#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 s SER 752 N 0.00 7.45 -0.36 1.61 0.01 -1.26 -4.94 113.70 116.21 1u89 s SER 752 Ca 0.00 2.01 0.08 0.00 1.31 0.00 0.00 55.95 59.35 1u89 s SER 752 Cb 0.00 -2.61 0.71 0.00 0.21 0.00 0.00 66.02 64.34 1u89 s SER 752 CO 0.00 0.01 1.84 0.00 0.41 0.00 0.00 173.24 175.49 1u89 n HIS 753 N 1.15 2.65 -2.32 2.43 1.44 -1.26 -4.95 115.22 114.36 1u89 n HIS 753 Ca -0.01 -1.40 -0.01 0.00 -2.01 0.00 0.00 57.72 54.29 1u89 n HIS 753 Cb 0.47 -0.77 0.00 0.00 0.12 0.00 0.00 29.99 29.81 1u89 n HIS 753 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1u89 n MET 754 N -0.46 -2.11 -0.06 -1.40 0.00 -1.26 -4.99 117.12 106.84 1u89 n MET 754 Ca 0.47 1.90 0.06 0.00 0.00 0.00 0.00 57.70 60.13 1u89 n MET 754 Cb 1.48 -3.99 0.09 0.00 0.00 0.00 0.00 33.22 30.79 1u89 n MET 754 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1u89 n GLN 755 N 0.24 1.77 -1.12 0.03 1.13 -1.26 -4.85 117.38 113.32 1u89 n GLN 755 Ca 0.02 -2.13 -0.17 0.00 -1.94 0.00 0.00 57.00 52.78 1u89 n GLN 755 Cb 0.08 -1.28 -0.08 0.00 0.11 0.00 0.00 30.24 29.07 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u89 n ALA 756 N -1.05 6.01 -1.57 -1.58 0.00 -1.26 -4.01 120.51 117.06 1u89 n ALA 756 Ca 0.10 -2.09 0.01 0.00 0.00 0.00 0.00 53.44 51.46 1u89 n ALA 756 Cb 0.51 -2.00 0.20 0.00 0.00 0.00 0.00 19.45 18.16 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 757 N 1.52 3.98 -2.49 0.00 0.00 -1.26 -4.81 120.51 117.45 1u89 n ALA 757 Ca 0.39 -3.27 -0.34 0.00 0.00 0.00 0.00 53.44 50.22 1u89 n ALA 757 Cb 0.70 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.65 1u89 n ALA 757 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 758 N -1.11 3.84 0.18 0.00 -1.04 -1.26 -4.72 114.28 110.18 1u89 n THR 758 Ca 0.25 -5.21 0.04 0.00 -2.04 0.00 0.00 64.05 57.09 1u89 n THR 758 Cb 0.83 -1.37 0.31 0.00 -1.82 0.00 0.00 70.33 68.28 1u89 n THR 758 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1u89 h GLU 759 N 3.21 0.00 -0.97 -2.82 4.39 -1.95 -2.23 114.58 114.21 1u89 h GLU 759 Ca 0.39 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.28 1u89 h GLU 759 Cb 0.43 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 1u89 h GLU 759 CO 1.08 0.43 0.56 0.22 -1.16 0.00 0.00 179.01 180.14 1u89 h ASP 760 N 0.00 0.70 0.00 1.42 3.58 -2.02 -3.42 116.42 116.67 1u89 h ASP 760 Ca -0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1u89 h ASP 760 Cb 0.91 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1u89 h ASP 760 CO 0.06 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.25 1u89 n GLY 761 N -1.33 -1.01 0.33 -0.78 0.00 -1.10 -5.01 105.19 96.29 1u89 n GLY 761 Ca 0.23 0.75 0.12 0.00 0.00 0.00 0.00 46.02 47.11 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u89 h GLN 762 N 0.00 0.23 0.49 1.61 4.15 -1.68 0.32 115.11 120.23 1u89 h GLN 762 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1u89 h GLN 762 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1u89 h GLN 762 CO 0.00 0.15 -0.24 -0.07 -1.93 0.00 0.00 178.83 176.74 1u89 h LEU 763 N 0.23 -0.56 -1.10 -2.39 -0.00 -1.93 -0.33 115.31 109.24 1u89 h LEU 763 Ca 0.18 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.99 1u89 h LEU 763 Cb 0.41 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1u89 h LEU 763 CO -0.03 -0.33 -0.39 0.25 -0.00 0.00 0.00 178.44 177.95 1u89 h LEU 764 N -0.81 0.12 0.12 1.67 5.85 -1.87 0.10 115.31 120.50 1u89 h LEU 764 Ca -0.07 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1u89 h LEU 764 Cb 0.51 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1u89 h LEU 764 CO 0.11 0.50 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.57 1u89 h ARG 765 N 0.10 -0.16 0.17 1.25 1.12 -0.45 -2.65 114.38 113.76 1u89 h ARG 765 Ca 0.01 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1u89 h ARG 765 Cb 0.73 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1u89 h ARG 765 CO 0.05 0.32 -0.08 0.78 -3.11 0.00 0.00 179.97 177.93 1u89 h GLY 766 N -0.85 -0.24 0.89 2.80 0.00 -1.00 -2.98 103.07 101.68 1u89 h GLY 766 Ca -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1u89 h GLY 766 CO 0.03 -0.09 -0.05 -2.08 0.00 0.00 0.00 176.54 174.35 1u89 h VAL 767 N -0.77 1.27 -0.12 4.60 2.07 -0.91 -1.81 116.25 120.58 1u89 h VAL 767 Ca -0.02 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1u89 h VAL 767 Cb 0.18 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1u89 h VAL 767 CO 0.04 0.34 -0.09 1.23 0.02 0.00 0.00 177.57 179.11 1u89 h GLY 768 N 0.34 0.02 0.92 2.17 0.00 -1.05 0.51 103.07 105.97 1u89 h GLY 768 Ca 0.08 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1u89 h GLY 768 CO 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 176.54 176.49 1u89 h ALA 769 N 1.01 0.49 -0.37 3.60 0.00 -1.49 -0.95 119.26 121.55 1u89 h ALA 769 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 769 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 769 CO -0.18 0.22 0.11 0.00 0.00 0.00 0.00 179.25 179.40 1u89 h ALA 770 N 0.89 0.48 -0.38 0.00 0.00 -1.01 0.14 119.26 119.38 1u89 h ALA 770 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 770 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 770 CO 0.01 0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.55 1u89 h ALA 771 N 0.95 0.50 -0.43 0.00 0.00 0.06 -0.75 119.26 119.60 1u89 h ALA 771 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 771 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1u89 h ALA 771 CO -0.00 0.10 0.04 1.15 0.00 0.00 0.00 179.25 180.53 1u89 h THR 772 N 0.47 1.22 -0.39 0.00 2.02 -1.03 -0.77 112.91 114.43 1u89 h THR 772 Ca 0.13 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1u89 h THR 772 Cb 0.18 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1u89 h THR 772 CO -0.01 0.30 0.20 0.00 0.37 0.00 0.00 175.52 176.38 1u89 h ALA 773 N 1.40 0.49 -0.14 6.16 0.00 -0.21 0.19 119.26 127.15 1u89 h ALA 773 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 773 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 773 CO 0.01 0.03 0.08 0.28 0.00 0.00 0.00 179.25 179.65 1u89 h VAL 774 N 0.49 1.08 -0.86 0.00 2.07 -0.79 0.14 116.25 118.37 1u89 h VAL 774 Ca 0.13 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1u89 h VAL 774 Cb 0.08 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1u89 h VAL 774 CO -0.02 0.07 0.55 0.74 0.02 0.00 0.00 177.57 178.93 1u89 h THR 775 N 0.15 1.14 -0.36 2.57 2.02 -0.92 0.19 112.91 117.69 1u89 h THR 775 Ca 0.05 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1u89 h THR 775 Cb 0.04 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1u89 h THR 775 CO -0.01 0.20 -0.22 1.56 0.37 0.00 0.00 175.52 177.42 1u89 h GLN 776 N 1.07 0.78 -0.75 6.66 4.20 -0.37 0.18 115.11 126.88 