#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvy s LEU 468 N 0.00 3.04 0.32 -4.62 2.96 -1.26 -5.11 118.68 114.01 2pvy s LEU 468 Ca 0.00 -1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 52.15 2pvy s LEU 468 Cb 0.00 -1.25 -0.12 0.00 0.50 0.00 0.00 46.19 45.32 2pvy s LEU 468 CO 0.00 -0.29 1.42 -0.81 -1.32 0.00 0.00 176.35 175.34 2pvy n PRO 469 N 4.59 2.36 -1.16 0.98 -0.04 -1.26 -4.87 135.00 135.60 2pvy n PRO 469 Ca -0.07 0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 63.88 2pvy n PRO 469 Cb 0.43 -2.50 0.12 0.00 -0.04 0.00 0.00 33.50 31.51 2pvy n PRO 469 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2pvy s GLU 470 N -1.42 1.70 -0.41 0.54 1.03 -1.26 -5.02 118.70 113.86 2pvy s GLU 470 Ca 0.59 1.78 0.04 0.00 0.03 0.00 0.00 54.97 57.41 2pvy s GLU 470 Cb -0.55 -1.78 0.17 0.00 -0.80 0.00 0.00 34.13 31.17 2pvy s GLU 470 CO 0.58 -2.18 0.34 0.34 -1.33 0.00 0.00 175.26 173.01 2pvy s ASP 471 N -2.10 1.47 0.47 0.83 3.68 -1.26 -5.02 116.67 114.75 2pvy s ASP 471 Ca 0.74 -2.98 0.39 0.00 2.13 0.00 0.00 52.55 52.82 2pvy s ASP 471 Cb -0.29 -0.40 1.54 0.00 -1.45 0.00 0.00 42.92 42.32 2pvy s ASP 471 CO 0.50 -0.18 1.51 -2.65 0.13 0.00 0.00 175.17 174.47 2pvy n PRO 472 N 2.94 -0.02 -0.19 4.34 -0.02 -1.26 -0.72 135.00 140.06 2pvy n PRO 472 Ca 0.28 1.14 0.00 0.00 -2.02 0.00 0.00 63.50 62.91 2pvy n PRO 472 Cb 0.47 -2.40 0.25 0.00 -0.02 0.00 0.00 33.50 31.80 2pvy n PRO 472 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pvy h LYS 473 N 0.00 0.95 0.00 -0.52 3.64 -2.03 -3.26 116.57 115.35 2pvy h LYS 473 Ca 0.87 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 60.18 2pvy h LYS 473 Cb 3.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 34.73 2pvy h LYS 473 CO -0.27 0.65 -1.14 0.91 -2.27 0.00 0.00 179.45 177.33 2pvy n TRP 474 N -4.40 0.00 -1.66 1.91 7.02 0.10 -5.02 117.44 115.39 2pvy n TRP 474 Ca 0.07 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.10 2pvy n TRP 474 Cb 0.06 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 28.76 2pvy n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2pvy n GLU 475 N -1.66 1.98 -4.84 -0.99 4.07 -0.90 -1.93 120.64 116.37 2pvy n GLU 475 Ca -0.00 0.71 -0.27 0.00 -0.06 0.00 0.00 57.16 57.53 2pvy n GLU 475 Cb 0.26 -2.36 -0.17 0.00 -0.06 0.00 0.00 31.44 29.12 2pvy n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2pvy s PHE 476 N -0.02 1.84 0.06 4.31 5.36 0.64 -4.81 117.98 125.37 2pvy s PHE 476 Ca 0.69 -0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 55.70 2pvy s PHE 476 Cb -0.67 -1.27 -0.08 0.00 -0.34 0.00 0.00 43.02 40.66 2pvy s PHE 476 CO 0.49 -0.28 1.67 -1.25 -1.46 0.00 0.00 175.22 174.39 2pvy s PRO 477 N 0.37 4.19 0.39 10.12 0.04 -1.26 -4.41 135.00 144.45 2pvy s PRO 477 Ca -0.12 2.34 0.10 0.00 0.04 0.00 0.00 61.00 63.35 2pvy s PRO 477 Cb -0.15 -3.65 0.87 0.00 0.04 0.00 0.00 34.50 31.61 2pvy s PRO 477 CO 0.05 -0.76 1.95 0.00 0.04 0.00 0.00 177.00 178.28 2pvy h ARG 478 N 8.52 0.59 0.00 4.56 3.08 -1.96 -1.21 114.38 127.96 2pvy h ARG 478 Ca -0.43 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2pvy h ARG 478 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2pvy h ARG 478 CO 0.93 0.39 0.00 -0.40 -1.07 0.00 0.00 179.97 179.82 2pvy n ASP 479 N -4.49 0.66 -1.19 7.04 5.75 -1.26 -1.23 116.55 121.83 2pvy n ASP 479 Ca 0.11 0.69 0.11 0.00 -0.01 0.00 0.00 54.79 55.70 2pvy n ASP 479 Cb 0.32 -0.82 0.28 0.00 -1.03 0.00 0.00 41.12 39.87 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 -2.26 2.51 -4.40 0.11 4.76 -0.46 -4.87 118.16 113.55 2pvy n LYS 480 Ca 0.01 -2.33 -0.31 0.00 -2.87 0.00 0.00 58.31 52.80 2pvy n LYS 480 Cb 0.18 -1.52 -0.16 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.19 1.98 -0.26 -0.35 2.96 -0.37 -0.88 118.68 120.57 2pvy s LEU 481 Ca 0.43 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2pvy s LEU 481 Cb 0.23 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.61 2pvy s LEU 481 CO 0.31 0.03 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.42 2pvy s THR 482 N 1.06 2.80 0.38 3.68 2.01 -0.28 -4.97 115.64 120.32 2pvy s THR 482 Ca -0.02 -1.17 -0.24 0.00 0.31 0.00 0.00 61.69 60.57 2pvy s THR 482 Cb -0.14 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 2pvy s THR 482 CO -0.06 0.12 0.99 -0.76 -0.69 0.00 0.00 174.62 174.22 2pvy s LEU 483 N 1.28 4.17 0.00 4.42 1.43 -1.26 -0.83 118.68 127.89 2pvy s LEU 483 Ca -0.02 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2pvy s LEU 483 Cb -0.18 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2pvy s LEU 483 CO -0.04 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2pvy n GLY 484 N 0.21 6.70 3.80 -3.19 0.00 0.31 -4.93 105.19 108.09 2pvy n GLY 484 Ca 0.04 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 1.41 4.36 0.66 1.61 1.02 -1.26 -4.49 119.74 123.07 2pvy s LYS 485 Ca 0.00 1.20 -0.17 0.00 0.02 0.00 0.00 55.97 57.03 2pvy s LYS 485 Cb 0.00 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2pvy s LYS 485 CO 0.00 0.09 1.22 -1.25 -0.92 0.00 0.00 175.35 174.48 2pvy s PRO 486 N -2.74 2.54 -0.18 -1.68 0.04 -1.26 -1.10 135.00 130.62 2pvy s PRO 486 Ca 0.57 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 2pvy s PRO 486 Cb -0.13 -1.87 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 2pvy s PRO 486 CO 0.17 -1.54 0.12 1.28 0.04 0.00 0.00 177.00 177.07 2pvy n LEU 487 N -2.17 2.76 -4.65 -3.56 4.77 -1.26 -4.77 117.00 108.12 2pvy n LEU 487 Ca 0.14 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2pvy n LEU 487 Cb 0.50 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2pvy n LEU 487 CO 0.46 0.88 0.47 -1.58 -1.33 0.00 0.00 177.39 176.29 2pvy s GLN 494 N -2.54 4.19 -0.15 3.23 0.74 -1.17 -5.11 119.66 118.84 2pvy s GLN 494 Ca -0.28 0.71 0.01 0.00 0.05 0.00 0.00 55.36 55.86 2pvy s GLN 494 Cb 0.08 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.58 2pvy s GLN 494 CO 0.70 -0.36 -0.18 0.08 -0.55 0.00 0.00 175.29 174.98 2pvy s VAL 495 N 2.31 2.42 0.10 1.34 1.01 -1.26 -1.09 120.40 125.24 2pvy s VAL 495 Ca 0.30 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2pvy s VAL 495 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2pvy s VAL 495 CO 0.09 0.53 -0.26 0.68 0.00 0.00 0.00 175.10 176.14 2pvy s VAL 496 N 0.88 2.27 0.56 2.92 -7.23 0.11 -4.46 120.40 115.44 2pvy s VAL 496 Ca -0.05 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 2pvy s VAL 496 Cb -0.15 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2pvy s VAL 496 CO -0.02 0.19 1.10 -0.32 -0.31 0.00 0.00 175.10 175.73 2pvy s MET 497 N -1.79 3.35 0.23 4.82 -2.45 -0.26 -0.57 119.30 122.64 2pvy s MET 497 Ca 0.13 1.47 -0.20 0.00 -1.25 0.00 0.00 55.69 55.84 2pvy s MET 497 Cb -0.10 -2.02 0.03 0.00 1.25 0.00 0.00 34.83 33.99 2pvy s MET 497 CO 0.05 -0.82 0.63 0.00 1.05 0.00 0.00 175.02 175.92 2pvy s ALA 498 N -2.01 -1.17 -0.18 4.11 0.00 -0.05 0.11 121.76 122.58 2pvy s ALA 498 Ca 0.69 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 2pvy s ALA 498 Cb -0.21 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.80 2pvy s ALA 498 CO 0.29 -0.91 -0.16 -1.21 0.00 0.00 0.00 175.76 173.78 2pvy s GLU 499 N -3.88 3.14 -0.26 0.00 2.02 -0.01 -0.63 118.70 119.08 2pvy s GLU 499 Ca 0.09 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 2pvy s GLU 499 Cb -0.03 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2pvy s GLU 499 CO 0.00 -0.12 -0.04 0.00 0.02 0.00 0.00 175.26 175.12 2pvy s ALA 500 N 1.13 2.76 -0.27 5.21 0.00 -0.51 -1.12 121.76 128.97 2pvy s ALA 500 Ca 0.01 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 2pvy s ALA 500 Cb -0.14 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 2pvy s ALA 500 CO -0.06 -0.85 1.32 0.08 0.00 0.00 0.00 175.76 176.24 2pvy s VAL 501 N 1.35 4.14 -1.45 0.00 1.01 -0.06 -1.80 120.40 123.59 2pvy s VAL 501 Ca 0.00 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 2pvy s VAL 501 Cb -0.17 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.13 2pvy s VAL 501 CO -0.03 -0.39 0.76 0.61 0.00 0.00 0.00 175.10 176.04 2pvy n GLY 502 N 4.20 -0.48 0.00 4.51 0.00 0.12 -4.83 105.19 108.71 2pvy n GLY 502 Ca 0.15 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.32 2pvy n GLY 502 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2pvy n ILE 503 N -4.61 0.00 -3.69 -0.61 3.06 -1.25 -3.75 119.36 108.52 2pvy n ILE 503 Ca -0.07 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.88 2pvy n ILE 503 Cb 0.60 -0.50 -0.15 0.00 0.54 0.00 0.00 39.64 40.13 2pvy n ILE 503 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2pvy s ASP 504 N -1.77 3.74 0.54 9.51 -1.08 -1.26 -5.00 116.67 121.35 2pvy s ASP 504 Ca 0.06 -1.43 0.44 0.00 -0.52 0.00 0.00 52.55 51.10 2pvy s ASP 504 Cb 0.03 -0.70 1.64 0.00 -1.46 0.00 0.00 42.92 42.44 2pvy s ASP 504 CO 0.05 -0.40 1.65 0.07 0.52 0.00 0.00 175.17 177.06 2pvy h LYS 505 N 8.19 0.01 -0.46 4.34 5.09 -1.96 0.13 116.57 131.91 2pvy h LYS 505 Ca -0.16 -0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.66 2pvy h LYS 505 Cb 1.03 -0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.29 2pvy h LYS 505 CO 0.44 0.01 0.06 0.38 -2.09 0.00 0.00 179.45 178.25 2pvy h ASP 506 N 0.01 -0.07 -2.62 7.07 3.04 -1.95 -3.07 116.42 118.84 2pvy h ASP 506 Ca 0.81 0.09 -0.69 0.00 -3.24 0.00 0.00 57.03 54.01 2pvy h ASP 506 Cb 3.17 0.14 -0.36 0.00 -1.04 0.00 0.00 39.33 41.24 2pvy h ASP 506 CO -0.06 -0.00 -0.05 2.29 -2.04 0.00 0.00 179.24 179.37 2pvy n LYS 507 N -5.15 3.19 -0.36 4.15 2.85 0.44 -4.95 118.16 118.34 2pvy n LYS 507 Ca 0.04 -4.61 0.04 0.00 -1.05 0.00 0.00 58.31 52.74 2pvy n LYS 507 Cb 0.23 -2.37 0.11 0.00 -0.65 0.00 0.00 35.03 32.36 2pvy n LYS 507 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 2pvy h PRO 508 N 4.89 -0.00 -0.44 -1.58 0.11 -1.63 0.16 132.00 133.51 2pvy h PRO 508 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pvy h PRO 508 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2pvy h PRO 508 CO 1.01 -0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 2pvy n LYS 509 N -5.59 2.02 -3.31 1.05 4.01 -1.26 -3.60 118.16 111.48 2pvy n LYS 509 Ca 0.14 -1.55 -0.39 0.00 -0.51 0.00 0.00 58.31 56.00 2pvy n LYS 509 Cb 0.47 -1.35 -0.08 0.00 -0.51 0.00 0.00 35.03 33.56 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 -1.44 4.07 -0.00 1.97 2.12 0.56 -4.80 118.70 121.18 2pvy s GLU 510 Ca 0.29 0.21 -0.26 0.00 0.36 0.00 0.00 54.97 55.57 2pvy s GLU 510 Cb 0.15 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2pvy s GLU 510 CO 0.19 -0.26 0.79 0.00 -0.54 0.00 0.00 175.26 175.45 2pvy s ALA 511 N 2.02 3.31 0.00 6.30 0.00 -1.26 0.14 121.76 132.27 2pvy s ALA 511 Ca 0.19 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2pvy s ALA 511 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2pvy s ALA 511 CO 0.09 -0.06 -0.16 0.54 0.00 0.00 0.00 175.76 176.17 2pvy s VAL 512 N 0.49 1.26 0.06 0.00 0.11 -0.74 -4.93 120.40 116.65 2pvy s VAL 512 Ca 0.41 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.38 2pvy s VAL 512 Cb -0.20 -1.07 -0.06 0.00 -1.53 0.00 0.00 36.38 33.53 2pvy s VAL 512 CO 0.22 0.28 1.18 -0.89 -3.33 0.00 0.00 175.10 172.57 2pvy s THR 513 N -0.49 4.07 0.22 5.04 2.01 -1.26 -1.42 115.64 123.80 2pvy s THR 513 Ca 0.05 1.49 -0.00 0.00 0.31 0.00 0.00 61.69 63.55 2pvy s THR 513 Cb -0.07 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2pvy s THR 513 CO -0.00 0.12 0.13 0.68 -0.69 0.00 0.00 174.62 174.86 2pvy s VAL 514 N 1.01 0.12 -0.11 3.82 -7.23 0.20 -4.37 120.40 113.83 2pvy s VAL 514 Ca 0.58 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2pvy s VAL 514 Cb -0.29 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2pvy s VAL 514 CO 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 175.07 2pvy s ALA 515 N -4.06 3.16 -0.17 1.32 0.00 -0.22 -0.87 121.76 120.92 2pvy s ALA 515 Ca 0.39 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2pvy s ALA 515 Cb 0.07 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.72 2pvy s ALA 515 CO 0.13 0.46 -0.18 0.08 0.00 0.00 0.00 175.76 176.25 2pvy s VAL 516 N -0.45 2.31 -0.16 0.00 1.01 0.27 -0.70 120.40 122.67 2pvy s VAL 516 Ca 0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2pvy s VAL 516 Cb -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2pvy s VAL 516 CO 0.02 0.52 0.20 -0.75 0.00 0.00 0.00 175.10 175.10 2pvy s LYS 517 N 1.13 4.06 0.30 2.72 2.20 0.62 -0.72 119.74 130.06 2pvy s LYS 517 Ca 0.01 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 2pvy s LYS 517 Cb -0.14 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2pvy s LYS 517 CO -0.07 0.39 0.38 0.00 -0.36 0.00 0.00 175.35 175.68 2pvy s MET 518 N 0.07 1.71 0.26 4.03 0.23 -0.25 -0.46 119.30 124.90 2pvy s MET 518 Ca 0.13 -1.73 -0.10 0.00 -1.03 0.00 0.00 55.69 52.96 2pvy s MET 518 Cb -0.12 0.39 -0.07 0.00 -1.53 0.00 0.00 34.83 33.50 2pvy s MET 518 CO 0.02 -0.68 0.59 -0.51 -2.03 0.00 0.00 175.02 172.41 2pvy s LEU 519 N -3.23 4.12 0.70 0.18 1.43 -1.26 -3.05 118.68 117.58 2pvy s LEU 519 Ca 0.33 0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 54.29 2pvy s LEU 519 Cb 0.01 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.52 2pvy s LEU 519 CO 0.19 -0.12 1.07 -0.54 0.23 0.00 0.00 176.35 177.18 2pvy s LYS 520 N -2.97 2.71 0.53 1.70 1.02 -1.26 -4.89 119.74 116.58 2pvy s LYS 520 Ca 0.48 0.28 0.26 0.00 0.02 0.00 0.00 55.97 57.02 2pvy s LYS 520 Cb -0.11 -2.07 1.47 0.00 -0.52 0.00 0.00 37.83 36.61 2pvy s LYS 520 CO 0.22 -1.06 2.10 0.22 -0.92 0.00 0.00 175.35 175.91 2pvy h ASP 521 N -0.61 0.00 -0.81 2.83 -0.00 -2.04 -2.14 116.42 113.64 2pvy h ASP 521 Ca -0.45 0.00 -0.36 0.00 -0.00 0.00 0.00 57.03 56.21 2pvy h ASP 521 Cb 1.27 0.00 -0.22 0.00 -0.00 0.00 0.00 39.33 40.38 2pvy h ASP 521 CO 0.63 0.10 0.42 -0.90 -0.00 0.00 0.00 179.24 179.50 2pvy n ASP 522 N -3.77 3.93 -4.75 2.28 3.85 -1.26 -5.01 116.55 111.82 2pvy n ASP 522 Ca -0.02 -3.50 -0.37 0.00 -0.71 0.00 0.00 54.79 50.19 2pvy n ASP 522 Cb 0.21 -0.78 0.04 0.00 -1.35 0.00 0.00 41.12 39.24 2pvy n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pvy s ALA 523 N -3.19 2.69 0.60 2.12 0.00 -0.81 -5.05 121.76 118.13 2pvy s ALA 523 Ca 0.54 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.75 2pvy s ALA 523 Cb 0.45 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 20.16 2pvy s ALA 523 CO 0.10 -1.25 0.83 0.95 0.00 0.00 0.00 175.76 176.39 2pvy s THR 524 N -1.43 2.14 0.12 0.00 -4.23 -1.26 -4.97 115.64 106.00 2pvy s THR 524 Ca 0.74 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 2pvy s THR 524 Cb -0.35 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 2pvy s THR 524 CO 0.40 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 176.02 2pvy h GLU 525 N 0.05 0.59 -0.34 3.99 4.81 -2.01 -2.62 114.58 119.05 2pvy h GLU 525 Ca -0.31 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2pvy h GLU 525 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2pvy h GLU 525 CO 0.40 0.63 0.23 -0.22 -0.73 0.00 0.00 179.01 179.32 2pvy h LYS 526 N 0.44 0.27 -0.40 1.92 1.63 -1.98 -1.79 116.57 116.66 2pvy h LYS 526 Ca 0.12 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.76 2pvy h LYS 526 Cb 0.31 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2pvy h LYS 526 CO 0.00 0.18 -0.29 -0.44 -3.45 0.00 0.00 179.45 175.46 2pvy h ASP 527 N 0.28 0.89 -0.14 4.20 3.32 -1.85 0.43 116.42 123.55 2pvy h ASP 527 Ca 0.15 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2pvy h ASP 527 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2pvy h ASP 527 CO -0.03 1.11 0.03 0.25 -1.72 0.00 0.00 179.24 178.88 2pvy h LEU 528 N 0.73 0.22 -1.28 1.55 5.85 -1.17 -1.26 115.31 119.95 2pvy h LEU 528 Ca 0.08 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2pvy h LEU 528 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2pvy h LEU 528 CO 0.07 0.42 -0.35 0.77 -0.34 0.00 0.00 178.44 179.01 2pvy h SER 529 N 0.02 0.02 -0.20 1.25 4.64 -1.31 -1.46 113.55 116.52 2pvy h SER 529 Ca 0.04 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 2pvy h SER 529 Cb 0.29 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2pvy h SER 529 CO 0.00 0.37 -0.52 0.44 -0.87 0.00 0.00 176.83 176.26 2pvy h ASP 530 N 0.02 0.86 -0.04 4.97 5.19 -0.73 -1.50 116.42 125.19 2pvy h ASP 530 Ca -0.00 -0.45 -0.14 0.00 -0.62 0.00 0.00 57.03 55.82 2pvy h ASP 530 Cb 0.63 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2pvy h ASP 530 CO 0.05 1.22 -0.44 0.25 -3.12 0.00 0.00 179.24 177.19 2pvy h LEU 531 N 0.61 0.62 0.66 1.55 5.85 -0.80 -0.73 115.31 123.07 2pvy h LEU 531 Ca 0.02 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2pvy h LEU 531 Cb 1.10 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.96 2pvy h LEU 531 CO 0.11 0.97 -0.32 0.58 -0.34 0.00 0.00 178.44 179.45 2pvy h VAL 532 N 0.47 0.10 -0.94 1.05 2.07 -1.24 -1.45 116.25 116.31 2pvy h VAL 532 Ca 0.03 -0.32 0.20 0.00 0.82 0.00 0.00 66.70 67.42 2pvy h VAL 532 Cb 0.96 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 2pvy h VAL 532 CO 0.09 0.01 0.52 -1.28 0.02 0.00 0.00 177.57 176.93 2pvy h SER 533 N -1.18 0.61 -0.57 0.57 0.87 -1.30 0.12 113.55 112.66 2pvy h SER 533 Ca -0.09 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2pvy h SER 533 Cb 0.71 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 2pvy h SER 533 CO 0.15 0.17 0.14 -0.08 -0.53 0.00 0.00 176.83 176.68 2pvy h GLU 534 N 0.62 0.92 -0.15 2.24 4.81 -1.07 -0.76 114.58 121.19 2pvy h GLU 534 Ca 0.56 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2pvy h GLU 534 Cb 0.93 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2pvy h GLU 534 CO -0.43 0.85 0.05 1.98 -0.73 0.00 0.00 179.01 180.73 2pvy h MET 535 N 0.82 0.24 -0.82 1.92 4.05 0.27 -2.81 114.93 118.59 2pvy h MET 535 Ca 0.18 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2pvy h MET 535 Cb 0.35 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2pvy h MET 535 CO 0.00 0.36 0.40 0.93 0.23 0.00 0.00 176.91 178.83 2pvy h GLU 536 N 0.07 1.18 -0.87 0.39 4.39 -0.81 -2.69 114.58 116.24 2pvy h GLU 536 Ca 0.05 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2pvy h GLU 536 Cb 0.22 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2pvy h GLU 536 CO -0.00 0.90 0.50 0.52 -1.16 0.00 0.00 179.01 179.77 2pvy h MET 537 N 1.17 1.20 -0.02 2.33 2.86 -1.09 -1.97 114.93 119.40 2pvy h MET 537 Ca 0.28 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2pvy h MET 537 Cb 0.11 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2pvy h MET 537 CO -0.04 0.85 -0.38 0.52 1.06 0.00 0.00 176.91 178.93 2pvy h MET 538 N 1.21 0.03 -0.14 1.72 2.86 -1.22 -0.14 114.93 119.26 2pvy h MET 538 Ca 0.31 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2pvy h MET 538 Cb -0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2pvy h MET 538 CO -0.05 0.41 0.02 0.87 1.06 0.00 0.00 176.91 179.22 2pvy h LYS 539 N 0.03 0.22 0.00 1.72 1.57 -1.06 -3.23 116.57 115.82 2pvy h LYS 539 Ca 0.00 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2pvy h LYS 539 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2pvy h LYS 539 CO 0.05 0.40 -0.56 0.00 -0.57 0.00 0.00 179.45 178.77 2pvy h MET 540 N 0.01 0.00 -0.39 3.15 -0.00 -1.13 -3.28 114.93 113.28 2pvy h MET 540 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.72 2pvy h MET 540 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.87 2pvy h MET 540 CO 0.00 0.56 0.14 0.82 -0.00 0.00 0.00 176.91 178.43 2pvy h ILE 541 N 0.00 1.16 0.00 -0.10 2.04 -1.04 -3.49 117.51 116.08 2pvy h ILE 541 Ca -0.01 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2pvy h ILE 541 Cb 1.19 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2pvy h ILE 541 CO 0.07 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2pvy n GLY 542 N -1.14 -0.13 3.85 5.37 0.00 -1.24 -4.93 105.19 106.97 2pvy n GLY 542 Ca 0.03 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.19 3.50 -0.05 1.61 1.02 -1.26 -4.99 119.74 118.37 2pvy