#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 -3.81 -2.52 -1.58 4.81 -1.25 -4.92 118.16 108.89 1va3 n LYS 596 Ca 0.00 0.86 -0.22 0.00 -0.87 0.00 0.00 58.31 58.08 1va3 n LYS 596 Cb 0.00 -5.53 0.05 0.00 0.02 0.00 0.00 35.03 29.56 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1va3 s PHE 597 N -3.09 2.83 0.29 5.64 0.08 -0.59 -4.98 117.98 118.16 1va3 s PHE 597 Ca 0.21 0.10 -0.07 0.00 0.12 0.00 0.00 56.93 57.29 1va3 s PHE 597 Cb -0.09 -2.88 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1va3 s PHE 597 CO 0.26 -1.04 0.46 0.00 -0.10 0.00 0.00 175.22 174.80 1va3 s ALA 598 N -2.90 0.32 -0.08 5.36 0.00 -1.26 -1.94 121.76 121.26 1va3 s ALA 598 Ca 0.58 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1va3 s ALA 598 Cb -0.10 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 1va3 s ALA 598 CO 0.40 -0.81 -0.06 0.00 0.00 0.00 0.00 175.76 175.29 1va3 h PRO 600 N 5.44 0.00 0.00 0.00 0.13 -2.00 -3.30 132.00 132.28 1va3 h PRO 600 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1va3 h PRO 600 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1va3 h PRO 600 CO 0.54 0.00 -1.50 0.39 -0.23 0.00 0.00 178.00 177.20 1va3 n GLU 601 N -3.00 0.62 -4.38 0.86 -0.58 -1.26 -4.97 120.64 107.93 1va3 n GLU 601 Ca 0.03 0.24 -0.20 0.00 -0.42 0.00 0.00 57.16 56.81 1va3 n GLU 601 Cb 0.53 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.51 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1va3 n PRO 603 N -0.63 0.22 -1.79 0.00 -0.04 -1.26 -4.23 135.00 127.27 1va3 n PRO 603 Ca -0.01 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1va3 n PRO 603 Cb 0.65 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -3.13 3.93 0.08 0.54 3.01 -1.26 -4.83 119.74 118.07 1va3 s LYS 604 Ca 0.07 2.53 0.09 0.00 -1.01 0.00 0.00 55.97 57.65 1va3 s LYS 604 Cb 0.15 -2.84 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 1va3 s LYS 604 CO 0.73 -0.66 -0.24 1.03 0.51 0.00 0.00 175.35 176.72 1va3 s ARG 605 N -2.25 1.75 0.03 1.68 0.52 -1.26 -2.88 118.95 116.54 1va3 s ARG 605 Ca 0.56 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.69 1va3 s ARG 605 Cb -0.46 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 1va3 s ARG 605 CO 0.61 0.50 -0.22 -0.06 0.02 0.00 0.00 175.30 176.15 1va3 s PHE 606 N -0.94 2.45 -1.90 -0.53 0.40 -0.82 -4.98 117.98 111.66 1va3 s PHE 606 Ca 0.14 -0.33 0.12 0.00 -0.60 0.00 0.00 56.93 56.26 1va3 s PHE 606 Cb -0.10 -1.45 0.36 0.00 0.51 0.00 0.00 43.02 42.34 1va3 s PHE 606 CO 0.05 0.17 1.28 -0.12 0.70 0.00 0.00 175.22 177.30 1va3 n MET 607 N 1.77 2.01 -4.12 0.44 1.56 -1.26 -1.54 117.12 115.98 1va3 n MET 607 Ca -0.17 -1.45 -0.13 0.00 -0.27 0.00 0.00 57.70 55.68 1va3 n MET 607 Cb 0.52 -1.35 -0.06 0.00 2.15 0.00 0.00 33.22 34.48 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1va3 s ARG 608 N -1.50 1.65 -0.07 2.12 0.52 -1.26 -2.45 118.95 117.96 1va3 s ARG 608 Ca 0.27 -1.65 0.10 0.00 -0.52 0.00 0.00 55.73 53.92 1va3 s ARG 608 Cb 0.14 0.40 -0.14 0.00 0.52 0.00 0.00 34.95 35.87 1va3 s ARG 608 CO 0.17 -0.65 0.11 0.43 0.02 0.00 0.00 175.30 175.38 1va3 n SER 609 N -0.94 2.54 -0.05 0.23 7.64 -1.26 -4.10 113.62 117.67 1va3 n SER 609 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 1va3 n SER 609 Cb 0.63 1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 64.79 1va3 n SER 609 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1va3 h ASP 610 N 0.00 0.26 0.18 6.43 5.19 -2.01 -2.94 116.42 123.53 1va3 h ASP 610 Ca -0.17 -0.32 -0.16 0.00 -0.62 0.00 0.00 57.03 55.77 1va3 h ASP 610 Cb 1.19 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1va3 