#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psq n PRO 469 N 0.00 -0.21 -3.67 1.96 -0.02 -1.26 -4.91 135.00 126.90 2psq n PRO 469 Ca 0.00 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 2psq n PRO 469 Cb 0.00 -1.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.90 2psq n PRO 469 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2psq s GLU 470 N -2.90 3.77 -0.50 -0.52 1.03 -1.26 -4.96 118.70 113.36 2psq s GLU 470 Ca 0.49 -0.42 0.03 0.00 0.03 0.00 0.00 54.97 55.10 2psq s GLU 470 Cb -0.19 -3.50 0.14 0.00 -0.80 0.00 0.00 34.13 29.78 2psq s GLU 470 CO 0.74 -0.20 0.28 0.34 -1.33 0.00 0.00 175.26 175.09 2psq s ASP 471 N 1.69 3.99 0.28 0.83 3.68 -1.26 -5.00 116.67 120.88 2psq s ASP 471 Ca 0.07 -2.95 0.02 0.00 2.13 0.00 0.00 52.55 51.81 2psq s ASP 471 Cb -0.16 -1.34 0.69 0.00 -1.45 0.00 0.00 42.92 40.66 2psq s ASP 471 CO 0.07 -0.23 1.66 -0.65 0.13 0.00 0.00 175.17 176.15 2psq h PRO 472 N 6.44 0.23 -0.64 4.34 0.11 -1.96 -1.70 132.00 138.83 2psq h PRO 472 Ca -0.01 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.22 2psq h PRO 472 Cb 0.89 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 2psq h PRO 472 CO 0.59 0.16 0.44 -0.22 -0.21 0.00 0.00 178.00 178.75 2psq h LYS 473 N 0.24 0.25 0.00 1.05 3.64 -2.03 -3.11 116.57 116.62 2psq h LYS 473 Ca 0.54 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2psq h LYS 473 Cb 1.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2psq h LYS 473 CO -0.62 0.17 -1.43 0.91 -2.27 0.00 0.00 179.45 176.21 2psq n TRP 474 N -4.44 0.00 -1.66 1.91 7.02 -0.80 -5.01 117.44 114.46 2psq n TRP 474 Ca 0.12 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.14 2psq n TRP 474 Cb 0.52 -0.23 -0.03 0.00 -2.42 0.00 0.00 31.31 29.15 2psq n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2psq n GLU 475 N -1.83 1.98 -4.74 -0.99 4.07 -0.71 -1.51 120.64 116.92 2psq n GLU 475 Ca -0.02 0.71 -0.25 0.00 -0.06 0.00 0.00 57.16 57.54 2psq n GLU 475 Cb 0.27 -2.39 -0.16 0.00 -0.06 0.00 0.00 31.44 29.10 2psq n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2psq s PHE 476 N 0.24 1.58 0.14 4.31 5.36 -0.31 -4.80 117.98 124.50 2psq s PHE 476 Ca 0.72 -0.47 -0.31 0.00 -0.96 0.00 0.00 56.93 55.91 2psq s PHE 476 Cb -0.68 -1.08 -0.10 0.00 -0.34 0.00 0.00 43.02 40.82 2psq s PHE 476 CO 0.46 -0.18 1.70 -1.25 -1.46 0.00 0.00 175.22 174.50 2psq s PRO 477 N 0.17 4.17 0.39 10.12 0.04 -1.26 -4.39 135.00 144.23 2psq s PRO 477 Ca -0.06 2.48 0.09 0.00 0.04 0.00 0.00 61.00 63.55 2psq s PRO 477 Cb -0.12 -3.39 0.87 0.00 0.04 0.00 0.00 34.50 31.90 2psq s PRO 477 CO 0.02 -0.74 1.96 0.00 0.04 0.00 0.00 177.00 178.28 2psq h ARG 478 N 7.77 0.59 0.00 4.56 3.08 -1.96 -1.87 114.38 126.54 2psq h ARG 478 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2psq h ARG 478 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2psq h ARG 478 CO 0.94 0.39 0.00 -0.40 -1.07 0.00 0.00 179.97 179.82 2psq n ASP 479 N -4.48 0.39 -1.57 7.04 5.75 -1.26 -2.35 116.55 120.07 2psq n ASP 479 Ca 0.11 0.59 0.09 0.00 -0.01 0.00 0.00 54.79 55.56 2psq n ASP 479 Cb 0.31 -0.67 0.35 0.00 -1.03 0.00 0.00 41.12 40.07 2psq n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2psq n LYS 480 N -1.92 3.71 -4.67 0.11 4.76 -0.70 -4.88 118.16 114.57 2psq n LYS 480 Ca 0.03 -2.76 -0.24 0.00 -2.87 0.00 0.00 58.31 52.47 2psq n LYS 480 Cb 0.24 -1.91 -0.16 0.00 -1.84 0.00 0.00 35.03 31.36 2psq n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2psq s LEU 481 N -1.85 1.80 -0.40 -0.35 2.96 -0.99 -0.86 118.68 119.00 2psq s LEU 481 Ca 0.49 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2psq s LEU 481 Cb 0.32 -0.84 0.12 0.00 0.50 0.00 0.00 46.19 46.29 2psq s LEU 481 CO 0.23 0.09 0.15 -0.89 -1.32 0.00 0.00 176.35 174.62 2psq s THR 482 N 0.29 1.76 0.26 3.68 2.01 -0.66 -4.98 115.64 117.99 2psq s THR 482 Ca -0.08 -2.37 -0.30 0.00 0.31 0.00 0.00 61.69 59.26 2psq s THR 482 Cb -0.12 -2.27 -0.14 0.00 0.01 0.00 0.00 72.50 69.98 2psq s THR 482 CO 0.02 -0.74 1.23 0.18 -0.69 0.00 0.00 174.62 174.63 2psq n LEU 483 N 3.98 2.53 0.00 4.42 4.77 -1.26 -2.53 117.00 128.91 2psq n LEU 483 Ca 0.04 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2psq n LEU 483 Cb 0.38 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2psq n LEU 483 CO 0.22 -0.89 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 2psq n GLY 484 N 1.62 5.90 3.76 -0.72 0.00 0.33 -4.94 105.19 111.15 2psq n GLY 484 Ca 0.10 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2psq n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2psq s LYS 485 N 1.71 3.11 0.46 1.61 -2.85 -1.26 -4.35 119.74 118.17 2psq s LYS 485 Ca 0.00 1.73 -0.24 0.00 -1.00 0.00 0.00 55.97 56.46 2psq s LYS 485 Cb 0.00 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.73 2psq s LYS 485 CO 0.00 -1.07 1.21 -2.30 0.10 0.00 0.00 175.35 173.29 2psq n PRO 486 N -1.51 1.69 -4.85 1.78 -0.02 -1.26 -0.79 135.00 130.04 2psq n PRO 486 Ca 0.13 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 2psq n PRO 486 Cb 0.50 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 2psq n PRO 486 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2psq s LEU 487 N -1.83 2.19 0.00 2.45 1.43 0.12 -4.76 118.68 118.28 2psq s LEU 487 Ca 0.65 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2psq s LEU 487 Cb -0.49 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2psq s LEU 487 CO 0.55 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.99 2psq n GLY 488 N 1.67 -1.61 0.11 -3.19 0.00 -1.26 -4.36 105.19 96.54 2psq n GLY 488 Ca -0.17 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 2psq n GLY 488 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2psq n GLU 489 N -0.19 0.70 -1.98 1.61 4.07 -1.26 -5.02 120.64 118.56 2psq n GLU 489 Ca 0.00 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 2psq n GLU 489 Cb 0.00 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 2psq n GLU 489 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2psq n GLY 490 N 1.77 0.91 0.06 8.31 0.00 -1.26 -5.03 105.19 109.95 2psq n GLY 490 Ca -0.24 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 2psq n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2psq n PHE 492 N -4.66 0.42 -3.87 0.00 3.72 -1.26 -5.02 117.46 106.79 2psq n PHE 492 Ca -0.07 -0.25 0.04 0.00 -0.05 0.00 0.00 57.45 57.12 2psq n PHE 492 Cb 0.31 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2psq n PHE 492 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2psq s GLY 493 N -1.35 -0.28 -0.17 1.37 0.00 -1.26 -4.93 107.32 100.70 2psq s GLY 493 Ca 0.33 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2psq s GLY 493 CO 0.27 4.30 -0.16 1.62 0.00 0.00 0.00 173.10 179.13 2psq s GLN 494 N -2.05 3.13 -0.09 2.90 0.74 -0.55 -4.36 119.66 119.38 2psq s GLN 494 Ca 0.26 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.92 2psq s GLN 494 Cb 0.02 -2.64 0.01 0.00 1.10 0.00 0.00 33.01 31.50 2psq s GLN 494 CO -0.03 -0.11 -0.15 0.08 -0.55 0.00 0.00 175.29 174.53 2psq s VAL 495 N 1.10 1.41 0.16 1.34 1.01 -1.26 -0.16 120.40 124.01 2psq s VAL 495 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2psq s VAL 495 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2psq s VAL 495 CO -0.06 0.42 -0.12 0.68 0.00 0.00 0.00 175.10 176.02 2psq s VAL 496 N 0.71 1.35 0.55 2.92 -7.23 -0.50 0.15 120.40 118.35 2psq s VAL 496 Ca -0.13 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 57.88 2psq s VAL 496 Cb -0.16 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 2psq s VAL 496 CO 0.03 -0.63 1.00 -0.32 -0.31 0.00 0.00 175.10 174.87 2psq s MET 497 N -3.46 3.83 0.11 4.82 -2.45 0.03 -0.91 119.30 121.27 2psq s MET 497 Ca 0.16 0.90 -0.25 0.00 -1.25 0.00 0.00 55.69 55.26 2psq s MET 497 Cb -0.00 -2.12 0.08 0.00 1.25 0.00 0.00 34.83 34.04 2psq s MET 497 CO 0.03 -0.38 0.73 0.00 1.05 0.00 0.00 175.02 176.45 2psq s ALA 498 N -2.78 -1.65 -0.26 4.11 0.00 0.05 0.12 121.76 121.36 2psq s ALA 498 Ca 0.58 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 2psq s ALA 498 Cb -0.10 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 2psq s ALA 498 CO 0.38 -0.78 0.02 -1.21 0.00 0.00 0.00 175.76 174.17 2psq s GLU 499 N -3.52 3.25 -0.28 0.00 0.41 -1.05 0.46 118.70 117.98 2psq s GLU 499 Ca 0.04 -0.73 -0.07 0.00 -0.41 0.00 0.00 54.97 53.80 2psq s GLU 499 Cb -0.01 -3.21 -0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2psq s GLU 499 CO -0.09 -0.32 0.07 0.00 -0.49 0.00 0.00 175.26 174.43 2psq s ALA 500 N 1.49 3.06 -0.37 5.21 0.00 0.13 -1.65 121.76 129.63 2psq s ALA 500 Ca 0.04 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.39 2psq s ALA 500 Cb -0.16 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.89 2psq s ALA 500 CO 0.00 -0.78 0.92 0.08 0.00 0.00 0.00 175.76 175.99 2psq s VAL 501 N 1.52 4.59 -0.16 0.00 1.01 -0.04 0.70 120.40 128.03 2psq s VAL 501 Ca 0.04 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2psq s VAL 501 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2psq s VAL 501 CO 0.02 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.19 2psq n GLY 502 N 4.40 0.41 0.22 4.51 0.00 0.27 -4.90 105.19 110.10 2psq n GLY 502 Ca 0.07 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.24 2psq n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2psq h ILE 503 N 0.00 0.78 -2.97 -0.61 6.09 -1.77 -3.34 117.51 115.69 2psq h ILE 503 Ca -0.04 -1.11 -0.72 0.00 -1.37 0.00 0.00 64.86 61.63 2psq h ILE 503 Cb 0.52 1.69 -0.21 0.00 0.47 0.00 0.00 36.82 39.28 2psq h ILE 503 CO 0.05 0.26 0.02 -0.62 -3.07 0.00 0.00 178.15 174.79 2psq s ASP 504 N -6.38 6.19 0.54 2.19 -1.08 -1.26 -4.94 116.67 111.93 2psq s ASP 504 Ca -0.01 -1.49 0.41 0.00 -0.52 0.00 0.00 52.55 50.94 2psq s ASP 504 Cb 0.12 -2.28 1.61 0.00 -1.46 0.00 0.00 42.92 40.91 2psq s ASP 504 CO 0.65 -1.03 1.70 0.07 0.52 0.00 0.00 175.17 177.08 2psq h LYS 505 N 9.10 0.02 0.00 4.34 2.10 -2.00 0.46 116.57 130.58 2psq h LYS 505 Ca -0.29 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2psq h LYS 505 Cb 1.09 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2psq