#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4x s GLU 602 N 0.00 3.47 0.10 5.55 2.02 -1.26 -5.02 118.70 123.56 1v4x s GLU 602 Ca 0.00 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 1v4x s GLU 602 Cb 0.00 -3.83 -0.07 0.00 0.10 0.00 0.00 34.13 30.33 1v4x s GLU 602 CO 0.00 -0.58 0.56 -1.58 0.02 0.00 0.00 175.26 173.68 1v4x s TRP 603 N 2.01 3.73 0.50 1.61 0.52 -1.26 -5.09 118.94 120.96 1v4x s TRP 603 Ca 0.11 1.19 -0.05 0.00 0.02 0.00 0.00 56.10 57.37 1v4x s TRP 603 Cb -0.17 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 1v4x s TRP 603 CO 0.12 0.53 0.80 0.95 0.02 0.00 0.00 176.95 179.37 1v4x s THR 604 N -1.24 4.52 0.32 2.01 -4.23 -1.26 -4.96 115.64 110.81 1v4x s THR 604 Ca 0.32 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1v4x s THR 604 Cb -0.18 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.20 1v4x s THR 604 CO 0.19 -0.70 1.97 -0.61 -0.54 0.00 0.00 174.62 174.93 1v4x h GLN 605 N 0.15 0.95 -0.26 3.99 5.75 -1.99 -2.08 115.11 121.61 1v4x h GLN 605 Ca -0.47 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.00 1v4x h GLN 605 Cb 1.22 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 1v4x h GLN 605 CO 0.61 0.63 0.12 0.37 -2.65 0.00 0.00 178.83 177.90 1v4x h GLN 606 N 0.97 0.25 -0.09 1.69 4.15 -1.98 0.26 115.11 120.36 1v4x h GLN 606 Ca 0.30 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.72 1v4x h GLN 606 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1v4x h GLN 606 CO -0.08 0.17 -0.05 0.93 -1.93 0.00 0.00 178.83 177.87 1v4x h GLU 607 N 0.26 -0.04 -0.54 1.69 5.08 -1.87 0.78 114.58 119.94 1v4x h GLU 607 Ca 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1v4x h GLU 607 Cb 0.05 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1v4x h GLU 607 CO -0.09 -0.03 0.35 0.00 -1.00 0.00 0.00 179.01 178.25 1v4x h ARG 608 N -0.04 0.69 -0.62 2.33 3.08 -1.11 -1.70 114.38 117.01 1v4x h ARG 608 Ca 0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1v4x h ARG 608 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1v4x h ARG 608 CO -0.12 0.46 0.24 1.03 -1.07 0.00 0.00 179.97 180.51 1v4x h SER 609 N 0.71 0.86 -0.22 7.04 0.87 -0.72 -0.15 113.55 121.94 1v4x h SER 609 Ca 0.20 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1v4x h SER 609 Cb -0.05 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1v4x h SER 609 CO -0.06 0.80 0.10 0.40 -0.53 0.00 0.00 176.83 177.54 1v4x h ILE 610 N 0.86 0.98 -0.09 2.23 2.04 -0.59 0.44 117.51 123.39 1v4x h ILE 610 Ca 0.21 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1v4x h ILE 610 Cb 0.21 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1v4x h ILE 610 CO -0.02 0.04 0.05 0.40 0.00 0.00 0.00 178.15 178.62 1v4x h ILE 611 N 0.21 1.08 -0.92 -0.67 1.08 -1.21 0.59 117.51 117.66 1v4x h ILE 611 Ca 0.09 -0.21 0.12 0.00 -0.39 0.00 0.00 64.86 64.47 1v4x h ILE 611 Cb 0.03 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 1v4x h ILE 611 CO -0.07 0.07 0.54 0.00 -0.69 0.00 0.00 178.15 178.00 1v4x h ALA 612 N 0.97 1.38 -0.18 1.87 0.00 -0.95 -2.40 119.26 119.95 1v4x h ALA 612 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1v4x h ALA 612 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1v4x h ALA 612 CO -0.01 0.10 -0.29 0.78 0.00 0.00 0.00 179.25 179.83 1v4x h GLY 613 N 0.84 0.37 0.94 0.00 0.00 0.15 -0.53 103.07 104.85 1v4x h GLY 613 Ca 0.47 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1v4x h GLY 613 CO -0.29 0.28 -0.05 -2.22 0.00 0.00 0.00 176.54 174.26 1v4x h ILE 614 N 0.30 1.27 0.00 2.60 2.04 -0.43 -3.28 117.51 120.01 1v4x h ILE 614 Ca 0.04 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 1v4x h ILE 614 Cb 0.68 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1v4x h ILE 614 CO 0.05 0.36 -0.66 -0.26 0.00 0.00 0.00 178.15 177.64 1v4x h PHE 615 N 0.50 0.00 -0.67 1.37 -1.00 -1.25 -3.35 116.94 112.54 1v4x h PHE 615 Ca 0.10 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.90 1v4x h PHE 615 Cb 0.55 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 1v4x h PHE 615 CO 0.04 0.46 0.45 0.00 -1.61 0.00 0.00 178.31 177.66 1v4x h ALA 616 N 1.54 1.57 -0.23 2.45 0.00 -1.16 -2.67 119.26 120.76 1v4x h ALA 616 Ca -0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1v4x h ALA 616 Cb 1.38 -0.25 -0.25 0.00 0.00 0.00 0.00 17.79 18.67 1v4x h ALA 616 CO 0.06 0.37 -0.80 0.09 0.00 0.00 0.00 179.25 178.97 1v4x n ASN 617 N -4.45 2.22 -4.73 0.00 3.02 -1.26 -5.06 115.26 105.00 1v4x n ASN 617 Ca 0.08 -3.12 -0.42 0.00 -0.03 0.00 0.00 54.58 51.09 1v4x n ASN 617 Cb 0.08 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1v4x n ASN 617 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1v4x s LEU 618 N -2.59 4.38 -0.89 3.41 2.96 -1.01 -4.94 118.68 119.99 1v4x s LEU 618 Ca 0.38 2.63 -0.21 0.00 -0.22 0.00 0.00 54.13 56.72 1v4x s LEU 618 Cb 0.38 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.55 1v4x s LEU 618 CO -0.07 -0.74 1.19 0.21 -1.32 0.00 0.00 176.35 175.63 1v4x s ASN 619 N 0.65 6.48 0.33 3.68 3.84 -1.26 -4.87 114.94 123.79 1v4x s ASN 619 Ca 0.63 -1.59 