#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvy n LEU 468 N 0.00 0.00 -4.74 4.31 0.00 -1.26 -5.13 117.00 110.19 2pvy n LEU 468 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2pvy n LEU 468 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 2pvy n LEU 468 CO 0.00 0.00 1.02 -0.81 0.00 0.00 0.00 177.39 177.60 2pvy n PRO 469 N 0.00 2.40 -1.74 1.96 -0.04 -1.26 -4.91 135.00 131.41 2pvy n PRO 469 Ca 0.00 0.84 -0.34 0.00 -0.04 0.00 0.00 63.50 63.96 2pvy n PRO 469 Cb 0.00 -2.50 0.05 0.00 -0.04 0.00 0.00 33.50 31.02 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 -1.96 2.68 -0.44 0.54 1.03 -1.26 -5.03 118.70 114.27 2pvy s GLU 470 Ca 0.54 1.55 0.04 0.00 0.03 0.00 0.00 54.97 57.14 2pvy s GLU 470 Cb -0.52 -1.92 0.17 0.00 -0.80 0.00 0.00 34.13 31.05 2pvy s GLU 470 CO 0.63 -1.37 0.34 0.34 -1.33 0.00 0.00 175.26 173.87 2pvy s ASP 471 N -2.26 1.99 0.45 0.83 3.68 -1.26 -5.01 116.67 115.10 2pvy s ASP 471 Ca 0.70 -3.05 0.34 0.00 2.13 0.00 0.00 52.55 52.67 2pvy s ASP 471 Cb -0.24 -0.57 1.50 0.00 -1.45 0.00 0.00 42.92 42.16 2pvy s ASP 471 CO 0.40 -0.18 1.59 -0.65 0.13 0.00 0.00 175.17 176.46 2pvy h PRO 472 N 5.78 0.02 -0.91 4.34 0.11 -1.95 0.59 132.00 139.98 2pvy h PRO 472 Ca 0.23 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.47 2pvy h PRO 472 Cb 0.90 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 2pvy h PRO 472 CO 0.40 0.01 0.58 -0.22 -0.21 0.00 0.00 178.00 178.57 2pvy h LYS 473 N 0.02 0.74 0.00 1.05 3.64 -2.03 -3.19 116.57 116.81 2pvy h LYS 473 Ca 0.87 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.21 2pvy h LYS 473 Cb 2.86 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 2pvy h LYS 473 CO -0.42 0.49 -0.72 0.91 -2.27 0.00 0.00 179.45 177.44 2pvy n TRP 474 N -4.57 0.00 -1.72 1.91 7.02 0.15 -5.02 117.44 115.20 2pvy n TRP 474 Ca 0.18 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.24 2pvy n TRP 474 Cb 0.43 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 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 -2.04 4.13 -0.09 -0.99 2.56 -0.87 -1.29 118.70 120.10 2pvy s GLU 475 Ca 0.01 2.60 0.04 0.00 0.00 0.00 0.00 54.97 57.62 2pvy s GLU 475 Cb 0.06 -3.26 -0.01 0.00 2.00 0.00 0.00 34.13 32.92 2pvy s GLU 475 CO 0.34 -0.78 -0.22 0.12 -0.56 0.00 0.00 175.26 174.15 2pvy s PHE 476 N 1.74 2.58 0.18 5.30 5.36 0.25 -4.82 117.98 128.55 2pvy s PHE 476 Ca 0.77 -0.90 -0.32 0.00 -0.96 0.00 0.00 56.93 55.52 2pvy s PHE 476 Cb -0.48 -1.71 -0.11 0.00 -0.34 0.00 0.00 43.02 40.38 2pvy s PHE 476 CO 0.34 -0.33 1.65 -1.25 -1.46 0.00 0.00 175.22 174.16 2pvy s PRO 477 N 0.21 4.17 0.41 10.12 0.04 -1.26 -4.34 135.00 144.35 2pvy s PRO 477 Ca -0.14 2.48 0.07 0.00 0.04 0.00 0.00 61.00 63.45 2pvy s PRO 477 Cb -0.17 -3.16 0.85 0.00 0.04 0.00 0.00 34.50 32.06 2pvy s PRO 477 CO 0.07 -0.69 2.05 0.00 0.04 0.00 0.00 177.00 178.47 2pvy h ARG 478 N 6.96 0.52 0.00 4.56 3.08 -1.96 -2.10 114.38 125.44 2pvy h ARG 478 Ca -0.43 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pvy h ARG 478 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2pvy h ARG 478 CO 0.94 0.36 0.00 0.38 -1.07 0.00 0.00 179.97 180.58 2pvy h ASP 479 N 0.53 0.00 0.02 7.04 2.03 -2.03 -2.06 116.42 121.94 2pvy h ASP 479 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2pvy h ASP 479 Cb -0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2pvy h ASP 479 CO -0.03 0.00 -0.07 0.29 -1.03 0.00 0.00 179.24 178.40 2pvy n LYS 480 N -2.41 1.70 -4.59 4.15 4.76 -0.79 -4.87 118.16 116.12 2pvy n LYS 480 Ca 0.01 -1.17 -0.33 0.00 -2.87 0.00 0.00 58.31 53.95 2pvy n LYS 480 Cb 0.22 -1.48 -0.14 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 -2.11 2.70 -0.29 -0.35 2.96 -0.78 -1.73 118.68 119.09 2pvy s LEU 481 Ca 0.32 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2pvy s LEU 481 Cb 0.20 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 45.32 2pvy s LEU 481 CO 0.37 0.12 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.62 2pvy s THR 482 N 0.61 2.92 0.40 3.68 2.01 -0.03 -4.98 115.64 120.24 2pvy s THR 482 Ca -0.07 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.30 2pvy s THR 482 Cb -0.15 -2.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.61 2pvy s THR 482 CO 0.03 -0.08 1.23 -0.76 -0.69 0.00 0.00 174.62 174.35 2pvy s LEU 483 N 1.25 4.21 0.00 4.42 1.43 -1.26 -1.59 118.68 127.13 2pvy s LEU 483 Ca -0.05 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2pvy s LEU 483 Cb -0.20 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2pvy s LEU 483 CO -0.02 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.42 2pvy n GLY 484 N 0.67 6.70 3.77 -3.19 0.00 0.17 -4.93 105.19 108.38 2pvy n GLY 484 Ca 0.04 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 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 0.49 3.94 0.53 1.61 1.02 -1.26 -4.32 119.74 121.75 2pvy s LYS 485 Ca 0.00 2.20 -0.20 0.00 0.02 0.00 0.00 55.97 57.99 2pvy s LYS 485 Cb 0.00 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2pvy s LYS 485 CO 0.00 -0.53 1.13 -1.25 -0.92 0.00 0.00 175.35 173.78 2pvy s PRO 486 N -2.25 3.45 -0.22 -1.68 0.04 -1.26 -1.09 135.00 131.98 2pvy s PRO 486 Ca 0.57 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 2pvy s PRO 486 Cb -0.39 -2.07 -0.19 0.00 0.04 0.00 0.00 34.50 31.89 2pvy s PRO 486 CO 0.50 -0.77 -0.05 1.28 0.04 0.00 0.00 177.00 178.00 2pvy n LEU 487 N -1.16 2.70 -4.90 -3.56 4.77 -1.26 -4.82 117.00 108.77 2pvy n LEU 487 Ca 0.11 0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 2pvy n LEU 487 Cb 0.51 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2pvy n LEU 487 CO 0.43 0.84 0.12 0.00 -1.33 0.00 0.00 177.39 177.44 2pvy s GLN 494 N -2.52 3.66 -0.10 3.23 -2.07 -0.73 -4.93 119.66 116.20 2pvy s GLN 494 Ca -0.31 -0.00 0.03 0.00 -1.82 0.00 0.00 55.36 53.26 2pvy s GLN 494 Cb 0.09 -2.75 -0.01 0.00 -1.09 0.00 0.00 33.01 29.26 2pvy s GLN 494 CO 0.64 0.36 -0.21 0.08 -1.32 0.00 0.00 175.29 174.84 2pvy s VAL 495 N -1.82 2.34 0.23 3.63 1.01 -1.26 -1.67 120.40 122.86 2pvy s VAL 495 Ca 0.43 -0.93 0.12 0.00 0.00 0.00 0.00 61.98 61.60 2pvy s VAL 495 Cb -0.11 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2pvy s VAL 495 CO 0.25 0.55 -0.22 0.68 0.00 0.00 0.00 175.10 176.37 2pvy s VAL 496 N 0.26 2.43 0.47 2.92 -7.23 -0.12 -4.57 120.40 114.57 2pvy s VAL 496 Ca -0.15 -2.21 -0.13 0.00 -1.81 0.00 0.00 61.98 57.69 2pvy s VAL 496 Cb -0.17 -2.22 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 2pvy s VAL 496 CO 0.07 -0.25 0.88 -0.32 -0.31 0.00 0.00 175.10 175.17 2pvy s MET 497 N -3.08 3.82 0.30 4.82 1.75 -0.25 0.03 119.30 126.69 2pvy s MET 497 Ca 0.25 0.67 -0.19 0.00 -1.25 0.00 0.00 55.69 55.18 2pvy s MET 497 Cb -0.07 -2.26 0.03 0.00 2.84 0.00 0.00 34.83 35.37 2pvy s MET 497 CO 0.12 -0.18 0.71 0.00 -0.65 0.00 0.00 175.02 175.02 2pvy s ALA 498 N -2.56 -0.96 -0.10 4.11 0.00 0.47 0.41 121.76 123.13 2pvy s ALA 498 Ca 0.54 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2pvy s ALA 498 Cb -0.10 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.87 2pvy s ALA 498 CO 0.34 -1.00 -0.17 -1.21 0.00 0.00 0.00 175.76 173.71 2pvy s GLU 499 N -3.54 2.40 -0.23 0.00 2.02 -0.62 -0.16 118.70 118.56 2pvy s GLU 499 Ca 0.14 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2pvy s GLU 499 Cb -0.05 -1.95 0.05 0.00 0.10 0.00 0.00 34.13 32.28 2pvy s GLU 499 CO 0.09 0.02 -0.09 0.00 0.02 0.00 0.00 175.26 175.30 2pvy s ALA 500 N 0.75 2.17 -0.17 5.21 0.00 -0.43 -0.85 121.76 128.43 2pvy s ALA 500 Ca -0.11 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 2pvy s ALA 500 Cb -0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2pvy s ALA 500 CO 0.02 -1.08 1.36 0.08 0.00 0.00 0.00 175.76 176.14 2pvy s VAL 501 N 1.30 4.10 -0.74 0.00 1.01 -0.70 -2.30 120.40 123.07 2pvy s VAL 501 Ca -0.05 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2pvy s VAL 501 Cb -0.18 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2pvy s VAL 501 CO -0.06 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2pvy n GLY 502 N 3.88 0.90 0.23 4.51 0.00 -0.06 -4.83 105.19 109.83 2pvy n GLY 502 Ca 0.15 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -3.52 -0.61 6.09 -1.77 -3.10 117.51 114.60 2pvy h ILE 503 Ca -0.14 0.00 -0.70 0.00 -1.37 0.00 0.00 64.86 62.65 2pvy h ILE 503 Cb 0.54 0.46 -0.31 0.00 0.47 0.00 0.00 36.82 37.97 2pvy h ILE 503 CO 0.21 0.00 -0.54 -0.62 -3.07 0.00 0.00 178.15 174.13 2pvy s ASP 504 N -3.87 5.34 0.54 2.19 -1.08 -1.26 -4.96 116.67 113.58 2pvy s ASP 504 Ca -0.02 -1.67 0.33 0.00 -0.52 0.00 0.00 52.55 50.67 2pvy s ASP 504 Cb 0.06 -1.87 1.50 0.00 -1.46 0.00 0.00 42.92 41.15 2pvy s ASP 504 CO 0.19 -0.49 1.85 0.07 0.52 0.00 0.00 175.17 177.31 2pvy h LYS 505 N 8.19 0.00 0.00 4.34 5.09 -1.93 1.41 116.57 133.67 2pvy h LYS 505 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.55 2pvy h LYS 505 Cb 1.