#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 -4.27 -3.77 1.64 4.81 -1.26 -4.93 118.16 110.38 1va3 n LYS 596 Ca 0.00 0.92 -0.15 0.00 -0.87 0.00 0.00 58.31 58.21 1va3 n LYS 596 Cb 0.00 -5.73 -0.16 0.00 0.02 0.00 0.00 35.03 29.16 1va3 n LYS 596 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1va3 s PHE 597 N -3.15 0.01 0.34 5.64 5.36 -1.26 -5.15 117.98 119.77 1va3 s PHE 597 Ca 0.24 0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1va3 s PHE 597 Cb -0.11 -0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1va3 s PHE 597 CO 0.30 -0.10 0.51 0.00 -1.46 0.00 0.00 175.22 174.48 1va3 s ALA 598 N 1.12 0.50 -0.28 11.12 0.00 -1.26 -3.27 121.76 129.69 1va3 s ALA 598 Ca -0.09 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 1va3 s ALA 598 Cb -0.13 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1va3 s ALA 598 CO -0.03 -0.82 0.31 0.00 0.00 0.00 0.00 175.76 175.22 1va3 n PRO 600 N 5.25 0.22 -0.02 0.00 -0.04 -1.26 -3.13 135.00 136.02 1va3 n PRO 600 Ca -0.10 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1va3 n PRO 600 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.37 0.64 -4.37 0.54 -0.58 -1.26 -4.99 120.64 109.25 1va3 n GLU 601 Ca 0.10 0.15 -0.20 0.00 -0.42 0.00 0.00 57.16 56.79 1va3 n GLU 601 Cb 0.23 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.30 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 -0.62 2.18 -1.56 0.00 -0.04 -1.26 -4.54 135.00 129.15 1va3 n PRO 603 Ca -0.01 -1.34 -0.30 0.00 -0.04 0.00 0.00 63.50 61.81 1va3 n PRO 603 Cb 0.65 -1.48 0.23 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.64 -0.52 -0.08 0.54 -0.14 -1.26 -5.02 119.74 111.62 1va3 s LYS 604 Ca 0.24 -0.40 -0.20 0.00 -1.36 0.00 0.00 55.97 54.25 1va3 s LYS 604 Cb 0.15 -1.71 0.04 0.00 -1.68 0.00 0.00 37.83 34.63 1va3 s LYS 604 CO 0.13 -3.19 0.47 1.03 -0.76 0.00 0.00 175.35 173.03 1va3 s ARG 605 N -5.78 0.75 0.05 1.68 0.52 -1.26 -3.97 118.95 110.95 1va3 s ARG 605 Ca 0.75 0.21 0.04 0.00 -0.52 0.00 0.00 55.73 56.21 1va3 s ARG 605 Cb -0.04 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 1va3 s ARG 605 CO 0.55 -0.19 -0.12 -0.06 0.02 0.00 0.00 175.30 175.50 1va3 s PHE 606 N -0.80 1.03 -0.35 -0.53 0.40 -1.20 -5.00 117.98 111.52 1va3 s PHE 606 Ca -0.09 -0.44 0.10 0.00 -0.60 0.00 0.00 56.93 55.90 1va3 s PHE 606 Cb -0.03 -0.60 0.68 0.00 0.51 0.00 0.00 43.02 43.58 1va3 s PHE 606 CO 0.05 0.01 1.65 -0.12 0.70 0.00 0.00 175.22 177.51 1va3 n MET 607 N 1.50 3.76 -3.95 0.44 1.56 -1.26 -3.60 117.12 115.56 1va3 n MET 607 Ca -0.21 -2.72 -0.10 0.00 -0.27 0.00 0.00 57.70 54.40 1va3 n MET 607 Cb 0.54 -2.13 -0.03 0.00 2.15 0.00 0.00 33.22 33.75 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 -2.64 1.79 -0.03 2.12 3.00 -1.26 -4.25 118.95 117.68 1va3 s ARG 608 Ca 0.48 -1.33 0.08 0.00 0.00 0.00 0.00 55.73 54.96 1va3 s ARG 608 Cb 0.38 0.52 -0.12 0.00 0.00 0.00 0.00 34.95 35.73 1va3 s ARG 608 CO 0.13 -0.78 0.14 -1.13 0.00 0.00 0.00 175.30 173.66 1va3 n SER 609 N -0.78 3.11 -0.05 0.23 3.41 -1.26 -4.22 113.62 114.05 1va3 n SER 609 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 1va3 n SER 609 Cb 0.61 1.19 -0.06 0.00 -0.26 0.00 0.00 64.21 65.69 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 -0.02 4.04 3.58 -2.00 -2.52 116.42 119.76 1va3 h ASP 610 Ca -0.06 -0.30 -0.23 0.00 0.42 0.00 0.00 57.03 56.87 1va3 h ASP 610 Cb 0.68 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.67 1va3 h ASP 610 CO 0.00 0.49 -0.84 0.45 -2.88 0.00 0.00 179.24 176.47 1va3 h