#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfo s ASP 596 N 0.00 4.03 -0.24 -1.43 3.84 -1.26 -4.41 116.67 117.20 1tfo s ASP 596 Ca 0.00 -1.15 -0.07 0.00 -0.00 0.00 0.00 52.55 51.32 1tfo s ASP 596 Cb 0.00 -2.59 0.11 0.00 -1.38 0.00 0.00 42.92 39.06 1tfo s ASP 596 CO 0.00 -4.11 0.49 -0.44 -0.00 0.00 0.00 175.17 171.11 1tfo s SER 597 N 7.94 -0.52 0.05 2.11 0.01 -1.01 -4.85 113.70 117.43 1tfo s SER 597 Ca 0.77 1.09 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1tfo s SER 597 Cb -0.04 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.83 1tfo s SER 597 CO 0.16 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1tfo n GLY 598 N 5.41 0.93 0.00 3.44 0.00 -1.26 -3.90 105.19 109.81 1tfo n GLY 598 Ca -0.09 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.59 1tfo n GLY 598 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tfo n ARG 599 N 2.33 0.95 -4.25 1.61 1.85 -1.26 -4.81 116.66 113.07 1tfo n ARG 599 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 1tfo n ARG 599 Cb 0.00 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 30.04 1tfo n ARG 599 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1tfo s PHE 600 N -2.00 2.70 0.04 2.89 0.08 -1.25 0.22 117.98 120.65 1tfo s PHE 600 Ca 0.28 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 1tfo s PHE 600 Cb 0.13 -1.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1tfo s PHE 600 CO 0.21 0.55 0.13 -1.54 -0.10 0.00 0.00 175.22 174.47 1tfo s SER 601 N -3.72 0.13 0.16 1.36 1.04 -1.26 -2.39 113.70 109.01 1tfo s SER 601 Ca 0.33 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.22 1tfo s SER 601 Cb -0.05 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.32 1tfo s SER 601 CO 0.21 -0.51 1.48 -0.09 0.98 0.00 0.00 173.24 175.31 1tfo h ARG 602 N 3.67 0.82 0.77 4.02 2.43 -1.89 -2.72 114.38 121.47 1tfo h ARG 602 Ca -0.32 -0.46 -0.03 0.00 -0.81 0.00 0.00 59.98 58.36 1tfo h ARG 602 Cb 1.19 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1tfo h ARG 602 CO 0.49 1.09 -0.47 -0.22 -1.51 0.00 0.00 179.97 179.35 1tfo h LYS 603 N 0.66 -1.12 -0.46 0.20 3.64 -1.99 -0.25 116.57 117.25 1tfo h LYS 603 Ca 0.04 0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1tfo h LYS 603 Cb 1.02 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1tfo h LYS 603 CO 0.10 -0.75 0.16 0.37 -2.27 0.00 0.00 179.45 177.06 1tfo h GLN 604 N -1.16 0.32 -0.90 1.90 5.75 -1.96 -1.18 115.11 117.88 1tfo h GLN 604 Ca -0.10 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.46 1tfo h GLN 604 Cb 0.94 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.34 1tfo h GLN 604 CO 0.10 0.21 0.55 -0.07 -2.65 0.00 0.00 178.83 176.98 1tfo h LEU 605 N 0.33 0.85 0.04 -2.39 3.38 -1.36 -1.87 115.31 114.30 1tfo h LEU 605 Ca 0.22 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1tfo h LEU 605 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1tfo h LEU 605 CO -0.22 0.52 -0.02 -0.78 0.09 0.00 0.00 178.44 178.02 1tfo h ASP 606 N 0.97 -0.05 0.52 -0.43 1.82 0.11 -0.54 116.42 118.82 1tfo h ASP 606 Ca 0.41 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1tfo h ASP 606 Cb 0.26 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1tfo h ASP 606 CO -0.20 0.05 0.00 2.29 -1.61 0.00 0.00 179.24 179.77 1tfo n LYS 607 N -5.07 0.00 -0.01 0.28 2.85 -0.64 -2.62 118.16 112.96 1tfo n LYS 607 Ca -0.08 0.24 0.03 0.00 -1.05 0.00 0.00 58.31 57.46 1tfo n LYS 607 Cb 0.09 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 32.99 1tfo n LYS 607 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1tfo n LYS 608 N -1.51 0.10 0.17 -1.58 4.76 -0.74 -4.58 118.16 114.78 1tfo n LYS 608 Ca 0.04 -0.95 0.19 0.00 -2.87 0.00 0.00 58.31 54.71 1tfo n LYS 608 Cb 0.18 -1.13 0.79 0.00 -1.84 0.00 0.00 35.03 33.03 1tfo n LYS 608 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1tfo h TYR 609 N 1.30 0.00 0.00 2.13 3.20 -0.85 0.22 116.97 122.97 1tfo h TYR 609 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1tfo h TYR 609 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1tfo h TYR 609 CO 0.01 0.00 0.17 1.57 -1.64 0.00 0.00 178.16 178.27 1tfo h LYS 610 N 0.00 0.00 0.00 1.82 2.10 -1.81 0.18 116.57 118.86 1tfo h LYS 610 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1tfo h LYS 610 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1tfo h LYS 610 CO -0.00 0.00 -1.15 0.72 -2.00 0.00 0.00 179.45 177.01 1tfo n HIS 611 N -2.30 0.00 -0.26 0.07 8.25 0.78 -4.50 115.22 117.25 1tfo n HIS 611 Ca -0.01 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.65 1tfo n HIS 611 Cb 0.20 -0.08 0.52 0.00 1.12 0.00 0.00 29.99 31.75 1tfo n HIS 611 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tfo h ALA 612 N 2.82 2.24 -0.10 -1.41 0.00 -0.75 0.51 119.26 122.56 1tfo h ALA 612 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1tfo h ALA 612 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1tfo h ALA 612 CO 0.00 -0.55 0.15 0.78 0.00 0.00 0.00 179.25 179.63 1tfo h GLY 613 N 0.39 0.00 2.00 0.00 0.00 -1.71 0.29 103.07 104.04 1tfo h GLY 613 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1tfo h GLY 613 CO -0.20 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.56 1tfo n ASP 614 N -3.60 0.21 -1.83 0.19 10.43 0.17 -3.42 116.55 118.70 1tfo n ASP 614 Ca -0.00 0.52 -0.20 0.00 2.57 0.00 0.00 54.79 57.68 1tfo n ASP 614 Cb 0.25 -0.58 0.09 0.00 1.84 0.00 0.00 41.12 42.72 1tfo n ASP 614 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1tfo n PHE 615 N -1.70 2.34 -1.07 1.24 3.01 0.10 -4.79 117.46 116.59 1tfo n PHE 615 Ca 0.06 -2.23 -0.03 0.00 1.01 0.00 0.00 57.45 56.27 1tfo n PHE 615 Cb 0.35 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 39.14 1tfo n PHE 615 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tfo n GLY 616 N -0.90 0.47 3.11 1.37 0.00 -1.22 -4.91 105.19 103.11 1tfo n GLY 616 Ca 0.45 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1tfo n GLY 616 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tfo s ILE 617 N -1.71 3.14 -1.53 -0.61 2.07 -1.10 -4.93 121.20 116.53 1tfo s ILE 617 Ca 0.00 -2.10 0.27 0.00 -1.41 0.00 0.00 60.65 57.41 1tfo s ILE 617 Cb 0.00 -3.17 0.28 0.00 0.13 0.00 0.00 42.46 39.70 1tfo s ILE 617 CO 0.00 -0.68 1.66 -1.54 -1.91 0.00 0.00 174.94 172.47 1tfo n SER 618 N 4.54 0.68 -4.47 4.50 3.41 -1.26 -2.78 113.62 118.24 1tfo n SER 618 Ca -0.01 -0.58 -0.48 0.00 -0.26 0.00 0.00 58.87 57.53 1tfo n SER 618 Cb 0.41 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1tfo n SER 618 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tfo n ASP 619 N -0.96 2.17 0.07 4.04 9.92 -1.26 -4.78 116.55 125.75 1tfo n ASP 619 Ca 0.11 0.32 0.08 0.00 -0.53 0.00 0.00 54.79 54.77 1tfo n ASP 619 Cb 0.32 -1.30 0.37 0.00 -0.64 0.00 0.00 41.12 39.88 1tfo n ASP 619 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1tfo n THR 620 N 7.33 1.08 -3.30 -3.53 -2.24 -1.26 -4.73 114.28 107.63 1tfo n THR 620 Ca 0.41 0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 62.18 1tfo n THR 620 Cb 0.26 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 1tfo n THR 620 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tfo s LYS 621 N -3.19 4.04 -0.38 -0.78 1.02 -1.26 -5.05 119.74 114.13 1tfo s LYS 621 Ca 0.04 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.60 1tfo s LYS 621 Cb 0.08 -2.92 0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1tfo s LYS 621 CO 0.27 0.46 0.14 0.21 -0.92 0.00 0.00 175.35 175.51 1tfo s LYS 622 N -1.95 1.78 0.28 1.68 2.20 -1.26 -4.79 119.74 117.68 1tfo s LYS 622 Ca 0.39 -1.