#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf0 s LEU 464 N 0.00 4.37 1.13 0.00 2.96 -1.26 -4.98 118.68 120.89 3cf0 s LEU 464 Ca 0.00 2.73 -0.16 0.00 -0.22 0.00 0.00 54.13 56.48 3cf0 s LEU 464 Cb 0.00 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.27 3cf0 s LEU 464 CO 0.00 -0.91 0.46 -1.14 -1.32 0.00 0.00 176.35 173.44 3cf0 n ARG 465 N 4.25 -1.83 -3.04 1.98 0.63 -1.26 -4.96 116.66 112.43 3cf0 n ARG 465 Ca 0.15 -0.51 -0.40 0.00 -0.92 0.00 0.00 57.85 56.18 3cf0 n ARG 465 Cb 0.37 -1.91 -0.05 0.00 0.45 0.00 0.00 32.46 31.32 3cf0 n ARG 465 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3cf0 s GLU 466 N -3.86 4.44 -0.34 -0.14 2.56 -1.26 -5.02 118.70 115.07 3cf0 s GLU 466 Ca 0.61 0.89 -0.29 0.00 0.00 0.00 0.00 54.97 56.18 3cf0 s GLU 466 Cb -0.18 -3.44 -0.00 0.00 2.00 0.00 0.00 34.13 32.51 3cf0 s GLU 466 CO 0.66 0.09 1.47 0.99 -0.56 0.00 0.00 175.26 177.90 3cf0 s THR 467 N 0.72 3.87 -0.43 -1.70 2.01 -1.26 -4.99 115.64 113.86 3cf0 s THR 467 Ca 0.37 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 63.17 3cf0 s THR 467 Cb -0.18 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.35 3cf0 s THR 467 CO 0.18 -0.56 0.32 -0.69 -0.69 0.00 0.00 174.62 173.18 3cf0 s VAL 468 N 5.31 4.97 0.60 3.82 1.01 -1.26 -5.08 120.40 129.77 3cf0 s VAL 468 Ca 0.64 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 3cf0 s VAL 468 Cb -0.17 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3cf0 s VAL 468 CO 0.30 -0.45 1.03 -0.69 0.00 0.00 0.00 175.10 175.28 3cf0 s VAL 469 N 1.60 4.40 0.05 2.92 1.01 -1.26 -4.52 120.40 124.60 3cf0 s VAL 469 Ca 0.04 0.92 -0.27 0.00 0.00 0.00 0.00 61.98 62.67 3cf0 s VAL 469 Cb -0.22 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.58 3cf0 s VAL 469 CO 0.07 -0.88 0.82 -1.83 0.00 0.00 0.00 175.10 173.27 3cf0 s GLU 470 N -4.71 0.98 -0.26 2.72 -1.05 -1.15 -4.97 118.70 110.27 3cf0 s GLU 470 Ca 0.58 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.92 3cf0 s GLU 470 Cb -0.12 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 3cf0 s GLU 470 CO 0.46 -0.43 0.15 0.08 0.95 0.00 0.00 175.26 176.46 3cf0 s VAL 471 N -3.31 5.05 0.03 1.83 1.01 -1.26 -1.40 120.40 122.35 3cf0 s VAL 471 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3cf0 s VAL 471 Cb -0.01 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 3cf0 s VAL 471 CO -0.09 0.30 1.99 -2.84 0.00 0.00 0.00 175.10 174.47 3cf0 s PRO 472 N 1.49 4.09 0.53 2.72 0.02 -1.26 -4.87 135.00 137.70 3cf0 s PRO 472 Ca 0.07 2.60 0.31 0.00 0.02 0.00 0.00 61.00 64.00 3cf0 s PRO 472 Cb -0.15 -4.18 1.15 0.00 0.02 0.00 0.00 34.50 31.34 3cf0 s PRO 472 CO 0.07 -1.02 1.91 -0.56 -0.33 0.00 0.00 177.00 177.07 3cf0 h GLN 473 N 10.87 0.00 -5.86 5.54 -0.00 -1.95 -3.43 115.11 120.27 3cf0 h GLN 473 Ca -0.50 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.50 3cf0 h GLN 473 Cb 1.24 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.63 3cf0 h GLN 473 CO 0.94 0.01 -0.54 0.54 -0.00 0.00 0.00 178.83 179.78 3cf0 s VAL 474 N -3.58 5.02 0.37 1.86 0.11 -1.26 -5.11 120.40 117.80 3cf0 s VAL 474 Ca 0.02 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 3cf0 s VAL 474 Cb 0.08 -3.25 -0.07 0.00 -1.53 0.00 0.00 36.38 31.61 3cf0 s VAL 474 CO 0.57 0.45 0.02 0.42 -3.33 0.00 0.00 175.10 173.23 3cf0 s THR 475 N -1.13 1.72 0.52 5.04 -4.23 -1.26 -3.65 115.64 112.64 3cf0 s THR 475 Ca 0.20 -2.02 0.35 0.00 -1.18 0.00 0.00 61.69 59.04 3cf0 s THR 475 Cb -0.12 -2.88 0.54 0.00 1.34 0.00 0.00 72.50 71.38 3cf0 s THR 475 CO 0.11 -0.03 1.77 -0.50 -0.54 0.00 0.00 174.62 175.43 3cf0 h TRP 476 N 1.93 0.13 0.00 3.99 4.06 -1.95 0.06 115.95 124.17 3cf0 h TRP 476 Ca -0.43 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.50 3cf0 h TRP 476 Cb 1.24 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3cf0 h TRP 476 CO 0.68 -0.00 -0.15 0.93 -3.56 0.00 0.00 178.44 176.34 3cf0 h GLU 477 N 0.07 0.00 -0.00 0.49 5.08 -2.00 -1.90 114.58 116.31 3cf0 h GLU 477 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 3cf0 h GLU 477 Cb 2.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.53 3cf0 h GLU 477 CO -0.07 0.15 -0.09 -0.25 -1.00 0.00 0.00 179.01 177.74 3cf0 n ASP 478 N -3.73 0.33 -4.41 1.42 9.92 0.01 -4.63 116.55 115.45 3cf0 n ASP 478 Ca -0.02 -0.42 -0.40 0.00 -0.53 0.00 0.00 54.79 53.43 3cf0 n ASP 478 Cb 0.26 -0.13 -0.11 0.00 -0.64 0.00 0.00 41.12 40.50 3cf0 n ASP 478 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3cf0 s ILE 479 N -2.53 4.63 -0.10 0.53 1.01 -0.72 -4.70 121.20 119.32 3cf0 s ILE 479 Ca 0.28 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 3cf0 s ILE 479 Cb 0.20 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3cf0 s ILE 479 CO 0.48 -0.09 1.06 -0.83 0.00 0.00 0.00 174.94 175.56 3cf0 s GLY 480 N 1.59 2.25 0.00 6.18 0.00 -1.26 -4.88 107.32 111.19 3cf0 s GLY 480 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3cf0 s GLY 480 CO 0.07 2.01 0.00 0.61 0.00 0.00 0.00 173.10 175.79 3cf0 n GLY 481 N 3.18 -0.17 3.22 0.20 0.00 -1.26 -4.62 105.19 105.73 3cf0 n GLY 481 Ca 0.10 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3cf0 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf0 n LEU 482 N 0.00 -2.97 -0.11 0.99 4.77 -1.26 -4.90 117.00 113.51 3cf0 n LEU 482 Ca 0.00 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 3cf0 n LEU 482 Cb 0.00 -2.93 -0.01 0.00 -2.33 0.00 0.00 43.42 38.15 3cf0 n LEU 482 CO 0.00 0.41 0.99 -0.33 -1.33 0.00 0.00 177.39 177.13 3cf0 h GLU 483 N -1.91 0.48 -0.77 3.23 4.39 -1.96 -1.63 114.58 116.42 3cf0 h GLU 483 Ca -0.53 -0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.26 3cf0 h GLU 483 Cb 1.36 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 3cf0 h GLU 483 CO 0.55 0.37 0.33 0.38 -1.16 0.00 0.00 179.01 179.47 3cf0 h ASP 484 N 0.47 0.33 0.34 1.42 2.03 -2.00 -1.61 116.42 117.40 3cf0 h ASP 484 Ca 0.13 0.10 -0.27 0.00 -0.73 0.00 0.00 57.03 56.26 3cf0 h ASP 484 Cb 0.00 0.07 0.02 0.00 -0.83 0.00 0.00 39.33 38.59 3cf0 h ASP 484 CO -0.02 0.13 -1.18 -0.37 -1.03 0.00 0.00 179.24 176.77 3cf0 h VAL 485 N 0.48 1.38 -0.55 4.15 -1.51 -1.84 -1.52 116.25 116.84 3cf0 h VAL 485 Ca 0.42 -2.64 0.10 0.00 -1.23 0.00 0.00 66.70 63.35 3cf0 h VAL 485 Cb 0.62 2.71 -0.08 0.00 -2.13 0.00 0.00 31.29 32.40 3cf0 h VAL 485 CO -0.39 0.79 0.08 0.11 -1.23 0.00 0.00 177.57 176.93 3cf0 h LYS 486 N 0.20 0.20 0.01 5.19 1.57 -0.80 0.94 116.57 123.88 3cf0 h LYS 486 Ca -0.15 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3cf0 h LYS 486 Cb 1.85 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.12 3cf0 h LYS 486 CO 0.21 0.13 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.12 3cf0 h ARG 487 N 0.20 -0.02 -0.64 3.15 2.43 -1.27 -1.90 114.38 116.33 3cf0 h ARG 487 Ca 0.28 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3cf0 h ARG 487 Cb 0.42 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3cf0 h ARG 487 CO -0.40 0.15 0.43 1.49 -1.51 0.00 0.00 179.97 180.12 3cf0 h GLU 488 N -0.18 0.80 -0.05 0.20 4.22 -0.43 -0.93 114.58 118.21 3cf0 h GLU 488 Ca -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 3cf0 h GLU 488 Cb 0.17 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3cf0 h GLU 488 CO 0.00 0.53 0.01 -0.07 -2.18 0.00 0.00 179.01 177.30 3cf0 h LEU 489 N 0.83 0.07 -0.48 1.64 3.38 0.11 -2.92 115.31 117.95 3cf0 h LEU 489 Ca 0.24 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3cf0 h LEU 489 Cb -0.03 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 3cf0 h LEU 489 CO -0.06 0.31 -0.03 1.56 0.09 0.00 0.00 178.44 180.31 3cf0 h GLN 490 N -0.16 0.08 0.00 1.13 4.20 -0.83 0.22 115.11 119.74 3cf0 h GLN 490 Ca 0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3cf0 h GLN 490 Cb 0.27 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3cf0 h GLN 490 CO 0.00 0.05 0.10 0.93 -0.67 0.00 0.00 178.83 179.24 3cf0 h GLU 491 N 0.08 0.00 0.00 1.46 5.08 -1.04 0.14 114.58 120.30 3cf0 h GLU 491 Ca 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3cf0 h GLU 491 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3cf0 h GLU 491 CO -0.42 0.00 -1.90 1.28 -1.00 0.00 0.00 179.01 176.97 3cf0 n LEU 492 N -2.23 0.00 -0.00 1.33 4.77 0.01 -4.45 117.00 116.42 3cf0 n LEU 492 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3cf0 n LEU 492 Cb 0.13 0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3cf0 n LEU 492 CO 0.09 0.11 -0.53 1.33 -1.33 0.00 0.00 177.39 177.06 3cf0 n VAL 493 N -2.25 0.05 0.19 4.08 0.24 -0.88 -4.69 118.33 115.08 3cf0 n VAL 493 Ca -0.10 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 3cf0 n VAL 493 Cb 0.62 -0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 32.01 3cf0 n VAL 493 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3cf0 h GLN 494 N -0.01 -0.47 -0.64 7.34 1.08 -0.94 -3.24 115.11 118.22 3cf0 h GLN 494 Ca -0.02 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 3cf0 h GLN 494 Cb 1.03 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 28.45 3cf0 h GLN 494 CO -0.01 -0.31 -0.03 1.88 -0.95 0.00 0.00 178.83 179.40 3cf0 h TYR 495 N -0.53 -0.11 -0.31 2.96 0.99 -1.74 0.21 116.97 118.43 3cf0 h TYR 495 Ca -0.05 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.74 3cf0 h TYR 495 Cb 0.37 0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 3cf0 h TYR 495 CO 0.12 -0.20 0.21 -1.00 -0.00 0.00 0.00 178.16 177.29 3cf0 h PRO 496 N 0.09 0.38 0.14 4.88 0.13 -1.81 0.15 132.00 135.96 3cf0 h PRO 496 Ca 0.33 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 65.10 3cf0 h PRO 496 Cb 0.54 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3cf0 h PRO 496 CO -0.57 0.25 -1.77 -0.24 -0.23 0.00 0.00 178.00 175.44 3cf0 h VAL 497 N 0.39 0.82 -0.01 1.56 3.04 -0.96 -3.22 116.25 117.87 3cf0 h VAL 497 Ca 0.12 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 3cf0 h VAL 497 Cb -0.01 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 3cf0 h VAL 