#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py3 n PRO 469 N 0.00 1.73 -2.59 1.96 -0.02 -1.26 -4.91 135.00 129.91 2py3 n PRO 469 Ca 0.00 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 2py3 n PRO 469 Cb 0.00 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 2py3 n PRO 469 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2py3 s GLU 470 N -0.78 4.59 -0.58 -0.52 -1.05 -1.26 -4.98 118.70 114.12 2py3 s GLU 470 Ca 0.66 1.61 0.05 0.00 -0.15 0.00 0.00 54.97 57.13 2py3 s GLU 470 Cb -0.70 -3.35 0.17 0.00 -0.44 0.00 0.00 34.13 29.82 2py3 s GLU 470 CO 0.54 0.03 0.43 0.34 0.95 0.00 0.00 175.26 177.55 2py3 s ASP 471 N 0.31 3.46 0.29 0.83 3.68 -1.26 -4.99 116.67 119.00 2py3 s ASP 471 Ca 0.51 -3.52 -0.02 0.00 2.13 0.00 0.00 52.55 51.64 2py3 s ASP 471 Cb -0.26 -1.15 0.63 0.00 -1.45 0.00 0.00 42.92 40.69 2py3 s ASP 471 CO 0.31 -0.12 1.57 -0.65 0.13 0.00 0.00 175.17 176.41 2py3 h PRO 472 N 5.52 0.01 -0.90 4.34 0.11 -1.94 0.07 132.00 139.21 2py3 h PRO 472 Ca 0.19 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.54 2py3 h PRO 472 Cb 0.82 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.79 2py3 h PRO 472 CO 0.58 0.01 0.30 -0.22 -0.21 0.00 0.00 178.00 178.46 2py3 h LYS 473 N 0.01 0.24 0.00 1.05 3.64 -2.02 -2.41 116.57 117.09 2py3 h LYS 473 Ca 0.54 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2py3 h LYS 473 Cb 1.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2py3 h LYS 473 CO -0.94 0.16 -1.35 0.91 -2.27 0.00 0.00 179.45 175.97 2py3 n TRP 474 N -5.18 0.00 -1.76 1.91 7.02 -0.07 -5.00 117.44 114.37 2py3 n TRP 474 Ca 0.23 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.29 2py3 n TRP 474 Cb 0.72 -0.18 -0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2py3 n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2py3 n GLU 475 N -1.77 2.60 -4.51 -0.99 4.07 -0.74 -1.54 120.64 117.76 2py3 n GLU 475 Ca 0.01 0.91 -0.23 0.00 -0.06 0.00 0.00 57.16 57.79 2py3 n GLU 475 Cb 0.41 -2.63 -0.16 0.00 -0.06 0.00 0.00 31.44 28.99 2py3 n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2py3 s PHE 476 N -0.90 1.27 0.18 4.31 5.36 -0.88 -4.77 117.98 122.55 2py3 s PHE 476 Ca 0.56 -0.42 -0.32 0.00 -0.96 0.00 0.00 56.93 55.79 2py3 s PHE 476 Cb -0.49 -0.94 -0.11 0.00 -0.34 0.00 0.00 43.02 41.14 2py3 s PHE 476 CO 0.61 -0.22 1.72 -1.25 -1.46 0.00 0.00 175.22 174.62 2py3 s PRO 477 N 0.55 4.14 0.33 10.12 0.04 -1.26 -4.38 135.00 144.54 2py3 s PRO 477 Ca -0.11 2.56 0.01 0.00 0.04 0.00 0.00 61.00 63.50 2py3 s PRO 477 Cb -0.14 -3.21 0.55 0.00 0.04 0.00 0.00 34.50 31.75 2py3 s PRO 477 CO 0.02 -0.75 1.94 0.00 0.04 0.00 0.00 177.00 178.25 2py3 h ARG 478 N 7.21 0.81 0.00 4.56 3.08 -1.97 -2.48 114.38 125.59 2py3 h ARG 478 Ca -0.44 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2py3 h ARG 478 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2py3 h ARG 478 CO 0.95 0.62 0.00 -0.40 -1.07 0.00 0.00 179.97 180.07 2py3 n ASP 479 N -4.37 0.61 -0.85 7.04 5.68 -1.26 -1.43 116.55 121.97 2py3 n ASP 479 Ca 0.05 0.70 0.12 0.00 -0.50 0.00 0.00 54.79 55.17 2py3 n ASP 479 Cb 0.12 -0.81 0.23 0.00 -1.14 0.00 0.00 41.12 39.52 2py3 n ASP 479 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2py3 n LYS 480 N -2.23 2.16 -4.09 0.11 4.76 -0.93 -4.88 118.16 113.07 2py3 n LYS 480 Ca 0.01 -1.70 -0.34 0.00 -2.87 0.00 0.00 58.31 53.40 2py3 n LYS 480 Cb 0.15 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 2py3 n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2py3 s LEU 481 N -1.90 2.86 -0.36 -0.35 2.96 -0.51 -1.38 118.68 120.01 2py3 s LEU 481 Ca 0.32 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2py3 s LEU 481 Cb 0.20 -1.71 0.10 0.00 0.50 0.00 0.00 46.19 45.28 2py3 s LEU 481 CO 0.31 0.03 0.10 -0.89 -1.32 0.00 0.00 176.35 174.57 2py3 s THR 482 N 1.20 2.69 0.46 3.68 2.01 -0.46 -4.98 115.64 120.25 2py3 s THR 482 Ca 0.02 -2.15 -0.25 0.00 0.31 0.00 0.00 61.69 59.63 2py3 s THR 482 Cb -0.14 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.41 2py3 s THR 482 CO -0.02 -0.57 1.38 0.18 -0.69 0.00 0.00 174.62 174.90 2py3 n LEU 483 N 4.41 4.92 0.00 4.42 4.77 -1.26 -1.86 117.00 132.40 2py3 n LEU 483 Ca -0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 2py3 n LEU 483 Cb 0.42 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2py3 n LEU 483 CO 0.26 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2py3 n GLY 484 N 0.67 5.19 3.68 -0.72 0.00 0.11 -4.92 105.19 109.20 2py3 n GLY 484 Ca 0.06 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 2py3 n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2py3 s LYS 485 N 2.10 1.13 0.52 1.61 0.00 -1.26 -4.45 119.74 119.38 2py3 s LYS 485 Ca 0.00 1.56 -0.18 0.00 0.00 0.00 0.00 55.97 57.35 2py3 s LYS 485 Cb 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 37.83 36.02 2py3 s LYS 485 CO 0.00 -2.56 1.02 -2.14 0.00 0.00 0.00 175.35 171.68 2py3 s PRO 486 N -4.60 3.71 0.06 1.78 0.02 -1.26 -0.25 135.00 134.46 2py3 s PRO 486 Ca 0.67 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.89 2py3 s PRO 486 Cb -0.23 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.20 2py3 s PRO 486 CO 0.57 -0.49 0.00 1.28 -0.33 0.00 0.00 177.00 178.03 2py3 n LEU 487 N -1.43 0.48 0.00 -5.54 4.77 0.23 -4.73 117.00 110.78 2py3 n LEU 487 Ca 0.08 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2py3 n LEU 487 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2py3 n LEU 487 CO 0.43 -0.63 0.00 2.22 -1.33 0.00 0.00 177.39 178.08 2py3 n PHE 492 N -3.00 0.00 -0.64 -1.77 -0.00 -1.26 -4.94 117.46 105.85 2py3 n PHE 492 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2py3 n PHE 492 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2py3 n PHE 492 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2py3 n GLY 493 N 0.00 1.05 3.51 4.97 0.00 -1.26 -4.51 105.19 108.95 2py3 n GLY 493 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2py3 n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2py3 s GLN 494 N 4.02 0.70 -0.13 1.61 -1.52 0.74 -4.67 119.66 120.41 2py3 s GLN 494 Ca 0.00 0.87 -0.04 0.00 -1.95 0.00 0.00 55.36 54.24 2py3 s GLN 494 Cb 0.00 0.32 -0.03 0.00 -0.22 0.00 0.00 33.01 33.07 2py3 s GLN 494 CO 0.00 -0.09 0.02 0.08 -0.25 0.00 0.00 175.29 175.05 2py3 s VAL 495 N 0.46 4.47 0.11 1.09 1.01 -1.26 -1.77 120.40 124.51 2py3 s VAL 495 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2py3 s VAL 495 Cb -0.04 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2py3 s VAL 495 CO -0.01 0.54 -0.14 0.68 0.00 0.00 0.00 175.10 176.17 2py3 s VAL 496 N -0.31 1.28 0.71 2.92 -7.23 -0.44 0.75 120.40 118.08 2py3 s VAL 496 Ca 0.07 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 2py3 s VAL 496 Cb -0.12 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2py3 s VAL 496 CO 0.02 -0.40 1.07 -0.32 -0.31 0.00 0.00 175.10 175.16 2py3 s MET 497 N -2.55 2.84 0.16 4.82 1.75 0.66 -0.98 119.30 126.00 2py3 s MET 497 Ca 0.07 0.84 -0.24 0.00 -1.25 0.00 0.00 55.69 55.11 2py3 s MET 497 Cb -0.05 -1.99 0.06 0.00 2.84 0.00 0.00 34.83 35.69 2py3 s MET 497 CO 0.03 -1.14 0.77 0.00 -0.65 0.00 0.00 175.02 174.03 2py3 s ALA 498 N -3.10 -1.55 -0.18 4.11 0.00 -0.29 0.10 121.76 120.84 2py3 s ALA 498 Ca 0.58 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2py3 s ALA 498 Cb -0.14 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2py3 s ALA 498 CO 0.55 -0.89 -0.19 -1.21 0.00 0.00 0.00 175.76 174.01 2py3 s GLU 499 N -3.57 2.92 -0.23 0.00 0.41 -0.78 -0.10 118.70 117.35 2py3 s GLU 499 Ca 0.07 -0.84 -0.04 0.00 -0.41 0.00 0.00 54.97 53.76 2py3 s GLU 499 Cb -0.02 -2.56 -0.00 0.00 -1.78 0.00 0.00 34.13 29.77 2py3 s GLU 499 CO -0.03 -0.23 -0.03 0.00 -0.49 0.00 0.00 175.26 174.48 2py3 s ALA 500 N 1.29 2.83 -0.30 5.21 0.00 0.04 -1.35 121.76 129.48 2py3 s ALA 500 Ca 0.04 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.53 2py3 s ALA 500 Cb -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2py3 s ALA 500 CO -0.13 -0.54 0.78 0.08 0.00 0.00 0.00 175.76 175.96 2py3 s VAL 501 N 1.46 4.80 -0.16 0.00 1.01 -0.48 -0.51 120.40 126.52 2py3 s VAL 501 Ca 0.05 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2py3 s VAL 501 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2py3 s VAL 501 CO -0.03 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.44 2py3 n GLY 502 N 4.19 0.51 0.29 4.51 0.00 0.17 -4.90 105.19 109.96 2py3 n GLY 502 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.28 2py3 n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2py3 h ILE 503 N 0.00 1.14 -2.51 -0.61 6.09 -1.78 -3.27 117.51 116.56 2py3 h ILE 503 Ca -0.03 -0.43 -0.63 0.00 -1.37 0.00 0.00 64.86 62.39 2py3 h ILE 503 Cb 0.12 0.75 -0.15 0.00 0.47 0.00 0.00 36.82 38.01 2py3 h ILE 503 CO 0.05 0.17 0.68 -0.62 -3.07 0.00 0.00 178.15 175.35 2py3 s ASP 504 N -6.74 6.28 0.49 2.19 -1.08 -1.26 -4.91 116.67 111.64 2py3 s ASP 504 Ca -0.08 -1.20 0.21 0.00 -0.52 0.00 0.00 52.55 50.96 2py3 s ASP 504 Cb 0.17 -2.43 1.13 0.00 -1.46 0.00 0.00 42.92 40.32 2py3 s ASP 504 CO 0.74 -1.39 1.59 0.11 0.52 0.00 0.00 175.17 176.73 2py3 h LYS 505 N 9.46 0.00 -0.00 4.34 1.57 -1.98 0.19 116.57 130.14 2py3 h LYS 505 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2py3 h LYS 505 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2py3 h LYS 505 CO 1.19 0.00 -0.32 -0.25 -0.57 0.00 0.00 179.45 179.49 2py3 n ASP 506 N -2.45 0.46 -3.20 0.86 8.00 -1.26 -4.11 116.55 114.85 2py3 n ASP 506 Ca -0.01 -0.21 -0.23 0.00 0.71 0.00 0.00 54.79 55.04 2py3 n ASP 506 Cb 0.35 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 2py3 n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2py3 n LYS 507 N -1.33 1.55 -0.49 -1.24 4.76 0.66 -4.99 118.16 117.08 2py3 n LYS 507 Ca 0.08 -3.82 0.40 0.00 -2.87 0.00 0.00 58.31 52.10 2py3 n LYS 507 Cb 0.33 -1.72 0.70 0.00 -1.84 0.00 0.00 35.03 32.50 2py3 n LYS 507 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2py3 