h LYS 505 CO 1.07 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 178.29 2psq n ASP 506 N -4.12 0.43 -3.25 7.07 8.00 -1.26 -3.81 116.55 119.60 2psq n ASP 506 Ca 0.34 0.58 -0.25 0.00 0.71 0.00 0.00 54.79 56.17 2psq n ASP 506 Cb 1.56 -0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 41.91 2psq n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2psq n LYS 507 N -1.94 1.72 -0.05 -1.24 4.01 0.16 -4.98 118.16 115.84 2psq n LYS 507 Ca 0.04 -3.98 0.24 0.00 -0.51 0.00 0.00 58.31 54.10 2psq n LYS 507 Cb 0.28 -1.78 0.63 0.00 -0.51 0.00 0.00 35.03 33.65 2psq n LYS 507 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2psq h PRO 508 N 3.85 0.00 -0.18 1.97 0.11 -1.66 -0.98 132.00 135.12 2psq h PRO 508 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2psq h PRO 508 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2psq h PRO 508 CO 0.65 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 2psq n LYS 509 N -3.54 1.72 -3.52 1.05 4.76 -1.26 -3.87 118.16 113.49 2psq n LYS 509 Ca 0.15 -1.60 -0.38 0.00 -2.87 0.00 0.00 58.31 53.61 2psq n LYS 509 Cb 1.01 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.91 2psq n LYS 509 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2psq s GLU 510 N -0.95 3.96 -0.23 1.97 0.41 -0.37 -4.78 118.70 118.70 2psq s GLU 510 Ca 0.18 0.32 -0.18 0.00 -0.41 0.00 0.00 54.97 54.87 2psq s GLU 510 Cb 0.10 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 2psq s GLU 510 CO 0.14 0.58 0.51 0.00 -0.49 0.00 0.00 175.26 176.00 2psq s ALA 511 N -0.67 3.57 -0.14 5.21 0.00 -1.26 0.93 121.76 129.40 2psq s ALA 511 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2psq s ALA 511 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 2psq s ALA 511 CO 0.11 -0.60 -0.05 0.08 0.00 0.00 0.00 175.76 175.30 2psq s VAL 512 N 2.00 3.82 -0.10 0.00 1.01 0.22 -4.83 120.40 122.51 2psq s VAL 512 Ca 0.22 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2psq s VAL 512 Cb -0.15 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2psq s VAL 512 CO 0.09 0.51 1.33 -0.89 0.00 0.00 0.00 175.10 176.14 2psq s THR 513 N 0.21 4.09 0.37 3.92 2.01 -1.26 0.18 115.64 125.16 2psq s THR 513 Ca -0.03 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.37 2psq s THR 513 Cb -0.14 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2psq s THR 513 CO 0.03 -0.08 0.12 0.68 -0.69 0.00 0.00 174.62 174.69 2psq s VAL 514 N 3.14 0.65 -0.05 3.82 -7.23 0.17 -4.39 120.40 116.52 2psq s VAL 514 Ca 0.59 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 2psq s VAL 514 Cb -0.25 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2psq s VAL 514 CO 0.20 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.86 2psq s ALA 515 N -3.31 2.74 -0.11 1.32 0.00 -0.57 -0.77 121.76 121.06 2psq s ALA 515 Ca 0.29 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2psq s ALA 515 Cb 0.04 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2psq s ALA 515 CO 0.15 0.56 -0.16 0.08 0.00 0.00 0.00 175.76 176.40 2psq s VAL 516 N -0.77 1.52 -0.19 0.00 1.01 -0.08 -1.04 120.40 120.84 2psq s VAL 516 Ca 0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2psq s VAL 516 Cb -0.11 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2psq s VAL 516 CO 0.01 0.44 0.10 -0.54 0.00 0.00 0.00 175.10 175.11 2psq s LYS 517 N 0.93 4.07 0.31 2.72 1.02 -0.17 -1.41 119.74 127.21 2psq s LYS 517 Ca -0.08 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 2psq s LYS 517 Cb -0.15 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.84 2psq s LYS 517 CO -0.01 0.30 0.44 0.00 -0.92 0.00 0.00 175.35 175.16 2psq s MET 518 N 0.33 1.75 0.28 1.68 0.23 0.78 -1.01 119.30 123.35 2psq s MET 518 Ca 0.06 -1.63 -0.23 0.00 -1.03 0.00 0.00 55.69 52.86 2psq s MET 518 Cb -0.12 0.43 -0.09 0.00 -1.53 0.00 0.00 34.83 33.52 2psq s MET 518 CO -0.01 -0.72 0.85 -0.51 -2.03 0.00 0.00 175.02 172.60 2psq s LEU 519 N -3.18 4.33 0.95 0.18 1.43 -1.26 -1.49 118.68 119.64 2psq s LEU 519 Ca 0.30 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 2psq s LEU 519 Cb 0.00 -3.85 0.16 0.00 0.03 0.00 0.00 46.19 42.53 2psq s LEU 519 CO 0.17 -0.04 1.11 -0.54 0.23 0.00 0.00 176.35 177.29 2psq s LYS 520 N -2.07 0.84 0.42 1.70 1.02 -1.26 -4.70 119.74 115.69 2psq s LYS 520 Ca 0.48 0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.97 2psq s LYS 520 Cb -0.17 -1.79 0.91 0.00 -0.52 0.00 0.00 37.83 36.25 2psq s LYS 520 CO 0.22 -2.43 2.07 0.22 -0.92 0.00 0.00 175.35 174.51 2psq h ASP 521 N -1.67 0.42 -0.72 2.83 -0.00 -2.00 -2.72 116.42 112.56 2psq h ASP 521 Ca -0.52 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.03 56.08 2psq h ASP 521 Cb 1.33 -0.10 -0.24 0.00 -0.00 0.00 0.00 39.33 40.31 2psq h ASP 521 CO 0.60 0.30 0.24 -0.90 -0.00 0.00 0.00 179.24 179.48 2psq n ASP 522 N -4.48 4.10 -4.73 2.28 3.85 -1.26 -5.03 116.55 111.28 2psq n ASP 522 Ca 0.03 -3.74 -0.33 0.00 -0.71 0.00 0.00 54.79 50.04 2psq n ASP 522 Cb 0.07 -0.73 0.10 0.00 -1.35 0.00 0.00 41.12 39.21 2psq n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2psq s ALA 523 N -3.42 2.09 0.45 2.12 0.00 -1.03 -5.05 121.76 116.93 2psq s ALA 523 Ca 0.53 0.76 0.08 0.00 0.00 0.00 0.00 51.96 53.33 2psq s ALA 523 Cb 0.45 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 20.14 2psq s ALA 523 CO 0.03 -1.90 0.49 0.95 0.00 0.00 0.00 175.76 175.33 2psq s THR 524 N -2.17 2.62 0.23 0.00 -4.23 -1.26 -4.99 115.64 105.84 2psq s THR 524 Ca 0.72 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 2psq s THR 524 Cb -0.26 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 70.95 2psq s THR 524 CO 0.47 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.36 2psq h GLU 525 N 0.79 1.08 -0.19 3.99 4.81 -2.01 -1.85 114.58 121.20 2psq h GLU 525 Ca -0.39 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2psq h GLU 525 Cb 1.28 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2psq h GLU 525 CO 0.52 0.72 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.29 2psq h LYS 526 N 1.11 0.28 -0.59 1.92 3.11 -1.99 -1.68 116.57 118.74 2psq h LYS 526 Ca 0.32 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 2psq h LYS 526 Cb -0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.08 2psq h LYS 526 CO -0.09 0.31 0.20 -0.44 -2.81 0.00 0.00 179.45 176.63 2psq h ASP 527 N 0.28 0.84 -0.05 4.20 3.32 -1.73 -1.08 116.42 122.20 2psq h ASP 527 Ca 0.07 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2psq h ASP 527 Cb 0.20 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2psq h ASP 527 CO 0.00 0.81 0.02 0.25 -1.72 0.00 0.00 179.24 178.61 2psq h LEU 528 N 0.82 0.07 -1.63 1.55 5.85 -1.08 -0.61 115.31 120.27 2psq h LEU 528 Ca 0.19 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2psq h LEU 528 Cb 0.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2psq h LEU 528 CO -0.01 0.17 -0.13 0.77 -0.34 0.00 0.00 178.44 178.90 2psq h SER 529 N -0.05 0.00 0.00 1.25 4.64 -1.32 -1.11 113.55 116.96 2psq h SER 529 Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2psq h SER 529 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2psq h SER 529 CO -0.00 0.13 -0.71 0.44 -0.87 0.00 0.00 176.83 175.82 2psq h ASP 530 N 0.00 0.62 -0.74 4.97 5.19 -0.86 -1.67 116.42 123.93 2psq h ASP 530 Ca -0.00 -0.76 -0.04 0.00 -0.62 0.00 0.00 57.03 55.61 2psq h ASP 530 Cb 0.49 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 2psq h ASP 530 CO 0.02 1.30 0.29 0.25 -3.12 0.00 0.00 179.24 177.98 2psq h LEU 531 N 0.01 1.03 0.64 1.55 5.85 -0.70 0.27 115.31 123.97 2psq h LEU 531 Ca -0.09 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 2psq h LEU 531 Cb 1.41 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.17 2psq h LEU 531 CO 0.14 0.92 -0.31 0.58 -0.34 0.00 0.00 178.44 179.43 2psq h VAL 532 N 1.09 0.37 -0.75 1.05 2.07 -1.22 -0.63 116.25 118.23 2psq h VAL 532 Ca 0.25 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.89 2psq h VAL 532 Cb 0.22 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2psq h VAL 532 CO -0.02 0.00 0.36 0.28 0.02 0.00 0.00 177.57 178.21 2psq h SER 533 N -0.86 0.43 -0.96 0.57 0.02 -0.92 0.51 113.55 112.34 2psq h SER 533 Ca -0.09 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2psq h SER 533 Cb 0.66 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 2psq h SER 533 CO 0.14 0.22 0.63 -0.08 -1.14 0.00 0.00 176.83 176.61 2psq h GLU 534 N 0.57 1.23 -0.19 3.45 4.81 -0.22 -0.54 114.58 123.69 2psq h GLU 534 Ca 0.39 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2psq h GLU 534 Cb 0.48 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2psq h GLU 534 CO -0.32 0.81 0.06 1.98 -0.73 0.00 0.00 179.01 180.81 2psq h MET 535 N 1.27 0.30 -0.74 1.92 4.05 0.63 -2.13 114.93 120.23 2psq h MET 535 Ca 0.37 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2psq h MET 535 Cb -0.08 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 2psq h MET 535 CO -0.10 0.40 0.42 0.93 0.23 0.00 0.00 176.91 178.80 2psq h GLU 536 N 0.13 1.01 -0.48 0.39 4.39 -0.51 -2.03 114.58 117.48 2psq h GLU 536 Ca 0.06 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2psq h GLU 536 Cb 0.23 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2psq h GLU 536 CO -0.00 0.72 -0.14 0.52 -1.16 0.00 0.00 179.01 178.95 2psq h MET 537 N 1.02 0.91 0.00 2.33 2.86 -0.98 -2.42 114.93 118.65 2psq h MET 537 Ca 0.26 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2psq h MET 537 Cb -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2psq h MET 537 CO -0.05 0.99 -0.18 0.52 1.06 0.00 0.00 176.91 179.25 2psq h MET 538 N 0.81 0.00 -0.03 1.72 2.86 -0.83 -1.78 114.93 117.68 2psq h MET 538 Ca 0.12 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2psq h MET 538 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2psq h MET 538 CO 0.05 0.18 -0.52 0.87 1.06 0.00 0.00 176.91 178.55 2psq h LYS 539 N 0.00 0.07 0.00 1.72 1.57 -0.89 -3.00 116.57 116.04 2psq h LYS 539 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2psq h LYS 539 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2psq