497 CO -0.03 0.82 -0.30 -0.62 -1.01 0.00 0.00 177.57 176.43 3cf0 n GLU 498 N -3.65 1.02 -2.69 4.17 1.02 0.51 -4.13 120.64 116.88 3cf0 n GLU 498 Ca -0.28 -0.70 -0.07 0.00 -0.02 0.00 0.00 57.16 56.09 3cf0 n GLU 498 Cb 1.01 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.98 3cf0 n GLU 498 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cf0 n HIS 499 N -0.38 1.15 0.11 -0.32 8.25 0.53 -4.92 115.22 119.64 3cf0 n HIS 499 Ca 0.12 -2.67 0.18 0.00 -0.26 0.00 0.00 57.72 55.09 3cf0 n HIS 499 Cb 0.39 -0.34 0.75 0.00 1.12 0.00 0.00 29.99 31.90 3cf0 n HIS 499 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf0 h PRO 500 N 2.92 0.00 -0.66 -0.41 0.11 -1.67 0.24 132.00 132.53 3cf0 h PRO 500 Ca -0.11 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.05 3cf0 h PRO 500 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3cf0 h PRO 500 CO 0.44 0.00 0.39 0.38 -0.21 0.00 0.00 178.00 179.00 3cf0 h ASP 501 N 0.00 0.60 0.62 -2.05 -0.00 -1.91 -1.33 116.42 112.36 3cf0 h ASP 501 Ca 0.16 0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 57.09 3cf0 h ASP 501 Cb 0.78 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.98 3cf0 h ASP 501 CO -0.00 0.40 -0.56 0.11 -0.00 0.00 0.00 179.24 179.19 3cf0 h LYS 502 N 0.74 0.00 -0.01 4.15 6.56 -1.32 0.65 116.57 127.34 3cf0 h LYS 502 Ca 0.28 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.61 3cf0 h LYS 502 Cb 0.11 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.79 3cf0 h LYS 502 CO -0.15 0.56 -1.03 0.74 -2.06 0.00 0.00 179.45 177.52 3cf0 h PHE 503 N 0.00 1.03 -0.57 -1.35 0.04 -1.43 -2.52 116.94 112.14 3cf0 h PHE 503 Ca -0.01 -0.56 -0.09 0.00 2.80 0.00 0.00 57.97 60.12 3cf0 h PHE 503 Cb 1.03 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 3cf0 h PHE 503 CO 0.00 1.39 0.01 -0.07 -0.60 0.00 0.00 178.31 179.04 3cf0 h LEU 504 N 0.40 0.94 0.25 1.54 4.07 -1.17 0.98 115.31 122.32 3cf0 h LEU 504 Ca -0.12 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.58 3cf0 h LEU 504 Cb 1.68 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.16 3cf0 h LEU 504 CO 0.20 0.99 -0.18 0.11 -1.08 0.00 0.00 178.44 178.49 3cf0 h LYS 505 N 0.90 -0.41 -0.00 1.13 1.57 -0.88 -2.81 116.57 116.06 3cf0 h LYS 505 Ca 0.17 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3cf0 h LYS 505 Cb 0.51 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3cf0 h LYS 505 CO 0.02 -0.27 -0.21 1.19 -0.57 0.00 0.00 179.45 179.61 3cf0 n PHE 506 N -5.30 0.00 0.00 -1.35 3.72 -0.95 -4.97 117.46 108.61 3cf0 n PHE 506 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3cf0 n PHE 506 Cb 0.21 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3cf0 n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cf0 n GLY 507 N 1.49 2.46 3.55 1.37 0.00 0.34 -5.02 105.19 109.37 3cf0 n GLY 507 Ca 0.07 -0.51 -0.52 0.00 0.00 0.00 0.00 46.02 45.06 3cf0 n GLY 507 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cf0 n MET 508 N 0.00 0.76 -3.91 1.61 0.00 -1.23 -4.72 117.12 109.64 3cf0 n MET 508 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 57.70 57.65 3cf0 n MET 508 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 33.22 31.41 3cf0 n MET 508 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cf0 s THR 509 N -0.03 5.39 1.19 3.17 -4.23 -1.26 -4.66 115.64 115.22 3cf0 s THR 509 Ca 0.80 -0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.81 3cf0 s THR 509 Cb -0.99 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 69.53 3cf0 s THR 509 CO 0.52 0.19 1.14 -2.84 -0.54 0.00 0.00 174.62 173.09 3cf0 s PRO 510 N -2.35 -1.15 0.01 3.99 0.02 -1.26 -5.05 135.00 129.20 3cf0 s PRO 510 Ca 0.33 -0.17 -0.00 0.00 0.02 0.00 0.00 61.00 61.18 3cf0 s PRO 510 Cb -0.13 -1.61 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 3cf0 s PRO 510 CO 0.25 -3.65 0.09 -1.54 -0.33 0.00 0.00 177.00 171.83 3cf0 s SER 511 N -4.06 5.73 0.43 2.53 1.04 -1.26 -5.03 113.70 113.08 3cf0 s SER 511 Ca 0.72 0.14 0.21 0.00 0.48 0.00 0.00 55.95 57.50 3cf0 s SER 511 Cb -0.08 -1.65 0.96 0.00 0.10 0.00 0.00 66.02 65.35 3cf0 s SER 511 CO 0.56 0.25 1.87 0.11 0.98 0.00 0.00 173.24 177.01 3cf0 h LYS 512 N 3.93 0.00 0.00 4.02 1.57 -1.89 -3.48 116.57 120.72 3cf0 h LYS 512 Ca -0.49 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 58.65 3cf0 h LYS 512 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 3cf0 h LYS 512 CO 0.64 0.27 0.89 0.41 -0.57 0.00 0.00 179.45 181.10 3cf0 n GLY 513 N -0.21 0.18 3.24 3.86 0.00 -1.24 -2.29 105.19 108.75 3cf0 n GLY 513 Ca -0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3cf0 n GLY 513 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf0 s VAL 514 N -2.01 0.04 -0.20 1.61 1.01 -0.96 -3.38 120.40 116.50 3cf0 s VAL 514 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3cf0 s VAL 514 Cb -0.00 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3cf0 s VAL 514 CO -0.01 -0.18 -0.16 -0.22 0.00 0.00 0.00 175.10 174.53 3cf0 s LEU 515 N -0.87 2.54 -0.07 3.92 0.20 0.35 -1.14 118.68 123.61 3cf0 s LEU 515 Ca -0.09 -0.80 -0.21 0.00 0.69 0.00 0.00 54.13 53.72 3cf0 s LEU 515 Cb -0.04 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 3cf0 s LEU 515 CO 0.03 -0.05 0.60 -0.36 -0.29 0.00 0.00 176.35 176.28 3cf0 s PHE 516 N 1.27 3.58 0.16 5.38 2.99 0.52 -0.76 117.98 131.12 3cf0 s PHE 516 Ca 0.02 1.11 0.06 0.00 0.00 0.00 0.00 56.93 58.12 3cf0 s PHE 516 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 43.02 40.15 3cf0 s PHE 516 CO -0.10 0.17 -0.13 1.52 -0.00 0.00 0.00 175.22 176.67 3cf0 s TYR 517 N 0.54 1.49 0.00 0.36 -0.85 -0.46 -1.42 117.35 117.02 3cf0 s TYR 517 Ca 0.32 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 3cf0 s TYR 517 Cb -0.17 -0.74 0.00 0.00 0.38 0.00 0.00 41.96 41.43 3cf0 s TYR 517 CO 0.15 0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.80 3cf0 n GLY 518 N 0.07 1.93 3.69 5.49 0.00 -1.04 -0.92 105.19 114.41 3cf0 n GLY 518 Ca -0.12 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 3cf0 n GLY 518 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf0 s PRO 519 N -2.00 1.24 0.10 1.61 0.04 -1.25 -4.10 135.00 130.65 3cf0 s PRO 519 Ca 0.00 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 3cf0 s PRO 519 Cb 0.00 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 3cf0 s PRO 519 CO 0.00 -2.39 1.14 -2.14 0.04 0.00 0.00 177.00 173.65 3cf0 s PRO 520 N -4.74 4.50 0.00 0.56 0.02 -1.26 -4.15 135.00 129.93 3cf0 s PRO 520 Ca 0.65 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3cf0 s PRO 520 Cb -0.21 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3cf0 s PRO 520 CO 0.58 -0.11 0.00 0.41 -0.33 0.00 0.00 177.00 177.55 3cf0 n GLY 521 N 2.72 1.00 0.00 0.52 0.00 -1.26 -4.83 105.19 103.34 3cf0 n GLY 521 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3cf0 n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf0 n GLY 523 N -0.17 1.00 0.26 0.00 0.00 -1.26 -4.87 105.19 100.16 3cf0 n GLY 523 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3cf0 n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf0 h LYS 524 N 0.00 0.56 -0.20 1.61 1.57 -1.94 -0.80 116.57 117.36 3cf0 h LYS 524 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3cf0 h LYS 524 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3cf0 h LYS 524 CO 0.00 0.37 -0.44 1.15 -0.57 0.00 0.00 179.45 179.96 3cf0 h THR 525 N 0.58 1.32 -0.90 -0.16 2.02 -2.00 -2.57 112.91 111.20 3cf0 h THR 525 Ca 0.33 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.88 3cf0 h THR 525 Cb 0.34 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.56 3cf0 h THR 525 CO -0.26 0.52 0.59 -0.07 0.37 0.00 0.00 175.52 176.67 3cf0 h LEU 526 N 0.35 0.95 -0.58 2.58 3.38 -1.91 -0.62 115.31 119.47 3cf0 h LEU 526 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3cf0 h LEU 526 Cb 1.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3cf0 h LEU 526 CO 0.10 0.64 -0.08 -0.07 0.09 0.00 0.00 178.44 179.12 3cf0 h LEU 527 N 1.10 1.05 -0.98 1.67 3.38 -1.16 0.60 115.31 120.97 3cf0 h LEU 527 Ca 0.36 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3cf0 h LEU 527 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3cf0 h LEU 527 CO -0.12 1.14 -0.45 0.00 0.09 0.00 0.00 178.44 179.10 3cf0 h ALA 528 N 0.95 1.15 0.00 1.53 0.00 -0.78 -1.98 119.26 120.13 3cf0 h ALA 528 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3cf0 h ALA 528 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cf0 h ALA 528 CO 0.04 0.60 -0.49 0.87 0.00 0.00 0.00 179.25 180.27 3cf0 h LYS 529 N 0.10 0.00 -0.70 0.00 1.57 -0.64 -2.87 116.57 114.03 3cf0 h LYS 529 Ca 0.01 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 3cf0 h LYS 529 Cb 0.84 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.03 3cf0 h LYS 529 CO 0.06 0.93 -0.03 0.00 -0.57 0.00 0.00 179.45 179.84 3cf0 h ALA 530 N -0.26 0.67 -0.91 3.86 0.00 0.17 0.18 119.26 122.97 3cf0 h ALA 530 Ca -0.13 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3cf0 h ALA 530 Cb 1.06 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3cf0 h ALA 530 CO -0.08 -0.41 0.60 0.97 0.00 0.00 0.00 179.25 180.32 3cf0 h ILE 531 N 0.09 1.24 -0.51 0.00 6.09 -1.43 0.21 117.51 123.20 3cf0 h ILE 531 Ca 0.37 -0.45 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 3cf0 h ILE 531 Cb 0.62 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.79 3cf0 h ILE 531 CO -0.63 0.23 0.29 0.00 -3.07 0.00 0.00 178.15 174.97 3cf0 h ALA 532 N 1.33 0.65 -0.40 0.18 0.00 -0.85 -1.97 119.26 118.20 3cf0 h ALA 532 Ca 0.33 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3cf0 h ALA 532 Cb -0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3cf0 h ALA 532 CO -0.07 0.17 -0.09 -0.97 0.00 0.00 0.00 179.25 178.28 3cf0 h ASN 533 N 0.68 0.68 -0.06 0.00 -1.24 0.28 0.23 115.58 116.15 3cf0 h ASN 533 Ca 0.18 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 3cf0 h ASN 533 Cb 0.04 