s LYS 543 Ca 0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 2pvy s LYS 543 Cb 0.00 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2pvy s LYS 543 CO 0.00 0.72 0.37 -1.58 -0.92 0.00 0.00 175.35 173.94 2pvy s HIS 544 N -0.85 -0.30 0.41 3.18 2.46 -1.26 -5.06 115.29 113.87 2pvy s HIS 544 Ca 0.14 0.57 0.10 0.00 0.47 0.00 0.00 55.06 56.34 2pvy s HIS 544 Cb -0.12 0.14 0.91 0.00 -0.13 0.00 0.00 32.58 33.39 2pvy s HIS 544 CO 0.03 -0.36 2.00 1.57 -2.47 0.00 0.00 174.74 175.51 2pvy h LYS 545 N 4.24 0.52 -0.93 2.88 -0.00 -1.98 -2.48 116.57 118.81 2pvy h LYS 545 Ca -0.29 -0.03 -0.44 0.00 -0.00 0.00 0.00 60.65 59.90 2pvy h LYS 545 Cb 1.17 -0.12 -0.26 0.00 -0.00 0.00 0.00 32.23 33.03 2pvy h LYS 545 CO 0.36 0.34 0.55 0.09 -0.00 0.00 0.00 179.45 180.79 2pvy n ASN 546 N -4.48 4.06 -3.88 7.07 5.03 -1.26 -4.80 115.26 117.00 2pvy n ASN 546 Ca 0.08 -3.50 -0.19 0.00 0.87 0.00 0.00 54.58 51.84 2pvy n ASN 546 Cb 0.25 -0.82 -0.16 0.00 -1.02 0.00 0.00 39.78 38.03 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 -3.22 0.47 0.11 2.41 1.01 -0.94 -0.64 121.20 120.39 2pvy s ILE 547 Ca 0.57 -0.09 -0.32 0.00 0.00 0.00 0.00 60.65 60.80 2pvy s ILE 547 Cb 0.47 -0.50 -0.12 0.00 0.01 0.00 0.00 42.46 42.32 2pvy s ILE 547 CO 0.12 0.20 1.78 -0.38 0.00 0.00 0.00 174.94 176.66 2pvy n ILE 548 N 3.99 0.29 -3.87 2.92 2.08 0.03 -4.65 119.36 120.15 2pvy n ILE 548 Ca -0.25 -0.05 -0.37 0.00 0.56 0.00 0.00 62.75 62.64 2pvy n ILE 548 Cb 0.51 -1.95 -0.06 0.00 -0.75 0.00 0.00 39.64 37.39 2pvy n ILE 548 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2pvy s ASN 549 N 2.40 6.39 0.27 4.38 6.03 -1.26 -4.93 114.94 128.22 2pvy s ASN 549 Ca 0.82 0.47 -0.29 0.00 -1.03 0.00 0.00 52.86 52.83 2pvy s ASN 549 Cb -0.56 -2.07 -0.09 0.00 -3.03 0.00 0.00 41.25 35.49 2pvy s ASN 549 CO 0.39 0.40 1.23 -0.22 -2.03 0.00 0.00 177.10 176.87 2pvy s LEU 550 N -1.00 4.47 -0.01 3.54 2.96 -1.26 -1.31 118.68 126.07 2pvy s LEU 550 Ca 0.15 2.43 0.05 0.00 -0.22 0.00 0.00 54.13 56.55 2pvy s LEU 550 Cb -0.12 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 2pvy s LEU 550 CO 0.04 -0.39 0.12 0.18 -1.32 0.00 0.00 176.35 174.98 2pvy n LEU 551 N 1.55 0.01 0.00 -0.68 4.77 0.74 -4.90 117.00 118.49 2pvy n LEU 551 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pvy n LEU 551 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2pvy n LEU 551 CO 0.57 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2pvy n GLY 552 N 2.16 -1.93 3.49 -0.72 0.00 -1.02 -5.02 105.19 102.16 2pvy n GLY 552 Ca -0.01 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.36 -1.76 -0.35 4.61 0.00 -0.81 -0.81 121.76 121.28 2pvy s ALA 553 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2pvy s ALA 553 Cb 0.00 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.48 2pvy s ALA 553 CO 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 175.76 175.28 2pvy n THR 555 N 4.47 0.00 -4.11 0.00 -2.24 -1.26 -1.75 114.28 109.38 2pvy n THR 555 Ca -0.03 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 2pvy n THR 555 Cb 0.42 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.63 2.88 -0.30 -0.78 -1.52 -1.26 -4.78 119.66 112.27 2pvy s GLN 556 Ca 0.04 -0.64 -0.27 0.00 -1.95 0.00 0.00 55.36 52.55 2pvy s GLN 556 Cb 0.07 -2.73 0.04 0.00 -0.22 0.00 0.00 33.01 30.16 2pvy s GLN 556 CO 0.31 0.59 0.45 -0.25 -0.25 0.00 0.00 175.29 176.15 2pvy n ASP 557 N 0.82 -3.96 0.00 5.90 8.00 -1.26 -4.82 116.55 121.23 2pvy n ASP 557 Ca -0.11 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2pvy n ASP 557 Cb 0.52 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.06 1.94 3.76 0.44 0.00 -1.26 -5.10 105.19 104.90 2pvy n GLY 558 Ca -0.06 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.44 3.45 -0.06 1.61 0.04 -1.26 -4.89 135.00 132.44 2pvy s PRO 559 Ca 0.00 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 2pvy s PRO 559 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2pvy s PRO 559 CO 0.00 -0.93 1.31 -1.17 0.04 0.00 0.00 177.00 176.25 2pvy s LEU 560 N -3.14 4.27 -0.17 -3.56 2.96 -1.26 -4.70 118.68 113.07 2pvy s LEU 560 Ca 0.66 1.91 0.01 0.00 -0.22 0.00 0.00 54.13 56.49 2pvy s LEU 560 Cb -0.39 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.77 2pvy s LEU 560 CO 0.48 -0.69 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.34 2pvy s TYR 561 N 2.72 2.52 -0.37 5.38 2.02 -0.72 -4.40 117.35 124.49 2pvy s TYR 561 Ca 0.59 -1.51 -0.14 0.00 -0.37 0.00 0.00 57.07 55.64 2pvy s TYR 561 Cb -0.27 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2pvy s TYR 561 CO 0.22 -0.75 0.30 0.08 -1.57 0.00 0.00 175.55 173.83 2pvy s VAL 562 N 1.37 5.24 -0.32 0.71 1.01 0.39 -1.61 120.40 127.20 2pvy s VAL 562 Ca 0.04 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 2pvy s VAL 562 Cb -0.14 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2pvy s VAL 562 CO -0.11 -0.16 0.50 -0.63 0.00 0.00 0.00 175.10 174.70 2pvy s ILE 563 N 1.79 5.05 0.31 2.22 1.01 0.01 -0.28 121.20 131.31 2pvy s ILE 563 Ca 0.07 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.30 2pvy s ILE 563 Cb -0.18 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 2pvy s ILE 563 CO 0.11 -0.09 -0.02 0.68 0.00 0.00 0.00 174.94 175.61 2pvy s VAL 564 N 2.34 1.60 0.43 2.92 -7.23 0.12 -0.18 120.40 120.40 2pvy s VAL 564 Ca 0.19 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 2pvy s VAL 564 Cb -0.15 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 2pvy s VAL 564 CO 0.12 -0.18 1.41 1.21 -0.31 0.00 0.00 175.10 177.35 2pvy n GLU 565 N -0.67 2.26 -3.36 4.82 2.13 -0.43 -1.06 120.64 124.33 2pvy n GLU 565 Ca -0.04 0.80 -0.38 0.00 0.66 0.00 0.00 57.16 58.20 2pvy n GLU 565 Cb 0.65 -2.58 -0.06 0.00 0.27 0.00 0.00 31.44 29.71 2pvy n GLU 565 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pvy s TYR 566 N -1.18 3.59 -0.37 4.31 5.04 -1.26 -4.42 117.35 123.06 2pvy s TYR 566 Ca 0.60 0.94 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 2pvy s TYR 566 Cb -0.47 -2.48 0.09 0.00 0.35 0.00 0.00 41.96 39.46 2pvy s TYR 566 CO 0.59 0.33 0.13 0.00 -1.34 0.00 0.00 175.55 175.26 2pvy s ALA 567 N 0.03 3.03 0.58 3.97 0.00 -1.26 -4.96 121.76 123.15 2pvy s ALA 567 Ca 0.25 -2.30 0.29 0.00 0.00 0.00 0.00 51.96 50.21 2pvy s ALA 567 Cb -0.16 -2.24 1.45 0.00 0.00 0.00 0.00 23.12 22.17 2pvy s ALA 567 CO 0.12 -1.63 1.86 0.66 0.00 0.00 0.00 175.76 176.76 2pvy h SER 568 N 8.00 0.00 -0.71 0.00 4.64 -1.94 -2.75 113.55 120.79 2pvy h SER 568 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2pvy h SER 568 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2pvy h SER 568 CO 0.63 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.88 2pvy n LYS 569 N -3.80 2.94 0.00 4.77 5.02 -0.70 -5.01 118.16 121.39 2pvy n LYS 569 Ca 0.12 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 2pvy n LYS 569 Cb 0.79 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2pvy n LYS 569 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pvy n GLY 570 N 1.53 -0.55 3.79 0.72 0.00 -1.04 -4.60 105.19 105.04 2pvy n GLY 570 Ca 0.25 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.00 6.78 0.38 1.61 2.20 -1.26 -0.98 114.94 119.68 2pvy s ASN 571 Ca 0.00 1.92 0.13 0.00 -0.94 0.00 0.00 52.86 53.97 2pvy s ASN 571 Cb 0.00 -2.57 0.95 0.00 -2.00 0.00 0.00 41.25 37.63 2pvy s ASN 571 CO 0.00 -0.47 1.85 0.25 -2.94 0.00 0.00 177.10 175.79 2pvy h LEU 572 N 2.29 0.54 0.08 3.54 5.85 -0.51 -0.64 115.31 126.46 2pvy h LEU 572 Ca -0.48 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2pvy h LEU 572 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2pvy h LEU 572 CO 0.62 0.23 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.82 2pvy h ARG 573 N 0.55 -0.10 -0.49 1.25 2.43 -1.82 -0.65 114.38 115.55 2pvy h ARG 573 Ca 0.48 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.53 2pvy h ARG 573 Cb 0.99 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 2pvy h ARG 573 CO -0.22 -0.02 -0.18 0.93 -1.51 0.00 0.00 179.97 178.98 2pvy h GLU 574 N -0.16 0.99 -0.36 0.20 5.08 -1.79 -2.03 114.58 116.51 2pvy h GLU 574 Ca -0.01 -0.41 0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2pvy h GLU 574 Cb 0.13 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2pvy h GLU 574 CO 0.02 1.08 -0.03 -0.92 -1.00 0.00 0.00 179.01 178.17 2pvy h TYR 575 N 0.85 -0.07 -0.15 4.33 3.20 -0.95 -0.52 116.97 123.67 2pvy h TYR 575 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2pvy h TYR 575 Cb 0.75 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 2pvy h TYR 575 CO 0.05 -0.09 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.30 2pvy h LEU 576 N 0.07 0.35 -0.88 2.82 3.38 -1.02 -2.93 115.31 117.09 2pvy h LEU 576 Ca 0.18 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2pvy h LEU 576 Cb 0.25 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2pvy h LEU 576 CO -0.32 0.73 0.56 0.03 0.09 0.00 0.00 178.44 179.54 2pvy h ARG 577 N -0.03 1.04 -0.29 1.13 3.08 -1.22 -1.86 114.38 116.24 2pvy h ARG 577 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2pvy h ARG 577 Cb 0.62 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2pvy h ARG 577 CO 0.03 0.69 0.09 0.00 -1.07 0.00 0.00 179.97 179.71 2pvy h ALA 578 N 1.38 1.62 -1.10 0.04 0.00 -1.06 -3.11 119.26 117.04 2pvy h ALA 578 Ca 0.36 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.55 2pvy h ALA 578 Cb 0.06 -0.12 -0.38 0.00 0.00 0.00 0.00 17.79 17.34 2pvy h ALA 578 CO -0.14 0.30 -0.23 2.89 0.00 0.00 0.00 179.25 182.07 2pvy n ARG 579 N -4.39 3.27 -2.74 0.00 0.00 -0.72 -1.74 116.66 110.33 2pvy n ARG 579 Ca 0.01 -4.05 -0.35 0.00 -0.00 0.00 0.00 57.85 53.46 2pvy n ARG 579 Cb 0.15 -2.27 -0.06 0.00 -0.00 0.00 0.00 32.46 30.28 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 -3.69 4.31 0.64 2.89 0.52 -1.09 -1.94 118.95 120.59 2pvy s ARG 580 Ca 0.52 1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 56.83 2pvy s ARG 580 Cb 0.43 