1u89 h GLN 776 Ca 0.34 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1u89 h GLN 776 Cb 0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1u89 h GLN 776 CO -0.12 0.98 0.40 0.00 -0.67 0.00 0.00 178.83 179.42 1u89 h ALA 777 N 0.78 0.96 -0.27 3.87 0.00 -0.26 0.16 119.26 124.50 1u89 h ALA 777 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 777 Cb 0.77 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u89 h ALA 777 CO 0.06 0.49 0.03 1.25 0.00 0.00 0.00 179.25 181.08 1u89 h LEU 778 N 1.04 0.45 -1.14 0.00 5.85 -0.47 -1.85 115.31 119.19 1u89 h LEU 778 Ca 0.26 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1u89 h LEU 778 Cb 0.06 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1u89 h LEU 778 CO -0.04 0.61 0.58 -1.13 -0.34 0.00 0.00 178.44 178.12 1u89 h ASN 779 N 0.27 0.98 0.13 1.25 -0.73 -0.32 0.39 115.58 117.55 1u89 h ASN 779 Ca 0.08 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1u89 h ASN 779 Cb 0.36 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1u89 h ASN 779 CO 0.01 0.69 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.57 1u89 h GLU 780 N 1.15 -0.25 -0.20 6.67 4.57 -0.45 -2.88 114.58 123.19 1u89 h GLU 780 Ca 0.34 0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 58.35 1u89 h GLU 780 Cb -0.05 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1u89 h GLU 780 CO -0.09 -0.16 -0.59 1.25 -1.18 0.00 0.00 179.01 178.24 1u89 h LEU 781 N -0.26 0.86 -0.09 1.64 5.85 -0.82 -2.87 115.31 119.62 1u89 h LEU 781 Ca 0.00 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1u89 h LEU 781 Cb 0.24 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1u89 h LEU 781 CO -0.02 1.30 -0.22 -0.07 -0.34 0.00 0.00 178.44 179.09 1u89 h LEU 782 N 0.47 -0.66 -1.19 2.25 3.38 -0.23 0.25 115.31 119.58 1u89 h LEU 782 Ca -0.02 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1u89 h LEU 782 Cb 1.21 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1u89 h LEU 782 CO 0.13 -0.27 -0.38 0.06 0.09 0.00 0.00 178.44 178.07 1u89 h GLN 783 N -0.30 0.05 -0.39 1.13 3.07 -1.60 -0.96 115.11 116.12 1u89 h GLN 783 Ca 0.09 -0.02 -0.16 0.00 0.09 0.00 0.00 58.65 58.65 1u89 h GLN 783 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1u89 h GLN 783 CO -0.26 0.42 -0.38 1.25 0.09 0.00 0.00 178.83 179.95 1u89 h HIS 784 N 0.04 1.13 -0.14 0.06 2.76 -0.99 -1.00 115.15 117.01 1u89 h HIS 784 Ca 0.00 -0.34 -0.13 0.00 -2.20 0.00 0.00 60.37 57.71 1u89 h HIS 784 Cb 0.69 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1u89 h HIS 784 CO 0.00 1.17 -0.41 0.28 -1.30 0.00 0.00 177.93 177.67 1u89 h VAL 785 N 0.77 1.35 -0.40 5.26 2.07 -0.33 -2.91 116.25 122.07 1u89 h VAL 785 Ca 0.06 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 1u89 h VAL 785 Cb 0.97 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1u89 h VAL 785 CO 0.09 0.51 0.04 0.11 0.02 0.00 0.00 177.57 178.35 1u89 h LYS 786 N 0.16 0.61 -0.36 1.57 1.57 -1.15 -1.91 116.57 117.06 1u89 h LYS 786 Ca -0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u89 h LYS 786 Cb 1.