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 3cf0 h ASN 533 CO -0.03 0.81 0.02 -0.08 -1.29 0.00 0.00 177.43 176.86 3cf0 h GLU 534 N 0.64 0.09 0.00 6.67 4.57 -0.41 -0.93 114.58 125.20 3cf0 h GLU 534 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3cf0 h GLU 534 Cb 0.54 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3cf0 h GLU 534 CO 0.03 0.22 0.00 0.00 -1.18 0.00 0.00 179.01 178.08 3cf0 n GLN 536 N -0.63 -3.05 -4.62 0.00 1.13 -0.35 -4.96 117.38 104.90 3cf0 n GLN 536 Ca 0.03 0.37 -0.28 0.00 -1.94 0.00 0.00 57.00 55.18 3cf0 n GLN 536 Cb 0.02 -4.44 -0.11 0.00 0.11 0.00 0.00 30.24 25.82 3cf0 n GLN 536 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf0 s ALA 537 N -3.99 3.17 0.56 -1.58 0.00 0.77 -4.99 121.76 115.69 3cf0 s ALA 537 Ca 0.01 -2.26 -0.10 0.00 0.00 0.00 0.00 51.96 49.61 3cf0 s ALA 537 Cb -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3cf0 s ALA 537 CO 0.90 -0.12 0.95 -0.80 0.00 0.00 0.00 175.76 176.68 3cf0 s ASN 538 N -3.71 6.31 -0.08 0.00 0.01 -0.10 -4.47 114.94 112.90 3cf0 s ASN 538 Ca 0.34 1.30 -0.01 0.00 -0.71 0.00 0.00 52.86 53.78 3cf0 s ASN 538 Cb 0.10 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.37 3cf0 s ASN 538 CO 0.18 -0.73 -0.02 0.12 -1.51 0.00 0.00 177.10 175.13 3cf0 s PHE 539 N -2.95 0.88 -0.09 2.20 5.36 -0.49 -0.53 117.98 122.36 3cf0 s PHE 539 Ca 0.53 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 56.18 3cf0 s PHE 539 Cb -0.11 -0.91 -0.03 0.00 -0.34 0.00 0.00 43.02 41.63 3cf0 s PHE 539 CO 0.47 -0.37 -0.08 0.42 -1.46 0.00 0.00 175.22 174.20 3cf0 s ILE 540 N 1.88 3.60 -0.24 3.12 1.01 -0.15 -2.92 121.20 127.51 3cf0 s ILE 540 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3cf0 s ILE 540 Cb -0.12 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.90 3cf0 s ILE 540 CO -0.06 0.56 -0.11 -0.55 0.00 0.00 0.00 174.94 174.78 3cf0 s SER 541 N -0.38 4.13 -0.26 3.58 0.15 -1.26 -0.54 113.70 119.12 3cf0 s SER 541 Ca 0.05 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.37 3cf0 s SER 541 Cb -0.12 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.68 3cf0 s SER 541 CO 0.02 -0.17 0.13 -0.63 1.20 0.00 0.00 173.24 173.79 3cf0 s ILE 542 N 1.18 4.81 0.30 6.45 1.09 -0.62 -4.93 121.20 129.49 3cf0 s ILE 542 Ca -0.06 -0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 3cf0 s ILE 542 Cb -0.19 -3.27 0.05 0.00 -1.06 0.00 0.00 42.46 37.99 3cf0 s ILE 542 CO -0.06 0.31 0.38 0.29 -0.10 0.00 0.00 174.94 175.76 3cf0 n LYS 543 N 4.90 0.84 0.18 2.79 5.02 -1.26 -0.96 118.16 129.67 3cf0 n LYS 543 Ca -0.15 -1.69 -0.14 0.00 -2.02 0.00 0.00 58.31 54.30 3cf0 n LYS 543 Cb 0.52 -0.06 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 3cf0 n LYS 543 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3cf0 h GLY 544 N 0.11 -0.69 1.79 0.72 0.00 -1.80 -2.57 103.07 100.64 3cf0 h GLY 544 Ca -0.15 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3cf0 h GLY 544 CO 0.22 -0.26 0.09 -2.55 0.00 0.00 0.00 176.54 174.04 3cf0 h PRO 545 N -0.63 0.09 -0.11 4.80 0.11 -1.94 0.23 132.00 134.55 3cf0 h PRO 545 Ca -0.01 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3cf0 h PRO 545 Cb 0.59 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 3cf0 h PRO 545 CO -0.09 0.06 -0.04 1.49 -0.21 0.00 0.00 178.00 179.21 3cf0 h GLU 546 N 0.09 0.23 -0.36 1.05 4.81 -1.86 0.41 114.58 118.95 3cf0 h GLU 546 Ca 0.06 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3cf0 h GLU 546 Cb 0.12 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 3cf0 h GLU 546 CO -0.01 0.55 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.57 3cf0 h LEU 547 N -0.11 -0.64 -1.18 1.64 3.38 -1.07 -2.16 115.31 115.18 3cf0 h LEU 547 Ca 0.03 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3cf0 h LEU 547 Cb 0.48 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3cf0 h LEU 547 CO 0.01 -0.22 0.06 -0.07 0.09 0.00 0.00 178.44 178.31 3cf0 h LEU 548 N -0.13 0.58 -0.53 1.67 3.38 -0.68 0.61 115.31 120.21 3cf0 h LEU 548 Ca 0.18 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3cf0 h LEU 548 Cb 0.41 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3cf0 h LEU 548 CO -0.44 0.61 0.26 0.74 0.09 0.00 0.00 178.44 179.70 3cf0 h THR 549 N 0.61 0.94 0.00 0.22 2.02 -0.29 0.29 112.91 116.70 3cf0 h THR 549 Ca 0.13 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3cf0 h THR 549 Cb 0.29 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3cf0 h THR 549 CO 0.00 0.09 -0.24 0.24 0.37 0.00 0.00 175.52 175.98 3cf0 h MET 550 N 0.50 0.00 0.07 6.66 2.86 -0.72 0.71 114.93 125.02 3cf0 h MET 550 Ca 0.24 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3cf0 h MET 550 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3cf0 h MET 550 CO -0.17 0.24 -0.03 2.35 1.06 0.00 0.00 176.91 180.36 3cf0 h TRP 551 N 0.00 -0.09 -0.37 -0.22 7.01 0.11 -1.36 115.95 121.03 3cf0 h TRP 551 Ca -0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 3cf0 h TRP 551 Cb 0.60 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.63 3cf0 h TRP 551 CO 0.00 0.41 -0.07 0.74 -2.79 0.00 0.00 178.44 176.73 3cf0 h PHE 552 N -0.94 -0.15 -0.01 2.65 0.04 -0.50 -2.76 116.94 115.28 3cf0 h PHE 552 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3cf0 h PHE 552 Cb 0.53 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.81 3cf0 h PHE 552 CO 0.12 -0.13 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 3cf0 n GLY 553 N -1.28 -0.87 2.68 -1.45 0.00 0.24 -4.90 105.19 99.61 3cf0 n GLY 553 Ca 0.02 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 3cf0 n GLY 553 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf0 n GLU 554 N -0.79 -2.97 -2.39 1.61 1.02 -0.82 -4.89 120.64 111.42 3cf0 n GLU 554 Ca 0.21 0.89 -0.32 0.00 -0.02 0.00 0.00 57.16 57.92 3cf0 n GLU 554 Cb 0.13 -5.62 0.01 0.00 -0.02 0.00 0.00 31.44 25.94 3cf0 n GLU 554 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cf0 n SER 555 N -2.18 5.66 0.03 1.62 3.41 -0.58 -4.74 113.62 116.84 3cf0 n SER 555 Ca -0.17 -3.75 0.12 0.00 -0.26 0.00 0.00 58.87 54.81 3cf0 n SER 555 Cb 0.65 -0.69 0.51 0.00 -0.26 0.00 0.00 64.21 64.41 3cf0 n SER 555 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cf0 n GLU 556 N -0.44 0.07 -0.02 4.33 0.00 -1.26 -2.25 120.64 121.07 3cf0 n GLU 556 Ca 0.43 0.13 0.22 0.00 0.00 0.00 0.00 57.16 57.94 3cf0 n GLU 556 Cb 0.48 -1.60 0.71 0.00 0.00 0.00 0.00 31.44 31.03 3cf0 n GLU 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cf0 h ALA 557 N 2.75 2.50 0.00 -1.84 0.00 -1.94 -0.07 119.26 120.66 3cf0 h ALA 557 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cf0 h ALA 557 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cf0 h ALA 557 CO 0.00 -0.75 0.00 0.09 0.00 0.00 0.00 179.25 178.59 3cf0 n ASN 558 N -4.23 0.28 -0.18 0.00 4.13 -0.95 -1.92 115.26 112.39 3cf0 n ASN 558 Ca 0.11 0.63 -0.10 0.00 1.68 0.00 0.00 54.58 56.90 3cf0 n ASN 558 Cb 0.69 -0.67 0.01 0.00 -1.54 0.00 0.00 39.78 38.28 3cf0 n ASN 558 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3cf0 h VAL 559 N 0.00 1.27 -0.52 2.41 2.07 -1.25 -0.65 116.25 119.58 3cf0 h VAL 559 Ca 0.00 -1.29 0.10 0.00 0.82 0.00 0.00 66.70 66.33 3cf0 h VAL 559 Cb 0.03 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 3cf0 h VAL 559 CO 0.00 0.45 -0.33 -0.09 0.02 0.00 0.00 177.57 177.62 3cf0 h ARG 560 N 0.91 -0.19 -0.21 1.57 2.43 -1.57 -0.03 114.38 117.29 3cf0 h ARG 560 Ca 0.14 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3cf0 h ARG 560 Cb 0.70 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 3cf0 h ARG 560 CO 0.05 -0.12 -0.04 1.49 -1.51 0.00 0.00 179.97 179.84 3cf0 h GLU 561 N -0.19 0.01 -0.66 0.20 4.22 -1.41 0.73 114.58 117.48 3cf0 h GLU 561 Ca 0.21 -0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.76 3cf0 h GLU 561 Cb 0.55 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 3cf0 h GLU 561 CO -0.63 0.01 0.23 0.82 -2.18 0.00 0.00 179.01 177.27 3cf0 h ILE 562 N 0.02 0.71 -0.38 2.32 2.04 -0.48 -1.03 117.51 120.70 3cf0 h ILE 562 Ca 0.10 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 3cf0 h ILE 562 Cb 0.15 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3cf0 h ILE 562 CO -0.21 0.07 -0.24 -0.26 0.00 0.00 0.00 178.15 177.51 3cf0 h PHE 563 N 0.40 0.89 0.15 1.37 0.04 0.29 -2.55 116.94 117.52 3cf0 h PHE 563 Ca 0.35 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3cf0 h PHE 563 Cb 0.48 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3cf0 h PHE 563 CO -0.18 0.94 -0.28 -0.44 -0.60 0.00 0.00 178.31 177.75 3cf0 h ASP 564 N 0.67 -0.82 -0.51 2.17 3.45 -0.19 1.00 116.42 122.19 3cf0 h ASP 564 Ca 0.09 0.08 0.15 0.00 0.43 0.00 0.00 57.03 57.78 3cf0 h ASP 564 Cb 0.76 0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 39.80 3cf0 h ASP 564 CO 0.06 -0.33 0.66 0.50 -1.57 0.00 0.00 179.24 178.57 3cf0 h LYS 565 N -0.47 0.00 0.12 3.56 3.64 -1.13 0.23 116.57 122.52 3cf0 h LYS 565 Ca -0.02 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 3cf0 h LYS 565 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3cf0 h LYS 565 CO -0.11 0.00 -1.70 0.00 -2.27 0.00 0.00 179.45 175.37 3cf0 h ALA 566 N 1.15 0.34 -0.38 5.00 0.00 -0.98 -2.60 119.26 121.80 3cf0 h ALA 566 Ca 0.24 -1.22 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 3cf0 h ALA 566 Cb 1.57 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 3cf0 h ALA 566 CO -0.00 1.21 0.07 -0.09 0.00 0.00 0.00 179.25 180.44 3cf0 h ARG 567 N 0.07 0.62 0.00 0.00 2.43 0.19 -2.22 114.38 115.47 3cf0 h ARG 567 Ca -0.31 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 3cf0 h ARG 567 Cb 2.