#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 -1.66 0.00 1.64 5.02 -1.26 -4.56 118.16 117.35 1va3 n LYS 596 Ca 0.00 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 1va3 n LYS 596 Cb 0.00 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.40 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1va3 n PHE 597 N -3.47 -1.11 -1.98 2.13 3.72 -1.26 -5.01 117.46 110.48 1va3 n PHE 597 Ca -0.23 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1va3 n PHE 597 Cb 0.67 0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 39.40 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 n ALA 598 N -1.67 -2.77 -2.58 4.37 0.00 -1.26 -4.67 120.51 111.93 1va3 n ALA 598 Ca 0.00 0.31 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 1va3 n ALA 598 Cb 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 n PRO 600 N 5.08 1.00 -0.06 0.00 -0.04 -1.26 -3.34 135.00 136.37 1va3 n PRO 600 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1va3 n PRO 600 Cb 0.50 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.88 1.32 -4.39 0.54 -0.58 -1.26 -5.03 120.64 110.37 1va3 n GLU 601 Ca 0.18 -0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.69 1va3 n GLU 601 Cb 0.08 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1va3 s PRO 603 N -3.90 3.95 -0.29 0.00 0.04 -1.26 -4.61 135.00 128.93 1va3 s PRO 603 Ca 0.34 -2.42 -0.24 0.00 0.04 0.00 0.00 61.00 58.72 1va3 s PRO 603 Cb 0.07 -4.96 0.18 0.00 0.04 0.00 0.00 34.50 29.83 1va3 s PRO 603 CO 0.13 -1.71 1.35 -1.59 0.04 0.00 0.00 177.00 175.22 1va3 s LYS 604 N 1.58 0.15 0.31 4.56 -2.85 -1.26 -5.11 119.74 117.12 1va3 s LYS 604 Ca 0.38 0.19 -0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1va3 s LYS 604 Cb -0.04 0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1va3 s LYS 604 CO -0.03 -0.02 0.51 1.03 0.10 0.00 0.00 175.35 176.94 1va3 s ARG 605 N 0.14 3.51 0.23 1.78 1.81 -1.26 -2.62 118.95 122.53 1va3 s ARG 605 Ca 0.06 -0.31 0.09 0.00 -1.72 0.00 0.00 55.73 53.84 1va3 s ARG 605 Cb -0.05 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.70 1va3 s ARG 605 CO -0.14 0.21 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.48 1va3 s PHE 606 N -2.20 1.90 0.33 -0.53 0.40 -1.26 -4.86 117.98 111.76 1va3 s PHE 606 Ca 0.40 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1va3 s PHE 606 Cb -0.10 -0.86 0.61 0.00 0.51 0.00 0.00 43.02 43.17 1va3 s PHE 606 CO 0.34 0.48 1.96 0.52 0.70 0.00 0.00 175.22 179.21 1va3 h MET 607 N 2.46 0.89 0.00 0.44 2.86 -2.00 0.33 114.93 119.92 1va3 h MET 607 Ca -0.39 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1va3 h MET 607 Cb 1.23 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1va3 h MET 607 CO 0.61 0.59 0.00 -2.13 1.06 0.00 0.00 176.91 177.05 1va3 n ARG 608 N -4.46 0.00 -1.01 1.72 0.63 -1.26 -4.55 116.66 107.73 1va3 n ARG 608 Ca 0.10 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.91 1va3 n ARG 608 Cb 0.14 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.27 1va3 n ARG 608 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1va3 n SER 609 N -0.63 3.51 -0.07 6.15 2.88 -1.26 -4.22 113.62 119.98 1va3 n SER 609 Ca 0.00 -3.57 -0.21 0.00 -1.33 0.00 0.00 58.87 53.77 1va3 n SER 609 Cb 0.00 -0.74 -0.12 0.00 -0.75 0.00 0.00 64.21 62.60 1va3 n SER 609 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1va3 h ASP 610 N 1.34 0.12 0.35 -3.46 5.19 -2.00 -3.39 116.42 114.57 1va3 h ASP 610 Ca 0.39 -0.68 -0.24 0.00 -0.62 0.00 0.00 57.03 55.88 1va3 h ASP 610 Cb 2.29 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 41.71 1va3 h ASP 610 CO 0.75 1.51 -1.86 1.41 -3.12 0.00 0.00 179.24 177.92 1va3 n HIS 611 N -4.24 0.55 0.03 4.55 8.25 -1.26 -4.13 115.22 118.97 1va3 n HIS 611 Ca -0.28 0.19 0.22 0.00 -0.26 0.00 0.00 57.72 57.59 1va3 n HIS 611 Cb 0.75 -1.01 0.73 0.00 1.12 0.00 0.00 29.99 31.57 1va3 n HIS 611 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1va3 h LEU 612 N 0.00 0.00 -0.78 2.41 3.38 -1.78 0.10 115.31 118.65 1va3 h LEU 612 Ca -0.30 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1va3 h LEU 612 Cb 1.