#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 602 N 0.00 3.59 0.02 0.03 1.02 -1.26 -4.76 119.74 118.38 2pvx s LYS 602 Ca 0.00 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.34 2pvx s LYS 602 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 2pvx s LYS 602 CO 0.00 -0.21 -0.12 0.15 -0.92 0.00 0.00 175.35 174.25 2pvx s LYS 603 N -4.61 2.34 -0.00 1.68 1.02 -0.44 -1.11 119.74 118.62 2pvx s LYS 603 Ca 0.49 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.71 2pvx s LYS 603 Cb -0.10 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2pvx s LYS 603 CO 0.43 0.58 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.66 2pvx s TRP 604 N -0.95 1.81 -0.05 3.18 0.52 0.09 -0.35 118.94 123.19 2pvx s TRP 604 Ca 0.16 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.99 2pvx s TRP 604 Cb -0.11 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.05 2pvx s TRP 604 CO 0.06 -0.01 -0.25 0.54 0.02 0.00 0.00 176.95 177.31 2pvx s VAL 605 N -0.54 2.09 -0.14 4.03 0.11 -0.03 -0.80 120.40 125.13 2pvx s VAL 605 Ca 0.08 -1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 57.77 2pvx s VAL 605 Cb -0.08 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 2pvx s VAL 605 CO -0.00 0.57 1.44 0.00 -3.33 0.00 0.00 175.10 173.79 2pvx n THR 607 N 5.58 0.00 -0.05 0.00 -2.24 -0.53 -0.99 114.28 116.05 2pvx n THR 607 Ca 0.16 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.69 2pvx n THR 607 Cb 0.44 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 2pvx n THR 607 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 608 N -0.84 1.67 -0.20 2.28 0.31 -1.26 -4.83 118.33 115.46 2pvx n VAL 608 Ca 0.22 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2pvx n VAL 608 Cb 0.13 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2pvx n VAL 608 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 610 N 0.26 0.79 3.68 0.00 0.00 -0.16 -5.03 105.19 104.73 2pvx n GLY 610 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pvx n GLY 610 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 611 N -2.02 1.97 -4.84 1.61 4.19 -1.26 -4.66 117.16 112.14 2pvx n TYR 611 Ca 0.00 0.55 -0.33 0.00 3.31 0.00 0.00 57.90 61.43 2pvx n TYR 611 Cb 0.00 -2.36 -0.15 0.00 0.49 0.00 0.00 39.34 37.33 2pvx n TYR 611 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2pvx s ILE 612 N -1.15 2.92 -0.27 2.97 1.01 -1.26 -0.57 121.20 124.85 2pvx s ILE 612 Ca 0.59 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 2pvx s ILE 612 Cb -0.56 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2pvx s ILE 612 CO 0.60 0.53 0.16 -0.47 0.00 0.00 0.00 174.94 175.76 2pvx s TYR 613 N 0.32 3.19 -0.31 3.97 5.04 0.02 -4.97 117.35 124.61 2pvx s TYR 613 Ca -0.12 -0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.43 2pvx s TYR 613 Cb -0.16 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.82 2pvx s TYR 613 CO 0.06 -0.19 0.11 0.34 -1.34 0.00 0.00 175.55 174.53 2pvx s ASP 614 N 1.67 5.29 0.36 4.32 -1.08 -1.26 -0.73 116.67 125.24 2pvx s ASP 614 Ca 0.07 -0.74 0.03 0.00 -0.52 0.00 0.00 52.55 51.39 2pvx s ASP 614 Cb -0.16 -1.92 0.67 0.00 -1.46 0.00 0.00 42.92 40.05 2pvx s ASP 614 CO 0.09 -0.22 2.02 -0.33 0.52 0.00 0.00 175.17 177.24 2pvx h GLU 615 N 8.28 0.79 -0.44 4.34 5.08 -1.34 -0.05 114.58 131.24 2pvx h GLU 615 Ca -0.30 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2pvx h GLU 615 Cb 1.