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1u89 h LYS 786 CO 0.09 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 1u89 n ALA 787 N -2.47 2.45 -2.60 3.86 0.00 -0.38 -4.87 120.51 116.49 1u89 n ALA 787 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1u89 n ALA 787 Cb 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1u89 n ALA 787 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u89 n HIS 788 N 0.60 0.00 -2.87 0.00 8.25 -0.72 -5.03 115.22 115.44 1u89 n HIS 788 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1u89 n HIS 788 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 n ALA 789 N -3.00 -3.05 -0.44 -1.41 0.00 -1.24 -4.83 120.51 106.54 1u89 n ALA 789 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1u89 n ALA 789 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1u89 n ALA 789 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 790 N -0.08 0.00 0.00 0.00 -1.04 -1.24 -4.26 114.28 107.67 1u89 n THR 790 Ca 0.08 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1u89 n THR 790 Cb 0.39 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1u89 n THR 790 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u89 n GLY 791 N 1.98 1.51 3.22 3.41 0.00 -1.26 -4.54 105.19 109.51 1u89 n GLY 791 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 792 N -3.00 3.99 0.00 4.61 0.00 -1.26 -4.44 120.51 120.41 1u89 n ALA 792 Ca 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1u89 n ALA 792 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 15.88 1u89 n ALA 792 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 793 N 4.88 2.38 0.02 0.00 0.00 -1.26 -4.42 105.19 106.79 1u89 n GLY 793 Ca 0.50 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u89 n PRO 794 N 0.00 0.03 -2.72 1.61 -0.02 -1.26 -3.61 135.00 129.02 1u89 n PRO 794 Ca 0.00 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1u89 n PRO 794 Cb 0.00 -1.54 0.08 0.00 -0.02 0.00 0.00 33.50 32.01 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u89 n ALA 795 N -1.54 -1.58 -1.21 3.55 0.00 -1.26 -4.80 120.51 113.67 1u89 n ALA 795 Ca 0.05 -1.20 -0.36 0.00 0.00 0.00 0.00 53.44 51.94 1u89 n ALA 795 Cb 0.28 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 1u89 n ALA 795 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 796 N 0.99 3.66 3.67 0.00 0.00 -1.26 -4.91 105.19 107.34 1u89 n GLY 796 Ca 0.05 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1u89 n GLY 796 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u89 s ARG 797 N 3.27 4.19 -0.59 1.61 0.52 -1.26 -4.95 118.95 121.74 1u89 s ARG 797 Ca 0.54 0.35 -0.03 0.00 -0.52 0.00 0.00 55.73 56.07 1u89 s ARG 797 Cb 0.14 -3.55 0.19 0.00 0.52 0.00 0.00 34.95 32.26 1u89 s ARG 797 CO -0.03 -0.11 2.42 0.66 0.02 0.00 0.00 175.30 178.27 1u89 n TYR 798 N 4.65 2.16 -0.24 -0.53 4.01 -1.26 -4.75 117.16 121.19 1u89 n TYR 798 Ca -0.06 -2.14 -0.01 0.00 -0.16 0.00 0.00 57.90 55.54 1u89 n TYR 798 Cb 0.51 -1.29 0.11 0.00 -0.31 0.00 0.00 39.34 38.36 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1u89 h ASP 799 N 2.82 0.58 -0.12 7.72 1.82 -1.99 -0.63 116.42 126.61 1u89 h ASP 799 Ca 0.46 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 57.06 1u89 h ASP 799 Cb 0.51 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1u89 h ASP 799 CO 1.10 0.37 -0.12 1.56 -1.61 0.00 0.00 179.24 180.54 1u89 h GLN 800 N 0.71 0.47 -0.02 0.28 1.08 -1.99 -0.21 115.11 115.43 1u89 h GLN 800 Ca 0.32 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1u89 h GLN 800 Cb 0.21 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1u89 h GLN 800 CO -0.19 0.59 -0.15 0.00 -0.95 0.00 0.00 178.83 178.12 1u89 h ALA 