h LYS 539 CO 0.02 0.57 -0.06 0.52 -0.57 0.00 0.00 179.45 179.93 2psq h MET 540 N 0.05 0.00 -5.43 3.15 2.86 -1.13 -3.44 114.93 110.99 2psq h MET 540 Ca -0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2psq h MET 540 Cb 0.93 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.46 2psq h MET 540 CO 0.07 0.00 0.10 0.42 1.06 0.00 0.00 176.91 178.56 2psq s ILE 541 N -3.19 4.92 0.85 -1.22 1.01 -1.02 -5.04 121.20 117.52 2psq s ILE 541 Ca 0.08 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.17 2psq s ILE 541 Cb 0.07 -4.04 0.11 0.00 0.01 0.00 0.00 42.46 38.61 2psq s ILE 541 CO 0.66 -0.27 1.18 0.61 0.00 0.00 0.00 174.94 177.11 2psq n GLY 542 N 4.67 -0.16 3.73 6.18 0.00 -1.26 -4.89 105.19 113.45 2psq n GLY 542 Ca -0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2psq n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psq s LYS 543 N -4.29 4.16 -0.10 1.61 -0.14 -1.26 -5.00 119.74 114.71 2psq s LYS 543 Ca 0.71 2.52 -0.09 0.00 -1.36 0.00 0.00 55.97 57.75 2psq s LYS 543 Cb -0.27 -3.08 0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2psq s LYS 543 CO 0.53 -0.65 0.27 -1.58 -0.76 0.00 0.00 175.35 173.16 2psq s HIS 544 N 0.71 -0.30 0.27 3.18 5.04 -1.26 -5.05 115.29 117.87 2psq s HIS 544 Ca 0.69 0.73 0.00 0.00 -1.54 0.00 0.00 55.06 54.95 2psq s HIS 544 Cb -0.47 0.10 0.62 0.00 0.04 0.00 0.00 32.58 32.87 2psq s HIS 544 CO 0.38 -0.15 1.70 -0.22 -2.34 0.00 0.00 174.74 174.10 2psq h LYS 545 N 5.87 0.38 -1.35 2.88 3.64 -1.98 -2.46 116.57 123.55 2psq h LYS 545 Ca -0.27 -0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.38 2psq h LYS 545 Cb 1.19 -0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.63 2psq h LYS 545 CO 0.34 0.25 0.83 0.09 -2.27 0.00 0.00 179.45 178.69 2psq n ASN 546 N -5.05 7.45 -3.71 4.20 4.13 -1.26 -4.83 115.26 116.19 2psq n ASN 546 Ca 0.19 -3.80 -0.12 0.00 1.68 0.00 0.00 54.58 52.53 2psq n ASN 546 Cb 0.56 -0.97 -0.10 0.00 -1.54 0.00 0.00 39.78 37.73 2psq n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2psq s ILE 547 N -4.93 -0.01 -0.23 2.41 1.01 -0.93 -2.29 121.20 116.23 2psq s ILE 547 Ca 0.59 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 2psq s ILE 547 Cb 0.48 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 2psq s ILE 547 CO -0.16 0.02 1.60 -0.63 0.00 0.00 0.00 174.94 175.77 2psq s ILE 548 N 0.82 3.72 0.06 2.92 -1.09 -0.25 -4.64 121.20 122.73 2psq s ILE 548 Ca -0.05 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 2psq s ILE 548 Cb -0.06 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2psq s ILE 548 CO -0.06 -0.32 0.20 0.20 -1.23 0.00 0.00 174.94 173.73 2psq s ASN 549 N 4.20 6.28 0.23 3.58 0.01 -1.26 -4.91 114.94 123.08 2psq s ASN 549 Ca 0.71 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.81 2psq s ASN 549 Cb -0.24 -1.92 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 2psq s ASN 549 CO 0.29 0.18 1.19 -0.22 -1.51 0.00 0.00 177.10 177.03 2psq s LEU 550 N -2.46 4.47 -0.08 0.60 2.96 -1.26 -1.91 118.68 121.00 2psq s LEU 550 Ca 0.34 2.32 0.04 0.00 -0.22 0.00 0.00 54.13 56.61 2psq s LEU 550 Cb -0.13 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 2psq s LEU 550 CO 0.27 -0.34 -0.02 0.18 -1.32 0.00 0.00 176.35 175.12 2psq n LEU 551 N 1.92 1.28 0.00 -0.68 4.77 0.18 -4.92 117.00 119.54 2psq n LEU 551 Ca 0.02 -0.02 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2psq n LEU 551 Cb 0.44 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2psq n LEU 551 CO 0.56 0.39 0.49 0.61 -1.33 0.00 0.00 177.39 178.11 2psq n GLY 552 N 2.76 0.51 3.63 -0.72 0.00 -0.55 -4.99 105.19 105.83 2psq n GLY 552 Ca -0.14 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 2psq n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2psq s ALA 553 N -1.47 -1.79 -0.40 4.61 0.00 -0.57 -0.75 121.76 121.40 2psq s ALA 553 Ca 0.14 2.00 -0.08 0.00 0.00 0.00 0.00 51.96 54.02 2psq s ALA 553 Cb -0.00 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 22.01 2psq s ALA 553 CO 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 175.64 2psq n THR 555 N 4.88 0.00 -4.69 0.00 -2.24 -1.26 -1.71 114.28 109.27 2psq n THR 555 Ca -0.10 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 2psq n THR 555 Cb 0.43 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.59 2psq n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2psq s GLN 556 N -0.80 2.15 -0.97 -0.78 -1.52 -1.26 -4.67 119.66 111.81 2psq s GLN 556 Ca 0.04 -0.93 -0.12 0.00 -1.95 0.00 0.00 55.36 52.39 2psq s GLN 556 Cb 0.03 -2.23 0.01 0.00 -0.22 0.00 0.00 33.01 30.61 2psq s GLN 556 CO 0.10 0.55 0.67 -0.25 -0.25 0.00 0.00 175.29 176.11 2psq n ASP 557 N 1.65 -5.15 0.00 5.90 8.00 -1.26 -4.89 116.55 120.80 2psq n ASP 557 Ca -0.16 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2psq n ASP 557 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 2psq n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2psq n GLY 558 N -1.78 0.37 3.76 0.44 0.00 -1.26 -5.11 105.19 101.61 2psq n GLY 558 Ca -0.19 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 2psq n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2psq s PRO 559 N -1.43 3.61 0.07 1.61 0.04 -1.26 -4.93 135.00 132.72 2psq s PRO 559 Ca 0.00 2.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2psq s PRO 559 Cb 0.00 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2psq s PRO 559 CO 0.00 -0.77 1.36 -1.17 0.04 0.00 0.00 177.00 176.46 2psq s LEU 560 N -2.97 4.36 -0.12 -3.56 2.96 -1.26 -4.78 118.68 113.30 2psq s LEU 560 Ca 0.64 2.21 0.02 0.00 -0.22 0.00 0.00 54.13 56.78 2psq s LEU 560 Cb -0.37 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.76 2psq s LEU 560 CO 0.45 -0.64 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.35 2psq s TYR 561 N 1.46 2.30 -0.37 5.38 2.02 -0.69 -4.44 117.35 123.01 2psq s TYR 561 Ca 0.63 -1.11 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2psq s TYR 561 Cb -0.34 -1.60 0.06 0.00 -0.40 0.00 0.00 41.96 39.67 2psq s TYR 561 CO 0.29 -0.53 0.15 0.08 -1.57 0.00 0.00 175.55 173.97 2psq s VAL 562 N 0.87 3.81 -0.36 0.71 1.01 -0.18 -1.09 120.40 125.17 2psq s VAL 562 Ca -0.08 -1.32 -0.22 0.00 0.00 0.00 0.00 61.98 60.37 2psq s VAL 562 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2psq s VAL 562 CO -0.01 -0.32 0.70 -0.63 0.00 0.00 0.00 175.10 174.84 2psq s ILE 563 N 1.37 4.81 0.43 2.22 1.01 0.07 -1.00 121.20 130.12 2psq s ILE 563 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.40 2psq s ILE 563 Cb -0.21 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2psq s ILE 563 CO 0.02 -0.38 0.05 0.68 0.00 0.00 0.00 174.94 175.30 2psq s VAL 564 N 2.90 1.21 0.44 2.92 -7.23 -0.21 0.50 120.40 120.92 2psq s VAL 564 Ca 0.28 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 2psq s VAL 564 Cb -0.14 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 2psq s VAL 564 CO 0.16 0.00 1.24 -1.61 -0.31 0.00 0.00 175.10 174.58 2psq s GLU 565 N -3.80 3.80 0.14 4.82 2.02 -0.80 -1.52 118.70 123.35 2psq s GLU 565 Ca 0.23 1.99 -0.13 0.00 0.02 0.00 0.00 54.97 57.08 2psq s GLU 565 Cb 0.05 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.65 2psq s GLU 565 CO 0.12 -0.58 0.52 -0.47 0.02 0.00 0.00 175.26 174.86 2psq s TYR 566 N -1.38 3.59 -0.35 1.61 5.04 -1.26 -4.42 117.35 120.18 2psq s TYR 566 Ca 0.61 1.00 -0.00 0.00 -2.44 0.00 0.00 57.07 56.24 2psq s TYR 566 Cb -0.34 -2.32 0.12 0.00 0.35 0.00 0.00 41.96 39.76 2psq s TYR 566 CO 0.42 0.44 0.16 0.00 -1.34 0.00 0.00 175.55 175.23 2psq s ALA 567 N -1.47 1.53 0.40 3.97 0.00 -1.26 -4.91 121.76 120.02 2psq s ALA 567 Ca 0.37 -1.92 0.21 0.00 0.00 0.00 0.00 51.96 50.62 2psq s ALA 567 Cb -0.15 -1.68 1.19 0.00 0.00 0.00 0.00 23.12 22.49 2psq s ALA 567 CO 0.19 -1.85 1.70 0.66 0.00 0.00 0.00 175.76 176.46 2psq h SER 568 N 7.55 0.41 -0.08 0.00 4.64 -1.85 -2.76 113.55 121.45 2psq h SER 568 Ca -0.07 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2psq h SER 568 Cb 0.98 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2psq h SER 568 CO 0.44 -0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.65 2psq n LYS 569 N -4.74 1.56 0.00 4.77 5.02 -0.75 -4.97 118.16 119.05 2psq n LYS 569 Ca 0.30 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 2psq n LYS 569 Cb 1.06 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 2psq n LYS 569 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2psq n GLY 570 N 1.09 -2.22 3.77 0.72 0.00 -1.04 -4.76 105.19 102.75 2psq n GLY 570 Ca 0.17 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2psq n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psq s ASN 571 N -3.06 5.95 0.27 1.61 2.20 -1.26 -1.44 114.94 119.22 2psq s ASN 571 Ca 0.00 2.19 -0.01 0.00 -0.94 0.00 0.00 52.86 54.10 2psq s ASN 571 Cb 0.00 -2.59 0.46 0.00 -2.00 0.00 0.00 41.25 37.13 2psq s ASN 571 CO 0.00 -1.06 1.86 0.25 -2.94 0.00 0.00 177.10 175.21 2psq h LEU 572 N 1.55 0.97 0.34 3.54 5.85 0.17 -1.74 115.31 126.00 2psq h LEU 572 Ca -0.50 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2psq h LEU 572 Cb 1.