#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 502 N 0.00 3.47 0.01 0.03 1.02 -1.26 -4.70 119.74 118.32 2pvx s LYS 502 Ca 0.00 0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.18 2pvx s LYS 502 Cb 0.00 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 2pvx s LYS 502 CO 0.00 -0.21 -0.22 0.15 -0.92 0.00 0.00 175.35 174.15 2pvx s LYS 503 N -4.72 2.08 -0.02 1.68 1.02 -0.59 -1.12 119.74 118.06 2pvx s LYS 503 Ca 0.47 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.57 2pvx s LYS 503 Cb -0.10 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 2pvx s LYS 503 CO 0.44 0.55 -0.21 -1.58 -0.92 0.00 0.00 175.35 173.63 2pvx s TRP 504 N -0.78 1.92 -0.03 3.18 0.52 -0.00 -0.38 118.94 123.37 2pvx s TRP 504 Ca 0.12 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.91 2pvx s TRP 504 Cb -0.10 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 2pvx s TRP 504 CO 0.02 -0.06 -0.25 0.54 0.02 0.00 0.00 176.95 177.22 2pvx s VAL 505 N -0.41 1.99 -0.19 4.03 0.11 -0.15 -0.69 120.40 125.08 2pvx s VAL 505 Ca 0.06 -1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 57.75 2pvx s VAL 505 Cb -0.09 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.08 2pvx s VAL 505 CO -0.00 0.56 1.43 0.00 -3.33 0.00 0.00 175.10 173.76 2pvx n THR 507 N 5.85 0.00 -0.07 0.00 -2.24 -0.38 -0.78 114.28 116.66 2pvx n THR 507 Ca 0.16 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 2pvx n THR 507 Cb 0.45 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 2pvx n THR 507 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 508 N -0.96 1.63 -0.24 2.28 0.31 -1.26 -4.81 118.33 115.28 2pvx n VAL 508 Ca 0.21 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2pvx n VAL 508 Cb 0.10 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 2pvx n VAL 508 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 510 N 0.25 0.78 3.71 0.00 0.00 0.04 -5.03 105.19 104.94 2pvx n GLY 510 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pvx n GLY 510 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 511 N -2.07 2.40 -4.47 1.61 4.19 -1.26 -4.65 117.16 112.91 2pvx n TYR 511 Ca 0.00 0.51 -0.34 0.00 3.31 0.00 0.00 57.90 61.38 2pvx n TYR 511 Cb 0.00 -2.45 -0.13 0.00 0.49 0.00 0.00 39.34 37.26 2pvx n TYR 511 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2pvx s ILE 512 N -0.93 3.72 -0.27 2.97 1.01 -1.26 -0.64 121.20 125.81 2pvx s ILE 512 Ca 0.57 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2pvx s ILE 512 Cb -0.56 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2pvx s ILE 512 CO 0.60 0.50 0.17 -0.47 0.00 0.00 0.00 174.94 175.74 2pvx s TYR 513 N 0.37 3.23 -0.34 3.97 5.04 0.13 -4.97 117.35 124.78 2pvx s TYR 513 Ca -0.05 0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 54.58 2pvx s TYR 513 Cb -0.15 -2.34 0.02 0.00 0.35 0.00 0.00 41.96 39.84 2pvx s TYR 513 CO 0.03 -0.12 0.16 0.34 -1.34 0.00 0.00 175.55 174.62 2pvx s ASP 514 N 1.58 5.54 0.32 4.32 -1.08 -1.26 -0.82 116.67 125.26 2pvx s ASP 514 Ca 0.07 -0.84 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 2pvx s ASP 514 Cb -0.15 -1.98 0.53 0.00 -1.46 0.00 0.00 42.92 39.86 2pvx s ASP 514 CO 0.09 -0.30 1.93 -0.33 0.52 0.00 0.00 175.17 177.08 2pvx h GLU 515 N 8.35 0.83 -0.58 4.34 5.08 -1.35 0.03 114.58 131.28 2pvx h GLU 515 Ca -0.28 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 2pvx h GLU 515 Cb 1.