#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puy s ILE 486 N 0.00 4.11 0.31 1.12 1.01 -1.26 -5.09 121.20 121.41 2puy s ILE 486 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2puy s ILE 486 Cb 0.00 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 2puy s ILE 486 CO 0.00 -0.07 0.67 -1.00 0.00 0.00 0.00 174.94 174.53 2puy s HIS 487 N 1.49 3.42 0.96 3.97 3.76 -1.26 -4.69 115.29 122.95 2puy s HIS 487 Ca 0.01 1.00 -0.12 0.00 -0.15 0.00 0.00 55.06 55.81 2puy s HIS 487 Cb -0.18 -2.38 0.17 0.00 1.11 0.00 0.00 32.58 31.30 2puy s HIS 487 CO 0.04 0.10 1.09 -1.21 -0.85 0.00 0.00 174.74 173.91 2puy s GLU 488 N -3.23 0.73 0.00 1.40 2.02 0.47 -4.99 118.70 115.10 2puy s GLU 488 Ca 0.50 0.91 0.14 0.00 0.02 0.00 0.00 54.97 56.54 2puy s GLU 488 Cb -0.11 -1.74 0.12 0.00 0.10 0.00 0.00 34.13 32.50 2puy s GLU 488 CO 0.24 -2.63 0.95 -0.25 0.02 0.00 0.00 175.26 173.59 2puy n ASP 489 N -4.16 2.19 -4.05 -0.19 8.00 -1.26 -4.74 116.55 112.34 2puy n ASP 489 Ca 0.07 -1.59 -0.19 0.00 0.71 0.00 0.00 54.79 53.79 2puy n ASP 489 Cb 0.55 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.49 2puy n ASP 489 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2puy s PHE 490 N -1.14 0.91 0.25 1.24 0.40 -1.26 -4.47 117.98 113.90 2puy s PHE 490 Ca 0.17 -0.21 -0.31 0.00 -0.60 0.00 0.00 56.93 55.97 2puy s PHE 490 Cb 0.12 -0.57 -0.13 0.00 0.51 0.00 0.00 43.02 42.94 2puy s PHE 490 CO 0.17 -0.01 1.49 0.00 0.70 0.00 0.00 175.22 177.58 2puy h SER 492 N 4.65 0.00 0.00 0.00 0.02 -1.43 0.77 113.55 117.56 2puy h SER 492 Ca -0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2puy h SER 492 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2puy h SER 492 CO 0.79 0.00 -0.84 0.52 -1.14 0.00 0.00 176.83 176.16 2puy n VAL 493 N -2.63 1.46 0.86 2.27 0.31 -1.26 -4.67 118.33 114.67 2puy n VAL 493 Ca 0.01 0.12 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 2puy n VAL 493 Cb 0.24 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 30.89 2puy n VAL 493 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2puy n ARG 495 N -0.22 -1.43 -4.06 0.00 1.74 0.26 -4.96 116.66 107.99 2puy n ARG 495 Ca 0.07 1.15 -0.22 0.00 -0.77 0.00 0.00 57.85 58.08 2puy n ARG 495 Cb 0.39 -5.55 -0.04 0.00 -1.02 0.00 0.00 32.46 26.24 2puy n ARG 495 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2puy s LYS 496 N -3.99 3.00 0.64 5.56 1.02 -1.26 -4.61 119.74 120.10 2puy s LYS 496 Ca 0.00 -1.02 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 2puy s LYS 496 Cb 0.00 -2.61 0.15 0.00 -0.52 0.00 0.00 37.83 34.85 2puy s LYS 496 CO 0.00 0.38 0.77 -1.13 -0.92 0.00 0.00 175.35 174.45 2puy n SER 497 N -1.24 -0.47 0.00 2.83 3.41 -1.26 -1.22 113.62 115.67 2puy n SER 497 Ca -0.08 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2puy n SER 497 Cb 0.58 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2puy n SER 497 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2puy n GLY 498 N -0.79 0.63 3.60 5.00 0.00 -1.26 -4.86 105.19 107.50 2puy n GLY 498 Ca 0.10 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2puy n GLY 498 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2puy s GLN 499 N -0.82 3.67 -0.09 1.61 -0.21 -1.26 -4.99 119.66 117.58 2puy s GLN 499 Ca 0.00 0.87 0.03 0.00 0.02 0.00 0.00 55.36 56.28 2puy s GLN 499 Cb 0.00 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.05 2puy s GLN 499 CO 0.00 -1.45 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.02 2puy s LEU 500 N 4.98 1.94 -0.07 2.90 1.43 -1.26 -4.40 118.68 124.19 2puy s LEU 500 Ca 0.56 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 2puy s LEU 500 Cb -0.12 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2puy s LEU 500 CO 0.31 0.12 0.72 -0.22 0.23 0.00 0.00 176.35 177.51 2puy s LEU 501 N 0.42 4.31 -0.03 1.79 2.96 0.59 -4.82 118.68 123.91 2puy s LEU 501 Ca -0.17 1.