#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1g s GLN 467 N 0.00 1.40 0.15 5.55 -0.21 -1.26 -0.84 119.66 124.45 1f1g s GLN 467 Ca 0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 1f1g s GLN 467 Cb 0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 1f1g s GLN 467 CO 0.00 0.40 0.09 0.00 -2.12 0.00 0.00 175.29 173.66 1f1g s ALA 468 N -0.90 0.88 -0.08 6.09 0.00 -0.21 -1.46 121.76 126.08 1f1g s ALA 468 Ca 0.09 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 1f1g s ALA 468 Cb -0.09 0.98 0.04 0.00 0.00 0.00 0.00 23.12 24.05 1f1g s ALA 468 CO 0.03 -0.52 0.44 0.54 0.00 0.00 0.00 175.76 176.24 1f1g s VAL 469 N -4.07 0.02 -0.05 0.00 0.11 0.32 -0.91 120.40 115.83 1f1g s VAL 469 Ca 0.27 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 1f1g s VAL 469 Cb 0.07 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1f1g s VAL 469 CO 0.04 -0.11 -0.15 0.00 -3.33 0.00 0.00 175.10 171.55 1f1g s ALA 470 N -0.70 1.39 -0.36 1.54 0.00 0.47 -0.81 121.76 123.29 1f1g s ALA 470 Ca -0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1f1g s ALA 470 Cb -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1f1g s ALA 470 CO 0.04 0.20 0.22 0.08 0.00 0.00 0.00 175.76 176.30 1f1g s VAL 471 N 0.29 4.87 -0.14 0.00 1.01 -1.26 -0.54 120.40 124.63 1f1g s VAL 471 Ca -0.08 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1f1g s VAL 471 Cb -0.13 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1f1g s VAL 471 CO 0.03 -0.13 0.88 -0.76 0.00 0.00 0.00 175.10 175.12 1f1g s LEU 472 N 1.63 4.21 0.07 3.92 1.43 0.48 -3.96 118.68 126.45 1f1g s LEU 472 Ca 0.04 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1f1g s LEU 472 Cb -0.18 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1f1g s LEU 472 CO 0.08 -0.40 -0.05 -0.54 0.23 0.00 0.00 176.35 175.67 1f1g s LYS 473 N 2.02 0.69 -0.01 1.70 1.02 -0.52 -1.23 119.74 123.42 1f1g s LYS 473 Ca 0.42 -1.22 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 1f1g s LYS 473 Cb -0.17 0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 1f1g s LYS 473 CO 0.15 -0.06 0.45 0.41 -0.92 0.00 0.00 175.35 175.37 1f1g n GLY 474 N 0.16 0.50 0.89 -3.33 0.00 -1.25 -1.86 105.19 100.31 1f1g n GLY 474 Ca -0.14 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.05 1f1g n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f1g n ASP 475 N -0.49 3.25 -1.03 1.61 8.00 -1.26 -4.56 116.55 122.07 1f1g n ASP 475 Ca 0.02 -1.97 0.08 0.00 0.71 0.00 0.00 54.79 53.63 1f1g n ASP 475 Cb 0.20 -0.30 0.25 0.00 -0.02 0.00 0.00 41.12 41.24 1f1g n ASP 475 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1g n ALA 476 N 0.95 2.42 -0.18 2.24 0.00 -1.26 -4.93 120.51 119.75 1f1g n ALA 476 Ca 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1f1g n ALA 476 Cb 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1f1g n ALA 476 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 477 N 0.92 0.99 3.78 0.00 0.00 -1.26 -5.03 105.19 104.58 1f1g n GLY 477 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1f1g n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 478 N -2.58 5.15 0.16 1.61 1.01 -1.26 -4.14 120.40 120.34 1f1g s VAL 478 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1f1g s VAL 478 Cb 0.00 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1f1g s VAL 478 CO 0.00 0.57 0.52 -0.94 0.00 0.00 0.00 175.10 175.25 1f1g s SER 479 N -0.58 -0.39 0.00 3.32 1.04 -0.79 -3.87 113.70 112.44 1f1g s SER 479 Ca 0.12 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1f1g s SER 479 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1f1g s SER 479 CO 0.02 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1f1g n GLY 480 N -0.32 -1.27 2.81 7.32 0.00 -0.36 -0.42 105.19 112.94 1f1g n GLY 480 Ca -0.15 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1f1g n GLY 480 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 481 N -2.89 -0.04 -0.13 1.61 1.01 0.08 -0.39 120.40 119.64 1f1g s VAL 481 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1f1g s VAL 481 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1f1g s VAL 481 CO 0.00 0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.31 1f1g s VAL 482 N 0.69 1.65 0.00 2.92 1.01 0.30 -1.59 120.40 125.38 1f1g s VAL 482 Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1f1g s VAL 482 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1f1g s VAL 482 CO -0.02 0.47 -0.01 -1.59 0.00 0.00 0.00 175.10 173.95 1f1g s LYS 483 N 1.20 2.74 -0.02 2.72 -2.85 0.76 -0.39 119.74 123.89 1f1g s LYS 483 Ca -0.01 -0.64 0.04 0.00 -1.00 0.00 0.00 55.97 54.36 1f1g s LYS 483 Cb -0.14 -2.64 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 1f1g s LYS 483 CO -0.06 0.62 -0.13 -0.06 0.10 0.00 0.00 175.35 175.81 1f1g s PHE 484 N -1.09 1.22 -0.04 1.78 0.40 -0.09 -0.74 117.98 119.42 1f1g s PHE 484 Ca 0.20 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1f1g s PHE 484 Cb -0.11 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1f1g s PHE 484 CO 0.10 -0.05 0.10 -2.00 0.70 0.00 0.00 175.22 174.08 1f1g s GLU 485 N -0.19 0.09 -0.08 0.44 2.12 -0.29 -1.04 118.70 119.75 1f1g s GLU 485 Ca 0.03 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.53 1f1g s GLU 485 Cb -0.06 