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.12 1tfo s LYS 622 Cb -0.15 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1tfo s LYS 622 CO 0.19 -1.02 0.29 0.54 -0.36 0.00 0.00 175.35 174.99 1tfo s ASN 623 N 1.37 0.77 0.34 1.43 2.20 -1.26 -5.01 114.94 114.78 1tfo s ASN 623 Ca 0.10 -1.48 0.12 0.00 -0.94 0.00 0.00 52.86 50.66 1tfo s ASN 623 Cb -0.21 0.52 0.93 0.00 -2.00 0.00 0.00 41.25 40.49 1tfo s ASN 623 CO -0.06 -1.04 1.76 0.03 -2.94 0.00 0.00 177.10 174.85 1tfo h ARG 624 N 2.32 0.54 -0.08 3.55 2.47 -1.99 -0.14 114.38 121.05 1tfo h ARG 624 Ca -0.30 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.25 1tfo h ARG 624 Cb 1.24 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1tfo h ARG 624 CO 0.43 0.36 -0.58 1.49 0.56 0.00 0.00 179.97 182.22 1tfo h GLU 625 N 0.56 0.26 0.14 0.04 4.81 -1.98 -2.60 114.58 115.80 1tfo h GLU 625 Ca 0.61 -0.17 -0.26 0.00 -0.13 0.00 0.00 59.36 59.40 1tfo h GLU 625 Cb 1.24 0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.67 1tfo h GLU 625 CO -0.39 0.77 -1.10 1.79 -0.73 0.00 0.00 179.01 179.36 1tfo h THR 626 N 0.20 1.36 -0.36 0.32 1.35 -1.40 -2.89 112.91 111.48 1tfo h THR 626 Ca -0.00 -2.47 0.07 0.00 -0.55 0.00 0.00 66.41 63.45 1tfo h THR 626 Cb 1.08 2.88 -0.02 0.00 -1.73 0.00 0.00 68.15 70.36 1tfo h THR 626 CO 0.09 0.73 0.25 -0.07 -0.25 0.00 0.00 175.52 176.27 1tfo h LEU 627 N 0.04 0.18 -0.35 3.87 3.38 -1.16 -0.24 115.31 121.04 1tfo h LEU 627 Ca -0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1tfo h LEU 627 Cb 1.82 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 1tfo h LEU 627 CO 0.21 0.12 -0.00 0.74 0.09 0.00 0.00 178.44 179.59 1tfo h THR 628 N 0.21 1.26 -0.08 0.22 2.02 -1.42 0.34 112.91 115.46 1tfo h THR 628 Ca 0.16 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1tfo h THR 628 Cb 0.39 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1tfo h THR 628 CO -0.03 0.32 -0.20 0.11 0.37 0.00 0.00 175.52 176.09 1tfo h LYS 629 N 0.42 0.13 0.14 6.66 1.57 -0.89 0.91 116.57 125.51 1tfo h LYS 629 Ca 0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1tfo h LYS 629 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1tfo h LYS 629 CO 0.02 0.33 -0.07 0.35 -0.57 0.00 0.00 179.45 179.52 1tfo h PHE 630 N 0.12 -0.17 -0.76 -1.35 3.57 -0.65 0.85 116.94 118.54 1tfo h PHE 630 Ca 0.02 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1tfo h PHE 630 Cb 0.43 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1tfo h PHE 630 CO 0.00 0.23 0.37 -0.09 -2.23 0.00 0.00 178.31 176.59 1tfo h ARG 631 N -0.63 0.57 -0.19 1.11 1.12 0.12 -1.15 114.38 115.33 1tfo h ARG 631 Ca -0.02 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1tfo h ARG 631 Cb 0.48 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 1tfo h ARG 631 CO 0.03 0.38 -0.04 -0.44 -3.11 0.00 0.00 179.97 176.79 1tfo h ASP 632 N 0.59 0.36 -0.08 -3.80 3.32 -0.72 -2.31 116.42 113.78 1tfo h ASP 632 Ca 0.39 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1tfo h ASP 632 Cb 0.49 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1tfo h ASP 632 CO -0.32 0.64 0.06 0.00 -1.72 0.00 0.00 179.24 177.90 1tfo h ALA 633 N 0.73 2.02 -0.01 3.45 0.00 -0.27 0.59 119.26 125.77 1tfo h ALA 633 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tfo h ALA 633 