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 2puy s LEU 501 Cb -0.17 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 2puy s LEU 501 CO 0.07 -0.15 0.52 -0.04 -1.32 0.00 0.00 176.35 175.43 2puy s MET 502 N 0.92 4.23 0.29 1.98 -1.94 -1.26 -0.93 119.30 122.59 2puy s MET 502 Ca 0.38 0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 54.65 2puy s MET 502 Cb -0.18 -3.33 -0.10 0.00 2.01 0.00 0.00 34.83 33.23 2puy s MET 502 CO 0.18 0.41 1.14 0.00 -0.01 0.00 0.00 175.02 176.74 2puy n ASP 504 N 1.06 0.02 0.00 0.00 8.00 -0.47 -3.97 116.55 121.19 2puy n ASP 504 Ca -0.01 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2puy n ASP 504 Cb 0.44 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2puy n ASP 504 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2puy n THR 505 N -1.45 0.00 -3.99 -3.53 -2.24 -1.26 -5.04 114.28 96.77 2puy n THR 505 Ca 0.08 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 2puy n THR 505 Cb 0.32 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 2puy n THR 505 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2puy n SER 507 N -0.80 0.00 -4.78 0.00 3.41 -1.26 -4.30 113.62 105.89 2puy n SER 507 Ca -0.02 -0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.08 2puy n SER 507 Cb 0.61 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2puy n SER 507 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2puy s ARG 508 N -2.50 2.97 0.08 4.33 0.52 -1.26 -0.40 118.95 122.69 2puy s ARG 508 Ca 0.26 1.41 0.02 0.00 -0.52 0.00 0.00 55.73 56.90 2puy s ARG 508 Cb 0.17 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 2puy s ARG 508 CO 0.38 -1.12 -0.08 0.14 0.02 0.00 0.00 175.30 174.65 2puy s VAL 509 N -2.25 0.67 -0.03 3.52 -7.23 -1.26 -1.66 120.40 112.16 2puy s VAL 509 Ca 0.68 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2puy s VAL 509 Cb -0.21 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.51 2puy s VAL 509 CO 0.38 -0.64 0.18 -0.31 -0.31 0.00 0.00 175.10 174.39 2puy s TYR 510 N -2.61 -0.10 0.35 2.82 2.02 -0.11 -0.99 117.35 118.74 2puy s TYR 510 Ca 0.03 0.21 -0.26 0.00 -0.37 0.00 0.00 57.07 56.68 2puy s TYR 510 Cb -0.02 0.02 -0.09 0.00 -0.40 0.00 0.00 41.96 41.47 2puy s TYR 510 CO -0.02 -0.20 1.05 -1.01 -1.57 0.00 0.00 175.55 173.80 2puy s HIS 511 N -0.65 3.41 0.41 2.71 3.76 -1.26 -0.30 115.29 123.37 2puy s HIS 511 Ca -0.07 1.68 0.08 0.00 -0.15 0.00 0.00 55.06 56.59 2puy s HIS 511 Cb -0.04 -3.15 0.86 0.00 1.11 0.00 0.00 32.58 31.35 2puy s HIS 511 CO 0.01 -0.51 2.03 -0.07 -0.85 0.00 0.00 174.74 175.36 2puy h LEU 512 N 2.99 0.41 -1.01 0.89 3.38 -1.86 -1.60 115.31 118.51 2puy h LEU 512 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2puy h LEU 512 Cb 1.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2puy h LEU 512 CO 0.64 0.34 0.00 0.44 0.09 0.00 0.00 178.44 179.95 2puy h ASP 513 N 0.47 0.00 -0.15 -0.43 3.32 -1.92 -1.69 116.42 116.02 2puy h ASP 513 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2puy h ASP 513 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2puy h ASP 513 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 2puy s LEU 515 N -1.76 3.78 -0.27 0.00 1.43 -1.13 -4.96 118.68 115.77 2puy s LEU 515 Ca 0.34 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 2puy s LEU 515 Cb 0.20 -3.82 0.07 0.00 0.03 0.00 0.00 46.19 42.67 2puy s LEU 515 CO 0.30 -0.44 -0.03 -0.62 0.23 0.00 0.00 176.35 175.79 2puy s ASP 516 N -3.68 4.16 0.49 