801 N 1.44 0.05 -0.68 3.87 0.00 -1.61 -2.51 119.26 119.82 1u89 h ALA 801 Ca 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 801 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1u89 h ALA 801 CO 0.03 -0.00 0.27 1.79 0.00 0.00 0.00 179.25 181.34 1u89 h THR 802 N -0.47 1.24 -0.42 0.00 1.35 -1.06 -1.25 112.91 112.30 1u89 h THR 802 Ca -0.01 -0.76 0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1u89 h THR 802 Cb 0.83 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1u89 h THR 802 CO 0.03 0.30 0.25 -0.78 -0.25 0.00 0.00 175.52 175.07 1u89 h ASP 803 N 0.97 0.40 -0.31 5.36 1.82 -1.10 -0.77 116.42 122.79 1u89 h ASP 803 Ca 0.23 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1u89 h ASP 803 Cb 0.21 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1u89 h ASP 803 CO -0.02 0.28 0.20 0.74 -1.61 0.00 0.00 179.24 178.83 1u89 h THR 804 N 0.50 1.07 -0.08 2.25 2.02 -1.02 0.06 112.91 117.70 1u89 h THR 804 Ca 0.17 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1u89 h THR 804 Cb 0.02 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1u89 h THR 804 CO -0.08 0.07 -0.05 0.40 0.37 0.00 0.00 175.52 176.23 1u89 h ILE 805 N 0.40 0.84 -0.25 3.11 2.04 -0.91 0.17 117.51 122.90 1u89 h ILE 805 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1u89 h ILE 805 Cb -0.03 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1u89 h ILE 805 CO -0.03 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.05 1u89 h LEU 806 N -0.05 -0.10 -0.37 1.44 3.38 -0.89 0.17 115.31 118.89 1u89 h LEU 806 Ca 0.05 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1u89 h LEU 806 Cb 0.13 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1u89 h LEU 806 CO -0.11 -0.02 0.18 0.74 0.09 0.00 0.00 178.44 179.31 1u89 h THR 807 N 0.08 0.97 0.17 0.22 2.02 -0.58 0.23 112.91 116.02 1u89 h THR 807 Ca 0.12 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1u89 h THR 807 Cb 0.16 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1u89 h THR 807 CO -0.20 0.07 -0.08 0.58 0.37 0.00 0.00 175.52 176.25 1u89 h VAL 808 N 0.37 0.88 -0.59 3.16 2.07 -0.16 0.40 116.25 122.38 1u89 h VAL 808 Ca 0.16 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1u89 h VAL 808 Cb 0.07 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1u89 h VAL 808 CO -0.11 0.05 0.22 0.74 0.02 0.00 0.00 177.57 178.49 1u89 h THR 809 N -0.35 1.23 0.00 2.57 2.02 -0.54 -1.32 112.91 116.53 1u89 h THR 809 Ca -0.02 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1u89 h THR 809 Cb 0.27 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1u89 h THR 809 CO 0.04 0.29 -0.32 -0.08 0.37 0.00 0.00 175.52 175.82 1u89 h GLU 810 N 0.83 0.00 -0.41 6.66 4.57 -0.44 -1.83 114.58 123.96 1u89 h GLU 810 Ca 0.19 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1u89 h GLU 810 Cb 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1u89 h GLU 810 CO -0.01 0.32 0.11 -0.91 -1.18 0.00 0.00 179.01 177.34 1u89 h ASN 811 N 0.00 0.62 -0.37 1.04 2.35 0.65 -2.64 115.58 117.23 1u89 h ASN 811 Ca -0.00 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 1u89 h ASN 811 Cb 0.64 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1u89 h ASN 811 CO 0.04 0.68 0.04 0.40 -1.65 0.00 0.00 177.43 176.94 1u89 h ILE 812 N 0.53 1.22 -0.06 2.81 2.04 -0.66 -0.20 117.51 123.19 1u89 h ILE 812 Ca 0.13 