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2psq h LEU 572 CO 0.58 0.58 -0.50 -0.09 -0.34 0.00 0.00 178.44 178.67 2psq h ARG 573 N 1.08 -0.85 -0.88 1.25 2.43 -1.81 0.31 114.38 115.91 2psq h ARG 573 Ca 0.46 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2psq h ARG 573 Cb 0.31 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2psq h ARG 573 CO -0.21 -0.57 0.56 0.93 -1.51 0.00 0.00 179.97 179.17 2psq h GLU 574 N -0.88 1.17 -0.62 0.20 3.07 -1.89 -0.72 114.58 114.91 2psq h GLU 574 Ca -0.04 -0.09 0.09 0.00 -0.50 0.00 0.00 59.36 58.82 2psq h GLU 574 Cb 0.80 -0.26 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 2psq h GLU 574 CO -0.15 0.79 0.26 -0.92 -1.40 0.00 0.00 179.01 177.60 2psq h TYR 575 N 1.19 0.46 -0.14 4.33 3.20 -0.71 -0.59 116.97 124.73 2psq h TYR 575 Ca 0.32 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 2psq h TYR 575 Cb -0.10 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2psq h TYR 575 CO -0.01 0.15 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.32 2psq h LEU 576 N 0.47 0.48 -1.40 2.82 3.38 0.14 -3.07 115.31 118.13 2psq h LEU 576 Ca 0.30 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2psq h LEU 576 Cb 0.34 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2psq h LEU 576 CO -0.27 0.95 0.45 0.03 0.09 0.00 0.00 178.44 179.69 2psq h ARG 577 N 0.03 0.73 0.00 1.13 3.08 -0.88 -1.06 114.38 117.42 2psq h ARG 577 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2psq h ARG 577 Cb 0.87 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2psq h ARG 577 CO 0.06 0.48 -0.07 0.00 -1.07 0.00 0.00 179.97 179.38 2psq h ALA 578 N 1.62 1.05 -0.57 0.04 0.00 -1.06 -2.78 119.26 117.55 2psq h ALA 578 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2psq h ALA 578 Cb 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2psq h ALA 578 CO -0.09 0.08 0.03 0.54 0.00 0.00 0.00 179.25 179.81 2psq n ARG 579 N -3.24 4.64 -2.82 0.00 5.12 -0.41 -4.66 116.66 115.29 2psq n ARG 579 Ca -0.00 -3.14 -0.39 0.00 -1.93 0.00 0.00 57.85 52.38 2psq n ARG 579 Cb 0.29 -2.24 -0.06 0.00 -1.16 0.00 0.00 32.46 29.30 2psq n ARG 579 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2psq s ARG 580 N -2.81 4.70 0.72 5.56 0.52 -1.05 -4.12 118.95 122.47 2psq s ARG 580 Ca 0.54 1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 56.95 2psq s ARG 580 Cb 0.42 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.79 2psq s ARG 580 CO 0.15 0.46 1.20 -2.14 0.02 0.00 0.00 175.30 174.99 2psq s PRO 581 N -1.44 2.25 0.00 3.54 0.02 -1.26 -5.00 135.00 133.10 2psq s PRO 581 Ca 0.42 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2psq s PRO 581 Cb -0.23 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2psq s PRO 581 CO 0.28 -1.75 0.34 -2.30 -0.33 0.00 0.00 177.00 173.24 2psq n PRO 582 N -2.62 0.00 0.00 5.54 -0.02 -1.26 -5.19 135.00 131.45 2psq n PRO 582 Ca 0.13 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2psq n PRO 582 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 2psq n PRO 582 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2psq n PRO 594 N 2.68 0.00 -0.10 0.52 -0.04 -1.26 -5.32 135.00 131.48 2psq n PRO 594 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2psq n PRO 594 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2psq n PRO 594 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2psq n GLU 595 N 0.00 0.00 -2.49 0.54 0.28 -1.26 -4.79 120.64 112.92 2psq n GLU 595 Ca 0.00 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.16 56.46 2psq n GLU 595 Cb 0.00 -0.09 -0.02 0.00 1.43 0.00 0.00 31.44 32.76 2psq n GLU 595 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2psq s GLU 596 N 0.00 4.12 0.62 3.44 0.41 -1.26 -4.85 118.70 121.18 2psq s GLU 596 Ca 0.00 1.41 -0.17 0.00 -0.41 0.00 0.00 54.97 55.80 2psq s GLU 596 Cb 0.00 -3.77 -0.11 0.00 -1.78 0.00 0.00 34.13 28.47 2psq s GLU 596 CO 0.00 -0.84 0.11 1.04 -0.49 0.00 0.00 175.26 175.07 2psq n GLN 597 N 6.81 0.19 -3.27 1.61 6.02 -1.26 -4.91 117.38 122.57 2psq n GLN 597 Ca 0.14 0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.82 2psq n GLN 597 Cb 0.46 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.31 2psq n GLN 597 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2psq s MET 598 N -1.76 4.19 0.40 -1.09 -1.94 -1.26 -5.08 119.30 112.75 2psq s MET 598 Ca 0.60 0.72 0.02 0.00 -1.71 0.00 0.00 55.69 55.32 2psq s MET 598 Cb -0.42 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.21 2psq s MET 598 CO 0.63 0.62 0.59 0.95 -0.01 0.00 0.00 175.02 177.80 2psq s THR 599 N -1.15 4.31 0.19 2.05 -4.23 -1.26 -4.95 115.64 110.59 2psq s THR 599 Ca 0.30 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 2psq s THR 599 Cb -0.19 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.19 2psq s THR 599 CO 0.19 -0.35 1.74 0.15 -0.54 0.00 0.00 174.62 175.81 2psq h PHE 600 N 0.60 0.28 -0.92 3.99 3.57 -1.98 -0.13 116.94 122.35 2psq h PHE 600 Ca -0.47 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.14 2psq h PHE 600 Cb 1.24 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 2psq h PHE 600 CO 0.46 0.07 0.57 -0.22 -2.23 0.00 0.00 178.31 176.96 2psq h LYS 601 N 0.33 0.96 -0.36 1.11 3.64 -1.94 -0.87 116.57 119.43 2psq h LYS 601 Ca 0.25 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2psq h LYS 601 Cb 0.29 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2psq h LYS 601 CO -0.27 0.63 0.17 -0.44 -2.27 0.00 0.00 179.45 177.27 2psq h ASP 602 N 0.98 0.24 -0.70 4.20 3.32 -1.43 0.24 116.42 123.28 2psq h ASP 602 Ca 0.43 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.46 2psq h ASP 602 Cb 0.30 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2psq h ASP 602 CO -0.22 0.18 0.28 -0.07 -1.72 0.00 0.00 179.24 177.70 2psq h LEU 603 N 0.35 0.97 -0.41 1.55 3.38 -0.41 0.05 115.31 120.79 2psq h LEU 603 Ca 0.15 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2psq h LEU 603 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2psq h LEU 603 CO -0.12 0.87 -0.35 0.58 0.09 0.00 0.00 178.44 179.52 2psq h VAL 604 N 1.00 1.27 -0.40 1.22 2.07 -0.81 -1.36 116.25 119.25 2psq h VAL 604 Ca 0.23 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2psq h VAL 604 Cb 0.21 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2psq h VAL 604 CO -0.02 0.51 0.23 -1.28 0.02 0.00 0.00 177.57 177.03 2psq h SER 605 N 0.79 0.49 -0.34 0.57 0.87 -0.25 0.59 113.55 116.26 2psq h SER 605 Ca 0.07 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2psq h SER 605 Cb 0.94 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 2psq h SER 605 CO 0.09 0.42 0.11 0.00 -0.53 0.00 0.00 176.83 176.92 2psq h THR 607 N 0.25 1.25 -0.43 0.00 2.02 -0.70 -2.71 112.91 112.60 2psq h THR 607 Ca 0.16 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2psq h THR 607 Cb 0.14 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2psq h THR 607 CO -0.17 0.29 0.14 0.22 0.37 0.00 0.00 175.52 176.37 2psq h TYR 608 N 1.16 0.68 -0.99 3.16 3.20 -0.23 -0.81 116.97 123.13 2psq h TYR 608 Ca 0.28 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2psq h TYR 608 Cb 0.08 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2psq h TYR 608 CO 0.01 0.62 0.66 1.96 -1.64 0.00 0.00 178.16 179.76 2psq h GLN 609 N 0.55 1.27 -0.09 1.82 4.20 -0.95 -1.31 115.11 120.60 2psq h GLN 609 Ca 0.14 -0.08 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 2psq h GLN 609 Cb 0.25 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2psq h GLN 609 CO -0.01 0.84 -0.69 -0.07 -0.67 0.00 0.00 178.83 178.23 2psq h LEU 610 N 1.31 0.48 -0.70 1.46 3.38 -1.29 -2.37 115.31 117.58 2psq h LEU 610 Ca 0.38 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2psq h LEU 610 Cb -0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2psq h LEU 610 CO -0.10 1.03 0.35 0.00 0.09 0.00 0.00 178.44 179.81 2psq h ALA 611 N 0.96 0.90 -0.77 1.53 0.00 -0.51 -1.97 119.26 119.40 2psq h ALA 611 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2psq h ALA 611 Cb 1.26 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2psq h ALA 611 CO 0.12 0.45 0.47 0.00 0.00 0.00 0.00 179.25 180.29 2psq h ARG 612 N 0.97 1.05 -0.49 0.00 2.47 -1.14 -0.06 114.38 117.18 2psq h ARG 612 Ca 0.24 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 2psq h ARG 612 Cb 0.09 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 2psq h ARG 612 CO -0.03 0.73 0.27 0.78 0.56 0.00 0.00 179.97 182.28 2psq h GLY 613 N 1.06 0.72 1.94 0.04 0.00 -1.05 -1.55 103.07 104.23 2psq h GLY 613 Ca 0.28 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 2psq h GLY 613 CO -0.05 0.31 -0.48 -0.33 0.00 0.00 0.00 176.54 175.99 2psq h MET 614 N 0.64 0.07 -0.18 4.80 2.86 -1.05 0.15 114.93 122.23 2psq h MET 614 Ca 0.17 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2psq h MET 614 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2psq h MET 614 CO -0.03 0.54 0.03 1.49 1.06 0.00 0.00 176.91 180.00 2psq h GLU 615 N 0.06 0.29 -0.34 1.72 4.81 -0.64 0.28 114.58 120.76 2psq h GLU 615 Ca 0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2psq h GLU 615 Cb 0.88 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2psq h GLU 615 CO 0.07 0.46 0.14 -0.92 -0.73 0.00 0.00 179.01 178.03 2psq h TYR 616 N 0.08 0.52 -0.62 0.92 5.03 -1.10 -1.29 116.97 120.50 2psq h TYR 616 Ca 0.05 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.40 2psq h TYR 616 Cb 0.31 -0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.37 2psq h TYR 616 CO 0.02 0.48 0.29 1.25 -1.32 0.00 0.00 178.16 178.88 2psq h LEU 617 N 0.41 0.37 -1.31 2.82 5.85 -0.83 -0.40 115.31 122.23 2psq h LEU 617 Ca 0.11 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2psq h LEU 617 Cb 0.18 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2psq h LEU 617 CO -0.01 0.23 -0.13 0.00 -0.34 0.00 0.00 178.44 178.19 2psq h ALA 618 N 1.38 1.43 0.00 1.25 0.00 -0.60 -1.14 119.26 121.58 2psq h ALA 618 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2psq h ALA 618 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2psq h ALA 618 CO -0.25 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.06 2psq h SER 619 N 0.30 0.00 -0.54 0.00 4.64 0.08 -2.08 113.55 115.94 2psq h SER 619 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2psq h SER 619 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2psq h SER 619 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2psq n GLN 620 N -2.30 2.29 -1.33 4.77 1.13 -0.48 -4.92 117.38 116.54 2psq n GLN 620 Ca 0.03 -2.00 -0.11 0.00 -1.94 0.00 0.00 57.00 52.98 2psq n GLN 620 Cb 0.31 -1.44 -0.05 0.00 0.11 0.00 0.00 30.24 29.17 2psq n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2psq n LYS 621 N 1.14 -0.88 -4.20 -1.09 5.02 -0.78 -4.95 118.16 112.41 2psq n LYS 621 Ca 0.19 0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 57.01 2psq n LYS 621 Cb 0.48 -4.89 -0.11 0.00 -0.02 0.00 0.00 35.03 30.50 2psq n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2psq s ILE 623 N 0.21 4.37 -0.06 0.00 -4.36 -0.36 -4.00 121.20 116.99 2psq s ILE 623 Ca 0.01 -0.18 -0.26 