h PRO 508 N 3.59 0.07 -0.50 1.97 0.11 -1.71 -1.09 132.00 134.43 2py3 h PRO 508 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2py3 h PRO 508 Cb 0.80 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2py3 h PRO 508 CO 0.60 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 2py3 n LYS 509 N -4.42 2.82 -3.45 1.05 4.01 -1.26 -3.41 118.16 113.50 2py3 n LYS 509 Ca 0.37 -2.29 -0.38 0.00 -0.51 0.00 0.00 58.31 55.50 2py3 n LYS 509 Cb 1.53 -1.38 -0.06 0.00 -0.51 0.00 0.00 35.03 34.60 2py3 n LYS 509 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2py3 s GLU 510 N -1.00 4.06 -0.18 1.97 2.12 -0.41 -4.80 118.70 120.45 2py3 s GLU 510 Ca 0.33 0.41 -0.18 0.00 0.36 0.00 0.00 54.97 55.88 2py3 s GLU 510 Cb 0.17 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 2py3 s GLU 510 CO 0.22 0.53 0.51 0.00 -0.54 0.00 0.00 175.26 175.98 2py3 s ALA 511 N -0.55 3.53 -0.13 6.30 0.00 -1.26 -0.65 121.76 129.00 2py3 s ALA 511 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2py3 s ALA 511 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2py3 s ALA 511 CO 0.12 -0.36 -0.15 0.08 0.00 0.00 0.00 175.76 175.45 2py3 s VAL 512 N 1.45 2.79 -0.03 0.00 1.01 0.33 -4.89 120.40 121.07 2py3 s VAL 512 Ca 0.24 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2py3 s VAL 512 Cb -0.15 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2py3 s VAL 512 CO 0.10 0.53 1.40 -0.89 0.00 0.00 0.00 175.10 176.23 2py3 s THR 513 N 0.45 3.80 0.24 3.92 2.01 -1.26 -0.78 115.64 124.01 2py3 s THR 513 Ca -0.11 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.05 2py3 s THR 513 Cb -0.16 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2py3 s THR 513 CO 0.05 -0.02 0.10 1.33 -0.69 0.00 0.00 174.62 175.39 2py3 n VAL 514 N 4.82 0.00 -4.99 3.82 0.24 0.85 -4.24 118.33 118.84 2py3 n VAL 514 Ca 0.13 -1.43 -0.27 0.00 -2.04 0.00 0.00 64.34 60.74 2py3 n VAL 514 Cb 0.44 0.55 -0.16 0.00 -1.47 0.00 0.00 33.84 33.21 2py3 n VAL 514 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2py3 s ALA 515 N -2.69 1.69 -0.07 2.33 0.00 -0.44 -1.14 121.76 121.44 2py3 s ALA 515 Ca 0.15 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2py3 s ALA 515 Cb 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2py3 s ALA 515 CO 0.10 0.40 -0.13 0.08 0.00 0.00 0.00 175.76 176.22 2py3 s VAL 516 N -0.41 1.18 -0.14 0.00 1.01 -0.15 -0.66 120.40 121.23 2py3 s VAL 516 Ca 0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2py3 s VAL 516 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2py3 s VAL 516 CO -0.00 0.37 0.04 -0.75 0.00 0.00 0.00 175.10 174.75 2py3 s LYS 517 N 0.67 3.56 0.24 2.72 2.20 0.05 -1.33 119.74 127.86 2py3 s LYS 517 Ca -0.14 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 2py3 s LYS 517 Cb -0.16 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2py3 s LYS 517 CO 0.04 0.46 0.38 0.00 -0.36 0.00 0.00 175.35 175.87 2py3 s MET 518 N -0.19 1.48 0.44 4.03 0.23 -0.73 -1.55 119.30 123.02 2py3 s MET 518 Ca 0.06 -1.41 -0.22 0.00 -1.03 0.00 0.00 55.69 53.09 2py3 s MET 518 Cb -0.12 0.41 -0.09 0.00 -1.53 0.00 0.00 34.83 33.50 2py3 s MET 518 CO 0.02 -0.58 1.05 -0.51 -2.03 0.00 0.00 175.02 172.96 2py3 s LEU 519 N -3.08 3.99 0.62 0.18 1.43 -1.26 -0.18 118.68 120.37 2py3 s LEU 519 Ca 0.28 2.01 -0.10 0.00 -1.03 0.00 0.00 54.13 55.28 2py3 s LEU 519 Cb 0.02 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 2py3 s LEU 519 CO 0.11 -0.66 1.01 -0.54 0.23 0.00 0.00 176.35 176.51 2py3 s LYS 520 N -2.85 3.48 0.41 1.70 1.02 -1.26 -4.78 119.74 117.47 2py3 s LYS 520 Ca 0.63 0.65 0.10 0.00 0.02 0.00 0.00 55.97 57.36 2py3 s LYS 520 Cb -0.20 -2.10 0.91 0.00 -0.52 0.00 0.00 37.83 35.92 2py3 s LYS 520 CO 0.24 -0.60 2.01 0.22 -0.92 0.00 0.00 175.35 176.30 2py3 h ASP 521 N -0.31 0.46 -0.60 2.83 -0.00 -2.00 -1.79 116.42 115.01 2py3 h ASP 521 Ca -0.44 -0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.41 2py3 h ASP 521 Cb 1.20 -0.10 -0.10 0.00 -0.00 0.00 0.00 39.33 40.33 2py3 h ASP 521 CO 0.62 0.31 0.22 -0.90 -0.00 0.00 0.00 179.24 179.49 2py3 n ASP 522 N -4.47 4.29 -4.71 2.28 3.85 -1.26 -5.00 116.55 111.53 2py3 n ASP 522 Ca 0.07 -2.97 -0.35 0.00 -0.71 0.00 0.00 54.79 50.82 2py3 n ASP 522 Cb 0.22 -0.70 0.10 0.00 -1.35 0.00 0.00 41.12 39.38 2py3 n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2py3 n ALA 523 N -0.06 0.56 -2.24 2.12 0.00 -0.68 -5.05 120.51 115.17 2py3 n ALA 523 Ca 0.33 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 2py3 n ALA 523 Cb 1.19 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 2py3 n ALA 523 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2py3 s THR 524 N -1.76 2.21 0.13 0.00 -4.23 -1.26 -4.99 115.64 105.74 2py3 s THR 524 Ca 0.78 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.81 2py3 s THR 524 Cb -0.33 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 2py3 s THR 524 CO 0.45 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.17 2py3 h GLU 525 N 0.74 0.52 -0.22 3.99 4.81 -2.00 -2.09 114.58 120.34 2py3 h GLU 525 Ca -0.37 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2py3 h GLU 525 Cb 1.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2py3 h GLU 525 CO 0.53 0.46 0.12 -0.22 -0.73 0.00 0.00 179.01 179.17 2py3 h LYS 526 N 0.45 0.29 -0.32 1.92 1.63 -1.99 -0.77 116.57 117.78 2py3 h LYS 526 Ca 0.13 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 2py3 h LYS 526 Cb 0.10 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2py3 h LYS 526 CO -0.02 0.22 -0.09 -0.44 -3.45 0.00 0.00 179.45 175.67 2py3 h ASP 527 N 0.30 0.52 -0.07 4.20 3.32 -1.74 -0.90 116.42 122.05 2py3 h ASP 527 Ca 0.08 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 2py3 h ASP 527 Cb 0.01 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2py3 h ASP 527 CO -0.01 0.65 -0.22 0.25 -1.72 0.00 0.00 179.24 178.18 2py3 h LEU 528 N 0.50 0.31 -1.32 1.55 5.85 -0.83 -2.46 115.31 118.91 2py3 h LEU 528 Ca 0.10 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 2py3 h LEU 528 Cb 0.46 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2py3 h LEU 528 CO 0.02 0.88 -0.08 0.77 -0.34 0.00 0.00 178.44 179.69 2py3 h SER 529 N -0.23 0.33 -0.21 1.25 4.64 -1.21 -0.81 113.55 117.31 2py3 h SER 529 Ca -0.01 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2py3 h SER 529 Cb 0.85 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2py3 h SER 529 CO 0.05 0.46 0.04 0.44 -0.87 0.00 0.00 176.83 176.95 2py3 h ASP 530 N 0.34 0.34 -0.78 4.97 3.32 -1.17 0.14 116.42 123.58 2py3 h ASP 530 Ca 0.07 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2py3 h ASP 530 Cb 0.37 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2py3 h ASP 530 CO 0.02 0.50 0.40 0.25 -1.72 0.00 0.00 179.24 178.70 2py3 h LEU 531 N 0.16 0.99 -0.17 1.55 5.85 -1.01 0.34 115.31 123.01 2py3 h LEU 531 Ca 0.07 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2py3 h LEU 531 Cb 0.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2py3 h LEU 531 CO 0.00 0.82 0.09 0.58 -0.34 0.00 0.00 178.44 179.60 2py3 h VAL 532 N 1.09 1.11 -1.00 1.05 2.07 -0.98 -1.37 116.25 118.21 2py3 h VAL 532 Ca 0.27 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2py3 h VAL 532 Cb 0.07 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2py3 h VAL 532 CO -0.04 0.10 0.66 -1.28 0.02 0.00 0.00 177.57 177.04 2py3 h SER 533 N 0.17 1.15 -0.16 0.57 0.87 -0.18 -0.36 113.55 115.61 2py3 h SER 533 Ca 0.06 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2py3 h SER 533 Cb 0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2py3 h SER 533 CO -0.01 0.82 0.05 -0.08 -0.53 0.00 0.00 176.83 177.08 2py3 h GLU 534 N 1.35 0.12 0.18 2.24 4.81 0.06 0.93 114.58 124.28 2py3 h GLU 534 Ca 0.37 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2py3 h GLU 534 Cb -0.14 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2py3 h GLU 534 CO -0.09 0.08 -0.10 1.98 -0.73 0.00 0.00 179.01 180.16 2py3 h MET 535 N 0.13 -0.25 -0.41 1.92 4.05 -0.67 -1.84 114.93 117.85 2py3 h MET 535 Ca 0.07 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2py3 h MET 535 Cb 0.04 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2py3 h MET 535 CO -0.07 -0.17 0.22 0.93 0.23 0.00 0.00 176.91 178.05 2py3 h GLU 536 N -0.26 0.56 -0.31 0.39 4.39 -0.85 -1.77 114.58 116.73 2py3 h GLU 536 Ca -0.02 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2py3 h GLU 536 Cb 0.