#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc h LYS 723 N 0.00 0.08 0.30 -1.46 1.57 -2.05 -1.46 116.57 113.55 3fwc h LYS 723 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3fwc h LYS 723 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3fwc h LYS 723 CO 0.00 0.20 -0.15 1.96 -0.57 0.00 0.00 179.45 180.90 3fwc h GLN 724 N 0.08 -0.39 -0.06 3.15 1.08 -2.05 -2.46 115.11 114.45 3fwc h GLN 724 Ca 0.02 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3fwc h GLN 724 Cb 0.26 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3fwc h GLN 724 CO 0.02 -0.06 0.03 0.28 -0.95 0.00 0.00 178.83 178.15 3fwc h VAL 725 N -0.93 1.08 0.22 -0.54 2.07 -1.99 -2.17 116.25 114.00 3fwc h VAL 725 Ca -0.04 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fwc h VAL 725 Cb 0.51 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3fwc h VAL 725 CO 0.07 0.07 -0.33 0.40 0.02 0.00 0.00 177.57 177.80 3fwc h ILE 726 N 0.01 0.31 -0.72 4.57 1.08 -1.39 -1.48 117.51 119.89 3fwc h ILE 726 Ca 0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3fwc h ILE 726 Cb 0.08 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.09 3fwc h ILE 726 CO -0.00 0.00 0.41 0.71 -0.69 0.00 0.00 178.15 178.58 3fwc h THR 727 N -0.62 0.98 -0.41 -0.27 1.35 -1.39 -0.38 112.91 112.16 3fwc h THR 727 Ca 0.01 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.58 3fwc h THR 727 Cb 0.60 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.16 3fwc h THR 727 CO -0.13 0.14 0.14 -0.08 -0.25 0.00 0.00 175.52 175.34 3fwc h GLU 728 N 0.75 0.63 -0.72 4.72 4.81 -1.18 -0.37 114.58 123.22 3fwc h GLU 728 Ca 0.32 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3fwc h GLU 728 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3fwc h GLU 728 CO -0.18 0.61 0.19 1.96 -0.73 0.00 0.00 179.01 180.86 3fwc h GLN 729 N 0.52 1.15 -0.29 1.92 4.20 -0.66 0.26 115.11 122.21 3fwc h GLN 729 Ca 0.13 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 3fwc h GLN 729 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3fwc h GLN 729 CO -0.01 1.00 0.02 0.82 -0.67 0.00 0.00 178.83 180.00 3fwc h ILE 730 N 1.09 1.25 -0.55 2.54 2.04 -0.92 -0.56 117.51 122.40 3fwc h ILE 730 Ca 0.23 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 3fwc h ILE 730 Cb 0.36 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3fwc h ILE 730 CO -0.00 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.65 3fwc h ALA 731 N 0.85 0.72 -0.14 1.87 0.00 -0.69 -1.93 119.26 119.94 3fwc h ALA 731 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3fwc h ALA 731 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fwc h ALA 731 CO 0.01 0.33 -0.36 -0.91 0.00 0.00 0.00 179.25 178.32 3fwc h ASN 732 N 0.75 0.31 0.28 0.00 2.35 -0.38 -0.79 115.58 118.11 3fwc h ASN 732 Ca 0.18 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3fwc h ASN 732 Cb 0.20 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3fwc h ASN 732 CO -0.01 0.66 -0.60 0.44 -1.65 0.00 0.00 177.43 176.26 3fwc h ASP 733 N 0.26 0.37 0.17 5.81 5.19 -0.91 -0.50 116.42 126.81 3fwc h ASP 733 Ca 0.03 -0.21 -0.17 0.00 -0.62 0.00 0.00 57.03 56.05 3fwc h ASP 733 Cb 0.76 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 3fwc h ASP 733 CO 0.06 0.88 -0.66 0.25 -3.12 0.00 0.00 179.24 176.65 3fwc h LEU 734 N 0.24 0.53 -0.30 1.55 6.46 -0.94 -0.05 115.31 122.80 3fwc h LEU 734 Ca -0.01 -0.32 -0.20 0.00 -0.12 0.00 0.00 57.88 57.23 3fwc h LEU 734 Cb 1.12 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 