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 2pvy s ARG 580 CO -0.12 0.03 1.21 -2.14 0.02 0.00 0.00 175.30 174.30 2pvy s PRO 581 N -2.70 2.70 0.59 3.54 0.02 -1.26 -4.91 135.00 132.98 2pvy s PRO 581 Ca 0.58 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 63.23 2pvy s PRO 581 Cb -0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2pvy s PRO 581 CO 0.19 -1.42 1.08 -2.14 -0.33 0.00 0.00 177.00 174.39 2pvy s PRO 582 N -3.55 3.24 0.00 5.54 0.02 -1.26 -4.77 135.00 134.22 2pvy s PRO 582 Ca 0.76 1.34 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2pvy s PRO 582 Cb -0.30 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.21 2pvy s PRO 582 CO 0.38 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 2pvy n GLY 583 N -0.58 -2.68 0.00 0.52 0.00 -1.26 -5.28 105.19 95.91 2pvy n GLY 583 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2pvy n GLY 583 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2pvy n MET 584 N 0.11 0.00 -2.78 1.61 3.85 -1.26 -5.24 117.12 113.41 2pvy n MET 584 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.70 56.69 2pvy n MET 584 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 33.22 32.19 2pvy n MET 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2pvy s ASP 589 N -1.75 -0.59 0.00 3.17 -0.00 -1.26 -5.21 116.67 111.03 2pvy s ASP 589 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 52.55 52.05 2pvy s ASP 589 Cb 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 42.92 43.68 2pvy s ASP 589 CO 0.00 -0.04 0.00 2.30 -0.00 0.00 0.00 175.17 177.43 2pvy n ILE 590 N 3.26 0.00 -2.57 0.77 -0.00 -1.26 -5.13 119.36 114.43 2pvy n ILE 590 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.52 2pvy n ILE 590 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.22 2pvy n ILE 590 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2pvy s ASN 591 N 1.95 6.55 0.05 7.28 2.20 -1.26 -5.06 114.94 126.65 2pvy s ASN 591 Ca 0.00 1.77 0.04 0.00 -0.94 0.00 0.00 52.86 53.73 2pvy s ASN 591 Cb 0.00 -2.54 -0.02 0.00 -2.00 0.00 0.00 41.25 36.68 2pvy s ASN 591 CO 0.00 -0.64 -0.11 -0.13 -2.94 0.00 0.00 177.10 173.28 2pvy s ARG 592 N -3.44 0.71 -0.50 3.55 0.52 -1.26 -4.48 118.95 114.04 2pvy s ARG 592 Ca 0.64 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 55.14 2pvy s ARG 592 Cb -0.13 -0.63 0.22 0.00 0.52 0.00 0.00 34.95 34.93 2pvy s ARG 592 CO 0.21 0.14 0.54 0.28 0.02 0.00 0.00 175.30 176.49 2pvy n VAL 593 N 1.64 0.32 -0.17 3.52 0.31 -0.71 -4.98 118.33 118.26 2pvy n VAL 593 Ca -0.20 -4.33 0.12 0.00 -0.01 0.00 0.00 64.34 59.92 2pvy n VAL 593 Cb 0.55 -1.96 0.46 0.00 -0.91 0.00 0.00 33.84 31.97 2pvy n VAL 593 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2pvy h PRO 594 N 4.56 0.50 0.00 5.55 0.13 -1.93 0.16 132.00 140.97 2pvy h PRO 594 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2pvy h PRO 594 Cb 0.81 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2pvy h PRO 594 CO 0.58 0.33 0.00 -0.85 -0.23 0.00 0.00 178.00 177.83 2pvy n GLU 595 N -4.49 0.16 -0.15 0.86 0.00 -1.26 -1.67 120.64 114.09 2pvy n GLU 595 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 57.16 57.37 2pvy n GLU 595 Cb 0.43 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.42 2pvy n GLU 595 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pvy n GLU 596 N -1.05 1.18 -1.46 3.44 1.02 0.54 -5.07 120.64 119.24 2pvy n GLU 596 Ca 0.04 -1.63 -0.49 0.00 -0.02 0.00 0.00 57.16 55.06 2pvy n GLU 596 Cb 0.02 -0.99 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2pvy n GLU 596 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pvy n GLN 597 N -0.65 0.31 -2.46 3.49 7.27 -0.67 -4.81 117.38 119.86 2pvy n GLN 597 Ca 0.06 0.11 -0.42 0.00 0.07 0.00 0.00 57.00 56.82 2pvy n GLN 597 Cb 0.54 -1.28 -0.03 0.00 2.41 0.00 0.00 30.24 31.89 2pvy n GLN 597 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2pvy s MET 598 N -0.89 4.40 0.52 3.69 1.75 -0.82 -5.04 119.30 122.91 2pvy s MET 598 Ca 0.68 1.70 -0.03 0.00 -1.25 0.00 0.00 55.69 56.79 2pvy s MET 598 Cb -0.94 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 33.28 2pvy s MET 598 CO 0.56 -0.34 0.79 0.95 -0.65 0.00 0.00 175.02 176.33 2pvy s THR 599 N 1.64 3.80 0.24 10.11 -4.23 -1.26 -4.89 115.64 121.06 2pvy s THR 599 Ca 0.57 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 2pvy s THR 599 Cb -0.27 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.34 2pvy s THR 599 CO 0.26 -0.39 1.87 0.15 -0.54 0.00 0.00 174.62 175.96 2pvy h PHE 600 N 0.11 1.22 -0.69 3.99 3.57 -2.00 -1.78 116.94 121.37 2pvy h PHE 600 Ca -0.46 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 2pvy h PHE 600 Cb 1.26 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2pvy h PHE 600 CO 0.46 0.83 0.37 -0.22 -2.23 0.00 0.00 178.31 177.53 2pvy h LYS 601 N 1.26 0.95 -0.37 1.11 3.64 -1.96 -1.84 116.57 119.36 2pvy h LYS 601 Ca 0.32 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2pvy h LYS 601 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2pvy h LYS 601 CO -0.05 0.70 0.23 -0.44 -2.27 0.00 0.00 179.45 177.62 2pvy h ASP 602 N 0.96 0.38 -0.38 4.20 3.32 -1.71 0.16 116.42 123.36 2pvy h ASP 602 Ca 0.24 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.31 2pvy h ASP 602 Cb 0.03 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2pvy h ASP 602 CO -0.04 0.27 0.21 -0.07 -1.72 0.00 0.00 179.24 177.90 2pvy h LEU 603 N 0.46 0.34 -0.94 1.55 3.38 -1.06 0.08 115.31 119.13 2pvy h LEU 603 Ca 0.14 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2pvy h LEU 603 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2pvy h LEU 603 CO -0.05 0.25 0.12 0.58 0.09 0.00 0.00 178.44 179.42 2pvy h VAL 604 N 0.44 1.24 -0.64 1.22 2.07 -1.04 -1.41 116.25 118.13 2pvy h VAL 604 Ca 0.15 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2pvy h VAL 604 Cb 0.02 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2pvy h VAL 604 CO -0.08 0.33 0.09 -1.28 0.02 0.00 0.00 177.57 176.65 2pvy h SER 605 N 0.85 1.03 -0.03 0.57 0.87 -0.41 -0.22 113.55 116.21 2pvy h SER 605 Ca 0.18 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2pvy h SER 605 Cb 0.34 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2pvy h SER 605 CO 0.00 1.03 -0.02 0.00 -0.53 0.00 0.00 176.83 177.32 2pvy h THR 607 N -0.02 1.19 -0.35 0.00 2.02 -1.04 -1.84 112.91 112.87 2pvy h THR 607 Ca 0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2pvy h THR 607 Cb 0.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2pvy h THR 607 CO -0.04 0.19 0.14 0.22 0.37 0.00 0.00 175.52 176.40 2pvy h TYR 608 N 0.92 0.53 -0.59 3.16 3.20 -0.79 -0.86 116.97 122.54 2pvy h TYR 608 Ca 0.25 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2pvy h TYR 608 Cb -0.06 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2pvy h TYR 608 CO -0.02 0.48 0.37 1.96 -1.64 0.00 0.00 178.16 179.31 2pvy h GLN 609 N 0.42 0.71 -0.40 1.82 4.20 -0.93 -1.33 115.11 119.60 2pvy h GLN 609 Ca 0.12 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 2pvy h GLN 609 Cb 0.18 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2pvy h GLN 609 CO -0.01 0.47 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.41 2pvy h LEU 610 N 0.73 0.71 -1.03 1.46 3.38 -1.13 -1.22 115.31 118.22 2pvy h LEU 610 Ca 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2pvy h LEU 610 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2pvy h LEU 610 CO -0.09 0.87 0.25 0.00 0.09 0.00 0.00 178.44 179.56 2pvy h ALA 611 N 1.20 1.23 -0.48 1.53 0.00 -0.63 -1.37 119.26 120.73 2pvy h ALA 611 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2pvy h ALA 611 Cb 0.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2pvy h ALA 611 CO 0.04 0.56 0.18 0.00 0.00 0.00 0.00 179.25 180.03 2pvy h ARG 612 N 0.93 0.72 -0.53 0.00 3.08 -0.71 0.16 114.38 118.02 2pvy h ARG 612 Ca 0.22 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2pvy h ARG 612 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2pvy h ARG 612 CO -0.02 0.66 0.24 0.78 -1.07 0.00 0.00 179.97 180.56 2pvy h GLY 613 N 0.63 0.83 1.11 0.04 0.00 -0.78 -2.13 103.07 102.77 2pvy h GLY 613 Ca 0.16 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 2pvy h GLY 613 CO -0.01 0.41 -0.16 -0.33 0.00 0.00 0.00 176.54 176.45 2pvy h MET 614 N 0.71 1.03 -0.82 4.80 2.86 -1.08 -1.34 114.93 121.09 2pvy h MET 614 Ca 0.18 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2pvy h MET 614 Cb 0.15 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2pvy h MET 614 CO -0.02 1.10 0.50 1.49 1.06 0.00 0.00 176.91 181.04 2pvy h GLU 615 N 0.90 0.87 -0.39 1.72 4.81 -0.79 0.27 114.58 121.98 2pvy h GLU 615 Ca 0.13 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2pvy h GLU 615 Cb 0.74 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2pvy h GLU 615 CO 0.06 0.58 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.94 2pvy h TYR 616 N 0.90 0.80 0.06 0.92 5.03 -1.13 -1.71 116.97 121.83 2pvy h TYR 616 Ca 0.37 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2pvy h TYR 616 Cb 0.20 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2pvy h TYR 616 CO -0.04 0.84 -0.06 1.25 -1.32 0.00 0.00 178.16 178.83 2pvy h LEU 617 N 0.53 -0.15 -1.19 2.82 5.85 -0.17 -1.93 115.31 121.07 2pvy h LEU 617 Ca 0.10 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2pvy h LEU 617 Cb 0.56 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2pvy h LEU 617 CO 0.03 -0.09 0.55 0.00 -0.34 0.00 0.00 178.44 178.59 2pvy h ALA 618 N 0.81 1.43 0.00 1.25 0.00 -0.49 0.20 119.26 122.46 2pvy h ALA 618 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pvy h ALA 618 Cb 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pvy h ALA 618 CO -0.01 0.52 -0.05 0.66 0.00 0.00 0.00 179.25 180.37 2pvy h SER 619 N 1.10 0.00 -0.45 0.00 4.64 -0.79 0.34 113.55 118.38 2pvy h SER 619 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2pvy h SER 619 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2pvy h SER 619 CO -0.07 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2pvy n GLN 620 N -3.29 2.07 -3.38 4.77 1.13 0.03 -4.92 117.38 113.79 2pvy n GLN 620 Ca -0.01 -1.66 -0.24 0.00 -1.94 0.00 0.00 57.00 53.15 2pvy n GLN 620 Cb 0.21 -1.36 0.06 0.00 0.11 0.00 0.00 30.24 29.25 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 0.85 -6.43 -5.21 -1.09 5.02 0.12 -4.90 118.16 106.52 2pvy n LYS 621 Ca 0.16 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.98 2pvy n LYS 621 Cb 0.39 -5.80 -0.16 0.00 -0.02 0.00 0.00 35.03 29.44 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 -0.30 4.74 -0.16 0.00 -4.36 0.36 -3.99 121.20 117.49 2pvy s ILE 623 Ca 0.01 -0.19 -0.23 0.00 -0.26 0.00 0.00 60.65 59.98 2pvy s ILE 623 Cb -0.12 -3.07 -0.24 0.00 1.25 0.00 0.00 42.46 40.29 2pvy s ILE 623 CO 0.02 0.53 0.51 -0.74 0.24 0.00 0.00 174.94 175.50 2pvy h HIS 624 N 4.78 0.10 0.00 1.37 -0.00 -1.90 0.11 115.15 119.60 2pvy h HIS 624 Ca -0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 59.79 2pvy h HIS 624 Cb 1.20 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2pvy h HIS 624 CO 0.67 1.31 0.00 0.54 -0.00 0.00 0.00 177.93 180.44 2pvy n ARG 625 N -4.40 0.00 -2.56 5.26 1.74 -1.26 -2.83 116.66 112.60 2pvy n ARG 625 Ca -0.22 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.73 2pvy n ARG 625 Cb 0.65 -1.