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2py3 h GLU 536 CO 0.03 0.42 -0.40 1.98 -1.16 0.00 0.00 179.01 179.88 2py3 h MET 537 N 0.57 0.75 -0.19 2.33 4.05 -0.56 -2.34 114.93 119.53 2py3 h MET 537 Ca 0.15 -0.39 -0.12 0.00 -0.28 0.00 0.00 59.70 59.06 2py3 h MET 537 Cb 0.03 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2py3 h MET 537 CO -0.02 1.01 -0.40 0.52 0.23 0.00 0.00 176.91 178.25 2py3 h MET 538 N 0.61 0.44 -0.27 0.39 2.86 -0.70 -1.23 114.93 117.04 2py3 h MET 538 Ca 0.05 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2py3 h MET 538 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2py3 h MET 538 CO 0.09 0.77 0.07 0.87 1.06 0.00 0.00 176.91 179.77 2py3 h LYS 539 N 0.37 0.43 -0.20 1.72 1.57 -1.20 -3.21 116.57 116.04 2py3 h LYS 539 Ca 0.03 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2py3 h LYS 539 Cb 0.87 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2py3 h LYS 539 CO 0.07 0.51 0.10 1.98 -0.57 0.00 0.00 179.45 181.54 2py3 h MET 540 N 0.27 0.28 -0.92 3.15 4.05 -1.26 -3.25 114.93 117.25 2py3 h MET 540 Ca 0.09 -0.04 0.18 0.00 -0.28 0.00 0.00 59.70 59.64 2py3 h MET 540 Cb 0.27 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.94 2py3 h MET 540 CO -0.00 0.29 0.59 0.82 0.23 0.00 0.00 176.91 178.84 2py3 h ILE 541 N 0.20 0.75 0.00 1.77 2.04 -1.23 -3.49 117.51 117.55 2py3 h ILE 541 Ca 0.07 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2py3 h ILE 541 Cb 0.10 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2py3 h ILE 541 CO -0.01 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.86 2py3 n GLY 542 N -1.44 -3.00 3.89 5.37 0.00 -1.23 -4.95 105.19 103.83 2py3 n GLY 542 Ca 0.19 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 2py3 n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 s LYS 543 N -0.87 3.63 -0.26 1.61 -0.14 -1.26 -5.00 119.74 117.46 2py3 s LYS 543 Ca 0.00 -0.04 -0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2py3 s LYS 543 Cb 0.00 -2.95 0.08 0.00 -1.68 0.00 0.00 37.83 33.29 2py3 s LYS 543 CO 0.00 0.54 0.79 -1.58 -0.76 0.00 0.00 175.35 174.34 2py3 s HIS 544 N -1.51 -0.71 0.60 3.18 5.04 -1.26 -5.05 115.29 115.58 2py3 s HIS 544 Ca 0.36 1.71 0.30 0.00 -1.54 0.00 0.00 55.06 55.89 2py3 s HIS 544 Cb -0.13 0.30 1.73 0.00 0.04 0.00 0.00 32.58 34.52 2py3 s HIS 544 CO 0.21 -0.36 2.11 1.57 -2.34 0.00 0.00 174.74 175.93 2py3 h LYS 545 N 4.71 0.00 -0.55 2.88 5.09 -1.98 -2.43 116.57 124.28 2py3 h LYS 545 Ca -0.29 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.15 2py3 h LYS 545 Cb 1.16 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 33.31 2py3 h LYS 545 CO 0.08 0.00 0.07 0.09 -2.09 0.00 0.00 179.45 177.60 2py3 n ASN 546 N -3.64 3.23 -3.77 7.07 4.13 -1.26 -4.81 115.26 116.21 2py3 n ASN 546 Ca 0.01 -3.76 -0.19 0.00 1.68 0.00 0.00 54.58 52.32 2py3 n ASN 546 Cb 0.31 -0.68 -0.17 0.00 -1.54 0.00 0.00 39.78 37.70 2py3 n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2py3 s ILE 547 N -3.47 0.12 0.22 2.41 1.01 -0.92 -1.75 121.20 118.83 2py3 s ILE 547 Ca 0.49 0.19 -0.32 0.00 0.00 0.00 0.00 60.65 61.01 2py3 s ILE 547 Cb 0.43 -0.27 -0.14 0.00 0.01 0.00 0.00 42.46 42.48 2py3 s ILE 547 CO 0.02 0.17 1.30 0.00 0.00 0.00 0.00 174.94 176.43 2py3 n ILE 548 N 4.61 1.00 -3.90 2.92 0.13 -0.73 -4.63 119.36 118.76 2py3 n ILE 548 Ca -0.17 -0.25 -0.35 0.00 -1.10 0.00 0.00 62.75 60.88 2py3 n ILE 548 Cb 0.50 -1.23 -0.05 0.00 -0.84 0.00 0.00 39.64 38.02 2py3 n ILE 548 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2py3 s ASN 549 N 0.14 6.38 0.01 9.51 4.22 -1.26 -4.96 114.94 128.97 2py3 s ASN 549 Ca 0.69 0.39 -0.29 0.00 -2.14 0.00 0.00 52.86 51.52 2py3 s ASN 549 Cb -0.72 -2.03 -0.04 0.00 1.28 0.00 0.00 41.25 39.75 2py3 s ASN 549 CO 0.51 0.32 0.93 -0.22 -2.04 0.00 0.00 177.10 176.60 2py3 s LEU 550 N -1.60 4.38 -0.16 3.54 2.96 -1.26 -1.57 118.68 124.97 2py3 s LEU 550 Ca 0.23 1.60 0.09 0.00 -0.22 0.00 0.00 54.13 55.83 2py3 s LEU 550 Cb -0.12 -3.49 -0.16 0.00 0.50 0.00 0.00 46.19 42.92 2py3 s LEU 550 CO 0.13 -0.20 -0.01 0.18 -1.32 0.00 0.00 176.35 175.13 2py3 n LEU 551 N 3.69 0.90 0.00 -0.68 4.77 0.99 -4.94 117.00 121.72 2py3 n LEU 551 Ca 0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2py3 n LEU 551 Cb 0.51 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2py3 n LEU 551 CO 0.51 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2py3 n GLY 552 N 2.26 -1.53 3.54 -0.72 0.00 -1.05 -5.03 105.19 102.67 2py3 n GLY 552 Ca -0.26 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 2py3 n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2py3 s ALA 553 N -1.92 -1.61 -0.51 4.61 0.00 -0.59 -0.65 121.76 121.09 2py3 s ALA 553 Ca 0.00 1.95 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 2py3 s ALA 553 Cb 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 23.12 22.07 2py3 s ALA 553 CO 0.00 -0.32 0.51 0.00 0.00 0.00 0.00 175.76 175.95 2py3 n THR 555 N 5.35 0.00 -4.18 0.00 -2.24 -1.26 -1.56 114.28 110.38 2py3 n THR 555 Ca -0.11 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 2py3 n THR 555 Cb 0.43 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 2py3 n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2py3 s GLN 556 N -1.59 2.77 -0.89 -0.78 -1.52 -1.26 -4.75 119.66 111.64 2py3 s GLN 556 Ca 0.02 -0.67 -0.15 0.00 -1.95 0.00 0.00 55.36 52.62 2py3 s GLN 556 Cb 0.05 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 30.19 2py3 s GLN 556 CO 0.26 0.60 0.56 -0.25 -0.25 0.00 0.00 175.29 176.20 2py3 n ASP 557 N 1.00 -3.92 0.00 5.90 8.00 -1.26 -4.85 116.55 121.41 2py3 n ASP 557 Ca -0.12 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2py3 n ASP 557 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2py3 n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2py3 n GLY 558 N -1.73 0.23 3.75 0.44 0.00 -1.26 -5.13 105.19 101.49 2py3 n GLY 558 Ca -0.20 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 2py3 n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2py3 s PRO 559 N -1.81 2.95 0.05 1.61 0.04 -1.26 -4.90 135.00 131.68 2py3 s PRO 559 Ca 0.00 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 2py3 s PRO 559 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2py3 s PRO 559 CO 0.00 -1.23 1.34 -1.17 0.04 0.00 0.00 177.00 175.97 2py3 s LEU 560 N -4.06 4.35 -0.15 -3.56 2.96 -1.26 -4.71 118.68 112.24 2py3 s LEU 560 Ca 0.78 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 2py3 s LEU 560 Cb -0.31 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.83 2py3 s LEU 560 CO 0.34 -0.63 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.30 2py3 s TYR 561 N 1.59 2.13 -0.32 5.38 2.02 -0.60 -4.44 117.35 123.11 2py3 s TYR 561 Ca 0.62 -1.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.01 2py3 s TYR 561 Cb -0.32 -1.57 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2py3 s TYR 561 CO 0.28 -0.67 0.16 0.08 -1.57 0.00 0.00 175.55 173.84 2py3 s VAL 562 N 1.50 4.63 -0.29 0.71 1.01 -0.59 -1.44 120.40 125.92 2py3 s VAL 562 Ca 0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2py3 s VAL 562 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2py3 s VAL 562 CO -0.10 0.04 0.22 -0.63 0.00 0.00 0.00 175.10 174.62 2py3 s ILE 563 N 1.61 5.29 0.30 2.22 1.01 0.18 -0.77 121.20 131.05 2py3 s ILE 563 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.89 2py3 s ILE 563 Cb -0.17 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 2py3 s ILE 563 CO 0.06 0.19 0.00 0.68 0.00 0.00 0.00 174.94 175.88 2py3 s VAL 564 N 1.79 1.41 0.47 2.92 -7.23 0.17 -0.01 120.40 119.91 2py3 s VAL 564 Ca 0.08 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 2py3 s VAL 564 Cb -0.16 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 2py3 s VAL 564 CO 0.11 -0.15 1.39 -0.83 -0.31 0.00 0.00 175.10 175.31 2py3 s GLY 565 N -3.47 2.91 0.06 2.32 0.00 -0.61 -1.32 107.32 107.21 2py3 s GLY 565 Ca 0.33 1.39 -0.26 0.00 0.00 0.00 0.00 44.72 46.18 2py3 s GLY 565 CO 0.14 1.98 0.81 -0.47 0.00 0.00 0.00 173.10 175.56 2py3 s TYR 566 N -1.24 3.75 -0.38 1.90 5.04 -1.26 -4.51 117.35 120.65 2py3 s TYR 566 Ca 0.63 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.80 2py3 s TYR 566 Cb -0.42 -2.88 0.10 0.00 0.35 0.00 0.00 41.96 39.11 2py3 s TYR 566 CO 0.53 0.25 0.14 0.00 -1.34 0.00 0.00 175.55 175.13 2py3 s ALA 567 N -0.01 3.05 0.65 3.97 0.00 -1.26 -4.85 121.76 123.31 2py3 s ALA 567 Ca 0.41 -2.43 0.40 0.00 0.00 0.00 0.00 51.96 50.33 2py3 s ALA 567 Cb -0.21 -2.25 2.20 0.00 0.00 0.00 0.00 23.12 22.86 2py3 s ALA 567 CO 0.25 -1.71 2.30 0.66 0.00 0.00 0.00 175.76 177.26 2py3 h SER 568 N 7.95 0.00 -0.26 0.00 4.64 -1.84 -2.77 113.55 121.26 2py3 h SER 568 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2py3 h SER 568 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2py3 h SER 568 CO 0.64 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 2py3 n LYS 569 N -3.27 2.14 0.00 4.77 4.76 0.13 -4.93 118.16 121.77 2py3 n LYS 569 Ca -0.03 -1.72 0.00 0.00 -2.87 0.00 0.00 58.31 53.69 2py3 n LYS 569 Cb 0.11 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2py3 n LYS 569 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2py3 n GLY 570 N 1.33 -1.19 3.88 0.72 0.00 -1.05 -4.55 105.19 104.33 2py3 n GLY 570 Ca 0.18 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2py3 n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 s ASN 571 N -4.00 6.42 0.22 1.61 2.20 -1.26 -0.45 114.94 119.68 2py3 s ASN 571 Ca 0.00 1.13 -0.07 0.00 -0.94 0.00 0.00 52.86 52.98 2py3 s ASN 571 Cb 0.00 -2.33 0.34 0.00 -2.00 0.00 0.00 41.25 37.26 2py3 s ASN 571 CO 0.00 -0.52 1.76 0.25 -2.94 0.00 0.00 177.10 175.65 2py3 h LEU 572 N 0.75 0.37 -0.38 3.54 5.85 0.79 -1.52 115.31 124.71 2py3 h LEU 572 Ca -0.47 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2py3 h LEU 572 Cb 1.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2py3 h LEU 572 CO 0.63 0.21 0.18 -0.09 -0.34 0.00 0.00 178.44 179.02 2py3 h ARG 573 N 0.53 0.35 -0.44 1.25 2.43 -1.81 -0.12 114.38 116.56 2py3 h ARG 573 Ca 0.35 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.43 2py3 h ARG 573 Cb 0.41 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2py3 h ARG 573 CO -0.30 0.23 0.01 0.93 -1.51 0.00 0.00 179.97 179.33 2py3 h GLU 574 N 0.36 0.77 -0.58 0.20 5.08 -1.83 -2.07 114.58 116.52 2py3 h GLU 574 Ca 0.17 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2py3 h GLU 574 Cb 0.09 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2py3 h GLU 574 CO -0.13 0.84 0.25 -0.92 -1.00 0.00 0.00 179.01 178.05 2py3 h TYR 575 N 0.62 0.46 -0.07 4.33 3.20 -0.83 -2.24 116.97 122.44 2py3 h TYR 575 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2py3 h TYR 575 Cb 0.48 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2py3 h TYR 575 CO 0.04 0.17 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.55 2py3 h LEU 576 N 0.47 0.22 -2.37 2.82 3.38 -0.91 -2.85 115.31 116.07 2py3 h LEU 576 Ca 0.27 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2py3 h LEU 576 Cb 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2py3 h LEU 576 CO -0.24 0.71 0.05 0.03 0.09 0.00 0.00 178.44 179.09 2py3 h ARG 577 N -0.27 0.00 0.00 1.13 3.08 -1.25 -0.01 114.38 117.07 2py3 h ARG 577 Ca 0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 2py3 h ARG 577 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 2py3 h ARG 577 CO 