3fwc h LEU 734 CO 0.10 1.05 -0.70 0.58 -0.62 0.00 0.00 178.44 178.85 3fwc h VAL 735 N 0.33 1.31 -0.04 1.05 2.07 -1.05 -2.04 116.25 117.89 3fwc h VAL 735 Ca -0.02 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 3fwc h VAL 735 Cb 1.22 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3fwc h VAL 735 CO 0.12 0.61 -0.60 0.50 0.02 0.00 0.00 177.57 178.22 3fwc h LYS 736 N 0.47 0.14 0.34 1.57 3.64 -0.99 -1.18 116.57 120.55 3fwc h LYS 736 Ca -0.03 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3fwc h LYS 736 Cb 1.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3fwc h LYS 736 CO 0.14 0.70 -0.16 1.49 -2.27 0.00 0.00 179.45 179.34 3fwc h GLU 737 N 0.10 -0.44 -0.61 1.90 4.81 -0.85 -0.80 114.58 118.69 3fwc h GLU 737 Ca -0.01 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3fwc h GLU 737 Cb 1.09 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3fwc h GLU 737 CO 0.09 -0.12 0.40 0.28 -0.73 0.00 0.00 179.01 178.93 3fwc h VAL 738 N -0.81 1.13 -0.30 0.32 2.07 -1.38 -2.49 116.25 114.79 3fwc h VAL 738 Ca -0.05 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3fwc h VAL 738 Cb 0.52 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3fwc h VAL 738 CO 0.08 0.15 0.19 0.58 0.02 0.00 0.00 177.57 178.58 3fwc h VAL 739 N 0.80 1.06 -0.07 2.57 2.07 -1.20 -1.87 116.25 119.62 3fwc h VAL 739 Ca 0.23 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 3fwc h VAL 739 Cb -0.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3fwc h VAL 739 CO -0.06 0.07 -0.42 0.78 0.02 0.00 0.00 177.57 177.96 3fwc h ASN 740 N 0.39 0.16 1.39 0.57 4.21 -0.84 -0.56 115.58 120.89 3fwc h ASN 740 Ca 0.11 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.55 3fwc h ASN 740 Cb -0.03 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 3fwc h ASN 740 CO -0.03 0.57 -0.49 0.77 -1.29 0.00 0.00 177.43 176.95 3fwc h SER 741 N 0.13 0.00 -0.03 5.81 4.64 -1.32 -1.07 113.55 121.71 3fwc h SER 741 Ca 0.01 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 3fwc h SER 741 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3fwc h SER 741 CO 0.06 0.02 -0.44 0.28 -0.87 0.00 0.00 176.83 175.88 3fwc h SER 742 N 0.00 0.44 -0.69 4.97 0.02 -0.99 -2.89 113.55 114.41 3fwc h SER 742 Ca 0.00 -0.71 -0.06 0.00 -0.84 0.00 0.00 61.79 60.17 3fwc h SER 742 Cb 0.94 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3fwc h SER 742 CO 0.00 1.09 0.19 0.58 -1.14 0.00 0.00 176.83 177.55 3fwc h VAL 743 N -0.17 1.26 0.03 2.27 2.07 -1.04 0.19 116.25 120.86 3fwc h VAL 743 Ca -0.04 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3fwc h VAL 743 Cb 1.13 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3fwc h VAL 743 CO 0.09 0.36 -0.01 0.40 0.02 0.00 0.00 177.57 178.43 3fwc h ILE 744 N 1.06 1.02 -0.37 4.57 2.04 -1.30 -0.75 117.51 123.78 3fwc h ILE 744 Ca 0.22 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3fwc h ILE 744 Cb 0.34 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3fwc h ILE 744 CO -0.00 0.04 0.04 0.28 0.00 0.00 0.00 178.15 178.51 3fwc h SER 745 N -0.11 0.53 0.63 1.72 0.02 -1.20 -0.99 113.55 114.15 3fwc h SER 745 Ca -0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3fwc h SER 745 Cb 0.09 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.50 3fwc h SER 745 CO 0.01 0.57 -0.30 0.40 -1.14 0.00 0.00 176.83 176.36 3fwc h ILE 746 N 0.55 0.11 -0.24 3.27 2.04 -0.46 -1.52 117.51 121.26 3fwc h ILE 746 Ca 0.12 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.69 