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 1va3 h LEU 612 CO 0.04 0.00 0.51 0.77 0.09 0.00 0.00 178.44 179.85 1va3 h SER 613 N 0.00 0.87 0.62 -0.43 4.64 -1.75 0.56 113.55 118.06 1va3 h SER 613 Ca 0.25 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 1va3 h SER 613 Cb 1.26 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1va3 h SER 613 CO -0.00 0.62 -0.83 0.11 -0.87 0.00 0.00 176.83 175.86 1va3 h LYS 614 N 1.03 0.14 -0.14 4.77 1.79 -1.07 -2.12 116.57 120.97 1va3 h LYS 614 Ca 0.29 -0.15 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 1va3 h LYS 614 Cb -0.08 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1va3 h LYS 614 CO -0.08 0.89 -0.42 1.25 -1.08 0.00 0.00 179.45 180.01 1va3 h HIS 615 N 0.08 0.69 0.00 -1.35 2.76 -0.97 -3.19 115.15 113.16 1va3 h HIS 615 Ca -0.03 -0.27 -0.11 0.00 -2.20 0.00 0.00 60.37 57.75 1va3 h HIS 615 Cb 1.44 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.27 1va3 h HIS 615 CO 0.02 1.03 -0.53 0.82 -1.30 0.00 0.00 177.93 177.97 1va3 h ILE 616 N 0.15 1.37 -0.28 6.26 2.04 0.05 -2.92 117.51 124.17 1va3 h ILE 616 Ca -0.01 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 64.03 1va3 h ILE 616 Cb 1.04 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1va3 h ILE 616 CO 0.09 0.52 0.19 0.11 0.00 0.00 0.00 178.15 179.06 1va3 h LYS 617 N 0.00 0.28 0.01 2.37 1.57 -1.37 -1.11 116.57 118.32 1va3 h LYS 617 Ca -0.01 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1va3 h LYS 617 Cb 0.95 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1va3 h LYS 617 CO 0.07 0.19 -0.93 1.79 -0.57 0.00 0.00 179.45 179.99 1va3 h THR 618 N 0.29 1.63 0.00 -0.16 1.35 -1.54 -3.20 112.91 111.29 1va3 h THR 618 Ca 0.11 -3.08 -0.03 0.00 -0.55 0.00 0.00 66.41 62.87 1va3 h THR 618 Cb 0.09 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1va3 h THR 618 CO -0.02 0.88 -0.12 0.45 -0.25 0.00 0.00 175.52 176.46 1va3 h HIS 619 N 0.02 0.00 -4.07 4.73 3.86 -1.17 -3.44 115.15 115.08 1va3 h HIS 619 Ca -0.02 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.72 1va3 h HIS 619 Cb 1.63 0.00 0.14 0.00 1.06 0.00 0.00 27.41 30.24 1va3 h HIS 619 CO 0.01 0.12 0.25 -0.65 0.86 0.00 0.00 177.93 178.52 1va3 s GLN 620 N -4.76 1.02 -0.75 2.45 -0.21 -1.09 -4.95 119.66 111.36 1va3 s GLN 620 Ca -0.04 0.54 -0.24 0.00 0.02 0.00 0.00 55.36 55.64 1va3 s GLN 620 Cb 0.16 -1.80 0.06 0.00 1.00 0.00 0.00 33.01 32.42 1va3 s GLN 620 CO 0.68 -2.33 1.15 -0.80 -2.12 0.00 0.00 175.29 171.87 1va3 s ASN 621 N -3.66 6.24 -0.77 5.90 -0.87 -1.26 -4.97 114.94 115.55 1va3 s ASN 621 Ca 0.64 -0.92 -0.25 0.00 -1.57 0.00 0.00 52.86 50.75 1va3 s ASN 621 Cb -0.17 -2.49 0.05 0.00 -0.02 0.00 0.00 41.25 38.62 1va3 s ASN 621 CO 0.56 -1.57 1.23 -0.75 -2.57 0.00 0.00 177.10 173.99 1va3 s LYS 622 N 4.70 3.25 0.00 -0.60 2.20 -1.26 -5.19 119.74 122.84 1va3 s LYS 622 Ca 0.31 -0.56 0.17 0.00 -0.36 0.00 0.00 55.97 55.52 1va3 s LYS 622 Cb -0.11 -4.39 1.01 0.00 -1.51 0.00 0.00 37.83 32.84 1va3 s LYS 622 CO 0.08 -2.07 1.42 0.36 -0.36 0.00 0.00 175.35 174.78