0.03 0.00 -0.96 0.00 -1.07 0.00 0.00 179.97 177.96 2py3 h ALA 578 N 1.94 0.41 -0.33 0.04 0.00 -1.35 -3.22 119.26 116.76 2py3 h ALA 578 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2py3 h ALA 578 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2py3 h ALA 578 CO -0.00 1.19 0.00 0.54 0.00 0.00 0.00 179.25 180.98 2py3 n ARG 579 N -3.40 2.40 -2.39 0.00 5.12 -0.04 -4.42 116.66 113.92 2py3 n ARG 579 Ca -0.00 -1.44 -0.39 0.00 -1.93 0.00 0.00 57.85 54.08 2py3 n ARG 579 Cb 0.91 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.59 2py3 n ARG 579 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2py3 s ARG 580 N -1.69 4.38 0.00 5.56 0.52 -1.07 -3.66 118.95 122.98 2py3 s ARG 580 Ca 0.26 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 2py3 s ARG 580 Cb 0.17 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.70 2py3 s ARG 580 CO 0.12 -0.03 0.09 -2.30 0.02 0.00 0.00 175.30 173.20 2py3 n PRO 581 N 0.66 0.00 -1.29 3.54 -0.02 -1.26 -4.93 135.00 131.69 2py3 n PRO 581 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 2py3 n PRO 581 Cb 0.46 -0.95 0.12 0.00 -0.02 0.00 0.00 33.50 33.10 2py3 n PRO 581 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2py3 n GLU 595 N 2.56 2.52 -3.49 -0.52 4.07 -1.26 -5.17 120.64 119.35 2py3 n GLU 595 Ca 0.00 -3.19 -0.42 0.00 -0.06 0.00 0.00 57.16 53.49 2py3 n GLU 595 Cb 0.04 -2.25 -0.08 0.00 -0.06 0.00 0.00 31.44 29.09 2py3 n GLU 595 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2py3 s GLU 596 N -3.63 2.72 0.07 5.31 -6.30 -1.26 -4.91 118.70 110.71 2py3 s GLU 596 Ca 0.62 -1.56 -0.13 0.00 -2.50 0.00 0.00 54.97 51.40 2py3 s GLU 596 Cb 0.50 -3.99 -0.07 0.00 0.00 0.00 0.00 34.13 30.56 2py3 s GLU 596 CO 0.04 -1.10 0.26 0.94 0.02 0.00 0.00 175.26 175.41 2py3 n GLN 597 N 5.04 0.00 -3.08 4.30 -0.06 -1.26 -4.89 117.38 117.43 2py3 n GLN 597 Ca -0.11 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.50 2py3 n GLN 597 Cb 0.42 -0.46 -0.06 0.00 -4.06 0.00 0.00 30.24 26.09 2py3 n GLN 597 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2py3 s MET 598 N -0.34 4.42 0.29 3.69 -1.94 -1.24 -5.07 119.30 119.11 2py3 s MET 598 Ca 0.29 0.95 0.02 0.00 -1.71 0.00 0.00 55.69 55.24 2py3 s MET 598 Cb -0.41 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 2py3 s MET 598 CO 0.23 0.42 0.47 0.95 -0.01 0.00 0.00 175.02 177.08 2py3 s THR 599 N -0.48 5.17 0.24 2.05 -4.23 -1.26 -4.96 115.64 112.16 2py3 s THR 599 Ca 0.35 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 2py3 s THR 599 Cb -0.20 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.00 2py3 s THR 599 CO 0.22 -0.44 1.72 0.15 -0.54 0.00 0.00 174.62 175.73 2py3 h PHE 600 N 1.04 0.46 -0.47 3.99 3.57 -1.98 0.91 116.94 124.47 2py3 h PHE 600 Ca -0.50 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 2py3 h PHE 600 Cb 1.22 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2py3 h PHE 600 CO 0.50 0.05 0.18 -0.22 -2.23 0.00 0.00 178.31 176.59 2py3 h LYS 601 N 0.41 0.66 -0.04 1.11 3.64 -1.94 -1.54 116.57 118.88 2py3 h LYS 601 Ca 0.40 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2py3 h LYS 601 Cb 0.60 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2py3 h LYS 601 CO -0.40 0.55 0.02 -0.44 -2.27 0.00 0.00 179.45 176.90 2py3 h ASP 602 N 0.66 0.06 -0.72 4.20 3.32 -1.24 0.66 116.42 123.37 2py3 h ASP 602 Ca 0.16 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.11 2py3 h ASP 602 Cb 0.14 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 2py3 h ASP 602 CO -0.02 0.21 0.40 -0.07 -1.72 0.00 0.00 179.24 178.05 2py3 h LEU 603 N -0.10 0.59 -0.28 1.55 3.38 -0.87 0.40 115.31 119.98 2py3 h LEU 603 Ca 0.01 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2py3 h LEU 603 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2py3 h LEU 603 CO -0.00 0.37 -0.05 0.58 0.09 0.00 0.00 178.44 179.43 2py3 h VAL 604 N 0.72 1.27 -0.55 1.22 2.07 -1.11 -1.46 116.25 118.41 2py3 h VAL 604 Ca 0.33 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2py3 h VAL 604 Cb 0.24 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2py3 h VAL 604 CO -0.21 0.33 0.26 -1.28 0.02 0.00 0.00 177.57 176.70 2py3 h SER 605 N 0.29 0.35 -0.29 0.57 0.87 -0.12 0.29 113.55 115.52 2py3 h SER 605 Ca 0.07 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2py3 h SER 605 Cb 0.51 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2py3 h SER 605 CO 0.02 0.24 0.11 0.00 -0.53 0.00 0.00 176.83 176.67 2py3 h THR 607 N 0.24 1.17 -0.74 0.00 2.02 -0.30 -2.59 112.91 112.70 2py3 h THR 607 Ca 0.13 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.87 2py3 h THR 607 Cb 0.09 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2py3 h THR 607 CO -0.12 0.19 0.46 0.22 0.37 0.00 0.00 175.52 176.63 2py3 h TYR 608 N 0.56 0.86 -0.67 3.16 3.20 -0.12 -1.26 116.97 122.69 2py3 h TYR 608 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2py3 h TYR 608 Cb 0.10 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2py3 h TYR 608 CO -0.01 0.48 0.20 1.96 -1.64 0.00 0.00 178.16 179.15 2py3 h GLN 609 N 0.89 1.05 -0.53 1.82 4.20 -1.04 -1.52 115.11 119.98 2py3 h GLN 609 Ca 0.31 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2py3 h GLN 609 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2py3 h GLN 609 CO -0.13 0.92 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.80 2py3 h LEU 610 N 0.99 0.96 -0.55 1.46 3.38 -1.08 -1.35 115.31 119.12 2py3 h LEU 610 Ca 0.22 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2py3 h LEU 610 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2py3 h LEU 610 CO -0.01 1.06 0.33 0.00 0.09 0.00 0.00 178.44 179.92 2py3 h ALA 611 N 1.02 0.70 -0.89 1.53 0.00 -0.97 0.16 119.26 120.81 2py3 h ALA 611 Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2py3 h ALA 611 Cb 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2py3 h ALA 611 CO 0.04 0.18 0.58 0.00 0.00 0.00 0.00 179.25 180.05 2py3 h ARG 612 N 0.74 1.08 -0.48 0.00 2.47 -0.91 0.38 114.38 117.66 2py3 h ARG 612 Ca 0.20 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.76 2py3 h ARG 612 Cb -0.02 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.04 2py3 h ARG 612 CO -0.04 0.72 -0.05 0.78 0.56 0.00 0.00 179.97 181.94 2py3 h GLY 613 N 1.12 0.95 1.59 0.04 0.00 -0.65 -2.16 103.07 103.96 2py3 h GLY 613 Ca 0.36 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 2py3 h GLY 613 CO -0.12 0.67 -0.45 -0.33 0.00 0.00 0.00 176.54 176.31 2py3 h MET 614 N 0.73 0.45 -0.39 4.80 2.86 -0.38 -0.44 114.93 122.56 2py3 h MET 614 Ca 0.13 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2py3 h MET 614 Cb 0.57 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2py3 h MET 614 CO 0.03 0.81 0.25 1.49 1.06 0.00 0.00 176.91 180.55 2py3 h GLU 615 N 0.36 0.52 -0.47 1.72 4.81 -0.11 0.18 114.58 121.58 2py3 h GLU 615 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2py3 h GLU 615 Cb 0.93 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2py3 h GLU 615 CO 0.08 0.36 0.11 -0.92 -0.73 0.00 0.00 179.01 177.92 2py3 h TYR 616 N 0.52 0.80 -0.36 0.92 5.03 -1.18 -1.35 116.97 121.34 2py3 h TYR 616 Ca 0.14 -0.10 0.02 0.00 2.58 0.00 0.00 58.73 61.37 2py3 h TYR 616 Cb -0.03 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 2py3 h TYR 616 CO -0.04 0.72 0.20 1.25 -1.32 0.00 0.00 178.16 178.97 2py3 h LEU 617 N 0.64 0.31 -1.19 2.82 5.85 -0.69 -1.62 115.31 121.44 2py3 h LEU 617 Ca 0.15 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2py3 h LEU 617 Cb 0.33 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2py3 h LEU 617 CO 0.00 0.23 0.20 0.00 -0.34 0.00 0.00 178.44 178.53 2py3 h ALA 618 N 1.17 1.36 0.00 1.25 0.00 -0.47 -1.18 119.26 121.39 2py3 h ALA 618 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2py3 h ALA 618 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2py3 h ALA 618 CO -0.08 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.31 2py3 h SER 619 N 0.75 0.00 -0.54 0.00 4.64 -0.34 -0.83 113.55 117.23 2py3 h SER 619 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2py3 h SER 619 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2py3 h SER 619 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2py3 n GLN 620 N -2.85 2.32 -2.03 4.77 1.13 -0.50 -4.91 117.38 115.32 2py3 n GLN 620 Ca 0.01 -1.96 -0.16 0.00 -1.94 0.00 0.00 57.00 52.95 2py3 n GLN 620 Cb 0.26 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 2py3 n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2py3 n LYS 621 N 1.06 -1.20 -4.25 -1.09 5.02 -0.32 -4.96 118.16 112.43 2py3 n LYS 621 Ca 0.18 0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 56.98 2py3 n LYS 621 Cb 0.48 -5.16 -0.11 0.00 -0.02 0.00 0.00 35.03 30.22 2py3 n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2py3 s ILE 623 N 0.33 4.14 -0.02 0.00 -4.36 -0.33 -4.04 121.20 116.93 2py3 s ILE 623 Ca -0.01 -0.24 -0.26 0.00 -0.26 0.00 0.00 60.65 59.89 2py3 s ILE 623 Cb -0.13 -2.91 -0.20 0.00 1.25 0.00 0.00 42.46 40.47 2py3 s ILE 623 CO 0.02 0.38 1.28 -0.74 0.24 0.00 0.00 174.94 176.12 2py3 h HIS 624 N 7.94 -0.02 0.00 1.37 -0.00 -1.92 -1.31 115.15 121.21 2py3 h HIS 624 Ca -0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2py3 h HIS 624 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2py3 h HIS 624 CO 0.63 0.43 0.00 0.54 -0.00 0.00 0.00 177.93 179.54 2py3 n ARG 625 N -4.88 0.00 -2.77 5.26 1.74 -1.26 -2.67 116.66 112.08 2py3 n ARG 625 Ca -0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 2py3 n ARG 625 Cb 0.24 -2.50 0.04 0.00 -1.02 0.00 0.00 32.46 29.22 2py3 n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2py3 n ASP 626 N 0.00 1.64 -4.71 0.55 4.64 -1.26 -4.81 116.55 112.60 2py3 n ASP 626 Ca 0.00 -2.27 -0.42 0.00 -1.38 0.00 0.00 54.79 50.72 2py3 n ASP 626 Cb 0.00 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.56 2py3 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2py3 