3fwc h ILE 746 Cb 0.29 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3fwc h ILE 746 CO 0.01 0.02 0.29 0.58 0.00 0.00 0.00 178.15 179.04 3fwc h VAL 747 N -1.17 0.38 -0.09 1.67 2.07 -0.99 0.30 116.25 118.41 3fwc h VAL 747 Ca -0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3fwc h VAL 747 Cb 0.68 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3fwc h VAL 747 CO 0.14 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.67 3fwc h LYS 748 N 0.00 0.28 -0.30 1.57 1.79 -1.02 -2.71 116.57 116.18 3fwc h LYS 748 Ca 0.11 -0.18 0.06 0.00 -2.18 0.00 0.00 60.65 58.47 3fwc h LYS 748 Cb 0.69 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.30 3fwc h LYS 748 CO -0.00 0.77 -0.11 -0.09 -1.08 0.00 0.00 179.45 178.94 3fwc h ARG 749 N -0.16 -0.04 0.00 3.15 2.43 0.61 -1.62 114.38 118.73 3fwc h ARG 749 Ca 0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3fwc h ARG 749 Cb 0.75 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3fwc h ARG 749 CO 0.04 -0.03 -0.17 0.93 -1.51 0.00 0.00 179.97 179.23 3fwc h GLU 750 N -0.05 0.00 0.00 0.20 4.39 -1.20 -0.00 114.58 117.92 3fwc h GLU 750 Ca 0.15 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3fwc h GLU 750 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3fwc h GLU 750 CO -0.34 0.17 -0.72 0.74 -1.16 0.00 0.00 179.01 177.70 3fwc h PHE 751 N 0.00 0.00 0.00 4.33 -1.00 -1.10 -2.35 116.94 116.82 3fwc h PHE 751 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3fwc h PHE 751 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3fwc h PHE 751 CO 0.00 0.27 -0.94 -1.13 -1.61 0.00 0.00 178.31 174.90 3fwc n SER 752 N -2.98 0.71 -0.06 2.17 3.41 -0.66 -3.25 113.62 112.96 3fwc n SER 752 Ca -0.01 0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.66 3fwc n SER 752 Cb 0.66 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 65.07 3fwc n SER 752 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fwc h GLU 753 N 0.00 0.00 -0.98 4.33 4.39 -1.06 -2.67 114.58 118.59 3fwc h GLU 753 Ca 0.00 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.94 3fwc h GLU 753 Cb 0.86 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.43 3fwc h GLU 753 CO 0.00 0.44 0.65 0.00 -1.16 0.00 0.00 179.01 178.93 3fwc h ALA 754 N -0.58 2.28 -0.12 3.43 0.00 -1.57 0.52 119.26 123.22 3fwc h ALA 754 Ca -0.01 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3fwc h ALA 754 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fwc h ALA 754 CO -0.01 -0.62 -0.63 -0.91 0.00 0.00 0.00 179.25 177.08 3fwc h ASN 755 N 0.37 0.76 0.44 0.00 2.35 -1.65 -1.41 115.58 116.45 3fwc h ASN 755 Ca 0.53 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3fwc h ASN 755 Cb 1.39 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3fwc h ASN 755 CO -0.21 1.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.85 3fwc n TYR 756 N -4.10 0.76 -0.05 1.19 9.36 -0.00 -0.32 117.16 123.99 3fwc n TYR 756 Ca -0.08 0.33 -0.01 0.00 3.32 0.00 0.00 57.90 61.46 3fwc n TYR 756 Cb 0.67 -1.03 -0.00 0.00 -0.63 0.00 0.00 39.34 38.34 3fwc n TYR 756 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3fwc h ARG 757 N 0.00 0.00 -0.98 2.98 3.08 -0.78 -2.63 114.38 116.04 3fwc h ARG 757 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3fwc h ARG 757 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 3fwc h ARG 757 CO 0.00 0.00 0.61 0.87 -1.07 0.00 0.00 179.97 180.38 3fwc h LYS 758 N -0.98 0.91 -0.42 0.04 1.57 -1.08 0.24 116.57 116.85 