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tfo h ALA 633 CO 0.02 -0.10 -0.04 0.82 0.00 0.00 0.00 179.25 179.95 1tfo h ILE 634 N 0.00 1.50 -0.56 0.00 1.08 -1.02 -2.12 117.51 116.40 1tfo h ILE 634 Ca 0.04 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1tfo h ILE 634 Cb 0.15 2.51 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 1tfo h ILE 634 CO -0.00 0.41 0.35 -0.33 -0.69 0.00 0.00 178.15 177.89 1tfo h GLU 635 N -0.58 0.74 -0.40 2.37 5.08 -0.90 -0.14 114.58 120.76 1tfo h GLU 635 Ca -0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1tfo h GLU 635 Cb 0.69 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1tfo h GLU 635 CO 0.01 0.51 0.27 1.05 -1.00 0.00 0.00 179.01 179.85 1tfo h GLU 636 N 0.75 0.49 0.46 2.33 -0.00 -0.94 0.25 114.58 117.93 1tfo h GLU 636 Ca 0.20 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.51 1tfo h GLU 636 Cb -0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 28.59 1tfo h GLU 636 CO -0.04 0.33 -0.22 1.25 -0.00 0.00 0.00 179.01 180.32 1tfo h HIS 637 N 0.51 -0.57 -0.67 2.06 2.76 -0.53 -0.64 115.15 118.06 1tfo h HIS 637 Ca 0.15 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 1tfo h HIS 637 Cb -0.01 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 1tfo h HIS 637 CO -0.00 -0.26 0.44 -0.07 -1.30 0.00 0.00 177.93 176.75 1tfo h LEU 638 N -0.88 0.56 -0.45 0.26 4.07 -0.45 -2.25 115.31 116.17 1tfo h LEU 638 Ca -0.06 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.73 1tfo h LEU 638 Cb 0.58 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1tfo h LEU 638 CO 0.10 0.36 -0.75 0.28 -1.08 0.00 0.00 178.44 177.35 1tfo h SER 639 N 0.63 0.25 -1.65 -0.43 0.02 -0.40 -3.47 113.55 108.51 1tfo h SER 639 Ca 0.30 -0.17 -0.66 0.00 -0.84 0.00 0.00 61.79 60.41 1tfo h SER 639 Cb 0.34 -0.07 0.10 0.00 0.14 0.00 0.00 62.40 62.90 1tfo h SER 639 CO -0.09 0.91 -0.09 -0.67 -1.14 0.00 0.00 176.83 175.75 1tfo n ASP 640 N -3.75 0.24 0.19 3.07 2.03 -0.26 -4.82 116.55 113.25 1tfo n ASP 640 Ca -0.03 1.15 0.04 0.00 0.52 0.00 0.00 54.79 56.47 1tfo n ASP 640 Cb 0.72 -1.11 0.40 0.00 -0.72 0.00 0.00 41.12 40.41 1tfo n ASP 640 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1tfo h LYS 641 N 2.07 0.00 0.00 -0.67 2.10 -1.89 -2.44 116.57 115.74 1tfo h LYS 641 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1tfo h LYS 641 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1tfo h LYS 641 CO 0.62 0.35 0.00 -0.44 -2.00 0.00 0.00 179.45 177.98 1tfo h ASP 642 N 0.00 0.00 -3.40 7.07 3.32 -1.94 -3.44 116.42 118.04 1tfo h ASP 642 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.50 1tfo h ASP 642 Cb 0.67 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1tfo h ASP 642 CO 0.05 0.00 0.30 -0.89 -1.72 0.00 0.00 179.24 176.97 1tfo s THR 643 N -3.15 4.90 0.04 0.35 2.01 -0.92 -4.42 115.64 114.45 1tfo s THR 643 Ca 0.09 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 63.99 1tfo s THR 643 Cb 0.11 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1tfo s THR 643 CO 0.56 0.19 -0.04 0.68 -0.69 0.00 0.00 174.62 175.33 1tfo s VAL 644 N 0.92 0.23 0.27 3.82 -7.23 -0.39 -4.89 120.40 113.12 1tfo s VAL 644 Ca 0.48 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1tfo s VAL 644 Cb -0.20 -0.99 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 1tfo s VAL 644 CO 0.26 -0.76 1.43 -0.70 -0.31 0.00 0.00 175.10 175.01 1tfo s GLU 645 N -2.82 4.27 -0.27 4.82 2.12 -1.26 -0.69 118.70 124.86 1tfo s GLU 645 Ca -0.03 2.31 -0.01 0.00 0.36 0.00 0.00 54.97 57.60 1tfo s GLU 645 Cb -0.00 -3.10 0.16 0.00 0.26 0.00 0.00 34.13 31.45 1tfo s GLU 645 CO -0.06 -0.40 0.49 0.21 -0.54 0.00 0.00 175.26 174.96 1tfo s LYS 646 N -0.62 0.46 2.25 4.30 2.20 0.17 -4.84 119.74 123.66 1tfo s LYS 646 Ca 0.58 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1tfo s LYS 646 Cb -0.42 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 1tfo s LYS 646 CO 0.45 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1tfo n GLY 647 N 5.40 -0.76 3.73 5.54 0.00 -1.26 -4.32 105.19 113.53 1tfo n GLY 647 Ca -0.02 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 1tfo n GLY 647 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tfo s THR 648 N 0.00 0.00 -0.93 2.61 -1.32 -0.43 -2.31 115.64 113.27 1tfo s THR 648 Ca 0.00 -1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 1tfo s THR 648 Cb 0.00 -1.93 0.24 0.00 -1.51 0.00 0.00 72.50 69.30 1tfo s THR 648 CO 0.00 -0.01 0.87 -0.47 -2.21 0.00 0.00 174.62 172.80 1tfo s TYR 649 N -3.92 3.94 0.15 9.09 6.04 -1.26 -0.96 117.35 130.42 1tfo s TYR 649 Ca 0.13 -2.45 -0.05 0.00 0.04 0.00 0.00 57.07 54.74 1tfo s TYR 649 Cb -0.04 -3.70 0.24 0.00 -1.04 0.00 0.00 41.96 37.42 1tfo s TYR 649 CO 0.05 -0.93 0.82 -2.13 -1.54 0.00 0.00 175.55 171.82 1tfo n ARG 650 N 3.24 -0.05 -0.26 4.97 0.63 -1.26 0.22 116.66 124.15 1tfo n ARG 650 Ca 0.18 0.82 -0.02 0.00 -0.92 0.00 0.00 57.85 57.91 1tfo n ARG 650 Cb 0.42 -1.23 0.04 0.00 0.45 0.00 0.00 32.46 32.14 1tfo n ARG 650 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tfo h ARG 651 N 0.00 -0.08 -5.74 -0.14 2.47 -1.99 -3.26 114.38 105.65 1tfo h ARG 651 Ca 0.25 0.01 -0.62 0.00 -1.26 0.00 0.00 59.98 58.36 1tfo h ARG 651 Cb 0.38 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.59 1tfo h ARG 651 CO -0.54 -0.05 1.06 -2.00 0.56 0.00 0.00 179.97 179.00 1tfo s GLU 652 N -6.07 3.43 0.00 0.04 2.56 0.13 -4.96 118.70 113.83 1tfo s GLU 652 Ca -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 54.97 53.75 1tfo s GLU 652 Cb 0.19 -4.81 0.00 0.00 2.00 0.00 0.00 34.13 31.51 1tfo s GLU 652 CO 0.72 -2.01 0.00 1.17 -0.56 0.00 0.00 175.26 174.58 1tfo n LYS 653 N 8.12 0.00 -1.17 4.30 3.00 -1.23 -0.70 118.16 130.49 1tfo n LYS 653 Ca 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.33 1tfo n LYS 653 Cb 0.49 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.67 1tfo n LYS 653 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tfo n GLY 654 N 0.00 5.23 3.75 3.14 0.00 -1.26 -4.88 105.19 111.18 1tfo n GLY 654 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1tfo n GLY 654 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tfo s SER 655 N -2.34 5.35 -0.00 1.61 1.04 0.13 -4.13 113.70 115.36 1tfo s SER 655 Ca 0.52 2.53 0.08 0.00 0.48 0.00 0.00 55.95 59.55 1tfo s SER 655 Cb 0.44 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 1tfo s SER 655 CO 0.02 -1.49 -0.24 -0.54 0.98 0.00 0.00 173.24 171.97 1tfo s LYS 656 N -3.06 2.09 -0.05 4.02 1.02 -0.37 -4.21 119.74 119.18 1tfo s LYS 656 Ca 0.73 -0.94 0.04 0.00 0.02 0.00 0.00 55.97 55.82 1tfo s LYS 656 Cb -0.34 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1tfo s LYS 656 CO 0.39 0.56 -0.17 0.54 -0.92 0.00 0.00 175.35 175.75 1tfo s VAL 657 N -0.70 2.79 -0.24 3.17 0.11 -0.98 -1.13 120.40 123.42 1tfo s VAL 657 Ca 0.11 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1tfo s VAL 657 Cb -0.10 -2.