0.00 -0.26 0.00 0.00 60.65 59.96 2psq s ILE 623 Cb -0.13 -2.97 -0.22 0.00 1.25 0.00 0.00 42.46 40.39 2psq s ILE 623 CO 0.01 0.44 1.09 -0.74 0.24 0.00 0.00 174.94 175.98 2psq h HIS 624 N 7.14 0.06 0.00 1.37 -0.00 -1.92 -1.26 115.15 120.54 2psq h HIS 624 Ca -0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2psq h HIS 624 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2psq h HIS 624 CO 0.58 0.72 0.00 0.54 -0.00 0.00 0.00 177.93 179.77 2psq n ARG 625 N -4.71 0.00 -2.49 5.26 1.74 -1.26 -2.88 116.66 112.31 2psq n ARG 625 Ca -0.09 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 2psq n ARG 625 Cb 0.36 -2.12 0.04 0.00 -1.02 0.00 0.00 32.46 29.72 2psq n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2psq n ASP 626 N 0.00 3.00 -4.68 0.55 4.64 -1.26 -4.84 116.55 113.96 2psq n ASP 626 Ca 0.00 -2.76 -0.42 0.00 -1.38 0.00 0.00 54.79 50.23 2psq n ASP 626 Cb 0.00 -0.42 -0.03 0.00 -1.04 0.00 0.00 41.12 39.63 2psq n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2psq s LEU 627 N -3.72 4.34 -0.11 -2.67 2.96 -1.26 -4.81 118.68 113.42 2psq s LEU 627 Ca 0.37 2.33 -0.31 0.00 -0.22 0.00 0.00 54.13 56.30 2psq s LEU 627 Cb 0.36 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.61 2psq s LEU 627 CO -0.01 -0.84 1.02 0.00 -1.32 0.00 0.00 176.35 175.20 2psq s ALA 628 N 2.82 -1.93 0.31 5.97 0.00 -1.26 -4.80 121.76 122.86 2psq s ALA 628 Ca 0.71 1.36 0.01 0.00 0.00 0.00 0.00 51.96 54.04 2psq s ALA 628 Cb -0.36 -0.11 0.56 0.00 0.00 0.00 0.00 23.12 23.21 2psq s ALA 628 CO 0.30 -0.54 1.91 0.00 0.00 0.00 0.00 175.76 177.43 2psq h ALA 629 N 2.15 1.54 0.00 0.00 0.00 -1.93 0.82 119.26 121.85 2psq h ALA 629 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2psq h ALA 629 Cb 1.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2psq h ALA 629 CO 0.28 0.32 0.00 0.07 0.00 0.00 0.00 179.25 179.92 2psq h ARG 630 N 0.99 0.00 -0.58 0.00 0.11 -1.94 -1.72 114.38 111.24 2psq h ARG 630 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2psq h ARG 630 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2psq h ARG 630 CO -0.15 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.01 2psq n ASN 631 N -2.94 4.75 -4.38 0.08 5.03 0.28 -4.79 115.26 113.30 2psq n ASN 631 Ca -0.02 -2.56 -0.32 0.00 0.87 0.00 0.00 54.58 52.55 2psq n ASN 631 Cb 0.13 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.17 2psq n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2psq s VAL 632 N -2.05 2.70 0.14 2.41 1.01 -0.66 -0.27 120.40 123.69 2psq s VAL 632 Ca 0.49 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.74 2psq s VAL 632 Cb 0.33 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2psq s VAL 632 CO 0.21 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.93 2psq s LEU 633 N -0.29 2.65 -0.10 3.92 1.43 0.21 0.48 118.68 126.98 2psq s LEU 633 Ca 0.01 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2psq s LEU 633 Cb -0.13 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2psq s LEU 633 CO 0.03 0.16 -0.21 0.54 0.23 0.00 0.00 176.35 177.09 2psq s VAL 634 N -1.32 1.85 1.25 -1.59 0.11 -0.52 -0.35 120.40 119.82 2psq s VAL 634 Ca 0.19 -0.89 -0.21 0.00 -2.93 0.00 0.00 61.98 58.14 2psq s VAL 634 Cb -0.10 -1.61 0.31 0.00 -1.53 0.00 0.00 36.38 33.45 2psq s VAL 634 CO 0.10 0.51 1.11 0.42 -3.33 0.00 0.00 175.10 173.91 2psq s THR 635 N 0.48 1.50 0.50 5.04 -4.23 -0.39 -1.81 115.64 116.73 2psq s THR 635 Ca -0.16 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.57 2psq s THR 635 Cb -0.17 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.47 2psq s THR 635 CO 0.06 0.00 2.12 -0.08 -0.54 0.00 0.00 174.62 176.19 2psq h GLU 636 N -2.75 0.00 -0.90 3.99 4.57 -1.91 -1.53 114.58 116.05 2psq h GLU 636 Ca -0.42 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.31 2psq h GLU 636 Cb 1.28 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.61 2psq h GLU 636 CO 0.28 0.08 0.53 0.09 -1.18 0.00 0.00 179.01 178.81 2psq n ASN 637 N -4.07 3.77 -3.85 1.04 3.02 -1.26 -4.93 115.26 108.99 2psq n ASN 637 Ca -0.03 -3.57 -0.30 0.00 -0.03 0.00 0.00 54.58 50.65 2psq n ASN 637 Cb 0.16 -0.81 0.02 0.00 -0.61 0.00 0.00 39.78 38.55 2psq n ASN 637 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2psq n ASN 638 N -1.01 -4.80 -4.73 6.41 3.02 -0.57 -4.96 115.26 108.61 2psq n ASN 638 Ca 0.55 -0.73 -0.38 0.00 -0.03 0.00 0.00 54.58 53.98 2psq n ASN 638 Cb 1.58 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 36.85 2psq n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2psq s VAL 639 N -3.26 5.14 -0.13 2.41 1.01 -1.26 -4.82 120.40 119.48 2psq s VAL 639 Ca 0.64 1.02 -0.23 0.00 0.00 0.00 0.00 61.98 63.41 2psq s VAL 639 Cb -0.32 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2psq s VAL 639 CO 0.79 0.34 0.70 -0.04 0.00 0.00 0.00 175.10 176.89 2psq s MET 640 N 0.46 4.33 -0.08 2.72 1.00 -1.26 -1.26 119.30 125.21 2psq s MET 640 Ca 0.27 0.81 0.01 0.00 0.00 0.00 0.00 55.69 56.78 2psq s MET 640 Cb -0.16 -3.52 0.02 0.00 0.00 0.00 0.00 34.83 31.17 2psq s MET 640 CO 0.12 -0.12 -0.08 0.15 0.00 0.00 0.00 175.02 175.08 2psq s LYS 641 N 1.47 1.43 0.07 2.03 1.02 0.52 -4.41 119.74 121.86 2psq s LYS 641 Ca 0.34 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 2psq s LYS 641 Cb -0.17 -1.36 -0.07 0.00 -0.52 0.00 0.00 37.83 35.71 2psq s LYS 641 CO 0.14 -0.13 1.40 0.42 -0.92 0.00 0.00 175.35 176.26 2psq s ILE 642 N 1.19 3.49 0.12 2.17 1.01 -0.97 -0.62 121.20 127.59 2psq s ILE 642 Ca -0.05 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.61 2psq s ILE 642 Cb -0.14 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 2psq s ILE 642 CO -0.02 0.04 0.04 0.00 0.00 0.00 0.00 174.94 175.00 2psq n ALA 643 N 4.57 0.16 -3.11 9.38 0.00 0.63 -1.09 120.51 131.04 2psq n ALA 643 Ca 0.12 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 2psq n ALA 643 Cb 0.43 0.39 0.02 0.00 0.00 0.00 0.00 19.45 20.29 2psq n ALA 643 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2psq n ASP 644 N -1.78 -6.99 -1.48 0.00 10.43 -1.26 -4.81 116.55 110.67 2psq n ASP 644 Ca -0.02 0.26 -0.02 0.00 2.57 0.00 0.00 54.79 57.57 2psq n ASP 644 Cb 0.18 -3.92 0.20 0.00 1.84 0.00 0.00 41.12 39.42 2psq n ASP 644 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2psq n PHE 645 N -0.27 1.47 0.25 1.24 3.01 -1.26 -4.51 117.46 117.39 2psq n PHE 645 Ca 0.04 -0.73 0.15 0.00 1.01 0.00 0.00 57.45 57.92 2psq n PHE 645 Cb 0.55 -0.46 0.85 0.00 -0.01 0.00 0.00 39.48 40.41 2psq n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2psq h GLY 646 N 3.68 0.00 -0.42 1.37 0.00 -1.91 -2.41 103.07 103.39 2psq h GLY 646 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2psq h GLY 646 CO 0.42 0.00 -0.18 1.04 0.00 0.00 0.00 176.54 177.82 2psq n LEU 647 N -3.91 1.16 -4.75 3.11 4.77 -1.26 -4.82 117.00 111.31 2psq n LEU 647 Ca -0.01 -0.77 -0.38 0.00 -0.03 0.00 0.00 56.01 54.82 2psq n LEU 647 Cb 0.20 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2psq n LEU 647 CO 0.28 0.24 0.98 0.00 -1.33 0.00 0.00 177.39 177.55 2psq s ALA 648 N -1.24 2.80 0.06 -1.18 0.00 -0.91 -4.77 121.76 116.51 2psq s ALA 648 Ca 0.08 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 2psq s ALA 648 Cb 0.07 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2psq s ALA 648 CO 0.22 -1.36 -0.02 1.03 0.00 0.00 0.00 175.76 175.63 2psq s ARG 649 N -2.93 0.65 0.27 0.00 1.81 -0.48 -5.00 118.95 113.27 2psq s ARG 649 Ca 0.72 -1.25 -0.26 0.00 -1.72 0.00 0.00 55.73 53.22 2psq s ARG 649 Cb -0.40 0.21 -0.09 0.00 -0.45 0.00 0.00 34.95 34.22 2psq s ARG 649 CO 0.47 -0.13 0.89 0.34 -0.68 0.00 0.00 175.30 176.19 2psq s ASP 650 N -2.94 7.37 0.36 0.23 -1.08 -1.26 -1.23 116.67 118.13 2psq s ASP 650 Ca 0.09 1.77 0.16 0.00 -0.52 0.00 0.00 52.55 54.05 2psq s ASP 650 Cb 0.08 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 40.04 2psq s ASP 650 CO -0.09 0.03 1.73 -0.29 0.52 0.00 0.00 175.17 177.08 2psq h ILE 651 N 2.84 0.47 -0.12 4.11 6.09 -0.50 0.25 117.51 130.65 2psq h ILE 651 Ca -0.47 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2psq h ILE 651 Cb 1.20 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.48 2psq h ILE 651 CO 0.66 0.08 0.00 0.59 -3.07 0.00 0.00 178.15 176.41 2psq n ASN 652 N -4.78 0.84 -2.45 2.19 3.02 -1.26 -4.15 115.26 108.67 2psq n ASN 652 Ca 0.28 -1.78 -0.29 0.00 -0.03 0.00 0.00 54.58 52.76 2psq n ASN 652 Cb 0.89 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.99 2psq n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2psq n ASN 653 N -0.14 5.44 -4.12 6.41 4.05 0.90 -4.99 115.26 122.82 2psq n ASN 653 Ca 0.10 -3.75 -0.27 0.00 0.45 0.00 0.00 54.58 51.11 2psq n ASN 653 Cb 0.16 -0.57 -0.17 0.00 1.23 0.00 0.00 39.78 40.44 2psq n ASN 653 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2psq s ILE 654 N -5.21 1.49 -1.18 -1.44 -1.09 -1.26 -4.71 121.20 107.81 2psq s ILE 654 Ca 0.50 -0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 58.02 2psq s ILE 654 Cb 0.42 -1.31 0.08 0.00 -1.58 0.00 0.00 42.46 40.07 2psq s ILE 654 CO -0.17 0.43 1.57 -1.81 -1.23 0.00 0.00 174.94 173.73 2psq s ASP 655 N 0.37 6.75 0.36 3.58 1.01 -1.26 -4.98 116.67 122.49 2psq s ASP 655 Ca -0.12 -2.19 -0.27 0.00 0.71 0.00 0.00 52.55 50.68 2psq s ASP 655 Cb -0.15 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 2psq s ASP 655 CO 0.05 -1.21 1.25 -1.22 0.21 0.00 0.00 175.17 174.25 2psq n TYR 656 N 8.07 2.14 -0.83 4.23 4.01 -1.26 -2.78 117.16 130.74 2psq n TYR 656 Ca 0.41 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.70 2psq n TYR 656 Cb 0.47 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 37.11 2psq n TYR 656 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2psq n TYR 657 N 0.19 0.00 -2.87 -0.72 0.53 -0.98 -4.97 117.16 108.34 2psq n TYR 657 Ca 0.06 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.53 2psq n TYR 657 Cb 0.37 -1.32 -0.05 0.00 -1.03 0.00 0.00 39.34 37.30 2psq n TYR 657 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2psq s LYS 658 N -1.15 4.60 0.62 -0.72 2.47 -1.12 -4.93 119.74 119.52 2psq s LYS 658 Ca 0.00 