#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 0.62 -0.00 -1.58 4.81 -1.26 -5.05 118.16 115.70 1va3 n LYS 596 Ca 0.00 -1.44 -0.00 0.00 -0.87 0.00 0.00 58.31 56.00 1va3 n LYS 596 Cb 0.00 -0.93 -0.00 0.00 0.02 0.00 0.00 35.03 34.11 1va3 n LYS 596 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1va3 h PHE 597 N 3.34 -0.02 -3.24 5.64 0.04 -1.97 -3.50 116.94 117.23 1va3 h PHE 597 Ca -0.18 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 60.96 1va3 h PHE 597 Cb 1.11 0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.14 1va3 h PHE 597 CO 0.04 -0.01 -0.76 0.00 -0.60 0.00 0.00 178.31 176.97 1va3 n ALA 598 N -2.20 -3.73 -2.62 2.45 0.00 -1.26 -4.78 120.51 108.36 1va3 n ALA 598 Ca -0.00 0.60 -0.38 0.00 0.00 0.00 0.00 53.44 53.66 1va3 n ALA 598 Cb 0.01 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 h PRO 600 N 5.94 0.00 0.00 0.00 0.13 -1.91 -3.31 132.00 132.84 1va3 h PRO 600 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1va3 h PRO 600 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1va3 h PRO 600 CO 0.70 0.59 -0.68 0.93 -0.23 0.00 0.00 178.00 179.31 1va3 h GLU 601 N 0.00 0.00 -4.96 0.86 4.39 -1.99 -3.47 114.58 109.41 1va3 h GLU 601 Ca -0.07 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.15 1va3 h GLU 601 Cb 1.61 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.12 1va3 h GLU 601 CO 0.08 0.68 -0.54 0.00 -1.16 0.00 0.00 179.01 178.07 1va3 n PRO 603 N -0.71 2.55 -2.02 0.00 -0.04 -1.26 -4.46 135.00 129.05 1va3 n PRO 603 Ca -0.01 -1.78 -0.29 0.00 -0.04 0.00 0.00 63.50 61.39 1va3 n PRO 603 Cb 0.65 -1.82 0.15 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 -1.96 1.08 -0.06 0.54 1.02 -1.26 -4.98 119.74 114.13 1va3 s LYS 604 Ca 0.32 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.83 1va3 s LYS 604 Cb 0.26 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1va3 s LYS 604 CO 0.08 -2.09 0.22 1.03 -0.92 0.00 0.00 175.35 173.67 1va3 s ARG 605 N -5.71 0.38 0.07 1.68 0.52 -1.26 -3.03 118.95 111.60 1va3 s ARG 605 Ca 0.70 0.08 0.05 0.00 -0.52 0.00 0.00 55.73 56.05 1va3 s ARG 605 Cb -0.06 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1va3 s ARG 605 CO 0.51 -0.07 -0.15 -0.06 0.02 0.00 0.00 175.30 175.55 1va3 s PHE 606 N -0.44 1.26 -0.42 -0.53 0.40 -1.26 -4.94 117.98 112.06 1va3 s PHE 606 Ca -0.05 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1va3 s PHE 606 Cb -0.04 -0.71 0.63 0.00 0.51 0.00 0.00 43.02 43.42 1va3 s PHE 606 CO 0.01 0.07 1.86 -0.12 0.70 0.00 0.00 175.22 177.74 1va3 n MET 607 N 1.25 2.22 -3.64 0.44 1.56 -1.26 -4.35 117.12 113.34 1va3 n MET 607 Ca -0.21 -2.83 -0.04 0.00 -0.27 0.00 0.00 57.70 54.35 1va3 n MET 607 Cb 0.54 -2.11 -0.06 0.00 2.15 0.00 0.00 33.22 33.74 1va3 n MET 607 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1va3 s ARG 608 N -3.09 0.18 0.18 2.12 3.52 -1.26 -5.04 118.95 115.56 1va3 s ARG 608 Ca 0.53 0.17 0.13 0.00 -0.13 0.00 0.00 55.73 56.43 1va3 s ARG 608 Cb 0.45 0.09 -0.07 0.00 -1.56 0.00 0.00 34.95 33.86 1va3 s ARG 608 CO 0.10 -0.03 1.25 0.77 -0.81 0.00 0.00 175.30 176.59 1va3 h SER 609 N 3.16 0.00 -0.30 -2.12 0.02 -1.98 -2.96 113.55 109.38 1va3 h SER 609 Ca -0.24 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1va3 h SER 609 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1va3 h SER 609 CO 0.18 0.69 0.14 -0.78 -1.14 0.00 0.00 176.83 175.92 1va3 h ASP 610 N 0.00 0.20 0.53 3.07 1.82 -2.01 -2.16 116.42 117.86 1va3 h ASP 610 Ca -0.05 0.02 -0.24 0.00 -0.39 0.00 0.00 57.03 56.37 1va3 h ASP 610 Cb 1.57 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.56 