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.25 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 2.76 -4.70 0.55 4.64 -1.26 -4.85 116.55 113.70 2pvy n ASP 626 Ca 0.00 -2.94 -0.42 0.00 -1.38 0.00 0.00 54.79 50.05 2pvy n ASP 626 Cb 0.00 -0.47 -0.03 0.00 -1.04 0.00 0.00 41.12 39.58 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 -3.46 4.30 -0.09 -2.67 2.96 -1.26 -4.82 118.68 113.63 2pvy s LEU 627 Ca 0.36 1.67 -0.32 0.00 -0.22 0.00 0.00 54.13 55.62 2pvy s LEU 627 Cb 0.41 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.65 2pvy s LEU 627 CO -0.03 -0.43 1.04 0.00 -1.32 0.00 0.00 176.35 175.61 2pvy s ALA 628 N 1.69 -1.94 0.33 5.97 0.00 -1.26 -4.84 121.76 121.71 2pvy s ALA 628 Ca 0.52 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.84 2pvy s ALA 628 Cb -0.21 0.14 0.74 0.00 0.00 0.00 0.00 23.12 23.79 2pvy s ALA 628 CO 0.22 -0.64 1.84 0.00 0.00 0.00 0.00 175.76 177.19 2pvy h ALA 629 N 2.01 1.73 0.00 0.00 0.00 -1.94 0.11 119.26 121.17 2pvy h ALA 629 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pvy h ALA 629 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pvy h ALA 629 CO 0.27 -0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.59 2pvy h ARG 630 N 0.78 0.00 -0.49 0.00 0.11 -1.94 -2.39 114.38 110.46 2pvy h ARG 630 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 2pvy h ARG 630 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2pvy h ARG 630 CO -0.26 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.90 2pvy n ASN 631 N -2.71 4.24 -4.44 0.08 5.03 0.39 -4.80 115.26 113.04 2pvy n ASN 631 Ca -0.01 -2.53 -0.33 0.00 0.87 0.00 0.00 54.58 52.58 2pvy n ASN 631 Cb 0.15 -0.51 -0.13 0.00 -1.02 0.00 0.00 39.78 38.28 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 -1.97 3.33 0.09 2.41 1.01 -0.91 -1.32 120.40 123.03 2pvy s VAL 632 Ca 0.43 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.88 2pvy s VAL 632 Cb 0.30 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2pvy s VAL 632 CO 0.18 0.54 0.03 -0.76 0.00 0.00 0.00 175.10 175.09 2pvy s LEU 633 N 0.06 3.59 -0.14 3.92 1.43 0.22 -0.23 118.68 127.53 2pvy s LEU 633 Ca -0.04 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2pvy s LEU 633 Cb -0.14 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 2pvy s LEU 633 CO 0.04 0.17 -0.18 -0.69 0.23 0.00 0.00 176.35 175.92 2pvy s VAL 634 N -1.35 2.45 0.21 -1.59 1.01 -0.15 -0.44 120.40 120.54 2pvy s VAL 634 Ca 0.27 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.48 2pvy s VAL 634 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2pvy s VAL 634 CO 0.20 0.53 -0.04 0.42 0.00 0.00 0.00 175.10 176.21 2pvy s THR 635 N 0.67 3.42 0.00 3.92 -4.23 -0.81 -1.72 115.64 116.89 2pvy s THR 635 Ca -0.09 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2pvy s THR 635 Cb -0.16 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2pvy s THR 635 CO 0.02 -0.21 0.00 1.21 -0.54 0.00 0.00 174.62 175.10 2pvy n GLU 636 N -0.36 0.00 -1.28 3.99 4.07 -1.26 -0.90 120.64 124.90 2pvy n GLU 636 Ca -0.09 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.77 2pvy n GLU 636 Cb 0.57 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.94 2pvy n GLU 636 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2pvy n ASN 637 N 0.00 6.60 -3.79 4.31 4.13 -1.26 -4.78 115.26 120.47 2pvy n ASN 637 Ca 0.00 -3.22 -0.26 0.00 1.68 0.00 0.00 54.58 52.78 2pvy n ASN 637 Cb 0.00 -1.15 0.04 0.00 -1.54 0.00 0.00 39.78 37.13 2pvy n ASN 637 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2pvy n ASN 638 N 0.51 -3.77 -4.65 6.41 3.02 -0.08 -4.95 115.26 111.75 2pvy n ASN 638 Ca 0.43 -0.75 -0.38 0.00 -0.03 0.00 0.00 54.58 53.85 2pvy n ASN 638 Cb 0.56 -4.15 -0.08 0.00 -0.61 0.00 0.00 39.78 35.50 2pvy n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pvy s VAL 639 N -3.42 5.21 0.00 2.41 1.01 -0.97 -4.92 120.40 119.73 2pvy s VAL 639 Ca 0.42 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 2pvy s VAL 639 Cb -0.21 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2pvy s VAL 639 CO 0.81 0.24 0.87 -0.04 0.00 0.00 0.00 175.10 176.98 2pvy s MET 640 N 1.50 4.53 -0.14 2.72 -1.94 -1.26 -1.92 119.30 122.79 2pvy s MET 640 Ca 0.16 1.23 -0.01 0.00 -1.71 0.00 0.00 55.69 55.36 2pvy s MET 640 Cb -0.15 -3.43 0.04 0.00 2.01 0.00 0.00 34.83 33.29 2pvy s MET 640 CO 0.08 0.06 -0.05 0.15 -0.01 0.00 0.00 175.02 175.25 2pvy s LYS 641 N 0.68 1.35 0.25 2.03 1.02 0.42 -4.28 119.74 121.21 2pvy s LYS 641 Ca 0.46 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 2pvy s LYS 641 Cb -0.20 -1.77 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 2pvy s LYS 641 CO 0.25 -0.37 1.41 0.42 -0.92 0.00 0.00 175.35 176.14 2pvy s ILE 642 N 1.70 2.73 0.21 2.17 1.01 0.18 -0.61 121.20 128.59 2pvy s ILE 642 Ca 0.03 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.33 2pvy s ILE 642 Cb -0.14 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2pvy s ILE 642 CO -0.08 0.10 0.21 0.00 0.00 0.00 0.00 174.94 175.17 2pvy n ALA 643 N 2.24 0.28 -2.71 9.38 0.00 -0.44 -0.79 120.51 128.47 2pvy n ALA 643 Ca 0.06 -1.16 -0.02 0.00 0.00 0.00 0.00 53.44 52.33 2pvy n ALA 643 Cb 0.41 0.94 0.00 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.10 -6.71 -2.00 0.00 -0.08 -1.26 -4.78 116.55 99.63 2pvy n ASP 644 Ca 0.04 0.08 -0.19 0.00 -1.51 0.00 0.00 54.79 53.20 2pvy n ASP 644 Cb 0.37 -4.50 0.15 0.00 2.34 0.00 0.00 41.12 39.48 2pvy n ASP 644 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2pvy n PHE 645 N -1.27 2.49 0.17 -0.67 3.01 -1.26 -4.53 117.46 115.40 2pvy n PHE 645 Ca 0.03 -1.59 0.03 0.00 1.01 0.00 0.00 57.45 56.92 2pvy n PHE 645 Cb 0.47 -0.82 0.39 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.57 0.09 -1.22 1.37 0.00 -1.90 -2.94 103.07 100.04 2pvy h GLY 646 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2pvy h GLY 646 CO 0.90 0.06 -0.09 1.04 0.00 0.00 0.00 176.54 178.45 2pvy n LEU 647 N -4.19 2.23 -4.73 3.11 4.77 -1.26 -4.69 117.00 112.24 2pvy n LEU 647 Ca -0.02 -0.94 -0.36 0.00 -0.03 0.00 0.00 56.01 54.66 2pvy n LEU 647 Cb 0.34 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2pvy n LEU 647 CO 0.38 0.40 0.87 0.00 -1.33 0.00 0.00 177.39 177.71 2pvy s ALA 648 N -1.55 2.28 0.02 -1.18 0.00 -1.11 -4.72 121.76 115.50 2pvy s ALA 648 Ca 0.18 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 2pvy s ALA 648 Cb 0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2pvy s ALA 648 CO 0.26 -1.70 -0.02 1.03 0.00 0.00 0.00 175.76 175.33 2pvy s ARG 649 N -3.54 0.37 -0.29 0.00 1.81 0.03 -4.98 118.95 112.34 2pvy s ARG 649 Ca 0.80 -0.71 -0.14 0.00 -1.72 0.00 0.00 55.73 53.96 2pvy s ARG 649 Cb -0.35 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 2pvy s ARG 649 CO 0.41 -0.06 0.32 0.34 -0.68 0.00 0.00 175.30 175.63 2pvy s ASP 650 N -1.72 6.17 -0.33 0.23 2.15 -1.26 -0.49 116.67 121.43 2pvy s ASP 650 Ca -0.12 0.07 0.07 0.00 0.43 0.00 0.00 52.55 53.01 2pvy s ASP 650 Cb -0.07 -2.18 0.53 0.00 -0.30 0.00 0.00 42.92 40.90 2pvy s ASP 650 CO -0.03 -0.19 1.54 2.30 -0.17 0.00 0.00 175.17 178.63 2pvy n ILE 651 N 5.14 2.69 -2.00 4.11 -5.35 -0.01 -5.00 119.36 118.95 2pvy n ILE 651 Ca -0.10 -2.71 -0.42 0.00 -0.27 0.00 0.00 62.75 59.26 2pvy n ILE 651 Cb 0.51 -0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 2pvy n ILE 651 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2pvy s ASN 652 N -2.38 6.64 -0.44 7.28 3.04 -1.24 -2.60 114.94 125.23 2pvy s ASN 652 Ca 0.47 2.60 0.00 0.00 0.04 0.00 0.00 52.86 55.98 2pvy s ASN 652 Cb 0.42 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.53 2pvy s ASN 652 CO 0.01 -0.75 0.00 0.59 -3.04 0.00 0.00 177.10 173.91 2pvy n ASN 653 N 3.28 -4.24 -4.00 -4.21 5.03 -1.26 -5.01 115.26 104.86 2pvy n ASN 653 Ca 0.11 0.10 -0.13 0.00 0.87 0.00 0.00 54.58 55.53 2pvy n ASN 653 Cb 0.40 -2.11 -0.13 0.00 -1.02 0.00 0.00 39.78 36.92 2pvy n ASN 653 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2pvy s ILE 654 N -1.91 0.37 0.16 2.41 -4.36 -1.07 -5.06 121.20 111.74 2pvy s ILE 654 Ca 0.00 -0.67 0.21 0.00 -0.26 0.00 0.00 60.65 59.93 2pvy s ILE 654 Cb 0.00 -0.41 0.17 0.00 1.25 0.00 0.00 42.46 43.47 2pvy s ILE 654 CO 0.00 -0.20 1.77 0.44 0.24 0.00 0.00 174.94 177.19 2pvy h ASP 655 N 5.17 0.00 -4.47 4.36 3.32 -1.95 -3.47 116.42 119.38 2pvy h ASP 655 Ca -0.31 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.91 2pvy h ASP 655 Cb 1.20 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 2pvy h ASP 655 CO 0.45 0.31 0.63 -0.72 -1.72 0.00 0.00 179.24 178.19 2pvy s TYR 656 N -3.63 -0.25 0.10 4.55 -0.85 -1.26 -4.89 117.35 