1.25 0.30 0.00 -1.56 0.00 0.00 55.97 55.95 2psq s LYS 658 Cb 0.00 -3.35 1.61 0.00 -1.46 0.00 0.00 37.83 34.63 2psq s LYS 658 CO 0.00 0.30 1.97 1.57 0.16 0.00 0.00 175.35 179.35 2psq h LYS 659 N 5.42 0.00 -0.01 4.03 2.10 -1.93 -1.01 116.57 125.17 2psq h LYS 659 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2psq h LYS 659 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2psq h LYS 659 CO 0.71 0.00 -0.44 0.25 -2.00 0.00 0.00 179.45 177.97 2psq n THR 660 N -3.41 0.00 -2.16 0.07 -2.24 -1.26 -4.88 114.28 100.40 2psq n THR 660 Ca 0.03 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2psq n THR 660 Cb 0.46 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 2psq n THR 660 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2psq s THR 661 N -2.69 3.04 -0.40 4.28 2.01 -0.39 -2.71 115.64 118.78 2psq s THR 661 Ca 0.18 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2psq s THR 661 Cb 0.18 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2psq s THR 661 CO 0.62 0.14 0.00 0.59 -0.69 0.00 0.00 174.62 175.27 2psq n ASN 662 N 2.43 -4.48 0.05 3.53 3.02 -1.26 -4.85 115.26 113.70 2psq n ASN 662 Ca 0.06 0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.80 2psq n ASN 662 Cb 0.42 -2.31 0.41 0.00 -0.61 0.00 0.00 39.78 37.69 2psq n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2psq n GLY 663 N -1.17 -1.20 1.04 7.41 0.00 -1.10 -3.09 105.19 107.08 2psq n GLY 663 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2psq n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psq n ARG 664 N -1.79 3.25 -3.67 1.61 5.12 -1.26 -4.99 116.66 114.93 2psq n ARG 664 Ca 0.04 -2.71 -0.35 0.00 -1.93 0.00 0.00 57.85 52.89 2psq n ARG 664 Cb 0.23 -1.77 -0.08 0.00 -1.16 0.00 0.00 32.46 29.68 2psq n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2psq s LEU 665 N -2.27 4.22 -0.21 0.55 1.43 -1.18 -5.02 118.68 116.21 2psq s LEU 665 Ca 0.41 0.32 -0.34 0.00 -1.03 0.00 0.00 54.13 53.48 2psq s LEU 665 Cb 0.30 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 44.23 2psq s LEU 665 CO 0.13 0.16 2.02 -2.65 0.23 0.00 0.00 176.35 176.24 2psq n PRO 666 N 3.51 1.72 -0.28 1.29 -0.02 -1.26 -4.84 135.00 135.12 2psq n PRO 666 Ca -0.15 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2psq n PRO 666 Cb 0.52 -2.63 0.33 0.00 -0.02 0.00 0.00 33.50 31.70 2psq n PRO 666 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2psq h VAL 667 N 6.19 0.91 0.00 -1.45 -1.51 -1.95 -2.12 116.25 116.32 2psq h VAL 667 Ca -0.41 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2psq h VAL 667 Cb 1.29 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2psq h VAL 667 CO 0.97 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 177.75 2psq n LYS 668 N -4.55 0.08 0.00 5.19 5.02 -1.26 -1.62 118.16 121.02 2psq n LYS 668 Ca 0.16 0.24 0.02 0.00 -2.02 0.00 0.00 58.31 56.71 2psq n LYS 668 Cb 0.37 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2psq n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2psq n TRP 669 N -1.39 0.00 -2.76 2.13 8.01 -0.82 -4.97 117.44 117.64 2psq n TRP 669 Ca 0.04 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.83 2psq n TRP 669 Cb 0.11 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.36 2psq n TRP 669 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2psq s MET 670 N -0.61 4.75 0.39 -0.99 -1.94 -0.64 -4.02 119.30 116.24 2psq s MET 670 Ca 0.04 1.43 -0.25 0.00 -1.71 0.00 0.00 55.69 55.20 2psq s MET 670 Cb 0.03 -3.33 -0.09 0.00 2.01 0.00 0.00 34.83 33.46 2psq s MET 670 CO 0.08 0.37 1.12 0.00 -0.01 0.00 0.00 175.02 176.58 2psq s ALA 671 N -0.58 3.13 0.25 3.03 0.00 -1.26 -4.94 121.76 121.39 2psq s ALA 671 Ca 0.43 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 2psq s ALA 671 Cb -0.24 -3.34 0.43 0.00 0.00 0.00 0.00 23.12 19.97 2psq s ALA 671 CO 0.30 -0.40 1.80 -1.35 0.00 0.00 0.00 175.76 176.11 2psq h PRO 672 N 2.64 0.74 0.00 0.00 0.11 -1.96 -2.43 132.00 131.10 2psq h PRO 672 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 2psq h PRO 672 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2psq h PRO 672 CO 0.63 0.49 -0.15 1.05 -0.21 0.00 0.00 178.00 179.81 2psq h GLU 673 N 0.76 0.00 -0.34 1.05 9.09 -1.92 -1.02 114.58 122.20 2psq h GLU 673 Ca 0.42 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.85 2psq h GLU 673 Cb 0.43 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 2psq h GLU 673 CO -0.27 0.15 0.23 0.00 0.05 0.00 0.00 179.01 179.16 2psq h ALA 674 N 1.85 1.87 0.00 1.06 0.00 -1.54 0.26 119.26 122.77 2psq h ALA 674 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 2psq h ALA 674 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2psq h ALA 674 CO 0.02 0.09 -1.50 -0.11 0.00 0.00 0.00 179.25 177.76 2psq n LEU 675 N -4.49 1.88 0.19 0.00 7.94 -0.86 -2.80 117.00 118.86 2psq n LEU 675 Ca 0.03 0.41 0.04 0.00 -1.11 0.00 0.00 56.01 55.38 2psq n LEU 675 Cb 0.14 -0.93 0.38 0.00 0.53 0.00 0.00 43.42 43.55 2psq n LEU 675 CO 0.35 0.29 0.73 -0.26 -1.11 0.00 0.00 177.39 177.39 2psq h PHE 676 N -1.00 0.00 0.00 1.96 0.04 -1.16 -3.30 116.94 113.48 2psq h PHE 676 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2psq h PHE 676 Cb 1.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 2psq h PHE 676 CO 0.03 0.36 -0.52 -0.25 -0.60 0.00 0.00 178.31 177.33 2psq n ASP 677 N -3.96 2.03 -1.79 2.17 8.00 0.86 -5.02 116.55 118.84 2psq n ASP 677 Ca -0.02 -0.31 -0.14 0.00 0.71 0.00 0.00 54.79 55.03 2psq n ASP 677 Cb 0.41 1.04 0.01 0.00 -0.02 0.00 0.00 41.12 42.56 2psq n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2psq n ARG 678 N -1.27 -2.01 -4.24 -1.24 5.12 -0.82 -3.92 116.66 108.28 2psq n ARG 678 Ca 0.00 0.64 -0.26 0.00 -1.93 0.00 0.00 57.85 56.31 2psq n ARG 678 Cb 0.04 -4.89 -0.08 0.00 -1.16 0.00 0.00 32.46 26.37 2psq n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2psq s VAL 679 N -2.80 2.20 -0.29 1.55 -7.23 -1.24 -2.32 120.40 110.27 2psq s VAL 679 Ca 0.08 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2psq s VAL 679 Cb -0.04 -2.96 0.16 0.00 0.56 0.00 0.00 36.38 34.11 2psq s VAL 679 CO 0.10 0.00 0.58 -0.47 -0.31 0.00 0.00 175.10 175.00 2psq s TYR 680 N -2.63 -1.41 0.34 2.82 5.04 -1.26 -3.86 117.35 116.38 2psq s TYR 680 Ca 0.39 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 2psq s TYR 680 Cb 0.05 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.91 2psq s TYR 680 CO 0.21 -0.79 0.01 0.25 -1.34 0.00 0.00 175.55 173.90 2psq n THR 681 N 5.43 0.00 0.14 4.34 -2.24 -1.26 -4.99 114.28 115.70 2psq n THR 681 Ca -0.04 -1.58 0.02 0.00 -2.27 0.00 0.00 64.05 60.17 2psq n THR 681 Cb 0.50 0.29 0.37 0.00 -2.10 0.00 0.00 70.33 69.39 2psq n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2psq h HIS 682 N 1.14 0.17 0.00 4.78 -0.00 -2.00 -1.18 115.15 118.07 2psq h HIS 682 Ca -0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2psq h HIS 682 Cb 0.84 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 2psq h HIS 682 CO 0.00 0.39 0.00 1.96 -0.00 0.00 0.00 177.93 180.28 2psq h GLN 683 N 0.15 0.00 -0.15 2.45 1.08 -1.92 -0.81 115.11 115.91 2psq h GLN 683 Ca 0.03 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.02 2psq h GLN 683 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2psq h GLN 683 CO 0.03 0.00 -0.71 0.77 -0.95 0.00 0.00 178.83 177.97 2psq h SER 684 N 0.00 0.77 0.10 1.46 0.02 -1.58 -2.90 113.55 111.42 2psq h SER 684 Ca 0.00 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 2psq h SER 684 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2psq h SER 684 CO 0.00 1.26 -0.27 0.44 -1.14 0.00 0.00 176.83 177.12 2psq h ASP 685 N 0.46 0.28 0.82 3.07 3.45 -1.14 -2.46 116.42 120.91 2psq h ASP 685 Ca -0.03 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.26 2psq h ASP 685 Cb 1.32 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 2psq h ASP 685 CO 0.14 0.56 -0.36 -0.37 -1.57 0.00 0.00 179.24 177.64 2psq h VAL 686 N 0.25 0.87 0.29 -1.35 -1.51 -1.27 0.21 116.25 113.74 2psq h VAL 686 Ca 0.04 -1.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 2psq h VAL 686 Cb 0.62 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2psq h VAL 686 CO 0.04 0.35 -0.14 -0.25 -1.23 0.00 0.00 177.57 176.35 2psq h TRP 687 N 0.00 -0.36 -0.99 5.19 2.91 -1.25 -1.01 115.95 120.44 2psq h TRP 687 Ca -0.00 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.07 2psq h TRP 687 Cb 0.87 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 29.57 2psq h TRP 687 CO 0.00 -0.13 0.64 0.77 -1.03 0.00 0.00 178.44 178.68 2psq h SER 688 N -0.52 1.02 -0.50 2.65 0.02 -1.19 0.41 113.55 115.45 2psq h SER 688 Ca -0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2psq h SER 688 Cb 0.39 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2psq h SER 688 CO 0.07 0.65 0.33 0.15 -1.14 0.00 0.00 176.83 176.88 2psq h PHE 689 N 1.16 0.59 -0.54 3.45 3.57 -0.26 0.16 116.94 125.07 2psq h PHE 689 Ca 0.43 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 2psq h PHE 689 Cb 0.17 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2psq h PHE 689 CO -0.01 0.36 0.24 0.78 -2.23 0.00 0.00 178.31 177.46 2psq h GLY 690 N 0.63 0.84 1.00 2.40 0.00 0.43 0.22 103.07 108.60 2psq h GLY 690 Ca 0.19 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 2psq h GLY 690 CO -0.04 0.42 0.02 -2.08 0.00 0.00 0.00 176.54 174.85 2psq h VAL 691 N 0.72 1.26 -0.95 4.60 2.07 -0.72 -1.34 116.25 121.89 2psq h VAL 691 Ca 0.18 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.75 2psq h VAL 691 Cb 0.16 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2psq h VAL 691 CO -0.02 0.36 0.61 0.25 0.02 0.00 0.00 177.57 178.80 2psq h LEU 692 N 0.70 0.92 -0.68 2.57 5.85 -0.31 0.33 115.31 124.69 2psq h LEU 692 Ca 0.14 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2psq h LEU 692 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2psq h LEU 692 CO 0.02 0.55 0.19 0.24 -0.34 0.00 0.00 178.44 179.11 2psq h MET 693 N 1.02 1.07 -0.62 1.25 2.86 0.13 -1.08 114.93 119.56 2psq h MET 693 Ca 0.44 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 