0.06 0.00 0.21 0.00 0.00 52.86 52.17 1v4x s ASN 619 Cb -0.42 -2.46 0.57 0.00 -0.55 0.00 0.00 41.25 38.38 1v4x s ASN 619 CO 0.39 -1.30 1.79 1.88 -2.79 0.00 0.00 177.10 177.07 1v4x h TYR 620 N 9.30 0.37 0.00 0.43 0.05 -1.98 -0.60 116.97 124.54 1v4x h TYR 620 Ca 0.06 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1v4x h TYR 620 Cb 1.03 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1v4x h TYR 620 CO 1.16 0.55 0.00 0.39 -1.05 0.00 0.00 178.16 179.21 1v4x n GLU 621 N -4.16 0.15 -0.09 4.88 4.71 -1.26 -1.37 120.64 123.50 1v4x n GLU 621 Ca -0.01 0.23 -0.13 0.00 -0.01 0.00 0.00 57.16 57.25 1v4x n GLU 621 Cb 0.37 -1.71 -0.05 0.00 -1.01 0.00 0.00 31.44 29.03 1v4x n GLU 621 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1v4x n ASP 622 N -1.98 1.86 -0.07 1.62 4.64 -0.68 -4.59 116.55 117.34 1v4x n ASP 622 Ca 0.05 0.49 -0.15 0.00 -1.38 0.00 0.00 54.79 53.80 1v4x n ASP 622 Cb 0.32 -0.87 -0.05 0.00 -1.04 0.00 0.00 41.12 39.48 1v4x n ASP 622 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1v4x h ILE 623 N -1.00 1.29 0.68 5.18 1.08 -1.16 -2.88 117.51 120.70 1v4x h ILE 623 Ca -0.18 -1.70 -0.03 0.00 -0.39 0.00 0.00 64.86 62.57 1v4x h ILE 623 Cb 0.94 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1v4x h ILE 623 CO -0.11 0.54 -0.48 1.23 -0.69 0.00 0.00 178.15 178.65 1v4x h GLY 624 N 0.53 -1.29 0.85 5.37 0.00 -1.44 -0.70 103.07 106.40 1v4x h GLY 624 Ca 0.01 0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1v4x h GLY 624 CO 0.11 -0.42 0.41 -2.55 0.00 0.00 0.00 176.54 174.10 1v4x h PRO 625 N -1.10 0.78 -0.55 4.80 0.11 -1.73 -2.20 132.00 132.11 1v4x h PRO 625 Ca -0.09 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.04 1v4x h PRO 625 Cb 0.90 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.77 1v4x h PRO 625 CO 0.05 0.52 0.23 0.87 -0.21 0.00 0.00 178.00 179.46 1v4x h LYS 626 N 0.81 0.42 0.18 1.05 1.57 -1.38 -0.23 116.57 118.98 1v4x h LYS 626 Ca 0.27 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1v4x h LYS 626 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1v4x h LYS 626 CO -0.11 0.28 -0.09 0.00 -0.57 0.00 0.00 179.45 178.96 1v4x h ALA 627 N 1.35 -0.24 -0.51 3.86 0.00 -0.88 -0.89 119.26 121.95 1v4x h ALA 627 Ca 0.27 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1v4x h ALA 627 Cb 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1v4x h ALA 627 CO -0.24 -0.54 -0.15 1.25 0.00 0.00 0.00 179.25 179.57 1v4x h LEU 628 N -0.43 1.01 -0.30 0.00 5.85 -1.29 -1.43 115.31 118.72 1v4x h LEU 628 Ca -0.02 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1v4x h LEU 628 Cb 0.34 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1v4x h LEU 628 CO 0.04 1.14 0.14 0.00 -0.34 0.00 0.00 178.44 179.42 1v4x h ALA 629 N 0.94 0.38 -0.81 1.25 0.00 -1.04 -1.71 119.26 118.27 1v4x h ALA 629 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1v4x h ALA 629 Cb 0.71 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1v4x h ALA 629 CO 0.05 -0.06 0.48 -0.09 0.00 0.00 0.00 179.25 179.64 1v4x h ARG 630 N 0.34 0.83 -0.46 0.00 2.43 -1.04 -1.71 114.38 114.78 1v4x h ARG 630 Ca 0.10 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1v4x h ARG 630 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1v4x h ARG 630 CO -0.01 0.55 0.13 0.00 -1.51 0.00 0.00 179.97 179.13 1v4x h LEU 632 N 0.61 0.00 0.10 0.00 4.07 -1.02 -0.34 115.31 118.72 1v4x h LEU 632 Ca 0.15 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.78 1v4x h LEU 632 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1v4x h LEU 632 CO -0.00 0.12 -1.80 0.40 -1.08 0.00 0.00 178.44 176.08 1v4x h ILE 633 N 0.00 0.71 0.06 1.22 2.04 -0.84 -3.30 117.51 117.40 1v4x h ILE 633 Ca -0.00 -2.31 -0.24 0.00 1.00 0.00 0.00 64.86 63.31 1v4x h ILE 633 Cb 0.26 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1v4x h ILE 633 CO 0.02 0.75 -1.12 0.58 0.00 0.00 0.00 178.15 178.38 1v4x h VAL 634 N -0.20 1.61 -2.44 1.67 2.07 -0.95 -3.38 116.25 114.64 1v4x h VAL 634 Ca -0.40 -3.25 -0.60 0.00 0.82 0.00 0.00 66.70 63.27 1v4x h VAL 634 Cb 1.86 2.89 -0.41 0.00 -1.52 0.00 0.00 31.29 34.11 1v4x h VAL 634 CO 0.02 0.94 -0.77 -1.22 0.02 0.00 0.00 177.57 176.55 1v4x n TYR 635 N -3.43 1.77 0.28 1.57 4.01 -0.14 -5.01 117.16 116.21 1v4x n TYR 635 Ca -0.04 -3.91 0.14 0.00 -0.16 0.00 0.00 57.90 53.94 1v4x n TYR 635 Cb 0.98 -0.37 0.70 0.00 -0.31 0.00 0.00 39.34 40.34 1v4x n TYR 635 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1v4x h PRO 636 N 4.76 0.00 0.00 -0.72 0.11 -1.74 -0.52 132.00 133.90 1v4x h PRO 636 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1v4x h PRO 636 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1v4x h PRO 636 CO 0.63 0.00 -0.12 0.11 -0.21 0.00 0.00 178.00 178.41 1v4x h TRP 637 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.54 115.95 113.24 1v4x h TRP 637 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1v4x h TRP 637 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 1v4x h TRP 637 CO 0.00 0.12 0.00 0.25 0.09 0.00 0.00 178.44 178.90 1v4x n THR 638 N -4.01 1.71 