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.33 1f1g s GLU 485 CO -0.00 -0.07 0.17 -1.14 -0.54 0.00 0.00 175.26 173.68 1f1g s GLN 486 N 0.47 0.12 0.01 4.30 0.74 -0.02 -0.26 119.66 125.01 1f1g s GLN 486 Ca -0.03 0.43 -0.18 0.00 0.05 0.00 0.00 55.36 55.63 1f1g s GLN 486 Cb -0.05 -0.17 -0.34 0.00 1.10 0.00 0.00 33.01 33.55 1f1g s GLN 486 CO -0.02 -0.18 0.97 0.00 -0.55 0.00 0.00 175.29 175.52 1f1g h ALA 487 N 7.34 -0.14 -2.81 1.58 0.00 -1.84 0.12 119.26 123.51 1f1g h ALA 487 Ca -0.40 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 53.66 1f1g h ALA 487 Cb 1.14 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1f1g h ALA 487 CO 0.38 0.60 -0.05 -1.54 0.00 0.00 0.00 179.25 178.64 1f1g s SER 488 N -7.41 -0.20 0.29 0.00 1.04 -1.26 -4.51 113.70 101.65 1f1g s SER 488 Ca -0.10 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1f1g s SER 488 Cb 0.03 0.54 0.56 0.00 0.10 0.00 0.00 66.02 67.25 1f1g s SER 488 CO 0.92 -0.99 1.85 -0.08 0.98 0.00 0.00 173.24 175.91 1f1g h GLU 489 N 2.29 0.96 -0.00 4.02 4.81 -1.91 -1.79 114.58 122.95 1f1g h GLU 489 Ca -0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1f1g h GLU 489 Cb 1.25 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1f1g h GLU 489 CO 0.41 0.64 -0.17 -1.13 -0.73 0.00 0.00 179.01 178.02 1f1g n SER 490 N -4.59 0.32 -4.92 1.04 3.41 -1.26 -4.89 113.62 102.73 1f1g n SER 490 Ca 0.18 -0.15 -0.26 0.00 -0.26 0.00 0.00 58.87 58.38 1f1g n SER 490 Cb 0.34 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1f1g n SER 490 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f1g s GLU 491 N -2.77 3.50 0.60 4.33 0.41 -0.67 -5.05 118.70 119.05 1f1g s GLU 491 Ca 0.20 -0.04 -0.19 0.00 -0.41 0.00 0.00 54.97 54.53 1f1g s GLU 491 Cb 0.19 -2.50 -0.03 0.00 -1.78 0.00 0.00 34.13 30.01 1f1g s GLU 491 CO 0.55 -0.07 1.21 -2.14 -0.49 0.00 0.00 175.26 174.32 1f1g s PRO 492 N -4.57 2.91 -0.09 0.39 0.02 -1.26 -4.82 135.00 127.58 1f1g s PRO 492 Ca 0.44 1.84 -0.18 0.00 0.02 0.00 0.00 61.00 63.12 1f1g s PRO 492 Cb -0.10 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1f1g s PRO 492 CO 0.41 -1.26 0.50 0.99 -0.33 0.00 0.00 177.00 177.31 1f1g s THR 493 N -1.60 5.13 -0.17 0.99 2.01 -0.09 -4.54 115.64 117.37 1f1g s THR 493 Ca 0.78 1.00 -0.20 0.00 0.31 0.00 0.00 61.69 63.58 1f1g s THR 493 Cb -0.31 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1f1g s THR 493 CO 0.34 0.36 0.58 -0.89 -0.69 0.00 0.00 174.62 174.32 1f1g s THR 494 N 0.36 5.08 -0.17 -0.82 2.01 0.64 -0.88 115.64 121.86 1f1g s THR 494 Ca 0.27 1.12 -0.03 0.00 0.31 0.00 0.00 61.69 63.35 1f1g s THR 494 Cb -0.16 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1f1g s THR 494 CO 0.12 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.49 1f1g s VAL 495 N 1.47 3.66 0.05 3.82 1.01 0.43 -1.14 120.40 129.70 1f1g s VAL 495 Ca 0.28 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1f1g s VAL 495 Cb -0.16 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1f1g s VAL 495 CO 0.11 0.48 -0.09 -0.94 0.00 0.00 0.00 175.10 174.65 1f1g s SER 496 N 0.64 1.05 0.03 3.32 1.04 0.08 -1.01 113.70 118.85 1f1g s SER 496 Ca -0.03 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 1f1g s SER 496 Cb -0.15 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 1f1g s SER 496 CO 0.02 -0.16 0.15 -0.72 0.98 0.00 0.00 173.24 173.51 1f1g s TYR 497 N -1.31 0.09 -0.07 5.02 -0.85 -0.14 -0.17 117.35 119.92 1f1g s TYR 497 Ca -0.08 -0.29 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 1f1g s TYR 497 Cb -0.10 -0.07 0.03 0.00 0.38 0.00 0.00 41.96 42.20 1f1g s TYR 497 CO 0.01 -0.36 -0.01 -1.21 -1.52 0.00 0.00 175.55 172.46 1f1g s GLU 498 N -2.18 0.68 -0.05 -3.49 2.02 -0.62 -1.75 118.70 113.32 1f1g s GLU 498 Ca -0.08 0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1f1g s GLU 498 Cb -0.03 -1.02 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1f1g s GLU 498 CO -0.02 -0.30 -0.03 0.42 0.02 0.00 0.00 175.26 175.35 1f1g s ILE 499 N 1.94 0.43 0.25 -1.63 1.01 0.72 -0.75 121.20 123.17 1f1g s ILE 499 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.75 1f1g s ILE 499 Cb -0.12 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1f1g s ILE 499 CO -0.05 0.22 0.08 0.00 0.00 0.00 0.00 174.94 175.18 1f1g s ALA 500 N 1.14 3.34 0.00 9.38 0.00 0.44 -0.51 121.76 135.55 1f1g s ALA 500 Ca -0.08 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1f1g s ALA 500 Cb -0.14 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1f1g s ALA 500 CO -0.01 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1f1g n GLY 501 N -0.96 0.74 3.79 0.00 0.00 -1.16 -1.88 105.19 105.72 1f1g n GLY 501 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1f1g n GLY 501 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 502 N -2.42 3.93 0.45 1.61 0.01 -0.84 -4.41 114.94 113.27 1f1g s ASN 502 Ca 0.00 1.14 -0.24 0.00 -0.71 0.00 0.00 52.86 53.04 1f1g s ASN 502 Cb 0.00 -1.79 -0.09 0.00 0.41 0.00 0.00 41.25 39.78 1f1g s ASN 502 CO 0.00 -2.30 1.25 -1.20 -1.51 0.00 0.00 177.10 173.34 1f1g n SER 503 N -3.63 2.41 -4.84 -1.22 7.64 -1.26 -4.31 113.62 108.41 1f1g n SER 503 Ca 0.07 1.07 -0.32 0.00 1.01 0.00 0.00 58.87 60.70 1f1g n SER 503 Cb 0.58 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 