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2pvx h GLU 615 CO 0.61 0.53 0.14 -0.44 -1.00 0.00 0.00 179.01 178.85 2pvx h ASP 616 N 0.82 0.64 1.03 1.42 3.32 -1.86 0.17 116.42 121.96 2pvx h ASP 616 Ca 0.22 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2pvx h ASP 616 Cb -0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2pvx h ASP 616 CO -0.05 0.67 -0.79 0.00 -1.72 0.00 0.00 179.24 177.36 2pvx h ALA 617 N 0.99 0.57 -0.98 3.45 0.00 -1.84 -2.48 119.26 118.97 2pvx h ALA 617 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2pvx h ALA 617 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pvx h ALA 617 CO -0.00 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2pvx n GLY 618 N 1.06 1.95 2.67 0.00 0.00 -0.07 -3.91 105.19 106.89 2pvx n GLY 618 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2pvx n GLY 618 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 619 N -1.16 -2.35 -0.12 1.61 2.03 0.05 -4.66 116.55 111.95 2pvx n ASP 619 Ca 0.00 -3.30 0.10 0.00 0.52 0.00 0.00 54.79 52.11 2pvx n ASP 619 Cb 0.00 1.50 0.45 0.00 -0.72 0.00 0.00 41.12 42.35 2pvx n ASP 619 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pvx h PRO 620 N 3.80 0.51 0.00 -0.67 0.11 -1.56 -0.13 132.00 134.06 2pvx h PRO 620 Ca -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2pvx h PRO 620 Cb 1.02 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2pvx h PRO 620 CO 0.32 0.34 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.94 2pvx h ASP 621 N 0.52 0.00 -0.60 -2.05 3.32 -1.96 -0.10 116.42 115.56 2pvx h ASP 621 Ca 0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 2pvx h ASP 621 Cb 0.45 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.86 2pvx h ASP 621 CO -0.09 0.06 0.21 0.59 -1.72 0.00 0.00 179.24 178.29 2pvx n ASN 622 N -3.86 3.66 0.00 6.45 3.02 -0.16 -4.93 115.26 119.44 2pvx n ASN 622 Ca -0.02 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 2pvx n ASN 622 Cb 0.16 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2pvx n ASN 622 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pvx n GLY 623 N -0.77 0.57 3.30 7.41 0.00 -0.05 -5.02 105.19 110.63 2pvx n GLY 623 Ca 0.40 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2pvx n GLY 623 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 624 N -2.00 3.85 0.61 -0.61 1.01 -0.61 -4.95 121.20 118.50 2pvx s ILE 624 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2pvx s ILE 624 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2pvx s ILE 624 CO 0.00 -0.07 1.15 -0.44 0.00 0.00 0.00 174.94 175.58 2pvx s SER 625 N 1.44 5.22 0.54 3.58 0.01 -1.26 -0.77 113.70 122.46 2pvx s SER 625 Ca 0.00 2.20 -0.20 0.00 1.31 0.00 0.00 55.95 59.26 2pvx s SER 625 Cb -0.18 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 2pvx s SER 625 CO 0.03 -1.56 0.99 -2.65 0.41 0.00 0.00 173.24 170.45 2pvx n PRO 626 N -1.86 1.09 -0.88 12.44 -0.02 -1.25 -2.98 135.00 141.53 2pvx n PRO 626 Ca 0.12 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2pvx n PRO 626 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2pvx n PRO 626 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 627 N 1.24 0.51 3.62 -1.23 0.00 0.03 -4.85 105.19 104.50 2pvx n GLY 627 Ca 0.12 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2pvx n GLY 627 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 628 N -2.00 