3fwc h LYS 758 Ca 0.00 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3fwc h LYS 758 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3fwc h LYS 758 CO 0.00 0.60 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.77 3fwc h ASP 759 N 0.94 0.93 -0.18 0.86 3.32 -0.82 -1.75 116.42 119.72 3fwc h ASP 759 Ca 0.50 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3fwc h ASP 759 Cb 0.52 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fwc h ASP 759 CO -0.28 1.14 -0.15 0.15 -1.72 0.00 0.00 179.24 178.38 3fwc h PHE 760 N 0.76 0.50 -0.87 4.55 3.57 -0.70 -2.76 116.94 122.00 3fwc h PHE 760 Ca 0.09 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3fwc h PHE 760 Cb 0.84 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 3fwc h PHE 760 CO 0.05 0.77 0.55 0.82 -2.23 0.00 0.00 178.31 178.27 3fwc h ILE 761 N 0.09 1.12 0.19 1.41 2.04 -0.57 -2.75 117.51 119.04 3fwc h ILE 761 Ca 0.03 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3fwc h ILE 761 Cb 0.67 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3fwc h ILE 761 CO 0.04 0.19 -0.09 0.44 0.00 0.00 0.00 178.15 178.73 3fwc h ASP 762 N 1.06 -0.22 -1.00 1.72 5.19 -1.21 -0.53 116.42 121.43 3fwc h ASP 762 Ca 0.35 -0.25 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3fwc h ASP 762 Cb 0.05 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 3fwc h ASP 762 CO -0.13 0.15 0.66 0.71 -3.12 0.00 0.00 179.24 177.52 3fwc h THR 763 N -0.62 1.24 -0.03 0.35 1.35 -1.50 -2.44 112.91 111.26 3fwc h THR 763 Ca -0.03 -0.46 -0.14 0.00 -0.55 0.00 0.00 66.41 65.24 3fwc h THR 763 Cb 0.45 -0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 3fwc h THR 763 CO 0.04 0.24 -0.60 0.24 -0.25 0.00 0.00 175.52 175.20 3fwc h MET 764 N 1.34 0.11 -0.72 4.72 2.86 -1.44 -1.98 114.93 119.82 3fwc h MET 764 Ca 0.37 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3fwc h MET 764 Cb -0.12 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3fwc h MET 764 CO -0.09 0.68 0.43 1.15 1.06 0.00 0.00 176.91 180.14 3fwc h THR 765 N 0.09 1.21 0.00 2.22 2.02 -0.63 0.33 112.91 118.14 3fwc h THR 765 Ca -0.01 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3fwc h THR 765 Cb 1.08 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3fwc h THR 765 CO 0.09 0.22 -0.32 0.03 0.37 0.00 0.00 175.52 175.91 3fwc h ARG 766 N 0.99 0.00 -0.17 6.66 3.08 -1.25 -2.09 114.38 121.61 3fwc h ARG 766 Ca 0.26 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 3fwc h ARG 766 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3fwc h ARG 766 CO -0.05 0.32 -0.50 0.93 -1.07 0.00 0.00 179.97 179.60 3fwc h GLU 767 N 0.00 0.63 -0.30 0.04 5.08 -0.42 -1.44 114.58 118.18 3fwc h GLU 767 Ca -0.00 -0.45 -0.13 0.00 -1.00 0.00 0.00 59.36 57.78 3fwc h GLU 767 Cb 0.60 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fwc h GLU 767 CO 0.04 1.07 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.75 3fwc h LEU 768 N 0.29 0.78 0.28 1.33 3.38 -0.87 -0.53 115.31 119.97 3fwc h LEU 768 Ca -0.02 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fwc h LEU 768 Cb 1.