s LEU 627 N -3.61 4.36 -0.20 -2.67 2.96 -1.26 -4.81 118.68 113.44 2py3 s LEU 627 Ca 0.28 1.96 -0.33 0.00 -0.22 0.00 0.00 54.13 55.82 2py3 s LEU 627 Cb 0.36 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.62 2py3 s LEU 627 CO -0.02 -0.46 1.21 0.00 -1.32 0.00 0.00 176.35 175.76 2py3 s ALA 628 N 1.15 -2.06 0.32 5.97 0.00 -1.26 -4.82 121.76 121.06 2py3 s ALA 628 Ca 0.58 1.65 0.07 0.00 0.00 0.00 0.00 51.96 54.25 2py3 s ALA 628 Cb -0.28 -0.45 0.74 0.00 0.00 0.00 0.00 23.12 23.13 2py3 s ALA 628 CO 0.28 -0.49 1.83 0.00 0.00 0.00 0.00 175.76 177.38 2py3 h ALA 629 N 2.08 1.73 0.00 0.00 0.00 -1.94 0.31 119.26 121.43 2py3 h ALA 629 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2py3 h ALA 629 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2py3 h ALA 629 CO 0.24 -0.02 0.00 2.89 0.00 0.00 0.00 179.25 182.36 2py3 n ARG 630 N -4.64 0.10 -0.52 0.00 1.85 -1.26 -1.58 116.66 110.60 2py3 n ARG 630 Ca 0.20 0.45 0.07 0.00 -1.00 0.00 0.00 57.85 57.57 2py3 n ARG 630 Cb 0.49 -1.73 0.26 0.00 -1.05 0.00 0.00 32.46 30.43 2py3 n ARG 630 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2py3 n ASN 631 N -1.92 3.85 -4.28 2.89 5.03 0.11 -4.82 115.26 116.10 2py3 n ASN 631 Ca 0.01 -3.11 -0.32 0.00 0.87 0.00 0.00 54.58 52.04 2py3 n ASN 631 Cb 0.12 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.15 2py3 n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2py3 s VAL 632 N -2.88 2.26 0.09 2.41 1.01 -0.62 -0.13 120.40 122.55 2py3 s VAL 632 Ca 0.44 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2py3 s VAL 632 Cb 0.36 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2py3 s VAL 632 CO 0.08 0.56 -0.03 -0.76 0.00 0.00 0.00 175.10 174.96 2py3 s LEU 633 N -0.00 3.34 -0.18 3.92 1.43 0.76 0.95 118.68 128.89 2py3 s LEU 633 Ca -0.08 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2py3 s LEU 633 Cb -0.15 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2py3 s LEU 633 CO 0.05 0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 175.94 2py3 s VAL 634 N -1.27 2.23 1.00 -1.59 1.01 0.41 -0.45 120.40 121.73 2py3 s VAL 634 Ca 0.24 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 2py3 s VAL 634 Cb -0.11 -1.95 0.20 0.00 0.00 0.00 0.00 36.38 34.52 2py3 s VAL 634 CO 0.17 0.52 1.24 0.42 0.00 0.00 0.00 175.10 177.46 2py3 s THR 635 N 1.31 1.91 0.38 3.92 -4.23 -0.94 -0.69 115.64 117.29 2py3 s THR 635 Ca 0.05 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.67 2py3 s THR 635 Cb -0.13 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.18 2py3 s THR 635 CO -0.12 0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 175.78 2py3 h GLU 636 N -1.80 0.60 -0.72 3.99 4.57 -1.91 -0.42 114.58 118.88 2py3 h GLU 636 Ca -0.45 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2py3 h GLU 636 Cb 1.26 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2py3 h GLU 636 CO 0.42 0.40 0.02 0.09 -1.18 0.00 0.00 179.01 178.75 2py3 n ASN 637 N -4.52 4.29 -3.33 1.04 3.02 -1.26 -4.91 115.26 109.59 2py3 n ASN 637 Ca 0.15 -2.67 -0.22 0.00 -0.03 0.00 0.00 54.58 51.82 2py3 n ASN 637 Cb 0.45 -0.64 0.07 0.00 -0.61 0.00 0.00 39.78 39.06 2py3 n ASN 637 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2py3 n ASN 638 N 0.40 -5.84 -4.78 6.41 3.02 -0.17 -4.99 115.26 109.30 2py3 n ASN 638 Ca 0.20 -0.50 -0.37 0.00 -0.03 0.00 0.00 54.58 53.88 2py3 n ASN 638 Cb 0.93 -4.65 -0.06 0.00 -0.61 0.00 0.00 39.78 35.39 2py3 n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2py3 s VAL 639 N -3.29 5.23 0.10 2.41 1.01 -1.26 -4.85 120.40 119.75 2py3 s VAL 639 Ca 0.51 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 2py3 s VAL 639 Cb -0.23 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2py3 s VAL 639 CO 0.67 0.48 0.96 -0.04 0.00 0.00 0.00 175.10 177.16 2py3 s MET 640 N -0.22 4.68 -0.18 2.72 -1.94 -1.26 -2.22 119.30 120.87 2py3 s MET 640 Ca 0.20 1.43 -0.04 0.00 -1.71 0.00 0.00 55.69 55.57 2py3 s MET 640 Cb -0.14 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.37 2py3 s MET 640 CO 0.08 0.19 0.07 0.15 -0.01 0.00 0.00 175.02 175.49 2py3 s LYS 641 N 0.09 0.30 0.16 2.03 1.02 0.40 -4.23 119.74 119.51 2py3 s LYS 641 Ca 0.47 -0.22 -0.31 0.00 0.02 0.00 0.00 55.97 55.93 2py3 s LYS 641 Cb -0.23 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.02 2py3 s LYS 641 CO 0.29 -0.66 1.78 0.42 -0.92 0.00 0.00 175.35 176.26 2py3 s ILE 642 N 2.03 2.34 0.00 2.17 1.01 -0.71 -0.17 121.20 127.86 2py3 s ILE 642 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2py3 s ILE 642 Cb -0.16 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2py3 s ILE 642 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.86 2py3 n ALA 643 N 4.95 0.00 -3.34 9.38 0.00 0.81 -1.78 120.51 130.53 2py3 n ALA 643 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 2py3 n ALA 643 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 2py3 n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2py3 n ASP 644 N -1.61 -6.22 -1.51 0.00 2.03 -1.26 -4.83 116.55 103.15 2py3 n ASP 644 Ca 0.00 -0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.14 2py3 n ASP 644 Cb 0.00 -2.90 0.11 0.00 -0.72 0.00 0.00 41.12 37.60 2py3 n ASP 644 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2py3 n PHE 645 N -0.67 1.38 0.26 -0.67 3.01 -1.26 -4.48 117.46 115.04 2py3 n PHE 645 Ca -0.06 -1.00 0.08 0.00 1.01 0.00 0.00 57.45 57.49 2py3 n PHE 645 Cb 0.61 -0.53 0.38 0.00 -0.01 0.00 0.00 39.48 39.94 2py3 n PHE 645 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2py3 n GLY 646 N -0.18 -0.94 0.00 1.37 0.00 -1.26 -2.70 105.19 101.48 2py3 n GLY 646 Ca 0.26 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2py3 n GLY 646 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2py3 n LEU 647 N -1.95 0.32 -4.73 0.99 4.77 -1.26 -4.82 117.00 110.31 2py3 n LEU 647 Ca 0.01 -0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 55.03 2py3 n LEU 647 Cb 0.11 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2py3 n LEU 647 CO 0.11 0.08 0.90 0.00 -1.33 0.00 0.00 177.39 177.15 2py3 n ALA 648 N -0.54 1.15 -3.07 -1.18 0.00 -1.09 -4.77 120.51 111.01 2py3 n ALA 648 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2py3 n ALA 648 Cb 0.01 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 2py3 n ALA 648 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2py3 s ARG 649 N -3.36 1.21 0.40 0.00 0.52 -0.50 -4.94 118.95 112.28 2py3 s ARG 649 Ca 0.83 -0.85 -0.25 0.00 -0.52 0.00 0.00 55.73 54.94 2py3 s ARG 649 Cb -0.38 0.47 -0.09 0.00 0.52 0.00 0.00 34.95 35.48 2py3 s ARG 649 CO 0.40 -0.49 1.12 0.34 0.02 0.00 0.00 175.30 176.69 2py3 s ASP 650 N -2.86 6.62 0.51 0.23 -1.08 -1.26 -1.18 116.67 117.64 2py3 s ASP 650 Ca 0.08 2.22 0.27 0.00 -0.52 0.00 0.00 52.55 54.59 2py3 s ASP 650 Cb 0.01 -2.60 1.37 0.00 -1.46 0.00 0.00 42.92 40.24 2py3 s ASP 650 CO -0.06 -0.60 1.92 -0.29 0.52 0.00 0.00 175.17 176.66 2py3 h ILE 651 N 2.27 0.64 0.00 4.11 6.09 -1.11 -0.31 117.51 129.20 2py3 h ILE 651 Ca -0.48 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2py3 h ILE 651 Cb 1.23 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.06 2py3 h ILE 651 CO 0.62 0.02 -0.48 0.59 -3.07 0.00 0.00 178.15 175.83 2py3 n ASN 652 N -4.35 0.48 -3.53 2.19 3.02 -1.26 -4.43 115.26 107.37 2py3 n ASN 652 Ca 0.16 -0.17 -0.40 0.00 -0.03 0.00 0.00 54.58 54.13 2py3 n ASN 652 Cb 0.78 0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 40.15 2py3 n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2py3 n ASN 653 N -1.55 7.77 -3.97 6.41 5.15 -0.13 -4.89 115.26 124.06 2py3 n ASN 653 Ca 0.05 -3.21 -0.23 0.00 -0.60 0.00 0.00 54.58 50.60 2py3 n ASN 653 Cb 0.34 -1.35 -0.16 0.00 -0.53 0.00 0.00 39.78 38.08 2py3 n ASN 653 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2py3 s ILE 654 N -1.44 0.89 -1.34 -1.44 -1.09 -1.26 -4.71 121.20 110.80 2py3 s ILE 654 Ca 0.51 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 2py3 s ILE 654 Cb 0.18 -0.84 0.06 0.00 -1.58 0.00 0.00 42.46 40.28 2py3 s ILE 654 CO -0.09 0.30 1.87 -0.67 -1.23 0.00 0.00 174.94 175.12 2py3 n ASP 655 N 3.90 4.65 -4.59 3.58 2.03 -1.26 -4.95 116.55 119.91 2py3 n ASP 655 Ca -0.24 -2.90 -0.53 0.00 0.52 0.00 0.00 54.79 51.64 2py3 n ASP 655 Cb 0.51 -1.73 -0.06 0.00 -0.72 0.00 0.00 41.12 39.12 2py3 n ASP 655 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2py3 n TYR 656 N 7.78 1.43 -0.80 -0.67 4.01 -1.26 -2.38 117.16 125.27 2py3 n TYR 656 Ca 0.50 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.93 2py3 n TYR 656 Cb 0.44 -2.