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.50 3cf0 h ARG 567 CO 0.14 0.67 -0.52 0.37 -1.51 0.00 0.00 179.97 179.12 3cf0 h GLN 568 N 0.46 0.00 -0.48 0.20 -0.00 -0.98 -2.54 115.11 111.77 3cf0 h GLN 568 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 3cf0 h GLN 568 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.82 3cf0 h GLN 568 CO 0.01 0.52 0.00 0.00 0.00 0.00 0.00 178.83 179.36 3cf0 n ALA 569 N -2.40 2.63 -1.76 3.38 0.00 -0.98 -4.97 120.51 116.41 3cf0 n ALA 569 Ca -0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 3cf0 n ALA 569 Cb 0.55 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3cf0 n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf0 n ALA 570 N 0.56 2.43 -2.25 0.00 0.00 -0.86 -4.13 120.51 116.25 3cf0 n ALA 570 Ca 0.13 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 3cf0 n ALA 570 Cb 0.43 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 3cf0 n ALA 570 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cf0 s PRO 571 N -1.51 4.56 -0.14 0.00 0.05 -1.26 -4.99 135.00 131.71 3cf0 s PRO 571 Ca 0.57 1.66 -0.07 0.00 0.05 0.00 0.00 61.00 63.22 3cf0 s PRO 571 Cb -0.48 -3.33 0.06 0.00 0.05 0.00 0.00 34.50 30.79 3cf0 s PRO 571 CO 0.58 -0.00 0.32 0.00 0.05 0.00 0.00 177.00 177.95 3cf0 s VAL 573 N 1.55 5.15 -0.23 0.00 -7.23 0.31 -0.62 120.40 119.33 3cf0 s VAL 573 Ca -0.08 0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 60.24 3cf0 s VAL 573 Cb -0.10 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 3cf0 s VAL 573 CO -0.10 0.02 0.54 -0.22 -0.31 0.00 0.00 175.10 175.03 3cf0 s LEU 574 N 2.09 4.11 -0.26 1.32 2.96 -0.09 -0.97 118.68 127.83 3cf0 s LEU 574 Ca 0.14 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 3cf0 s LEU 574 Cb -0.16 -2.73 0.07 0.00 0.50 0.00 0.00 46.19 43.87 3cf0 s LEU 574 CO 0.11 -0.25 0.00 0.12 -1.32 0.00 0.00 176.35 175.01 3cf0 s PHE 575 N 1.99 2.33 -0.64 5.38 5.36 0.30 -1.09 117.98 131.62 3cf0 s PHE 575 Ca 0.24 -1.86 -0.21 0.00 -0.96 0.00 0.00 56.93 54.14 3cf0 s PHE 575 Cb -0.16 -1.76 0.08 0.00 -0.34 0.00 0.00 43.02 40.85 3cf0 s PHE 575 CO 0.09 -0.81 0.88 -0.06 -1.46 0.00 0.00 175.22 173.86 3cf0 s PHE 576 N 1.41 2.78 0.56 10.12 0.40 0.13 -1.58 117.98 131.79 3cf0 s PHE 576 Ca 0.00 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 3cf0 s PHE 576 Cb -0.18 -4.20 -0.01 0.00 0.51 0.00 0.00 43.02 39.13 3cf0 s PHE 576 CO -0.11 -1.53 0.88 0.34 0.70 0.00 0.00 175.22 175.50 3cf0 s ASP 577 N 3.66 5.92 -1.40 1.36 2.15 -0.13 -1.65 116.67 126.59 3cf0 s ASP 577 Ca 0.18 0.90 -0.09 0.00 0.43 0.00 0.00 52.55 53.98 3cf0 s ASP 577 Cb -0.19 -2.02 0.06 0.00 -0.30 0.00 0.00 42.92 40.47 3cf0 s ASP 577 CO 0.09 -0.87 0.61 -0.62 -0.17 0.00 0.00 175.17 174.21 3cf0 n GLU 578 N -2.50 -4.16 -0.11 4.34 1.02 -1.04 -3.65 120.64 114.53 3cf0 n GLU 578 Ca 0.03 0.61 0.24 0.00 -0.02 0.00 0.00 57.16 58.02 3cf0 n GLU 578 Cb 0.56 -5.39 0.41 0.00 -0.02 0.00 0.00 31.44 27.00 3cf0 n GLU 578 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3cf0 h LEU 579 N -1.28 0.00 -1.26 -4.62 3.38 -1.53 -1.81 115.31 108.18 3cf0 h LEU 579 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3cf0 h LEU 579 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3cf0 h LEU 579 CO 0.57 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.20 3cf0 n ASP 580 N -3.18 1.92 0.18 -0.43 5.75 -1.26 -4.52 116.55 115.01 3cf0 n ASP 580 Ca 0.19 -1.69 0.04 0.00 -0.01 0.00 0.00 54.79 53.31 3cf0 n ASP 580 Cb 1.38 -0.07 0.30 0.00 -1.03 0.00 0.00 41.12 41.70 3cf0 n ASP 580 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3cf0 h SER 581 N 2.75 0.00 -0.23 -1.12 4.64 -1.70 -0.55 113.55 117.35 3cf0 h SER 581 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3cf0 h SER 581 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3cf0 h SER 581 CO 0.00 0.43 -0.40 0.40 -0.87 0.00 0.00 176.83 176.40 3cf0 h ILE 582 N 0.00 1.32 0.26 0.95 2.04 -1.84 -1.30 117.51 118.94 3cf0 h ILE 582 Ca -0.00 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.25 3cf0 h ILE 582 Cb 0.93 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3cf0 h ILE 582 CO 0.06 0.51 -0.42 0.00 0.00 0.00 0.00 178.15 178.30 3cf0 h ALA 583 N 0.63 -0.82 -0.71 1.87 0.00 -1.46 0.55 119.26 119.31 3cf0 h ALA 583 Ca 0.01 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3cf0 h ALA 583 Cb 0.99 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.31 3cf0 h ALA 583 CO 0.09 -1.02 -0.37 0.87 0.00 0.00 0.00 179.25 178.82 3cf0 h LYS 584 N -0.75 -0.12 -0.17 0.00 1.57 -1.26 -0.33 116.57 115.51 3cf0 h LYS 584 Ca -0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3cf0 h LYS 584 Cb 0.71 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3cf0 h LYS 584 CO -0.16 -0.08 0.13 0.00 -0.57 0.00 0.00 179.45 178.77 3cf0 h ALA 585 N 1.03 2.10 -0.60 3.86 0.00 0.07 -0.89 119.26 124.83 3cf0 h ALA 585 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3cf0 h ALA 585 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3cf0 h ALA 585 CO -0.77 -0.22 0.00 2.89 0.00 0.00 0.00 179.25 181.15 3cf0 n ARG 586 N -4.38 2.54 0.00 0.00 1.85 0.04 -4.90 116.66 111.82 3cf0 n ARG 586 Ca 0.01 -2.21 0.00 0.00 -1.00 0.00 0.00 57.85 54.65 3cf0 n ARG 586 Cb 0.26 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 3cf0 n ARG 586 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cf0 n GLY 587 N 1.39 1.24 7.00 2.89 0.00 -0.35 -3.10 105.19 114.27 3cf0 n GLY 587 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3cf0 n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf0 n GLY 588 N 0.00 3.37 0.36 -0.02 0.00 -0.29 -3.25 105.19 105.36 3cf0 n GLY 588 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 3cf0 n GLY 588 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf0 n ASN 589 N 7.83 -0.67 -0.05 1.61 3.02 -1.26 -3.28 115.26 122.46 3cf0 n ASN 589 Ca 0.00 1.62 -0.01 0.00 -0.03 0.00 0.00 54.58 56.16 3cf0 n ASN 589 Cb 0.00 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3cf0 n ASN 589 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3cf0 h ILE 590 N 0.00 0.00 0.00 2.41 3.07 -1.98 -3.51 117.51 117.50 3cf0 h ILE 590 Ca 0.29 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.77 3cf0 h ILE 590 Cb 0.52 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 3cf0 h ILE 590 CO -0.91 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 176.80 3cf0 n GLY 591 N 1.76 -1.77 0.00 0.16 0.00 -1.20 -5.02 105.19 99.12 3cf0 n GLY 591 Ca -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3cf0 n GLY 591 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf0 n ASP 592 N 0.17 0.45 0.34 1.61 5.75 -1.18 -4.75 116.55 118.94 3cf0 n ASP 592 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 3cf0 n ASP 592 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 3cf0 n ASP 592 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3cf0 h GLY 593 N 0.00 -0.91 0.00 6.12 0.00 -1.95 -3.48 103.07 102.86 3cf0 h GLY 593 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3cf0 h GLY 593 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 176.54 176.82 3cf0 n GLY 594 N -0.90 -1.52 0.00 4.60 0.00 -1.26 -5.09 105.19 101.02 3cf0 n GLY 594 Ca -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3cf0 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf0 n GLY 595 N 4.24 0.30 0.22 -0.02 0.00 -1.26 -4.98 105.19 103.69 3cf0 n GLY 595 Ca 0.00 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.20 3cf0 n GLY 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf0 h ALA 596 N -0.84 1.44 -2.18 4.61 0.00 -1.96 -3.44 119.26 116.88 3cf0 h ALA 596 Ca 0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.10 3cf0 h ALA 596 Cb 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 17.87 3cf0 h ALA 596 CO 0.00 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.69 3cf0 n ALA 597 N -2.42 -0.01 -3.10 0.00 0.00 -1.26 -4.58 120.51 109.14 3cf0 n ALA 597 Ca -0.02 0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 3cf0 n ALA 597 Cb 0.31 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 3cf0 n ALA 597 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3cf0 s ASP 598 N -0.62 -0.14 0.24 0.00 1.47 -1.26 -5.05 116.67 111.31 3cf0 s ASP 598 Ca 0.60 -0.09 -0.05 0.00 1.18 0.00 0.00 52.55 54.20 3cf0 s ASP 598 Cb -0.63 0.33 0.41 0.00 -0.34 0.00 0.00 42.92 42.68 3cf0 s ASP 598 CO 0.59 -0.53 1.77 0.08 0.68 0.00 0.00 175.17 177.76 3cf0 h ARG 599 N 3.55 0.57 0.15 2.11 0.11 -1.98 -0.45 114.38 118.43 3cf0 h ARG 599 Ca -0.31 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 3cf0 h ARG 599 Cb 1.19 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3cf0 h ARG 599 CO 0.43 0.37 -0.07 0.28 0.10 0.00 0.00 179.97 181.09 3cf0 h VAL 600 N 0.58 0.96 -0.26 0.08 2.07 -1.94 -1.87 116.25 115.87 3cf0 h VAL 600 Ca 0.39 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3cf0 h VAL 600 Cb 0.49 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3cf0 h VAL 600 CO -0.32 0.23 -0.11 0.40 0.02 0.00 0.00 177.57 177.79 3cf0 h ILE 601 N -0.79 1.21 -0.73 4.57 1.08 -1.95 -1.92 117.51 118.99 3cf0 h ILE 601 Ca -0.02 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 3cf0 h ILE 601 Cb 0.53 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 3cf0 h ILE 601 CO 0.03 0.30 0.48 -1.13 -0.69 0.00 0.00 178.15 177.14 3cf0 h ASN 602 N 0.40 0.82 -0.17 1.72 -1.24 -1.00 -0.18 115.58 115.93 3cf0 h ASN 602 Ca 0.08 -0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.10 3cf0 h ASN 602 Cb 0.44 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 3cf0 h ASN 602 CO 0.02 0.59 -0.05 -0.61 -1.29 0.00 0.00 177.43 176.10 3cf0 h GLN 603 N 0.97 -0.00 -0.80 6.67 5.75 -0.60 -1.40 115.11 125.69 3cf0 h GLN 603 Ca 0.27 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.95 3cf0 h GLN 603 Cb -0.10 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.34 3cf0 h GLN 603 CO -0.06 -0.00 0.28 0.82 -2.65 0.00 0.00 178.83 177.21 3cf0 h ILE 604 N -0.00 0.53 -0.53 2.39 2.04 -0.46 0.22 117.51 121.70 3cf0 h ILE 604 Ca 0.08 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 3cf0 h ILE 604 Cb 0.13 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3cf0 h ILE 604 CO -0.18 0.07 -0.13 -0.07 0.00 0.00 0.00 178.15 177.83 3cf0 h LEU 