#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 -4.25 -3.77 1.64 3.00 -1.26 -4.99 118.16 108.54 1va3 n LYS 596 Ca 0.00 0.88 -0.26 0.00 -0.00 0.00 0.00 58.31 58.94 1va3 n LYS 596 Cb 0.00 -5.63 -0.17 0.00 0.00 0.00 0.00 35.03 29.23 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1va3 s PHE 597 N -3.13 0.93 0.00 5.64 0.08 -1.26 -5.09 117.98 115.14 1va3 s PHE 597 Ca 0.25 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1va3 s PHE 597 Cb -0.11 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1va3 s PHE 597 CO 0.31 -0.48 0.00 0.00 -0.10 0.00 0.00 175.22 174.95 1va3 n ALA 598 N 5.08 0.00 -3.22 5.36 0.00 -1.26 -2.40 120.51 124.07 1va3 n ALA 598 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1va3 n ALA 598 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 7.03 0.00 -0.70 0.00 0.13 -2.00 -3.24 132.00 133.22 1va3 h PRO 600 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1va3 h PRO 600 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1va3 h PRO 600 CO 0.57 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 1va3 n GLU 601 N -2.64 3.41 -3.88 0.86 -0.58 -1.26 -4.94 120.64 111.62 1va3 n GLU 601 Ca 0.05 -2.04 0.03 0.00 -0.42 0.00 0.00 57.16 54.77 1va3 n GLU 601 Cb 0.48 -1.94 0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.79 0.33 -1.78 0.00 -0.04 -1.26 -4.66 135.00 126.80 1va3 n PRO 603 Ca 0.00 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1va3 n PRO 603 Cb 0.60 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 4.10 0.22 0.54 3.01 -1.26 -4.94 119.74 118.21 1va3 s LYS 604 Ca 0.05 2.59 0.10 0.00 -1.01 0.00 0.00 55.97 57.70 1va3 s LYS 604 Cb 0.13 -2.98 -0.04 0.00 -1.01 0.00 0.00 37.83 33.92 1va3 s LYS 604 CO 0.75 -0.59 -0.11 1.03 0.51 0.00 0.00 175.35 176.95 1va3 s ARG 605 N -1.49 1.98 0.30 1.68 0.52 -1.26 -3.20 118.95 117.47 1va3 s ARG 605 Ca 0.57 -1.44 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1va3 s ARG 605 Cb -0.47 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 1va3 s ARG 605 CO 0.58 0.39 0.02 -0.06 0.02 0.00 0.00 175.30 176.24 1va3 s PHE 606 N -2.02 1.93 -0.16 -0.53 0.40 -1.01 -4.97 117.98 111.62 1va3 s PHE 606 Ca 0.27 -0.87 0.16 0.00 -0.60 0.00 0.00 56.93 55.89 1va3 s PHE 606 Cb -0.07 -1.20 0.35 0.00 0.51 0.00 0.00 43.02 42.60 1va3 s PHE 606 CO 0.16 0.09 1.19 -1.33 0.70 0.00 0.00 175.22 176.03 1va3 n MET 607 N -0.63 1.47 -3.58 0.44 2.81 -1.26 -4.46 117.12 111.90 1va3 n MET 607 Ca -0.04 -2.83 -0.11 0.00 -1.81 0.00 0.00 57.70 52.92 1va3 n MET 607 Cb 0.65 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.55 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 -3.00 0.60 -0.20 0.03 6.06 -1.26 -4.87 118.95 116.31 1va3 s ARG 608 Ca 0.35 0.22 0.10 0.00 -2.50 0.00 0.00 55.73 53.90 1va3 s ARG 608 Cb 0.31 0.28 0.65 0.00 0.06 0.00 0.00 34.95 36.26 1va3 s ARG 608 CO 0.00 -0.17 1.51 0.43 -2.50 0.00 0.00 175.30 174.57 1va3 n SER 609 N 0.97 4.70 -0.13 -2.12 7.64 -1.26 -3.80 113.62 119.62 1va3 n SER 609 Ca -0.11 -2.78 -0.20 0.00 1.01 0.00 0.00 58.87 56.78 1va3 n SER 609 Cb 0.58 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 1va3 n SER 609 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1va3 n ASP 610 N 0.40 2.01 0.05 6.43 -0.08 -1.26 -4.47 116.55 119.63 1va3 n ASP 610 Ca 0.24 -0.01 -0.05 0.00 -1.51 0.00 0.00 54.79 53.46 1va3 n ASP 610 Cb 1.04 -0.50 -0.10 0.00 2.34 0.00 0.00 41.12 43.90 1va3 n ASP 610 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1va3 