#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 -1.82 -3.46 -1.58 4.81 -1.26 -4.96 118.16 109.88 1va3 n LYS 596 Ca 0.00 0.71 -0.27 0.00 -0.87 0.00 0.00 58.31 57.89 1va3 n LYS 596 Cb 0.00 -5.06 -0.10 0.00 0.02 0.00 0.00 35.03 29.90 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1va3 n PHE 597 N -4.05 0.52 -4.50 5.64 3.01 -1.26 -5.10 117.46 111.71 1va3 n PHE 597 Ca -0.15 -3.66 -0.26 0.00 1.01 0.00 0.00 57.45 54.39 1va3 n PHE 597 Cb 0.62 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.88 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1va3 s ALA 598 N -0.77 2.91 -0.15 4.37 0.00 -1.26 -0.75 121.76 126.11 1va3 s ALA 598 Ca 0.32 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 1va3 s ALA 598 Cb 0.06 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1va3 s ALA 598 CO -0.16 -0.37 0.11 0.00 0.00 0.00 0.00 175.76 175.34 1va3 n PRO 600 N 2.68 0.26 -0.05 0.00 -0.04 -1.26 -3.54 135.00 133.05 1va3 n PRO 600 Ca -0.18 0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1va3 n PRO 600 Cb 0.54 -1.81 -0.16 0.00 -0.04 0.00 0.00 33.50 32.03 1va3 n PRO 600 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1va3 n GLU 601 N -2.26 0.67 -4.35 0.54 1.02 -1.26 -5.02 120.64 109.98 1va3 n GLU 601 Ca 0.05 -0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1va3 n GLU 601 Cb 0.42 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1va3 h PRO 603 N 2.12 0.00 -6.26 0.00 0.13 -1.96 -3.36 132.00 122.68 1va3 h PRO 603 Ca -0.32 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 1va3 h PRO 603 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1va3 h PRO 603 CO 0.49 0.00 1.25 0.15 -0.23 0.00 0.00 178.00 179.67 1va3 s LYS 604 N -3.19 3.91 0.29 0.86 1.02 -1.26 -4.77 119.74 116.59 1va3 s LYS 604 Ca 0.05 2.34 0.11 0.00 0.02 0.00 0.00 55.97 58.49 1va3 s LYS 604 Cb 0.13 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.22 1va3 s LYS 604 CO 0.74 -1.21 -0.16 -0.98 -0.92 0.00 0.00 175.35 172.83 1va3 s ARG 605 N 4.80 1.78 0.34 1.68 1.70 -1.26 -3.05 118.95 124.93 1va3 s ARG 605 Ca 0.87 -1.75 0.08 0.00 -0.47 0.00 0.00 55.73 54.45 1va3 s ARG 605 Cb -0.38 -1.81 -0.03 0.00 -0.57 0.00 0.00 34.95 32.17 1va3 s ARG 605 CO 0.37 0.30 0.29 1.19 -1.08 0.00 0.00 175.30 176.37 1va3 n PHE 606 N -0.68 -0.82 -0.44 5.89 3.01 0.07 -4.99 117.46 119.50 1va3 n PHE 606 Ca -0.05 -2.84 0.05 0.00 1.01 0.00 0.00 57.45 55.62 1va3 n PHE 606 Cb 0.60 0.30 0.13 0.00 -0.01 0.00 0.00 39.48 40.50 1va3 n PHE 606 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1va3 n MET 607 N -0.64 2.65 -3.86 -1.08 2.81 -1.26 -4.35 117.12 111.39 1va3 n MET 607 Ca 0.08 -2.14 -0.11 0.00 -1.81 0.00 0.00 57.70 53.72 1va3 n MET 607 Cb 0.61 -1.35 -0.11 0.00 -0.71 0.00 0.00 33.22 31.66 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1va3 s ARG 608 N -1.69 0.32 0.24 0.03 0.52 -1.26 -4.99 118.95 112.13 1va3 s ARG 608 Ca 0.22 -0.16 0.21 0.00 -0.52 0.00 0.00 55.73 55.47 1va3 s ARG 608 Cb 0.16 0.14 0.06 0.00 0.52 0.00 0.00 34.95 35.83 1va3 s ARG 608 CO 0.08 -0.07 1.19 0.66 0.02 0.00 0.00 175.30 177.18 1va3 h SER 609 N 5.05 0.00 -0.39 0.23 4.64 -1.97 -3.17 113.55 117.94 1va3 h SER 609 Ca -0.28 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1va3 h SER 609 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 1va3 h SER 609 CO 0.41 0.17 0.12 0.44 -0.87 0.00 0.00 176.83 177.11 1va3 h ASP 610 N 0.00 0.12 0.47 4.97 5.19 -2.01 -1.18 116.42 123.97 1va3 h ASP 610 Ca -0.03 0.05 -0.30 0.00 -0.62 0.00 0.00 57.03 56.12 1va3 h ASP 610 Cb 1.16 0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.72 1va3 h ASP 