2psq h MET 693 Cb 0.32 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2psq h MET 693 CO -0.19 0.94 0.15 2.35 1.06 0.00 0.00 176.91 181.22 2psq h TRP 694 N 1.00 1.04 -0.53 -0.22 7.01 -0.04 -1.89 115.95 122.33 2psq h TRP 694 Ca 0.22 -0.12 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2psq h TRP 694 Cb 0.33 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2psq h TRP 694 CO 0.03 0.87 0.31 0.93 -2.79 0.00 0.00 178.44 177.79 2psq h GLU 695 N 0.91 0.59 0.22 2.65 5.08 -0.62 -1.69 114.58 121.72 2psq h GLU 695 Ca 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2psq h GLU 695 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2psq h GLU 695 CO 0.00 0.39 -0.10 0.82 -1.00 0.00 0.00 179.01 179.12 2psq h ILE 696 N 0.61 0.80 0.00 3.13 2.04 -0.85 0.45 117.51 123.69 2psq h ILE 696 Ca 0.22 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2psq h ILE 696 Cb 0.04 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2psq h ILE 696 CO -0.11 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.55 2psq n PHE 697 N -5.20 0.00 0.00 1.37 3.72 -0.74 -1.30 117.46 115.31 2psq n PHE 697 Ca -0.09 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.41 2psq n PHE 697 Cb 0.15 -0.46 0.23 0.00 -0.94 0.00 0.00 39.48 38.46 2psq n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2psq n THR 698 N -1.46 0.72 -3.60 4.37 -2.24 -0.65 -4.56 114.28 106.87 2psq n THR 698 Ca 0.05 -0.86 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 2psq n THR 698 Cb 0.20 0.76 0.07 0.00 -2.10 0.00 0.00 70.33 69.25 2psq n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2psq n LEU 699 N 1.33 -3.46 0.00 3.22 4.77 -0.42 -3.13 117.00 119.32 2psq n LEU 699 Ca 0.19 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2psq n LEU 699 Cb 0.56 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 2psq n LEU 699 CO 0.14 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2psq n GLY 700 N -1.56 0.91 3.75 -0.72 0.00 0.11 -2.92 105.19 104.76 2psq n GLY 700 Ca -0.16 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2psq n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2psq s GLY 701 N -2.24 2.13 -0.26 -0.02 0.00 -1.18 -4.89 107.32 100.85 2psq s GLY 701 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 44.72 45.12 2psq s GLY 701 CO 0.00 1.00 0.72 -0.56 0.00 0.00 0.00 173.10 174.26 2psq s SER 702 N -2.50 6.67 0.45 1.64 0.01 -1.26 -4.73 113.70 113.99 2psq s SER 702 Ca 0.69 0.78 -0.24 0.00 1.31 0.00 0.00 55.95 58.49 2psq s SER 702 Cb -0.23 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 2psq s SER 702 CO 0.45 -0.47 1.24 -0.81 0.41 0.00 0.00 173.24 174.06 2psq n PRO 703 N 5.91 1.77 -3.87 12.44 -0.04 -1.26 -3.14 135.00 146.81 2psq n PRO 703 Ca 0.02 0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 63.83 2psq n PRO 703 Cb 0.48 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2psq n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2psq n TYR 704 N -0.47 -1.71 -1.62 0.54 4.01 -1.26 -4.82 117.16 111.83 2psq n TYR 704 Ca 0.08 0.60 -0.49 0.00 -0.16 0.00 0.00 57.90 57.93 2psq n TYR 704 Cb 0.41 -3.58 -0.05 0.00 -0.31 0.00 0.00 39.34 35.82 2psq n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2psq n PRO 705 N -4.38 1.51 -0.43 -0.72 -0.04 -1.19 -1.45 135.00 128.30 2psq n PRO 705 Ca -0.23 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2psq n PRO 705 Cb 0.65 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2psq n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2psq n GLY 706 N 2.58 2.09 3.34 0.55 0.00 -1.26 -5.00 105.19 107.49 2psq n GLY 706 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2psq n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2psq s ILE 707 N -3.39 4.67 0.54 -0.61 1.01 -0.53 -5.07 121.20 117.82 2psq s ILE 707 Ca 0.00 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.31 2psq s ILE 707 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2psq s ILE 707 CO 0.00 -0.45 1.34 -2.16 0.00 0.00 0.00 174.94 173.67 2psq s PRO 708 N 1.54 3.16 0.45 2.79 0.04 -1.26 -4.85 135.00 136.86 2psq s PRO 708 Ca 0.03 2.18 0.15 0.00 0.04 0.00 0.00 61.00 63.41 2psq s PRO 708 Cb -0.22 -2.25 1.08 0.00 0.04 0.00 0.00 34.50 33.15 2psq s PRO 708 CO 0.05 -1.16 1.99 -0.39 0.04 0.00 0.00 177.00 177.53 2psq h VAL 709 N 1.43 0.88 -0.44 -0.36 -1.51 -1.97 -1.82 116.25 112.46 2psq h VAL 709 Ca -0.51 -0.12 0.12 0.00 -1.23 0.00 0.00 66.70 64.96 2psq h VAL 709 Cb 1.30 0.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 2psq h VAL 709 CO 0.57 0.06 0.31 -0.33 -1.23 0.00 0.00 177.57 176.96 2psq h GLU 710 N 0.35 0.06 -0.06 5.19 3.07 -2.04 -2.48 114.58 118.67 2psq h GLU 710 Ca 0.27 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2psq h GLU 710 Cb 0.58 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2psq h GLU 710 CO -0.07 0.04 -0.01 -0.85 -1.40 0.00 0.00 179.01 176.72 2psq n GLU 711 N -4.42 1.65 -0.02 2.33 0.28 -0.70 -4.77 120.64 114.99 2psq n GLU 711 Ca 0.07 -2.66 -0.11 0.00 -0.16 0.00 0.00 57.16 54.30 2psq n GLU 711 Cb 0.47 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.67 2psq n GLU 711 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2psq h LEU 712 N 0.42 -0.06 -2.06 -1.84 5.85 -1.24 -3.29 115.31 113.08 2psq h LEU 712 Ca 0.00 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.19 2psq h LEU 712 Cb 1.10 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2psq h LEU 712 CO 0.05 0.64 0.11 -0.26 -0.34 0.00 0.00 178.44 178.64 2psq h PHE 713 N -0.87 0.00 -0.25 1.25 -1.00 -1.86 -0.79 116.94 113.42 2psq h PHE 713 Ca -0.01 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2psq h PHE 713 Cb 0.64 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 2psq h PHE 713 CO 0.15 0.00 0.05 -0.22 -1.61 0.00 0.00 178.31 176.68 2psq h LYS 714 N 0.00 0.41 -0.87 1.51 3.64 -1.90 -1.62 116.57 117.74 2psq h LYS 714 Ca 0.07 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2psq h LYS 714 Cb 0.30 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2psq h LYS 714 CO -0.00 0.52 0.46 -0.07 -2.27 0.00 0.00 179.45 178.09 2psq h LEU 715 N 0.23 1.10 -0.43 5.20 3.38 -1.27 -2.62 115.31 120.90 2psq h LEU 715 Ca 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2psq h LEU 715 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2psq h LEU 715 CO 0.00 0.89 0.21 -0.07 0.09 0.00 0.00 178.44 179.56 2psq h LEU 716 N 1.22 0.56 -0.83 1.67 3.38 -1.00 -1.07 115.31 119.25 2psq h LEU 716 Ca 0.30 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.24 2psq h LEU 716 Cb 0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2psq h LEU 716 CO -0.05 0.53 0.47 0.11 0.09 0.00 0.00 178.44 179.60 2psq h LYS 717 N 0.55 0.76 0.00 1.13 1.57 -0.99 0.21 116.57 119.80 2psq h LYS 717 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2psq h LYS 717 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2psq h LYS 717 CO -0.02 0.50 0.00 0.39 -0.57 0.00 0.00 179.45 179.75 2psq n GLU 718 N -4.75 0.39 -0.53 3.15 1.02 -0.89 -4.81 120.64 114.22 2psq n GLU 718 Ca 0.14 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2psq n GLU 718 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2psq n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2psq n GLY 719 N -0.16 0.73 3.77 0.62 0.00 0.74 -5.04 105.19 105.85 2psq n GLY 719 Ca 0.10 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2psq n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2psq s HIS 720 N -2.00 3.05 0.04 1.61 5.04 -0.46 -5.00 115.29 117.57 2psq s HIS 720 Ca 0.00 1.47 -0.11 0.00 -1.54 0.00 0.00 55.06 54.88 2psq s HIS 720 Cb 0.00 -3.59 0.01 0.00 0.04 0.00 0.00 32.58 29.04 2psq s HIS 720 CO 0.00 -1.68 0.23 1.03 -2.34 0.00 0.00 174.74 171.98 2psq s ARG 721 N -1.95 0.71 0.58 2.88 1.81 -1.26 -4.48 118.95 117.23 2psq s ARG 721 Ca 0.52 -0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 53.79 2psq s ARG 721 Cb -0.37 0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 34.39 2psq s ARG 721 CO 0.48 -0.21 1.20 -1.64 -0.68 0.00 0.00 175.30 174.45 2psq s MET 722 N -2.41 3.07 0.84 3.54 -1.94 -1.26 -5.02 119.30 116.12 2psq s MET 722 Ca -0.06 1.80 -0.12 0.00 -1.71 0.00 0.00 55.69 55.60 2psq s MET 722 Cb -0.02 -1.96 0.10 0.00 2.01 0.00 0.00 34.83 34.96 2psq s MET 722 CO -0.03 -1.12 1.12 -0.51 -0.01 0.00 0.00 175.02 174.47 2psq s ASP 723 N -1.60 4.13 0.09 3.03 1.01 -1.26 -5.00 116.67 117.07 2psq s ASP 723 Ca 0.76 1.15 -0.31 0.00 0.71 0.00 0.00 52.55 54.86 2psq s ASP 723 Cb -0.29 -1.81 -0.07 0.00 1.01 0.00 0.00 42.92 41.75 2psq s ASP 723 CO 0.32 -2.18 1.30 -0.75 0.21 0.00 0.00 175.17 174.07 2psq s LYS 724 N -5.22 4.37 0.24 8.23 2.20 -1.26 -4.98 119.74 123.32 2psq s LYS 724 Ca 0.62 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.87 2psq s LYS 724 Cb -0.14 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 2psq s LYS 724 CO 0.54 -0.36 1.45 -2.14 -0.36 0.00 0.00 175.35 174.47 2psq s PRO 725 N 1.09 4.27 0.33 4.03 0.02 -1.26 -4.90 135.00 138.58 2psq s PRO 725 Ca 0.62 2.30 0.09 0.00 0.02 0.00 0.00 61.00 64.03 2psq s PRO 725 Cb -0.33 -3.11 0.98 0.00 0.02 0.00 0.00 34.50 32.05 2psq s PRO 725 CO 0.30 -0.43 1.58 0.00 -0.33 0.00 0.00 177.00 178.11 2psq h ALA 726 N 5.14 1.55 -0.97 -1.55 0.00 -1.94 -0.75 119.26 120.75 2psq h ALA 726 Ca -0.46 0.31 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 2psq h ALA 726 Cb 1.22 0.49 -0.30 0.00 0.00 0.00 0.00 17.79 19.20 2psq h ALA 726 CO 0.78 -0.71 0.71 0.27 0.00 0.00 0.00 179.25 180.30 2psq n ASN 727 N -5.39 5.79 -4.30 0.00 6.94 -1.26 -4.92 115.26 112.12 2psq n ASN 727 Ca 0.29 -3.71 -0.31 0.00 -0.02 0.00 0.00 54.58 50.83 2psq n ASN 727 Cb 0.96 -0.89 -0.16 0.00 -2.36 0.00 0.00 39.78 37.32 2psq n ASN 727 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2psq s THR 729 N -0.55 3.90 0.20 0.00 -4.23 -1.26 -4.85 115.64 108.84 2psq s THR 729 Ca 0.09 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.22 2psq s THR 729 Cb -0.10 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.49 2psq s THR 729 CO -0.01 -0.69 1.77 0.78 -0.54 0.00 0.00 174.62 175.94 2psq h ASN 730 N -0.23 0.35 -0.91 3.99 2.35 -1.99 -1.73 115.58 117.41 2psq h ASN 730 Ca -0.45 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.41 2psq h ASN 730 Cb 1.22 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.51 2psq h ASN 730 CO 0.57 0.23 0.57 -0.08 -1.65 0.00 0.00 177.43 177.07 2psq h GLU 731 N 0.50 1.00 0.00 0.81 4.81 -1.99 0.60 114.58 120.30 2psq h GLU 731 Ca 0.27 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2psq h GLU 731 Cb 0.