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 2py3 n TYR 656 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2py3 n TYR 657 N 2.57 0.00 -2.57 -0.72 0.53 -1.01 -4.98 117.16 110.98 2py3 n TYR 657 Ca 0.19 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.67 2py3 n TYR 657 Cb 0.17 -1.08 -0.05 0.00 -1.03 0.00 0.00 39.34 37.35 2py3 n TYR 657 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2py3 s LYS 658 N -0.88 4.69 0.29 -0.72 2.47 -1.00 -4.92 119.74 119.67 2py3 s LYS 658 Ca 0.00 1.69 0.24 0.00 -1.56 0.00 0.00 55.97 56.34 2py3 s LYS 658 Cb 0.00 -3.18 1.07 0.00 -1.46 0.00 0.00 37.83 34.25 2py3 s LYS 658 CO 0.00 0.29 1.72 1.57 0.16 0.00 0.00 175.35 179.09 2py3 h LYS 659 N 3.85 0.00 -0.01 4.03 2.10 -1.93 -2.69 116.57 121.92 2py3 h LYS 659 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2py3 h LYS 659 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2py3 h LYS 659 CO 0.67 0.00 -0.31 0.25 -2.00 0.00 0.00 179.45 178.06 2py3 n THR 660 N -2.30 0.00 -2.47 0.07 -2.24 -1.26 -4.90 114.28 101.18 2py3 n THR 660 Ca 0.01 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 2py3 n THR 660 Cb 0.18 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 2py3 n THR 660 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2py3 s THR 661 N -2.42 3.51 -1.65 4.28 2.01 -1.02 -3.45 115.64 116.91 2py3 s THR 661 Ca 0.23 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.73 2py3 s THR 661 Cb 0.19 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2py3 s THR 661 CO 0.51 0.35 0.00 0.59 -0.69 0.00 0.00 174.62 175.38 2py3 n ASN 662 N 1.31 -4.88 0.03 3.53 3.02 -1.26 -4.88 115.26 112.13 2py3 n ASN 662 Ca -0.01 0.36 0.10 0.00 -0.03 0.00 0.00 54.58 55.00 2py3 n ASN 662 Cb 0.45 -3.78 0.41 0.00 -0.61 0.00 0.00 39.78 36.24 2py3 n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2py3 n GLY 663 N -1.05 -1.18 0.77 7.41 0.00 -1.22 -3.41 105.19 106.51 2py3 n GLY 663 Ca -0.16 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.89 2py3 n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 n ARG 664 N -1.67 2.30 -3.70 1.61 1.74 -1.26 -4.98 116.66 110.69 2py3 n ARG 664 Ca 0.04 -2.88 -0.36 0.00 -0.77 0.00 0.00 57.85 53.89 2py3 n ARG 664 Cb 0.23 -1.76 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 2py3 n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2py3 s LEU 665 N -2.95 4.24 -0.09 0.55 1.43 -1.22 -5.02 118.68 115.62 2py3 s LEU 665 Ca 0.41 0.33 -0.36 0.00 -1.03 0.00 0.00 54.13 53.47 2py3 s LEU 665 Cb 0.34 -2.16 -0.14 0.00 0.03 0.00 0.00 46.19 44.27 2py3 s LEU 665 CO 0.05 0.19 1.75 -2.65 0.23 0.00 0.00 176.35 175.92 2py3 n PRO 666 N 3.34 1.77 -0.33 1.29 -0.02 -1.26 -4.84 135.00 134.95 2py3 n PRO 666 Ca -0.15 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 2py3 n PRO 666 Cb 0.52 -2.42 0.28 0.00 -0.02 0.00 0.00 33.50 31.87 2py3 n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2py3 h VAL 667 N 4.92 0.74 0.00 -1.45 2.07 -1.95 -2.66 116.25 117.92 2py3 h VAL 667 Ca -0.47 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2py3 h VAL 667 Cb 1.29 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2py3 h VAL 667 CO 0.93 0.14 0.00 0.29 0.02 0.00 0.00 177.57 178.94 2py3 n LYS 668 N -4.79 0.22 -0.01 1.57 5.02 -1.26 -2.35 118.16 116.57 2py3 n LYS 668 Ca 0.21 0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.63 2py3 n LYS 668 Cb 0.50 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 2py3 n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2py3 n TRP 669 N -1.32 0.02 -3.19 2.13 8.01 -1.02 -4.97 117.44 117.10 2py3 n TRP 669 Ca 0.08 -0.11 -0.39 0.00 -1.31 0.00 0.00 57.50 55.77 2py3 n TRP 669 Cb 0.16 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.39 2py3 n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2py3 s MET 670 N -0.35 4.38 0.31 -0.99 1.75 -0.99 -3.93 119.30 119.49 2py3 s MET 670 Ca 0.03 0.66 -0.29 0.00 -1.25 0.00 0.00 55.69 54.84 2py3 s MET 670 Cb 0.02 -3.43 -0.10 0.00 2.84 0.00 0.00 34.83 34.15 2py3 s MET 670 CO 0.03 0.13 1.37 0.00 -0.65 0.00 0.00 175.02 175.89 2py3 s ALA 671 N 0.65 3.54 0.24 4.11 0.00 -1.26 -4.93 121.76 124.11 2py3 s ALA 671 Ca 0.31 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.51 2py3 s ALA 671 Cb -0.16 -3.52 0.39 0.00 0.00 0.00 0.00 23.12 19.83 2py3 s ALA 671 CO 0.14 -0.73 1.63 -1.35 0.00 0.00 0.00 175.76 175.46 2py3 h PRO 672 N 3.79 0.08 -0.01 0.00 0.11 -1.96 -1.00 132.00 133.01 2py3 h PRO 672 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2py3 h PRO 672 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2py3 h PRO 672 CO 0.69 0.05 0.01 1.05 -0.21 0.00 0.00 178.00 179.59 2py3 h GLU 673 N 0.08 0.00 -0.07 1.05 9.09 -1.91 -1.74 114.58 121.08 2py3 h GLU 673 Ca 0.39 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.82 2py3 h GLU 673 Cb 0.66 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.76 2py3 h GLU 673 CO -0.66 0.00 0.07 0.00 0.05 0.00 0.00 179.01 178.47 2py3 h ALA 674 N 1.99 1.72 0.00 1.06 0.00 -1.26 0.91 119.26 123.69 2py3 h ALA 674 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 2py3 h ALA 674 Cb 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2py3 h ALA 674 CO -0.00 -0.11 -2.20 -0.11 0.00 0.00 0.00 179.25 176.83 2py3 n LEU 675 N -3.97 2.69 0.01 0.00 7.94 -0.74 -3.53 117.00 119.39 2py3 n LEU 675 Ca -0.01 -0.03 -0.12 0.00 -1.11 0.00 0.00 56.01 54.74 2py3 n LEU 675 Cb 0.17 -0.71 0.01 0.00 0.53 0.00 0.00 43.42 43.42 2py3 n LEU 675 CO 0.29 0.77 0.37 -0.26 -1.11 0.00 0.00 177.39 177.45 2py3 h PHE 676 N -0.17 0.77 -0.00 1.96 0.04 -1.27 -3.34 116.94 114.93 2py3 h PHE 676 Ca -0.49 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 59.97 2py3 h PHE 676 Cb 1.67 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.70 2py3 h PHE 676 CO 0.00 1.09 -0.54 -0.25 -0.60 0.00 0.00 178.31 178.01 2py3 n ASP 677 N -3.91 0.58 -3.28 2.17 8.00 0.26 -5.01 116.55 115.36 2py3 n ASP 677 Ca -0.05 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.45 2py3 n ASP 677 Cb 0.68 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.83 2py3 n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2py3 n ARG 678 N -1.24 -7.15 -4.48 -1.24 5.12 -0.86 -3.98 116.66 102.82 2py3 n ARG 678 Ca 0.02 0.74 -0.23 0.00 -1.93 0.00 0.00 57.85 56.46 2py3 n ARG 678 Cb 0.19 -5.54 -0.11 0.00 -1.16 0.00 0.00 32.46 25.84 2py3 n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2py3 s VAL 679 N -3.29 1.62 -0.26 1.55 -7.23 -1.24 -2.40 120.40 109.16 2py3 s VAL 679 Ca 0.52 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2py3 s VAL 679 Cb -0.23 -2.68 0.13 0.00 0.56 0.00 0.00 36.38 34.16 2py3 s VAL 679 CO 0.65 -0.14 0.51 -0.47 -0.31 0.00 0.00 175.10 175.35 2py3 s TYR 680 N -3.01 -1.12 0.42 2.82 5.04 -1.26 -3.75 117.35 116.49 2py3 s TYR 680 Ca 0.33 1.66 0.03 0.00 -2.44 0.00 0.00 57.07 56.66 2py3 s TYR 680 Cb 0.06 0.45 -0.04 0.00 0.35 0.00 0.00 41.96 42.78 2py3 s TYR 680 CO 0.15 -0.66 0.06 0.95 -1.34 0.00 0.00 175.55 174.70 2py3 s THR 681 N 2.73 1.12 0.55 4.34 -4.23 -1.26 -4.98 115.64 113.91 2py3 s THR 681 Ca 0.04 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.80 2py3 s THR 681 Cb -0.13 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.58 2py3 s THR 681 CO -0.17 0.00 2.05 0.45 -0.54 0.00 0.00 174.62 176.42 2py3 h HIS 682 N 1.72 0.00 0.00 3.99 -0.00 -1.99 0.25 115.15 119.11 2py3 h HIS 682 Ca -0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2py3 h HIS 682 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.68 2py3 h HIS 682 CO 1.19 0.00 -0.02 1.96 -0.00 0.00 0.00 177.93 181.06 2py3 h GLN 683 N 0.00 0.00 -0.20 2.45 1.08 -1.93 -1.66 115.11 114.85 2py3 h GLN 683 Ca 0.15 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.15 2py3 h GLN 683 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2py3 h GLN 683 CO -0.00 0.02 -0.68 0.77 -0.95 0.00 0.00 178.83 177.99 2py3 h SER 684 N 0.00 0.90 -0.67 1.46 0.02 -0.89 -2.83 113.55 111.55 2py3 h SER 684 Ca -0.00 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.35 2py3 h SER 684 Cb 0.60 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2py3 h SER 684 CO 0.00 1.34 0.19 0.44 -1.14 0.00 0.00 176.83 177.66 2py3 h ASP 685 N 0.56 1.00 -0.04 3.07 3.45 -1.16 -2.52 116.42 120.78 2py3 h ASP 685 Ca -0.02 -0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.19 2py3 h ASP 685 Cb 1.29 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 2py3 h ASP 685 CO 0.14 0.95 -0.10 -0.37 -1.57 0.00 0.00 179.24 178.28 2py3 h VAL 686 N 1.02 1.18 -0.10 -1.35 -1.51 -1.22 -0.20 116.25 114.07 2py3 h VAL 686 Ca 0.22 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2py3 h VAL 686 Cb 0.32 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2py3 h VAL 686 CO -0.00 0.25 0.06 -0.25 -1.23 0.00 0.00 177.57 176.40 2py3 h TRP 687 N 0.29 0.13 -0.73 5.19 2.91 -1.21 -1.49 115.95 121.04 2py3 h TRP 687 Ca 0.06 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.09 2py3 h TRP 687 Cb 0.37 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 2py3 h TRP 687 CO 0.01 0.10 0.48 0.77 -1.03 0.00 0.00 178.44 178.77 2py3 h SER 688 N 0.12 0.83 -0.80 2.65 0.02 -1.11 -0.65 113.55 114.61 2py3 h SER 688 Ca 0.04 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2py3 h SER 688 Cb 0.00 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 2py3 h SER 688 CO -0.01 0.59 0.53 0.15 -1.14 0.00 0.00 176.83 176.95 2py3 h PHE 689 N 0.97 0.92 -0.18 3.45 3.57 -0.32 -0.08 116.94 125.27 2py3 h PHE 689 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2py3 h PHE 689 Cb -0.08 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 2py3 h PHE 689 CO -0.00 0.51 0.12 0.78 -2.23 0.00 0.00 178.31 177.49 2py3 h GLY 690 N 0.94 0.26 0.91 2.40 0.00 -0.12 0.31 103.07 107.76 2py3 h GLY 690 Ca 0.33 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2py3 h GLY 690 CO -0.11 0.09 0.09 -2.08 0.00 0.00 0.00 176.54 174.53 2py3 h VAL 691 N 0.25 0.99 -0.68 4.60 2.07 -1.11 -1.09 116.25 121.28 2py3 h VAL 691 Ca 0.07 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2py3 h VAL 691 Cb -0.03 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 2py3 h VAL 691 CO -0.02 0.03 0.22 0.25 0.02 0.00 0.00 177.57 178.08 2py3 h LEU 692 N 0.19 0.16 -0.75 2.57 5.85 -0.52 0.14 115.31 122.95 2py3 h LEU 692 Ca 0.08 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2py3 h LEU 692 Cb 0.02 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2py3 h LEU 692 CO -0.06 0.07 0.45 0.24 -0.34 0.00 0.00 178.44 178.81 2py3 h MET 693 N 0.37 0.82 -0.62 1.25 2.86 0.53 -0.21 114.93 119.93 2py3 h MET 693 Ca 0.36 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 2py3 h MET 693 Cb 0.53 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2py3 h MET 693 CO -0.39 0.54 0.17 2.35 1.06 0.00 0.00 176.91 180.65 2py3 h TRP 694 N 0.85 0.97 -0.38 -0.22 7.01 0.38 -1.19 115.95 123.37 2py3 h TRP 694 Ca 0.32 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 2py3 h TRP 694 Cb 0.13 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2py3 h TRP 694 CO -0.05 0.79 0.05 0.93 -2.79 0.00 0.00 178.44 177.37 2py3 h GLU 695 N 0.91 0.65 0.28 2.65 5.08 -0.05 -2.27 114.58 121.82 2py3 h GLU 695 Ca 0.20 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2py3 h GLU 695 