111.11 2pvy s TYR 656 Ca 0.00 0.15 -0.10 0.00 -0.52 0.00 0.00 57.07 56.60 2pvy s TYR 656 Cb 0.11 0.53 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 2pvy s TYR 656 CO 0.67 -0.40 0.44 -0.47 -1.52 0.00 0.00 175.55 174.27 2pvy s TYR 657 N -2.81 3.57 -0.36 -3.49 5.04 0.09 -4.89 117.35 114.49 2pvy s TYR 657 Ca 0.07 0.83 -0.10 0.00 -2.44 0.00 0.00 57.07 55.43 2pvy s TYR 657 Cb -0.01 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.13 2pvy s TYR 657 CO -0.07 0.48 0.18 0.21 -1.34 0.00 0.00 175.55 175.01 2pvy s LYS 658 N -2.02 2.81 0.76 4.97 2.47 -1.26 -0.58 119.74 126.89 2pvy s LYS 658 Ca 0.35 -1.08 -0.11 0.00 -1.56 0.00 0.00 55.97 53.57 2pvy s LYS 658 Cb -0.14 -3.67 0.05 0.00 -1.46 0.00 0.00 37.83 32.61 2pvy s LYS 658 CO 0.19 -0.68 1.10 -0.80 0.16 0.00 0.00 175.35 175.32 2pvy s ASN 659 N 1.53 4.56 0.74 1.43 -0.87 0.46 -5.02 114.94 117.77 2pvy s ASN 659 Ca 0.01 1.87 -0.11 0.00 -1.57 0.00 0.00 52.86 53.07 2pvy s ASN 659 Cb -0.19 -2.53 0.04 0.00 -0.02 0.00 0.00 41.25 38.55 2pvy s ASN 659 CO 0.06 -2.00 1.10 0.42 -2.57 0.00 0.00 177.10 174.10 2pvy s THR 660 N -2.78 3.34 0.10 1.60 -4.23 -1.26 -4.89 115.64 107.52 2pvy s THR 660 Ca 0.63 0.44 -0.34 0.00 -1.18 0.00 0.00 61.69 61.23 2pvy s THR 660 Cb -0.18 -3.32 -0.14 0.00 1.34 0.00 0.00 72.50 70.19 2pvy s THR 660 CO 0.53 -0.57 1.57 0.74 -0.54 0.00 0.00 174.62 176.36 2pvy h THR 661 N -0.83 0.07 -3.52 3.99 2.02 -1.98 -3.31 112.91 109.35 2pvy h THR 661 Ca -0.46 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.02 2pvy h THR 661 Cb 1.26 0.07 -0.34 0.00 -1.74 0.00 0.00 68.15 67.40 2pvy h THR 661 CO 0.62 0.00 -0.38 0.20 0.37 0.00 0.00 175.52 176.33 2pvy s ASN 662 N -4.54 5.42 1.04 4.18 0.01 -1.26 -5.02 114.94 114.77 2pvy s ASN 662 Ca -0.17 -2.52 -0.14 0.00 -0.71 0.00 0.00 52.86 49.32 2pvy s ASN 662 Cb 0.06 -1.90 0.20 0.00 0.41 0.00 0.00 41.25 40.02 2pvy s ASN 662 CO 0.62 -0.47 1.05 0.61 -1.51 0.00 0.00 177.10 177.39 2pvy n GLY 663 N 3.98 -1.68 1.61 0.66 0.00 -1.25 -4.99 105.19 103.52 2pvy n GLY 663 Ca 0.04 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 2pvy n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy n ARG 664 N -3.47 2.25 -3.90 1.61 1.74 -1.26 -4.97 116.66 108.67 2pvy n ARG 664 Ca 0.13 -3.32 -0.35 0.00 -0.77 0.00 0.00 57.85 53.54 2pvy n ARG 664 Cb 0.47 -2.00 -0.10 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.39 3.77 -0.10 0.55 1.43 -1.26 -5.04 118.68 114.64 2pvy s LEU 665 Ca 0.50 0.01 -0.37 0.00 -1.03 0.00 0.00 54.13 53.25 2pvy s LEU 665 Cb 0.43 -1.98 -0.14 0.00 0.03 0.00 0.00 46.19 44.54 2pvy s LEU 665 CO 0.02 0.10 1.72 -2.65 0.23 0.00 0.00 176.35 175.78 2pvy n PRO 666 N 4.01 1.67 -0.34 1.29 -0.02 -1.26 -4.84 135.00 135.50 2pvy n PRO 666 Ca -0.16 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 2pvy n PRO 666 Cb 0.52 -2.36 0.16 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.87 1.05 0.00 -1.45 2.07 -1.96 -2.64 116.25 118.19 2pvy h VAL 667 Ca -0.47 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2pvy h VAL 667 Cb 1.29 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2pvy h VAL 667 CO 0.92 0.19 0.00 0.29 0.02 0.00 0.00 177.57 179.00 2pvy n LYS 668 N -4.57 0.09 0.00 1.57 5.02 -1.26 -1.46 118.16 117.55 2pvy n LYS 668 Ca 0.14 0.49 0.06 0.00 -2.02 0.00 0.00 58.31 56.98 2pvy n LYS 668 Cb 0.19 -1.75 0.05 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.93 0.00 -2.80 2.13 8.01 -1.00 -4.97 117.44 116.87 2pvy n TRP 669 Ca 0.01 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.78 2pvy n TRP 669 Cb 0.09 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.36 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 -0.98 4.48 0.56 -0.99 -1.94 -0.53 -4.07 119.30 115.82 2pvy s MET 670 Ca 0.14 1.25 -0.20 0.00 -1.71 0.00 0.00 55.69 55.16 2pvy s MET 670 Cb 0.10 -3.48 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 2pvy s MET 670 CO 0.15 -0.10 1.22 0.00 -0.01 0.00 0.00 175.02 176.27 2pvy s ALA 671 N 1.27 2.68 0.33 3.03 0.00 -1.26 -4.82 121.76 123.00 2pvy s ALA 671 Ca 0.46 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.50 2pvy s ALA 671 Cb -0.19 -3.45 0.67 0.00 0.00 0.00 0.00 23.12 20.15 2pvy s ALA 671 CO 0.22 -1.07 1.91 -1.35 0.00 0.00 0.00 175.76 175.47 2pvy h PRO 672 N 1.23 0.83 -0.95 0.00 0.11 -1.96 -1.76 132.00 129.50 2pvy h PRO 672 Ca -0.50 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.57 2pvy h PRO 672 Cb 1.29 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 2pvy h PRO 672 CO 0.57 0.55 0.63 0.93 -0.21 0.00 0.00 178.00 180.47 2pvy h GLU 673 N 0.86 1.25 -0.03 1.05 3.07 -1.91 0.95 114.58 119.82 2pvy h GLU 673 Ca 0.39 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 2pvy h GLU 673 Cb 0.39 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2pvy h GLU 673 CO -0.16 0.82 -0.01 0.00 -1.40 0.00 0.00 179.01 178.26 2pvy h ALA 674 N 1.35 0.04 -0.02 3.43 0.00 -1.10 0.33 119.26 123.29 2pvy h ALA 674 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pvy h ALA 674 Cb -0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pvy h ALA 674 CO -0.08 -0.24 0.01 1.25 0.00 0.00 0.00 179.25 180.19 2pvy h LEU 675 N -0.34 0.02 0.00 0.00 5.85 -1.02 -2.15 115.31 117.68 2pvy h LEU 675 Ca 0.01 -0.09 -0.35 0.00 0.84 0.00 0.00 57.88 58.29 2pvy h LEU 675 Cb 0.43 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2pvy h LEU 675 CO 0.00 0.11 -2.19 0.49 -0.34 0.00 0.00 178.44 176.51 2pvy n PHE 676 N -5.03 0.32 0.47 1.25 0.99 0.30 -4.58 117.46 111.19 2pvy n PHE 676 Ca -0.07 0.11 0.05 0.00 -0.00 0.00 0.00 57.45 57.54 2pvy n PHE 676 Cb 0.07 -1.06 -0.00 0.00 -1.00 0.00 0.00 39.48 37.49 2pvy n PHE 676 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2pvy n ASP 677 N -2.89 1.20 -1.82 4.37 8.00 0.50 -5.00 116.55 120.91 2pvy n ASP 677 Ca -0.29 -1.10 -0.20 0.00 0.71 0.00 0.00 54.79 53.91 2pvy n ASP 677 Cb 1.11 0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 42.66 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 -0.30 -1.45 -4.40 -1.24 1.74 0.86 -4.91 116.66 106.96 2pvy n ARG 678 Ca 0.04 1.08 -0.35 0.00 -0.77 0.00 0.00 57.85 57.86 2pvy n ARG 678 Cb 0.22 -5.53 -0.10 0.00 -1.02 0.00 0.00 32.46 26.04 2pvy n ARG 678 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2pvy s VAL 679 N -2.84 4.22 -0.07 1.55 -7.23 -0.87 -0.40 120.40 114.77 2pvy s VAL 679 Ca 0.00 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2pvy s VAL 679 Cb 0.00 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2pvy s VAL 679 CO 0.00 0.60 -0.03 -0.47 -0.31 0.00 0.00 175.10 174.89 2pvy s TYR 680 N -0.79 0.83 0.39 2.82 5.04 0.25 -2.48 117.35 123.42 2pvy s TYR 680 Ca 0.12 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.52 2pvy s TYR 680 Cb -0.11 -0.84 -0.03 0.00 0.35 0.00 0.00 41.96 41.33 2pvy s TYR 680 CO 0.02 -0.32 0.15 0.95 -1.34 0.00 0.00 175.55 175.01 2pvy s THR 681 N 1.62 0.51 0.43 4.34 -4.23 -1.26 -0.73 115.64 116.32 2pvy s THR 681 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2pvy s THR 681 Cb -0.13 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.67 2pvy s THR 681 CO -0.04 0.00 1.97 0.45 -0.54 0.00 0.00 174.62 176.46 2pvy h HIS 682 N 1.85 0.43 0.00 3.99 3.86 -1.94 0.31 115.15 123.66 2pvy h HIS 682 Ca -0.34 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2pvy h HIS 682 Cb 1.27 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2pvy h HIS 682 CO 1.50 0.20 0.00 1.96 0.86 0.00 0.00 177.93 182.45 2pvy h GLN 683 N 0.40 0.00 -0.05 2.45 1.08 -1.94 0.00 115.11 117.06 2pvy h GLN 683 Ca 0.29 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.26 2pvy h GLN 683 Cb 0.59 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2pvy h GLN 683 CO -0.08 0.00 -0.88 0.77 -0.95 0.00 0.00 178.83 177.69 2pvy h SER 684 N 0.00 0.69 -0.22 1.46 0.02 -0.76 -2.49 113.55 112.25 2pvy h SER 684 Ca 0.00 -0.51 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 2pvy h SER 684 Cb 0.34 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2pvy h SER 684 CO 0.00 1.30 -0.13 0.44 -1.14 0.00 0.00 176.83 177.30 2pvy h ASP 685 N 0.34 0.60 -0.66 3.07 3.45 -0.84 -2.22 116.42 120.17 2pvy h ASP 685 Ca -0.07 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 2pvy h ASP 685 Cb 1.50 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 40.08 2pvy h ASP 685 CO 0.16 0.75 0.39 0.58 -1.57 0.00 0.00 179.24 179.56 2pvy h VAL 686 N 0.56 1.19 -0.07 -1.35 2.07 -0.95 0.15 116.25 117.85 2pvy h VAL 686 Ca 0.10 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2pvy h VAL 686 Cb 0.55 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2pvy h VAL 686 CO 0.03 0.20 0.03 -0.25 0.02 0.00 0.00 177.57 177.61 2pvy h TRP 687 N 0.92 0.11 -0.91 1.57 2.91 -0.97 -2.00 115.95 117.59 2pvy h TRP 687 Ca 0.24 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.31 2pvy h TRP 687 Cb -0.02 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.54 2pvy h TRP 687 CO 0.00 0.20 0.59 0.77 -1.03 0.00 0.00 178.44 178.98 2pvy h SER 688 N -0.01 0.93 -0.44 2.65 0.02 -0.96 -0.01 113.55 115.73 2pvy h SER 688 Ca 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2pvy h SER 688 Cb 0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2pvy h SER 688 CO -0.00 0.61 0.27 0.15 -1.14 0.00 0.00 176.83 176.71 2pvy h PHE 689 N 1.06 0.60 -0.55 3.45 3.57 -0.21 -0.08 116.94 124.78 2pvy h PHE 689 Ca 0.39 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2pvy h PHE 689 Cb 0.