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1u89 h ILE 812 Cb 0.30 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1u89 h ILE 812 CO -0.00 0.31 0.05 -0.26 0.00 0.00 0.00 178.15 178.24 1u89 h PHE 813 N 0.67 0.01 -0.39 1.37 0.04 -1.17 0.19 116.94 117.67 1u89 h PHE 813 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1u89 h PHE 813 Cb 0.36 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1u89 h PHE 813 CO 0.02 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.16 1u89 n SER 814 N -4.52 3.17 -0.11 2.17 7.64 -0.23 -4.12 113.62 117.62 1u89 n SER 814 Ca -0.02 -1.95 0.01 0.00 1.01 0.00 0.00 58.87 57.92 1u89 n SER 814 Cb 0.15 -0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.10 1u89 n SER 814 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1u89 n SER 815 N 1.29 0.50 -4.56 6.43 3.41 -0.22 -5.05 113.62 115.42 1u89 n SER 815 Ca 0.19 -1.51 -0.38 0.00 -0.26 0.00 0.00 58.87 56.90 1u89 n SER 815 Cb 0.55 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1u89 s MET 816 N -0.36 2.54 0.00 4.33 0.00 0.51 -1.25 119.30 125.07 1u89 s MET 816 Ca 0.02 1.17 0.00 0.00 0.00 0.00 0.00 55.69 56.88 1u89 s MET 816 Cb 0.02 -4.45 0.00 0.00 0.00 0.00 0.00 34.83 30.40 1u89 s MET 816 CO 0.00 -2.80 0.00 0.41 0.00 0.00 0.00 175.02 172.63 1u89 n GLY 817 N 5.80 4.48 3.57 2.11 0.00 -1.26 -5.07 105.19 114.81 1u89 n GLY 817 Ca 0.28 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1u89 n GLY 817 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u89 s ASP 818 N 0.00 6.49 0.21 1.61 2.15 -0.38 -4.65 116.67 122.09 1u89 s ASP 818 Ca 0.00 0.11 -0.09 0.00 0.43 0.00 0.00 52.55 52.99 1u89 s ASP 818 Cb 0.00 -2.49 0.15 0.00 -0.30 0.00 0.00 42.92 40.28 1u89 s ASP 818 CO 0.00 -1.21 1.81 0.00 -0.17 0.00 0.00 175.17 175.60 1u89 h ALA 819 N 9.25 0.98 0.37 3.66 0.00 -1.85 -2.19 119.26 129.48 1u89 h ALA 819 Ca -0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1u89 h ALA 819 Cb 1.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1u89 h ALA 819 CO 1.09 0.52 -0.18 0.78 0.00 0.00 0.00 179.25 181.47 1u89 h GLY 820 N 1.07 -0.51 1.35 0.00 0.00 -1.92 0.37 103.07 103.43 1u89 h GLY 820 Ca 0.27 0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.66 1u89 h GLY 820 CO -0.04 -0.19 -0.30 -2.09 0.00 0.00 0.00 176.54 173.92 1u89 h GLU 821 N -0.60 0.74 -0.15 4.80 4.57 -1.93 -0.64 114.58 121.37 1u89 h GLU 821 Ca -0.05 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1u89 h GLU 821 Cb 0.44 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1u89 h GLU 821 CO 0.08 0.95 0.08 0.52 -1.18 0.00 0.00 179.01 179.46 1u89 h MET 822 N 0.63 0.20 -0.67 1.92 2.86 -1.26 0.12 114.93 118.73 1u89 h MET 822 Ca 0.07 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1u89 h MET 822 Cb 0.83 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1u89 h MET 822 CO 0.07 0.19 0.12 0.28 1.06 0.00 0.00 176.91 178.63 1u89 h VAL 823 N 0.15 1.26 0.32 -2.22 2.07 -0.87 -0.77 116.25 116.19 1u89 h VAL 823 Ca 0.05 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1u89 h VAL 823 Cb 0.05 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1u89 h VAL 823 CO -0.01 0.38 -0.40 -0.09 0.02 0.00 0.00 177.57 177.47 1u89 h ARG 824 N 1.02 -0.73 -0.69 1.57 2.43 -0.60 -1.45 114.38 115.93 1u89 h ARG 824 Ca 0.21 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1u89 h ARG 824 Cb 0.42 