#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 -2.13 -3.31 1.64 0.00 -1.26 -4.96 118.16 108.14 1va3 n LYS 596 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 58.31 59.24 1va3 n LYS 596 Cb 0.00 -5.70 -0.06 0.00 0.00 0.00 0.00 35.03 29.26 1va3 n LYS 596 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1va3 s PHE 597 N -3.07 -0.98 0.03 5.64 5.36 -1.26 -5.15 117.98 118.55 1va3 s PHE 597 Ca 0.04 0.72 -0.15 0.00 -0.96 0.00 0.00 56.93 56.58 1va3 s PHE 597 Cb -0.02 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 1va3 s PHE 597 CO 0.05 -0.84 0.34 0.00 -1.46 0.00 0.00 175.22 173.32 1va3 s ALA 598 N 2.58 -0.81 0.17 11.12 0.00 -1.26 -3.33 121.76 130.23 1va3 s ALA 598 Ca 0.12 0.18 -0.32 0.00 0.00 0.00 0.00 51.96 51.94 1va3 s ALA 598 Cb -0.14 0.27 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 1va3 s ALA 598 CO -0.22 -0.39 1.72 0.00 0.00 0.00 0.00 175.76 176.87 1va3 h PRO 600 N 7.03 0.21 0.00 0.00 0.13 -1.99 -3.28 132.00 134.11 1va3 h PRO 600 Ca -0.44 -0.36 -0.02 0.00 -0.87 0.00 0.00 66.00 64.31 1va3 h PRO 600 Cb 1.22 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1va3 h PRO 600 CO 0.94 1.16 -0.07 0.93 -0.23 0.00 0.00 178.00 180.72 1va3 h GLU 601 N 0.06 0.00 -4.96 0.86 3.07 -1.97 -3.44 114.58 108.20 1va3 h GLU 601 Ca -0.12 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.25 1va3 h GLU 601 Cb 1.94 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.71 1va3 h GLU 601 CO 0.18 0.07 -0.53 0.00 -1.40 0.00 0.00 179.01 177.34 1va3 n PRO 603 N -0.72 0.27 -1.81 0.00 -0.04 -1.26 -4.64 135.00 126.79 1va3 n PRO 603 Ca -0.01 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1va3 n PRO 603 Cb 0.64 -1.66 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 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 -3.16 4.14 0.25 0.54 1.02 -1.26 -4.94 119.74 116.33 1va3 s LYS 604 Ca 0.06 2.54 0.11 0.00 0.02 0.00 0.00 55.97 58.70 1va3 s LYS 604 Cb 0.14 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1va3 s LYS 604 CO 0.73 -0.58 -0.14 1.03 -0.92 0.00 0.00 175.35 175.47 1va3 s ARG 605 N -0.96 1.86 0.09 1.68 0.52 -1.26 -3.10 118.95 117.78 1va3 s ARG 605 Ca 0.60 -1.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.29 1va3 s ARG 605 Cb -0.47 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 1va3 s ARG 605 CO 0.52 0.36 -0.16 -0.06 0.02 0.00 0.00 175.30 175.98 1va3 s PHE 606 N -2.23 1.40 -0.65 -0.53 0.40 -1.21 -4.97 117.98 110.19 1va3 s PHE 606 Ca 0.28 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.26 1va3 s PHE 606 Cb -0.06 -0.77 0.58 0.00 0.51 0.00 0.00 43.02 43.27 1va3 s PHE 606 CO 0.15 0.11 1.40 -1.33 0.70 0.00 0.00 175.22 176.26 1va3 n MET 607 N 1.11 3.62 -3.99 0.44 2.81 -1.26 -3.34 117.12 116.51 1va3 n MET 607 Ca -0.20 -2.23 -0.11 0.00 -1.81 0.00 0.00 57.70 53.35 1va3 n MET 607 Cb 0.54 -1.98 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.15 1.86 -0.04 0.03 3.00 -1.26 -4.71 118.95 115.68 1va3 s ARG 608 Ca 0.39 -1.51 0.08 0.00 0.00 0.00 0.00 55.73 54.69 1va3 s ARG 608 Cb 0.29 0.50 -0.11 0.00 0.00 0.00 0.00 34.95 35.62 1va3 s ARG 608 CO 0.13 -0.80 0.11 -1.13 0.00 0.00 0.00 175.30 173.61 1va3 n SER 609 N -1.05 3.10 -0.04 0.23 3.41 -1.26 -4.14 113.62 113.87 1va3 n SER 609 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1va3 n SER 609 Cb 0.61 1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 65.53 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1va3 h ASP 610 N 0.00 0.26 0.54 4.04 1.82 -2.01 -2.81 116.42 118.26 1va3 h ASP 610 Ca -0.10 -0.40 -0.20 0.00 -0.39 0.00 0.00 57.03 55.94 