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.39 2pvy h LYS 505 CO 0.69 0.00 0.00 0.38 -2.09 0.00 0.00 179.45 178.43 2pvy h ASP 506 N 0.00 0.00 -2.20 7.07 2.03 -1.93 -3.26 116.42 118.13 2pvy h ASP 506 Ca 0.46 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 56.17 2pvy h ASP 506 Cb 1.89 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.97 2pvy h ASP 506 CO -0.00 0.00 -0.61 2.29 -1.03 0.00 0.00 179.24 179.88 2pvy n LYS 507 N -2.70 2.63 0.00 4.15 -0.00 0.48 -5.02 118.16 117.70 2pvy n LYS 507 Ca 0.01 -4.68 0.00 0.00 -0.00 0.00 0.00 58.31 53.64 2pvy n LYS 507 Cb 0.28 -2.23 0.00 0.00 -0.00 0.00 0.00 35.03 33.08 2pvy n LYS 507 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2pvy n PRO 508 N 0.64 0.00 -0.13 -1.58 -0.02 -1.23 -1.62 135.00 131.05 2pvy n PRO 508 Ca 0.30 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2pvy n PRO 508 Cb 0.41 -0.49 0.14 0.00 -0.02 0.00 0.00 33.50 33.55 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 -0.66 1.60 -2.68 -0.52 4.01 -1.26 -3.12 118.16 115.54 2pvy n LYS 509 Ca 0.00 -0.94 -0.43 0.00 -0.51 0.00 0.00 58.31 56.44 2pvy n LYS 509 Cb 0.00 -1.22 -0.02 0.00 -0.51 0.00 0.00 35.03 33.28 2pvy n LYS 509 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2pvy s GLU 510 N -1.67 3.95 0.24 1.97 -1.05 -0.64 -4.72 118.70 116.78 2pvy s GLU 510 Ca 0.19 0.86 -0.28 0.00 -0.15 0.00 0.00 54.97 55.59 2pvy s GLU 510 Cb 0.10 -3.78 -0.09 0.00 -0.44 0.00 0.00 34.13 29.92 2pvy s GLU 510 CO 0.13 -0.99 0.89 0.00 0.95 0.00 0.00 175.26 176.24 2pvy s ALA 511 N 3.74 3.34 -0.01 -0.84 0.00 -1.26 -0.88 121.76 125.85 2pvy s ALA 511 Ca 0.44 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.92 2pvy s ALA 511 Cb -0.11 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2pvy s ALA 511 CO 0.19 0.23 -0.01 0.54 0.00 0.00 0.00 175.76 176.70 2pvy s VAL 512 N -1.28 0.17 0.13 0.00 0.11 -0.97 -4.94 120.40 113.62 2pvy s VAL 512 Ca 0.42 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.14 2pvy s VAL 512 Cb -0.23 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 2pvy s VAL 512 CO 0.28 0.09 1.24 -0.89 -3.33 0.00 0.00 175.10 172.49 2pvy s THR 513 N 0.38 3.66 0.24 5.04 2.01 -1.26 -1.31 115.64 124.39 2pvy s THR 513 Ca -0.04 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.29 2pvy s THR 513 Cb -0.06 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2pvy s THR 513 CO -0.01 0.15 0.22 1.33 -0.69 0.00 0.00 174.62 175.62 2pvy n VAL 514 N 3.28 0.00 -5.24 3.82 0.24 0.78 -4.45 118.33 116.76 2pvy n VAL 514 Ca 0.07 -1.70 -0.31 0.00 -2.04 0.00 0.00 64.34 60.36 2pvy n VAL 514 Cb 0.45 0.87 -0.17 0.00 -1.47 0.00 0.00 33.84 33.52 2pvy n VAL 514 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pvy s ALA 515 N -2.91 2.15 -0.17 2.33 0.00 -0.40 -0.40 121.76 122.36 2pvy s ALA 515 Ca 0.28 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2pvy s ALA 515 Cb 0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 2pvy s ALA 515 CO 0.20 0.37 -0.13 0.08 0.00 0.00 0.00 175.76 176.28 2pvy s VAL 516 N -0.00 2.82 -0.15 0.00 1.01 0.10 -0.73 120.40 123.46 2pvy s VAL 516 Ca -0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 2pvy s VAL 516 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2pvy s VAL 516 CO 0.05 0.50 0.16 -0.75 0.00 0.00 0.00 175.10 175.06 2pvy s LYS 517 N 0.90 3.80 0.33 2.72 2.20 0.01 -0.94 119.74 128.76 2pvy s LYS 517 Ca -0.03 -0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 55.38 2pvy s LYS 517 Cb -0.15 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2pvy s LYS 517 CO -0.01 0.56 0.52 0.00 -0.36 0.00 0.00 175.35 176.05 2pvy s MET 518 N -0.39 1.88 0.42 4.03 0.23 -0.67 -0.89 119.30 123.91 2pvy s MET 518 Ca 0.13 -1.61 -0.10 0.00 -1.03 0.00 0.00 55.69 53.07 2pvy s MET 518 Cb -0.12 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.59 2pvy s MET 518 CO 0.02 -0.79 0.78 -0.51 -2.03 0.00 0.00 175.02 172.49 2pvy s LEU 519 N -3.17 3.78 0.59 0.18 1.43 -1.26 -1.77 118.68 118.47 2pvy s LEU 519 Ca 0.27 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2pvy s LEU 519 Cb -0.01 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.21 2pvy s LEU 519 CO 0.17 -0.44 0.87 -0.54 0.23 0.00 0.00 176.35 176.64 2pvy s LYS 520 N -4.00 2.70 0.42 1.70 1.02 -1.26 -4.72 119.74 115.60 2pvy s LYS 520 Ca 0.51 -0.27 0.12 0.00 0.02 0.00 0.00 55.97 56.35 2pvy s LYS 520 Cb -0.10 -2.33 0.91 0.00 -0.52 0.00 0.00 37.83 35.79 2pvy s LYS 520 CO 0.34 -0.77 1.96 0.22 -0.92 0.00 0.00 175.35 176.18 2pvy h ASP 521 N -0.15 0.11 -0.87 2.83 -0.00 -2.05 -2.52 116.42 113.77 2pvy h ASP 521 Ca -0.45 -0.02 -0.46 0.00 -0.00 0.00 0.00 57.03 56.10 2pvy h ASP 521 Cb 1.28 -0.03 -0.27 0.00 -0.00 0.00 0.00 39.33 40.31 2pvy h ASP 521 CO 0.59 0.27 0.58 -0.90 -0.00 0.00 0.00 179.24 179.78 2pvy n ASP 522 N -4.31 3.80 -4.76 2.28 3.85 -1.26 -4.99 116.55 111.16 2pvy n ASP 522 Ca -0.02 -3.42 -0.36 0.00 -0.71 0.00 0.00 54.79 50.29 2pvy n ASP 522 Cb 0.25 -0.80 0.03 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 -2.90 2.56 0.54 2.12 0.00 -0.95 -5.05 121.76 118.08 2pvy s ALA 523 Ca 0.50 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.55 2pvy s ALA 523 Cb 0.42 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 20.16 2pvy s ALA 523 CO 0.09 -1.13 0.69 0.95 0.00 0.00 0.00 175.76 176.36 2pvy s THR 524 N -1.60 2.20 0.18 0.00 -4.23 -1.26 -4.98 115.64 105.95 2pvy s THR 524 Ca 0.77 -1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 2pvy s THR 524 Cb -0.30 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.34 2pvy s THR 524 CO 0.33 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 176.01 2pvy h GLU 525 N 0.35 1.06 -0.27 3.99 4.81 -2.00 -2.62 114.58 119.91 2pvy h GLU 525 Ca -0.33 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 2pvy h GLU 525 Cb 1.29 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2pvy h GLU 525 CO 0.44 0.96 -0.04 -0.22 -0.73 0.00 0.00 179.01 179.43 2pvy h LYS 526 N 0.98 0.41 -0.67 1.92 1.63 -1.98 -1.17 116.57 117.69 2pvy h LYS 526 Ca 0.20 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2pvy h LYS 526 Cb 0.40 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2pvy h LYS 526 CO 0.01 0.47 0.19 -0.44 -3.45 0.00 0.00 179.45 176.22 2pvy h ASP 527 N 0.39 0.99 -0.13 4.20 3.32 -1.85 -0.54 116.42 122.80 2pvy h ASP 527 Ca 0.09 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2pvy h ASP 527 Cb 0.32 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2pvy h ASP 527 CO 0.01 0.95 -0.07 0.25 -1.72 0.00 0.00 179.24 178.66 2pvy h LEU 528 N 0.98 0.30 -1.56 1.55 5.85 -1.23 -1.58 115.31 119.61 2pvy h LEU 528 Ca 0.21 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2pvy h LEU 528 Cb 0.33 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2pvy h LEU 528 CO -0.00 0.65 0.14 0.77 -0.34 0.00 0.00 178.44 179.66 2pvy h SER 529 N -0.06 0.38 -0.18 1.25 4.64 -1.10 -1.42 113.55 117.06 2pvy h SER 529 Ca 0.03 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2pvy h SER 529 Cb 0.54 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2pvy h SER 529 CO 0.02 0.34 -0.62 0.44 -0.87 0.00 0.00 176.83 176.14 2pvy h ASP 530 N 0.43 0.90 -0.59 4.97 3.32 -0.98 -1.49 116.42 122.98 2pvy h ASP 530 Ca 0.11 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 2pvy h ASP 530 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2pvy h ASP 530 CO -0.01 1.30 0.06 0.25 -1.72 0.00 0.00 179.24 179.12 2pvy h LEU 531 N 0.59 0.99 0.11 1.55 5.85 -0.68 0.22 115.31 123.94 2pvy h LEU 531 Ca -0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2pvy h LEU 531 Cb 1.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2pvy h LEU 531 CO 0.13 1.01 -0.05 0.58 -0.34 0.00 0.00 178.44 179.77 2pvy h VAL 532 N 0.96 1.01 -0.70 1.05 2.07 -1.25 -2.05 116.25 117.34 2pvy h VAL 532 Ca 0.18 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2pvy h VAL 532 Cb 0.47 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2pvy h VAL 532 CO 0.02 0.11 0.38 -1.28 0.02 0.00 0.00 177.57 176.81 2pvy h SER 533 N -0.34 0.54 -0.14 0.57 0.87 -1.05 -0.71 113.55 113.29 2pvy h SER 533 Ca -0.01 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2pvy h SER 533 Cb 0.28 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2pvy h SER 533 CO 0.02 0.33 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.49 2pvy h GLU 534 N 0.68 -0.09 0.00 2.24 4.81 -0.39 -0.48 114.58 121.36 2pvy h GLU 534 Ca 0.32 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 2pvy h GLU 534 Cb 0.25 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2pvy h GLU 534 CO -0.21 -0.06 -0.16 1.98 -0.73 0.00 0.00 179.01 179.82 2pvy h MET 535 N -0.09 -0.26 -0.99 1.92 4.05 -0.61 -2.18 114.93 116.77 2pvy h MET 535 Ca 0.09 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2pvy h MET 535 Cb 0.22 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 2pvy h MET 535 CO -0.20 -0.17 0.65 0.93 0.23 0.00 0.00 176.91 178.35 2pvy h GLU 536 N -0.27 1.29 -0.17 0.39 4.39 -0.85 -0.49 114.58 118.86 2pvy h GLU 536 Ca 0.05 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2pvy h GLU 536 Cb 0.34 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2pvy h GLU 536 CO -0.16 0.85 0.05 0.52 -1.16 0.00 0.00 179.01 179.11 2pvy h MET 537 N 1.33 0.12 -0.47 2.33 2.86 -0.83 -1.99 114.93 118.28 2pvy h MET 537 Ca 0.36 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 2pvy h MET 537 Cb -0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2pvy h MET 537 CO -0.08 0.08 0.23 0.52 1.06 0.00 0.00 176.91 178.72 2pvy h MET 538 N 0.13 0.65 0.00 1.72 2.86 -0.81 -0.58 114.93 118.89 2pvy h MET 538 Ca 0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pvy h MET 538 Cb 0.05 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2pvy h MET 538 CO -0.09 0.50 0.00 0.87 1.06 0.00 0.00 176.91 179.26 2pvy h LYS 539 N 0.66 0.00 -0.00 1.72 1.57 -0.35 -3.08 116.57 117.09 2pvy h LYS 539 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2pvy h LYS 539 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2pvy h LYS 539 CO -0.02 0.00 -0.16 0.00 -0.57 0.00 0.00 179.45 178.69 2pvy n MET 540 N -2.59 3.55 0.01 3.15 0.00 -0.29 -4.63 117.12 116.32 2pvy n MET 540 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 57.70 57.28 2pvy n MET 540 Cb 0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 33.22 32.47 2pvy n MET 540 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2pvy h ILE 541 N 0.36 1.32 0.00 3.17 2.04 -1.27 -3.50 117.51 119.63 2pvy h ILE 541 Ca 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2pvy h ILE 541 Cb 0.16 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2pvy h ILE 541 CO 0.00 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.39 2pvy n GLY 542 N 0.63 -3.40 3.79 5.37 0.00 -1.26 -4.95 105.19 105.37 2pvy n GLY 542 Ca -0.06 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.75 3.04 -0.22 1.61 1.02 -1.26 -4.96 119.74 118.22 2pvy s LYS 543 Ca 0.00 -0.55 -0.25 0.00 0.02 0.00 0.00 55.97 55.19 2pvy s LYS 543 Cb 0.00 -2.83 0.07 0.00 -0.52 0.00 0.00 37.83 34.54 2pvy s LYS 543 CO 0.00 0.62 0.68 -1.58 -0.92 0.00 0.00 175.35 174.15 2pvy s HIS 544 N -1.28 -0.73 0.59 3.18 2.46 -1.26 -5.05 115.29 113.19 2pvy s HIS 544 Ca 0.26 1.71 0.29 0.00 0.47 0.00 0.00 55.06 57.79 2pvy s HIS 544 Cb -0.12 0.28 1.66 0.00 -0.13 0.00 0.00 32.58 34.28 2pvy s HIS 544 CO 0.18 -0.41 2.10 -0.22 -2.47 0.00 0.00 174.74 173.92 2pvy h LYS 545 N 4.68 0.00 -0.56 2.88 3.64 -1.99 -2.40 116.57 122.82 2pvy h LYS 545 Ca -0.29 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.93 2pvy h LYS 545 Cb 1.16 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.88 2pvy h LYS 545 CO 0.13 0.00 0.15 0.09 -2.27 0.00 0.00 179.45 177.55 2pvy n ASN 546 N -3.78 4.13 -3.89 4.20 3.02 -1.26 -4.80 115.26 112.89 2pvy n ASN 546 Ca 0.02 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.08 2pvy n ASN 546 Cb 0.32 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 2pvy n ASN 546 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pvy s ILE 547 N -3.02 0.47 0.12 2.41 1.01 -0.90 -0.60 121.20 120.69 2pvy s ILE 547 Ca 0.50 -0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 2pvy s ILE 547 Cb 0.41 -0.50 -0.10 0.00 0.01 0.00 0.00 42.46 42.28 2pvy s ILE 547 CO 0.10 0.21 1.83 -0.63 0.00 0.00 0.00 174.94 176.44 2pvy s ILE 548 N 0.87 2.57 0.11 2.92 -1.09 0.08 -4.64 121.20 122.03 2pvy s ILE 548 Ca -0.11 0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 2pvy s ILE 548 Cb -0.14 -3.04 -0.06 0.00 -1.58 0.00 0.00 42.46 37.64 2pvy s ILE 548 CO 0.00 -0.00 0.41 0.54 -1.23 0.00 0.00 174.94 174.66 2pvy s ASN 549 N 2.76 6.59 0.14 3.58 4.22 -1.26 -4.93 114.94 126.05 2pvy s ASN 549 Ca 0.81 0.74 -0.30 0.00 -2.14 0.00 0.00 52.86 51.97 2pvy s ASN 549 Cb -0.46 -2.16 -0.07 0.00 1.28 0.00 0.00 41.25 39.85 2pvy s ASN 549 CO 0.36 0.11 0.95 -0.22 -2.04 0.00 0.00 177.10 176.27 2pvy s LEU 550 N -2.23 4.54 -0.13 3.54 2.96 -1.26 -1.65 118.68 124.45 2pvy s LEU 550 Ca 0.37 1.83 0.10 0.00 -0.22 0.00 0.00 54.13 56.21 2pvy s LEU 550 Cb -0.13 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.82 2pvy s LEU 550 CO 0.20 -0.00 0.02 0.18 -1.32 0.00 0.00 176.35 175.43 2pvy n LEU 551 N 2.44 0.40 0.00 -0.68 4.77 0.38 -4.92 117.00 119.38 2pvy n LEU 551 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pvy n LEU 551 Cb 0.49 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2pvy n LEU 551 CO 0.51 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2pvy n GLY 552 N 2.30 -1.41 3.56 -0.72 0.00 -0.98 -5.01 105.19 102.93 2pvy n GLY 552 Ca -0.21 -1.04 -0.14 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 -1.14 -1.86 -0.40 4.61 0.00 -0.41 -0.79 121.76 121.77 2pvy s ALA 553 Ca 0.00 1.49 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 2pvy s ALA 553 Cb 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.75 2pvy s ALA 553 CO 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 175.64 2pvy n THR 555 N 4.86 0.00 -4.11 0.00 -2.24 -1.26 -1.59 114.28 109.94 2pvy n THR 555 Ca -0.10 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 2pvy n THR 555 Cb 0.43 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.07 3.04 -0.80 -0.78 -1.52 -1.26 -4.76 119.66 111.51 2pvy s GLN 556 Ca 0.01 -0.50 -0.03 0.00 -1.95 0.00 0.00 55.36 52.88 2pvy s GLN 556 Cb 0.06 -2.84 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 2pvy s GLN 556 CO 0.34 0.64 0.61 -0.25 -0.25 0.00 0.00 175.29 176.38 2pvy n ASP 557 N 1.15 -4.92 0.00 5.90 8.00 -1.26 -4.87 116.55 120.55 2pvy n ASP 557 Ca -0.13 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2pvy n ASP 557 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 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 -1.54 1.17 3.72 0.44 0.00 -1.26 -5.11 105.19 102.62 2pvy n GLY 558 Ca -0.30 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.46 2.27 -0.02 1.61 0.04 -1.26 -4.91 135.00 131.27 2pvy s PRO 559 Ca 0.00 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2pvy s PRO 559 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2pvy s PRO 559 CO 0.00 -1.78 1.07 -1.17 0.04 0.00 0.00 177.00 175.17 2pvy s LEU 560 N -4.80 4.33 -0.19 -3.56 2.96 -1.26 -4.71 118.68 111.44 2pvy s LEU 560 Ca 0.79 1.74 0.01 0.00 -0.22 0.00 0.00 54.13 56.44 2pvy s LEU 560 Cb -0.34 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.82 2pvy s LEU 560 CO 0.43 -0.40 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.64 2pvy s TYR 561 N 1.45 2.36 -0.42 5.38 2.02 -0.62 -4.41 117.35 123.09 2pvy s TYR 561 Ca 0.53 -1.52 -0.17 0.00 -0.37 0.00 0.00 57.07 55.54 2pvy s TYR 561 Cb -0.23 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 2pvy s TYR 561 CO 0.25 -0.73 0.45 0.08 -1.57 0.00 0.00 175.55 174.03 2pvy s VAL 562 N 1.42 5.08 -0.29 0.71 1.01 -0.06 -1.43 120.40 126.83 2pvy s VAL 562 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2pvy s VAL 562 Cb -0.16 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2pvy s VAL 562 CO -0.09 -0.44 0.63 -0.63 0.00 0.00 0.00 175.10 174.57 2pvy s ILE 563 N 2.16 4.95 0.29 2.22 1.01 0.03 -0.81 121.20 131.06 2pvy s ILE 563 Ca 0.12 0.93 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2pvy s ILE 563 Cb -0.17 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2pvy s ILE 563 CO 0.14 -0.09 -0.01 0.68 0.00 0.00 0.00 174.94 175.65 2pvy s VAL 564 N 2.58 1.41 0.34 2.92 -7.23 0.09 -0.47 120.40 120.03 2pvy s VAL 564 Ca 0.25 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 2pvy s VAL 564 Cb -0.15 -2.55 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 2pvy s VAL 564 CO 0.11 -0.21 1.49 1.21 -0.31 0.00 0.00 175.10 177.39 2pvy n GLU 565 N -0.60 2.55 -3.05 4.82 2.13 -0.66 -1.28 120.64 124.57 2pvy n GLU 565 Ca -0.04 0.90 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 2pvy n GLU 565 Cb 0.65 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.69 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 -0.69 3.46 -0.31 4.31 5.04 -1.26 -4.53 117.35 123.38 2pvy s TYR 566 Ca 0.58 1.12 -0.12 0.00 -2.44 0.00 0.00 57.07 56.21 2pvy s TYR 566 Cb -0.51 -2.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.92 2pvy s TYR 566 CO 0.58 -0.08 0.23 0.00 -1.34 0.00 0.00 175.55 174.93 2pvy s ALA 567 N 1.52 3.52 -0.76 3.97 0.00 -1.26 -4.99 121.76 123.77 2pvy s ALA 567 Ca 0.34 -1.19 0.20 0.00 0.00 0.00 0.00 51.96 51.32 2pvy s ALA 567 Cb -0.17 -2.58 0.84 0.00 0.00 0.00 0.00 23.12 21.21 2pvy s ALA 567 CO 0.13 -0.74 1.63 -1.13 0.00 0.00 0.00 175.76 175.65 2pvy n SER 568 N 5.11 0.35 -0.36 0.00 3.41 -1.24 -3.53 113.62 117.36 2pvy n SER 568 Ca -0.13 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.09 2pvy n SER 568 Cb 0.51 -0.65 0.09 0.00 -0.26 0.00 0.00 64.21 63.90 2pvy n SER 568 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pvy n LYS 569 N -1.87 2.88 0.00 4.33 4.76 0.11 -4.87 118.16 123.50 2pvy n LYS 569 Ca 0.03 -1.87 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 2pvy n LYS 569 Cb 0.23 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 -0.03 -0.78 3.84 0.72 0.00 -1.21 -4.67 105.19 103.06 2pvy n GLY 570 Ca 0.07 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 6.84 0.28 1.61 2.20 -1.26 -0.15 114.94 120.46 2pvy s ASN 571 Ca 0.00 1.28 0.02 0.00 -0.94 0.00 0.00 52.86 53.21 2pvy s ASN 571 Cb 0.00 -2.37 0.61 0.00 -2.00 0.00 0.00 41.25 37.50 2pvy s ASN 571 CO 0.00 -0.11 1.77 0.25 -2.94 0.00 0.00 177.10 176.07 2pvy h LEU 572 N 2.68 0.64 0.11 3.54 5.85 -0.52 -1.25 115.31 126.36 2pvy h LEU 572 Ca -0.48 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2pvy h LEU 572 Cb 1.18 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2pvy h LEU 572 CO 0.66 0.25 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.71 2pvy h ARG 573 N 0.69 -0.38 -0.24 1.25 2.43 -1.79 -0.47 114.38 115.88 2pvy h ARG 573 Ca 0.51 0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.54 2pvy h ARG 573 Cb 0.74 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2pvy h ARG 573 CO -0.37 -0.25 -0.53 0.93 -1.51 0.00 0.00 179.97 178.23 2pvy h GLU 574 N -0.40 0.69 -0.93 0.20 5.08 -1.87 -1.80 114.58 115.55 2pvy h GLU 574 Ca 0.03 -0.43 0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2pvy h GLU 574 Cb 0.42 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 2pvy h GLU 574 CO -0.12 1.05 0.60 -0.92 -1.00 0.00 0.00 179.01 178.62 2pvy h TYR 575 N 0.54 0.81 0.16 4.33 3.20 -0.93 -1.34 116.97 123.74 2pvy h TYR 575 Ca 0.02 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 2pvy h TYR 575 Cb 1.10 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 39.14 2pvy h TYR 575 CO 0.06 0.24 -1.24 -0.07 -1.64 0.00 0.00 178.16 175.50 2pvy h LEU 576 N 0.64 0.54 -1.86 2.82 3.38 -0.91 -3.25 115.31 116.66 2pvy h LEU 576 Ca 0.49 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.56 2pvy h LEU 576 Cb 0.91 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2pvy h LEU 576 CO -0.25 1.57 0.12 0.03 0.09 0.00 0.00 178.44 180.01 2pvy h ARG 577 N -0.19 0.18 0.00 1.13 3.08 -0.79 0.67 114.38 118.47 2pvy h ARG 577 Ca -0.24 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 2pvy h ARG 577 Cb 1.84 