0.37 0.12 -2.24 -0.20 -0.48 114.28 109.55 1v4x n THR 638 Ca -0.02 0.44 0.14 0.00 -2.27 0.00 0.00 64.05 62.34 1v4x n THR 638 Cb 0.21 -1.38 0.55 0.00 -2.10 0.00 0.00 70.33 67.60 1v4x n THR 638 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1v4x h GLN 639 N 0.00 0.00 -0.55 -0.78 4.20 -1.48 -3.32 115.11 113.18 1v4x h GLN 639 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1v4x h GLN 639 Cb 0.06 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.74 1v4x h GLN 639 CO 0.00 0.00 -0.11 -2.13 -0.67 0.00 0.00 178.83 175.92 1v4x n ARG 640 N -2.52 -0.05 0.00 1.46 0.63 0.37 -0.80 116.66 115.75 1v4x n ARG 640 Ca 0.02 0.85 0.14 0.00 -0.92 0.00 0.00 57.85 57.93 1v4x n ARG 640 Cb 0.26 -1.28 0.52 0.00 0.45 0.00 0.00 32.46 32.41 1v4x n ARG 640 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1v4x n TYR 641 N -4.86 0.00 -1.70 -0.14 4.01 -1.25 -4.07 117.16 109.15 1v4x n TYR 641 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1v4x n TYR 641 Cb 0.30 -0.23 0.12 0.00 -0.31 0.00 0.00 39.34 39.22 1v4x n TYR 641 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1v4x n PHE 642 N -1.08 1.62 0.15 -0.72 3.72 0.02 -4.64 117.46 116.54 1v4x n PHE 642 Ca 0.12 -1.94 0.03 0.00 -0.05 0.00 0.00 57.45 55.60 1v4x n PHE 642 Cb 0.30 -0.45 0.40 0.00 -0.94 0.00 0.00 39.48 38.80 1v4x n PHE 642 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1v4x h GLY 643 N 1.54 0.16 -0.11 1.37 0.00 -1.72 -1.56 103.07 102.75 1v4x h GLY 643 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1v4x h GLY 643 CO 0.53 0.09 0.00 0.00 0.00 0.00 0.00 176.54 177.17 1v4x n ALA 644 N -2.49 2.55 1.01 3.60 0.00 -1.26 -4.00 120.51 119.91 1v4x n ALA 644 Ca -0.01 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.29 1v4x n ALA 644 Cb 0.29 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 18.69 1v4x n ALA 644 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1v4x n TYR 645 N -0.30 0.00 -1.76 0.00 4.02 -0.59 -5.07 117.16 113.47 1v4x n TYR 645 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1v4x n TYR 645 Cb 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1v4x n TYR 645 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1v4x n GLY 646 N 1.36 -0.05 3.63 2.72 0.00 -1.26 -4.71 105.19 106.88 1v4x n GLY 646 Ca 0.13 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1v4x n GLY 646 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v4x n ASP 647 N 0.63 3.75 -0.18 1.61 2.03 -1.26 -4.86 116.55 118.27 1v4x n ASP 647 Ca 0.00 0.64 0.05 0.00 0.52 0.00 0.00 54.79 56.00 1v4x n ASP 647 Cb 0.00 -1.52 0.06 0.00 -0.72 0.00 0.00 41.12 38.94 1v4x n ASP 647 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1v4x n LEU 648 N 9.05 1.40 0.17 -2.67 4.77 -1.26 -4.32 117.00 124.13 1v4x n LEU 648 Ca 0.24 -2.03 0.01 0.00 -0.03 0.00 0.00 56.01 54.21 1v4x n LEU 648 Cb 0.41 -0.20 0.29 0.00 -2.33 0.00 0.00 43.42 41.59 1v4x n LEU 648 CO 0.68 0.48 0.63 0.77 -1.33 0.00 0.00 177.39 178.62 1v4x h SER 649 N 0.00 0.00 -3.31 -1.43 4.64 -1.93 -3.44 113.55 108.08 1v4x h SER 649 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1v4x h SER 649 Cb 1.04 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 1v4x h SER 649 CO 0.00 0.47 -0.69 0.42 -0.87 0.00 0.00 176.83 176.16 1v4x s THR 650 N -3.95 1.49 0.23 2.95 -4.23 -1.26 -5.05 115.64 105.82 1v4x s THR 650 Ca -0.02 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 1v4x s THR 650 Cb 0.14 -2.26 0.19 0.00 1.34 0.00 0.00 72.50 71.91 1v4x s THR 650 CO 0.74 -0.43 1.72 -0.65 -0.54 0.00 0.00 174.62 175.46 1v4x h PRO 651 N 2.45 0.38 -0.98 3.99 0.11 -1.99 -1.87 132.00 134.09 1v4x h PRO 651 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1v4x h PRO 651 Cb 1.22 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1v4x h PRO 651 CO 0.65 0.25 0.62 -0.44 -0.21 0.00 0.00 178.00 178.86 1v4x h ASP 652 N 0.39 1.15 -0.42 -2.05 3.32 -1.97 0.55 116.42 117.39 1v4x h ASP 652 Ca 0.37 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 1v4x h ASP 652 Cb 0.55 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1v4x h ASP 652 CO -0.39 0.86 -0.08 0.00 -1.72 0.00 0.00 179.24 177.91 1v4x h ALA 653 N 1.34 0.57 -0.62 3.45 0.00 -1.82 -1.57 119.26 120.61 1v4x h ALA 653 Ca 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1v4x h ALA 653 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1v4x h ALA 653 CO -0.07 0.44 0.31 0.82 0.00 0.00 0.00 179.25 180.74 1v4x h ILE 654 N 0.62 1.21 0.00 0.00 2.04 -0.63 -1.64 117.51 119.10 1v4x h ILE 654 Ca 0.11 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1v4x h ILE 654 Cb 0.60 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1v4x h ILE 654 CO 0.04 0.24 -0.14 0.11 0.00 0.00 0.00 178.15 178.40 1v4x h LYS 655 N 0.84 0.00 -0.02 2.37 1.57 -0.74 -2.61 116.57 117.99 1v4x h LYS 655 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1v4x h LYS 655 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1v4x h LYS 655 CO -0.03 0.14 -0.09 0.41 -0.57 0.00 0.00 179.45 179.31 1v4x n GLY 656 N -0.03 0.53 3.58 3.86 0.00 -0.61 -4.92 105.19 107.62 1v4x n GLY 656 Ca -0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1v4x n GLY 656 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1v4x s ASN 657 N -2.10 6.57 0.32 1.61 3.84 -0.64 -4.88 114.94 119.65 1v4x s ASN 657 Ca 0.29 0.31 0.15 0.00 0.21 0.00 0.00 52.86 53.82 1v4x s ASN 657 Cb 0.20 -2.51 0.46 0.00 -0.55 0.00 0.00 41.25 38.85 1v4x s ASN 657 CO 0.36 -1.17 1.64 0.00 -2.79 0.00 0.00 177.10 175.14 1v4x h ALA 658 N 9.17 0.92 -0.43 1.71 0.00 -1.90 0.36 119.26 129.09 1v4x h ALA 658 Ca -0.23 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1v4x h ALA 658 Cb 1.