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2pvy h PHE 689 CO -0.00 0.41 0.22 0.78 -2.23 0.00 0.00 178.31 177.48 2pvy h GLY 690 N 0.68 0.88 1.31 2.40 0.00 -0.28 -0.12 103.07 107.93 2pvy h GLY 690 Ca 0.17 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2pvy h GLY 690 CO -0.03 0.45 -0.09 -2.08 0.00 0.00 0.00 176.54 174.79 2pvy h VAL 691 N 0.74 1.26 -0.73 4.60 2.07 -0.98 -2.28 116.25 120.93 2pvy h VAL 691 Ca 0.18 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2pvy h VAL 691 Cb 0.20 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2pvy h VAL 691 CO -0.01 0.40 0.45 0.25 0.02 0.00 0.00 177.57 178.67 2pvy h LEU 692 N 0.74 0.87 -0.83 2.57 5.85 -0.55 -1.25 115.31 122.71 2pvy h LEU 692 Ca 0.13 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2pvy h LEU 692 Cb 0.57 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2pvy h LEU 692 CO 0.04 0.67 0.53 0.24 -0.34 0.00 0.00 178.44 179.57 2pvy h MET 693 N 0.99 0.99 -0.39 1.25 2.86 -0.65 0.21 114.93 120.19 2pvy h MET 693 Ca 0.26 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2pvy h MET 693 Cb -0.05 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 2pvy h MET 693 CO -0.05 0.66 -0.01 2.35 1.06 0.00 0.00 176.91 180.92 2pvy h TRP 694 N 1.02 0.65 -0.35 -0.22 7.01 -0.82 -1.24 115.95 122.01 2pvy h TRP 694 Ca 0.34 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 61.20 2pvy h TRP 694 Cb 0.03 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2pvy h TRP 694 CO -0.03 0.63 0.00 0.93 -2.79 0.00 0.00 178.44 177.19 2pvy h GLU 695 N 0.59 0.62 0.20 2.65 5.08 -0.05 -2.24 114.58 121.42 2pvy h GLU 695 Ca 0.12 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2pvy h GLU 695 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2pvy h GLU 695 CO 0.01 0.73 -0.10 0.82 -1.00 0.00 0.00 179.01 179.47 2pvy h ILE 696 N 0.43 0.78 0.00 3.13 2.04 -0.58 0.44 117.51 123.75 2pvy h ILE 696 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2pvy h ILE 696 Cb 0.45 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2pvy h ILE 696 CO 0.02 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.66 2pvy n PHE 697 N -5.22 0.00 -0.11 1.37 3.72 -0.51 -1.15 117.46 115.57 2pvy n PHE 697 Ca -0.09 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.40 2pvy n PHE 697 Cb 0.14 -0.29 0.22 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.29 0.83 -3.77 4.37 -2.24 -0.85 -4.76 114.28 106.58 2pvy n THR 698 Ca 0.11 -0.91 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 2pvy n THR 698 Cb 0.19 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.14 -2.88 0.00 3.22 4.77 -0.30 -2.98 117.00 119.97 2pvy n LEU 699 Ca 0.18 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2pvy n LEU 699 Cb 0.52 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 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 -1.67 0.80 3.71 -0.72 0.00 0.15 -3.26 105.19 104.19 2pvy n GLY 700 Ca -0.29 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.39 1.62 -0.23 -0.02 0.00 -1.16 -4.93 107.32 100.22 2pvy s GLY 701 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 2pvy s GLY 701 CO 0.00 0.45 0.22 -1.35 0.00 0.00 0.00 173.10 172.43 2pvy s SER 702 N -3.36 6.21 0.56 1.64 1.04 -1.26 -4.74 113.70 113.80 2pvy s SER 702 Ca 0.64 0.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.11 2pvy s SER 702 Cb -0.18 -2.14 -0.07 0.00 0.10 0.00 0.00 66.02 63.72 2pvy s SER 702 CO 0.57 0.04 0.75 -0.81 0.98 0.00 0.00 173.24 174.77 2pvy n PRO 703 N 4.28 0.75 -3.87 4.02 -0.04 -1.26 -3.36 135.00 135.52 2pvy n PRO 703 Ca -0.13 0.29 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 2pvy n PRO 703 Cb 0.52 -1.91 0.03 0.00 -0.04 0.00 0.00 33.50 32.10 2pvy n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pvy n TYR 704 N -1.55 -1.67 -1.66 0.54 4.01 -1.26 -4.81 117.16 110.77 2pvy n TYR 704 Ca 0.12 0.30 -0.46 0.00 -0.16 0.00 0.00 57.90 57.71 2pvy n TYR 704 Cb 0.46 -3.17 -0.04 0.00 -0.31 0.00 0.00 39.34 36.29 2pvy n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2pvy n PRO 705 N -4.57 2.06 -0.98 -0.72 -0.04 -1.21 -1.85 135.00 127.70 2pvy n PRO 705 Ca -0.11 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2pvy n PRO 705 Cb 0.58 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2pvy n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pvy n GLY 706 N 3.06 0.51 3.18 0.55 0.00 -1.26 -4.99 105.19 106.24 2pvy n GLY 706 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.24 3.04 0.46 -0.61 1.01 -0.77 -5.10 121.20 117.00 2pvy s ILE 707 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 2pvy s ILE 707 Cb 0.00 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 2pvy s ILE 707 CO 0.00 -0.09 1.19 -2.16 0.00 0.00 0.00 174.94 173.88 2pvy s PRO 708 N 1.27 3.72 0.31 2.79 0.04 -1.26 -4.84 135.00 137.02 2pvy s PRO 708 Ca -0.05 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.90 2pvy s PRO 708 Cb -0.20 -2.41 0.81 0.00 0.04 0.00 0.00 34.50 32.74 2pvy s PRO 708 CO -0.01 -0.60 1.76 -0.39 0.04 0.00 0.00 177.00 177.80 2pvy h VAL 709 N 1.87 0.63 0.00 -0.36 -1.51 -1.98 0.13 116.25 115.03 2pvy h VAL 709 Ca -0.49 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2pvy h VAL 709 Cb 1.25 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2pvy h VAL 709 CO 0.60 0.12 0.00 1.05 -1.23 0.00 0.00 177.57 178.11 2pvy h GLU 710 N 0.68 0.00 0.00 5.19 9.09 -2.04 -1.67 114.58 125.83 2pvy h GLU 710 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 2pvy h GLU 710 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 2pvy h GLU 710 CO -0.42 0.00 -1.61 0.39 0.05 0.00 0.00 179.01 177.42 2pvy n GLU 711 N -2.98 0.43 -0.13 1.06 1.02 0.40 -4.41 120.64 116.03 2pvy n GLU 711 Ca -0.02 -0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 56.93 2pvy n GLU 711 Cb 0.12 -1.51 0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.85 -0.41 -4.62 5.85 -0.74 -3.13 115.31 113.11 2pvy h LEU 712 Ca 0.00 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2pvy h LEU 712 Cb 0.80 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 2pvy h LEU 712 CO 0.00 0.95 -0.50 -0.26 -0.34 0.00 0.00 178.44 178.29 2pvy h PHE 713 N 0.79 -1.54 -0.14 1.25 0.05 -1.76 0.25 116.94 115.83 2pvy h PHE 713 Ca 0.14 0.08 0.03 0.00 3.82 0.00 0.00 57.97 62.03 2pvy h PHE 713 Cb 0.57 0.73 -0.03 0.00 2.00 0.00 0.00 35.95 39.22 2pvy h PHE 713 CO 0.03 -0.43 -0.03 -0.22 -0.18 0.00 0.00 178.31 177.48 2pvy h LYS 714 N -0.32 0.01 -0.98 1.51 3.64 -1.85 -2.21 116.57 116.36 2pvy h LYS 714 Ca 0.07 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2pvy h LYS 714 Cb 0.52 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 2pvy h LYS 714 CO -0.56 0.00 0.61 -0.07 -2.27 0.00 0.00 179.45 177.16 2pvy h LEU 715 N 0.01 0.88 -0.77 5.20 3.38 -1.36 -0.82 115.31 121.83 2pvy h LEU 715 Ca 0.07 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2pvy h LEU 715 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pvy h LEU 715 CO -0.14 0.46 -0.35 -0.07 0.09 0.00 0.00 178.44 178.43 2pvy h LEU 716 N 0.95 0.55 -1.72 1.67 3.38 -0.53 0.16 115.31 119.77 2pvy h LEU 716 Ca 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2pvy h LEU 716 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2pvy h LEU 716 CO -0.28 0.86 -0.18 0.11 0.09 0.00 0.00 178.44 179.04 2pvy h LYS 717 N 0.45 0.00 -0.69 1.13 1.79 -0.60 -1.21 116.57 117.45 2pvy h LYS 717 Ca 0.05 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 2pvy h LYS 717 Cb 0.82 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.42 2pvy h LYS 717 CO 0.07 0.18 0.10 0.39 -1.08 0.00 0.00 179.45 179.10 2pvy n GLU 718 N -4.02 4.14 -1.59 3.15 1.02 -0.57 -4.93 120.64 117.84 2pvy n GLU 718 Ca -0.02 -2.83 -0.13 0.00 -0.02 0.00 0.00 57.16 54.16 2pvy n GLU 718 Cb 0.26 -2.18 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2pvy n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pvy n GLY 719 N 0.31 0.99 3.77 0.62 0.00 -0.46 -4.98 105.19 105.44 2pvy n GLY 719 Ca 0.30 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2pvy n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pvy s HIS 720 N -2.51 2.55 -0.02 1.61 5.04 0.51 -4.98 115.29 117.49 2pvy s HIS 720 Ca 0.00 1.22 -0.03 0.00 -1.54 0.00 0.00 55.06 54.72 2pvy s HIS 720 Cb 0.00 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.66 2pvy s HIS 720 CO 0.00 -2.91 0.06 1.03 -2.34 0.00 0.00 174.74 170.58 2pvy s ARG 721 N -2.25 0.16 0.37 2.88 1.81 -1.26 -4.74 118.95 115.92 2pvy s ARG 721 Ca 0.56 -0.06 -0.27 0.00 -1.72 0.00 0.00 55.73 54.24 2pvy s ARG 721 Cb -0.45 0.07 -0.10 0.00 -0.45 0.00 0.00 34.95 34.02 2pvy s ARG 721 CO 0.59 -0.03 1.30 -1.64 -0.68 0.00 0.00 175.30 174.85 2pvy s MET 722 N -0.33 4.16 0.88 3.54 -1.94 -1.26 -5.01 119.30 119.34 2pvy s MET 722 Ca -0.04 2.18 -0.14 0.00 -1.71 0.00 0.00 55.69 55.99 2pvy s MET 722 Cb -0.03 -2.91 0.13 0.00 2.01 0.00 0.00 34.83 34.04 2pvy s MET 722 CO 0.00 -0.34 1.23 0.16 -0.01 0.00 0.00 175.02 176.06 2pvy s ASP 723 N -0.62 3.88 0.25 3.03 1.47 -1.26 -4.98 116.67 118.44 2pvy s ASP 723 Ca 0.53 0.59 -0.31 0.00 1.18 0.00 0.00 52.55 54.55 2pvy s ASP 723 Cb -0.39 -0.92 -0.11 0.00 -0.34 0.00 0.00 42.92 41.16 2pvy s ASP 723 CO 0.51 -2.29 1.61 -0.75 0.68 0.00 0.00 175.17 174.93 2pvy s LYS 724 N -5.68 4.15 0.33 2.11 2.20 -1.26 -4.96 119.74 116.63 2pvy s LYS 724 Ca 0.67 2.53 -0.28 0.00 -0.36 0.00 0.00 55.97 58.53 2pvy s LYS 724 Cb -0.08 -3.