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1u89 h ARG 824 CO 0.01 -0.49 0.34 1.96 -1.51 0.00 0.00 179.97 180.29 1u89 h GLN 825 N -0.76 0.97 -0.50 0.20 1.08 -0.72 -1.89 115.11 113.48 1u89 h GLN 825 Ca -0.02 -0.12 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1u89 h GLN 825 Cb 0.71 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1u89 h GLN 825 CO -0.11 0.74 0.34 0.00 -0.95 0.00 0.00 178.83 178.84 1u89 h ALA 826 N 1.41 1.90 -0.20 3.87 0.00 -0.66 0.37 119.26 125.96 1u89 h ALA 826 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1u89 h ALA 826 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 826 CO -0.03 0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.24 1u89 h ARG 827 N 0.44 0.35 -0.44 0.00 3.08 -0.44 -2.15 114.38 115.22 1u89 h ARG 827 Ca 0.22 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1u89 h ARG 827 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1u89 h ARG 827 CO -0.06 0.53 -0.10 0.82 -1.07 0.00 0.00 179.97 180.09 1u89 h ILE 828 N 0.12 1.26 -0.23 2.04 2.04 -1.06 -2.11 117.51 119.56 1u89 h ILE 828 Ca 0.06 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1u89 h ILE 828 Cb 0.36 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1u89 h ILE 828 CO 0.01 0.40 0.03 0.25 0.00 0.00 0.00 178.15 178.84 1u89 h LEU 829 N 0.72 -0.03 -0.82 1.44 5.85 -0.22 0.14 115.31 122.39 1u89 h LEU 829 Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1u89 h LEU 829 Cb 0.59 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1u89 h LEU 829 CO 0.04 0.02 0.44 0.00 -0.34 0.00 0.00 178.44 178.59 1u89 h ALA 830 N 1.18 1.06 -0.29 1.25 0.00 -1.18 -1.14 119.26 120.13 1u89 h ALA 830 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 830 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1u89 h ALA 830 CO -0.16 0.58 0.07 0.37 0.00 0.00 0.00 179.25 180.11 1u89 h GLN 831 N 1.15 0.48 -0.04 0.00 5.75 -0.84 -0.97 115.11 120.64 1u89 h GLN 831 Ca 0.29 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1u89 h GLN 831 Cb 0.05 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1u89 h GLN 831 CO -0.04 0.56 0.00 0.00 -2.65 0.00 0.00 178.83 176.70 1u89 h ALA 832 N 0.89 0.05 -0.29 3.38 0.00 -0.46 -2.52 119.26 120.32 1u89 h ALA 832 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 832 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1u89 h ALA 832 CO 0.00 -0.30 -0.14 1.15 0.00 0.00 0.00 179.25 179.96 1u89 h THR 833 N -0.20 1.23 -0.80 0.00 2.02 -1.24 -0.27 112.91 113.66 1u89 h THR 833 Ca 0.01 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.20 1u89 h THR 833 Cb 0.29 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1u89 h THR 833 CO 0.00 0.34 0.49 0.28 0.37 0.00 0.00 175.52 177.00 1u89 h SER 834 N 0.46 0.79 -0.04 4.18 0.02 -1.03 0.15 113.55 118.08 1u89 h SER 834 Ca 0.08 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1u89 h SER 834 Cb 0.51 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1u89 h SER 834 CO 0.03 0.53 -0.70 -0.78 -1.14 0.00 0.00 176.83 174.77 1u89 h ASP 835 N 0.93 0.79 0.17 3.07 3.58 -1.00 -2.34 116.42 121.61 1u89 h ASP 835 Ca 0.34 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 1u89 h ASP 835 Cb 0.10 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1u89 h ASP 835 CO -0.15 1.26 -0.09 0.25 -2.88 0.00 0.00 179.24 177.63 1u89 h LEU 836 N 0.48 -0.23 -0.65 2.28 5.85 -0.34 0.52 115.31 