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1tfo s VAL 657 CO 0.00 0.58 0.00 -0.31 -3.33 0.00 0.00 175.10 172.05 1tfo s TYR 658 N -0.58 3.02 -0.07 1.54 1.51 -0.37 0.44 117.35 122.84 1tfo s TYR 658 Ca 0.08 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1tfo s TYR 658 Cb -0.11 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1tfo s TYR 658 CO 0.01 -0.50 0.03 0.12 -1.11 0.00 0.00 175.55 174.10 1tfo s PHE 659 N 1.52 3.24 -0.23 2.71 5.36 0.13 -2.01 117.98 128.70 1tfo s PHE 659 Ca 0.05 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1tfo s PHE 659 Cb -0.15 -1.79 0.05 0.00 -0.34 0.00 0.00 43.02 40.79 1tfo s PHE 659 CO -0.01 0.52 -0.11 1.21 -1.46 0.00 0.00 175.22 175.37 1tfo s ASN 660 N -1.09 4.00 0.57 6.13 3.84 -0.77 -1.26 114.94 126.35 1tfo s ASN 660 Ca 0.15 -1.18 0.38 0.00 0.21 0.00 0.00 52.86 52.43 1tfo s ASN 660 Cb -0.12 -1.44 2.01 0.00 -0.55 0.00 0.00 41.25 41.15 1tfo s ASN 660 CO 0.05 -0.16 2.16 1.55 -2.79 0.00 0.00 177.10 177.90 1tfo h PRO 661 N 7.85 0.00 0.00 0.43 0.13 -1.88 0.66 132.00 139.20 1tfo h PRO 661 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1tfo h PRO 661 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1tfo h PRO 661 CO 0.48 0.00 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.22 1tfo h ASN 662 N 0.00 0.00 1.45 1.44 -0.26 -1.94 -3.36 115.58 112.90 1tfo h ASN 662 Ca 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1tfo h ASN 662 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1tfo h ASN 662 CO 0.00 0.68 -0.22 0.71 -1.06 0.00 0.00 177.43 177.54 1tfo h THR 663 N -1.00 0.00 -0.30 2.81 1.35 -1.99 -3.47 112.91 110.31 1tfo h THR 663 Ca -0.02 -0.66 -0.13 0.00 -0.55 0.00 0.00 66.41 65.05 1tfo h THR 663 Cb 0.32 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 1tfo h THR 663 CO -0.01 0.00 -0.12 0.23 -0.25 0.00 0.00 175.52 175.37 1tfo n MET 664 N -2.49 -1.01 -2.27 4.72 2.81 0.23 -4.78 117.12 114.33 1tfo n MET 664 Ca 0.04 0.62 -0.30 0.00 -1.81 0.00 0.00 57.70 56.26 1tfo n MET 664 Cb 0.47 -4.58 -0.00 0.00 -0.71 0.00 0.00 33.22 28.40 1tfo n MET 664 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1tfo s ASN 665 N -2.45 6.29 0.01 7.83 0.01 -1.18 0.87 114.94 126.32 1tfo s ASN 665 Ca 0.00 1.22 0.01 0.00 -0.71 0.00 0.00 52.86 53.38 1tfo s ASN 665 Cb 0.00 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 1tfo s ASN 665 CO 0.00 -0.70 -0.03 0.68 -1.51 0.00 0.00 177.10 175.53 1tfo s VAL 666 N -2.91 0.22 -0.07 1.60 -7.23 0.55 -1.85 120.40 110.71 1tfo s VAL 666 Ca 0.52 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1tfo s VAL 666 Cb -0.11 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.60 1tfo s VAL 666 CO 0.47 -0.12 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.34 1tfo s VAL 667 N -0.52 1.10 -0.21 1.32 1.01 -0.85 -0.71 120.40 121.55 1tfo s VAL 667 Ca -0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1tfo s VAL 667 Cb -0.04 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1tfo s VAL 667 CO -0.00 0.35 0.12 -0.63 0.00 0.00 0.00 175.10 174.94 1tfo s ILE 668 N 0.70 5.24 -0.08 2.22 1.01 0.33 -1.24 121.20 129.39 1tfo s ILE 668 Ca -0.14 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1tfo s ILE 668 Cb -0.16 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1tfo s ILE 668 CO 0.03 0.42 -0.17 -0.63 0.00 0.00 0.00 174.94 174.60 1tfo s ILE 669 N 0.56 2.81 0.90 2.92 1.09 -0.28 -0.36 121.20 128.84 1tfo s ILE 669 Ca 0.07 -0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 58.71 1tfo s ILE 669 Cb -0.12 -2.11 0.13 0.00 -1.06 0.00 0.00 42.46 39.30 1tfo s ILE 669 CO 0.00 0.57 1.12 -0.54 -0.10 0.00 0.00 174.94 175.99 1tfo s LYS 670 N -0.27 1.22 0.45 2.79 1.02 0.96 -1.23 119.74 124.68 1tfo s LYS 670 Ca 0.01 0.43 0.22 0.00 0.02 0.00 0.00 55.97 56.64 1tfo s LYS 670 Cb -0.13 -1.84 1.20 0.00 -0.52 0.00 0.00 37.83 36.54 1tfo s LYS 670 CO 0.03 -2.17 1.87 0.77 -0.92 0.00 0.00 175.35 174.92 1tfo h SER 