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3fwc h LEU 768 CO 0.11 1.09 -0.21 0.22 0.09 0.00 0.00 178.44 179.74 3fwc h TYR 769 N 0.48 -0.56 -0.18 1.13 3.20 -1.46 -0.38 116.97 119.20 3fwc h TYR 769 Ca 0.05 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3fwc h TYR 769 Cb 0.88 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3fwc h TYR 769 CO 0.07 -0.33 0.21 -0.44 -1.64 0.00 0.00 178.16 176.04 3fwc h ASP 770 N -0.50 0.00 0.09 -2.11 3.32 -1.11 -0.28 116.42 115.83 3fwc h ASP 770 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3fwc h ASP 770 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3fwc h ASP 770 CO -0.01 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.47 3fwc h ALA 771 N 1.74 -0.12 0.09 3.45 0.00 -0.10 -3.01 119.26 121.32 3fwc h ALA 771 Ca 0.08 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3fwc h ALA 771 Cb 0.50 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3fwc h ALA 771 CO -0.00 -0.28 -0.51 0.74 0.00 0.00 0.00 179.25 179.21 3fwc h PHE 772 N -0.71 -1.47 -0.13 0.00 0.04 0.58 -2.10 116.94 113.16 3fwc h PHE 772 Ca -0.01 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3fwc h PHE 772 Cb 0.55 0.63 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 3fwc h PHE 772 CO 0.10 -0.58 -0.46 -0.07 -0.60 0.00 0.00 178.31 176.70 3fwc h LEU 773 N -0.71 -1.46 -0.98 1.54 3.38 -1.60 0.26 115.31 115.75 3fwc h LEU 773 Ca 0.01 0.19 0.33 0.00 0.09 0.00 0.00 57.88 58.49 3fwc h LEU 773 Cb 0.74 0.58 -0.16 0.00 0.09 0.00 0.00 40.66 41.91 3fwc h LEU 773 CO -0.30 -0.45 0.44 -0.74 0.09 0.00 0.00 178.44 177.48 3fwc h HIS 774 N -0.52 0.69 0.00 1.13 2.76 -1.30 1.01 115.15 118.93 3fwc h HIS 774 Ca 0.06 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3fwc h HIS 774 Cb 0.65 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3fwc h HIS 774 CO -0.52 -0.30 -0.04 1.49 -1.30 0.00 0.00 177.93 177.26 3fwc h GLU 775 N 0.17 0.02 -0.78 5.26 4.81 -0.51 -1.36 114.58 122.20 3fwc h GLU 775 Ca 0.72 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 60.06 3fwc h GLU 775 Cb 1.70 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.03 3fwc h GLU 775 CO -0.70 0.88 0.51 -0.09 -0.73 0.00 0.00 179.01 178.88 3fwc h ARG 776 N -0.82 0.54 -0.07 1.92 9.65 0.13 0.15 114.38 125.87 3fwc h ARG 776 Ca -0.01 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 3fwc h ARG 776 Cb 0.89 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3fwc h ARG 776 CO 0.01 0.36 -0.32 1.25 2.80 0.00 0.00 179.97 184.06 3fwc h LEU 777 N 0.56 0.41 -0.89 3.80 5.85 0.94 -1.82 115.31 124.17 3fwc h LEU 777 Ca 0.38 -0.64 0.11 0.00 0.84 0.00 0.00 57.88 58.57 3fwc h LEU 777 Cb 0.68 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3fwc h LEU 777 CO -0.14 0.98 0.52 0.22 -0.34 0.00 0.00 178.44 179.68 3fwc h TYR 778 N -0.14 0.93 -0.46 1.25 3.20 -0.03 0.11 116.97 121.83 3fwc h TYR 778 Ca -0.02 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 3fwc h TYR 778 Cb 0.97 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3fwc h TYR 778 CO 0.13 0.35 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.74 3fwc h LEU 779 N 0.82 0.96 -0.70 2.82 3.38 -0.66 -0.63 115.31 121.31 3fwc h LEU 779 Ca 0.44 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3fwc h LEU 779 Cb 0.46 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3fwc h LEU 779 CO -0.28 1.13 0.39 0.40 0.09 0.00 0.00 178.44 180.18 3fwc h ILE 780 N 0.79 1.21 0.00 1.22 2.04 -0.55 -0.96 117.51 121.25 3fwc h ILE 780 Ca 0.11 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3fwc h ILE 780 Cb 0.75 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3fwc h ILE 780 CO 0.06 0.23 -0.01 0.22 0.00 0.00 0.00 178.15 178.65 3fwc h TYR 781 N 0.96 0.00 0.30 1.37 3.20 -0.32 -1.03 116.97 121.44 3fwc h TYR 781 Ca 0.25 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3fwc h TYR 781 