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.85 2pvy h ARG 577 CO 0.15 0.12 -0.07 0.00 -1.07 0.00 0.00 179.97 179.10 2pvy h ALA 578 N 1.90 0.97 -0.37 0.04 0.00 -1.38 -3.07 119.26 117.34 2pvy h ALA 578 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pvy h ALA 578 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pvy h ALA 578 CO -0.01 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.87 2pvy n ARG 579 N -3.14 1.93 -2.27 0.00 5.12 0.22 -1.09 116.66 117.42 2pvy n ARG 579 Ca 0.02 -1.43 -0.36 0.00 -1.93 0.00 0.00 57.85 54.14 2pvy n ARG 579 Cb 0.47 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.43 2pvy n ARG 579 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2pvy s ARG 580 N -1.50 3.67 0.53 5.56 0.52 -1.13 -4.17 118.95 122.43 2pvy s ARG 580 Ca 0.28 1.72 -0.21 0.00 -0.52 0.00 0.00 55.73 57.00 2pvy s ARG 580 Cb 0.15 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 2pvy s ARG 580 CO 0.20 -0.61 1.25 -2.14 0.02 0.00 0.00 175.30 174.01 2pvy s PRO 581 N -2.85 3.28 0.75 3.54 0.02 -1.26 -4.89 135.00 133.58 2pvy s PRO 581 Ca 0.66 1.95 -0.14 0.00 0.02 0.00 0.00 61.00 63.48 2pvy s PRO 581 Cb -0.27 -2.19 0.05 0.00 0.02 0.00 0.00 34.50 32.11 2pvy s PRO 581 CO 0.32 -0.99 1.20 -2.14 -0.33 0.00 0.00 177.00 175.06 2pvy s PRO 582 N -2.98 2.05 0.00 5.54 0.02 -1.26 -5.21 135.00 133.16 2pvy s PRO 582 Ca 0.71 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2pvy s PRO 582 Cb -0.33 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2pvy s PRO 582 CO 0.39 -1.89 0.00 0.41 -0.33 0.00 0.00 177.00 175.57 2pvy n GLY 583 N 0.32 1.07 3.51 0.52 0.00 -1.26 -5.31 105.19 104.04 2pvy n GLY 583 Ca 0.13 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2pvy n GLY 583 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pvy n VAL 593 N -2.22 0.02 -0.97 1.61 0.31 -1.26 -5.20 118.33 110.62 2pvy n VAL 593 Ca 0.00 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.58 2pvy n VAL 593 Cb 0.08 -1.85 0.13 0.00 -0.91 0.00 0.00 33.84 31.30 2pvy n VAL 593 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2pvy n PRO 594 N 8.64 -0.02 -4.15 5.55 -0.04 -1.26 -4.89 135.00 138.82 2pvy n PRO 594 Ca 0.46 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2pvy n PRO 594 Cb 0.31 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.35 2pvy n PRO 594 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2pvy s GLU 595 N -4.10 0.77 0.00 0.54 2.56 -0.25 -5.01 118.70 113.21 2pvy s GLU 595 Ca 0.69 -1.27 0.00 0.00 0.00 0.00 0.00 54.97 54.39 2pvy s GLU 595 Cb -0.27 -0.14 0.00 0.00 2.00 0.00 0.00 34.13 35.71 2pvy s GLU 595 CO 0.55 -0.03 0.00 -1.91 -0.56 0.00 0.00 175.26 173.31 2pvy n GLU 596 N 0.10 0.00 0.00 4.30 4.07 -1.26 -4.46 120.64 123.38 2pvy n GLU 596 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 2pvy n GLU 596 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 2pvy n GLU 596 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2pvy n GLN 597 N 0.00 0.00 -2.69 5.31 7.27 -1.26 -4.83 117.38 121.18 2pvy n GLN 597 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2pvy n GLN 597 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 -1.07 4.61 0.52 3.69 1.75 -1.26 -5.05 119.30 122.51 2pvy s MET 598 Ca 0.00 1.47 -0.04 0.00 -1.25 0.00 0.00 55.69 55.88 2pvy s MET 598 Cb 0.00 -3.41 -0.00 0.00 2.84 0.00 0.00 34.83 34.26 2pvy s MET 598 CO 0.00 0.06 0.80 0.95 -0.65 0.00 0.00 175.02 176.18 2pvy s THR 599 N 0.51 3.96 0.25 10.11 -4.23 -1.26 -4.95 115.64 120.03 2pvy s THR 599 Ca 0.50 -0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2pvy s THR 599 Cb -0.23 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.33 2pvy s THR 599 CO 0.29 -0.47 1.91 0.15 -0.54 0.00 0.00 174.62 175.96 2pvy h PHE 600 N 0.09 1.23 -0.83 3.99 3.57 -2.00 -1.60 116.94 121.39 2pvy h PHE 600 Ca -0.46 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.06 2pvy h PHE 600 Cb 1.25 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2pvy h PHE 600 CO 0.48 0.80 0.55 -0.22 -2.23 0.00 0.00 178.31 177.69 2pvy h LYS 601 N 1.31 1.10 -0.43 1.11 3.64 -1.95 -1.67 116.57 119.67 2pvy h LYS 601 Ca 0.35 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2pvy h LYS 601 Cb -0.10 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.45 2pvy h LYS 601 CO -0.07 0.73 0.24 -0.44 -2.27 0.00 0.00 179.45 177.64 2pvy h ASP 602 N 1.13 0.52 -0.45 4.20 3.32 -1.67 -0.35 116.42 123.12 2pvy h ASP 602 Ca 0.30 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2pvy h ASP 602 Cb -0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2pvy h ASP 602 CO -0.07 0.45 0.29 -0.07 -1.72 0.00 0.00 179.24 178.13 2pvy h LEU 603 N 0.56 0.50 -1.04 1.55 3.38 -1.05 -0.17 115.31 119.05 2pvy h LEU 603 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pvy h LEU 603 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2pvy h LEU 603 CO -0.03 0.36 0.29 0.58 0.09 0.00 0.00 178.44 179.74 2pvy h VAL 604 N 0.59 1.23 -0.56 1.22 2.07 -1.05 -1.42 116.25 118.33 2pvy h VAL 604 Ca 0.17 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2pvy h VAL 604 Cb -0.05 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2pvy h VAL 604 CO -0.04 0.28 0.03 -1.28 0.02 0.00 0.00 177.57 176.57 2pvy h SER 605 N 0.97 0.95 -0.10 0.57 0.87 -0.37 -0.38 113.55 116.05 2pvy h SER 605 Ca 0.23 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2pvy h SER 605 Cb 0.15 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2pvy h SER 605 CO -0.02 1.01 -0.02 0.00 -0.53 0.00 0.00 176.83 177.27 2pvy h THR 607 N 0.01 1.03 -0.34 0.00 2.02 -1.06 -1.66 112.91 112.91 2pvy h THR 607 Ca 0.05 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2pvy h THR 607 Cb 0.07 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2pvy h THR 607 CO -0.10 0.11 0.13 0.22 0.37 0.00 0.00 175.52 176.26 2pvy h TYR 608 N 0.61 0.52 -0.57 3.16 3.20 -0.74 -0.99 116.97 122.16 2pvy h TYR 608 Ca 0.22 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2pvy h TYR 608 Cb 0.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2pvy h TYR 608 CO -0.07 0.49 0.37 1.96 -1.64 0.00 0.00 178.16 179.28 2pvy h GLN 609 N 0.40 0.74 -0.43 1.82 4.20 -0.83 -1.46 115.11 119.55 2pvy h GLN 609 Ca 0.11 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 2pvy h GLN 609 Cb 0.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2pvy h GLN 609 CO -0.01 0.49 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.53 2pvy h LEU 610 N 0.76 0.70 -1.02 1.46 3.38 -1.11 -1.07 115.31 118.41 2pvy h LEU 610 Ca 0.21 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2pvy h LEU 610 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2pvy h LEU 610 CO -0.06 0.80 0.12 0.00 0.09 0.00 0.00 178.44 179.39 2pvy h ALA 611 N 1.28 1.21 -0.52 1.53 0.00 -0.65 -1.49 119.26 120.61 2pvy h ALA 611 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2pvy h ALA 611 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2pvy h ALA 611 CO 0.02 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.88 2pvy h ARG 612 N 0.79 0.87 -0.41 0.00 3.08 -0.63 0.12 114.38 118.21 2pvy h ARG 612 Ca 0.17 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2pvy h ARG 612 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2pvy h ARG 612 CO 0.00 0.87 0.19 0.78 -1.07 0.00 0.00 179.97 180.74 2pvy h GLY 613 N 0.75 0.63 1.06 0.04 0.00 -0.79 -2.17 103.07 102.59 2pvy h GLY 613 Ca 0.15 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2pvy h GLY 613 CO 0.01 0.30 0.02 -0.33 0.00 0.00 0.00 176.54 176.54 2pvy h MET 614 N 0.51 1.01 -0.92 4.80 2.86 -1.14 -1.35 114.93 120.70 2pvy h MET 614 Ca 0.14 -0.31 0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2pvy h MET 614 Cb 0.12 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 2pvy h MET 614 CO -0.02 0.99 0.58 1.49 1.06 0.00 0.00 176.91 181.02 2pvy h GLU 615 N 0.90 1.02 -0.41 1.72 4.81 -0.79 0.30 114.58 122.14 2pvy h GLU 615 Ca 0.17 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2pvy h GLU 615 Cb 0.53 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2pvy h GLU 615 CO 0.03 0.68 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.87 2pvy h TYR 616 N 1.05 0.98 0.11 0.92 5.03 -1.07 -1.69 116.97 122.31 2pvy h TYR 616 Ca 0.40 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 61.47 2pvy h TYR 616 Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 2pvy h TYR 616 CO -0.02 1.01 -0.09 1.25 -1.32 0.00 0.00 178.16 178.99 2pvy h LEU 617 N 0.67 -0.23 -1.08 2.82 5.85 -0.07 -1.89 115.31 121.38 2pvy h LEU 617 Ca 0.09 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2pvy h LEU 617 Cb 0.75 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2pvy h LEU 617 CO 0.06 -0.14 0.62 0.00 -0.34 0.00 0.00 178.44 178.64 2pvy h ALA 618 N 0.67 1.38 0.00 1.25 0.00 -0.44 0.55 119.26 122.67 2pvy h ALA 618 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pvy h ALA 618 Cb 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pvy h ALA 618 CO -0.01 0.54 -0.02 0.66 0.00 0.00 0.00 179.25 180.42 2pvy h SER 619 N 1.21 0.00 -0.38 0.00 4.64 -0.81 0.39 113.55 118.60 2pvy h SER 619 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2pvy h SER 619 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2pvy h SER 619 CO -0.10 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2pvy n GLN 620 N -3.16 2.02 -3.48 4.77 1.13 0.16 -4.92 117.38 113.90 2pvy n GLN 620 Ca -0.01 -1.58 -0.25 0.00 -1.94 0.00 0.00 57.00 53.23 2pvy n GLN 620 Cb 0.19 -1.38 0.06 0.00 0.11 0.00 0.00 30.24 29.22 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 0.78 -6.56 -5.25 -1.09 5.02 0.14 -4.90 118.16 106.29 2pvy n LYS 621 Ca 0.16 