4.88 0.69 2.61 2.01 -1.08 -4.93 115.64 117.82 2pvx s THR 628 Ca 0.00 1.19 -0.16 0.00 0.31 0.00 0.00 61.69 63.03 2pvx s THR 628 Cb 0.00 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.47 2pvx s THR 628 CO 0.00 -0.13 1.23 -0.54 -0.69 0.00 0.00 174.62 174.50 2pvx s LYS 629 N 2.76 2.33 0.34 4.92 1.02 -1.26 -4.49 119.74 125.36 2pvx s LYS 629 Ca 0.30 1.87 0.05 0.00 0.02 0.00 0.00 55.97 58.20 2pvx s LYS 629 Cb -0.15 -1.84 0.68 0.00 -0.52 0.00 0.00 37.83 36.00 2pvx s LYS 629 CO 0.10 -1.72 1.92 0.35 -0.92 0.00 0.00 175.35 175.09 2pvx h PHE 630 N 0.07 0.88 0.00 3.18 3.57 -1.96 -0.11 116.94 122.57 2pvx h PHE 630 Ca -0.49 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 2pvx h PHE 630 Cb 1.31 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2pvx h PHE 630 CO 0.45 0.43 -0.15 0.93 -2.23 0.00 0.00 178.31 177.74 2pvx h GLU 631 N 0.84 0.00 0.00 1.11 3.07 -2.00 -2.92 114.58 114.68 2pvx h GLU 631 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2pvx h GLU 631 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2pvx h GLU 631 CO -0.14 0.15 -0.16 0.93 -1.40 0.00 0.00 179.01 178.38 2pvx h GLU 632 N 0.00 0.00 -7.20 2.33 5.08 -1.36 -3.46 114.58 109.97 2pvx h GLU 632 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2pvx h GLU 632 Cb 0.34 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.76 2pvx h GLU 632 CO 0.02 0.00 0.35 -0.51 -1.00 0.00 0.00 179.01 177.87 2pvx s LEU 633 N -4.67 3.18 0.48 1.33 1.43 -1.11 -4.90 118.68 114.43 2pvx s LEU 633 Ca 0.09 2.33 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 2pvx s LEU 633 Cb 0.12 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 2pvx s LEU 633 CO 0.64 -2.52 1.04 -2.65 0.23 0.00 0.00 176.35 173.08 2pvx n PRO 634 N -3.16 1.30 0.27 1.29 -0.02 -1.26 -4.83 135.00 128.59 2pvx n PRO 634 Ca 0.13 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2pvx n PRO 634 Cb 0.51 -2.15 0.74 0.00 -0.02 0.00 0.00 33.50 32.58 2pvx n PRO 634 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 635 N 1.28 0.00 -0.53 2.55 3.45 -1.90 -0.08 116.42 121.19 2pvx h ASP 635 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2pvx h ASP 635 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 2pvx h ASP 635 CO 0.55 0.02 0.00 -0.90 -1.57 0.00 0.00 179.24 177.34 2pvx n ASP 636 N -4.21 5.13 -4.55 6.45 3.85 -1.26 -4.81 116.55 117.15 2pvx n ASP 636 Ca -0.03 -2.83 -0.40 0.00 -0.71 0.00 0.00 54.79 50.83 2pvx n ASP 636 Cb 0.11 -0.63 0.03 0.00 -1.35 0.00 0.00 41.12 39.28 2pvx n ASP 636 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.20 178.06 2pvx n TRP 637 N 0.51 0.32 -4.23 2.11 -0.00 -0.04 -4.99 117.44 111.12 2pvx n TRP 637 Ca 0.26 0.50 -0.15 0.00 -0.00 0.00 0.00 57.50 58.11 2pvx n TRP 637 Cb 1.06 -2.09 -0.11 0.00 -0.00 0.00 0.00 31.31 30.17 2pvx n TRP 637 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 2pvx s VAL 638 N -1.48 1.16 -0.05 5.87 -7.23 -1.26 -3.96 120.40 113.44 2pvx s VAL 638 Ca 0.68 -1.84 -0.36 0.00 -1.81 0.00 0.00 61.98 58.65 2pvx s VAL 638 Cb -0.50 -1.62 -0.14 0.00 0.56 0.00 0.00 36.38 34.69 2pvx s VAL 638 CO 0.54 -0.60 1.69 0.00 -0.31 0.00 0.00 175.10 176.42 2pvx n PRO 640 N 4.92 0.18 -0.12 0.00 -0.02 -1.26 -0.76 135.00 137.94 2pvx n PRO 640 Ca 0.22 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 2pvx n PRO 640 Cb 0.23 -1.89 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 2pvx n PRO 