#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va3 n LYS 596 N 0.00 2.43 -4.20 1.64 0.00 -1.26 -4.84 118.16 111.92 1va3 n LYS 596 Ca 0.00 -3.40 -0.30 0.00 0.00 0.00 0.00 58.31 54.62 1va3 n LYS 596 Cb 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 35.03 32.88 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1va3 s PHE 597 N -3.45 2.79 0.18 5.64 0.08 -1.26 -5.13 117.98 116.83 1va3 s PHE 597 Ca 0.52 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 57.24 1va3 s PHE 597 Cb 0.44 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 41.49 1va3 s PHE 597 CO 0.02 0.44 0.56 0.00 -0.10 0.00 0.00 175.22 176.14 1va3 s ALA 598 N -1.26 -1.24 -0.00 5.36 0.00 -1.26 -3.25 121.76 120.10 1va3 s ALA 598 Ca 0.23 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1va3 s ALA 598 Cb -0.11 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1va3 s ALA 598 CO 0.15 -0.79 0.99 0.00 0.00 0.00 0.00 175.76 176.12 1va3 h PRO 600 N 6.82 0.00 0.00 0.00 0.13 -2.00 -3.28 132.00 133.67 1va3 h PRO 600 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 1va3 h PRO 600 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1va3 h PRO 600 CO 0.76 0.42 -0.52 0.93 -0.23 0.00 0.00 178.00 179.36 1va3 h GLU 601 N 0.00 0.00 -4.95 0.86 4.39 -1.99 -3.46 114.58 109.42 1va3 h GLU 601 Ca -0.03 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.19 1va3 h GLU 601 Cb 1.38 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.89 1va3 h GLU 601 CO 0.06 0.52 -0.53 0.00 -1.16 0.00 0.00 179.01 177.89 1va3 n PRO 603 N -0.72 1.07 -0.46 0.00 -0.04 -1.26 -4.56 135.00 129.03 1va3 n PRO 603 Ca -0.01 -0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 62.53 1va3 n PRO 603 Cb 0.64 -1.49 0.27 0.00 -0.04 0.00 0.00 33.50 32.89 1va3 n PRO 603 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1va3 s LYS 604 N -2.37 -1.70 0.02 0.54 1.02 -1.26 -4.95 119.74 111.03 1va3 s LYS 604 Ca 0.28 0.61 -0.04 0.00 0.02 0.00 0.00 55.97 56.83 1va3 s LYS 604 Cb 0.20 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.01 1va3 s LYS 604 CO 0.47 -4.18 0.05 1.03 -0.92 0.00 0.00 175.35 171.80 1va3 s ARG 605 N -4.62 0.44 0.05 1.68 0.52 -1.26 -3.70 118.95 112.05 1va3 s ARG 605 Ca 0.69 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 55.35 1va3 s ARG 605 Cb -0.22 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 1va3 s ARG 605 CO 0.63 -0.09 -0.12 -0.06 0.02 0.00 0.00 175.30 175.68 1va3 s PHE 606 N -1.73 1.03 -0.44 -0.53 0.40 -1.20 -4.97 117.98 110.53 1va3 s PHE 606 Ca -0.13 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1va3 s PHE 606 Cb -0.07 -0.60 0.59 0.00 0.51 0.00 0.00 43.02 43.45 1va3 s PHE 606 CO -0.01 0.01 1.87 -1.33 0.70 0.00 0.00 175.22 176.46 1va3 n MET 607 N 1.59 2.21 -3.51 0.44 2.81 -1.26 -4.21 117.12 115.18 1va3 n MET 607 Ca -0.20 -2.81 0.02 0.00 -1.81 0.00 0.00 57.70 52.90 1va3 n MET 607 Cb 0.55 -2.10 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 1va3 n MET 607 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1va3 s ARG 608 N -3.11 0.12 0.37 0.03 3.52 -1.26 -3.84 118.95 114.78 1va3 s ARG 608 Ca 0.54 0.23 0.18 0.00 -0.13 0.00 0.00 55.73 56.55 1va3 s ARG 608 Cb 0.45 0.07 0.67 0.00 -1.56 0.00 0.00 34.95 34.57 1va3 s ARG 608 CO 0.09 -0.03 1.73 1.03 -0.81 0.00 0.00 175.30 177.31 1va3 h SER 609 N 5.98 0.00 -0.36 -2.12 0.87 -1.94 -2.23 113.55 113.75 1va3 h SER 609 Ca -0.22 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1va3 h SER 609 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.07 1va3 h SER 609 CO 0.17 0.38 0.13 0.44 -0.53 0.00 0.00 176.83 177.42 1va3 h ASP 610 N 0.00 0.14 0.65 6.23 5.19 -2.01 -1.75 116.42 124.87 1va3 h ASP 610 Ca -0.00 