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.94 2pvy n LYS 621 Cb 0.39 -5.77 -0.16 0.00 -0.02 0.00 0.00 35.03 29.47 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 -0.13 4.71 -0.17 0.00 -4.36 0.35 -4.00 121.20 117.60 2pvy s ILE 623 Ca -0.05 -0.22 -0.23 0.00 -0.26 0.00 0.00 60.65 59.89 2pvy s ILE 623 Cb -0.14 -3.06 -0.23 0.00 1.25 0.00 0.00 42.46 40.28 2pvy s ILE 623 CO 0.04 0.51 0.47 -0.74 0.24 0.00 0.00 174.94 175.46 2pvy h HIS 624 N 4.72 0.07 0.00 1.37 -0.00 -1.91 0.20 115.15 119.60 2pvy h HIS 624 Ca -0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 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 0.66 1.32 0.00 0.54 -0.00 0.00 0.00 177.93 180.45 2pvy n ARG 625 N -4.42 0.00 -2.55 5.26 1.74 -1.26 -2.81 116.66 112.61 2pvy n ARG 625 Ca -0.23 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.72 2pvy n ARG 625 Cb 0.64 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 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 2.81 -4.69 0.55 4.64 -1.26 -4.84 116.55 113.75 2pvy n ASP 626 Ca 0.00 -2.91 -0.42 0.00 -1.38 0.00 0.00 54.79 50.07 2pvy n ASP 626 Cb 0.00 -0.47 -0.03 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 -3.50 4.29 -0.05 -2.67 2.96 -1.26 -4.82 118.68 113.63 2pvy s LEU 627 Ca 0.36 1.63 -0.30 0.00 -0.22 0.00 0.00 54.13 55.59 2pvy s LEU 627 Cb 0.40 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.64 2pvy s LEU 627 CO -0.03 -0.42 0.97 0.00 -1.32 0.00 0.00 176.35 175.54 2pvy s ALA 628 N 1.76 -1.88 0.32 5.97 0.00 -1.26 -4.83 121.76 121.84 2pvy s ALA 628 Ca 0.51 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.66 2pvy s ALA 628 Cb -0.20 0.29 0.70 0.00 0.00 0.00 0.00 23.12 23.90 2pvy s ALA 628 CO 0.21 -0.67 1.86 0.00 0.00 0.00 0.00 175.76 177.16 2pvy h ALA 629 N 2.00 1.69 0.00 0.00 0.00 -1.94 0.67 119.26 121.68 2pvy h ALA 629 Ca -0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pvy h ALA 629 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pvy h ALA 629 CO 0.29 0.08 0.00 0.07 0.00 0.00 0.00 179.25 179.68 2pvy h ARG 630 N 0.83 0.00 -0.45 0.00 0.11 -1.94 -2.21 114.38 110.73 2pvy h ARG 630 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 2pvy h ARG 630 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2pvy h ARG 630 CO -0.22 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.94 2pvy n ASN 631 N -2.87 4.37 -4.42 0.08 5.03 0.22 -4.81 115.26 112.87 2pvy n ASN 631 Ca -0.01 -2.69 -0.33 0.00 0.87 0.00 0.00 54.58 52.41 2pvy n ASN 631 Cb 0.13 -0.54 -0.14 0.00 -1.02 0.00 0.00 39.78 38.22 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 -2.27 3.25 0.05 2.41 1.01 -0.85 -1.28 120.40 122.73 2pvy s VAL 632 Ca 0.44 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2pvy s VAL 632 Cb 0.32 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2pvy s VAL 632 CO 0.16 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 175.09 2pvy s LEU 633 N 0.18 3.78 -0.13 3.92 1.43 0.28 -0.16 118.68 127.97 2pvy s LEU 633 Ca -0.06 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2pvy s LEU 633 Cb -0.15 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 2pvy s LEU 633 CO 0.04 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 2pvy s VAL 634 N -1.31 2.57 0.24 -1.59 1.01 0.78 -0.32 120.40 121.78 2pvy s VAL 634 Ca 0.27 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2pvy s VAL 634 Cb -0.12 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2pvy s VAL 634 CO 0.19 0.53 -0.18 0.28 0.00 0.00 0.00 175.10 175.92 2pvy s THR 635 N 0.58 2.16 0.00 3.92 -1.32 -0.76 0.05 115.64 120.27 2pvy s THR 635 Ca -0.10 -2.28 0.00 0.00 -1.21 0.00 0.00 61.69 58.09 2pvy s THR 635 Cb -0.16 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 2pvy s THR 635 CO 0.04 -0.45 0.00 -1.84 -2.21 0.00 0.00 174.62 170.15 2pvy n GLU 636 N -0.42 0.00 -2.03 7.08 0.28 -1.26 -1.75 120.64 122.54 2pvy n GLU 636 Ca -0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.56 2pvy n GLU 636 Cb 0.60 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.46 2pvy n GLU 636 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2pvy n ASN 637 N 0.82 7.51 -3.79 -1.84 5.15 -1.26 -4.77 115.26 117.09 2pvy n ASN 637 Ca 0.00 -3.35 -0.27 0.00 -0.60 0.00 0.00 54.58 50.36 2pvy n ASN 637 Cb 0.00 -1.26 0.04 0.00 -0.53 0.00 0.00 39.78 38.03 2pvy n ASN 637 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2pvy n ASN 638 N 0.92 -4.85 -4.68 1.20 5.15 -0.72 -4.95 115.26 107.33 2pvy n ASN 638 Ca 0.55 -0.71 -0.37 0.00 -0.60 0.00 0.00 54.58 53.45 2pvy n ASN 638 Cb 0.31 -4.27 -0.08 0.00 -0.53 0.00 0.00 39.78 35.21 2pvy n ASN 638 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pvy s VAL 639 N -3.34 5.27 -0.01 3.44 1.01 -0.91 -4.92 120.40 120.93 2pvy s VAL 639 Ca 0.56 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 2pvy s VAL 639 Cb -0.27 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2pvy s VAL 639 CO 0.80 0.30 0.81 -0.04 0.00 0.00 0.00 175.10 176.97 2pvy s MET 640 N 1.08 4.50 -0.16 2.72 1.00 -1.26 -1.82 119.30 125.36 2pvy s MET 640 Ca 0.15 1.11 -0.01 0.00 0.00 0.00 0.00 55.69 56.94 2pvy s MET 640 Cb -0.14 -3.43 0.04 0.00 0.00 0.00 0.00 34.83 31.30 2pvy s MET 640 CO 0.06 0.09 -0.05 0.15 0.00 0.00 0.00 175.02 175.27 2pvy s LYS 641 N 0.64 1.36 0.24 2.03 1.02 0.56 -4.32 119.74 121.27 2pvy s LYS 641 Ca 0.42 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 2pvy s LYS 641 Cb -0.20 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 2pvy s LYS 641 CO 0.23 -0.42 1.40 0.42 -0.92 0.00 0.00 175.35 176.05 2pvy s ILE 642 N 1.67 2.82 0.15 2.17 1.01 0.23 -0.56 121.20 128.70 2pvy s ILE 642 Ca 0.01 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.39 2pvy s ILE 642 Cb -0.15 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2pvy s ILE 642 CO -0.08 0.11 0.12 0.00 0.00 0.00 0.00 174.94 175.10 2pvy n ALA 643 N 2.36 0.32 -2.89 9.38 0.00 -0.40 -0.74 120.51 128.53 2pvy n ALA 643 Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.61 2pvy n ALA 643 Cb 0.41 0.69 0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 -2.40 -7.54 -2.10 0.00 4.64 -1.26 -4.79 116.55 103.10 2pvy n ASP 644 Ca 0.03 0.17 -0.22 0.00 -1.38 0.00 0.00 54.79 53.39 2pvy n ASP 644 Cb 0.27 -5.11 0.14 0.00 -1.04 0.00 0.00 41.12 35.38 2pvy n ASP 644 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2pvy n PHE 645 N -1.14 2.70 0.16 -0.67 3.01 -1.26 -4.54 117.46 115.73 2pvy n PHE 645 Ca 0.05 -1.86 0.02 0.00 1.01 0.00 0.00 57.45 56.67 2pvy n PHE 645 Cb 0.47 -0.94 0.35 0.00 -0.01 0.00 0.00 39.48 39.35 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 1.51 0.11 -1.03 1.37 0.00 -1.89 -3.02 103.07 100.12 2pvy h GLY 646 Ca 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2pvy h GLY 646 CO 1.04 0.08 -0.23 1.04 0.00 0.00 0.00 176.54 178.47 2pvy n LEU 647 N -4.14 1.99 -4.70 3.11 4.77 -1.26 -4.64 117.00 112.14 2pvy n LEU 647 Ca -0.02 -0.85 -0.37 0.00 -0.03 0.00 0.00 56.01 54.75 2pvy n LEU 647 Cb 0.38 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2pvy n LEU 647 CO 0.39 0.37 0.81 0.00 -1.33 0.00 0.00 177.39 177.62 2pvy n ALA 648 N 0.31 0.77 -2.86 -1.18 0.00 -1.12 -4.73 120.51 111.70 2pvy n ALA 648 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2pvy n ALA 648 Cb 0.39 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 2pvy n ALA 648 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pvy s ARG 649 N -3.37 0.39 -0.31 0.00 1.81 0.06 -4.98 118.95 112.54 2pvy s ARG 649 Ca 0.80 -0.68 -0.15 0.00 -1.72 0.00 0.00 55.73 53.99 2pvy s ARG 649 Cb -0.37 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.24 2pvy s ARG 649 CO 0.43 -0.07 0.37 0.34 -0.68 0.00 0.00 175.30 175.69 2pvy s ASP 650 N -1.69 6.21 -0.33 0.23 3.68 -1.26 -0.50 116.67 123.02 2pvy s ASP 650 Ca -0.12 0.03 0.07 0.00 2.13 0.00 0.00 52.55 54.66 2pvy s ASP 650 Cb -0.07 -2.20 0.52 0.00 -1.45 0.00 0.00 42.92 39.72 2pvy s ASP 650 CO -0.02 -0.27 1.54 2.30 0.13 0.00 0.00 175.17 178.85 2pvy n ILE 651 N 5.19 2.70 -2.05 4.11 -5.35 0.06 -5.00 119.36 119.02 2pvy n ILE 651 Ca -0.09 -2.76 -0.42 0.00 -0.27 0.00 0.00 62.75 59.22 2pvy n ILE 651 Cb 0.50 -0.43 -0.03 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.42 6.70 -0.63 7.28 2.47 -1.24 -2.67 114.94 124.42 2pvy s ASN 652 Ca 0.48 2.53 0.00 0.00 0.42 0.00 0.00 52.86 56.28 2pvy s ASN 652 Cb 0.42 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 2pvy s ASN 652 CO 0.01 -0.72 0.00 0.59 -3.72 0.00 0.00 177.10 173.26 2pvy n ASN 653 N 3.44 -4.23 -3.97 -4.21 5.03 -1.26 -5.01 115.26 105.05 2pvy n ASN 653 Ca 0.11 0.15 -0.13 0.00 0.87 0.00 0.00 54.58 55.58 2pvy n ASN 653 Cb 0.40 -2.25 -0.13 0.00 -1.02 0.00 0.00 39.78 36.79 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 -2.05 0.29 0.13 2.41 -4.36 -1.09 -5.06 121.20 111.46 2pvy s ILE 654 Ca 0.00 -0.59 0.20 0.00 -0.26 0.00 0.00 60.65 60.00 2pvy s ILE 654 Cb 0.00 -0.33 0.16 0.00 1.25 0.00 0.00 42.46 43.54 2pvy s ILE 654 CO 0.00 -0.20 1.74 0.44 0.24 0.00 0.00 174.94 177.16 2pvy h ASP 655 N 5.28 0.00 -4.53 4.36 3.32 -1.95 -3.47 116.42 119.42 2pvy h ASP 655 Ca -0.30 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.92 2pvy h ASP 655 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 2pvy h ASP 655 CO 0.45 0.34 0.62 -0.72 -1.72 0.00 0.00 179.24 178.21 2pvy s TYR 656 N -3.57 -0.25 0.07 4.55 -0.85 -1.26 -4.90 117.35 111.14 2pvy s TYR 656 Ca 0.01 0.15 -0.08 0.00 -0.52 0.00 0.00 57.07 56.62 2pvy s TYR 656 Cb 0.10 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 2pvy s TYR 656 CO 0.68 -0.42 0.35 -0.47 -1.52 0.00 0.00 175.55 174.17 2pvy s TYR 657 N -2.85 3.56 -0.33 -3.49 5.04 0.09 -4.89 117.35 114.48 2pvy s TYR 657 Ca 