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2pvx h GLU 515 CO 0.64 0.64 0.14 -0.44 -1.00 0.00 0.00 179.01 178.98 2pvx h ASP 516 N 0.83 0.88 0.96 1.42 5.19 -1.86 0.56 116.42 124.39 2pvx h ASP 516 Ca 0.21 -0.23 -0.17 0.00 -0.62 0.00 0.00 57.03 56.22 2pvx h ASP 516 Cb 0.08 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 2pvx h ASP 516 CO -0.03 0.89 -0.80 0.00 -3.12 0.00 0.00 179.24 176.18 2pvx h ALA 517 N 1.03 0.60 -0.88 3.45 0.00 -1.85 -2.36 119.26 119.25 2pvx h ALA 517 Ca 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pvx h ALA 517 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pvx h ALA 517 CO 0.00 0.99 0.00 0.41 0.00 0.00 0.00 179.25 180.66 2pvx n GLY 518 N 0.97 1.93 2.66 0.00 0.00 -0.03 -3.96 105.19 106.75 2pvx n GLY 518 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2pvx n GLY 518 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 519 N -1.20 -2.45 0.22 1.61 2.03 -0.06 -4.69 116.55 112.01 2pvx n ASP 519 Ca 0.00 -3.17 0.05 0.00 0.52 0.00 0.00 54.79 52.19 2pvx n ASP 519 Cb 0.00 1.42 0.50 0.00 -0.72 0.00 0.00 41.12 42.32 2pvx n ASP 519 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pvx h PRO 520 N 4.11 0.00 0.00 -0.67 0.11 -1.59 -0.97 132.00 132.98 2pvx h PRO 520 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2pvx h PRO 520 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pvx h PRO 520 CO 0.32 0.18 0.00 -0.44 -0.21 0.00 0.00 178.00 177.86 2pvx h ASP 521 N 0.00 0.00 -0.31 -2.05 3.32 -1.96 -0.05 116.42 115.37 2pvx h ASP 521 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2pvx h ASP 521 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2pvx h ASP 521 CO 0.02 0.00 0.01 0.59 -1.72 0.00 0.00 179.24 178.14 2pvx n ASN 522 N -2.76 3.81 0.00 6.45 3.02 -0.47 -4.97 115.26 120.33 2pvx n ASN 522 Ca 0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 2pvx n ASN 522 Cb 0.21 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2pvx n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pvx n GLY 523 N -0.55 0.70 3.44 7.41 0.00 -0.03 -5.02 105.19 111.14 2pvx n GLY 523 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 2pvx n GLY 523 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 524 N -2.41 4.76 0.58 -0.61 1.01 -0.59 -4.95 121.20 118.99 2pvx s ILE 524 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2pvx s ILE 524 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2pvx s ILE 524 CO 0.00 -0.03 1.24 -0.44 0.00 0.00 0.00 174.94 175.71 2pvx s SER 525 N 1.62 5.23 0.48 3.58 0.01 -1.26 -0.88 113.70 122.47 2pvx s SER 525 Ca 0.04 2.47 -0.23 0.00 1.31 0.00 0.00 55.95 59.55 2pvx s SER 525 Cb -0.18 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 2pvx s SER 525 CO 0.07 -1.57 1.14 -2.65 0.41 0.00 0.00 173.24 170.64 2pvx n PRO 526 N -1.42 1.50 -0.85 12.44 -0.02 -1.25 -2.78 135.00 142.61 2pvx n PRO 526 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2pvx n PRO 526 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2pvx n PRO 526 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 527 N 1.02 0.51 3.63 -1.23 0.00 0.16 -4.85 105.19 104.44 2pvx n GLY 527 Ca 0.09 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 2pvx n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 528 N -2.00 5.04 0.69 2.61 2.01 -1.06 -4.92 115.64 118.01 2pvx s THR 528 Ca 0.00 1.