1f1g n SER 503 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f1g s PRO 504 N -2.33 3.67 -1.35 1.43 0.04 -1.26 -4.24 135.00 130.96 1f1g s PRO 504 Ca 0.63 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1f1g s PRO 504 Cb -0.49 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1f1g s PRO 504 CO 0.56 -0.51 0.71 0.09 0.04 0.00 0.00 177.00 177.89 1f1g n ASN 505 N -2.06 -1.57 -2.72 6.66 3.02 -0.21 -4.94 115.26 113.43 1f1g n ASN 505 Ca 0.07 -0.84 -0.15 0.00 -0.03 0.00 0.00 54.58 53.64 1f1g n ASN 505 Cb 0.54 -3.92 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 1f1g n ASN 505 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 506 N -4.35 0.49 -3.46 5.41 0.00 -1.13 -4.93 120.51 112.55 1f1g n ALA 506 Ca -0.25 -1.41 -0.25 0.00 0.00 0.00 0.00 53.44 51.53 1f1g n ALA 506 Cb 0.66 1.09 -0.17 0.00 0.00 0.00 0.00 19.45 21.03 1f1g n ALA 506 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f1g s GLU 507 N -3.00 1.72 -0.05 0.00 0.41 -1.26 -0.42 118.70 116.10 1f1g s GLU 507 Ca 0.25 -0.42 0.03 0.00 -0.41 0.00 0.00 54.97 54.43 1f1g s GLU 507 Cb 0.01 -1.42 0.00 0.00 -1.78 0.00 0.00 34.13 30.95 1f1g s GLU 507 CO 0.18 0.03 -0.14 1.03 -0.49 0.00 0.00 175.26 175.86 1f1g s ARG 508 N 0.66 1.66 0.54 1.61 1.81 -0.20 -3.33 118.95 121.70 1f1g s ARG 508 Ca -0.15 -0.50 -0.21 0.00 -1.72 0.00 0.00 55.73 53.15 1f1g s ARG 508 Cb -0.16 -1.42 -0.05 0.00 -0.45 0.00 0.00 34.95 32.87 1f1g s ARG 508 CO 0.04 0.14 1.29 0.20 -0.68 0.00 0.00 175.30 176.29 1f1g s GLY 509 N 0.30 2.84 -0.20 -3.53 0.00 0.08 -0.78 107.32 106.03 1f1g s GLY 509 Ca -0.08 1.19 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 1f1g s GLY 509 CO 0.03 1.67 0.27 -0.12 0.00 0.00 0.00 173.10 174.95 1f1g s PHE 510 N -1.40 -0.45 0.06 1.90 5.36 -0.16 -0.89 117.98 122.39 1f1g s PHE 510 Ca 0.71 0.51 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 1f1g s PHE 510 Cb -0.36 -0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1f1g s PHE 510 CO 0.42 -0.60 0.08 -1.01 -1.46 0.00 0.00 175.22 172.65 1f1g s HIS 511 N 2.40 0.31 -0.20 10.12 3.76 -0.88 -1.55 115.29 129.25 1f1g s HIS 511 Ca 0.08 -0.76 -0.23 0.00 -0.15 0.00 0.00 55.06 53.99 1f1g s HIS 511 Cb -0.15 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.31 1f1g s HIS 511 CO -0.13 -0.44 0.74 0.42 -0.85 0.00 0.00 174.74 174.48 1f1g s ILE 512 N -3.60 4.93 0.31 0.60 1.01 0.30 -1.07 121.20 123.69 1f1g s ILE 512 Ca 0.04 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.14 1f1g s ILE 512 Cb 0.05 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1f1g s ILE 512 CO -0.09 0.04 0.45 -1.00 0.00 0.00 0.00 174.94 174.34 1f1g s HIS 513 N 2.23 3.27 0.21 3.97 3.76 0.64 -1.20 115.29 128.17 1f1g s HIS 513 Ca 0.33 -0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 55.08 1f1g s HIS 513 Cb -0.16 -1.86 0.17 0.00 1.11 0.00 0.00 32.58 31.84 1f1g s HIS 513 CO 0.10 0.13 1.81 1.49 -0.85 0.00 0.00 174.74 177.43 1f1g h GLU 514 N 0.94 1.15 -6.39 1.40 4.81 -0.63 -2.88 114.58 112.98 1f1g h GLU 514 Ca -0.48 -0.16 -0.69 0.00 -0.13 0.00 0.00 59.36 57.90 1f1g h GLU 514 Cb 1.24 -0.21 -0.23 0.00 0.63 0.00 0.00 28.75 30.19 1f1g h GLU 514 CO 0.57 0.88 -0.78 -0.06 -0.73 0.00 0.00 179.01 178.89 1f1g s PHE 515 N -5.74 2.67 -0.42 0.92 0.08 -0.36 -4.67 117.98 110.47 1f1g s PHE 515 Ca -0.13 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 1f1g s PHE 515 Cb 0.16 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1f1g s PHE 515 CO 0.82 0.21 2.76 0.41 -0.10 0.00 0.00 175.22 179.32 1f1g n GLY 516 N 2.06 4.27 3.17 4.36 0.00 -0.86 -3.52 105.19 114.68 1f1g n GLY 516 Ca -0.17 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1f1g n GLY 516 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1g s ASP 517 N 0.41 4.77 -0.21 1.61 -1.08 -1.26 -4.93 116.67 115.98 1f1g s ASP 517 Ca 0.57 -1.20 0.15 0.00 -0.52 0.00 0.00 52.55 51.55 1f1g s ASP 517 Cb 0.37 -1.70 0.73 0.00 -1.46 0.00 0.00 42.92 40.87 1f1g s ASP 517 CO -0.20 -0.23 1.65 0.00 0.52 0.00 0.00 175.17 176.91 1f1g n ALA 518 N 4.62 3.55 0.47 3.66 0.00 -1.26 -3.06 120.51 128.50 1f1g n ALA 518 Ca -0.14 -1.98 0.13 0.00 0.00 0.00 0.00 53.44 51.45 1f1g n ALA 518 Cb 0.44 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 19.35 1f1g n ALA 518 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f1g h THR 519 N 3.43 0.00 -2.18 0.00 1.35 -1.93 -3.35 112.91 110.23 1f1g h THR 519 Ca 0.00 -0.40 -0.58 0.00 -0.55 0.00 0.00 66.41 64.89 1f1g h THR 519 Cb 1.78 1.27 -0.39 0.00 -1.73 0.00 0.00 68.15 69.08 1f1g h THR 519 CO 0.39 0.00 -1.03 -3.20 -0.25 0.00 0.00 175.52 171.43 1f1g n ASN 520 N -2.36 0.05 0.00 5.36 5.15 -1.26 -5.05 115.26 117.15 1f1g n ASN 520 Ca 0.03 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1f1g n ASN 520 Cb 0.33 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1f1g n ASN 520 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f1g n GLY 521 N 2.01 3.22 0.91 8.20 0.00 -1.26 -1.01 105.19 117.27 1f1g n GLY 521 Ca 0.25 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1f1g n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g h VAL 523 N 4.47 1.28 0.00 0.00 2.07 -1.42 -3.18 116.25 119.47 1f1g h VAL 523 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1f1g