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3fwc h TYR 781 CO -0.01 0.01 -0.14 0.52 -1.64 0.00 0.00 178.16 176.90 3fwc h MET 782 N 0.00 -0.39 -0.96 1.82 2.86 0.14 -2.64 114.93 115.76 3fwc h MET 782 Ca -0.00 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 57.88 3fwc h MET 782 Cb 0.02 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.65 3fwc h MET 782 CO 0.00 -0.05 0.53 -0.44 1.06 0.00 0.00 176.91 178.01 3fwc h ASP 783 N -0.82 0.59 -0.16 1.22 3.32 -0.70 -2.41 116.42 117.46 3fwc h ASP 783 Ca -0.04 0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3fwc h ASP 783 Cb 0.52 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3fwc h ASP 783 CO 0.07 0.12 -0.41 0.28 -1.72 0.00 0.00 179.24 177.58 3fwc h SER 784 N 0.58 0.63 -0.96 6.45 0.02 -1.18 -0.94 113.55 118.15 3fwc h SER 784 Ca 0.59 -0.58 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3fwc h SER 784 Cb 1.05 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 3fwc h SER 784 CO -0.46 1.10 0.63 0.03 -1.14 0.00 0.00 176.83 176.99 3fwc h ARG 785 N 0.20 1.13 0.05 3.45 2.47 -1.07 -1.96 114.38 118.64 3fwc h ARG 785 Ca -0.01 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3fwc h ARG 785 Cb 1.03 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 3fwc h ARG 785 CO 0.09 0.74 -0.02 0.00 0.56 0.00 0.00 179.97 181.34 3fwc h ALA 786 N 1.46 -0.07 -0.58 0.04 0.00 -1.24 -1.30 119.26 117.57 3fwc h ALA 786 Ca 0.40 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3fwc h ALA 786 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3fwc h ALA 786 CO -0.14 -0.31 0.31 0.93 0.00 0.00 0.00 179.25 180.04 3fwc h GLU 787 N -0.53 0.56 -0.69 0.00 5.08 -1.09 -0.80 114.58 117.12 3fwc h GLU 787 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3fwc h GLU 787 Cb 0.47 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3fwc h GLU 787 CO 0.01 0.37 0.37 -0.07 -1.00 0.00 0.00 179.01 178.69 3fwc h LEU 788 N 0.58 0.86 -0.10 1.33 4.07 -1.32 -0.95 115.31 119.79 3fwc h LEU 788 Ca 0.26 -0.10 0.04 0.00 0.08 0.00 0.00 57.88 58.16 3fwc h LEU 788 Cb 0.16 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 3fwc h LEU 788 CO -0.17 0.72 -0.21 0.50 -1.08 0.00 0.00 178.44 178.20 3fwc h LYS 789 N 0.94 -0.27 -0.32 1.13 1.63 -0.30 0.18 116.57 119.57 3fwc h LYS 789 Ca 0.24 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.11 3fwc h LYS 789 Cb 0.05 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.70 3fwc h LYS 789 CO -0.04 -0.18 0.04 -0.09 -3.45 0.00 0.00 179.45 175.74 3fwc h ARG 790 N -0.28 0.15 -0.80 1.90 9.65 -0.82 -0.96 114.38 123.22 3fwc h ARG 790 Ca 0.09 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3fwc h ARG 790 Cb 0.41 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 3fwc h ARG 790 CO -0.26 0.10 0.41 -0.91 2.80 0.00 0.00 179.97 182.11 3fwc h ASN 791 N 0.15 1.02 -0.40 -3.80 2.35 -0.77 -2.11 115.58 112.01 3fwc h ASN 791 Ca 0.15 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3fwc h ASN 791 Cb 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3fwc h ASN 791 CO -0.22 0.84 0.13 0.28 -1.65 0.00 0.00 177.43 176.81 3fwc h SER 792 N 1.13 0.57 -0.22 5.81 0.02 -0.13 -1.41 113.55 119.32 3fwc h SER 792 Ca 0.28 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3fwc h SER 792 Cb 0.07 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3fwc h SER 792 CO -0.04 0.62 0.14 0.74 -1.14 0.00 0.00 176.83 177.15 3fwc h THR 793 N 0.50 1.08 0.91 -2.27 2.02 -0.94 -0.29 112.91 113.93 3fwc h THR 793 Ca 0.13 