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 2pvx s THR 528 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2pvx s THR 528 CO 0.00 0.09 1.14 -0.54 -0.69 0.00 0.00 174.62 174.62 2pvx s LYS 529 N 2.17 2.54 0.31 4.92 1.02 -1.26 -4.51 119.74 124.94 2pvx s LYS 529 Ca 0.24 1.49 -0.01 0.00 0.02 0.00 0.00 55.97 57.72 2pvx s LYS 529 Cb -0.16 -1.91 0.49 0.00 -0.52 0.00 0.00 37.83 35.74 2pvx s LYS 529 CO 0.09 -1.47 1.97 0.35 -0.92 0.00 0.00 175.35 175.37 2pvx h PHE 530 N -0.15 0.96 -0.04 3.18 3.57 -1.96 0.41 116.94 122.92 2pvx h PHE 530 Ca -0.47 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.06 2pvx h PHE 530 Cb 1.26 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2pvx h PHE 530 CO 0.52 0.62 0.03 0.93 -2.23 0.00 0.00 178.31 178.18 2pvx h GLU 531 N 1.03 0.00 0.00 1.11 3.07 -1.99 -2.88 114.58 114.91 2pvx h GLU 531 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2pvx h GLU 531 Cb -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2pvx h GLU 531 CO -0.06 0.00 -0.15 0.93 -1.40 0.00 0.00 179.01 178.33 2pvx h GLU 532 N 0.00 0.00 -7.19 2.33 5.08 -1.26 -3.45 114.58 110.09 2pvx h GLU 532 Ca 0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.84 2pvx h GLU 532 Cb 0.08 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.51 2pvx h GLU 532 CO -0.00 0.00 0.31 1.28 -1.00 0.00 0.00 179.01 179.60 2pvx n LEU 533 N -2.67 4.28 -4.61 1.33 4.77 -1.09 -4.91 117.00 114.10 2pvx n LEU 533 Ca 0.04 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.18 2pvx n LEU 533 Cb 0.49 -1.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 2pvx n LEU 533 CO 0.33 -1.76 0.60 -2.65 -1.33 0.00 0.00 177.39 172.59 2pvx n PRO 534 N -3.24 1.40 0.21 3.23 -0.02 -1.26 -4.82 135.00 130.49 2pvx n PRO 534 Ca 0.13 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 2pvx n PRO 534 Cb 0.50 -2.02 0.69 0.00 -0.02 0.00 0.00 33.50 32.65 2pvx n PRO 534 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 535 N 1.67 0.00 -0.57 2.55 3.32 -1.90 -0.45 116.42 121.03 2pvx h ASP 535 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2pvx h ASP 535 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2pvx h ASP 535 CO 0.58 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.20 2pvx n ASP 536 N -4.38 4.94 -4.54 6.45 5.75 -1.26 -4.82 116.55 118.69 2pvx n ASP 536 Ca -0.00 -2.65 -0.41 0.00 -0.01 0.00 0.00 54.79 51.71 2pvx n ASP 536 Cb 0.20 -0.60 0.01 0.00 -1.03 0.00 0.00 41.12 39.70 2pvx n ASP 536 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 2pvx n TRP 537 N 0.76 0.37 -4.25 2.11 -0.00 -0.18 -5.00 117.44 111.25 2pvx n TRP 537 Ca 0.26 0.57 -0.17 0.00 -0.00 0.00 0.00 57.50 58.16 2pvx n TRP 537 Cb 0.98 -2.11 -0.11 0.00 -0.00 0.00 0.00 31.31 30.07 2pvx n TRP 537 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 2pvx s VAL 538 N -1.38 1.31 -0.05 5.87 -7.23 -1.26 -3.89 120.40 113.76 2pvx s VAL 538 Ca 0.64 -1.89 -0.36 0.00 -1.81 0.00 0.00 61.98 58.57 2pvx s VAL 538 Cb -0.57 -1.69 -0.14 0.00 0.56 0.00 0.00 36.38 34.55 2pvx s VAL 538 CO 0.56 -0.56 1.70 0.00 -0.31 0.00 0.00 175.10 176.50 2pvx n PRO 540 N 4.97 0.10 -0.12 0.00 -0.02 -1.26 -1.11 135.00 137.55 2pvx n PRO 540 Ca 0.22 0.34 -0.25 0.00 -2.02 0.00 0.00 63.50 61.78 2pvx n PRO 540 Cb 0.24 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.92 2pvx n PRO 540 