h VAL 523 Cb 0.96 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1f1g h VAL 523 CO 0.00 0.43 0.00 -1.54 0.02 0.00 0.00 177.57 176.48 1f1g n SER 524 N -4.28 0.00 0.18 0.57 3.41 -1.09 -1.55 113.62 110.85 1f1g n SER 524 Ca -0.02 -0.31 0.13 0.00 -0.26 0.00 0.00 58.87 58.42 1f1g n SER 524 Cb 0.41 -0.20 0.59 0.00 -0.26 0.00 0.00 64.21 64.75 1f1g n SER 524 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1g h ALA 525 N 3.38 1.00 -0.01 7.33 0.00 -1.52 -3.38 119.26 126.06 1f1g h ALA 525 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f1g h ALA 525 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f1g h ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1f1g n GLY 526 N -0.34 -1.81 3.95 0.00 0.00 -0.60 -1.22 105.19 105.17 1f1g n GLY 526 Ca 0.01 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1f1g n GLY 526 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f1g s PRO 527 N 0.00 0.76 0.36 1.61 0.04 -1.26 -4.64 135.00 131.87 1f1g s PRO 527 Ca 0.00 -0.60 -0.28 0.00 0.04 0.00 0.00 61.00 60.16 1f1g s PRO 527 Cb 0.00 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1f1g s PRO 527 CO 0.00 -2.28 1.44 0.72 0.04 0.00 0.00 177.00 176.93 1f1g n HIS 528 N -3.61 2.77 -1.75 0.56 8.25 -1.26 -0.51 115.22 119.68 1f1g n HIS 528 Ca 0.16 0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 57.66 1f1g n HIS 528 Cb 0.60 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 1f1g n HIS 528 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f1g s PHE 529 N -1.00 1.43 -0.41 4.41 5.36 -0.34 -4.51 117.98 122.92 1f1g s PHE 529 Ca 0.55 -0.15 0.10 0.00 -0.96 0.00 0.00 56.93 56.46 1f1g s PHE 529 Cb -0.51 -4.13 0.33 0.00 -0.34 0.00 0.00 43.02 38.37 1f1g s PHE 529 CO 0.62 -4.92 0.84 -1.71 -1.46 0.00 0.00 175.22 168.59 1f1g n ASN 530 N 8.13 -0.40 0.26 6.13 5.15 -1.26 -1.40 115.26 131.87 1f1g n ASN 530 Ca 0.21 -3.22 0.11 0.00 -0.60 0.00 0.00 54.58 51.08 1f1g n ASN 530 Cb 0.42 0.30 0.69 0.00 -0.53 0.00 0.00 39.78 40.66 1f1g n ASN 530 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f1g h PRO 531 N 3.13 0.00 -0.31 1.20 0.13 -1.98 -2.33 132.00 131.83 1f1g h PRO 531 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1f1g h PRO 531 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1f1g h PRO 531 CO 0.37 0.12 0.00 1.19 -0.23 0.00 0.00 178.00 179.45 1f1g n PHE 532 N -3.85 0.40 -3.49 1.56 3.72 -1.26 -4.95 117.46 109.59 1f1g n PHE 532 Ca -0.02 -0.20 -0.19 0.00 -0.05 0.00 0.00 57.45 56.99 1f1g n PHE 532 Cb 0.22 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.84 1f1g n PHE 532 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f1g n LYS 533 N 0.90 -6.65 -3.17 -1.08 5.02 -0.88 -5.01 118.16 107.30 1f1g n LYS 533 Ca 0.17 0.82 -0.18 0.00 -2.02 0.00 0.00 58.31 57.10 1f1g n LYS 533 Cb 0.46 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 1f1g n LYS 533 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f1g s LYS 534 N -5.59 2.81 0.56 1.97 -0.14 -1.26 -5.12 119.74 112.97 1f1g s LYS 534 Ca 0.10 -1.27 -0.08 0.00 -1.36 0.00 0.00 55.97 53.37 1f1g s LYS 534 Cb -0.05 -2.70 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1f1g s LYS 534 CO 0.74 -0.21 0.91 0.95 -0.76 0.00 0.00 175.35 176.98 1f1g s THR 535 N -2.35 4.53 0.26 2.17 -4.23 -1.26 -4.70 115.64 110.06 1f1g s THR 535 Ca 0.52 0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 61.16 1f1g s THR 535 Cb -0.09 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 69.88 1f1g s THR 535 CO 0.32 -0.88 1.45 -2.28 -0.54 0.00 0.00 174.62 172.69 1f1g s HIS 536 N -2.98 2.98 0.00 3.99 2.46 0.05 -2.83 115.29 118.96 1f1g s HIS 536 Ca 0.52 1.02 0.00 0.00 0.47 0.00 0.00 55.06 57.07 1f1g s HIS 536 Cb -0.11 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 1f1g s HIS 536 CO 0.49 -2.73 0.00 0.41 -2.47 0.00 0.00 174.74 170.43 1f1g n GLY 537 N 2.11 3.21 3.84 1.59 0.00 -1.26 -4.06 105.19 110.63 1f1g n GLY 537 Ca 0.07 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1f1g n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1g s ALA 538 N -1.50 3.11 0.39 4.61 0.00 -1.22 -4.74 121.76 122.41 1f1g s ALA 538 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 51.96 52.25 1f1g s ALA 538 Cb 0.00 -3.06 0.97 0.00 0.00 0.00 0.00 23.12 21.03 1f1g s ALA 538 CO 0.00 -0.15 1.86 -1.35 0.00 0.00 0.00 175.76 176.12 1f1g h PRO 539 N 1.11 0.51 -0.08 0.00 0.11 -1.90 -1.27 132.00 130.48 1f1g h PRO 539 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1f1g h PRO 539 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f1g h PRO 539 CO 0.62 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 179.00 1f1g n THR 540 N -4.55 0.09 -2.74 -1.15 -2.24 -1.26 -4.82 114.28 97.61 1f1g n THR 540 Ca 0.19 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1f1g n THR 540 Cb 0.60 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 1f1g n THR 540 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f1g s ASP 541 N -1.76 7.58 0.29 3.42 1.01 -0.48 -4.96 116.67 121.76 1f1g s ASP 541 Ca 0.35 1.95 0.10 0.00 0.71 0.00 0.00 52.55 55.66 1f1g s ASP 541 Cb 0.19 -2.61 0.41 0.00 1.01 0.00 0.00 42.92 41.92 1f1g s ASP 541 CO 0.29 0.11 1.65 -0.08 0.21 0.00 0.00 175.17 177.35 1f1g h GLU 542 N 3.97 0.03 -4.64 