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3fwc h THR 793 Cb 0.25 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3fwc h THR 793 CO -0.01 0.08 -0.44 -0.07 0.37 0.00 0.00 175.52 175.45 3fwc h LEU 794 N 0.28 -1.04 -1.44 2.58 3.38 -1.35 -0.84 115.31 116.89 3fwc h LEU 794 Ca 0.08 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3fwc h LEU 794 Cb 0.01 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3fwc h LEU 794 CO -0.02 -0.73 0.51 0.11 0.09 0.00 0.00 178.44 178.41 3fwc h LYS 795 N -1.26 0.57 -0.17 1.13 1.57 -1.17 -0.22 116.57 117.02 3fwc h LYS 795 Ca -0.13 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3fwc h LYS 795 Cb 0.94 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3fwc h LYS 795 CO 0.21 0.38 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.04 3fwc h LYS 796 N 0.59 0.44 0.63 3.15 3.64 -0.99 -2.10 116.57 121.94 3fwc h LYS 796 Ca 0.38 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3fwc h LYS 796 Cb 0.64 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3fwc h LYS 796 CO -0.14 0.82 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.22 3fwc h LYS 797 N 0.09 -0.97 -0.00 1.90 3.64 0.40 -0.99 116.57 120.65 3fwc h LYS 797 Ca 0.02 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3fwc h LYS 797 Cb 0.76 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3fwc h LYS 797 CO 0.05 -0.65 -0.03 1.19 -2.27 0.00 0.00 179.45 177.75 3fwc n PHE 798 N -5.55 0.00 0.05 1.91 3.01 -0.35 -1.21 117.46 115.32 3fwc n PHE 798 Ca -0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.22 3fwc n PHE 798 Cb 0.44 -0.42 -0.13 0.00 -0.01 0.00 0.00 39.48 39.36 3fwc n PHE 798 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3fwc h PHE 799 N 0.02 0.17 -0.03 1.38 3.57 -1.27 -2.81 116.94 117.98 3fwc h PHE 799 Ca 0.00 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3fwc h PHE 799 Cb 0.43 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3fwc h PHE 799 CO 0.00 1.13 -0.01 1.49 -2.23 0.00 0.00 178.31 178.68 3fwc h GLU 800 N 0.03 0.06 0.00 1.11 4.81 -0.38 -2.41 114.58 117.79 3fwc h GLU 800 Ca -0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3fwc h GLU 800 Cb 1.90 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.28 3fwc h GLU 800 CO 0.14 0.45 0.00 -0.22 -0.73 0.00 0.00 179.01 178.65 3fwc h LYS 801 N -0.34 0.00 -0.02 1.92 3.64 -1.27 -2.01 116.57 118.49 3fwc h LYS 801 Ca 0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3fwc h LYS 801 Cb 0.44 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3fwc h LYS 801 CO 0.00 0.00 -0.36 2.35 -2.27 0.00 0.00 179.45 179.17 3fwc h TRP 802 N 0.00 0.39 -0.64 1.91 2.91 -1.28 -3.23 115.95 116.01 3fwc h TRP 802 Ca 0.00 -0.20 0.06 0.00 1.13 0.00 0.00 58.89 59.87 3fwc h TRP 802 Cb 0.40 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.95 3fwc h TRP 802 CO 0.00 0.99 0.35 1.96 -1.03 0.00 0.00 178.44 180.72 3fwc h GLN 803 N -0.32 0.64 0.00 2.65 4.20 -1.01 -2.09 115.11 119.18 3fwc h GLN 803 Ca -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3fwc h GLN 803 Cb 1.08 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3fwc h GLN 803 CO 0.07 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.66 3fwc n ALA 804 N -2.35 1.39 -0.40 3.87 0.00 -0.79 -5.13 120.51 117.10 3fwc n ALA 804 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3fwc n ALA 804 Cb 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3fwc n ALA 804 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93