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1v4x h ALA 658 CO 1.09 0.64 -0.26 0.87 0.00 0.00 0.00 179.25 181.58 1v4x h LYS 659 N 0.00 0.94 -0.32 0.00 1.79 -1.90 -0.31 116.57 116.76 1v4x h LYS 659 Ca -0.01 -0.43 -0.08 0.00 -2.18 0.00 0.00 60.65 57.95 1v4x h LYS 659 Cb 1.06 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1v4x h LYS 659 CO 0.07 1.09 -0.12 0.82 -1.08 0.00 0.00 179.45 180.23 1v4x h ILE 660 N 0.77 1.29 -0.61 1.86 1.08 -1.75 -2.44 117.51 117.70 1v4x h ILE 660 Ca 0.09 -1.20 0.08 0.00 -0.39 0.00 0.00 64.86 63.45 1v4x h ILE 660 Cb 0.84 1.39 -0.07 0.00 -3.07 0.00 0.00 36.82 35.92 1v4x h ILE 660 CO 0.07 0.39 0.26 0.00 -0.69 0.00 0.00 178.15 178.18 1v4x h ALA 661 N 0.78 0.79 0.00 1.87 0.00 -0.91 0.16 119.26 121.96 1v4x h ALA 661 Ca 0.08 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1v4x h ALA 661 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1v4x h ALA 661 CO 0.04 -0.14 -0.32 0.00 0.00 0.00 0.00 179.25 178.83 1v4x h ALA 662 N 1.39 1.39 -0.11 0.00 0.00 -0.91 -1.57 119.26 119.44 1v4x h ALA 662 Ca 0.30 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1v4x h ALA 662 Cb 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1v4x h ALA 662 CO -0.26 0.40 -0.67 1.25 0.00 0.00 0.00 179.25 179.97 1v4x h HIS 663 N 0.00 0.89 -0.71 0.00 6.17 -0.82 -1.88 115.15 118.81 1v4x h HIS 663 Ca -0.00 -0.41 0.14 0.00 0.71 0.00 0.00 60.37 60.81 1v4x h HIS 663 Cb 0.60 -0.13 -0.10 0.00 2.52 0.00 0.00 27.41 30.30 1v4x h HIS 663 CO 0.00 1.22 0.22 0.78 0.71 0.00 0.00 177.93 180.86 1v4x h GLY 664 N 0.31 1.01 0.96 5.26 0.00 -0.07 0.11 103.07 110.65 1v4x h GLY 664 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1v4x h GLY 664 CO 0.14 -0.13 0.12 -2.08 0.00 0.00 0.00 176.54 174.59 1v4x h VAL 665 N 0.35 1.09 -0.38 4.60 2.07 -1.25 -0.76 116.25 121.98 1v4x h VAL 665 Ca 0.39 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1v4x h VAL 665 Cb 0.60 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1v4x h VAL 665 CO -0.43 0.09 0.16 0.50 0.02 0.00 0.00 177.57 177.91 1v4x h LYS 666 N 0.23 0.33 -0.33 1.57 3.64 -0.53 0.11 116.57 121.60 1v4x h LYS 666 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1v4x h LYS 666 Cb 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1v4x h LYS 666 CO -0.01 0.22 0.07 0.28 -2.27 0.00 0.00 179.45 177.73 1v4x h VAL 667 N 0.34 1.23 -0.31 2.00 2.07 -0.72 -1.13 116.25 119.72 1v4x h VAL 667 Ca 0.17 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1v4x h VAL 667 Cb 0.11 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1v4x h VAL 667 CO -0.14 0.26 0.19 0.25 0.02 0.00 0.00 177.57 178.14 1v4x h LEU 668 N 0.37 0.31 -2.65 2.57 6.46 -0.95 0.44 115.31 121.86 1v4x h LEU 668 Ca 0.10 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1v4x h LEU 668 Cb 0.31 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1v4x h LEU 668 CO 0.00 0.22 0.01 0.45 -0.62 0.00 0.00 178.44 178.51 1v4x h HIS 669 N 0.38 0.00 0.00 1.25 3.86 -0.63 -2.01 115.15 118.00 1v4x h HIS 669 Ca 0.12 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1v4x h HIS 669 Cb -0.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1v4x h HIS 669 CO -0.07 0.00 -0.01 0.78 0.86 0.00 0.00 177.93 179.49 1v4x h GLY 670 N 0.00 0.00 2.00 2.45 0.00 0.42 -1.23 103.07 106.71 1v4x h GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v4x h GLY 670 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1v4x n LEU 671 N -3.29 0.71 -0.13 3.11 4.77 -0.75 -4.18 117.00 117.24 1v4x n LEU 671 Ca -0.03 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 1v4x n LEU 671 Cb 0.11 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1v4x n LEU 671 CO 0.23 -0.23 0.97 0.44 -1.33 0.00 0.00 177.39 177.47 1v4x h ASP 672 N 0.00 0.22 -0.48 -1.43 3.32 -1.37 -1.20 116.42 115.48 1v4x h ASP 672 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1v4x h ASP 672 Cb 0.65 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1v4x h ASP 672 CO 0.00 0.17 0.32 0.08 -1.72 0.00 0.00 179.24 178.09 1v4x h ARG 673 N 0.36 0.53 -0.29 3.56 0.11 -1.76 -1.04 114.38 115.85 1v4x h ARG 673 Ca 0.18 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 60.16 1v4x h ARG 673 Cb 0.13 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1v4x h ARG 673 CO -0.16 0.35 -0.09 0.00 0.10 0.00 0.00 179.97 180.17 1v4x h ALA 674 N 1.72 0.40 -0.75 0.08 0.00 -1.48 -1.97 119.26 117.26 1v4x h ALA 674 Ca 0.19 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1v4x