605 N 0.36 1.02 0.52 1.44 3.38 -0.12 -2.28 115.31 119.63 3cf0 h LEU 605 Ca 0.46 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3cf0 h LEU 605 Cb 0.80 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3cf0 h LEU 605 CO -0.49 1.14 -0.25 0.74 0.09 0.00 0.00 178.44 179.67 3cf0 h THR 606 N 0.89 0.46 0.00 0.22 2.02 -0.17 -0.88 112.91 115.45 3cf0 h THR 606 Ca 0.13 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3cf0 h THR 606 Cb 0.70 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3cf0 h THR 606 CO 0.05 0.03 0.02 -0.62 0.37 0.00 0.00 175.52 175.38 3cf0 n GLU 607 N -5.35 0.00 -0.00 6.66 -0.58 0.63 0.14 120.64 122.14 3cf0 n GLU 607 Ca -0.12 0.04 0.01 0.00 -0.42 0.00 0.00 57.16 56.67 3cf0 n GLU 607 Cb 0.31 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 3cf0 n GLU 607 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3cf0 n MET 608 N -0.88 1.17 0.05 3.49 1.56 -0.76 -3.71 117.12 118.04 3cf0 n MET 608 Ca 0.00 -0.02 -0.20 0.00 -0.27 0.00 0.00 57.70 57.21 3cf0 n MET 608 Cb 0.02 -1.06 -0.14 0.00 2.15 0.00 0.00 33.22 34.19 3cf0 n MET 608 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 3cf0 h ASP 609 N 0.00 0.53 0.84 6.12 3.32 0.26 -3.28 116.42 124.20 3cf0 h ASP 609 Ca -0.02 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.12 3cf0 h ASP 609 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3cf0 h ASP 609 CO 0.00 1.39 0.00 0.61 -1.72 0.00 0.00 179.24 179.52 3cf0 n GLY 610 N 1.54 -1.31 3.50 2.75 0.00 0.54 -4.66 105.19 107.54 3cf0 n GLY 610 Ca -0.13 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3cf0 n GLY 610 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cf0 s MET 611 N -3.19 3.25 0.02 1.61 0.00 -1.24 -4.96 119.30 114.79 3cf0 s MET 611 Ca 0.07 -0.45 -0.38 0.00 0.00 0.00 0.00 55.69 54.93 3cf0 s MET 611 Cb 0.11 -4.12 -0.17 0.00 0.00 0.00 0.00 34.83 30.64 3cf0 s MET 611 CO 0.41 -1.65 1.36 0.45 0.00 0.00 0.00 175.02 175.59 3cf0 n SER 612 N 7.69 1.51 -0.16 1.11 2.88 -1.26 -4.81 113.62 120.57 3cf0 n SER 612 Ca -0.00 1.12 0.29 0.00 -1.33 0.00 0.00 58.87 58.95 3cf0 n SER 612 Cb 0.47 -1.14 0.71 0.00 -0.75 0.00 0.00 64.21 63.50 3cf0 n SER 612 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cf0 h THR 613 N 3.54 0.40 -0.07 2.46 1.03 -1.93 -2.33 112.91 116.01 3cf0 h THR 613 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 3cf0 h THR 613 Cb 1.35 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 3cf0 h THR 613 CO 0.79 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.59 3cf0 n LYS 614 N -3.99 1.61 0.00 0.00 5.02 -1.26 -4.77 118.16 114.77 3cf0 n LYS 614 Ca 0.19 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 3cf0 n LYS 614 Cb 1.03 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3cf0 n LYS 614 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf0 n LYS 615 N 0.10 0.11 -2.18 1.97 4.76 -0.88 -5.00 118.16 117.03 3cf0 n LYS 615 Ca 0.18 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.42 3cf0 n LYS 615 Cb 0.32 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.53 3cf0 n LYS 615 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3cf0 n ASN 616 N -2.04 4.35 -4.52 4.39 2.85 -1.26 -5.00 115.26 114.02 3cf0 n ASN 616 Ca 0.00 -3.46 -0.36 0.00 -0.11 0.00 0.00 54.58 50.65 3cf0 n ASN 616 Cb 0.00 -0.37 -0.12 0.00 1.24 0.00 0.00 39.78 40.54 3cf0 n ASN 616 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cf0 s VAL 617 N -4.50 4.57 -0.20 3.44 1.01 -1.26 -1.89 120.40 121.57 3cf0 s VAL 617 Ca 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3cf0 s VAL 617 Cb 0.40 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3cf0 s VAL 617 CO 0.02 0.37 -0.01 0.12 0.00 0.00 0.00 175.10 175.59 3cf0 s PHE 618 N 1.24 3.03 -0.12 5.22 5.36 0.21 -4.96 117.98 127.95 3cf0 s PHE 618 Ca 0.05 -0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 55.43 3cf0 s PHE 618 Cb -0.14 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 3cf0 s PHE 618 CO 0.04 -0.24 0.23 0.42 -1.46 0.00 0.00 175.22 174.20 3cf0 s ILE 619 N 0.96 5.35 -0.06 3.12 1.01 -0.97 -0.91 121.20 129.70 3cf0 s ILE 619 Ca 0.01 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.08 3cf0 s ILE 619 Cb -0.14 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3cf0 s ILE 619 CO 0.02 0.53 -0.06 -0.63 0.00 0.00 0.00 174.94 174.80 3cf0 s ILE 620 N -0.46 0.68 0.14 2.92 1.01 -0.25 -2.26 121.20 122.98 3cf0 s ILE 620 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.67 3cf0 s ILE 620 Cb -0.13 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3cf0 s ILE 620 CO 0.05 0.27 0.16 -0.83 0.00 0.00 0.00 174.94 174.58 3cf0 s GLY 621 N 1.08 1.78 0.00 6.18 0.00 -0.29 0.19 107.32 116.25 3cf0 s GLY 621 Ca -0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 44.72 43.49 3cf0 s GLY 621 CO -0.01 -1.14 0.02 0.00 0.00 0.00 0.00 173.10 171.98 3cf0 s ALA 622 N -1.68 -0.03 -0.18 3.20 0.00 -0.66 -0.35 121.76 122.05 3cf0 s ALA 622 Ca 0.31 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 3cf0 s ALA 622 Cb -0.11 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.13 3cf0 s ALA 622 CO 0.24 -0.11 0.67 -0.08 0.00 0.00 0.00 175.76 176.49 3cf0 s THR 623 N -0.83 0.00 -0.20 0.00 -1.32 -0.50 -1.84 115.64 110.94 3cf0 s THR 623 Ca -0.09 -0.02 0.15 0.00 -1.21 0.00 0.00 61.69 60.53 3cf0 s THR 623 Cb -0.06 -0.96 0.58 0.00 -1.51 0.00 0.00 72.50 70.56 3cf0 s THR 623 CO -0.00 -0.01 1.50 -0.46 -2.21 0.00 0.00 174.62 173.43 3cf0 n ASN 624 N 2.06 4.12 -3.11 8.08 2.04 -1.26 -2.51 115.26 124.69 3cf0 n ASN 624 Ca -0.16 -3.07 -0.20 0.00 -0.44 0.00 0.00 54.58 50.71 3cf0 n ASN 624 Cb 0.56 -0.58 -0.04 0.00 -2.53 0.00 0.00 39.78 37.19 3cf0 n ASN 624 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3cf0 n ARG 625 N -0.37 0.79 0.05 -3.83 5.12 -1.26 -4.84 116.66 112.32 3cf0 n ARG 625 Ca 0.24 -3.00 0.01 0.00 -1.93 0.00 0.00 57.85 53.17 3cf0 n ARG 625 Cb 0.98 -1.34 0.32 0.00 -1.16 0.00 0.00 32.46 31.26 3cf0 n ARG 625 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3cf0 h PRO 626 N 3.74 0.40 -1.63 5.56 0.13 -1.95 -0.97 132.00 137.27 3cf0 h PRO 626 Ca 0.04 -0.09 0.47 0.00 -0.87 0.00 0.00 66.00 65.55 3cf0 h PRO 626 Cb 0.93 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.94 3cf0 h PRO 626 CO 0.44 0.49 1.17 0.38 -0.23 0.00 0.00 178.00 180.25 3cf0 h ASP 627 N 0.38 0.00 0.00 1.44 2.03 -1.98 -2.25 116.42 116.04 3cf0 h ASP 627 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 3cf0 h ASP 627 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3cf0 h ASP 627 CO 0.02 -0.00 -0.83 2.30 -1.03 0.00 0.00 179.24 179.70 3cf0 n ILE 628 N -4.05 0.00 -1.57 4.15 -5.35 -0.37 -4.95 119.36 107.21 3cf0 n ILE 628 Ca 0.36 -0.18 -0.49 0.00 -0.27 0.00 0.00 62.75 62.17 3cf0 n ILE 628 Cb 1.68 0.89 -0.04 0.00 -1.74 0.00 0.00 39.64 40.42 3cf0 n ILE 628 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3cf0 n ILE 629 N -1.44 0.84 -1.81 7.28 2.08 -0.85 -4.89 119.36 120.57 3cf0 n ILE 629 Ca 0.02 -0.21 -0.42 0.00 0.56 0.00 0.00 62.75 62.70 3cf0 n ILE 629 Cb 0.25 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.30 3cf0 n ILE 629 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3cf0 s ASP 630 N 0.01 6.53 0.38 4.38 2.15 -1.26 -4.90 116.67 123.97 3cf0 s ASP 630 Ca 0.74 2.52 0.19 0.00 0.43 0.00 0.00 52.55 56.43 3cf0 s ASP 630 Cb -0.87 -2.54 1.14 0.00 -0.30 0.00 0.00 42.92 40.36 3cf0 s ASP 630 CO 0.52 -1.00 1.71 -0.65 -0.17 0.00 0.00 175.17 175.58 3cf0 h PRO 631 N 9.96 0.32 -0.88 4.34 0.11 -1.95 -0.58 132.00 143.33 3cf0 h PRO 631 Ca -0.45 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 65.89 3cf0 h PRO 631 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3cf0 h PRO 631 CO 0.94 0.21 0.77 0.00 -0.21 0.00 0.00 178.00 179.71 3cf0 h ALA 632 N 1.69 2.73 0.00 -0.75 0.00 -1.99 0.39 119.26 121.33 3cf0 h ALA 632 Ca 0.69 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 3cf0 h ALA 632 Cb 1.75 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3cf0 h ALA 632 CO -0.42 -1.22 -0.10 0.82 0.00 0.00 0.00 179.25 178.33 3cf0 h ILE 633 N 0.00 0.82 0.00 0.00 2.04 -1.48 -2.91 117.51 115.98 3cf0 h ILE 633 Ca 0.42 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3cf0 h ILE 633 Cb 1.94 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3cf0 h ILE 633 CO -0.00 0.10 -1.02 0.18 0.00 0.00 0.00 178.15 177.40 3cf0 n LEU 634 N -4.05 0.78 -4.40 1.44 4.77 0.14 -1.30 117.00 114.38 3cf0 n LEU 634 Ca -0.02 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 3cf0 n LEU 634 Cb 0.19 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3cf0 n LEU 634 CO 0.32 -0.15 -0.15 0.54 -1.33 0.00 0.00 177.39 176.62 3cf0 n ARG 635 N -2.56 0.29 -1.53 3.23 1.74 -1.10 -4.31 116.66 112.42 3cf0 n ARG 635 Ca 0.00 0.13 -0.47 0.00 -0.77 0.00 0.00 57.85 56.74 3cf0 n ARG 635 Cb 0.53 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 3cf0 n ARG 635 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3cf0 n PRO 636 N 0.08 0.89 -0.61 5.56 -0.02 -1.26 -2.47 135.00 137.17 3cf0 n PRO 636 Ca 0.09 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3cf0 n PRO 636 Cb 0.49 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3cf0 n PRO 636 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf0 n GLY 637 N 1.65 0.75 0.00 -1.23 0.00 -1.26 -4.98 105.19 100.12 3cf0 n GLY 637 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3cf0 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf0 n ARG 638 N -2.32 0.00 -2.94 1.61 1.74 -1.03 -4.85 116.66 108.87 3cf0 n ARG 638 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 3cf0 n ARG 638 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3cf0 n ARG 638 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cf0 s LEU 639 N 0.00 5.10 0.04 0.55 1.43 -0.42 -3.59 118.68 121.79 3cf0 s LEU 639 Ca 0.00 -2.39 -0.16 0.00 -1.03 0.00 0.00 54.13 50.55 3cf0 s LEU 639 Cb 0.00 -2.39 -0.29 0.00 0.03 0.00 0.00 46.19 