671 N -1.48 0.29 -0.32 2.83 0.02 -1.89 0.81 113.55 113.80 1tfo h SER 671 Ca -0.50 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1tfo h SER 671 Cb 1.32 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1tfo h SER 671 CO 0.60 0.11 0.00 -0.46 -1.14 0.00 0.00 176.83 175.94 1tfo n ASN 672 N -4.45 3.40 0.00 3.07 0.23 -1.26 -4.89 115.26 111.35 1tfo n ASN 672 Ca 0.19 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 51.79 1tfo n ASN 672 Cb 0.77 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1tfo n ASN 672 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1tfo n GLY 673 N 0.43 0.75 3.74 4.83 0.00 0.28 -5.00 105.19 110.21 1tfo n GLY 673 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1tfo n GLY 673 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfo s GLU 674 N -0.23 4.69 0.11 1.61 2.02 -1.26 -4.56 118.70 121.08 1tfo s GLU 674 Ca 0.00 1.60 -0.31 0.00 0.02 0.00 0.00 54.97 56.28 1tfo s GLU 674 Cb 0.00 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 1tfo s GLU 674 CO 0.00 0.22 1.59 0.12 0.02 0.00 0.00 175.26 177.21 1tfo s PHE 675 N -0.44 2.77 -0.16 1.61 5.36 0.13 -0.03 117.98 127.23 1tfo s PHE 675 Ca 0.46 0.52 -0.16 0.00 -0.96 0.00 0.00 56.93 56.79 1tfo s PHE 675 Cb -0.27 -3.92 -0.05 0.00 -0.34 0.00 0.00 43.02 38.44 1tfo s PHE 675 CO 0.33 -3.51 -0.32 -0.11 -1.46 0.00 0.00 175.22 170.15 1tfo n LEU 676 N 4.78 1.82 0.00 6.12 7.94 0.51 -4.86 117.00 133.31 1tfo n LEU 676 Ca 0.15 0.31 -0.02 0.00 -1.11 0.00 0.00 56.01 55.33 1tfo n LEU 676 Cb 0.40 -0.71 0.01 0.00 0.53 0.00 0.00 43.42 43.65 1tfo n LEU 676 CO 0.62 -0.30 0.43 -0.24 -1.11 0.00 0.00 177.39 176.79 1tfo n SER 677 N -4.33 -1.04 -3.63 1.96 2.88 -1.16 -4.99 113.62 103.31 1tfo n SER 677 Ca -0.13 -1.58 -0.03 0.00 -1.33 0.00 0.00 58.87 55.80 1tfo n SER 677 Cb 0.47 1.70 -0.03 0.00 -0.75 0.00 0.00 64.21 65.60 1tfo n SER 677 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1tfo s GLY 678 N -2.66 -0.12 0.08 0.46 0.00 -1.26 0.12 107.32 103.94 1tfo s GLY 678 Ca 0.12 2.17 -0.26 0.00 0.00 0.00 0.00 44.72 46.76 1tfo s GLY 678 CO 0.04 0.80 1.17 0.66 0.00 0.00 0.00 173.10 175.76 1tfo s TRP 679 N -1.73 0.03 -0.13 1.90 -2.14 0.11 -4.82 118.94 112.17 1tfo s TRP 679 Ca 0.10 -0.28 -0.17 0.00 2.66 0.00 0.00 56.10 58.41 1tfo s TRP 679 Cb -0.01 0.62 -0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1tfo s TRP 679 CO -0.05 -0.57 0.43 0.21 -2.66 0.00 0.00 176.95 174.31 1tfo s LYS 680 N -2.18 4.31 0.15 3.25 2.20 -1.26 -0.33 119.74 125.88 1tfo s LYS 680 Ca 0.24 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 1tfo s LYS 680 Cb -0.01 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1tfo s LYS 680 CO 0.02 0.19 1.07 0.42 -0.36 0.00 0.00 175.35 176.68 1tfo s ILE 681 N 0.56 4.06 -0.41 5.43 -1.09 0.25 -4.95 121.20 125.05 1tfo s ILE 681 Ca 0.24 1.72 -0.10 0.00 -2.23 0.00 0.00 60.65 60.28 1tfo s ILE 681 Cb -0.15 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 1tfo s ILE 681 CO 0.09 0.27 0.25 0.21 -1.23 0.00 0.00 174.94 174.53 1tfo s ASN 682 N 0.04 5.68 0.48 3.58 3.84 -1.26 -4.88 114.94 122.42 1tfo s ASN 682 Ca 0.50 -1.35 0.33 0.00 0.21 0.00 0.00 52.86 52.54 1tfo s ASN 682 Cb -0.28 -2.00 1.56 0.00 -0.55 0.00 0.00 41.25 39.98 1tfo s ASN 682 CO 0.33 -0.50 1.98 1.55 -2.79 0.00 0.00 177.10 177.67 1tfo h PRO 683 N 8.43 0.00 -0.00 0.43 0.13 -1.95 -2.36 132.00 136.67 1tfo h PRO 683 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1tfo h PRO 683 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1tfo h PRO 683 CO 0.74 0.00 -0.28 -0.25 -0.23 0.00 0.00 178.00 177.98 1tfo n ASP 684 N -2.76 0.71 -4.78 1.44 10.43 -1.26 -4.16 116.55 116.16 1tfo n ASP 684 Ca -0.00 -0.58 -0.36 0.00 2.57 0.00 0.00 54.79 56.42 1tfo n ASP 684 Cb 0.18 0.09 -0.08 0.00 1.84 0.00 0.00 41.12 43.15 1tfo n ASP 684 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1tfo s ALA 685 N -2.66 3.59 0.29 2.24 0.00 -0.89 -5.00 121.76 119.34 1tfo s ALA 685 Ca 0.21 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1tfo s ALA 685 Cb 0.19 -1.72 0.74 0.00 0.00 0.00 0.00 23.12 22.34 1tfo s ALA 685 CO 0.56 0.61 1.71 -0.44 0.00 0.00 0.00 175.76 178.20 1tfo h ASP 686 N 4.98 0.41 -0.70 0.00 3.32 -1.88 0.31 116.42 122.86 1tfo h ASP 686 Ca -0.53 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1tfo h ASP 686 Cb 1.21 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 1tfo h ASP 686 CO 0.57 0.04 0.45 0.78 -1.72 0.00 0.00 179.24 179.35 1tfo h ASN 687 N 0.45 0.82 0.61 6.45 2.35 -1.95 0.52 115.58 124.83 1tfo h ASN 687 Ca 0.57 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.25 1tfo h ASN 687 Cb 1.06 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 39.23 1tfo h ASN 687 CO -0.50 0.61 -0.29 1.23 -1.65 0.00 0.00 177.43 176.83 1tfo h GLY 688 N 0.95 -0.85 1.06 2.83 0.00 -0.98 -1.67 103.07 104.41 1tfo h GLY 688 Ca 0.26 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.96 1tfo h GLY 688 CO -0.05 -0.31 0.48 0.07 0.00 0.00 0.00 176.54 176.73 1tfo h ARG 689 N -0.95 0.77 -0.69 4.80 0.11 -1.18 -0.83 114.38 116.42 1tfo h ARG 689 Ca -0.08 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.90 1tfo h ARG 689 Cb 0.67 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.54 1tfo h ARG 689 CO 0.14 0.51 0.22 0.82 0.10 0.00 0.00 179.97 181.76 1tfo h ILE 690 N 0.80 1.25 -0.60 0.08 2.04 -0.79 0.88 117.51 121.16 1tfo h ILE 690 Ca 0.31 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1tfo h ILE 690 Cb 0.21 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1tfo h ILE 690 CO -0.10 0.34 0.21 0.22 0.00 0.00 0.00 178.15 178.82 1tfo h TYR 691 N 1.00 0.95 -0.57 1.37 5.03 -0.25 0.93 116.97 125.43 1tfo h TYR 691 Ca 0.22 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1tfo h TYR 691 Cb 0.30 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 1tfo h TYR 691 CO 0.02 0.77 0.31 -0.07 -1.32 0.00 0.00 178.16 177.88 1tfo h LEU 692 N 0.85 0.72 -0.23 2.82 4.07 -0.67 1.74 115.31 124.60 1tfo h LEU 692 Ca 0.20 -0.10 -0.19 0.00 0.08 0.00 0.00 57.88 57.87 1tfo h LEU 692 Cb 0.25 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1tfo h LEU 692 CO -0.01 0.61 -0.90 -0.33 -1.08 0.00 0.00 178.44 176.73 1tfo h GLU 693 N 0.77 0.07 0.00 1.13 5.08 -0.66 -3.39 114.58 117.58 1tfo h GLU 693 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1tfo h GLU 693 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tfo h GLU 693 CO -0.03 0.92 -0.07 0.25 -1.00 0.00 0.00 179.01 179.08 1tfo n THR 694 N -3.54 0.00 -0.54 1.13 -2.24 0.31 -5.01 114.28 104.38 1tfo n THR 694 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1tfo n THR 694 Cb 0.84 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1tfo n THR 694 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tfo n GLY 695 N 0.93 1.82 3.63 3.38 0.00 0.59 -4.91 105.19 110.64 1tfo n GLY 695 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1tfo n GLY 695 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfo s GLU 696 N -0.02 4.05 0.00 1.61 0.41 -1.26 -1.31 118.70 122.18 1tfo s GLU 696 Ca 0.00 1.00 0.26 0.00 -0.41 0.00 0.00 54.97 55.82 1tfo s GLU 696 Cb 0.00 -3.73 0.71 0.00 -1.78 0.00 0.00 34.13 29.33 1tfo s GLU 696 CO 0.00 -0.85 1.55 -0.11 -0.49 0.00 0.00 175.26 175.36