2.29 2.15 -1.26 -1.08 116.67 119.74 2puy s ASP 516 Ca 0.47 -1.47 -0.20 0.00 0.43 0.00 0.00 52.55 51.79 2puy s ASP 516 Cb -0.10 -1.30 -0.08 0.00 -0.30 0.00 0.00 42.92 41.14 2puy s ASP 516 CO 0.38 -0.28 1.04 -2.16 -0.17 0.00 0.00 175.17 173.98 2puy s PRO 517 N 1.27 3.76 0.44 4.34 0.04 -1.26 -5.14 135.00 138.45 2puy s PRO 517 Ca -0.01 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.16 2puy s PRO 517 Cb -0.19 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2puy s PRO 517 CO -0.08 -0.46 1.13 -1.25 0.04 0.00 0.00 177.00 176.38 2puy s PRO 518 N -3.27 3.90 0.13 0.56 0.04 -0.24 -5.02 135.00 131.10 2puy s PRO 518 Ca 0.67 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.51 2puy s PRO 518 Cb -0.17 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2puy s PRO 518 CO 0.21 -0.41 -0.15 -0.51 0.04 0.00 0.00 177.00 176.17 2puy s LEU 519 N -2.86 2.81 -0.10 -3.56 1.43 -0.65 -4.95 118.68 110.79 2puy s LEU 519 Ca 0.61 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2puy s LEU 519 Cb -0.27 -1.61 -0.11 0.00 0.03 0.00 0.00 46.19 44.23 2puy s LEU 519 CO 0.33 0.16 0.01 0.29 0.23 0.00 0.00 176.35 177.38 2puy n LYS 520 N 0.64 2.13 -3.24 1.70 5.02 -1.26 -4.22 118.16 118.94 2puy n LYS 520 Ca -0.14 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.76 2puy n LYS 520 Cb 0.53 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 2puy n LYS 520 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2puy s THR 521 N -2.23 5.10 0.27 -0.18 -4.23 -1.26 -5.06 115.64 108.04 2puy s THR 521 Ca -0.06 0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 61.11 2puy s THR 521 Cb 0.03 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 2puy s THR 521 CO 0.37 0.17 1.15 -0.51 -0.54 0.00 0.00 174.62 175.26 2puy s ILE 522 N 1.71 3.38 0.34 2.99 2.07 -1.26 -4.96 121.20 125.46 2puy s ILE 522 Ca 0.24 1.33 -0.28 0.00 -1.41 0.00 0.00 60.65 60.54 2puy s ILE 522 Cb -0.15 -3.85 -0.12 0.00 0.13 0.00 0.00 42.46 38.46 2puy s ILE 522 CO 0.10 0.30 1.25 -2.65 -1.91 0.00 0.00 174.94 172.02 2puy n PRO 523 N 1.42 2.00 -3.73 3.50 -0.02 -1.26 -5.01 135.00 131.91 2puy n PRO 523 Ca 0.00 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 2puy n PRO 523 Cb 0.44 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 2puy n PRO 523 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2puy s LYS 524 N -1.86 3.62 2.60 -0.52 1.02 -1.26 -4.96 119.74 118.38 2puy s LYS 524 Ca 0.56 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2puy s LYS 524 Cb -0.58 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2puy s LYS 524 CO 0.62 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 176.13 2puy n GLY 525 N 1.35 -0.55 3.75 -3.33 0.00 -1.26 -4.79 105.19 100.37 2puy n GLY 525 Ca -0.13 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2puy n GLY 525 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2puy s MET 526 N 0.00 4.53 -0.08 1.61 -2.45 -1.26 -5.04 119.30 116.61 2puy s MET 526 Ca 0.00 1.88 0.02 0.00 -1.25 0.00 0.00 55.69 56.34 2puy s MET 526 Cb 0.00 -3.21 0.01 0.00 1.25 0.00 0.00 34.83 32.88 2puy s MET 526 CO 0.00 0.00 -0.15 -0.46 1.05 0.00 0.00 175.02 175.46 2puy s TRP 527 N -0.50 1.78 -0.19 4.11 -0.00 -1.26 -5.08 118.94 117.81 2puy s TRP 527 Ca 0.50 -0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 55.87 2puy s TRP 527 Cb -0.33 -1.27 0.01 0.00 -0.00 0.00 0.00 33.47 31.87 2puy s TRP 527 CO 0.39 -0.35 -0.14 0.42 -0.00 0.00 0.00 176.95 177.27 2puy s ILE 528 N 0.69 2.62 0.87 5.86 1.01 -1.26 -1.37 121.20 129.62 2puy s ILE 528 Ca -0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2puy s ILE 528 Cb -0.16 -2.13 0.12 0.00 0.01 0.00 0.00 42.46 