0.07 0.67 -0.09 0.00 -2.44 0.00 0.00 57.07 55.28 2pvy s TYR 657 Cb -0.01 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.24 2pvy s TYR 657 CO -0.07 0.53 0.15 0.21 -1.34 0.00 0.00 175.55 175.03 2pvy s LYS 658 N -2.01 3.03 0.74 4.97 2.47 -1.26 -0.48 119.74 127.20 2pvy s LYS 658 Ca 0.33 -0.92 -0.12 0.00 -1.56 0.00 0.00 55.97 53.70 2pvy s LYS 658 Cb -0.13 -3.55 0.04 0.00 -1.46 0.00 0.00 37.83 32.72 2pvy s LYS 658 CO 0.19 -0.54 1.10 -0.80 0.16 0.00 0.00 175.35 175.46 2pvy s ASN 659 N 1.54 4.67 0.73 1.43 -0.87 0.78 -5.02 114.94 118.20 2pvy s ASN 659 Ca 0.03 1.89 -0.11 0.00 -1.57 0.00 0.00 52.86 53.09 2pvy s ASN 659 Cb -0.18 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.55 2pvy s ASN 659 CO 0.05 -1.93 1.09 0.42 -2.57 0.00 0.00 177.10 174.16 2pvy s THR 660 N -2.72 3.53 0.09 1.60 -4.23 -1.26 -4.89 115.64 107.77 2pvy s THR 660 Ca 0.63 0.50 -0.35 0.00 -1.18 0.00 0.00 61.69 61.29 2pvy s THR 660 Cb -0.18 -3.36 -0.15 0.00 1.34 0.00 0.00 72.50 70.14 2pvy s THR 660 CO 0.51 -0.65 1.57 0.74 -0.54 0.00 0.00 174.62 176.25 2pvy h THR 661 N -0.79 0.05 -3.53 3.99 2.02 -1.98 -3.31 112.91 109.36 2pvy h THR 661 Ca -0.45 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.02 2pvy h THR 661 Cb 1.25 0.05 -0.33 0.00 -1.74 0.00 0.00 68.15 67.37 2pvy h THR 661 CO 0.61 0.00 -0.36 0.20 0.37 0.00 0.00 175.52 176.34 2pvy s ASN 662 N -4.50 5.45 1.05 4.18 0.01 -1.26 -5.02 114.94 114.86 2pvy s ASN 662 Ca -0.17 -2.57 -0.14 0.00 -0.71 0.00 0.00 52.86 49.26 2pvy s ASN 662 Cb 0.05 -1.91 0.20 0.00 0.41 0.00 0.00 41.25 40.01 2pvy s ASN 662 CO 0.61 -0.46 1.02 0.61 -1.51 0.00 0.00 177.10 177.37 2pvy n GLY 663 N 3.92 -1.77 1.63 0.66 0.00 -1.25 -4.99 105.19 103.39 2pvy n GLY 663 Ca 0.05 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.51 2.30 -3.84 1.61 1.74 -1.26 -4.98 116.66 108.72 2pvy n ARG 664 Ca 0.13 -3.35 -0.36 0.00 -0.77 0.00 0.00 57.85 53.51 2pvy n ARG 664 Cb 0.47 -2.01 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.41 3.85 -0.06 0.55 1.43 -1.26 -5.04 118.68 114.75 2pvy s LEU 665 Ca 0.50 0.04 -0.36 0.00 -1.03 0.00 0.00 54.13 53.28 2pvy s LEU 665 Cb 0.43 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.50 2pvy s LEU 665 CO 0.02 0.10 1.68 -2.65 0.23 0.00 0.00 176.35 175.73 2pvy n PRO 666 N 4.07 1.69 -0.20 1.29 -0.02 -1.26 -4.84 135.00 135.73 2pvy n PRO 666 Ca -0.16 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2pvy n PRO 666 Cb 0.52 -2.36 0.20 0.00 -0.02 0.00 0.00 33.50 31.84 2pvy n PRO 666 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2pvy h VAL 667 N 4.64 1.21 0.00 -1.45 -1.51 -1.96 -2.74 116.25 114.45 2pvy h VAL 667 Ca -0.47 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 2pvy h VAL 667 Cb 1.29 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2pvy h VAL 667 CO 0.91 0.25 0.00 0.29 -1.23 0.00 0.00 177.57 177.79 2pvy n LYS 668 N -4.35 0.11 -0.00 5.19 5.02 -1.26 -1.31 118.16 121.55 2pvy n LYS 668 Ca 0.07 0.51 0.06 0.00 -2.02 0.00 0.00 58.31 56.93 2pvy n LYS 668 Cb 0.12 -1.78 0.05 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.99 0.00 -2.85 2.13 8.01 -1.04 -4.97 117.44 116.74 2pvy n TRP 669 Ca 0.00 -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 -0.04 0.00 -2.01 0.00 0.00 31.31 29.35 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 -1.02 4.45 0.53 -0.99 -1.94 -0.43 -4.10 119.30 115.80 2pvy s MET 670 Ca 0.14 1.17 -0.21 0.00 -1.71 0.00 0.00 55.69 55.08 2pvy s MET 670 Cb 0.10 -3.49 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 2pvy s MET 670 CO 0.15 -0.11 1.22 0.00 -0.01 0.00 0.00 175.02 176.27 2pvy s ALA 671 N 1.34 2.76 0.35 3.03 0.00 -1.26 -4.82 121.76 123.16 2pvy s ALA 671 Ca 0.44 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.52 2pvy s ALA 671 Cb -0.19 -3.45 0.76 0.00 0.00 0.00 0.00 23.12 20.25 2pvy s ALA 671 CO 0.20 -1.01 1.89 -1.35 0.00 0.00 0.00 175.76 175.50 2pvy h PRO 672 N 1.44 0.73 -0.89 0.00 0.11 -1.96 -1.80 132.00 129.63 2pvy h PRO 672 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2pvy h PRO 672 Cb 1.28 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2pvy h PRO 672 CO 0.57 0.48 0.57 0.93 -0.21 0.00 0.00 178.00 180.35 2pvy h GLU 673 N 0.75 1.19 -0.13 1.05 3.07 -1.91 0.13 114.58 118.73 2pvy h GLU 673 Ca 0.41 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 59.14 2pvy h GLU 673 Cb 0.55 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2pvy h GLU 673 CO -0.18 0.81 -0.10 0.00 -1.40 0.00 0.00 179.01 178.14 2pvy h ALA 674 N 1.31 0.19 -0.02 3.43 0.00 -1.10 0.27 119.26 123.34 2pvy h ALA 674 Ca 0.32 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pvy h ALA 674 Cb -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pvy h ALA 674 CO -0.07 0.03 0.01 -0.07 0.00 0.00 0.00 179.25 179.15 2pvy h LEU 675 N -0.06 0.03 0.00 0.00 3.38 -1.00 -2.21 115.31 115.44 2pvy h LEU 675 Ca 0.03 -0.12 -0.35 0.00 0.09 0.00 0.00 57.88 57.52 2pvy h LEU 675 Cb 0.60 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2pvy h LEU 675 CO 0.03 0.14 -2.22 0.49 0.09 0.00 0.00 178.44 176.97 2pvy n PHE 676 N -5.01 0.26 0.48 1.13 0.99 0.41 -4.58 117.46 111.13 2pvy n PHE 676 Ca -0.07 0.09 0.05 0.00 -0.00 0.00 0.00 57.45 57.52 2pvy n PHE 676 Cb 0.09 -1.05 -0.00 0.00 -1.00 0.00 0.00 39.48 37.51 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 -2.84 1.22 -1.63 4.37 8.00 0.62 -5.00 116.55 121.29 2pvy n ASP 677 Ca -0.29 -1.11 -0.19 0.00 0.71 0.00 0.00 54.79 53.91 2pvy n ASP 677 Cb 1.13 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 42.67 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 -1.36 -4.34 -1.24 1.74 0.58 -4.91 116.66 106.84 2pvy n ARG 678 Ca 0.04 1.09 -0.35 0.00 -0.77 0.00 0.00 57.85 57.87 2pvy n ARG 678 Cb 0.22 -5.46 -0.09 0.00 -1.02 0.00 0.00 32.46 26.12 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 -2.76 4.39 -0.07 1.55 -7.23 -0.94 -0.15 120.40 115.18 2pvy s VAL 679 Ca 0.00 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2pvy s VAL 679 Cb 0.00 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 34.11 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 -0.90 0.82 0.37 2.82 5.04 0.37 -2.49 117.35 123.38 2pvy s TYR 680 Ca 0.14 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2pvy s TYR 680 Cb -0.11 -0.82 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 2pvy s TYR 680 CO 0.03 -0.31 0.14 0.95 -1.34 0.00 0.00 175.55 175.03 2pvy s THR 681 N 1.54 0.53 0.43 4.34 -4.23 -1.26 -0.73 115.64 116.26 2pvy s THR 681 Ca -0.01 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.66 2pvy s THR 681 Cb -0.13 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.62 2pvy s THR 681 CO -0.04 0.00 1.94 0.45 -0.54 0.00 0.00 174.62 176.43 2pvy h HIS 682 N 1.95 0.45 0.00 3.99 3.86 -1.94 0.39 115.15 123.84 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 1.26 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2pvy h HIS 682 CO 1.33 0.18 -0.01 1.96 0.86 0.00 0.00 177.93 182.26 2pvy h GLN 683 N 0.39 0.00 0.01 2.45 1.08 -1.94 -0.14 115.11 116.97 2pvy h GLN 683 Ca 0.34 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.31 2pvy h GLN 683 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2pvy h GLN 683 CO -0.10 0.01 -0.96 0.77 -0.95 0.00 0.00 178.83 177.60 2pvy h SER 684 N 0.00 0.50 0.06 1.46 0.02 -0.61 -2.47 113.55 112.51 2pvy h SER 684 Ca -0.00 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 2pvy h SER 684 Cb 0.32 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2pvy h SER 684 CO 0.00 1.22 -0.30 0.44 -1.14 0.00 0.00 176.83 177.05 2pvy h ASP 685 N 0.21 0.36 -0.66 3.07 3.45 -0.85 -2.42 116.42 119.58 2pvy h ASP 685 Ca -0.08 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.22 2pvy h ASP 685 Cb 1.60 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 40.24 2pvy h ASP 685 CO 0.16 0.65 0.31 0.58 -1.57 0.00 0.00 179.24 179.37 2pvy h VAL 686 N 0.32 1.23 -0.24 -1.35 2.07 -0.91 0.76 116.25 118.13 2pvy h VAL 686 Ca 0.04 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2pvy h VAL 686 Cb 0.68 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2pvy h VAL 686 CO 0.05 0.27 0.12 -0.25 0.02 0.00 0.00 177.57 177.78 2pvy h TRP 687 N 0.97 0.34 -0.82 1.57 2.91 -0.99 -1.83 115.95 118.10 2pvy h TRP 687 Ca 0.23 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.26 2pvy h TRP 687 Cb 0.13 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 2pvy h TRP 687 CO 0.01 0.32 0.54 0.77 -1.03 0.00 0.00 178.44 179.06 2pvy h SER 688 N 0.25 0.92 -0.69 2.65 0.02 -1.04 -0.07 113.55 115.60 2pvy h SER 688 Ca 0.08 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2pvy h SER 688 Cb 0.11 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2pvy h SER 688 CO -0.01 0.66 0.46 0.15 -1.14 0.00 0.00 176.83 176.94 2pvy h PHE 689 N 1.09 0.82 -0.52 3.45 3.57 -0.27 -0.18 116.94 124.89 2pvy h PHE 689 Ca 0.31 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 2pvy h PHE 689 Cb -0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 2pvy h PHE 689 CO -0.00 0.49 0.26 0.78 -2.23 0.00 0.00 178.31 177.61 2pvy h GLY 690 N 0.86 0.79 1.28 2.40 0.00 -0.20 0.01 103.07 108.21 2pvy h GLY 690 Ca 0.27 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2pvy h GLY 690 CO -0.07 0.36 0.02 -2.08 0.00 0.00 0.00 176.54 174.76 2pvy h VAL 691 N 0.69 1.25 -0.67 4.60 2.07 -0.94 -2.18 116.25 121.06 2pvy h VAL 691 Ca 0.18 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2pvy h VAL 691 Cb 0.09 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2pvy h VAL 691 CO -0.02 0.37 0.44 0.25 0.02 0.00 0.00 177.57 178.62 2pvy h LEU 692 N 0.81 0.76 -0.70 2.57 5.85 -0.56 -1.10 115.31 122.95 2pvy h LEU 692 