h HIS 611 N -0.26 0.00 -0.02 -0.67 2.76 -2.01 -3.28 115.15 111.67 1va3 h HIS 611 Ca -0.59 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.59 1va3 h HIS 611 Cb 1.79 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.75 1va3 h HIS 611 CO -0.00 0.88 0.08 -0.07 -1.30 0.00 0.00 177.93 177.52 1va3 h LEU 612 N 0.00 0.00 -0.52 0.26 3.38 -1.80 -1.12 115.31 115.52 1va3 h LEU 612 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1va3 h LEU 612 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1va3 h LEU 612 CO 0.10 0.00 -0.18 0.28 0.09 0.00 0.00 178.44 178.72 1va3 h SER 613 N 0.00 1.03 0.62 -0.43 0.02 -1.78 -1.26 113.55 111.75 1va3 h SER 613 Ca 0.01 -0.38 -0.18 0.00 -0.84 0.00 0.00 61.79 60.40 1va3 h SER 613 Cb 0.17 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1va3 h SER 613 CO -0.00 1.18 -0.82 0.11 -1.14 0.00 0.00 176.83 176.15 1va3 h LYS 614 N 0.88 0.14 -0.14 3.45 1.57 -1.42 -2.34 116.57 118.71 1va3 h LYS 614 Ca 0.12 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1va3 h LYS 614 Cb 0.76 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1va3 h LYS 614 CO 0.06 0.88 -0.14 1.25 -0.57 0.00 0.00 179.45 180.94 1va3 h HIS 615 N 0.08 0.41 0.00 -1.35 2.76 -1.35 -3.12 115.15 112.57 1va3 h HIS 615 Ca -0.03 -0.12 -0.10 0.00 -2.20 0.00 0.00 60.37 57.92 1va3 h HIS 615 Cb 1.43 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.29 1va3 h HIS 615 CO 0.02 0.73 -0.46 0.82 -1.30 0.00 0.00 177.93 177.74 1va3 h ILE 616 N -0.04 1.32 -0.19 6.26 2.04 -1.29 -2.80 117.51 122.82 1va3 h ILE 616 Ca 0.02 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1va3 h ILE 616 Cb 0.66 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1va3 h ILE 616 CO 0.03 0.45 0.06 0.11 0.00 0.00 0.00 178.15 178.80 1va3 h LYS 617 N 0.00 0.26 0.01 2.37 1.57 -1.37 -1.69 116.57 117.71 1va3 h LYS 617 Ca -0.00 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1va3 h LYS 617 Cb 0.82 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1va3 h LYS 617 CO 0.06 0.23 -0.93 1.79 -0.57 0.00 0.00 179.45 180.03 1va3 h THR 618 N 0.26 1.64 0.00 -0.16 1.35 -1.44 -3.18 112.91 111.37 1va3 h THR 618 Ca 0.07 -3.10 -0.01 0.00 -0.55 0.00 0.00 66.41 62.82 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 -0.01 0.89 -0.04 0.45 -0.25 0.00 0.00 175.52 176.56 1va3 h HIS 619 N 0.01 0.00 -0.16 4.73 3.86 -1.22 -3.19 115.15 119.18 1va3 h HIS 619 Ca -0.02 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.51 1va3 h HIS 619 Cb 1.63 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.11 1va3 h HIS 619 CO 0.01 0.04 3.65 1.04 0.86 0.00 0.00 177.93 183.53 1va3 n GLN 620 N -4.18 3.80 0.00 2.45 1.13 -1.15 -3.83 117.38 115.60 1va3 n GLN 620 Ca -0.03 -2.38 0.00 0.00 -1.94 0.00 0.00 57.00 52.65 1va3 n GLN 620 Cb 0.12 -2.79 0.00 0.00 0.11 0.00 0.00 30.24 27.68 1va3 n GLN 620 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1va3 n ASN 621 N 3.41 0.24 -3.79 1.08 5.15 -1.21 -5.01 115.26 115.14 1va3 n ASN 621 Ca 0.76 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.44 1va3 n ASN 621 Cb 0.24 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.35 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1va3 s LYS 622 N -1.79 1.54 0.00 1.20 1.02 -1.25 -5.23 119.74 115.23 1va3 s LYS 622 Ca 0.00 -2.25 0.29 0.00 0.02 0.00 0.00 55.97 54.03 1va3 s LYS 622 Cb 0.00 -2.66 1.29 0.00 -0.52 0.00 0.00 37.83 35.94 1va3 s LYS 622 CO 0.00 -1.15 1.88 1.17 -0.92 0.00 0.00 175.35 176.33