610 CO 0.02 0.10 -1.44 0.45 -3.12 0.00 0.00 179.24 175.25 1va3 h HIS 611 N 0.27 0.57 0.00 4.55 3.86 -2.02 -3.26 115.15 119.13 1va3 h HIS 611 Ca 0.18 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1va3 h HIS 611 Cb 0.17 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1va3 h HIS 611 CO -0.16 1.40 0.00 -0.07 0.86 0.00 0.00 177.93 179.96 1va3 h LEU 612 N 0.09 0.00 -0.14 2.43 3.38 -1.48 -1.66 115.31 117.93 1va3 h LEU 612 Ca -0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 1va3 h LEU 612 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 1va3 h LEU 612 CO 0.20 0.00 -0.54 0.77 0.09 0.00 0.00 178.44 178.95 1va3 h SER 613 N 0.00 0.72 0.62 -0.43 4.64 -1.25 -2.38 113.55 115.47 1va3 h SER 613 Ca 0.00 -0.62 -0.19 0.00 -0.47 0.00 0.00 61.79 60.52 1va3 h SER 613 Cb 0.03 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1va3 h SER 613 CO 0.00 1.22 -0.84 0.50 -0.87 0.00 0.00 176.83 176.84 1va3 h LYS 614 N 0.27 0.15 -0.18 4.77 3.11 -1.48 -2.42 116.57 120.78 1va3 h LYS 614 Ca -0.03 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.63 1va3 h LYS 614 Cb 1.18 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1va3 h LYS 614 CO 0.11 0.90 -0.01 1.25 -2.81 0.00 0.00 179.45 178.89 1va3 h HIS 615 N 0.08 0.36 0.00 1.91 2.76 -1.42 -3.02 115.15 115.83 1va3 h HIS 615 Ca -0.03 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 57.96 1va3 h HIS 615 Cb 1.45 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 1va3 h HIS 615 CO 0.02 0.55 -0.53 0.82 -1.30 0.00 0.00 177.93 177.49 1va3 h ILE 616 N 0.07 1.36 -0.91 6.26 2.04 -1.49 -3.10 117.51 121.75 1va3 h ILE 616 Ca 0.05 -1.83 0.06 0.00 1.00 0.00 0.00 64.86 64.14 1va3 h ILE 616 Cb 0.41 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 1va3 h ILE 616 CO 0.01 0.52 0.58 0.11 0.00 0.00 0.00 178.15 179.37 1va3 h LYS 617 N 0.00 1.02 0.00 2.37 1.57 -1.31 -0.99 116.57 119.23 1va3 h LYS 617 Ca -0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1va3 h LYS 617 Cb 0.95 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1va3 h LYS 617 CO 0.07 0.67 -0.42 0.00 -0.57 0.00 0.00 179.45 179.21 1va3 h THR 618 N 1.05 1.01 -0.19 -0.16 1.03 -1.46 -2.97 112.91 111.22 1va3 h THR 618 Ca 0.40 -1.60 -0.05 0.00 -0.01 0.00 0.00 66.41 65.15 1va3 h THR 618 Cb 0.17 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 1va3 h THR 618 CO -0.17 0.41 -0.10 0.45 -0.01 0.00 0.00 175.52 176.09 1va3 h HIS 619 N 0.00 0.31 -3.58 0.00 3.86 -1.18 -3.40 115.15 111.16 1va3 h HIS 619 Ca -0.00 -0.03 -0.62 0.00 -1.16 0.00 0.00 60.37 58.55 1va3 h HIS 619 Cb 0.91 -0.09 -0.13 0.00 1.06 0.00 0.00 27.41 29.16 1va3 h HIS 619 CO 0.00 0.40 0.00 -0.65 0.86 0.00 0.00 177.93 178.55 1va3 s GLN 620 N -4.78 3.96 -0.03 2.45 -1.52 -1.09 -5.05 119.66 113.59 1va3 s GLN 620 Ca -0.06 0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.58 1va3 s GLN 620 Cb 0.15 -3.69 0.03 0.00 -0.22 0.00 0.00 33.01 29.28 1va3 s GLN 620 CO 0.74 -0.44 0.01 -0.80 -0.25 0.00 0.00 175.29 174.55 1va3 s ASN 621 N 1.61 0.44 -0.39 5.90 0.01 -1.26 -4.96 114.94 116.28 1va3 s ASN 621 Ca 0.21 -0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 52.21 1va3 s ASN 621 Cb -0.15 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.32 1va3 s ASN 621 CO 0.10 -0.12 0.31 -0.75 -1.51 0.00 0.00 177.10 175.14 1va3 s LYS 622 N 1.14 3.17 0.00 -0.60 2.20 -1.26 -5.24 119.74 119.15 1va3 s LYS 622 Ca -0.08 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1va3 s LYS 622 Cb -0.13 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1va3 s LYS 622 CO -0.02 -0.68 0.00 1.63 -0.36 0.00 0.00 175.35 175.92