h ALA 674 Cb 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1v4x h ALA 674 CO -0.05 0.25 0.46 0.28 0.00 0.00 0.00 179.25 180.19 1v4x h VAL 675 N 0.33 1.05 0.00 0.00 2.07 -0.71 -2.53 116.25 116.47 1v4x h VAL 675 Ca 0.07 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1v4x h VAL 675 Cb 0.59 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1v4x h VAL 675 CO 0.03 0.16 -0.70 0.11 0.02 0.00 0.00 177.57 177.19 1v4x h LYS 676 N 0.87 0.00 -1.79 1.57 1.57 -1.17 -3.36 116.57 114.25 1v4x h LYS 676 Ca 0.32 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.52 1v4x h LYS 676 Cb 0.10 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.99 1v4x h LYS 676 CO -0.14 0.70 -0.73 0.09 -0.57 0.00 0.00 179.45 178.80 1v4x n ASN 677 N -3.69 4.36 0.31 0.86 4.13 -0.75 -4.95 115.26 115.53 1v4x n ASN 677 Ca -0.01 -3.64 0.20 0.00 1.68 0.00 0.00 54.58 52.82 1v4x n ASN 677 Cb 0.69 -0.50 1.01 0.00 -1.54 0.00 0.00 39.78 39.43 1v4x n ASN 677 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1v4x h MET 678 N 2.76 0.00 -0.01 3.52 2.86 -1.63 -1.47 114.93 120.95 1v4x h MET 678 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1v4x h MET 678 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1v4x h MET 678 CO 0.81 0.00 -0.36 -0.25 1.06 0.00 0.00 176.91 178.18 1v4x n ASP 679 N -3.11 1.28 -1.72 1.22 8.00 -1.26 -4.31 116.55 116.64 1v4x n ASP 679 Ca -0.02 -1.03 0.01 0.00 0.71 0.00 0.00 54.79 54.46 1v4x n ASP 679 Cb 0.16 0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1v4x n ASP 679 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1v4x n ASN 680 N -0.55 1.61 0.06 -2.24 4.13 -0.57 -4.90 115.26 112.81 1v4x n ASN 680 Ca 0.11 -2.49 -0.02 0.00 1.68 0.00 0.00 54.58 53.86 1v4x n ASN 680 Cb 0.38 -0.39 0.24 0.00 -1.54 0.00 0.00 39.78 38.47 1v4x n ASN 680 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1v4x h ILE 681 N 5.19 1.27 -0.55 2.41 2.04 -1.72 -1.24 117.51 124.90 1v4x h ILE 681 Ca -0.11 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.54 1v4x h ILE 681 Cb 1.55 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 39.03 1v4x h ILE 681 CO 0.16 0.39 0.24 0.78 0.00 0.00 0.00 178.15 179.73 1v4x h ASN 682 N 0.31 0.30 0.06 1.72 2.35 -1.91 -1.62 115.58 116.79 1v4x h ASN 682 Ca 0.04 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 55.61 1v4x h ASN 682 Cb 0.67 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1v4x h ASN 682 CO 0.05 0.20 -0.88 -0.33 -1.65 0.00 0.00 177.43 174.82 1v4x h GLU 683 N 0.46 0.63 0.00 0.81 3.07 -1.90 -2.72 114.58 114.92 1v4x h GLU 683 Ca 0.26 -0.59 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 1v4x h GLU 683 Cb 0.24 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1v4x h GLU 683 CO -0.22 1.20 -0.23 0.00 -1.40 0.00 0.00 179.01 178.36 1v4x h ALA 684 N 0.61 1.22 -0.18 3.43 0.00 -0.88 -3.02 119.26 120.44 1v4x h ALA 684 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1v4x h ALA 684 Cb 1.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1v4x h ALA 684 CO 0.17 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.36 1v4x n TYR 685 N -3.69 0.21 -0.11 0.00 4.02 -0.64 -4.64 117.16 112.33 1v4x n TYR 685 Ca -0.01 -0.14 -0.09 0.00 -0.01 0.00 0.00 57.90 57.65 1v4x n TYR 685 Cb 0.34 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 1v4x n TYR 685 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1v4x h SER 686 N 3.63 0.44 -0.61 7.72 4.64 -1.35 0.23 113.55 128.26 1v4x h SER 686 Ca 0.00 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1v4x h SER 686 Cb 0.82 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 1v4x h SER 686 CO 0.00 0.46 0.10 -0.08 -0.87 0.00 0.00 176.83 176.44 1v4x h GLU 687 N 0.39 1.03 -0.04 4.77 4.81 -1.82 -1.66 114.58 122.07 1v4x h GLU 687 Ca 0.11 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1v4x h GLU 687 Cb 0.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1v4x h GLU 687 CO -0.01 0.94 -0.37 1.25 -0.73 0.00 0.00 179.01 180.10 1v4x h LEU 688 N 0.97 0.07 -0.27 1.64 5.85 -1.68 -0.86 115.31 121.03 1v4x h LEU 688 Ca 0.19 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1v4x h LEU 688 Cb 0.42 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1v4x h LEU 688 CO 0.01 0.43 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.16 1v4x h SER 689 N 0.06 0.56 -0.54 1.25 0.87 -0.19 -2.00 113.55 113.55 1v4x h SER 689 Ca 0.01 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.25 1v4x h SER 689 Cb 0.68 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1v4x h SER 689 CO 0.05 0.83 0.20 0.58 -0.53 0.00 0.00 176.83 177.96 1v4x h VAL 690 N 0.29 0.81 0.36 2.23 2.07 -0.96 -0.89 116.25 120.16 1v4x h VAL 690 Ca 0.06 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1v4x h VAL 690 Cb 0.61 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1v4x h VAL 690 CO 0.04 0.07 -0.25 0.25 0.02 0.00 0.00 177.57 177.69 1v4x h LEU 691 N 0.38 -0.65 -1.03 2.57 5.85 -1.02 0.17 115.31 121.58 1v4x h LEU 691 Ca 0.27 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1v4x h LEU 691 Cb 0.30 