640 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pvx n LEU 641 N -2.24 2.22 -0.00 2.45 4.77 -1.26 -4.73 117.00 118.20 2pvx n LEU 641 Ca 0.01 0.24 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2pvx n LEU 641 Cb 0.18 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2pvx n LEU 641 CO 0.17 0.63 -0.08 0.00 -1.33 0.00 0.00 177.39 176.78 2pvx n GLY 643 N 1.27 0.75 3.84 0.00 0.00 0.07 -4.98 105.19 106.14 2pvx n GLY 643 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pvx n GLY 643 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvx s VAL 644 N -2.82 4.28 0.95 1.61 0.11 -1.26 -4.50 120.40 118.76 2pvx s VAL 644 Ca 0.00 0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 59.76 2pvx s VAL 644 Cb 0.00 -3.59 0.18 0.00 -1.53 0.00 0.00 36.38 31.44 2pvx s VAL 644 CO 0.00 -0.85 1.29 -0.83 -3.33 0.00 0.00 175.10 171.38 2pvx s GLY 645 N -3.60 1.74 0.58 6.54 0.00 -1.26 -0.35 107.32 110.97 2pvx s GLY 645 Ca 0.58 -1.09 0.28 0.00 0.00 0.00 0.00 44.72 44.49 2pvx s GLY 645 CO 0.47 -0.36 2.24 0.50 0.00 0.00 0.00 173.10 175.94 2pvx h LYS 646 N -1.59 0.00 0.00 2.90 1.57 -1.88 -2.33 116.57 115.25 2pvx h LYS 646 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2pvx h LYS 646 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2pvx h LYS 646 CO 0.43 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 178.91 2pvx n ASP 647 N -3.94 0.00 -1.24 0.86 5.75 -1.26 -1.37 116.55 115.35 2pvx n ASP 647 Ca -0.03 -0.02 0.12 0.00 -0.01 0.00 0.00 54.79 54.85 2pvx n ASP 647 Cb 0.09 -0.26 0.26 0.00 -1.03 0.00 0.00 41.12 40.18 2pvx n ASP 647 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pvx n GLN 648 N -1.26 2.60 -3.48 0.11 1.13 -0.87 -4.94 117.38 110.66 2pvx n GLN 648 Ca 0.09 -2.45 -0.27 0.00 -1.94 0.00 0.00 57.00 52.43 2pvx n GLN 648 Cb 0.14 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 2pvx n GLN 648 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 649 N -1.26 3.48 0.07 1.08 0.40 -0.47 -1.45 117.98 119.83 2pvx s PHE 649 Ca 0.43 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 57.23 2pvx s PHE 649 Cb 0.24 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 2pvx s PHE 649 CO 0.32 0.24 -0.07 -1.83 0.70 0.00 0.00 175.22 174.58 2pvx s GLU 650 N -3.68 0.70 0.16 0.44 -1.05 -0.40 -4.93 118.70 109.94 2pvx s GLU 650 Ca 0.41 -1.08 -0.32 0.00 -0.15 0.00 0.00 54.97 53.84 2pvx s GLU 650 Cb -0.10 -0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.24 2pvx s GLU 650 CO 0.31 0.01 1.57 0.21 0.95 0.00 0.00 175.26 178.32 2pvx s LYS 651 N -2.82 4.21 -0.19 -4.83 2.20 -1.26 -0.85 119.74 116.21 2pvx s LYS 651 Ca 0.02 2.36 -0.10 0.00 -0.36 0.00 0.00 55.97 57.89 2pvx s LYS 651 Cb -0.02 -3.18 -0.21 0.00 -1.51 0.00 0.00 37.83 32.92 2pvx s LYS 651 CO -0.02 -0.61 0.11 -0.11 -0.36 0.00 0.00 175.35 174.35 2pvx n LEU 652 N 4.05 2.43 -3.54 5.43 7.94 0.52 -4.83 117.00 129.01 2pvx n LEU 652 Ca 0.14 0.21 -0.14 0.00 -1.11 0.00 0.00 56.01 55.11 2pvx n LEU 652 Cb 0.39 -1.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.29 2pvx n LEU 652 CO 0.61 0.70 0.32 -1.83 -1.11 0.00 0.00 177.39 176.08 2pvx s GLU 653 N -2.50 1.10 0.00 1.96 -1.05 -0.97 -4.97 118.70 112.27 2pvx s GLU 653 Ca -0.29 -0.26 0.31 0.00 -0.15 0.00 0.00 54.97 54.59 2pvx s GLU 653 Cb 0.08 0.50 1.66 0.00 -0.44 0.00 0.00 34.13 35.94 2pvx s GLU 653 CO 0.65 -0.41 2.09 -0.25 0.95 0.00 0.00 175.26 178.29