43.53 3cf0 s LEU 639 CO 0.00 -0.94 1.08 0.44 0.23 0.00 0.00 176.35 177.16 3cf0 h ASP 640 N 8.22 0.83 -2.80 2.29 5.19 -1.75 -3.38 116.42 125.04 3cf0 h ASP 640 Ca 0.21 -0.83 -0.64 0.00 -0.62 0.00 0.00 57.03 55.15 3cf0 h ASP 640 Cb 0.97 -0.26 -0.15 0.00 0.18 0.00 0.00 39.33 40.07 3cf0 h ASP 640 CO 1.15 1.58 0.47 -1.10 -3.12 0.00 0.00 179.24 178.22 3cf0 s GLN 641 N -2.95 3.14 0.10 3.56 -1.52 -1.22 -4.93 119.66 115.84 3cf0 s GLN 641 Ca -0.10 -0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 52.20 3cf0 s GLN 641 Cb 0.05 -4.20 -0.07 0.00 -0.22 0.00 0.00 33.01 28.57 3cf0 s GLN 641 CO 0.92 -1.70 1.27 -0.51 -0.25 0.00 0.00 175.29 175.01 3cf0 s LEU 642 N 3.82 4.38 -0.07 2.90 2.01 -1.26 -0.50 118.68 129.97 3cf0 s LEU 642 Ca 0.22 2.16 0.00 0.00 0.01 0.00 0.00 54.13 56.52 3cf0 s LEU 642 Cb -0.17 -3.59 0.02 0.00 0.01 0.00 0.00 46.19 42.47 3cf0 s LEU 642 CO 0.11 -0.52 -0.05 -0.63 1.01 0.00 0.00 176.35 176.27 3cf0 s ILE 643 N 0.89 0.66 -0.25 -0.59 1.01 0.06 -4.92 121.20 118.07 3cf0 s ILE 643 Ca 0.60 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 3cf0 s ILE 643 Cb -0.33 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3cf0 s ILE 643 CO 0.31 0.28 0.71 -0.47 0.00 0.00 0.00 174.94 175.77 3cf0 s TYR 644 N 1.36 3.30 -0.45 3.97 5.04 -1.26 -1.35 117.35 127.95 3cf0 s TYR 644 Ca -0.04 0.95 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 3cf0 s TYR 644 Cb -0.14 -2.92 0.09 0.00 0.35 0.00 0.00 41.96 39.35 3cf0 s TYR 644 CO -0.03 -0.35 0.32 0.42 -1.34 0.00 0.00 175.55 174.57 3cf0 s ILE 645 N 2.61 4.40 0.75 3.14 1.09 -0.10 -4.96 121.20 128.13 3cf0 s ILE 645 Ca 0.30 -1.48 -0.08 0.00 -1.10 0.00 0.00 60.65 58.28 3cf0 s ILE 645 Cb -0.15 -3.76 0.08 0.00 -1.06 0.00 0.00 42.46 37.57 3cf0 s ILE 645 CO 0.08 -0.62 1.08 -2.16 -0.10 0.00 0.00 174.94 173.22 3cf0 s PRO 646 N 1.44 2.00 0.54 2.79 0.04 -1.26 -3.91 135.00 136.65 3cf0 s PRO 646 Ca 0.04 -0.22 -0.21 0.00 0.04 0.00 0.00 61.00 60.66 3cf0 s PRO 646 Cb -0.25 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 3cf0 s PRO 646 CO 0.02 -1.42 1.04 1.28 0.04 0.00 0.00 177.00 177.95 3cf0 n LEU 647 N -3.07 3.65 -4.75 -3.56 4.32 -1.26 -4.92 117.00 107.40 3cf0 n LEU 647 Ca 0.09 0.90 -0.41 0.00 -0.02 0.00 0.00 56.01 56.57 3cf0 n LEU 647 Cb 0.61 -1.41 -0.03 0.00 -1.62 0.00 0.00 43.42 40.96 3cf0 n LEU 647 CO 0.52 -1.56 0.91 -2.16 -1.22 0.00 0.00 177.39 173.88 3cf0 s PRO 648 N -2.56 4.47 0.87 3.23 0.04 -1.26 -5.03 135.00 134.76 3cf0 s PRO 648 Ca 0.71 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 3cf0 s PRO 648 Cb -0.45 -3.17 0.19 0.00 0.04 0.00 0.00 34.50 31.11 3cf0 s PRO 648 CO 0.50 -0.06 1.18 -0.40 0.04 0.00 0.00 177.00 178.26 3cf0 n ASP 649 N 1.67 0.47 -0.14 6.66 5.75 -1.26 -4.71 116.55 124.99 3cf0 n ASP 649 Ca 0.02 -1.66 -0.04 0.00 -0.01 0.00 0.00 54.79 53.10 3cf0 n ASP 649 Cb 0.43 -0.87 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 3cf0 n ASP 649 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cf0 n GLU 650 N -3.42 -0.15 -0.01 0.11 4.71 -1.26 -0.58 120.64 120.03 3cf0 n GLU 650 Ca 0.16 0.85 -0.12 0.00 -0.01 0.00 0.00 57.16 58.03 3cf0 n GLU 650 Cb 0.56 -1.26 -0.08 0.00 -1.01 0.00 0.00 31.44 29.66 3cf0 n GLU 650 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3cf0 h LYS 651 N 0.00 0.11 -0.72 3.49 1.57 -1.94 -3.20 116.57 115.87 3cf0 h LYS 651 Ca 0.06 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3cf0 h LYS 651 Cb 0.14 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 3cf0 h LYS 651 CO -0.32 0.36 0.34 0.77 -0.57 0.00 0.00 179.45 180.03 3cf0 h SER 652 N -0.17 0.42 -0.96 0.86 0.02 -1.81 -0.98 113.55 110.95 3cf0 h SER 652 Ca 0.02 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3cf0 h SER 652 Cb 0.31 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 3cf0 h SER 652 CO 0.00 0.22 0.61 0.03 -1.14 0.00 0.00 176.83 176.56 3cf0 h ARG 653 N 0.56 0.91 0.39 3.45 3.08 -0.83 0.17 114.38 122.11 3cf0 h ARG 653 Ca 0.37 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3cf0 h ARG 653 Cb 0.44 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3cf0 h ARG 653 CO -0.30 0.61 -0.29 0.28 -1.07 0.00 0.00 179.97 179.19 3cf0 h VAL 654 N 0.94 0.40 -0.62 2.04 2.07 -1.25 -1.16 116.25 118.67 3cf0 h VAL 654 Ca 0.46 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.10 3cf0 h VAL 654 Cb 0.46 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 3cf0 h VAL 654 CO -0.22 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.48 3cf0 h ALA 655 N -0.14 0.72 -0.58 1.67 0.00 -0.87 0.36 119.26 120.43 3cf0 h ALA 655 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3cf0 h ALA 655 Cb 0.58 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3cf0 h ALA 655 CO 0.00 -0.33 0.34 0.82 0.00 0.00 0.00 179.25 180.08 3cf0 h ILE 656 N 0.23 1.17 -0.19 0.00 2.04 -0.44 0.53 117.51 120.83 3cf0 h ILE 656 Ca 0.33 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3cf0 h ILE 656 Cb 0.51 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3cf0 h ILE 656 CO -0.44 0.18 -0.31 -0.07 0.00 0.00 0.00 178.15 177.51 3cf0 h LEU 657 N 0.80 0.61 0.18 1.44 3.38 0.30 -1.67 115.31 120.34 3cf0 h LEU 657 Ca 0.21 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3cf0 h LEU 657 Cb -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3cf0 h LEU 657 CO -0.04 1.01 -0.08 0.11 0.09 0.00 0.00 178.44 179.53 3cf0 h LYS 658 N 0.22 -0.23 -0.93 1.13 1.57 -0.39 -1.18 116.57 116.75 3cf0 h LYS 658 Ca 0.02 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 3cf0 h LYS 658 Cb 0.89 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.16 3cf0 h LYS 658 CO 0.07 -0.14 0.55 0.00 -0.57 0.00 0.00 179.45 179.36 3cf0 h ALA 659 N 0.58 1.43 0.00 3.86 0.00 0.01 0.17 119.26 125.31 3cf0 h ALA 659 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cf0 h ALA 659 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cf0 h ALA 659 CO 0.04 0.08 0.00 -0.91 0.00 0.00 0.00 179.25 178.46 3cf0 h ASN 660 N 0.83 0.00 -0.01 0.00 4.21 -0.76 -3.07 115.58 116.77 3cf0 h ASN 660 Ca 0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.00 3cf0 h ASN 660 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 3cf0 h ASN 660 CO -0.31 0.00 -0.04 0.18 -1.29 0.00 0.00 177.43 175.97 3cf0 n LEU 661 N -2.36 1.46 -0.32 1.61 4.77 -0.29 -4.70 117.00 117.16 3cf0 n LEU 661 Ca 0.04 -0.94 0.16 0.00 -0.03 0.00 0.00 56.01 55.23 3cf0 n LEU 661 Cb 0.34 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.74 3cf0 n LEU 661 CO 0.26 0.30 0.77 0.54 -1.33 0.00 0.00 177.39 177.93 3cf0 n ARG 662 N 0.22 -0.07 -1.74 3.23 1.74 0.45 -0.21 116.66 120.28 3cf0 n ARG 662 Ca 0.04 1.40 -0.36 0.00 -0.77 0.00 0.00 57.85 58.16 3cf0 n ARG 662 Cb 0.18 -2.25 0.05 0.00 -1.02 0.00 0.00 32.46 29.42 3cf0 n ARG 662 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cf0 n LYS 663 N -5.37 2.86 -3.96 5.56 5.02 -1.26 -4.97 118.16 116.05 3cf0 n LYS 663 Ca 0.24 -3.57 -0.10 0.00 -2.02 0.00 0.00 58.31 52.86 3cf0 n LYS 663 Cb 0.77 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.39 3cf0 n LYS 663 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cf0 s SER 664 N -1.80 0.19 -1.30 4.39 0.01 0.71 -5.09 113.70 110.81 3cf0 s SER 664 Ca 0.57 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 57.26 3cf0 s SER 664 Cb 0.46 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.87 3cf0 s SER 664 CO -0.20 -0.25 1.73 -2.65 0.41 0.00 0.00 173.24 172.28 3cf0 n PRO 665 N 1.84 3.21 -2.49 12.44 -0.02 -1.26 -4.97 135.00 143.75 3cf0 n PRO 665 Ca -0.22 -3.33 -0.43 0.00 -2.02 0.00 0.00 63.50 57.51 3cf0 n PRO 665 Cb 0.56 -3.39 -0.02 0.00 -0.02 0.00 0.00 33.50 30.63 3cf0 n PRO 665 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3cf0 s VAL 666 N 3.58 4.37 0.39 -1.45 -7.23 -1.26 -0.25 120.40 118.56 3cf0 s VAL 666 Ca 0.51 1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 62.09 3cf0 s VAL 666 Cb 0.04 -4.08 -0.11 0.00 0.56 0.00 0.00 36.38 32.79 3cf0 s VAL 666 CO 0.05 -0.11 1.17 0.00 -0.31 0.00 0.00 175.10 175.89 3cf0 n ALA 667 N 6.23 0.79 -0.23 1.32 0.00 0.31 -4.90 120.51 124.03 3cf0 n ALA 667 Ca 0.13 0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.80 3cf0 n ALA 667 Cb 0.45 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.77 3cf0 n ALA 667 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cf0 h LYS 668 N 2.02 0.87 -0.85 0.00 1.57 -1.94 -3.09 116.57 115.15 3cf0 h LYS 668 Ca -0.45 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 3cf0 h LYS 668 Cb 1.31 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 3cf0 h LYS 668 CO 0.60 0.61 0.45 0.38 -0.57 0.00 0.00 179.45 180.92 3cf0 h ASP 669 N 0.88 1.07 -1.36 0.86 2.03 -1.98 -3.45 116.42 114.46 3cf0 h ASP 669 Ca 0.23 -0.10 -0.76 0.00 -0.73 0.00 0.00 57.03 55.67 3cf0 h ASP 669 Cb -0.05 -0.27 0.01 0.00 -0.83 0.00 0.00 39.33 38.19 3cf0 h ASP 669 CO -0.05 0.87 0.91 0.52 -1.03 0.00 0.00 179.24 180.46 3cf0 n VAL 670 N -4.33 0.24 -3.47 4.15 0.31 -1.17 -4.92 118.33 109.14 3cf0 n VAL 670 Ca 0.09 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.93 3cf0 n VAL 670 Cb 0.11 -1.10 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 3cf0 n VAL 670 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cf0 s ASP 671 N 3.78 6.01 0.05 4.52 2.15 -1.26 -4.93 116.67 126.99 3cf0 s ASP 671 Ca 1.01 -1.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.72 3cf0 s ASP 671 Cb -1.15 -2.13 -0.32 0.00 -0.30 0.00 0.00 42.92 39.02 3cf0 s ASP 671 CO 0.68 -0.53 1.05 -0.07 -0.17 0.00 0.00 175.17 176.13 3cf0 h LEU 672 N 8.62 0.64 -1.99 -1.34 3.38 -1.99 -2.95 115.31 119.70 3cf0 h LEU 672 Ca -0.27 -0.70 0.15 0.00 0.09 0.00 0.00 57.88 57.15 3cf0 h LEU 672 Cb 1.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3cf0 h LEU 672 CO 0.79 1.55 0.46 -0.33 0.09 0.00 0.00 178.44 180.99 3cf0 h GLU 673 N 0.11 0.00 0.00 1.13 3.07 -1.94 0.46 114.58 117.41 3cf0 h GLU 673 Ca -0.20 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 3cf0 h GLU 673 Cb 2.