40.29 2puy s ILE 528 CO 0.03 0.50 1.12 0.00 0.00 0.00 0.00 174.94 176.59 2puy h PRO 530 N -1.61 0.58 -0.19 0.00 0.11 -1.99 -0.86 132.00 128.03 2puy h PRO 530 Ca -0.44 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 2puy h PRO 530 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2puy h PRO 530 CO 0.46 0.38 -0.65 0.00 -0.21 0.00 0.00 178.00 177.98 2puy h ARG 531 N 0.59 0.69 -0.61 1.05 2.47 -1.99 -1.07 114.38 115.52 2puy h ARG 531 Ca 0.43 -0.49 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 2puy h ARG 531 Cb 0.78 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.16 2puy h ARG 531 CO -0.18 1.11 0.14 0.00 0.56 0.00 0.00 179.97 181.61 2puy h GLN 533 N 0.89 0.94 -0.78 0.00 4.20 -1.08 -1.20 115.11 118.07 2puy h GLN 533 Ca 0.19 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2puy h GLN 533 Cb 0.36 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2puy h GLN 533 CO 0.00 0.65 0.52 0.22 -0.67 0.00 0.00 178.83 179.55 2puy h ASP 534 N 0.96 0.90 -0.18 1.46 -0.00 -0.83 0.89 116.42 119.62 2puy h ASP 534 Ca 0.26 -0.02 0.02 0.00 -0.00 0.00 0.00 57.03 57.28 2puy h ASP 534 Cb -0.07 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.02 2puy h ASP 534 CO -0.05 0.65 0.04 -0.61 -0.00 0.00 0.00 179.24 179.27 2puy h GLN 535 N 1.06 0.11 -0.37 0.28 5.75 -0.57 0.11 115.11 121.48 2puy h GLN 535 Ca 0.29 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.72 2puy h GLN 535 Cb -0.12 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2puy h GLN 535 CO -0.06 0.07 -0.02 0.52 -2.65 0.00 0.00 178.83 176.69 2puy h MET 536 N 0.11 0.59 -0.21 1.69 2.86 -0.67 -2.65 114.93 116.64 2puy h MET 536 Ca 0.08 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 2puy h MET 536 Cb 0.07 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2puy h MET 536 CO -0.10 0.62 -0.56 -0.07 1.06 0.00 0.00 176.91 177.86 2puy h LEU 537 N 0.56 0.73 -0.87 1.22 3.38 -0.35 -2.73 115.31 117.24 2puy h LEU 537 Ca 0.12 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2puy h LEU 537 Cb 0.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2puy h LEU 537 CO 0.01 1.14 0.50 0.11 0.09 0.00 0.00 178.44 180.29 2puy h LYS 538 N 0.50 1.20 0.00 1.13 1.57 -0.49 0.01 116.57 120.49 2puy h LYS 538 Ca 0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2puy h LYS 538 Cb 1.13 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2puy h LYS 538 CO 0.11 0.87 0.00 0.36 -0.57 0.00 0.00 179.45 180.22 2puy n LYS 539 N -4.38 0.20 0.11 3.15 2.85 -1.03 -3.01 118.16 116.05 2puy n LYS 539 Ca 0.09 0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.18 2puy n LYS 539 Cb 0.08 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.83 2puy n LYS 539 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2puy h GLU 540 N 0.00 0.49 0.00 -1.58 4.57 -0.68 0.28 114.58 117.66 2puy h GLU 540 Ca 0.00 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 2puy h GLU 540 Cb 0.36 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2puy h GLU 540 CO 0.00 1.32 0.00 0.39 -1.18 0.00 0.00 179.01 179.54 2puy n GLU 541 N -3.70 0.96 -0.03 1.92 -0.58 -1.00 -3.84 120.64 114.38 2puy n GLU 541 Ca -0.12 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.55 2puy n GLU 541 Cb 1.00 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 30.38 2puy n GLU 541 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2puy n ALA 542 N -0.97 2.20 0.00 0.62 0.00 -1.15 -5.13 120.51 116.08 2puy n ALA 542 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2puy n ALA 542 Cb 0.10 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2puy n ALA 542 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94