8.23 4.81 -1.87 -3.38 114.58 121.73 1f1g h GLU 542 Ca -0.45 -0.02 -0.71 0.00 -0.13 0.00 0.00 59.36 58.05 1f1g h GLU 542 Cb 1.20 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.38 1f1g h GLU 542 CO 0.67 0.59 -0.15 0.08 -0.73 0.00 0.00 179.01 179.47 1f1g s VAL 543 N -3.74 5.06 0.19 0.32 1.01 -1.26 -4.98 120.40 116.99 1f1g s VAL 543 Ca -0.02 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 1f1g s VAL 543 Cb 0.13 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.37 1f1g s VAL 543 CO 0.76 -0.67 0.65 0.00 0.00 0.00 0.00 175.10 175.83 1f1g s ARG 544 N 2.12 1.40 0.45 2.72 1.70 -1.22 -4.21 118.95 121.92 1f1g s ARG 544 Ca 0.10 -0.60 -0.23 0.00 -0.47 0.00 0.00 55.73 54.52 1f1g s ARG 544 Cb -0.22 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1f1g s ARG 544 CO 0.09 -0.62 1.14 -1.01 -1.08 0.00 0.00 175.30 173.83 1f1g s HIS 545 N -3.77 2.96 0.31 5.89 3.76 -1.13 -4.72 115.29 118.59 1f1g s HIS 545 Ca 0.04 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.59 1f1g s HIS 545 Cb -0.02 -3.33 0.86 0.00 1.11 0.00 0.00 32.58 31.19 1f1g s HIS 545 CO -0.07 -1.33 1.72 0.28 -0.85 0.00 0.00 174.74 174.48 1f1g h VAL 546 N 1.96 0.51 -0.00 -0.90 2.07 -1.88 -2.04 116.25 115.96 1f1g h VAL 546 Ca -0.49 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1f1g h VAL 546 Cb 1.24 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1f1g h VAL 546 CO 0.61 0.10 -0.00 0.61 0.02 0.00 0.00 177.57 178.90 1f1g n GLY 547 N -1.32 -0.95 3.61 2.17 0.00 -0.49 -4.43 105.19 103.79 1f1g n GLY 547 Ca 0.26 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1f1g n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1g s ASP 548 N -2.06 6.46 -0.12 1.61 1.01 -0.77 -0.54 116.67 122.27 1f1g s ASP 548 Ca 0.45 0.99 0.15 0.00 0.71 0.00 0.00 52.55 54.85 1f1g s ASP 548 Cb 0.22 -2.54 0.38 0.00 1.01 0.00 0.00 42.92 41.99 1f1g s ASP 548 CO 0.38 -1.30 1.29 0.23 0.21 0.00 0.00 175.17 175.97 1f1g n MET 549 N 7.79 2.49 0.00 8.23 2.81 -0.60 -4.30 117.12 133.54 1f1g n MET 549 Ca 0.16 -2.53 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 1f1g n MET 549 Cb 0.47 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1f1g n MET 549 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1g n GLY 550 N -0.60 1.01 3.72 3.03 0.00 -1.19 -4.72 105.19 106.44 1f1g n GLY 550 Ca 0.16 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1f1g n GLY 550 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1g s ASN 551 N -4.00 5.30 -0.01 1.61 0.01 -1.26 -0.99 114.94 115.60 1f1g s ASN 551 Ca 0.00 0.01 -0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1f1g s ASN 551 Cb 0.00 -1.41 -0.04 0.00 0.41 0.00 0.00 41.25 40.21 1f1g s ASN 551 CO 0.00 0.25 0.07 0.68 -1.51 0.00 0.00 177.10 176.59 1f1g s VAL 552 N -1.18 4.65 0.08 1.60 -7.23 0.04 -4.83 120.40 113.53 1f1g s VAL 552 Ca 0.22 -0.40 -0.22 0.00 -1.81 0.00 0.00 61.98 59.77 1f1g s VAL 552 Cb -0.12 -3.11 -0.07 0.00 0.56 0.00 0.00 36.38 33.65 1f1g s VAL 552 CO 0.14 0.38 0.65 -0.54 -0.31 0.00 0.00 175.10 175.41 1f1g s LYS 553 N -1.64 4.35 0.05 4.82 1.02 -1.26 -1.04 119.74 126.04 1f1g s LYS 553 Ca 0.22 0.88 0.05 0.00 0.02 0.00 0.00 55.97 57.13 1f1g s LYS 553 Cb -0.12 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1f1g s LYS 553 CO 0.12 0.55 -0.07 0.95 -0.92 0.00 0.00 175.35 175.98 1f1g s THR 554 N -0.88 3.59 0.07 2.17 -4.23 0.44 -4.27 115.64 112.52 1f1g s THR 554 Ca 0.32 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1f1g s THR 554 Cb -0.20 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1f1g s THR 554 CO 0.21 0.27 0.10 -0.90 -0.54 0.00 0.00 174.62 173.76 1f1g n ASP 555 N 1.17 0.10 0.18 3.99 5.68 -0.06 -2.39 116.55 125.22 1f1g n ASP 555 Ca -0.14 -1.09 0.14 0.00 -0.50 0.00 0.00 54.79 53.19 1f1g n ASP 555 Cb 0.52 -0.06 0.60 0.00 -1.14 0.00 0.00 41.12 41.04 1f1g n ASP 555 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1f1g h GLU 556 N 0.00 0.00 -0.43 0.11 9.09 -1.93 -0.27 114.58 121.15 1f1g h GLU 556 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1f1g h GLU 556 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1f1g h GLU 556 CO 0.03 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.18 1f1g n ASN 557 N -2.47 3.50 0.00 3.06 5.03 -1.26 -4.77 115.26 118.34 1f1g n ASN 557 Ca 0.01 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1f1g n ASN 557 Cb 0.20 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 1f1g n ASN 557 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f1g n GLY 558 N 1.46 0.57 3.77 7.41 0.00 -0.61 -4.64 105.19 113.15 1f1g n GLY 558 Ca 0.20 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1f1g n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1g s VAL 559 N -2.00 5.35 -0.18 1.61 1.01 -1.26 -1.99 120.40 122.94 1f1g s VAL 559 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1f1g s VAL 559 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1f1g s VAL 559 CO 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1f1g s ALA 560 N 0.02 2.89 -0.08 5.51 0.00 0.33 -0.88 121.76 129.55 1f1g s ALA 560 Ca 0.14 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1f1g s ALA 560 Cb -0.13 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1f1g s ALA 560 CO 0.03 -0.01 0.17 0.21 