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2py3 h GLU 695 CO -0.01 0.72 -0.25 0.82 -1.00 0.00 0.00 179.01 179.29 2py3 h ILE 696 N 0.49 0.47 0.00 3.13 2.04 -0.66 0.44 117.51 123.42 2py3 h ILE 696 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2py3 h ILE 696 Cb 0.39 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2py3 h ILE 696 CO 0.01 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.65 2py3 n PHE 697 N -5.37 0.27 -0.03 1.37 3.72 -0.49 -1.09 117.46 115.84 2py3 n PHE 697 Ca -0.09 0.10 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2py3 n PHE 697 Cb 0.28 -0.66 0.25 0.00 -0.94 0.00 0.00 39.48 38.41 2py3 n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2py3 n THR 698 N -1.74 0.75 -3.62 4.37 -2.24 -0.86 -4.39 114.28 106.56 2py3 n THR 698 Ca 0.04 -0.87 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 2py3 n THR 698 Cb 0.22 0.74 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 2py3 n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2py3 n LEU 699 N 1.43 -3.41 0.00 3.22 4.77 -0.25 -3.24 117.00 119.52 2py3 n LEU 699 Ca 0.20 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2py3 n LEU 699 Cb 0.58 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2py3 n LEU 699 CO 0.15 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2py3 n GLY 700 N -1.58 1.01 3.78 -0.72 0.00 0.15 -2.91 105.19 104.92 2py3 n GLY 700 Ca -0.15 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2py3 n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2py3 s GLY 701 N -2.25 1.96 -0.17 -0.02 0.00 -1.20 -4.90 107.32 100.74 2py3 s GLY 701 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.88 2py3 s GLY 701 CO 0.00 0.71 0.65 -0.56 0.00 0.00 0.00 173.10 173.90 2py3 s SER 702 N -3.01 6.75 0.64 1.64 0.01 -1.26 -4.67 113.70 113.80 2py3 s SER 702 Ca 0.63 0.91 -0.18 0.00 1.31 0.00 0.00 55.95 58.62 2py3 s SER 702 Cb -0.18 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2py3 s SER 702 CO 0.46 -0.24 1.31 -0.81 0.41 0.00 0.00 173.24 174.37 2py3 n PRO 703 N 4.80 1.20 -3.86 12.44 -0.04 -1.26 -3.57 135.00 144.70 2py3 n PRO 703 Ca -0.01 0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 63.59 2py3 n PRO 703 Cb 0.50 -2.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.43 2py3 n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2py3 n TYR 704 N -1.81 -1.71 -1.68 0.54 4.01 -1.26 -4.82 117.16 110.44 2py3 n TYR 704 Ca 0.15 0.49 -0.46 0.00 -0.16 0.00 0.00 57.90 57.92 2py3 n TYR 704 Cb 0.48 -3.41 -0.04 0.00 -0.31 0.00 0.00 39.34 36.05 2py3 n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2py3 n PRO 705 N -4.42 2.24 -0.29 -0.72 -0.04 -1.23 -1.82 135.00 128.71 2py3 n PRO 705 Ca -0.18 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2py3 n PRO 705 Cb 0.62 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2py3 n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2py3 n GLY 706 N 3.88 1.35 3.43 0.55 0.00 -1.26 -5.02 105.19 108.12 2py3 n GLY 706 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2py3 n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2py3 s ILE 707 N -2.91 4.33 0.61 -0.61 1.01 -0.76 -5.08 121.20 117.79 2py3 s ILE 707 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 2py3 s ILE 707 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2py3 s ILE 707 CO 0.00 0.22 1.15 -2.16 0.00 0.00 0.00 174.94 174.15 2py3 s PRO 708 N 1.59 2.98 0.33 2.79 0.04 -1.26 -4.87 135.00 136.60 2py3 s PRO 708 Ca 0.05 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.75 2py3 s PRO 708 Cb -0.16 -1.96 0.68 0.00 0.04 0.00 0.00 34.50 33.11 2py3 s PRO 708 CO 0.04 -1.15 1.88 0.28 0.04 0.00 0.00 177.00 178.09 2py3 h VAL 709 N 0.62 0.92 0.00 -0.36 2.07 -1.98 -1.33 116.25 116.20 2py3 h VAL 709 Ca -0.49 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2py3 h VAL 709 Cb 1.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2py3 h VAL 709 CO 0.55 0.15 -0.02 -0.33 0.02 0.00 0.00 177.57 177.94 2py3 h GLU 710 N 0.85 0.00 0.00 1.57 3.07 -2.04 -2.79 114.58 115.24 2py3 h GLU 710 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2py3 h GLU 710 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2py3 h GLU 710 CO -0.20 0.02 -1.05 0.39 -1.40 0.00 0.00 179.01 176.77 2py3 n GLU 711 N -3.38 1.22 -0.04 2.33 1.02 -0.53 -4.71 120.64 116.54 2py3 n GLU 711 Ca -0.02 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 2py3 n GLU 711 Cb 0.13 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2py3 n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2py3 h LEU 712 N 0.00 0.17 -1.54 -4.62 5.85 -1.19 -3.12 115.31 110.87 2py3 h LEU 712 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2py3 h LEU 712 Cb 0.50 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2py3 h LEU 712 CO 0.00 0.13 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.73 2py3 h PHE 713 N 0.23 0.00 -0.36 1.25 -1.00 -1.84 0.90 116.94 116.11 2py3 h PHE 713 Ca 0.08 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.72 2py3 h PHE 713 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2py3 h PHE 713 CO -0.09 0.24 -0.34 -0.22 -1.61 0.00 0.00 178.31 176.30 2py3 h LYS 714 N 0.00 0.87 -0.13 1.51 3.64 -1.87 -1.00 116.57 119.58 2py3 h LYS 714 Ca -0.00 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2py3 h LYS 714 Cb 0.45 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2py3 h LYS 714 CO 0.03 1.10 0.05 -0.07 -2.27 0.00 0.00 179.45 178.29 2py3 h LEU 715 N 0.67 0.19 -1.07 5.20 3.38 -1.33 -1.78 115.31 120.56 2py3 h LEU 715 Ca 0.06 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2py3 h LEU 715 Cb 0.92 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 2py3 h LEU 715 CO 0.09 0.30 0.62 -0.07 0.09 0.00 0.00 178.44 179.47 2py3 h LEU 716 N 0.06 0.97 -1.40 1.67 4.07 -0.78 0.64 115.31 120.54 2py3 h LEU 716 Ca 0.04 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 2py3 h LEU 716 Cb 0.17 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 2py3 h LEU 716 CO -0.00 0.61 -0.30 0.50 -1.08 0.00 0.00 178.44 178.17 2py3 h LYS 717 N 1.10 0.00 -0.00 1.13 3.64 -0.85 -2.34 116.57 119.25 2py3 h LYS 717 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2py3 h LYS 717 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2py3 h LYS 717 CO -0.17 0.30 -0.20 0.39 -2.27 0.00 0.00 179.45 177.50 2py3 n GLU 718 N -4.17 0.18 0.00 1.90 1.02 0.11 -4.93 120.64 114.74 2py3 n GLU 718 Ca -0.02 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2py3 n GLU 718 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2py3 n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2py3 n GLY 719 N 1.44 0.73 3.76 0.62 0.00 -0.60 -5.08 105.19 106.06 2py3 n GLY 719 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2py3 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2py3 s HIS 720 N -2.00 2.77 -0.01 1.61 5.04 -0.55 -4.98 115.29 117.18 2py3 s HIS 720 Ca 0.00 0.94 -0.07 0.00 -1.54 0.00 0.00 55.06 54.40 2py3 s HIS 720 Cb 0.00 -4.00 0.00 0.00 0.04 0.00 0.00 32.58 28.63 2py3 s HIS 720 CO 0.00 -3.21 0.13 1.03 -2.34 0.00 0.00 174.74 170.35 2py3 s ARG 721 N -0.91 0.41 0.53 2.88 1.81 -1.26 -4.48 118.95 117.94 2py3 s ARG 721 Ca 0.59 -0.28 -0.22 0.00 -1.72 0.00 0.00 55.73 54.11 2py3 s ARG 721 Cb -0.46 0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 2py3 s ARG 721 CO 0.51 -0.09 1.33 -1.64 -0.68 0.00 0.00 175.30 174.73 2py3 s MET 722 N -1.07 3.24 0.76 3.54 -1.94 -1.26 -5.00 119.30 117.58 2py3 s MET 722 Ca -0.12 2.17 -0.11 0.00 -1.71 0.00 0.00 55.69 55.92 2py3 s MET 722 Cb -0.06 -2.28 0.05 0.00 2.01 0.00 0.00 34.83 34.54 2py3 s MET 722 CO 0.01 -1.09 1.10 -0.51 -0.01 0.00 0.00 175.02 174.52 2py3 s ASP 723 N -1.01 4.85 0.30 3.03 1.01 -1.26 -4.99 116.67 118.59 2py3 s ASP 723 Ca 0.70 1.23 -0.29 0.00 0.71 0.00 0.00 52.55 54.90 2py3 s ASP 723 Cb -0.39 -1.98 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 2py3 s ASP 723 CO 0.46 -1.73 1.50 -0.75 0.21 0.00 0.00 175.17 174.85 2py3 s LYS 724 N -5.24 4.19 0.38 8.23 2.20 -1.26 -4.99 119.74 123.25 2py3 s LYS 724 Ca 0.60 2.46 -0.24 0.00 -0.36 0.00 0.00 55.97 58.43 2py3 s LYS 724 Cb -0.13 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.05 2py3 s LYS 724 CO 0.53 -0.51 0.99 -2.14 -0.36 0.00 0.00 175.35 173.87 2py3 s PRO 725 N -0.91 4.32 0.11 4.03 0.02 -1.26 -4.98 135.00 136.33 2py3 s PRO 725 Ca 0.59 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2py3 s PRO 725 Cb -0.45 -2.54 -0.09 0.00 0.02 0.00 0.00 34.50 31.44 2py3 s PRO 725 CO 0.50 0.03 1.61 0.00 -0.33 0.00 0.00 177.00 178.81 2py3 h ALA 726 N 2.58 -0.58 0.00 -1.55 0.00 -1.94 -2.62 119.26 115.15 2py3 h ALA 726 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2py3 h ALA 726 Cb 1.20 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2py3 h ALA 726 CO 0.63 -0.88 0.00 0.09 0.00 0.00 0.00 179.25 179.08 2py3 n ASN 727 N -5.43 4.39 -4.05 0.00 3.02 -1.26 -4.76 115.26 107.17 2py3 n ASN 727 Ca -0.07 -2.18 -0.20 0.00 -0.03 0.00 0.00 54.58 52.11 2py3 n ASN 727 Cb 0.34 -0.90 -0.15 0.00 -0.61 0.00 0.00 39.78 38.46 2py3 n ASN 727 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2py3 s THR 729 N -0.28 4.67 0.35 0.00 -4.23 -1.26 -4.86 115.64 110.03 2py3 s THR 729 Ca 0.04 0.90 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2py3 s THR 729 Cb -0.04 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.34 2py3 s THR 729 CO -0.00 -0.72 1.91 0.78 -0.54 0.00 0.00 174.62 176.05 2py3 h ASN 730 N 0.77 0.70 -0.03 3.99 2.35 -1.98 -1.18 115.58 120.20 2py3 h ASN 730 Ca -0.46 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2py3 h ASN 730 Cb 1.19 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 2py3 h ASN 730 CO 0.62 0.41 0.02 -0.08 -1.65 0.00 0.00 177.43 176.76 2py3 h GLU 731 N 0.77 0.05 -0.45 0.81 4.81 -1.99 0.14 114.58 118.72 2py3 h GLU 731 Ca 0.38 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2py3 h GLU 731 Cb 0.46 