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.98 3cf0 h GLU 673 CO 0.24 0.00 -0.21 0.35 -1.40 0.00 0.00 179.01 177.99 3cf0 h PHE 674 N 0.00 0.00 -0.96 4.33 3.57 -1.98 -3.07 116.94 118.83 3cf0 h PHE 674 Ca 0.24 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.97 3cf0 h PHE 674 Cb 1.15 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.77 3cf0 h PHE 674 CO 0.00 1.03 0.51 -0.07 -2.23 0.00 0.00 178.31 177.55 3cf0 h LEU 675 N -1.00 0.53 -1.11 0.59 3.38 -0.94 0.29 115.31 117.04 3cf0 h LEU 675 Ca -0.06 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cf0 h LEU 675 Cb 1.00 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3cf0 h LEU 675 CO -0.03 0.06 0.49 0.00 0.09 0.00 0.00 178.44 179.04 3cf0 h ALA 676 N 1.72 1.34 0.00 1.53 0.00 -0.24 -2.11 119.26 121.50 3cf0 h ALA 676 Ca 0.61 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 3cf0 h ALA 676 Cb 1.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3cf0 h ALA 676 CO -0.50 0.57 -0.36 0.87 0.00 0.00 0.00 179.25 179.83 3cf0 h LYS 677 N 1.12 0.00 0.00 0.00 1.79 -0.43 -3.15 116.57 115.89 3cf0 h LYS 677 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3cf0 h LYS 677 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3cf0 h LYS 677 CO -0.06 0.36 0.00 -1.33 -1.08 0.00 0.00 179.45 177.35 3cf0 n MET 678 N -3.74 0.29 -4.83 3.15 2.81 -0.03 -4.85 117.12 109.91 3cf0 n MET 678 Ca -0.01 0.05 -0.26 0.00 -1.81 0.00 0.00 57.70 55.67 3cf0 n MET 678 Cb 0.45 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 31.30 3cf0 n MET 678 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cf0 s THR 679 N -2.66 1.42 0.00 2.03 -4.23 -1.18 -5.08 115.64 105.93 3cf0 s THR 679 Ca 0.22 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3cf0 s THR 679 Cb 0.17 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.79 3cf0 s THR 679 CO 0.41 0.41 0.00 0.59 -0.54 0.00 0.00 174.62 175.49 3cf0 n ASN 680 N 3.13 0.00 -0.35 3.99 3.02 -1.26 -4.76 115.26 119.03 3cf0 n ASN 680 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3cf0 n ASN 680 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3cf0 n ASN 680 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cf0 n GLY 681 N 3.62 0.00 3.66 7.41 0.00 -1.26 -4.48 105.19 114.13 3cf0 n GLY 681 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3cf0 n GLY 681 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cf0 s PHE 682 N -0.88 3.22 0.45 1.61 0.40 -1.26 -3.88 117.98 117.64 3cf0 s PHE 682 Ca 0.00 1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 57.67 3cf0 s PHE 682 Cb 0.00 -3.39 -0.01 0.00 0.51 0.00 0.00 43.02 40.13 3cf0 s PHE 682 CO 0.00 -0.72 0.68 -1.54 0.70 0.00 0.00 175.22 174.34 3cf0 s SER 683 N 1.42 5.96 0.22 1.36 1.04 -1.26 -4.21 113.70 118.23 3cf0 s SER 683 Ca 0.46 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.22 3cf0 s SER 683 Cb -0.15 -1.75 0.29 0.00 0.10 0.00 0.00 66.02 64.50 3cf0 s SER 683 CO 0.09 -0.63 1.63 1.23 0.98 0.00 0.00 173.24 176.54 3cf0 h GLY 684 N 0.39 0.57 -0.11 7.32 0.00 -1.30 0.93 103.07 110.87 3cf0 h GLY 684 Ca -0.47 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.12 3cf0 h GLY 684 CO 0.59 -0.25 -0.24 0.00 0.00 0.00 0.00 176.54 176.64 3cf0 h ALA 685 N 1.64 0.04 -0.85 3.60 0.00 -1.43 0.11 119.26 122.37 3cf0 h ALA 685 Ca 0.33 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.55 3cf0 h ALA 685 Cb 0.53 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3cf0 h ALA 685 CO -0.64 -0.60 0.56 -0.44 0.00 0.00 0.00 179.25 178.13 3cf0 h ASP 686 N -0.15 0.51 0.14 0.00 3.32 -1.11 0.63 116.42 119.75 3cf0 h ASP 686 Ca 0.21 0.04 -0.25 0.00 0.02 0.00 0.00 57.03 57.04 3cf0 h ASP 686 Cb 0.48 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.00 3cf0 h ASP 686 CO -0.54 0.24 -1.08 -0.07 -1.72 0.00 0.00 179.24 176.07 3cf0 h LEU 687 N 0.53 0.70 -0.69 1.55 3.38 -0.37 -2.79 115.31 117.63 3cf0 h LEU 687 Ca 0.43 -0.88 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3cf0 h LEU 687 Cb 0.89 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3cf0 h LEU 687 CO -0.18 1.52 0.39 0.74 0.09 0.00 0.00 178.44 181.00 3cf0 h THR 688 N -0.01 0.97 -0.79 0.22 2.02 -0.59 -2.09 112.91 112.64 3cf0 h THR 688 Ca -0.18 -0.24 0.12 0.00 0.77 0.00 0.00 66.41 66.88 3cf0 h THR 688 Cb 1.81 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 3cf0 h THR 688 CO 0.21 0.13 0.41 -0.08 0.37 0.00 0.00 175.52 176.55 3cf0 h GLU 689 N 0.71 0.62 0.61 6.66 4.57 -0.77 -1.23 114.58 125.74 3cf0 h GLU 689 Ca 0.31 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3cf0 h GLU 689 Cb 0.19 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3cf0 h GLU 689 CO -0.18 0.41 -0.44 0.82 -1.18 0.00 0.00 179.01 178.44 3cf0 h ILE 690 N 0.63 0.00 -0.72 2.32 2.04 -1.11 -2.23 117.51 118.45 3cf0 h ILE 690 Ca 0.41 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.39 3cf0 h ILE 690 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.46 3cf0 h ILE 690 CO -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.48 3cf0 h GLN 692 N -0.11 0.33 -0.50 0.00 4.20 -1.16 0.25 115.11 118.11 3cf0 h GLN 692 Ca 0.27 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 3cf0 h GLN 692 Cb 0.57 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3cf0 h GLN 692 CO -0.78 0.22 0.10 0.00 -0.67 0.00 0.00 178.83 177.70 3cf0 h ARG 693 N 0.34 0.78 -0.01 1.46 3.08 -0.07 0.19 114.38 120.14 3cf0 h ARG 693 Ca 0.39 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3cf0 h ARG 693 Cb 0.61 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3cf0 h ARG 693 CO -0.44 0.72 0.01 0.00 -1.07 0.00 0.00 179.97 179.19 3cf0 h ALA 694 N 1.36 0.02 0.17 0.04 0.00 0.73 -0.99 119.26 120.58 3cf0 h ALA 694 Ca 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3cf0 h ALA 694 Cb 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3cf0 h ALA 694 CO 0.00 -0.41 -0.48 0.00 0.00 0.00 0.00 179.25 178.36 3cf0 h LYS 696 N -0.75 0.10 -0.06 0.00 1.57 -0.87 0.38 116.57 116.95 3cf0 h LYS 696 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3cf0 h LYS 696 Cb 0.75 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.04 3cf0 h LYS 696 CO -0.24 0.07 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.14 3cf0 h LEU 697 N 0.11 0.53 -0.19 2.94 3.38 -0.46 -2.19 115.31 119.42 3cf0 h LEU 697 Ca 0.50 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3cf0 h LEU 697 Cb 1.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3cf0 h LEU 697 CO -0.07 1.14 0.09 0.00 0.09 0.00 0.00 178.44 179.69 3cf0 h ALA 698 N 0.40 0.24 0.23 1.53 0.00 0.77 0.22 119.26 122.65 3cf0 h ALA 698 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3cf0 h ALA 698 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3cf0 h ALA 698 CO 0.10 -0.19 -0.30 0.82 0.00 0.00 0.00 179.25 179.68 3cf0 h ILE 699 N 0.18 0.36 -0.25 0.00 2.04 -0.50 0.80 117.51 120.14 3cf0 h ILE 699 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3cf0 h ILE 699 Cb 0.12 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3cf0 h ILE 699 CO -0.01 0.00 0.17 -0.09 0.00 0.00 0.00 178.15 178.22 3cf0 h ARG 700 N -0.58 0.25 0.01 2.37 2.43 -1.39 0.13 114.38 117.59 3cf0 h ARG 700 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 3cf0 h ARG 700 Cb 0.56 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3cf0 h ARG 700 CO -0.11 0.16 -0.87 1.49 -1.51 0.00 0.00 179.97 179.14 3cf0 h GLU 701 N 0.25 0.11 0.03 0.20 4.22 -0.10 -2.68 114.58 116.61 3cf0 h GLU 701 Ca 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 3cf0 h GLU 701 Cb 0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cf0 h GLU 701 CO -0.02 0.91 -0.01 1.03 -2.18 0.00 0.00 179.01 178.73 3cf0 h SER 702 N 0.06 -0.03 -1.55 1.04 0.87 0.19 -3.24 113.55 110.89 3cf0 h SER 702 Ca -0.03 0.00 0.45 0.00 -1.23 0.00 0.00 61.79 60.98 3cf0 h SER 702 Cb 1.51 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.41 3cf0 h SER 702 CO 0.12 0.00 1.14 0.40 -0.53 0.00 0.00 176.83 177.96 3cf0 h ILE 703 N -0.09 0.20 0.58 2.23 2.04 -0.95 0.12 117.51 121.64 3cf0 h ILE 703 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3cf0 h ILE 703 Cb 0.03 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3cf0 h ILE 703 CO 0.01 0.00 -0.28 -0.08 0.00 0.00 0.00 178.15 177.79 3cf0 h GLU 704 N 0.00 -0.76 -0.77 2.37 4.81 -1.57 -3.24 114.58 115.42 3cf0 h GLU 704 Ca 0.73 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 60.06 3cf0 h GLU 704 Cb 3.00 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 32.50 3cf0 h GLU 704 CO -0.01 -0.50 0.48 0.66 -0.73 0.00 0.00 179.01 178.91 3cf0 h SER 705 N -0.78 0.78 0.87 1.04 4.64 -0.78 -3.12 113.55 116.19 3cf0 h SER 705 Ca -0.08 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3cf0 h SER 705 Cb 0.60 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3cf0 h SER 705 CO 0.13 0.52 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.86 3cf0 h GLU 706 N 0.92 -1.13 0.00 4.77 5.08 -1.65 -3.53 114.58 119.04 3cf0 h GLU 706 Ca 0.32 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3cf0 h GLU 706 Cb 0.07 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cf0 h GLU 706 CO -0.14 -0.75 0.00 -0.89 -1.00 0.00 0.00 179.01 176.23 3cf0 n ILE 707 N -5.47 0.00 0.00 3.13 2.08 -1.18 -5.17 119.36 112.74 3cf0 n ILE 707 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3cf0 n ILE 707 Cb 0.46 -0.47 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 3cf0 n ILE 707 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3cf0 n VAL 728 N -0.88 0.00 -3.30 1.39 0.31 -1.26 -5.04 118.33 109.55 3cf0 n VAL 728 Ca 0.15 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 64.02 3cf0 n VAL 728 Cb 0.07 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 3cf0 n VAL 728 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3cf0 s PRO 729 N -0.57 3.21 -0.12 5.55 0.04 -1.26 -4.94 135.00 136.91 3cf0 