0.04 -0.27 0.00 -0.62 0.00 0.00 57.03 56.18 1va3 h ASP 610 Cb 0.90 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1va3 h ASP 610 CO 0.05 0.12 -1.30 0.45 -3.12 0.00 0.00 179.24 175.44 1va3 h HIS 611 N 0.28 0.34 -0.00 4.55 3.86 -1.98 -3.24 115.15 118.96 1va3 h HIS 611 Ca 0.17 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1va3 h HIS 611 Cb 0.14 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1va3 h HIS 611 CO -0.14 1.23 0.04 1.25 0.86 0.00 0.00 177.93 181.17 1va3 h LEU 612 N 0.05 0.00 -0.25 2.43 6.46 -1.11 -1.70 115.31 121.19 1va3 h LEU 612 Ca -0.15 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.50 1va3 h LEU 612 Cb 1.94 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.87 1va3 h LEU 612 CO 0.17 0.00 -0.28 0.77 -0.62 0.00 0.00 178.44 178.48 1va3 h SER 613 N 0.00 0.67 0.10 1.25 4.64 -1.35 -2.98 113.55 115.87 1va3 h SER 613 Ca 0.00 -0.49 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1va3 h SER 613 Cb 0.08 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1va3 h SER 613 CO -0.00 1.02 -0.21 0.11 -0.87 0.00 0.00 176.83 176.89 1va3 h LYS 614 N 0.33 0.21 -0.57 4.77 1.57 -1.48 -2.82 116.57 118.59 1va3 h LYS 614 Ca 0.03 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1va3 h LYS 614 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1va3 h LYS 614 CO 0.07 0.41 0.19 1.25 -0.57 0.00 0.00 179.45 180.80 1va3 h HIS 615 N 0.19 0.90 0.00 -1.35 2.76 -1.43 -2.56 115.15 113.66 1va3 h HIS 615 Ca 0.03 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1va3 h HIS 615 Cb 0.48 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1va3 h HIS 615 CO 0.01 0.75 -0.21 0.82 -1.30 0.00 0.00 177.93 178.00 1va3 h ILE 616 N 0.79 1.14 -0.78 6.26 1.08 -1.35 -2.44 117.51 122.21 1va3 h ILE 616 Ca 0.18 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1va3 h ILE 616 Cb 0.26 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1va3 h ILE 616 CO -0.01 0.21 0.49 0.11 -0.69 0.00 0.00 178.15 178.26 1va3 h LYS 617 N 0.00 1.04 -0.02 2.37 1.79 -1.34 -1.75 116.57 118.67 1va3 h LYS 617 Ca -0.00 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.23 1va3 h LYS 617 Cb 0.38 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1va3 h LYS 617 CO 0.03 0.71 -0.73 1.79 -1.08 0.00 0.00 179.45 180.17 1va3 h THR 618 N 1.07 1.47 -0.34 -0.16 1.35 -1.43 -3.13 112.91 111.75 1va3 h THR 618 Ca 0.28 -2.36 -0.08 0.00 -0.55 0.00 0.00 66.41 63.70 1va3 h THR 618 Cb -0.08 2.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1va3 h THR 618 CO -0.06 0.68 -0.13 0.45 -0.25 0.00 0.00 175.52 176.21 1va3 h HIS 619 N 0.07 0.65 -3.43 4.73 3.86 -1.14 -3.44 115.15 116.46 1va3 h HIS 619 Ca -0.02 -0.11 -0.53 0.00 -1.16 0.00 0.00 60.37 58.56 1va3 h HIS 619 Cb 1.28 -0.17 0.06 0.00 1.06 0.00 0.00 27.41 29.64 1va3 h HIS 619 CO 0.01 0.71 0.76 -1.14 0.86 0.00 0.00 177.93 179.13 1va3 s GLN 620 N -4.73 4.26 -0.12 2.45 0.74 -0.79 -4.39 119.66 117.09 1va3 s GLN 620 Ca -0.08 2.31 -0.09 0.00 0.05 0.00 0.00 55.36 57.55 1va3 s GLN 620 Cb 0.14 -3.10 0.03 0.00 1.10 0.00 0.00 33.01 31.19 1va3 s GLN 620 CO 0.80 -0.41 0.18 -1.71 -0.55 0.00 0.00 175.29 173.59 1va3 n ASN 621 N 2.17 -3.16 -4.40 6.67 4.05 -1.26 -4.88 115.26 114.44 1va3 n ASN 621 Ca 0.06 1.52 -0.45 0.00 0.45 0.00 0.00 54.58 56.17 1va3 n ASN 621 Cb 0.40 -5.28 -0.03 0.00 1.23 0.00 0.00 39.78 36.10 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1va3 s LYS 622 N -0.65 3.31 0.00 1.20 -0.14 -1.26 -5.04 119.74 117.16 1va3 s LYS 622 Ca -0.21 -1.56 0.06 0.00 -1.36 0.00 0.00 55.97 52.91 1va3 s LYS 622 Cb 0.01 -4.49 0.35 0.00 -1.68 0.00 0.00 37.83 32.03 1va3 s LYS 622 CO 0.55 -1.62 0.82 1.63 -0.76 0.00 0.00 175.35 175.97