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2py3 h GLU 731 CO -0.15 0.04 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.03 2py3 h LEU 732 N 0.04 0.75 -0.76 1.64 3.38 -1.79 -1.66 115.31 116.91 2py3 h LEU 732 Ca 0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2py3 h LEU 732 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2py3 h LEU 732 CO -0.00 0.86 0.04 0.22 0.09 0.00 0.00 178.44 179.64 2py3 h TYR 733 N 0.71 1.05 -0.25 1.13 3.20 -0.92 -1.56 116.97 120.33 2py3 h TYR 733 Ca 0.13 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2py3 h TYR 733 Cb 0.53 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2py3 h TYR 733 CO 0.03 0.92 0.07 0.52 -1.64 0.00 0.00 178.16 178.05 2py3 h MET 734 N 0.91 0.35 -0.47 1.82 2.86 -0.20 -0.36 114.93 119.84 2py3 h MET 734 Ca 0.17 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 2py3 h MET 734 Cb 0.48 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2py3 h MET 734 CO 0.02 0.33 -0.12 1.98 1.06 0.00 0.00 176.91 180.18 2py3 h MET 735 N 0.35 0.86 -0.10 1.72 1.85 -0.39 -1.04 114.93 118.18 2py3 h MET 735 Ca 0.09 -0.30 -0.00 0.00 -0.61 0.00 0.00 59.70 58.87 2py3 h MET 735 Cb 0.13 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.09 2py3 h MET 735 CO -0.01 0.93 0.05 0.52 -0.40 0.00 0.00 176.91 178.01 2py3 h MET 736 N 0.77 0.15 -0.77 0.39 2.07 -0.36 -1.87 114.93 115.31 2py3 h MET 736 Ca 0.13 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.75 2py3 h MET 736 Cb 0.63 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.29 2py3 h MET 736 CO 0.04 0.21 0.51 0.00 1.07 0.00 0.00 176.91 178.74 2py3 h ARG 737 N 0.05 0.98 -0.18 1.72 2.47 -1.01 -1.26 114.38 117.14 2py3 h ARG 737 Ca 0.04 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2py3 h ARG 737 Cb 0.11 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 2py3 h ARG 737 CO -0.00 0.65 0.10 -0.44 0.56 0.00 0.00 179.97 180.83 2py3 h ASP 738 N 1.01 0.23 -0.08 7.04 3.32 -0.87 -1.58 116.42 125.48 2py3 h ASP 738 Ca 0.29 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2py3 h ASP 738 Cb -0.06 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2py3 h ASP 738 CO -0.07 0.24 0.07 0.00 -1.72 0.00 0.00 179.24 177.76 2py3 n TRP 740 N -4.31 1.93 -1.92 0.00 8.01 -0.56 -3.81 117.44 116.78 2py3 n TRP 740 Ca -0.01 -0.84 -0.41 0.00 -1.31 0.00 0.00 57.50 54.93 2py3 n TRP 740 Cb 0.18 -0.54 -0.02 0.00 -2.01 0.00 0.00 31.31 28.92 2py3 n TRP 740 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2py3 s HIS 741 N -2.53 2.85 0.21 -5.99 2.46 -0.34 -4.87 115.29 107.07 2py3 s HIS 741 Ca 0.46 1.07 -0.09 0.00 0.47 0.00 0.00 55.06 56.97 2py3 s HIS 741 Cb 0.36 -3.91 0.26 0.00 -0.13 0.00 0.00 32.58 29.16 2py3 s HIS 741 CO 0.12 -2.83 1.79 0.00 -2.47 0.00 0.00 174.74 171.36 2py3 h ALA 742 N 4.17 0.88 -2.02 1.58 0.00 -1.90 -3.39 119.26 118.58 2py3 h ALA 742 Ca -0.48 0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 2py3 h ALA 742 Cb 1.23 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2py3 h ALA 742 CO 0.72 -0.02 0.74 0.08 0.00 0.00 0.00 179.25 180.78 2py3 s VAL 743 N -6.09 4.58 0.17 0.00 1.01 -1.26 -4.93 120.40 113.88 2py3 s VAL 743 Ca -0.13 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 2py3 s VAL 743 Cb 0.16 -4.35 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2py3 s VAL 743 CO 0.76 -0.43 1.57 -0.65 0.00 0.00 0.00 175.10 176.35 2py3 h PRO 744 N 8.11 -0.23 0.00 2.72 0.11 -1.95 -0.49 132.00 140.27 2py3 h PRO 744 Ca -0.21 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2py3 h PRO 744 Cb 1.07 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2py3 h PRO 744 CO 1.00 -0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 2py3 n SER 745 N -5.41 0.00 -0.18 -2.05 3.41 -1.26 -1.68 113.62 106.44 2py3 n SER 745 Ca 0.02 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 2py3 n SER 745 Cb 0.35 -0.50 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 2py3 n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2py3 n GLN 746 N -1.50 0.60 -2.70 4.33 1.13 -0.20 -4.85 117.38 114.19 2py3 n GLN 746 Ca 0.02 -0.37 -0.32 0.00 -1.94 0.00 0.00 57.00 54.39 2py3 n GLN 746 Cb 0.10 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.90 2py3 n GLN 746 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2py3 s ARG 747 N -2.66 4.05 0.89 -1.09 0.52 -0.68 -4.92 118.95 115.07 2py3 s ARG 747 Ca 0.20 0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 2py3 s ARG 747 Cb 0.19 -2.21 0.13 0.00 0.52 0.00 0.00 34.95 33.57 2py3 s ARG 747 CO 0.59 -0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.65 2py3 s PRO 748 N -3.56 1.30 0.56 3.54 0.04 -1.26 -5.03 135.00 130.58 2py3 s PRO 748 Ca 0.59 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2py3 s PRO 748 Cb -0.10 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.65 2py3 s PRO 748 CO 0.22 -2.20 0.80 0.95 0.04 0.00 0.00 177.00 176.82 2py3 s THR 749 N -2.96 3.06 0.34 1.26 -4.23 -1.26 -4.93 115.64 106.91 2py3 s THR 749 Ca 0.63 -0.47 0.15 0.00 -1.18 0.00 0.00 61.69 60.82 2py3 s THR 749 Cb -0.18 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.59 2py3 s THR 749 CO 0.57 -0.14 1.82 -0.26 -0.54 0.00 0.00 174.62 176.06 2py3 h PHE 750 N 0.01 0.00 -0.54 3.99 0.04 -1.93 -1.54 116.94 116.97 2py3 h PHE 750 Ca -0.44 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.32 2py3 h PHE 750 Cb 1.28 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.41 2py3 h PHE 750 CO 0.40 0.37 0.30 -0.22 -0.60 0.00 0.00 178.31 178.56 2py3 h LYS 751 N 0.00 0.76 -0.25 1.51 3.64 -1.92 -0.75 116.57 119.56 2py3 h LYS 751 Ca -0.00 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2py3 h LYS 751 Cb 0.70 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2py3 h LYS 751 CO 0.05 0.58 -0.45 1.96 -2.27 0.00 0.00 179.45 179.32 2py3 h GLN 752 N 0.73 0.64 -0.47 1.90 4.20 -1.85 -2.78 115.11 117.48 2py3 h GLN 752 Ca 0.19 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 2py3 h GLN 752 Cb 0.05 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2py3 h GLN 752 CO -0.03 0.96 0.17 -0.07 -0.67 0.00 0.00 178.83 179.20 2py3 h LEU 753 N 0.52 0.67 -0.50 1.46 3.38 -0.95 -2.00 115.31 117.89 2py3 h LEU 753 Ca 0.03 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2py3 h LEU 753 Cb 0.99 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2py3 h LEU 753 CO 0.09 0.67 0.31 0.58 0.09 0.00 0.00 178.44 180.18 2py3 h VAL 754 N 0.62 1.08 -0.16 1.22 2.07 -1.10 0.15 116.25 120.13 2py3 h VAL 754 Ca 0.16 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2py3 h VAL 754 Cb 0.22 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2py3 h VAL 754 CO -0.01 0.11 0.06 -0.33 0.02 0.00 0.00 177.57 177.43 2py3 h GLU 755 N 0.63 0.14 -0.56 1.57 5.08 -1.26 -0.10 114.58 120.08 2py3 h GLU 755 Ca 0.19 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2py3 h GLU 755 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2py3 h GLU 755 CO -0.07 0.09 0.01 -0.44 -1.00 0.00 0.00 179.01 177.61 2py3 h ASP 756 N 0.15 0.96 -0.51 1.42 3.32 -1.14 -1.91 116.42 118.70 2py3 h ASP 756 Ca 0.06 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 2py3 h ASP 756 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2py3 h ASP 756 CO -0.06 1.02 0.01 -0.07 -1.72 0.00 0.00 179.24 178.42 2py3 h LEU 757 N 0.86 0.91 -0.27 1.55 3.38 -0.81 -0.70 115.31 120.23 2py3 h LEU 757 Ca 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2py3 h LEU 757 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2py3 h LEU 757 CO 0.03 0.97 0.13 -0.78 0.09 0.00 0.00 178.44 178.87 2py3 h ASP 758 N 0.87 0.35 -0.26 -0.43 3.58 -0.87 0.32 116.42 119.97 2py3 h ASP 758 Ca 0.16 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.50 2py3 h ASP 758 Cb 0.50 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2py3 h ASP 758 CO 0.02 0.38 0.13 -0.09 -2.88 0.00 0.00 179.24 176.80 2py3 h ARG 759 N 0.30 0.26 -0.42 0.28 2.43 -1.10 0.17 114.38 116.30 2py3 h ARG 759 Ca 0.09 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2py3 h ARG 759 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2py3 h ARG 759 CO -0.01 0.18 0.19 0.82 -1.51 0.00 0.00 179.97 179.64 2py3 h ILE 760 N 0.27 1.18 -0.69 1.20 2.04 -0.84 -1.98 117.51 118.70 2py3 h ILE 760 Ca 0.11 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2py3 h ILE 760 Cb 0.03 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2py3 h ILE 760 CO -0.08 0.20 0.32 0.25 0.00 0.00 0.00 178.15 178.85 2py3 h LEU 761 N 0.54 0.90 -1.25 1.44 5.85 -0.06 -1.05 115.31 121.68 2py3 h LEU 761 Ca 0.14 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2py3 h LEU 761 Cb 0.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2py3 h LEU 761 CO -0.02 0.79 0.27 0.74 -0.34 0.00 0.00 178.44 179.88 2py3 h THR 762 N 0.96 1.19 -0.08 1.05 2.02 -0.43 -1.10 112.91 116.51 2py3 h THR 762 Ca 0.24 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2py3 h THR 762 Cb 0.13 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2py3 h THR 762 CO -0.03 0.22 -0.30 0.25 0.37 0.00 0.00 175.52 176.03 2py3 h LEU 763 N 0.79 0.41 -2.10 2.58 5.85 -0.97 -1.05 115.31 120.83 2py3 h LEU 763 Ca 0.20 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2py3 h LEU 763 Cb 0.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2py3 h LEU 763 CO -0.03 0.96 -0.05 0.74 -0.34 0.00 0.00 178.44 179.72 2py3 h THR 764 N -0.12 0.78 0.07 1.05 2.02 -0.97 -2.66 112.91 113.09 2py3 h THR 764 Ca -0.01 -0.19 -0.31 0.00 0.77 0.00 0.00 66.41 66.67 2py3 h THR 764 Cb 0.93 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2py3 h THR 764 CO 0.06 0.05 -1.65 0.74 0.37 0.00 0.00 175.52 175.09 2py3 h THR 765 N 0.00 0.98 -0.02 3.16 2.02 -1.16 -3.49 112.91 114.41 2py3 h THR 765 Ca -0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2py3 h THR 765 Cb 0.11 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2py3 h THR 765 CO 0.01 0.74 0.00 0.59 0.37 0.00 0.00 175.52 177.23