#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 -2.37 -3.09 1.64 3.00 -1.26 -4.94 118.16 111.14 1va3 n LYS 596 Ca 0.00 0.92 -0.09 0.00 -0.00 0.00 0.00 58.31 59.14 1va3 n LYS 596 Cb 0.00 -5.54 -0.03 0.00 0.00 0.00 0.00 35.03 29.47 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 -3.01 -0.98 0.27 5.64 5.36 -1.26 -5.15 117.98 118.84 1va3 s PHE 597 Ca 0.08 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 1va3 s PHE 597 Cb -0.03 -0.01 -0.06 0.00 -0.34 0.00 0.00 43.02 42.58 1va3 s PHE 597 CO 0.09 -1.13 -0.00 0.00 -1.46 0.00 0.00 175.22 172.72 1va3 s ALA 598 N 1.10 2.08 0.05 11.12 0.00 -1.26 -3.35 121.76 131.50 1va3 s ALA 598 Ca 0.24 -1.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 1va3 s ALA 598 Cb -0.03 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1va3 s ALA 598 CO -0.07 -0.21 1.05 0.00 0.00 0.00 0.00 175.76 176.52 1va3 h PRO 600 N 6.41 0.00 0.00 0.00 0.13 -1.99 -3.28 132.00 133.27 1va3 h PRO 600 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1va3 h PRO 600 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1va3 h PRO 600 CO 0.76 0.74 -0.30 0.93 -0.23 0.00 0.00 178.00 179.90 1va3 h GLU 601 N 0.00 0.00 -4.94 0.86 5.08 -1.97 -3.46 114.58 110.15 1va3 h GLU 601 Ca -0.04 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.84 1va3 h GLU 601 Cb 1.65 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.77 1va3 h GLU 601 CO 0.10 0.30 -0.53 0.00 -1.00 0.00 0.00 179.01 177.89 1va3 n PRO 603 N -0.71 0.33 -1.79 0.00 -0.04 -1.26 -4.58 135.00 126.95 1va3 n PRO 603 Ca 0.00 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1va3 n PRO 603 Cb 0.64 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.20 4.15 0.07 0.54 -0.14 -1.26 -4.92 119.74 114.99 1va3 s LYS 604 Ca 0.05 2.53 0.04 0.00 -1.36 0.00 0.00 55.97 57.23 1va3 s LYS 604 Cb 0.13 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1va3 s LYS 604 CO 0.75 -0.73 0.01 1.03 -0.76 0.00 0.00 175.35 175.65 1va3 s ARG 605 N 1.49 2.65 0.03 1.68 0.52 -1.26 -3.17 118.95 120.90 1va3 s ARG 605 Ca 0.75 -0.77 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 1va3 s ARG 605 Cb -0.47 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1va3 s ARG 605 CO 0.32 0.56 -0.23 -0.06 0.02 0.00 0.00 175.30 175.92 1va3 s PHE 606 N -1.29 2.43 -0.38 -0.53 0.40 -1.21 -4.99 117.98 112.41 1va3 s PHE 606 Ca 0.25 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1va3 s PHE 606 Cb -0.12 -1.44 0.62 0.00 0.51 0.00 0.00 43.02 42.59 1va3 s PHE 606 CO 0.18 0.17 1.77 -1.33 0.70 0.00 0.00 175.22 176.70 1va3 n MET 607 N 1.77 2.59 -3.83 0.44 2.81 -1.26 -3.87 117.12 115.76 1va3 n MET 607 Ca -0.17 -2.68 -0.07 0.00 -1.81 0.00 0.00 57.70 52.98 1va3 n MET 607 Cb 0.52 -2.07 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.83 1.88 -0.06 0.03 6.06 -1.26 -4.92 118.95 117.84 1va3 s ARG 608 Ca 0.50 -1.11 0.10 0.00 -2.50 0.00 0.00 55.73 52.72 1va3 s ARG 608 Cb 0.41 0.59 -0.15 0.00 0.06 0.00 0.00 34.95 35.86 1va3 s ARG 608 CO 0.11 -0.87 0.14 0.43 -2.50 0.00 0.00 175.30 172.60 1va3 n SER 609 N -0.82 2.50 -0.05 -2.12 7.64 -1.26 -4.12 113.62 115.39 1va3 n SER 609 Ca -0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 1va3 n SER 609 Cb 0.59 1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 64.85 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1va3 h ASP 610 N 0.00 0.29 0.34 6.43 3.58 -2.01 -2.90 116.42 122.15 1va3 h ASP 610 Ca -0.14 -0.38 -0.18 0.00 0.42 0.00 0.00 57.03 56.75 1va3 h ASP 610 Cb 1.07 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1va3 h