HIS 611 N 0.02 0.95 0.00 0.28 3.86 -2.01 -3.00 115.15 115.25 1va3 h HIS 611 Ca 0.04 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1va3 h HIS 611 Cb 0.35 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1va3 h HIS 611 CO 0.03 1.27 0.00 1.25 0.86 0.00 0.00 177.93 181.34 1va3 h LEU 612 N 0.45 0.00 -0.04 2.43 6.46 -1.72 -1.87 115.31 121.01 1va3 h LEU 612 Ca -0.07 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.49 1va3 h LEU 612 Cb 1.46 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.41 1va3 h LEU 612 CO 0.16 0.00 -0.78 0.77 -0.62 0.00 0.00 178.44 177.98 1va3 h SER 613 N 0.00 0.74 0.63 1.25 4.64 -1.30 -2.90 113.55 116.62 1va3 h SER 613 Ca 0.00 -0.72 -0.19 0.00 -0.47 0.00 0.00 61.79 60.42 1va3 h SER 613 Cb 0.09 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1va3 h SER 613 CO 0.00 1.36 -0.84 0.50 -0.87 0.00 0.00 176.83 176.98 1va3 h LYS 614 N 0.20 0.14 -0.31 4.77 3.64 -1.46 -2.93 116.57 120.62 1va3 h LYS 614 Ca -0.09 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1va3 h LYS 614 Cb 1.44 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1va3 h LYS 614 CO 0.15 0.89 0.12 1.25 -2.27 0.00 0.00 179.45 179.60 1va3 h HIS 615 N 0.08 0.48 0.00 1.91 2.76 -1.43 -2.71 115.15 116.24 1va3 h HIS 615 Ca -0.03 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.01 1va3 h HIS 615 Cb 1.45 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 1va3 h HIS 615 CO 0.02 0.46 -0.44 0.82 -1.30 0.00 0.00 177.93 177.49 1va3 h ILE 616 N 0.35 1.30 -0.10 6.26 2.04 -1.56 -2.74 117.51 123.07 1va3 h ILE 616 Ca 0.10 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1va3 h ILE 616 Cb 0.19 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1va3 h ILE 616 CO -0.01 0.43 0.02 0.11 0.00 0.00 0.00 178.15 178.70 1va3 h LYS 617 N 0.00 0.14 0.00 2.37 1.79 -1.29 -1.55 116.57 118.03 1va3 h LYS 617 Ca -0.00 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 1va3 h LYS 617 Cb 0.78 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1va3 h LYS 617 CO 0.06 0.14 -0.92 1.79 -1.08 0.00 0.00 179.45 179.44 1va3 h THR 618 N 0.14 1.59 0.00 -0.16 1.35 -1.35 -3.22 112.91 111.27 1va3 h THR 618 Ca 0.04 -3.21 -0.00 0.00 -0.55 0.00 0.00 66.41 62.68 1va3 h THR 618 Cb 0.07 2.76 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1va3 h THR 618 CO -0.00 0.90 -0.02 0.45 -0.25 0.00 0.00 175.52 176.60 1va3 h HIS 619 N 0.00 0.00 -3.19 4.73 3.86 -1.20 -3.42 115.15 115.93 1va3 h HIS 619 Ca -0.01 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1va3 h HIS 619 Cb 1.69 0.00 0.05 0.00 1.06 0.00 0.00 27.41 30.21 1va3 h HIS 619 CO 0.00 0.02 0.80 -0.65 0.86 0.00 0.00 177.93 178.96 1va3 s GLN 620 N -4.91 4.25 -0.01 2.45 -0.21 -1.17 -4.91 119.66 115.15 1va3 s GLN 620 Ca -0.05 2.32 -0.00 0.00 0.02 0.00 0.00 55.36 57.65 1va3 s GLN 620 Cb 0.16 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.04 1va3 s GLN 620 CO 0.64 -0.49 -0.01 0.27 -2.12 0.00 0.00 175.29 173.58 1va3 n ASN 621 N 2.91 2.15 -4.47 5.90 6.94 -1.26 -4.94 115.26 122.49 1va3 n ASN 621 Ca 0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.23 1va3 n ASN 621 Cb 0.40 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.76 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 -2.02 3.20 0.00 -3.83 2.20 -1.26 -5.25 119.74 112.78 1va3 s LYS 622 Ca -0.01 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 1va3 s LYS 622 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 1va3 s LYS 622 CO 0.02 -1.86 0.22 1.17 -0.36 0.00 0.00 175.35 174.54