h ASP 610 CO 0.01 0.51 -0.59 -0.74 -3.12 0.00 0.00 179.24 175.32 1va3 h HIS 611 N -0.01 0.53 0.00 4.55 2.76 -2.01 -2.82 115.15 118.15 1va3 h HIS 611 Ca 0.04 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1va3 h HIS 611 Cb 0.38 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1va3 h HIS 611 CO 0.04 0.90 0.00 1.25 -1.30 0.00 0.00 177.93 178.81 1va3 h LEU 612 N 0.31 0.00 -0.10 0.26 6.46 -1.71 -1.99 115.31 118.54 1va3 h LEU 612 Ca -0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.55 1va3 h LEU 612 Cb 1.11 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1va3 h LEU 612 CO 0.10 0.00 -0.74 -1.28 -0.62 0.00 0.00 178.44 175.90 1va3 h SER 613 N 0.00 0.83 0.41 1.25 0.87 -1.31 -2.09 113.55 113.51 1va3 h SER 613 Ca 0.00 -0.66 -0.14 0.00 -1.23 0.00 0.00 61.79 59.76 1va3 h SER 613 Cb 0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1va3 h SER 613 CO 0.00 1.36 -0.58 0.50 -0.53 0.00 0.00 176.83 177.58 1va3 h LYS 614 N 0.36 0.17 0.11 2.24 3.64 -1.48 -1.85 116.57 119.76 1va3 h LYS 614 Ca -0.06 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1va3 h LYS 614 Cb 1.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1va3 h LYS 614 CO 0.15 0.70 -0.05 1.25 -2.27 0.00 0.00 179.45 179.23 1va3 h HIS 615 N 0.13 -0.14 0.00 1.91 2.76 -1.51 -3.18 115.15 115.13 1va3 h HIS 615 Ca -0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1va3 h HIS 615 Cb 1.06 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1va3 h HIS 615 CO 0.01 0.34 -0.19 0.82 -1.30 0.00 0.00 177.93 177.62 1va3 h ILE 616 N -0.72 1.12 -0.50 6.26 2.04 -1.43 -2.71 117.51 121.57 1va3 h ILE 616 Ca -0.02 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1va3 h ILE 616 Cb 0.54 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1va3 h ILE 616 CO 0.02 0.19 0.27 0.11 0.00 0.00 0.00 178.15 178.74 1va3 h LYS 617 N 0.00 0.51 0.00 2.37 1.57 -1.34 -1.60 116.57 118.08 1va3 h LYS 617 Ca -0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1va3 h LYS 617 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1va3 h LYS 617 CO 0.02 0.34 -0.42 0.00 -0.57 0.00 0.00 179.45 178.83 1va3 h THR 618 N 0.52 1.06 -0.11 -0.16 1.03 -1.47 -2.90 112.91 110.89 1va3 h THR 618 Ca 0.22 -1.56 0.03 0.00 -0.01 0.00 0.00 66.41 65.09 1va3 h THR 618 Cb 0.10 1.90 -0.00 0.00 -1.07 0.00 0.00 68.15 69.08 1va3 h THR 618 CO -0.14 0.41 0.08 0.45 -0.01 0.00 0.00 175.52 176.31 1va3 h HIS 619 N 0.00 0.02 -3.82 0.00 3.86 -1.08 -3.40 115.15 110.73 1va3 h HIS 619 Ca -0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 1va3 h HIS 619 Cb 0.87 -0.01 -0.32 0.00 1.06 0.00 0.00 27.41 29.01 1va3 h HIS 619 CO 0.00 0.01 -0.88 1.14 0.86 0.00 0.00 177.93 179.06 1va3 s GLN 620 N -5.07 2.70 -0.05 2.45 -2.07 -1.09 -5.12 119.66 111.40 1va3 s GLN 620 Ca -0.05 -0.90 -0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1va3 s GLN 620 Cb 0.18 -2.20 0.03 0.00 -1.09 0.00 0.00 33.01 29.92 1va3 s GLN 620 CO 0.68 0.32 -0.01 1.21 -1.32 0.00 0.00 175.29 176.18 1va3 s ASN 621 N -0.02 1.01 -0.14 12.60 2.47 -1.26 -4.87 114.94 124.73 1va3 s ASN 621 Ca -0.08 -0.08 -0.15 0.00 0.42 0.00 0.00 52.86 52.97 1va3 s ASN 621 Cb -0.15 -0.37 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 1va3 s ASN 621 CO 0.05 -0.12 0.36 -0.75 -3.72 0.00 0.00 177.10 172.92 1va3 s LYS 622 N 1.34 4.27 0.00 0.43 2.36 -1.26 -5.23 119.74 121.65 1va3 s LYS 622 Ca -0.05 0.22 0.10 0.00 -2.55 0.00 0.00 55.97 53.69 1va3 s LYS 622 Cb -0.13 -3.42 0.08 0.00 -1.05 0.00 0.00 37.83 33.30 1va3 s LYS 622 CO -0.02 0.23 0.81 1.17 1.55 0.00 0.00 175.35 179.08