ASP 610 CO 0.01 0.60 -0.76 0.45 -2.88 0.00 0.00 179.24 176.66 1va3 h HIS 611 N -0.02 0.47 0.00 0.28 3.86 -2.00 -2.97 115.15 114.77 1va3 h HIS 611 Ca 0.04 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1va3 h HIS 611 Cb 0.48 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1va3 h HIS 611 CO 0.05 0.98 0.00 1.25 0.86 0.00 0.00 177.93 181.07 1va3 h LEU 612 N 0.23 0.00 0.02 2.43 6.46 -1.70 -2.11 115.31 120.63 1va3 h LEU 612 Ca -0.03 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.48 1va3 h LEU 612 Cb 1.34 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.29 1va3 h LEU 612 CO 0.13 0.00 -0.99 0.77 -0.62 0.00 0.00 178.44 177.73 1va3 h SER 613 N 0.00 0.84 0.61 1.25 4.64 -1.34 -2.93 113.55 116.63 1va3 h SER 613 Ca 0.00 -0.76 -0.18 0.00 -0.47 0.00 0.00 61.79 60.38 1va3 h SER 613 Cb 0.14 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1va3 h SER 613 CO 0.00 1.49 -0.83 0.50 -0.87 0.00 0.00 176.83 177.12 1va3 h LYS 614 N 0.28 0.15 -0.14 4.77 3.11 -1.51 -2.71 116.57 120.52 1va3 h LYS 614 Ca -0.13 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 1va3 h LYS 614 Cb 1.66 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.93 1va3 h LYS 614 CO 0.19 0.89 0.04 1.25 -2.81 0.00 0.00 179.45 179.02 1va3 h HIS 615 N 0.09 0.22 -0.07 1.91 2.76 -1.48 -2.79 115.15 115.79 1va3 h HIS 615 Ca -0.03 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.02 1va3 h HIS 615 Cb 1.44 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1va3 h HIS 615 CO 0.02 0.35 -0.42 0.82 -1.30 0.00 0.00 177.93 177.40 1va3 h ILE 616 N 0.04 1.31 -0.36 6.26 2.04 -1.58 -2.80 117.51 122.42 1va3 h ILE 616 Ca 0.04 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 1va3 h ILE 616 Cb 0.23 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1va3 h ILE 616 CO -0.00 0.44 0.19 0.11 0.00 0.00 0.00 178.15 178.89 1va3 h LYS 617 N 0.12 0.49 0.00 2.37 1.79 -1.29 -1.74 116.57 118.31 1va3 h LYS 617 Ca 0.01 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.26 1va3 h LYS 617 Cb 0.79 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1va3 h LYS 617 CO 0.06 0.37 -0.83 1.79 -1.08 0.00 0.00 179.45 179.76 1va3 h THR 618 N 0.49 1.54 -0.16 -0.16 1.35 -1.24 -3.15 112.91 111.58 1va3 h THR 618 Ca 0.13 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1va3 h THR 618 Cb 0.03 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1va3 h THR 618 CO -0.02 0.77 0.11 0.45 -0.25 0.00 0.00 175.52 176.58 1va3 h HIS 619 N 0.05 0.19 -3.52 4.73 3.86 -1.20 -3.41 115.15 115.85 1va3 h HIS 619 Ca -0.02 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 1va3 h HIS 619 Cb 1.44 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.83 1va3 h HIS 619 CO 0.01 0.12 0.30 -0.65 0.86 0.00 0.00 177.93 178.57 1va3 s GLN 620 N -5.23 4.63 0.00 2.45 -0.21 -1.15 -4.88 119.66 115.28 1va3 s GLN 620 Ca -0.06 1.34 0.00 0.00 0.02 0.00 0.00 55.36 56.65 1va3 s GLN 620 Cb 0.17 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.81 1va3 s GLN 620 CO 0.69 0.23 0.00 0.27 -2.12 0.00 0.00 175.29 174.36 1va3 n ASN 621 N 2.83 0.00 -4.67 5.90 6.94 -1.26 -5.00 115.26 119.99 1va3 n ASN 621 Ca 0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.15 1va3 n ASN 621 Cb 0.50 0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1va3 s LYS 622 N -1.79 4.31 0.00 -3.83 2.20 -1.26 -5.25 119.74 114.11 1va3 s LYS 622 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1va3 s LYS 622 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1va3 s LYS 622 CO 0.00 -0.42 0.00 1.17 -0.36 0.00 0.00 175.35 175.74