0.00 0.00 0.00 175.76 176.16 1f1g s LYS 561 N 0.76 0.12 0.00 0.00 2.20 -1.26 -0.20 119.74 121.36 1f1g s LYS 561 Ca -0.02 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1f1g s LYS 561 Cb -0.15 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1f1g s LYS 561 CO 0.02 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1f1g n GLY 562 N 4.24 -1.22 3.40 5.54 0.00 -0.72 -5.00 105.19 111.44 1f1g n GLY 562 Ca -0.26 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1f1g n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1g s SER 563 N -2.19 -0.46 0.18 1.61 1.04 -1.26 -0.96 113.70 111.66 1f1g s SER 563 Ca 0.00 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.47 1f1g s SER 563 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1f1g s SER 563 CO 0.00 -0.69 0.58 0.72 0.98 0.00 0.00 173.24 174.83 1f1g s PHE 564 N -2.21 -0.39 -0.00 5.02 -0.12 -0.18 -4.99 117.98 115.11 1f1g s PHE 564 Ca -0.07 0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1f1g s PHE 564 Cb -0.01 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1f1g s PHE 564 CO 0.00 -0.90 0.08 0.15 -0.05 0.00 0.00 175.22 174.50 1f1g s LYS 565 N -3.80 3.05 -0.06 1.99 1.02 -1.26 -0.43 119.74 120.25 1f1g s LYS 565 Ca 0.04 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 1f1g s LYS 565 Cb -0.01 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1f1g s LYS 565 CO -0.09 0.65 0.14 0.34 -0.92 0.00 0.00 175.35 175.48 1f1g s ASP 566 N -1.72 -0.14 0.00 2.83 2.15 -0.06 -4.96 116.67 114.77 1f1g s ASP 566 Ca 0.23 0.29 0.22 0.00 0.43 0.00 0.00 52.55 53.72 1f1g s ASP 566 Cb -0.12 0.26 0.06 0.00 -0.30 0.00 0.00 42.92 42.82 1f1g s ASP 566 CO 0.14 -0.08 1.11 -1.20 -0.17 0.00 0.00 175.17 174.96 1f1g n SER 567 N 3.40 2.31 -0.06 -0.34 7.64 -1.26 -0.92 113.62 124.39 1f1g n SER 567 Ca -0.17 -1.65 -0.11 0.00 1.01 0.00 0.00 58.87 57.94 1f1g n SER 567 Cb 0.57 0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 63.92 1f1g n SER 567 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f1g n LEU 568 N 0.45 0.85 -4.69 -3.43 4.77 -1.26 -4.89 117.00 108.81 1f1g n LEU 568 Ca 0.10 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 1f1g n LEU 568 Cb 0.49 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1f1g n LEU 568 CO 0.22 0.53 0.97 -0.63 -1.33 0.00 0.00 177.39 177.15 1f1g s ILE 569 N -2.54 4.06 0.06 -0.08 1.01 -1.26 -4.99 121.20 117.46 1f1g s ILE 569 Ca -0.11 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.00 1f1g s ILE 569 Cb 0.07 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1f1g s ILE 569 CO 0.80 0.03 -0.09 -0.54 0.00 0.00 0.00 174.94 175.14 1f1g s LYS 570 N 1.93 0.64 0.00 2.79 1.02 -1.26 -3.99 119.74 120.86 1f1g s LYS 570 Ca 0.58 -0.86 0.17 0.00 0.02 0.00 0.00 55.97 55.88 1f1g s LYS 570 Cb -0.28 -0.43 0.29 0.00 -0.52 0.00 0.00 37.83 36.90 1f1g s LYS 570 CO 0.25 0.08 1.21 1.28 -0.92 0.00 0.00 175.35 177.25 1f1g n LEU 571 N 1.27 2.91 -3.84 3.17 4.77 -1.26 -0.86 117.00 123.16 1f1g n LEU 571 Ca -0.21 -1.45 -0.15 0.00 -0.03 0.00 0.00 56.01 54.17 1f1g n LEU 571 Cb 0.55 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1f1g n LEU 571 CO 0.22 0.63 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.91 1f1g s ILE 572 N -1.25 0.09 0.00 -0.08 1.01 -1.26 -4.78 121.20 114.92 1f1g s ILE 572 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1f1g s ILE 572 Cb 0.17 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.49 1f1g s ILE 572 CO 0.23 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1f1g n GLY 573 N 3.63 -2.66 0.15 6.18 0.00 -1.26 -4.30 105.19 106.93 1f1g n GLY 573 Ca -0.20 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.01 1f1g n GLY 573 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f1g h PRO 574 N 0.00 0.00 -0.63 1.61 0.13 -2.00 -1.25 132.00 129.86 1f1g h PRO 574 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1f1g h PRO 574 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1f1g h PRO 574 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1f1g n THR 575 N -2.36 2.19 -1.65 1.56 -2.24 -1.26 -5.02 114.28 105.49 1f1g n THR 575 Ca 0.02 -1.28 -0.44 0.00 -2.27 0.00 0.00 64.05 60.08 1f1g n THR 575 Cb 0.26 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1f1g n THR 575 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f1g n SER 576 N 0.96 2.25 -0.54 3.42 2.88 -0.47 -4.53 113.62 117.59 1f1g n SER 576 Ca 0.27 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 59.11 1f1g n SER 576 Cb 1.01 -1.40 0.44 0.00 -0.75 0.00 0.00 64.21 63.51 1f1g n SER 576 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f1g n VAL 577 N 0.67 0.11 -1.76 2.46 0.24 -0.04 -4.88 118.33 115.13 1f1g n VAL 577 Ca 0.08 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1f1g n VAL 577 Cb 0.33 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 1f1g n VAL 577 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1g s VAL 578 N -1.89 2.19 0.00 3.34 1.01 -1.26 -1.40 120.40 122.39 1f1g s VAL 578 Ca 0.35 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1f1g s VAL 578 Cb 0.19 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1f1g s VAL 578 CO 0.30 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1f1g n GLY 579 N 3.98 0.76 0.00 4.51 