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1v4x h LEU 691 CO -0.27 -0.39 0.41 0.45 -0.34 0.00 0.00 178.44 178.30 1v4x h HIS 692 N -0.61 1.08 0.19 1.25 3.86 -1.06 -1.25 115.15 118.61 1v4x h HIS 692 Ca -0.03 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1v4x h HIS 692 Cb 0.51 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1v4x h HIS 692 CO -0.12 0.76 -0.09 1.03 0.86 0.00 0.00 177.93 180.37 1v4x h SER 693 N 1.10 -0.22 0.54 2.45 0.87 -1.05 0.20 113.55 117.43 1v4x h SER 693 Ca 0.27 0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.60 1v4x h SER 693 Cb 0.05 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1v4x h SER 693 CO -0.04 -0.09 -1.08 0.44 -0.53 0.00 0.00 176.83 175.52 1v4x h ASP 694 N -0.39 0.42 0.00 6.23 3.45 -0.65 -2.85 116.42 122.64 1v4x h ASP 694 Ca -0.03 -0.40 -0.37 0.00 0.43 0.00 0.00 57.03 56.66 1v4x h ASP 694 Cb 0.20 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 38.78 1v4x h ASP 694 CO 0.04 1.25 -2.05 0.29 -1.57 0.00 0.00 179.24 177.21 1v4x n LYS 695 N -3.62 0.59 0.05 3.56 5.02 -0.68 -4.73 118.16 118.35 1v4x n LYS 695 Ca -0.07 0.38 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1v4x n LYS 695 Cb 0.93 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 1v4x n LYS 695 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1v4x n LEU 696 N -4.28 0.79 -3.45 -0.35 4.77 -0.56 -4.99 117.00 108.94 1v4x n LEU 696 Ca -0.45 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 1v4x n LEU 696 Cb 0.82 0.04 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 1v4x n LEU 696 CO 0.11 0.04 0.18 1.41 -1.33 0.00 0.00 177.39 177.79 1v4x n HIS 697 N -2.79 -2.62 -2.88 -1.77 8.25 0.59 -4.95 115.22 109.05 1v4x n HIS 697 Ca -0.07 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 1v4x n HIS 697 Cb 0.74 -4.86 -0.04 0.00 1.12 0.00 0.00 29.99 26.95 1v4x n HIS 697 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1v4x s VAL 698 N -3.28 4.90 0.05 1.59 1.01 -0.58 -5.00 120.40 119.08 1v4x s VAL 698 Ca 0.52 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 1v4x s VAL 698 Cb -0.23 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1v4x s VAL 698 CO 0.64 0.07 1.85 -0.62 0.00 0.00 0.00 175.10 177.03 1v4x s ASP 699 N 1.08 6.50 0.31 3.32 -1.08 -1.26 -4.70 116.67 120.84 1v4x s ASP 699 Ca 0.40 2.60 0.25 0.00 -0.52 0.00 0.00 52.55 55.28 1v4x s ASP 699 Cb -0.17 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.82 1v4x s ASP 699 CO 0.15 -1.00 1.75 1.55 0.52 0.00 0.00 175.17 178.14 1v4x h PRO 700 N 9.70 0.00 -0.09 4.34 0.13 -1.96 -0.70 132.00 143.42 1v4x h PRO 700 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1v4x h PRO 700 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v4x h PRO 700 CO 0.94 0.00 0.06 0.22 -0.23 0.00 0.00 178.00 178.99 1v4x h ASP 701 N 0.00 0.05 0.35 1.44 1.82 -1.99 0.02 116.42 118.10 1v4x h ASP 701 Ca 0.00 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1v4x h ASP 701 Cb 0.33 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1v4x h ASP 701 CO 0.00 0.03 -0.03 0.78 -1.61 0.00 0.00 179.24 178.41 1v4x h ASN 702 N 0.05 0.00 -0.38 2.28 2.35 -1.50 -1.99 115.58 116.39 1v4x h ASN 702 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1v4x h ASN 702 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1v4x h ASN 702 CO -0.00 0.03 0.06 -0.26 -1.65 0.00 0.00 177.43 175.61 1v4x h PHE 703 N 0.00 0.67 -0.35 1.19 0.05 -1.15 -1.16 116.94 116.19 1v4x h PHE 703 Ca -0.00 -0.09 0.03 0.00 3.82 0.00 0.00 57.97 61.73 1v4x h PHE 703 Cb 0.21 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 37.95 1v4x h PHE 703 CO 0.00 0.67 0.16 -0.09 -0.18 0.00 0.00 178.31 178.87 1v4x h ARG 704 N 0.48 0.32 -0.61 1.51 2.43 -1.44 -0.88 114.38 116.19 1v4x h ARG 704 Ca 0.12 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1v4x h ARG 704 Cb 0.36 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1v4x h ARG 704 CO 0.01 0.21 0.07 0.82 -1.51 0.00 0.00 179.97 179.57 1v4x h ILE 705 N 0.33 1.26 -0.27 1.20 2.04 -1.40 -1.68 117.51 118.99 1v4x h ILE 705 Ca 0.15 -1.05 -0.11 0.00 1.00 0.00 0.00 64.86 64.85 1v4x h ILE 705 Cb 0.09 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1v4x h ILE 705 CO -0.12 0.39 -0.28 0.25 0.00 0.00 0.00 178.15 178.39 1v4x h LEU 706 N 0.95 0.71 -1.20 1.44 6.46 -0.97 -1.22 115.31 121.48 1v4x h LEU 706 Ca 0.19 -0.48 0.13 0.00 -0.12 0.00 0.00 57.88 57.60 1v4x h LEU 706 Cb 0.46 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 1v4x h LEU 706 CO 0.02 1.04 0.59 1.23 -0.62 0.00 0.00 178.44 180.69 1v4x h GLY 707 N 0.39 1.33 1.07 3.75 0.00 -0.82 0.26 103.07 109.05 1v4x h GLY 707 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1v4x h GLY 707 CO 0.07 0.12 -0.28 -0.55 0.00 0.00 0.00 176.54 175.89 1v4x h ASP 708 N 0.79 0.93 -0.64 0.19 3.45 -0.88 -0.04 116.42 120.22 1v4x h ASP 708 Ca 0.46 -0.44 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1v4x h ASP 708 Cb 0.62 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 1v4x h ASP 708 CO -0.22 1.17 0.31 0.00 -1.57 0.00 0.00 179.24 178.93 1v4x h LEU 710 N 