Ca 0.16 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2pvy h LEU 692 Cb 0.46 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2pvy h LEU 692 CO 0.02 0.55 0.41 0.24 -0.34 0.00 0.00 178.44 179.32 2pvy h MET 693 N 0.90 0.74 -0.43 1.25 2.86 -0.55 0.14 114.93 119.85 2pvy h MET 693 Ca 0.25 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2pvy h MET 693 Cb -0.10 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 2pvy h MET 693 CO -0.06 0.49 0.09 2.35 1.06 0.00 0.00 176.91 180.85 2pvy h TRP 694 N 0.76 0.65 -0.28 -0.22 7.01 -0.76 -1.18 115.95 121.93 2pvy h TRP 694 Ca 0.30 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.20 2pvy h TRP 694 Cb 0.15 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2pvy h TRP 694 CO -0.06 0.57 -0.04 0.93 -2.79 0.00 0.00 178.44 177.05 2pvy h GLU 695 N 0.62 0.52 0.21 2.65 5.08 0.04 -2.19 114.58 121.51 2pvy h GLU 695 Ca 0.14 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2pvy h GLU 695 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2pvy h GLU 695 CO -0.00 0.70 -0.10 0.82 -1.00 0.00 0.00 179.01 179.43 2pvy h ILE 696 N 0.29 0.80 0.00 3.13 2.04 -0.54 0.46 117.51 123.69 2pvy h ILE 696 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2pvy h ILE 696 Cb 0.49 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2pvy h ILE 696 CO 0.02 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.67 2pvy n PHE 697 N -5.21 0.00 -0.29 1.37 3.72 -0.49 -1.03 117.46 115.53 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 -0.24 0.25 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.24 1.01 -3.75 4.37 -2.24 -0.83 -4.76 114.28 106.84 2pvy n THR 698 Ca 0.12 -1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.67 2pvy n THR 698 Cb 0.18 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.15 -2.95 0.00 3.22 4.77 -0.19 -2.88 117.00 120.11 2pvy n LEU 699 Ca 0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2pvy n LEU 699 Cb 0.54 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 2pvy n LEU 699 CO 0.13 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2pvy n GLY 700 N -1.63 0.80 3.75 -0.72 0.00 0.16 -3.05 105.19 104.50 2pvy n GLY 700 Ca -0.26 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.47 1.63 -0.22 -0.02 0.00 -1.14 -4.85 107.32 100.25 2pvy s GLY 701 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.56 2pvy s GLY 701 CO 0.00 0.44 0.43 -0.56 0.00 0.00 0.00 173.10 173.41 2pvy s SER 702 N -3.51 6.42 0.58 1.64 0.01 -1.26 -4.72 113.70 112.87 2pvy s SER 702 Ca 0.62 0.50 -0.18 0.00 1.31 0.00 0.00 55.95 58.20 2pvy s SER 702 Cb -0.17 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 2pvy s SER 702 CO 0.56 -0.15 0.75 -0.81 0.41 0.00 0.00 173.24 174.00 2pvy n PRO 703 N 4.87 0.70 -3.91 12.44 -0.04 -1.26 -3.29 135.00 144.52 2pvy n PRO 703 Ca -0.07 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 2pvy n PRO 703 Cb 0.51 -1.94 0.03 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.71 -1.61 -1.66 0.54 4.01 -1.26 -4.81 117.16 110.66 2pvy n TYR 704 Ca 0.13 0.23 -0.46 0.00 -0.16 0.00 0.00 57.90 57.64 2pvy n TYR 704 Cb 0.47 -3.07 -0.04 0.00 -0.31 0.00 0.00 39.34 36.40 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 -4.68 2.05 -0.95 -0.72 -0.04 -1.21 -1.81 135.00 127.63 2pvy n PRO 705 Ca -0.10 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2pvy n PRO 705 Cb 0.58 -2.46 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 2.98 0.52 3.20 0.55 0.00 -1.26 -4.99 105.19 106.19 2pvy n GLY 706 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 3.21 0.45 -0.61 1.01 -0.75 -5.09 121.20 117.10 2pvy s ILE 707 Ca 0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 60.65 59.13 2pvy s ILE 707 Cb 0.00 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 2pvy s ILE 707 CO 0.00 -0.10 1.22 -2.16 0.00 0.00 0.00 174.94 173.89 2pvy s PRO 708 N 1.30 3.76 0.29 2.79 0.04 -1.26 -4.84 135.00 137.07 2pvy s PRO 708 Ca -0.04 1.91 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2pvy s PRO 708 Cb -0.19 -2.49 0.70 0.00 0.04 0.00 0.00 34.50 32.55 2pvy s PRO 708 CO -0.00 -0.59 1.67 0.28 0.04 0.00 0.00 177.00 178.40 2pvy h VAL 709 N 1.99 0.39 0.00 -0.36 2.07 -1.98 0.12 116.25 118.48 2pvy h VAL 709 Ca -0.49 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2pvy h VAL 709 Cb 1.25 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2pvy h VAL 709 CO 0.61 0.05 0.00 1.05 0.02 0.00 0.00 177.57 179.30 2pvy h GLU 710 N 0.28 0.00 0.00 1.57 9.09 -2.04 -1.51 114.58 121.97 2pvy h GLU 710 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 2pvy h GLU 710 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2pvy h GLU 710 CO -0.59 0.00 -1.52 0.39 0.05 0.00 0.00 179.01 177.34 2pvy n GLU 711 N -2.75 0.47 -0.11 1.06 1.02 0.38 -4.41 120.64 116.30 2pvy n GLU 711 Ca -0.01 -0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 56.95 2pvy n GLU 711 Cb 0.11 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.80 -0.35 -4.62 5.85 -0.73 -3.12 115.31 113.14 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 0.75 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 2pvy h LEU 712 CO 0.00 0.94 -0.54 -0.26 -0.34 0.00 0.00 178.44 178.24 2pvy h PHE 713 N 0.73 -1.63 -0.04 1.25 0.05 -1.76 0.20 116.94 115.73 2pvy h PHE 713 Ca 0.12 0.08 0.01 0.00 3.82 0.00 0.00 57.97 62.00 2pvy h PHE 713 Cb 0.61 0.76 -0.01 0.00 2.00 0.00 0.00 35.95 39.31 2pvy h PHE 713 CO 0.03 -0.50 -0.04 -0.22 -0.18 0.00 0.00 178.31 177.41 2pvy h LYS 714 N -0.43 -0.05 -0.96 1.51 3.64 -1.85 -2.23 116.57 116.20 2pvy h LYS 714 Ca 0.07 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 2pvy h LYS 714 Cb 0.61 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 2pvy h LYS 714 CO -0.56 -0.03 0.57 -0.07 -2.27 0.00 0.00 179.45 177.09 2pvy h LEU 715 N -0.05 0.77 -0.80 5.20 3.38 -1.37 -0.33 115.31 122.11 2pvy h LEU 715 Ca 0.03 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2pvy h LEU 715 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pvy h LEU 715 CO -0.07 0.34 -0.50 -0.07 0.09 0.00 0.00 178.44 178.23 2pvy h LEU 716 N 0.81 0.26 -1.52 1.67 3.38 -0.59 0.16 115.31 119.48 2pvy h LEU 716 Ca 0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 2pvy h LEU 716 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2pvy h LEU 716 CO -0.33 0.72 -0.22 0.11 0.09 0.00 0.00 178.44 178.81 2pvy h LYS 717 N 0.19 0.00 -0.67 1.13 1.57 -0.52 -1.55 116.57 116.73 2pvy h LYS 717 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2pvy h LYS 717 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2pvy h LYS 717 CO 0.08 0.22 0.03 0.39 -0.57 0.00 0.00 179.45 179.60 2pvy n GLU 718 N -3.68 4.15 -1.75 3.15 1.02 -0.53 -4.93 120.64 118.07 2pvy n GLU 718 Ca -0.01 -2.64 -0.14 0.00 -0.02 0.00 0.00 57.16 54.34 2pvy n GLU 718 Cb 0.34 -2.14 -0.04 0.00 -0.02 0.00 0.00 31.44 29.58 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 0.44 0.80 3.77 0.62 0.00 -0.58 -4.98 105.19 105.25 2pvy n GLY 719 Ca 0.25 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.60 2.57 -0.03 1.61 5.04 0.47 -4.98 115.29 117.38 2pvy s HIS 720 Ca 0.00 1.29 -0.05 0.00 -1.54 0.00 0.00 55.06 54.77 2pvy s HIS 720 Cb 0.00 -3.87 0.01 0.00 0.04 0.00 0.00 32.58 28.76 2pvy s HIS 720 CO 0.00 -2.72 0.11 1.03 -2.34 0.00 0.00 174.74 170.82 2pvy s ARG 721 N -2.36 0.25 0.36 2.88 1.81 -1.26 -4.74 118.95 115.90 2pvy s ARG 721 Ca 0.59 -0.06 -0.28 0.00 -1.72 0.00 0.00 55.73 54.26 2pvy s ARG 721 Cb -0.43 0.11 -0.10 0.00 -0.45 0.00 0.00 34.95 34.09 2pvy s ARG 721 CO 0.55 -0.05 1.33 -1.64 -0.68 0.00 0.00 175.30 174.81 2pvy s MET 722 N -0.48 4.21 0.89 3.54 -1.94 -1.26 -5.02 119.30 119.23 2pvy s MET 722 Ca -0.06 2.24 -0.12 0.00 -1.71 0.00 0.00 55.69 56.04 2pvy s MET 722 Cb -0.04 -2.96 0.12 0.00 2.01 0.00 0.00 34.83 33.97 2pvy s MET 722 CO 0.00 -0.32 1.13 -0.51 -0.01 0.00 0.00 175.02 175.31 2pvy s ASP 723 N -0.53 3.69 0.27 3.03 1.01 -1.26 -4.98 116.67 117.90 2pvy s ASP 723 Ca 0.52 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.53 2pvy s ASP 723 Cb -0.40 -1.66 -0.11 0.00 1.01 0.00 0.00 42.92 41.76 2pvy s ASP 723 CO 0.53 -2.45 1.54 -0.75 0.21 0.00 0.00 175.17 174.26 2pvy s LYS 724 N -5.24 4.18 0.34 8.23 2.20 -1.26 -4.96 119.74 123.23 2pvy s LYS 724 Ca 0.63 2.47 -0.27 0.00 -0.36 0.00 0.00 55.97 58.44 2pvy s LYS 724 Cb -0.15 -3.06 -0.09 0.00 -1.51 0.00 0.00 37.83 33.01 2pvy s LYS 724 CO 0.54 -0.56 1.16 -2.14 -0.36 0.00 0.00 175.35 173.99 2pvy s PRO 725 N -0.27 4.34 0.56 4.03 0.02 -1.26 -4.96 135.00 137.46 2pvy s PRO 725 Ca 0.63 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 2pvy s PRO 725 Cb -0.46 -2.94 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2pvy s PRO 725 CO 0.44 -0.08 1.27 0.00 -0.33 0.00 0.00 177.00 178.30 2pvy n ALA 726 N 0.63 1.21 -3.25 -1.55 0.00 -1.26 -3.13 120.51 113.16 2pvy n ALA 726 Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2pvy n ALA 726 Cb 0.45 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 -1.02 -6.82 -3.68 0.00 3.02 -1.26 -4.90 115.26 100.60 2pvy n ASN 727 Ca 0.12 -0.56 -0.10 0.00 -0.03 0.00 0.00 54.58 54.00 2pvy n ASN 727 Cb 0.45 -4.99 -0.09 0.00 -0.61 0.00 0.00 39.78 34.54 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 1.15 2.99 0.42 0.00 -4.23 -1.26 -4.89 115.64 109.82 2pvy s THR 729 Ca -0.07 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.15 2pvy s THR 729 Cb -0.06 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.76 2pvy s THR 729 CO -0.11 -0.13 2.02 -1.13 -0.54 0.00 0.00 174.62 174.73 2pvy h ASN 730 N 1.09 0.27 -0.39 3.99 -0.73 -1.99 -1.89 115.58 115.93 2pvy h ASN 730 Ca -0.50 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.65 