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.08 2pvy s LYS 724 CO 0.51 -0.64 1.21 -2.14 -0.36 0.00 0.00 175.35 173.93 2pvy s PRO 725 N 0.15 4.36 0.58 4.03 0.02 -1.26 -4.95 135.00 137.92 2pvy s PRO 725 Ca 0.67 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 63.48 2pvy s PRO 725 Cb -0.47 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 2pvy s PRO 725 CO 0.41 -0.11 1.31 0.00 -0.33 0.00 0.00 177.00 178.29 2pvy n ALA 726 N 0.72 1.37 -3.23 -1.55 0.00 -1.26 -3.13 120.51 113.43 2pvy n ALA 726 Ca 0.01 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2pvy n ALA 726 Cb 0.44 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.60 2pvy n ALA 726 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pvy n ASN 727 N -1.21 -6.90 -3.68 0.00 5.15 -1.26 -4.89 115.26 102.47 2pvy n ASN 727 Ca 0.12 -0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 53.47 2pvy n ASN 727 Cb 0.46 -5.06 -0.09 0.00 -0.53 0.00 0.00 39.78 34.55 2pvy n ASN 727 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pvy s THR 729 N 1.22 3.15 0.43 0.00 -4.23 -1.26 -4.89 115.64 110.07 2pvy s THR 729 Ca -0.08 0.71 0.09 0.00 -1.18 0.00 0.00 61.69 61.23 2pvy s THR 729 Cb -0.06 -3.28 0.26 0.00 1.34 0.00 0.00 72.50 70.76 2pvy s THR 729 CO -0.12 -0.16 2.08 0.78 -0.54 0.00 0.00 174.62 176.65 2pvy h ASN 730 N 1.12 0.36 -0.40 3.99 2.35 -1.99 -1.80 115.58 119.21 2pvy h ASN 730 Ca -0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2pvy h ASN 730 Cb 1.26 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2pvy h ASN 730 CO 0.57 0.27 0.27 -0.08 -1.65 0.00 0.00 177.43 176.80 2pvy h GLU 731 N 0.42 0.53 -0.18 0.81 4.81 -1.99 0.44 114.58 119.43 2pvy h GLU 731 Ca 0.11 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 2pvy h GLU 731 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2pvy h GLU 731 CO -0.02 0.36 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.08 2pvy h LEU 732 N 0.55 0.49 -0.60 1.64 3.38 -1.75 -2.23 115.31 116.79 2pvy h LEU 732 Ca 0.15 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2pvy h LEU 732 Cb -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2pvy h LEU 732 CO -0.03 0.88 0.10 0.22 0.09 0.00 0.00 178.44 179.70 2pvy h TYR 733 N 0.37 1.06 -0.19 1.13 3.20 -1.00 -1.94 116.97 119.60 2pvy h TYR 733 Ca 0.02 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 2pvy h TYR 733 Cb 0.95 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2pvy h TYR 733 CO 0.03 0.92 -0.06 0.52 -1.64 0.00 0.00 178.16 177.93 2pvy h MET 734 N 0.90 0.29 -0.62 1.82 2.86 -0.74 -0.51 114.93 118.92 2pvy h MET 734 Ca 0.18 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2pvy h MET 734 Cb 0.43 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2pvy h MET 734 CO 0.01 0.37 0.19 1.98 1.06 0.00 0.00 176.91 180.52 2pvy h MET 735 N 0.28 0.97 -0.23 1.72 1.85 -0.76 -0.45 114.93 118.32 2pvy h MET 735 Ca 0.06 -0.21 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 2pvy h MET 735 Cb 0.29 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 2pvy h MET 735 CO 0.01 0.86 0.13 0.52 -0.40 0.00 0.00 176.91 178.04 2pvy h MET 736 N 0.90 0.31 -0.68 0.39 2.07 -0.54 -1.93 114.93 115.44 2pvy h MET 736 Ca 0.20 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 2pvy h MET 736 Cb 0.30 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 2pvy h MET 736 CO -0.01 0.27 0.45 0.00 1.07 0.00 0.00 176.91 178.69 2pvy h ARG 737 N 0.28 0.91 -0.63 1.72 2.47 -0.86 -0.38 114.38 117.89 2pvy h ARG 737 Ca 0.08 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 2pvy h ARG 737 Cb 0.04 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 2pvy h ARG 737 CO -0.01 0.61 0.15 -0.44 0.56 0.00 0.00 179.97 180.83 2pvy h ASP 738 N 0.93 0.93 0.37 7.04 3.32 -0.72 -1.36 116.42 126.93 2pvy h ASP 738 Ca 0.25 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2pvy h ASP 738 Cb -0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 2pvy h ASP 738 CO -0.05 0.90 -0.19 0.00 -1.72 0.00 0.00 179.24 178.18 2pvy n TRP 740 N -3.83 3.03 -2.36 0.00 8.01 -0.52 -3.97 117.44 117.80 2pvy n TRP 740 Ca -0.02 -2.15 -0.41 0.00 -1.31 0.00 0.00 57.50 53.62 2pvy n TRP 740 Cb 0.28 -1.05 -0.03 0.00 -2.01 0.00 0.00 31.31 28.50 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 -3.44 3.41 0.41 -5.99 2.46 -0.97 -4.89 115.29 106.28 2pvy s HIS 741 Ca 0.58 1.51 0.11 0.00 0.47 0.00 0.00 55.06 57.74 2pvy s HIS 741 Cb 0.48 -3.43 0.93 0.00 -0.13 0.00 0.00 32.58 30.44 2pvy s HIS 741 CO 0.07 -1.11 1.96 0.00 -2.47 0.00 0.00 174.74 173.19 2pvy h ALA 742 N 4.42 1.91 -2.37 1.58 0.00 -1.92 -3.38 119.26 119.50 2pvy h ALA 742 Ca -0.46 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 2pvy h ALA 742 Cb 1.21 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 2pvy h ALA 742 CO 0.70 -0.05 0.06 0.08 0.00 0.00 0.00 179.25 180.04 2pvy s VAL 743 N -5.49 4.94 0.17 0.00 1.01 -1.26 -4.92 120.40 114.85 2pvy s VAL 743 Ca -0.08 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2pvy s VAL 743 Cb 0.20 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2pvy s VAL 743 CO 0.76 -0.27 1.59 -0.65 0.00 0.00 0.00 175.10 176.53 2pvy h PRO 744 N 8.45 -0.22 0.00 2.72 0.11 -1.94 -0.00 132.00 141.12 2pvy h PRO 744 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2pvy h PRO 744 Cb 1.12 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pvy h PRO 744 CO 0.81 -0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.11 2pvy h SER 745 N -0.23 0.00 0.24 -2.05 4.64 -1.94 -1.15 113.55 113.05 2pvy h SER 745 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2pvy h SER 745 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2pvy h SER 745 CO -0.59 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.20 2pvy n GLN 746 N -2.52 0.91 -3.05 4.77 6.02 -0.02 -4.85 117.38 118.63 2pvy n GLN 746 Ca -0.01 -0.46 -0.30 0.00 -0.01 0.00 0.00 57.00 56.22 2pvy n GLN 746 Cb 0.12 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.41 3.76 0.89 -1.09 0.52 -0.44 -4.94 118.95 115.25 2pvy s ARG 747 Ca 0.28 0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 2pvy s ARG 747 Cb 0.20 -2.48 0.13 0.00 0.52 0.00 0.00 34.95 33.31 2pvy s ARG 747 CO 0.47 0.07 1.10 -1.25 0.02 0.00 0.00 175.30 175.72 2pvy s PRO 748 N -3.62 1.25 0.48 3.54 0.04 -1.26 -5.02 135.00 130.41 2pvy s PRO 748 Ca 0.49 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.69 2pvy s PRO 748 Cb -0.10 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2pvy s PRO 748 CO 0.29 -2.34 0.69 0.95 0.04 0.00 0.00 177.00 176.63 2pvy s THR 749 N -2.79 3.47 0.38 1.26 -4.23 -1.26 -4.93 115.64 107.54 2pvy s THR 749 Ca 0.64 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.81 2pvy s THR 749 Cb -0.20 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.66 2pvy s THR 749 CO 0.58 -0.18 2.05 -0.26 -0.54 0.00 0.00 174.62 176.26 2pvy h PHE 750 N 0.32 0.00 -0.49 3.99 0.04 -1.94 -1.24 116.94 117.62 2pvy h PHE 750 Ca -0.44 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.24 2pvy h PHE 750 Cb 1.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 2pvy h PHE 750 CO 0.42 0.13 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.00 2pvy h LYS 751 N 0.00 0.88 -0.09 1.51 3.64 -1.92 -1.31 116.57 119.27 2pvy h LYS 751 Ca -0.00 -0.30 -0.18 0.00 -1.27 0.00 0.00 60.65 58.91 2pvy h LYS 751 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2pvy h LYS 751 CO 0.02 0.93 -0.69 1.96 -2.27 0.00 0.00 179.45 179.41 2pvy h GLN 752 N 0.74 0.41 -0.52 1.90 4.20 -1.78 -2.58 115.11 117.48 2pvy h GLN 752 Ca 0.13 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 2pvy h GLN 752 Cb 0.56 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2pvy h GLN 752 CO 0.03 0.95 0.23 -0.07 -0.67 0.00 0.00 178.83 179.30 2pvy h LEU 753 N 0.29 0.69 -0.25 1.46 3.38 -1.06 -0.27 115.31 119.54 2pvy h LEU 753 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2pvy h LEU 753 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2pvy h LEU 753 CO 0.12 0.64 0.14 0.58 0.09 0.00 0.00 178.44 180.01 2pvy h VAL 754 N 0.69 1.12 -0.31 1.22 2.07 -1.21 0.47 116.25 120.31 2pvy h VAL 754 Ca 0.18 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2pvy h VAL 754 Cb 0.15 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2pvy h VAL 754 CO -0.02 0.12 0.12 -0.33 0.02 0.00 0.00 177.57 177.49 2pvy h GLU 755 N 0.29 0.26 -0.23 1.57 5.08 -1.17 0.45 114.58 120.83 2pvy h GLU 755 Ca 0.09 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2pvy h GLU 755 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2pvy h GLU 755 CO -0.01 0.17 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.65 2pvy h ASP 756 N 0.27 0.48 -0.55 1.42 3.32 -0.91 -2.86 116.42 117.59 2pvy h ASP 756 Ca 0.13 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2pvy h ASP 756 Cb 0.08 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2pvy h ASP 756 CO -0.12 0.76 0.29 -0.07 -1.72 0.00 0.00 179.24 178.37 2pvy h LEU 757 N 0.20 0.73 -0.82 1.55 3.38 -0.74 -0.46 115.31 119.15 2pvy h LEU 757 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2pvy h LEU 757 Cb 0.56 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2pvy h LEU 757 CO 0.03 0.62 0.43 -0.78 0.09 0.00 0.00 178.44 178.82 2pvy h ASP 758 N 0.82 1.04 -0.02 -0.43 3.58 -0.82 0.22 116.42 120.80 2pvy h ASP 758 Ca 0.20 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2pvy h ASP 758 Cb 0.07 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2pvy h ASP 758 CO -0.03 0.85 -0.00 -0.09 -2.88 0.00 0.00 179.24 177.09 2pvy h ARG 759 N 1.14 0.03 -0.99 0.28 2.43 -1.12 0.87 114.38 117.02 2pvy h ARG 759 Ca 0.28 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2pvy h ARG 759 Cb 0.06 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2pvy h ARG 759 CO -0.04 0.33 0.65 0.82 -1.51 0.00 0.00 179.97 180.22 2pvy h ILE 760 N -0.28 1.21 0.03 1.20 2.04 -0.86 -0.42 117.51 120.44 2pvy h ILE 760 Ca 0.00 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 2pvy h ILE 760 Cb 0.32 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2pvy h ILE 760 CO 0.00 0.24 -0.02 0.25 0.00 0.00 0.00 178.15 178.62 2pvy h LEU 761 N 1.29 -0.04 -0.56 1.44 5.85 -0.46 -2.88 115.31 119.95 2pvy h LEU 761 Ca 0.38 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2pvy h LEU 761 Cb -0.07 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.87 2pvy h LEU 761 CO -0.10 0.27 -0.05 0.74 -0.34 0.00 0.00 178.44 178.96 2pvy h THR 762 N -0.34 0.51 0.00 1.05 2.02 -0.24 -3.30 112.91 112.61 2pvy h THR 762 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2pvy h THR 762 Cb 0.32 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2pvy h THR 762 CO 0.01 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.09 2pvy n LEU 763 N -5.30 0.00 0.00 2.58 4.77 -0.22 -5.09 117.00 113.74 2pvy n LEU 763 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2pvy n LEU 763 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2pvy n LEU 763 CO 0.11 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.58