0.88 0.91 -0.18 0.00 5.85 -0.28 -0.38 115.31 122.11 1v4x h LEU 710 Ca 0.22 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1v4x h LEU 710 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1v4x h LEU 710 CO -0.03 0.63 0.08 0.74 -0.34 0.00 0.00 178.44 179.52 1v4x h THR 711 N 1.06 0.98 -0.86 1.05 2.02 -0.78 0.13 112.91 116.51 1v4x h THR 711 Ca 0.33 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1v4x h THR 711 Cb -0.02 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1v4x h THR 711 CO -0.11 0.03 0.53 0.58 0.37 0.00 0.00 175.52 176.93 1v4x h VAL 712 N 0.17 1.24 -0.33 3.16 2.07 -0.75 0.13 116.25 121.93 1v4x h VAL 712 Ca 0.07 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1v4x h VAL 712 Cb 0.02 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1v4x h VAL 712 CO -0.06 0.24 0.01 0.58 0.02 0.00 0.00 177.57 178.37 1v4x h VAL 713 N 1.19 1.25 -0.24 2.57 2.07 -0.53 -0.97 116.25 121.59 1v4x h VAL 713 Ca 0.31 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1v4x h VAL 713 Cb -0.07 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1v4x h VAL 713 CO -0.06 0.31 -0.41 0.40 0.02 0.00 0.00 177.57 177.82 1v4x h ILE 714 N 0.39 1.30 -0.38 4.57 2.04 -0.43 -0.77 117.51 124.23 1v4x h ILE 714 Ca 0.10 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.38 1v4x h ILE 714 Cb 0.43 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1v4x h ILE 714 CO 0.02 0.50 0.25 0.00 0.00 0.00 0.00 178.15 178.91 1v4x h ALA 715 N 1.08 0.49 -0.59 1.87 0.00 -0.63 -0.14 119.26 121.33 1v4x h ALA 715 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1v4x h ALA 715 Cb 0.92 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1v4x h ALA 715 CO 0.08 -0.07 0.17 0.00 0.00 0.00 0.00 179.25 179.43 1v4x h ALA 716 N 1.15 1.19 0.02 0.00 0.00 -0.66 -2.82 119.26 118.14 1v4x h ALA 716 Ca 0.14 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1v4x h ALA 716 Cb -0.05 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.53 1v4x h ALA 716 CO -0.04 0.56 -0.84 -0.97 0.00 0.00 0.00 179.25 177.96 1v4x h ASN 717 N 0.87 0.70 1.39 0.00 -0.73 -0.77 -3.35 115.58 113.69 1v4x h ASN 717 Ca 0.19 -0.77 -0.12 0.00 1.87 0.00 0.00 56.30 57.47 1v4x h ASN 717 Cb 0.27 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 1v4x h ASN 717 CO -0.01 1.38 -0.59 -0.07 -0.37 0.00 0.00 177.43 177.78 1v4x h LEU 718 N 0.09 0.00 0.00 0.34 3.38 -1.05 -3.49 115.31 114.58 1v4x h LEU 718 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1v4x h LEU 718 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1v4x h LEU 718 CO 0.16 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1v4x n GLY 719 N 1.23 3.68 0.33 0.83 0.00 -1.07 -1.34 105.19 108.86 1v4x n GLY 719 Ca 0.02 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.14 1v4x n GLY 719 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v4x h ASP 720 N 0.00 0.00 0.59 1.61 3.32 -1.94 -1.14 116.42 118.87 1v4x h ASP 720 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v4x h ASP 720 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v4x h ASP 720 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1v4x n ALA 721 N -2.48 1.57 -2.55 3.45 0.00 -0.45 -4.14 120.51 115.91 1v4x n ALA 721 Ca 0.03 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1v4x n ALA 721 Cb 0.35 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1v4x n ALA 721 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1v4x n PHE 722 N -2.13 3.36 -1.49 0.00 7.35 -0.43 -4.91 117.46 119.20 1v4x n PHE 722 Ca 0.02 -2.92 -0.29 0.00 -0.76 0.00 0.00 57.45 53.50 1v4x n PHE 722 Cb 0.19 -1.93 0.18 0.00 0.35 0.00 0.00 39.48 38.27 1v4x n PHE 722 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1v4x s THR 723 N 0.31 1.88 0.09 -2.13 -4.23 -1.26 -4.79 115.64 105.52 1v4x s THR 723 Ca 0.39 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.68 1v4x s THR 723 Cb 0.06 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 71.03 1v4x s THR 723 CO 0.01 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.41 1v4x h VAL 724 N -1.86 1.00 -0.21 2.29 2.07 -1.95 -1.99 116.25 115.60 1v4x h VAL 724 Ca -0.47 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1v4x h VAL 724 Cb 1.30 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1v4x h VAL 724 CO 0.48 0.00 -0.01 -0.08 0.02 0.00 0.00 177.57 177.98 1v4x h GLU 725 N 0.01 0.31 -0.33 1.57 4.57 -1.99 -0.47 114.58 118.25 1v4x h GLU 725 Ca 0.01 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1v4x h GLU 725 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1v4x h GLU 725 CO -0.01 0.35 0.20 1.15 -1.18 0.00 0.00 179.01 179.53 1v4x h THR 726 N 0.31 1.05 -0.84 0.32 2.02 -1.80 -0.55 112.91 113.43 1v4x h THR 726 Ca 0.07 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1v4x h THR 726 Cb 0.23 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1v4x h THR 726 CO 0.01 0.08 0.49 -0.61 0.37 0.00 0.00 175.52 175.85 1v4x h GLN 727 N 0.42 1.14 -0.15 6.66 4.15 -0.57 0.25 115.11 127.01 1v4x h GLN 727 Ca 0.13 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1v4x