s PRO 729 Ca 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 61.00 59.04 3cf0 s PRO 729 Cb 0.00 -4.35 0.06 0.00 0.04 0.00 0.00 34.50 30.25 3cf0 s PRO 729 CO 0.00 -1.33 0.25 -1.21 0.04 0.00 0.00 177.00 174.75 3cf0 s GLU 730 N 1.17 0.15 -0.25 4.56 8.01 -1.26 -4.94 118.70 126.14 3cf0 s GLU 730 Ca 0.09 0.71 -0.29 0.00 0.01 0.00 0.00 54.97 55.49 3cf0 s GLU 730 Cb -0.23 -0.06 -0.03 0.00 -4.31 0.00 0.00 34.13 29.51 3cf0 s GLU 730 CO -0.01 -0.27 1.69 -1.50 0.01 0.00 0.00 175.26 175.18 3cf0 s ILE 731 N 2.24 3.59 0.43 -1.63 -1.16 0.66 -4.69 121.20 120.65 3cf0 s ILE 731 Ca -0.00 0.65 0.06 0.00 -0.51 0.00 0.00 60.65 60.84 3cf0 s ILE 731 Cb -0.12 -3.66 -0.06 0.00 0.61 0.00 0.00 42.46 39.23 3cf0 s ILE 731 CO -0.08 -0.33 0.01 0.00 -2.81 0.00 0.00 174.94 171.73 3cf0 s ARG 732 N 5.01 2.02 0.08 3.50 1.70 -1.26 -0.53 118.95 129.47 3cf0 s ARG 732 Ca 0.75 -2.18 -0.15 0.00 -0.47 0.00 0.00 55.73 53.68 3cf0 s ARG 732 Cb -0.25 -1.62 -0.03 0.00 -0.57 0.00 0.00 34.95 32.48 3cf0 s ARG 732 CO 0.31 -0.13 1.01 -2.13 -1.08 0.00 0.00 175.30 173.29 3cf0 n ARG 733 N -1.05 -0.21 0.32 3.89 0.63 -1.26 -0.64 116.66 118.35 3cf0 n ARG 733 Ca -0.08 1.00 0.21 0.00 -0.92 0.00 0.00 57.85 58.06 3cf0 n ARG 733 Cb 0.67 -1.48 1.08 0.00 0.45 0.00 0.00 32.46 33.18 3cf0 n ARG 733 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 3cf0 h ASP 734 N 0.00 0.00 -0.01 6.15 2.03 -1.98 0.76 116.42 123.37 3cf0 h ASP 734 Ca 0.08 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.37 3cf0 h ASP 734 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3cf0 h ASP 734 CO -0.45 0.00 -0.04 0.45 -1.03 0.00 0.00 179.24 178.17 3cf0 h HIS 735 N 0.00 0.07 -0.62 4.15 3.86 -1.24 -0.87 115.15 120.50 3cf0 h HIS 735 Ca 0.00 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3cf0 h HIS 735 Cb 0.14 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 3cf0 h HIS 735 CO 0.00 0.64 0.39 0.74 0.86 0.00 0.00 177.93 180.55 3cf0 h PHE 736 N -0.53 0.72 0.05 2.45 0.04 -1.07 0.15 116.94 118.75 3cf0 h PHE 736 Ca -0.00 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3cf0 h PHE 736 Cb 0.64 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3cf0 h PHE 736 CO 0.13 0.42 -0.29 0.93 -0.60 0.00 0.00 178.31 178.90 3cf0 h GLU 737 N 0.76 -0.45 0.00 1.51 5.08 -0.91 0.20 114.58 120.77 3cf0 h GLU 737 Ca 0.25 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3cf0 h GLU 737 Cb 0.01 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3cf0 h GLU 737 CO -0.10 -0.30 -0.24 1.49 -1.00 0.00 0.00 179.01 178.86 3cf0 h GLU 738 N -0.47 0.00 -0.11 2.33 4.22 -0.94 -1.84 114.58 117.77 3cf0 h GLU 738 Ca 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 3cf0 h GLU 738 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3cf0 h GLU 738 CO -0.22 0.24 -0.44 0.00 -2.18 0.00 0.00 179.01 176.41 3cf0 h ALA 739 N 1.76 1.06 0.00 2.92 0.00 -0.08 -2.87 119.26 122.06 3cf0 h ALA 739 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3cf0 h ALA 739 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cf0 h ALA 739 CO 0.03 0.61 -0.03 0.52 0.00 0.00 0.00 179.25 180.38 3cf0 h MET 740 N 0.21 0.00 0.00 0.00 2.86 -0.09 -2.71 114.93 115.20 3cf0 h MET 740 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3cf0 h MET 740 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3cf0 h MET 740 CO 0.07 0.03 0.00 0.54 1.06 0.00 0.00 176.91 178.61 3cf0 n ARG 741 N -3.18 0.02 -1.51 1.72 5.12 -1.08 -2.61 116.66 115.13 3cf0 n ARG 741 Ca -0.01 0.35 -0.00 0.00 -1.93 0.00 0.00 57.85 56.26 3cf0 n ARG 741 Cb 0.24 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.12 3cf0 n ARG 741 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3cf0 n PHE 742 N -1.46 0.64 -2.86 -1.55 3.01 -1.02 -5.07 117.46 109.14 3cf0 n PHE 742 Ca 0.02 -1.37 -0.41 0.00 1.01 0.00 0.00 57.45 56.70 3cf0 n PHE 742 Cb 0.08 -0.23 -0.04 0.00 -0.01 0.00 0.00 39.48 39.28 3cf0 n PHE 742 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cf0 s ALA 743 N -2.25 3.29 0.53 4.37 0.00 -1.07 -5.00 121.76 121.63 3cf0 s ALA 743 Ca 0.37 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.69 3cf0 s ALA 743 Cb 0.37 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 20.35 3cf0 s ALA 743 CO -0.08 -0.26 0.46 1.03 0.00 0.00 0.00 175.76 176.91 3cf0 s ARG 744 N 1.15 2.30 -0.14 0.00 1.81 -1.26 -5.12 118.95 117.69 3cf0 s ARG 744 Ca 0.44 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.57 3cf0 s ARG 744 Cb -0.19 -2.23 0.03 0.00 -0.45 0.00 0.00 34.95 32.10 3cf0 s ARG 744 CO 0.21 -0.59 -0.11 1.03 -0.68 0.00 0.00 175.30 175.16 3cf0 s ARG 745 N -4.32 1.97 0.17 3.54 0.52 -1.26 -4.88 118.95 114.68 3cf0 s ARG 745 Ca 0.41 -0.47 -0.09 0.00 -0.52 0.00 0.00 55.73 55.06 3cf0 s ARG 745 Cb -0.03 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.53 3cf0 s ARG 745 CO 0.25 -0.27 1.54 0.66 0.02 0.00 0.00 175.30 177.51 3cf0 h SER 746 N 8.10 0.97 -3.41 0.23 4.64 -1.96 -3.42 113.55 118.69 3cf0 h SER 746 Ca -0.34 -0.39 -0.60 0.00 -0.47 0.00 0.00 61.79 59.99 3cf0 h SER 746 Cb 1.13 -0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 62.84 3cf0 h SER 746 CO 0.48 1.17 -0.31 -0.69 -0.87 0.00 0.00 176.83 176.61 3cf0 s VAL 747 N -4.56 5.28 0.29 0.95 1.01 -1.25 -5.07 120.40 117.05 3cf0 s VAL 747 Ca -0.11 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 3cf0 s VAL 747 Cb 0.12 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 3cf0 s VAL 747 CO 0.87 0.33 0.63 -0.94 0.00 0.00 0.00 175.10 175.99 3cf0 s SER 748 N 0.78 6.61 0.30 3.32 1.04 -1.26 -4.80 113.70 119.69 3cf0 s SER 748 Ca 0.16 1.01 0.05 0.00 0.48 0.00 0.00 55.95 57.64 3cf0 s SER 748 Cb -0.14 -2.26 0.81 0.00 0.10 0.00 0.00 66.02 64.53 3cf0 s SER 748 CO 0.05 -0.19 1.62 -2.24 0.98 0.00 0.00 173.24 173.47 3cf0 h ASP 749 N 2.09 -0.06 0.11 7.02 3.04 -1.97 -0.42 116.42 126.23 3cf0 h ASP 749 Ca -0.47 0.22 0.02 0.00 -3.24 0.00 0.00 57.03 53.56 3cf0 h ASP 749 Cb 1.18 0.31 -0.04 0.00 -1.04 0.00 0.00 39.33 39.74 3cf0 h ASP 749 CO 0.67 -0.24 -0.33 0.78 -2.04 0.00 0.00 179.24 178.09 3cf0 h ASN 750 N 0.14 -0.94 -0.25 4.15 2.35 -1.99 0.23 115.58 119.27 3cf0 h ASN 750 Ca 0.60 0.11 0.06 0.00 -0.55 0.00 0.00 56.30 56.52 3cf0 h ASN 750 Cb 1.29 0.36 -0.06 0.00 0.05 0.00 0.00 38.32 39.96 3cf0 h ASN 750 CO -0.73 -0.41 -0.13 0.44 -1.65 0.00 0.00 177.43 174.95 3cf0 h ASP 751 N -0.55 -0.42 -0.14 5.81 3.32 -1.69 0.86 116.42 123.61 3cf0 h ASP 751 Ca 0.03 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3cf0 h ASP 751 Cb 0.58 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 3cf0 h ASP 751 CO -0.20 -0.16 -0.31 0.40 -1.72 0.00 0.00 179.24 177.26 3cf0 h ILE 752 N -0.09 0.31 -0.57 0.35 2.04 -0.66 0.62 117.51 119.51 3cf0 h ILE 752 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 3cf0 h ILE 752 Cb 0.30 0.31 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 3cf0 h ILE 752 CO -0.31 0.00 -0.31 0.03 0.00 0.00 0.00 178.15 177.56 3cf0 h ARG 753 N -0.38 -0.15 -0.98 2.37 3.08 0.02 0.24 114.38 118.59 3cf0 h ARG 753 Ca 0.10 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.36 3cf0 h ARG 753 Cb 0.53 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.50 3cf0 h ARG 753 CO -0.35 -0.10 0.58 0.87 -1.07 0.00 0.00 179.97 179.89 3cf0 h LYS 754 N -0.15 0.67 -0.43 0.04 1.57 0.52 -0.12 116.57 118.66 3cf0 h LYS 754 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3cf0 h LYS 754 Cb 0.54 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3cf0 h LYS 754 CO -0.66 0.44 0.04 1.88 -0.57 0.00 0.00 179.45 180.58 3cf0 h TYR 755 N 0.69 0.70 -0.50 -1.35 -1.99 0.17 -1.85 116.97 112.84 3cf0 h TYR 755 Ca 0.58 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 61.16 3cf0 h TYR 755 Cb 0.96 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 3cf0 h TYR 755 CO -0.02 0.64 0.00 0.93 -0.00 0.00 0.00 178.16 179.71 3cf0 h GLU 756 N 0.64 0.83 0.46 4.88 4.39 -0.62 1.83 114.58 127.00 3cf0 h GLU 756 Ca 0.14 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3cf0 h GLU 756 Cb 0.35 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3cf0 h GLU 756 CO 0.01 0.83 -0.22 0.52 -1.16 0.00 0.00 179.01 178.98 3cf0 h MET 757 N 0.77 -0.60 -0.10 2.33 2.86 -0.98 0.50 114.93 119.71 3cf0 h MET 757 Ca 0.15 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3cf0 h MET 757 Cb 0.46 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3cf0 h MET 757 CO 0.02 -0.39 -0.16 0.74 1.06 0.00 0.00 176.91 178.19 3cf0 h PHE 758 N -0.64 -0.40 0.00 -0.22 0.05 -0.67 -1.83 116.94 113.23 3cf0 h PHE 758 Ca -0.06 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.75 3cf0 h PHE 758 Cb 0.49 0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.63 3cf0 h PHE 758 CO -0.04 -0.23 -0.01 0.00 -0.18 0.00 0.00 178.31 177.86 3cf0 h ALA 759 N 0.82 1.73 0.28 2.45 0.00 0.32 -0.42 119.26 124.44 3cf0 h ALA 759 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cf0 h ALA 759 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cf0 h ALA 759 CO -0.22 0.01 -0.14 0.37 0.00 0.00 0.00 179.25 179.27 3cf0 h GLN 760 N 0.00 -0.36 0.08 0.00 4.15 0.88 -2.47 115.11 117.39 3cf0 h GLN 760 Ca -0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3cf0 h GLN 760 Cb 0.02 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3cf0 h GLN 760 CO 0.00 -0.24 -0.08 1.79 -1.93 0.00 0.00 178.83 178.37 3cf0 h THR 761 N -0.66 0.81 -0.45 2.39 1.35 -1.47 -3.04 112.91 111.84 3cf0 h THR 761 Ca -0.04 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.92 3cf0 h THR 761 Cb 0.29 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 3cf0 h THR 761 CO 0.06 0.00 0.31 -0.07 -0.25 0.00 0.00 175.52 175.58 3cf0 h LEU 762 N -0.18 0.14 -1.54 3.87 3.38 -1.22 -3.52 115.31 116.23 3cf0 h LEU 762 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cf0 h LEU 762 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3cf0 h LEU 762 CO -0.02 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.59