2pvy h ASN 730 Cb 1.27 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.77 2pvy h ASN 730 CO 0.56 0.29 0.26 -0.08 -0.37 0.00 0.00 177.43 178.09 2pvy h GLU 731 N 0.31 0.52 -0.28 6.67 4.81 -1.99 0.37 114.58 124.98 2pvy h GLU 731 Ca 0.08 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 2pvy h GLU 731 Cb 0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2pvy h GLU 731 CO -0.00 0.35 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.21 2pvy h LEU 732 N 0.53 0.65 -0.66 1.64 3.38 -1.77 -2.28 115.31 116.80 2pvy h LEU 732 Ca 0.14 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2pvy h LEU 732 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2pvy h LEU 732 CO -0.03 0.94 0.19 0.22 0.09 0.00 0.00 178.44 179.85 2pvy h TYR 733 N 0.53 1.08 -0.09 1.13 3.20 -1.03 -1.76 116.97 120.03 2pvy h TYR 733 Ca 0.06 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2pvy h TYR 733 Cb 0.84 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2pvy h TYR 733 CO 0.04 0.88 -0.15 0.52 -1.64 0.00 0.00 178.16 177.81 2pvy h MET 734 N 0.97 0.13 -0.51 1.82 2.86 -0.74 -0.48 114.93 118.97 2pvy h MET 734 Ca 0.21 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 2pvy h MET 734 Cb 0.32 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2pvy h MET 734 CO -0.00 0.29 0.10 1.98 1.06 0.00 0.00 176.91 180.34 2pvy h MET 735 N 0.13 0.83 -0.18 1.72 1.85 -0.76 -0.67 114.93 117.85 2pvy h MET 735 Ca 0.03 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2pvy h MET 735 Cb 0.35 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 2pvy h MET 735 CO 0.02 0.81 0.12 0.52 -0.40 0.00 0.00 176.91 177.98 2pvy h MET 736 N 0.72 0.23 -0.72 0.39 2.07 -0.51 -1.73 114.93 115.36 2pvy h MET 736 Ca 0.16 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.78 2pvy h MET 736 Cb 0.37 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.01 2pvy h MET 736 CO 0.01 0.15 0.48 0.00 1.07 0.00 0.00 176.91 178.62 2pvy h ARG 737 N 0.24 0.94 -0.79 1.72 2.47 -0.91 -0.45 114.38 117.61 2pvy h ARG 737 Ca 0.07 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 2pvy h ARG 737 Cb -0.02 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.05 2pvy h ARG 737 CO -0.02 0.62 0.33 -0.44 0.56 0.00 0.00 179.97 181.03 2pvy h ASP 738 N 0.97 1.08 0.34 7.04 3.32 -0.69 -1.41 116.42 127.07 2pvy h ASP 738 Ca 0.27 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2pvy h ASP 738 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 2pvy h ASP 738 CO -0.06 0.94 -0.19 0.00 -1.72 0.00 0.00 179.24 178.21 2pvy n TRP 740 N -3.91 3.06 -2.37 0.00 8.01 -0.54 -3.94 117.44 117.76 2pvy n TRP 740 Ca -0.02 -2.25 -0.41 0.00 -1.31 0.00 0.00 57.50 53.52 2pvy n TRP 740 Cb 0.28 -1.10 -0.04 0.00 -2.01 0.00 0.00 31.31 28.45 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 -3.48 3.42 0.41 -5.99 2.46 -0.97 -4.90 115.29 106.24 2pvy s HIS 741 Ca 0.59 1.52 0.10 0.00 0.47 0.00 0.00 55.06 57.75 2pvy s HIS 741 Cb 0.49 -3.42 0.91 0.00 -0.13 0.00 0.00 32.58 30.43 2pvy s HIS 741 CO 0.07 -1.08 1.98 0.00 -2.47 0.00 0.00 174.74 173.24 2pvy h ALA 742 N 4.40 1.87 -2.28 1.58 0.00 -1.92 -3.38 119.26 119.53 2pvy h ALA 742 Ca -0.46 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 2pvy h ALA 742 Cb 1.21 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 2pvy h ALA 742 CO 0.70 0.02 0.13 0.08 0.00 0.00 0.00 179.25 180.19 2pvy s VAL 743 N -5.50 4.87 0.17 0.00 1.01 -1.26 -4.91 120.40 114.78 2pvy s VAL 743 Ca -0.08 0.43 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 2pvy s VAL 743 Cb 0.19 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.52 2pvy s VAL 743 CO 0.75 -0.41 1.58 -0.65 0.00 0.00 0.00 175.10 176.38 2pvy h PRO 744 N 8.60 -0.23 0.00 2.72 0.11 -1.94 0.36 132.00 141.61 2pvy h PRO 744 Ca -0.26 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2pvy h PRO 744 Cb 1.11 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2pvy h PRO 744 CO 0.85 -0.16 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 2pvy h SER 745 N -0.24 0.00 0.22 -2.05 4.64 -1.94 -1.12 113.55 113.05 2pvy h SER 745 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2pvy h SER 745 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2pvy h SER 745 CO -0.61 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.17 2pvy n GLN 746 N -2.32 0.93 -3.06 4.77 1.13 0.11 -4.85 117.38 114.09 2pvy n GLN 746 Ca -0.00 -0.50 -0.30 0.00 -1.94 0.00 0.00 57.00 54.26 2pvy n GLN 746 Cb 0.10 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 2pvy n GLN 746 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2pvy s ARG 747 N -2.41 3.76 0.84 -1.09 0.52 -0.43 -4.93 118.95 115.21 2pvy s ARG 747 Ca 0.28 0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 2pvy s ARG 747 Cb 0.20 -2.48 0.10 0.00 0.52 0.00 0.00 34.95 33.28 2pvy s ARG 747 CO 0.48 0.08 1.10 -1.25 0.02 0.00 0.00 175.30 175.73 2pvy s PRO 748 N -3.60 1.71 0.51 3.54 0.04 -1.26 -5.02 135.00 130.92 2pvy s PRO 748 Ca 0.49 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 2pvy s PRO 748 Cb -0.10 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2pvy s PRO 748 CO 0.29 -2.04 0.74 0.95 0.04 0.00 0.00 177.00 176.98 2pvy s THR 749 N -2.84 3.49 0.40 1.26 -4.23 -1.26 -4.92 115.64 107.54 2pvy s THR 749 Ca 0.63 -0.49 0.26 0.00 -1.18 0.00 0.00 61.69 60.92 2pvy s THR 749 Cb -0.19 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2pvy s THR 749 CO 0.57 -0.23 2.05 -0.26 -0.54 0.00 0.00 174.62 176.20 2pvy h PHE 750 N 0.20 0.00 -0.55 3.99 0.04 -1.94 -1.26 116.94 117.42 2pvy h PHE 750 Ca -0.45 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.21 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 0.43 0.13 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.95 2pvy h LYS 751 N 0.00 1.05 -0.13 1.51 3.64 -1.92 -1.47 116.57 119.23 2pvy h LYS 751 Ca -0.00 -0.38 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 2pvy h LYS 751 Cb 0.36 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2pvy h LYS 751 CO 0.02 1.08 -0.66 1.96 -2.27 0.00 0.00 179.45 179.57 2pvy h GLN 752 N 0.93 0.53 -0.52 1.90 4.20 -1.76 -2.61 115.11 117.78 2pvy h GLN 752 Ca 0.14 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2pvy h GLN 752 Cb 0.67 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2pvy h GLN 752 CO 0.05 1.01 0.23 -0.07 -0.67 0.00 0.00 178.83 179.37 2pvy h LEU 753 N 0.38 0.70 -0.31 1.46 3.38 -1.09 -0.39 115.31 119.43 2pvy h LEU 753 Ca -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2pvy h LEU 753 Cb 1.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2pvy h LEU 753 CO 0.12 0.65 0.17 0.58 0.09 0.00 0.00 178.44 180.06 2pvy h VAL 754 N 0.69 1.13 -0.21 1.22 2.07 -1.25 0.64 116.25 120.54 2pvy h VAL 754 Ca 0.17 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2pvy h VAL 754 Cb 0.16 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2pvy h VAL 754 CO -0.02 0.13 0.10 -0.08 0.02 0.00 0.00 177.57 177.72 2pvy h GLU 755 N 0.39 0.21 -0.24 1.57 4.81 -1.19 0.41 114.58 120.53 2pvy h GLU 755 Ca 0.11 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2pvy h GLU 755 Cb 0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2pvy h GLU 755 CO -0.02 0.14 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.93 2pvy h ASP 756 N 0.21 0.44 -0.50 1.04 5.19 -0.94 -2.86 116.42 119.01 2pvy h ASP 756 Ca 0.09 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.13 2pvy h ASP 756 Cb 0.03 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 2pvy h ASP 756 CO -0.07 0.68 0.23 -0.07 -3.12 0.00 0.00 179.24 176.89 2pvy h LEU 757 N 0.20 0.69 -0.82 1.55 3.38 -0.72 -0.78 115.31 118.81 2pvy h LEU 757 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pvy h LEU 757 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2pvy h LEU 757 CO 0.02 0.61 0.35 -0.78 0.09 0.00 0.00 178.44 178.72 2pvy h ASP 758 N 0.76 1.11 -0.06 -0.43 3.58 -0.82 0.15 116.42 120.71 2pvy h ASP 758 Ca 0.19 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2pvy h ASP 758 Cb 0.12 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 2pvy h ASP 758 CO -0.02 0.97 -0.00 -0.09 -2.88 0.00 0.00 179.24 177.21 2pvy h ARG 759 N 1.18 0.11 -1.00 0.28 2.43 -1.14 -2.02 114.38 114.22 2pvy h ARG 759 Ca 0.27 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2pvy h ARG 759 Cb 0.19 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2pvy h ARG 759 CO -0.03 0.40 0.66 0.82 -1.51 0.00 0.00 179.97 180.31 2pvy h ILE 760 N -0.19 1.24 -0.53 1.20 2.04 -0.95 -1.54 117.51 118.78 2pvy h ILE 760 Ca 0.02 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2pvy h ILE 760 Cb 0.35 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2pvy h ILE 760 CO 0.00 0.24 0.27 0.25 0.00 0.00 0.00 178.15 178.92 2pvy h LEU 761 N 1.34 0.69 0.12 1.44 5.85 -0.60 -2.52 115.31 121.62 2pvy h LEU 761 Ca 0.37 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2pvy h LEU 761 Cb -0.13 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.72 2pvy h LEU 761 CO -0.09 0.60 -0.06 0.74 -0.34 0.00 0.00 178.44 179.30 2pvy h THR 762 N 0.72 0.93 0.00 1.05 2.02 -0.87 -1.13 112.91 115.62 2pvy h THR 762 Ca 0.19 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2pvy h THR 762 Cb 0.09 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2pvy h THR 762 CO -0.03 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.08 2pvy n LEU 763 N -5.13 0.00 -0.53 2.58 4.77 -0.63 -5.12 117.00 112.95 2pvy n LEU 763 Ca -0.08 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 2pvy n LEU 763 Cb 0.12 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2pvy n LEU 763 CO 0.34 -0.14 0.46 0.41 -1.33 0.00 0.00 177.39 177.13