h GLN 727 Cb -0.02 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 1v4x h GLN 727 CO -0.05 0.81 0.08 0.00 -1.93 0.00 0.00 178.83 177.75 1v4x h ALA 729 N 0.98 0.64 -0.42 0.00 0.00 -0.86 -2.01 119.26 117.59 1v4x h ALA 729 Ca 0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1v4x h ALA 729 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1v4x h ALA 729 CO -0.01 0.65 -0.08 0.35 0.00 0.00 0.00 179.25 180.16 1v4x h PHE 730 N 0.81 0.90 -0.69 0.00 3.57 -0.80 -0.58 116.94 120.15 1v4x h PHE 730 Ca 0.10 -0.19 0.07 0.00 3.53 0.00 0.00 57.97 61.48 1v4x h PHE 730 Cb 0.84 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1v4x h PHE 730 CO 0.06 0.91 0.36 0.37 -2.23 0.00 0.00 178.31 177.78 1v4x h GLN 731 N 0.63 0.63 -0.64 1.11 5.75 -0.71 0.35 115.11 122.22 1v4x h GLN 731 Ca 0.11 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1v4x h GLN 731 Cb 0.61 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 1v4x h GLN 731 CO 0.04 0.42 0.41 -0.22 -2.65 0.00 0.00 178.83 176.83 1v4x h LYS 732 N 0.65 0.79 -0.06 1.69 3.64 -1.12 0.23 116.57 122.39 1v4x h LYS 732 Ca 0.32 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1v4x h LYS 732 Cb 0.26 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1v4x h LYS 732 CO -0.22 0.53 0.02 0.35 -2.27 0.00 0.00 179.45 177.86 1v4x h PHE 733 N 0.82 0.09 -0.63 1.91 3.57 -0.80 -2.17 116.94 119.72 1v4x h PHE 733 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1v4x h PHE 733 Cb -0.03 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1v4x h PHE 733 CO -0.04 0.24 0.35 -0.07 -2.23 0.00 0.00 178.31 176.56 1v4x h LEU 734 N -0.08 0.79 -0.72 0.59 3.38 -0.74 -1.11 115.31 117.43 1v4x h LEU 734 Ca 0.02 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1v4x h LEU 734 Cb 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1v4x h LEU 734 CO -0.00 0.65 0.43 0.00 0.09 0.00 0.00 178.44 179.61 1v4x h ALA 735 N 1.17 0.96 -0.19 1.53 0.00 -0.87 0.13 119.26 121.99 1v4x h ALA 735 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1v4x h ALA 735 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1v4x h ALA 735 CO -0.04 0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.66 1v4x h VAL 736 N 0.81 1.24 -0.58 0.00 2.07 -1.04 -1.18 116.25 117.57 1v4x h VAL 736 Ca 0.31 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1v4x h VAL 736 Cb 0.13 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1v4x h VAL 736 CO -0.15 0.25 0.32 0.58 0.02 0.00 0.00 177.57 178.59 1v4x h VAL 737 N 0.11 1.18 -0.52 2.57 2.07 -0.84 -0.75 116.25 120.06 1v4x h VAL 737 Ca 0.06 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1v4x h VAL 737 Cb 0.36 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1v4x h VAL 737 CO 0.01 0.20 -0.13 0.58 0.02 0.00 0.00 177.57 178.25 1v4x h VAL 738 N 0.78 1.27 0.63 2.57 2.07 -0.66 -0.47 116.25 122.43 1v4x h VAL 738 Ca 0.20 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1v4x h VAL 738 Cb 0.03 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1v4x h VAL 738 CO -0.03 0.45 -0.34 0.15 0.02 0.00 0.00 177.57 177.81 1v4x h PHE 739 N 0.88 -0.89 -0.89 1.57 3.04 -1.03 -2.03 116.94 117.58 1v4x h PHE 739 Ca 0.13 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.25 1v4x h PHE 739 Cb 0.70 0.31 -0.17 0.00 2.56 0.00 0.00 35.95 39.34 1v4x h PHE 739 CO 0.05 -0.53 -0.21 0.00 -2.02 0.00 0.00 178.31 175.59 1v4x h ALA 740 N -0.55 0.61 0.00 2.41 0.00 -0.95 -0.32 119.26 120.46 1v4x h ALA 740 Ca -0.08 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1v4x h ALA 740 Cb 0.71 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1v4x h ALA 740 CO 0.11 -0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 178.82 1v4x h LEU 741 N 0.00 0.00 -0.04 0.00 3.38 -0.84 -2.57 115.31 115.24 1v4x h LEU 741 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1v4x h LEU 741 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1v4x h LEU 741 CO -0.92 0.07 -0.33 0.61 0.09 0.00 0.00 178.44 177.96 1v4x n GLY 742 N -0.07 -1.26 0.32 0.83 0.00 -0.17 -4.47 105.19 100.37 1v4x n GLY 742 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1v4x n GLY 742 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v4x h ARG 743 N 0.10 0.62 -0.60 1.61 3.08 -1.01 -2.97 114.38 115.21 1v4x h ARG 743 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1v4x h ARG 743 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1v4x h ARG 743 CO 0.00 0.41 0.00 1.63 -1.07 0.00 0.00 179.97 180.94 1v4x n LYS 744 N -4.47 3.35 -2.50 0.04 4.76 -1.26 -4.86 118.16 113.22 1v4x n LYS 744 Ca 0.05 -2.72 -0.42 0.00 -2.87 0.00 0.00 58.31 52.35 1v4x n LYS 744 Cb 0.11 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 1v4x n LYS 744 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1v4x s TYR 745 N -1.62 3.51 0.00 2.13 1.51 -1.12 -4.74 117.35 117.02 1v4x s TYR 745 Ca 0.46 1.44 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1v4x s TYR 745 Cb 0.29 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.80 1v4x s TYR 745 CO 0.24 -0.89 0.00 -2.39 -1.11 0.00 0.00 175.55 171.40