0.00 0.80 -5.01 105.19 110.22 1f1g n GLY 579 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1f1g n GLY 579 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1g n ARG 580 N -2.05 2.52 -4.26 1.61 1.74 -0.49 -2.02 116.66 113.71 1f1g n ARG 580 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1f1g n ARG 580 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1f1g n ARG 580 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f1g s SER 581 N -0.97 2.11 -0.12 0.55 0.01 -1.09 -0.58 113.70 113.61 1f1g s SER 581 Ca 0.00 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1f1g s SER 581 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 1f1g s SER 581 CO 0.00 -0.12 0.06 -0.69 0.41 0.00 0.00 173.24 172.90 1f1g s VAL 582 N -2.09 4.80 -0.05 3.43 1.01 -0.03 -0.26 120.40 127.21 1f1g s VAL 582 Ca 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1f1g s VAL 582 Cb -0.05 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1f1g s VAL 582 CO 0.04 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1f1g s VAL 583 N -0.59 1.68 -0.14 2.92 1.01 -0.23 -1.54 120.40 123.51 1f1g s VAL 583 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1f1g s VAL 583 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1f1g s VAL 583 CO 0.02 0.48 0.02 -0.51 0.00 0.00 0.00 175.10 175.10 1f1g s ILE 584 N -0.06 4.41 0.30 2.22 1.10 -0.71 -2.07 121.20 126.39 1f1g s ILE 584 Ca -0.03 -0.19 0.06 0.00 -0.51 0.00 0.00 60.65 59.98 1f1g s ILE 584 Cb -0.12 -2.92 -0.02 0.00 0.15 0.00 0.00 42.46 39.55 1f1g s ILE 584 CO 0.03 0.53 0.43 -1.00 -2.11 0.00 0.00 174.94 172.82 1f1g s HIS 585 N -0.16 3.24 -0.75 3.50 3.76 -0.07 -3.25 115.29 121.56 1f1g s HIS 585 Ca 0.05 -0.14 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 1f1g s HIS 585 Cb -0.12 -1.85 0.53 0.00 1.11 0.00 0.00 32.58 32.25 1f1g s HIS 585 CO 0.02 0.14 1.47 0.00 -0.85 0.00 0.00 174.74 175.52 1f1g n ALA 586 N -1.57 2.87 -2.65 -1.40 0.00 0.05 -4.40 120.51 113.41 1f1g n ALA 586 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1f1g n ALA 586 Cb 0.58 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 1f1g n ALA 586 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f1g s GLY 587 N -3.47 2.66 0.22 0.00 0.00 -0.23 -4.95 107.32 101.56 1f1g s GLY 587 Ca 0.08 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 1f1g s GLY 587 CO 0.68 -2.09 0.97 1.62 0.00 0.00 0.00 173.10 174.28 1f1g s GLN 588 N -3.79 4.79 -0.10 2.90 0.74 -1.21 -0.74 119.66 122.25 1f1g s GLN 588 Ca 0.24 1.54 -0.28 0.00 0.05 0.00 0.00 55.36 56.90 1f1g s GLN 588 Cb 0.06 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.87 1f1g s GLN 588 CO 0.12 0.41 0.94 0.34 -0.55 0.00 0.00 175.29 176.55 1f1g s ASP 589 N -0.89 7.18 0.00 6.67 -1.08 -1.26 -3.92 116.67 123.37 1f1g s ASP 589 Ca 0.43 1.44 0.16 0.00 -0.52 0.00 0.00 52.55 54.06 1f1g s ASP 589 Cb -0.27 -2.52 0.67 0.00 -1.46 0.00 0.00 42.92 39.34 1f1g s ASP 589 CO 0.33 -0.38 1.47 -0.90 0.52 0.00 0.00 175.17 176.21 1f1g n ASP 590 N 4.80 1.08 -1.20 -0.34 5.68 0.65 -4.85 116.55 122.36 1f1g n ASP 590 Ca 0.07 -1.72 -0.15 0.00 -0.50 0.00 0.00 54.79 52.49 1f1g n ASP 590 Cb 0.49 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.33 1f1g n ASP 590 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1g n LEU 591 N -0.02 -1.16 0.00 -2.12 4.77 -1.26 -1.70 117.00 115.51 1f1g n LEU 591 Ca 0.13 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1f1g n LEU 591 Cb 0.22 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.14 1f1g n LEU 591 CO 0.10 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1f1g n GLY 592 N -1.16 0.66 1.28 -0.72 0.00 -1.25 -3.44 105.19 100.56 1f1g n GLY 592 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1f1g n GLY 592 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f1g n LYS 593 N -2.65 2.73 -1.88 1.61 4.01 -0.69 -4.65 118.16 116.63 1f1g n LYS 593 Ca 0.00 -2.59 -0.23 0.00 -0.51 0.00 0.00 58.31 54.98 1f1g n LYS 593 Cb 0.00 -1.54 0.14 0.00 -0.51 0.00 0.00 35.03 33.12 1f1g n LYS 593 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1f1g n GLY 594 N 1.54 -0.57 0.04 0.72 0.00 -1.26 -4.97 105.19 100.69 1f1g n GLY 594 Ca 0.23 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.57 1f1g n GLY 594 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f1g n ASP 595 N -3.39 0.12 -4.78 1.61 5.75 -1.26 -4.88 116.55 109.72 1f1g n ASP 595 Ca 0.14 -0.72 -0.32 0.00 -0.01 0.00 0.00 54.79 53.88 1f1g n ASP 595 Cb 0.49 -0.10 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 1f1g n ASP 595 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1f1g s THR 596 N -2.22 4.66 0.40 2.12 -4.23 -1.26 -4.96 115.64 110.14 1f1g s THR 596 Ca 0.40 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1f1g s THR 596 Cb 0.21 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1f1g s THR 596 CO 0.41 0.27 2.01 -0.33 -0.54 0.00 0.00 174.62 176.43 1f1g h GLU 597 N 3.79 0.59 -0.80 3.99 5.08 -2.00 -1.29 114.58 123.93 1f1g h GLU 597 Ca -0.48 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1f1g h GLU 597 Cb 1.17 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1f1g h GLU 597 CO 0.64 0.39 0.53 1.49 -1.00 0.00 0.00 179.01 181.06 1f1g h GLU 598 N 0.61 0.93 -0.91 2.33 4.57 -1.98 -1.77 114.58 118.36 1f1g h GLU 598 Ca 0.24 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1f1g h GLU 598 Cb 0.18 -0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 1f1g h GLU 598 CO -0.07 0.62 0.59 1.03 -1.18 0.00 0.00 179.01 180.00 1f1g h SER 599 N 0.96 0.86 0.61 1.04 0.87 -1.57 0.28 113.55 116.60 1f1g h SER 599 Ca 0.33 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1f1g h SER 599 Cb 0.09 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1f1g h SER 599 CO -0.10 0.53 0.00 0.18 -0.53 0.00 0.00 176.83 176.91 1f1g n LEU 600 N -4.51 0.00 -0.11 2.23 4.77 -0.69 -1.47 117.00 117.21 1f1g n LEU 600 Ca 0.15 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 56.24 1f1g n LEU 600 Cb 0.26 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1f1g n LEU 600 CO 0.32 -0.04 -1.28 0.29 -1.33 0.00 0.00 177.39 175.35 1f1g n LYS 601 N -1.35 0.49 0.00 3.23 4.01 -0.24 -0.77 118.16 123.54 1f1g n LYS 601 Ca 0.11 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1f1g n LYS 601 Cb 0.24 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1f1g n LYS 601 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1f1g n THR 602 N -3.91 0.00 -1.04 -0.18 -2.24 -0.08 -4.70 114.28 102.12 1f1g n THR 602 Ca -0.44 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 60.94 1f1g n THR 602 Cb 0.83 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 70.19 1f1g n THR 602 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1g n GLY 603 N 0.34 0.33 2.73 3.38 0.00 -0.54 -3.04 105.19 108.39 1f1g n GLY 603 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1f1g n GLY 603 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1g n ASN 604 N -0.54 -6.02 0.00 1.61 3.02 -1.26 -0.25 115.26 111.81 1f1g n ASN 604 Ca -0.01 -0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.52 1f1g n ASN 604 Cb 0.32 -4.94 0.73 0.00 -0.61 0.00 0.00 39.78 35.28 1f1g n ASN 604 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1g n ALA 605 N -2.83 2.44 -0.09 5.41 0.00 -1.17 -4.66 120.51 119.60 1f1g n ALA 605 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1f1g n ALA 605 Cb 0.65 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f1g n ALA 605 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1g n GLY 606 N 1.24 -1.15 3.50 0.00 0.00 -1.26 -1.06 105.19 106.45 1f1g n GLY 606 Ca 0.13 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 1f1g n GLY 606 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f1g n PRO 607 N 0.00 -1.13 -3.54 1.61 -0.02 -1.26 -4.67 135.00 125.99 1f1g n PRO 607 Ca 0.00 -0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 60.87 1f1g n PRO 607 Cb 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1f1g n PRO 607 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1f1g n ARG 608 N -3.53 2.70 0.25 -0.52 1.74 -1.26 -0.77 116.66 115.27 1f1g n ARG 608 Ca 0.07 -4.55 0.11 0.00 -0.77 0.00 0.00 57.85 52.71 1f1g n ARG 608 Cb 0.54 -2.35 0.67 0.00 -1.02 0.00 0.00 32.46 30.30 1f1g n ARG 608 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1f1g h PRO 609 N 5.24 0.00 -3.39 5.56 0.13 -1.87 -3.44 132.00 134.23 1f1g h PRO 609 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1f1g h PRO 609 Cb 0.73 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.70 1f1g h PRO 609 CO 0.89 0.14 -0.20 0.00 -0.23 0.00 0.00 178.00 178.60 1f1g s ALA 610 N -4.20 -0.71 0.19 -0.56 0.00 -1.23 -4.05 121.76 111.19 1f1g s ALA 610 Ca -0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1f1g s ALA 610 Cb 0.13 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1f1g s ALA 610 CO 0.60 -0.51 0.68 0.00 0.00 0.00 0.00 175.76 176.54 1f1g s GLY 612 N -2.80 -0.40 0.26 0.00 0.00 -0.59 -1.44 107.32 102.35 1f1g s GLY 612 Ca 0.05 0.96 -0.30 0.00 0.00 0.00 0.00 44.72 45.44 1f1g s GLY 612 CO -0.05 0.67 1.09 0.14 0.00 0.00 0.00 173.10 174.95 1f1g s VAL 613 N -1.11 3.61 -0.26 1.40 1.01 -1.26 -0.85 120.40 122.94 1f1g s VAL 613 Ca -0.11 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.20 1f1g s VAL 613 Cb -0.02 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1f1g s VAL 613 CO 0.07 0.36 0.81 -0.63 0.00 0.00 0.00 175.10 175.71 1f1g s ILE 614 N -0.98 4.83 0.21 2.22 1.01 0.26 -4.32 121.20 124.43 1f1g s ILE 614 Ca 0.45 1.48 0.11 0.00 0.00 0.00 0.00 60.65 62.69 1f1g s ILE 614 Cb -0.31 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1f1g s ILE 614 CO 0.39 -0.10 -0.19 -0.83 0.00 0.00 0.00 174.94 174.21 1f1g s GLY 615 N 1.40 1.75 0.25 6.18 0.00 0.01 -0.14 107.32 116.76 1f1g s GLY 615 Ca 0.34 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 1f1g s GLY 615 CO 0.08 -1.69 1.17 -2.27 0.00 0.00 0.00 173.10 170.39 1f1g s LEU 616 N -2.92 4.49 0.00 0.66 0.20 -1.26 -0.52 118.68 119.33 1f1g s LEU 616 Ca 0.24 2.31 0.00 0.00 0.69 0.00 0.00 54.13 57.37 1f1g s LEU 616 Cb -0.07 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1f1g s LEU 616 CO 0.12 -0.29 0.00 1.07 -0.29 0.00 0.00 176.35 176.97 1f1g n THR 617 N 1.69 0.00 -1.46 3.68 5.66 -0.53 -4.86 114.28 118.45 1f1g n THR 617 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1f1g n THR 617 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1f1g n THR 617 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56