1va3 h ASP 610 CO 0.08 0.15 -1.08 0.45 -1.61 0.00 0.00 179.24 177.24 1va3 h HIS 611 N 0.29 0.49 0.00 0.28 3.86 -1.99 -3.16 115.15 114.92 1va3 h HIS 611 Ca 0.12 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1va3 h HIS 611 Cb 0.05 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1va3 h HIS 611 CO -0.10 1.18 0.00 1.25 0.86 0.00 0.00 177.93 181.12 1va3 h LEU 612 N 0.13 0.00 -0.20 2.43 6.46 -1.32 -1.74 115.31 121.08 1va3 h LEU 612 Ca -0.10 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.50 1va3 h LEU 612 Cb 1.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 1va3 h LEU 612 CO 0.18 0.00 -0.51 -1.28 -0.62 0.00 0.00 178.44 176.21 1va3 h SER 613 N 0.00 0.79 0.12 1.25 0.87 -1.36 -2.92 113.55 112.31 1va3 h SER 613 Ca 0.00 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 59.92 1va3 h SER 613 Cb 0.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1va3 h SER 613 CO 0.00 1.22 -0.23 0.50 -0.53 0.00 0.00 176.83 177.79 1va3 h LYS 614 N 0.40 0.20 -0.09 2.24 3.64 -1.47 -2.94 116.57 118.56 1va3 h LYS 614 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1va3 h LYS 614 Cb 1.13 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1va3 h LYS 614 CO 0.11 0.43 -0.01 1.25 -2.27 0.00 0.00 179.45 178.96 1va3 h HIS 615 N 0.19 0.18 -0.10 1.91 2.76 -1.49 -2.97 115.15 115.64 1va3 h HIS 615 Ca 0.03 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1va3 h HIS 615 Cb 0.52 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1va3 h HIS 615 CO 0.01 0.46 0.07 0.82 -1.30 0.00 0.00 177.93 177.98 1va3 h ILE 616 N -0.14 0.93 -0.22 6.26 1.08 -1.40 -2.51 117.51 121.51 1va3 h ILE 616 Ca 0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1va3 h ILE 616 Cb 0.39 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 1va3 h ILE 616 CO 0.01 0.00 -0.09 0.11 -0.69 0.00 0.00 178.15 177.48 1va3 h LYS 617 N 0.00 -0.06 -0.04 2.37 6.56 -1.35 -1.22 116.57 122.84 1va3 h LYS 617 Ca 0.05 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.55 1va3 h LYS 617 Cb 0.18 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1va3 h LYS 617 CO -0.00 -0.04 -0.38 0.00 -2.06 0.00 0.00 179.45 176.97 1va3 h THR 618 N -0.06 1.28 -0.80 -0.16 1.03 -1.52 -0.01 112.91 112.67 1va3 h THR 618 Ca 0.12 -1.36 -0.04 0.00 -0.01 0.00 0.00 66.41 65.12 1va3 h THR 618 Cb 0.23 1.69 -0.04 0.00 -1.07 0.00 0.00 68.15 68.96 1va3 h THR 618 CO -0.26 0.39 0.35 0.45 -0.01 0.00 0.00 175.52 176.45 1va3 h HIS 619 N 0.06 1.19 0.00 0.00 3.86 -1.06 -3.25 115.15 115.95 1va3 h HIS 619 Ca 0.00 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1va3 h HIS 619 Cb 0.71 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1va3 h HIS 619 CO 0.00 0.88 -0.36 1.96 0.86 0.00 0.00 177.93 181.28 1va3 h GLN 620 N 1.15 0.00 -5.04 2.45 1.08 -1.06 -3.50 115.11 110.19 1va3 h GLN 620 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1va3 h GLN 620 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1va3 h GLN 620 CO -0.03 0.90 -0.69 -1.71 -0.95 0.00 0.00 178.83 176.35 1va3 n ASN 621 N -4.57 -7.55 -4.70 1.46 2.85 -0.04 -4.93 115.26 97.78 1va3 n ASN 621 Ca -0.15 0.92 -0.42 0.00 -0.11 0.00 0.00 54.58 54.81 1va3 n ASN 621 Cb 0.49 -5.05 -0.03 0.00 1.24 0.00 0.00 39.78 36.44 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1va3 s LYS 622 N -2.00 4.42 0.00 1.20 2.36 -1.26 -5.11 119.74 119.34 1va3 s LYS 622 Ca 0.11 1.66 0.14 0.00 -2.55 0.00 0.00 55.97 55.34 1va3 s LYS 622 Cb -0.03 -3.46 0.11 0.00 -1.05 0.00 0.00 37.83 33.40 1va3 s LYS 622 CO 0.72 -0.31 0.94 1.63 1.55 0.00 0.00 175.35 179.88