1va3 h ASP 610 Cb 0.92 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1va3 h ASP 610 CO 0.01 0.60 -0.88 0.45 -1.61 0.00 0.00 179.24 177.80 1va3 h HIS 611 N -0.09 0.35 0.00 0.28 3.86 -2.01 -3.06 115.15 114.48 1va3 h HIS 611 Ca 0.03 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1va3 h HIS 611 Cb 0.50 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1va3 h HIS 611 CO 0.06 1.00 0.00 -0.11 0.86 0.00 0.00 177.93 179.74 1va3 n LEU 612 N -3.68 0.60 0.12 2.43 0.00 -1.22 -2.16 117.00 113.10 1va3 n LEU 612 Ca -0.04 0.70 -0.20 0.00 0.00 0.00 0.00 56.01 56.47 1va3 n LEU 612 Cb 0.81 -0.67 -0.14 0.00 0.00 0.00 0.00 43.42 43.42 1va3 n LEU 612 CO 0.48 -0.71 -0.10 -1.28 0.00 0.00 0.00 177.39 175.79 1va3 h SER 613 N 0.00 0.66 0.49 1.96 0.87 -1.38 -3.27 113.55 112.88 1va3 h SER 613 Ca 0.00 -0.67 -0.15 0.00 -1.23 0.00 0.00 61.79 59.74 1va3 h SER 613 Cb 0.21 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1va3 h SER 613 CO 0.00 1.51 -0.66 0.50 -0.53 0.00 0.00 176.83 177.65 1va3 h LYS 614 N 0.14 0.15 -0.58 2.24 3.11 -1.55 -3.21 116.57 116.88 1va3 h LYS 614 Ca -0.18 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 1va3 h LYS 614 Cb 2.00 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 33.23 1va3 h LYS 614 CO 0.23 0.76 0.38 1.25 -2.81 0.00 0.00 179.45 179.26 1va3 h HIS 615 N 0.11 0.73 -0.28 1.91 2.76 -1.58 -2.04 115.15 116.76 1va3 h HIS 615 Ca -0.01 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1va3 h HIS 615 Cb 1.19 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 1va3 h HIS 615 CO 0.02 0.46 0.21 0.82 -1.30 0.00 0.00 177.93 178.14 1va3 h ILE 616 N 0.78 0.82 -0.50 6.26 1.08 -1.60 -1.18 117.51 123.18 1va3 h ILE 616 Ca 0.21 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.83 1va3 h ILE 616 Cb -0.08 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1va3 h ILE 616 CO -0.05 0.00 0.37 0.11 -0.69 0.00 0.00 178.15 177.90 1va3 h LYS 617 N 0.00 0.00 -0.04 2.37 1.57 -1.46 0.17 116.57 119.18 1va3 h LYS 617 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1va3 h LYS 617 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1va3 h LYS 617 CO -0.00 0.00 -0.54 0.00 -0.57 0.00 0.00 179.45 178.34 1va3 h THR 618 N 0.00 1.38 0.12 -0.16 1.03 -1.34 -3.16 112.91 110.79 1va3 h THR 618 Ca 0.24 -1.85 -0.30 0.00 -0.01 0.00 0.00 66.41 64.49 1va3 h THR 618 Cb 0.98 1.96 -0.00 0.00 -1.07 0.00 0.00 68.15 70.01 1va3 h THR 618 CO -0.00 0.54 -1.46 0.45 -0.01 0.00 0.00 175.52 175.04 1va3 h HIS 619 N 0.08 0.47 -3.22 0.00 3.86 -0.86 -3.44 115.15 112.04 1va3 h HIS 619 Ca -0.00 -0.34 -0.57 0.00 -1.16 0.00 0.00 60.37 58.29 1va3 h HIS 619 Cb 0.98 -0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.06 1va3 h HIS 619 CO 0.01 1.36 -0.81 1.14 0.86 0.00 0.00 177.93 180.48 1va3 s GLN 620 N -2.63 1.85 -0.13 2.45 -2.07 -0.28 -5.03 119.66 113.83 1va3 s GLN 620 Ca -0.08 -0.50 -0.10 0.00 -1.82 0.00 0.00 55.36 52.86 1va3 s GLN 620 Cb 0.07 -1.97 -0.03 0.00 -1.09 0.00 0.00 33.01 29.98 1va3 s GLN 620 CO 0.86 -0.31 -0.20 0.09 -1.32 0.00 0.00 175.29 174.41 1va3 n ASN 621 N 4.83 1.53 -4.57 12.60 3.02 -1.25 -4.36 115.26 127.06 1va3 n ASN 621 Ca -0.14 0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 54.52 1va3 n ASN 621 Cb 0.49 -0.77 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1va3 s LYS 622 N -2.23 3.45 0.00 3.52 2.47 -1.26 -5.11 119.74 120.57 1va3 s LYS 622 Ca -0.17 -0.47 0.16 0.00 -1.56 0.00 0.00 55.97 53.93 1va3 s LYS 622 Cb 0.02 -2.89 0.93 0.00 -1.46 0.00 0.00 37.83 34.43 1va3 s LYS 622 CO 0.25 0.41 1.34 1.63 0.16 0.00 0.00 175.35 179.13