00 0.00 178.83 179.25 2pvy h LEU 753 N 0.90 0.80 -0.42 1.46 3.38 -1.01 -1.05 115.31 119.37 2pvy h LEU 753 Ca 0.19 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2pvy h LEU 753 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2pvy h LEU 753 CO 0.00 0.74 0.25 0.58 0.09 0.00 0.00 178.44 180.10 2pvy h VAL 754 N 0.80 1.06 0.19 1.22 2.07 -0.84 0.75 116.25 121.50 2pvy h VAL 754 Ca 0.20 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2pvy h VAL 754 Cb 0.18 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2pvy h VAL 754 CO -0.02 0.09 -0.09 -0.33 0.02 0.00 0.00 177.57 177.24 2pvy h GLU 755 N 0.52 -0.24 0.15 1.57 5.08 -1.10 0.75 114.58 121.31 2pvy h GLU 755 Ca 0.16 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2pvy h GLU 755 Cb -0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2pvy h GLU 755 CO -0.06 -0.07 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.27 2pvy h ASP 756 N -0.38 -0.45 -0.75 1.42 5.19 -1.08 -2.37 116.42 118.01 2pvy h ASP 756 Ca -0.03 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.50 2pvy h ASP 756 Cb 0.29 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.92 2pvy h ASP 756 CO 0.04 -0.25 0.49 -0.07 -3.12 0.00 0.00 179.24 176.33 2pvy h LEU 757 N -0.36 0.68 -0.94 1.55 3.38 -0.81 0.04 115.31 118.85 2pvy h LEU 757 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pvy h LEU 757 Cb 0.35 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2pvy h LEU 757 CO -0.06 0.44 0.52 -0.78 0.09 0.00 0.00 178.44 178.65 2pvy h ASP 758 N 0.78 1.12 -0.04 -0.43 3.58 -0.40 0.22 116.42 121.25 2pvy h ASP 758 Ca 0.32 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 2pvy h ASP 758 Cb 0.27 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2pvy h ASP 758 CO -0.11 0.89 -0.09 -0.09 -2.88 0.00 0.00 179.24 176.95 2pvy h ARG 759 N 1.27 0.14 -0.84 0.28 2.43 -0.71 -2.44 114.38 114.50 2pvy h ARG 759 Ca 0.32 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2pvy h ARG 759 Cb -0.00 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 2pvy h ARG 759 CO -0.06 0.68 0.55 0.82 -1.51 0.00 0.00 179.97 180.46 2pvy h ILE 760 N -0.39 1.00 -0.43 1.20 2.04 -0.87 -0.02 117.51 120.05 2pvy h ILE 760 Ca 0.00 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2pvy h ILE 760 Cb 0.68 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2pvy h ILE 760 CO 0.02 0.16 -0.12 0.25 0.00 0.00 0.00 178.15 178.46 2pvy h LEU 761 N 0.87 0.84 -0.20 1.44 5.85 -0.93 -1.76 115.31 121.43 2pvy h LEU 761 Ca 0.38 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2pvy h LEU 761 Cb 0.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2pvy h LEU 761 CO -0.15 1.02 0.06 0.74 -0.34 0.00 0.00 178.44 179.77 2pvy h THR 762 N 0.66 1.18 0.00 1.05 2.02 -0.80 -2.38 112.91 114.63 2pvy h THR 762 Ca 0.11 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2pvy h THR 762 Cb 0.65 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2pvy h THR 762 CO 0.04 0.18 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 2pvy h LEU 763 N 0.15 0.00 -1.17 2.58 3.38 -0.98 -3.51 115.31 115.75 2pvy h LEU 763 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pvy h LEU 763 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pvy h LEU 763 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94