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2psq h GLU 731 CO -0.22 0.66 -0.53 -0.07 -0.73 0.00 0.00 179.01 178.12 2psq h LEU 732 N 1.03 0.00 -0.25 1.64 3.38 -1.81 -2.67 115.31 116.64 2psq h LEU 732 Ca 0.40 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.16 2psq h LEU 732 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2psq h LEU 732 CO -0.18 0.53 -0.78 0.22 0.09 0.00 0.00 178.44 178.32 2psq h TYR 733 N 0.00 0.85 -0.14 1.13 3.20 -0.40 -2.03 116.97 119.57 2psq h TYR 733 Ca -0.01 -0.38 -0.04 0.00 3.14 0.00 0.00 58.73 61.44 2psq h TYR 733 Cb 1.15 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2psq h TYR 733 CO 0.00 1.19 -0.10 0.52 -1.64 0.00 0.00 178.16 178.13 2psq h MET 734 N 0.42 0.22 -0.39 1.82 2.86 -0.83 0.39 114.93 119.42 2psq h MET 734 Ca -0.05 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2psq h MET 734 Cb 1.39 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 2psq h MET 734 CO 0.15 0.33 -0.19 1.98 1.06 0.00 0.00 176.91 180.24 2psq h MET 735 N 0.21 0.81 -0.32 1.72 1.85 -1.18 -0.86 114.93 117.16 2psq h MET 735 Ca 0.04 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2psq h MET 735 Cb 0.32 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2psq h MET 735 CO 0.02 0.98 0.21 0.52 -0.40 0.00 0.00 176.91 178.24 2psq h MET 736 N 0.61 0.42 -0.59 0.39 2.07 -0.56 -1.81 114.93 115.46 2psq h MET 736 Ca 0.09 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 2psq h MET 736 Cb 0.74 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.34 2psq h MET 736 CO 0.06 0.28 0.32 0.00 1.07 0.00 0.00 176.91 178.64 2psq h ARG 737 N 0.43 0.80 -0.31 1.72 2.47 -0.77 -1.69 114.38 117.03 2psq h ARG 737 Ca 0.12 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2psq h ARG 737 Cb -0.05 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 2psq h ARG 737 CO -0.02 0.59 0.09 -0.44 0.56 0.00 0.00 179.97 180.74 2psq h ASP 738 N 0.81 0.46 -0.66 7.04 3.32 -0.76 -1.70 116.42 124.93 2psq h ASP 738 Ca 0.21 -0.21 0.16 0.00 0.02 0.00 0.00 57.03 57.20 2psq h ASP 738 Cb 0.02 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2psq h ASP 738 CO -0.03 0.55 0.45 0.00 -1.72 0.00 0.00 179.24 178.49 2psq n TRP 740 N -4.42 2.92 -2.11 0.00 8.01 -0.66 -3.74 117.44 117.44 2psq n TRP 740 Ca 0.12 -1.85 -0.39 0.00 -1.31 0.00 0.00 57.50 54.07 2psq n TRP 740 Cb 0.59 -0.94 -0.01 0.00 -2.01 0.00 0.00 31.31 28.94 2psq n TRP 740 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2psq s HIS 741 N -3.15 2.89 0.21 -5.99 2.46 0.06 -4.90 115.29 106.88 2psq s HIS 741 Ca 0.54 1.44 -0.09 0.00 0.47 0.00 0.00 55.06 57.42 2psq s HIS 741 Cb 0.46 -3.61 0.17 0.00 -0.13 0.00 0.00 32.58 29.46 2psq s HIS 741 CO 0.10 -1.91 1.85 0.00 -2.47 0.00 0.00 174.74 172.31 2psq h ALA 742 N 2.75 1.01 -2.34 1.58 0.00 -1.91 -3.40 119.26 116.95 2psq h ALA 742 Ca -0.49 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 53.73 2psq h ALA 742 Cb 1.24 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2psq h ALA 742 CO 0.63 0.48 0.40 0.08 0.00 0.00 0.00 179.25 180.84 2psq s VAL 743 N -5.96 4.87 0.16 0.00 1.01 -1.26 -4.95 120.40 114.27 2psq s VAL 743 Ca -0.13 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 2psq s VAL 743 Cb 0.15 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2psq s VAL 743 CO 0.80 -0.03 1.68 -0.65 0.00 0.00 0.00 175.10 176.89 2psq h PRO 744 N 7.63 0.01 0.00 2.72 0.11 -1.95 -1.13 132.00 139.39 2psq h PRO 744 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2psq h PRO 744 Cb 1.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2psq h PRO 744 CO 0.85 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.31 2psq h SER 745 N 0.01 0.00 0.21 -2.05 4.64 -1.95 -2.11 113.55 112.30 2psq h SER 745 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2psq h SER 745 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2psq h SER 745 CO -0.36 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.35 2psq n GLN 746 N -2.36 0.91 -2.68 4.77 6.02 -0.44 -4.85 117.38 118.74 2psq n GLN 746 Ca 0.01 -0.55 -0.31 0.00 -0.01 0.00 0.00 57.00 56.14 2psq n GLN 746 Cb 0.18 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 2psq n GLN 746 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2psq s ARG 747 N -2.47 3.83 0.93 -1.09 0.52 -0.80 -4.93 118.95 114.94 2psq s ARG 747 Ca 0.25 0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 55.97 2psq s ARG 747 Cb 0.19 -2.30 0.15 0.00 0.52 0.00 0.00 34.95 33.51 2psq s ARG 747 CO 0.51 -0.13 1.11 -1.25 0.02 0.00 0.00 175.30 175.56 2psq s PRO 748 N -3.96 0.97 0.30 3.54 0.04 -1.26 -5.04 135.00 129.58 2psq s PRO 748 Ca 0.54 0.51 0.05 0.00 0.04 0.00 0.00 61.00 62.14 2psq s PRO 748 Cb -0.10 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2psq s PRO 748 CO 0.32 -2.36 0.43 0.95 0.04 0.00 0.00 177.00 176.38 2psq s THR 749 N -3.08 4.65 0.46 1.26 -4.23 -1.26 -4.92 115.64 108.52 2psq s THR 749 Ca 0.64 -0.95 0.18 0.00 -1.18 0.00 0.00 61.69 60.38 2psq s THR 749 Cb -0.17 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.26 2psq s THR 749 CO 0.56 -0.26 2.04 -0.26 -0.54 0.00 0.00 174.62 176.16 2psq h PHE 750 N 0.99 0.00 -0.47 3.99 0.04 -1.93 -1.24 116.94 118.33 2psq h PHE 750 Ca -0.49 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.28 2psq h PHE 750 Cb 1.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 2psq h PHE 750 CO 0.44 0.14 0.29 -0.22 -0.60 0.00 0.00 178.31 178.36 2psq h LYS 751 N 0.00 0.63 -0.31 1.51 3.64 -1.92 -0.88 116.57 119.24 2psq h LYS 751 Ca -0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 2psq h LYS 751 Cb 0.27 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2psq h LYS 751 CO 0.02 0.45 -0.51 1.96 -2.27 0.00 0.00 179.45 179.10 2psq h GLN 752 N 0.63 0.89 -0.65 1.90 4.20 -1.75 -2.71 115.11 117.63 2psq h GLN 752 Ca 0.17 -0.54 0.02 0.00 0.06 0.00 0.00 58.65 58.36 2psq h GLN 752 Cb -0.03 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 2psq h GLN 752 CO -0.03 1.18 0.40 -0.07 -0.67 0.00 0.00 178.83 179.64 2psq h LEU 753 N 0.69 0.67 -0.57 1.46 3.38 -1.01 -0.75 115.31 119.17 2psq h LEU 753 Ca 0.03 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2psq h LEU 753 Cb 1.12 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2psq h LEU 753 CO 0.12 0.47 0.33 0.58 0.09 0.00 0.00 178.44 180.02 2psq h VAL 754 N 0.80 1.02 -0.05 1.22 2.07 -1.08 0.10 116.25 120.33 2psq h VAL 754 Ca 0.26 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2psq h VAL 754 Cb 0.00 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2psq h VAL 754 CO -0.10 0.12 0.02 -0.33 0.02 0.00 0.00 177.57 177.31 2psq h GLU 755 N 0.64 0.07 -0.44 1.57 5.08 -1.02 0.16 114.58 120.65 2psq h GLU 755 Ca 0.24 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2psq h GLU 755 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2psq h GLU 755 CO -0.13 0.16 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.34 2psq h ASP 756 N -0.04 0.97 -0.37 1.42 3.32 -0.99 -0.71 116.42 120.02 2psq h ASP 756 Ca 0.02 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 2psq h ASP 756 Cb 0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2psq h ASP 756 CO -0.00 1.17 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.55 2psq h LEU 757 N 0.80 0.78 -0.71 1.55 3.38 -0.73 0.22 115.31 120.60 2psq h LEU 757 Ca 0.09 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2psq h LEU 757 Cb 0.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2psq h LEU 757 CO 0.07 0.89 0.24 -0.78 0.09 0.00 0.00 178.44 178.95 2psq h ASP 758 N 0.73 1.02 -0.24 -0.43 3.58 -0.44 0.20 116.42 120.84 2psq h ASP 758 Ca 0.13 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2psq h ASP 758 Cb 0.55 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2psq h ASP 758 CO 0.03 0.95 0.07 -0.09 -2.88 0.00 0.00 179.24 177.32 2psq h ARG 759 N 1.04 0.37 -0.50 0.28 2.43 -0.61 -2.08 114.38 115.32 2psq h ARG 759 Ca 0.23 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2psq h ARG 759 Cb 0.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2psq h ARG 759 CO -0.01 0.47 -0.12 0.82 -1.51 0.00 0.00 179.97 179.62 2psq h ILE 760 N 0.21 1.27 -0.29 1.20 2.04 -0.72 -2.90 117.51 118.32 2psq h ILE 760 Ca 0.08 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.59 2psq h ILE 760 Cb 0.25 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2psq h ILE 760 CO -0.00 0.43 -0.25 0.25 0.00 0.00 0.00 178.15 178.59 2psq h LEU 761 N 0.83 0.56 0.04 1.44 5.85 -0.55 -2.81 115.31 120.68 2psq h LEU 761 Ca 0.13 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2psq h LEU 761 Cb 0.65 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2psq h LEU 761 CO 0.05 0.80 -0.02 0.74 -0.34 0.00 0.00 178.44 179.66 2psq h THR 762 N 0.49 1.14 -0.69 1.05 2.02 -1.26 0.07 112.91 115.73 2psq h THR 762 Ca 0.07 -0.60 0.07 0.00 0.77 0.00 0.00 66.41 66.73 2psq h THR 762 Cb 0.69 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 2psq h THR 762 CO 0.05 0.15 0.37 -0.07 0.37 0.00 0.00 175.52 176.39 2psq h LEU 763 N -0.32 0.52 -0.94 2.58 3.38 -1.51 -2.02 115.31 117.00 2psq h LEU 763 Ca -0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2psq h LEU 763 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2psq h LEU 763 CO 0.01 0.32 -0.25 0.74 0.09 0.00 0.00 178.44 179.36 2psq h THR 764 N 0.66 1.26 0.00 0.22 2.02 -1.40 -3.52 112.91 112.15 2psq h THR 764 Ca 0.32 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2psq h THR 764 Cb 0.26 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2psq h THR 764 CO -0.22 0.40 0.00 0.41 0.37 0.00 0.00 175.52 176.48