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pvx n LEU 541 N -1.87 2.24 -0.02 2.45 4.77 -1.26 -4.76 117.00 118.54 2pvx n LEU 541 Ca 0.03 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2pvx n LEU 541 Cb 0.20 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 2pvx n LEU 541 CO 0.17 0.64 0.02 0.00 -1.33 0.00 0.00 177.39 176.90 2pvx n GLY 543 N 1.05 0.77 3.81 0.00 0.00 -0.27 -4.99 105.19 105.56 2pvx n GLY 543 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pvx n GLY 543 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pvx s VAL 544 N -2.88 3.90 0.91 1.61 -7.23 -1.26 -4.50 120.40 110.95 2pvx s VAL 544 Ca 0.00 0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 2pvx s VAL 544 Cb 0.00 -3.34 0.17 0.00 0.56 0.00 0.00 36.38 33.77 2pvx s VAL 544 CO 0.00 -0.75 1.27 -0.83 -0.31 0.00 0.00 175.10 174.48 2pvx s GLY 545 N -3.53 1.74 0.59 2.32 0.00 -1.26 -0.47 107.32 106.71 2pvx s GLY 545 Ca 0.60 -1.13 0.29 0.00 0.00 0.00 0.00 44.72 44.48 2pvx s GLY 545 CO 0.51 -0.43 2.23 0.50 0.00 0.00 0.00 173.10 175.91 2pvx h LYS 546 N -1.43 0.00 0.00 2.90 1.57 -1.88 -2.31 116.57 115.42 2pvx h LYS 546 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2pvx h LYS 546 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2pvx h LYS 546 CO 0.44 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.92 2pvx n ASP 547 N -3.84 0.00 -1.12 0.86 5.75 -1.26 -1.37 116.55 115.57 2pvx n ASP 547 Ca -0.02 0.44 0.12 0.00 -0.01 0.00 0.00 54.79 55.31 2pvx n ASP 547 Cb 0.13 -0.47 0.25 0.00 -1.03 0.00 0.00 41.12 40.00 2pvx n ASP 547 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pvx n GLN 548 N -1.47 2.45 -3.53 0.11 1.13 -0.87 -4.94 117.38 110.27 2pvx n GLN 548 Ca 0.04 -2.21 -0.27 0.00 -1.94 0.00 0.00 57.00 52.62 2pvx n GLN 548 Cb 0.14 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2pvx n GLN 548 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 549 N -1.45 3.48 0.05 1.08 0.08 -0.47 -1.25 117.98 119.50 2pvx s PHE 549 Ca 0.39 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.88 2pvx s PHE 549 Cb 0.22 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2pvx s PHE 549 CO 0.31 0.27 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.83 2pvx s GLU 550 N -3.57 0.57 0.07 0.44 -1.05 -0.34 -4.92 118.70 109.89 2pvx s GLU 550 Ca 0.40 -1.06 -0.31 0.00 -0.15 0.00 0.00 54.97 53.86 2pvx s GLU 550 Cb -0.11 0.09 -0.07 0.00 -0.44 0.00 0.00 34.13 33.60 2pvx s GLU 550 CO 0.30 -0.07 1.43 0.21 0.95 0.00 0.00 175.26 178.09 2pvx s LYS 551 N -3.14 4.29 -0.23 -4.83 2.20 -1.26 -0.98 119.74 115.78 2pvx s LYS 551 Ca 0.01 2.08 -0.07 0.00 -0.36 0.00 0.00 55.97 57.62 2pvx s LYS 551 Cb 0.02 -3.40 -0.18 0.00 -1.51 0.00 0.00 37.83 32.76 2pvx s LYS 551 CO -0.06 -0.53 -0.09 -0.11 -0.36 0.00 0.00 175.35 174.20 2pvx n LEU 552 N 4.65 2.48 -3.82 5.43 7.94 0.49 -4.86 117.00 129.31 2pvx n LEU 552 Ca 0.13 0.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 2pvx n LEU 552 Cb 0.42 -0.93 -0.10 0.00 0.53 0.00 0.00 43.42 43.34 2pvx n LEU 552 CO 0.59 0.73 -0.09 -1.61 -1.11 0.00 0.00 177.39 175.90 2pvx s GLU 553 N -2.50 0.52 0.00 1.96 2.02 -1.01 -4.96 118.70 114.73 2pvx s GLU 553 Ca -0.33 -0.22 0.28 0.00 0.02 0.00 0.00 54.97 54.72 2pvx s GLU 553 Cb 0.10 0.22 1.04 0.00 0.10 0.00 0.00 34.13 35.60 2pvx s GLU 553 CO 0.60 -0.13 1.74 -0.25 0.02 0.00 0.00 175.26 177.25