123.22 1u89 h LEU 836 Ca -0.03 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1u89 h LEU 836 Cb 1.30 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1u89 h LEU 836 CO 0.14 -0.16 0.15 0.58 -0.34 0.00 0.00 178.44 178.81 1u89 h VAL 837 N -0.25 1.26 -0.69 1.05 2.07 -0.80 -0.13 116.25 118.76 1u89 h VAL 837 Ca -0.02 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 1u89 h VAL 837 Cb 0.20 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1u89 h VAL 837 CO 0.03 0.36 0.21 -1.13 0.02 0.00 0.00 177.57 177.05 1u89 h ASN 838 N 0.98 1.02 -0.50 0.57 -1.24 -1.22 0.06 115.58 115.24 1u89 h ASN 838 Ca 0.20 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1u89 h ASN 838 Cb 0.37 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1u89 h ASN 838 CO 0.00 0.96 0.26 0.00 -1.29 0.00 0.00 177.43 177.37 1u89 h ALA 839 N 1.09 0.65 -0.41 1.57 0.00 0.53 -0.89 119.26 121.80 1u89 h ALA 839 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u89 h ALA 839 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1u89 h ALA 839 CO -0.00 0.19 0.17 0.82 0.00 0.00 0.00 179.25 180.42 1u89 h ILE 840 N 0.67 1.19 -0.89 0.00 2.04 -0.78 0.35 117.51 120.08 1u89 h ILE 840 Ca 0.18 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1u89 h ILE 840 Cb 0.08 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1u89 h ILE 840 CO -0.03 0.22 0.58 0.11 0.00 0.00 0.00 178.15 179.03 1u89 h LYS 841 N 0.52 1.03 0.00 2.37 1.79 -0.60 0.45 116.57 122.15 1u89 h LYS 841 Ca 0.14 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 1u89 h LYS 841 Cb 0.18 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1u89 h LYS 841 CO -0.01 0.68 -0.35 0.00 -1.08 0.00 0.00 179.45 178.69 1u89 h ALA 842 N 1.50 0.04 -0.18 3.86 0.00 -0.88 -3.24 119.26 120.35 1u89 h ALA 842 Ca 0.37 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 842 Cb 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 842 CO -0.12 0.16 -0.25 0.22 0.00 0.00 0.00 179.25 179.26 1u89 h ASP 843 N -0.42 0.53 0.36 0.00 3.58 0.06 -3.07 116.42 117.46 1u89 h ASP 843 Ca -0.04 -0.51 -0.04 0.00 0.42 0.00 0.00 57.03 56.85 1u89 h ASP 843 Cb 1.10 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1u89 h ASP 843 CO 0.07 0.94 -0.19 0.00 -2.88 0.00 0.00 179.24 177.17 1u89 h ALA 844 N 0.61 1.39 0.00 -0.78 0.00 -0.28 -0.77 119.26 119.42 1u89 h ALA 844 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 844 Cb 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1u89 h ALA 844 CO 0.06 0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.48 1u89 h GLU 845 N 0.00 0.00 0.00 0.00 5.08 -1.56 -2.77 114.58 115.33 1u89 h GLU 845 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1u89 h GLU 845 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1u89 h GLU 845 CO 0.03 0.00 -1.59 0.78 -1.00 0.00 0.00 179.01 177.23 1u89 h GLY 846 N 3.36 0.00 -3.64 -3.84 0.00 -1.13 -3.47 103.07 94.35 1u89 h GLY 846 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1u89 h GLY 846 CO 0.00 0.00 0.55 -2.21 0.00 0.00 0.00 176.54 174.88 1u89 n GLU 847 N -3.00 2.02 0.02 4.80 4.07 -0.69 -4.34 120.64 123.52 1u89 n GLU 847 Ca -0.14 0.72 -0.12 0.00 -0.06 0.00 0.00 57.16 57.56 1u89 n GLU 847 Cb 0.98 -2.45 -0.14 0.00 -0.06 0.00 0.00 31.44 29.77 1u89 n GLU 847 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1u89 h SER 848 N 2.16 0.17 -3.12 4.31 0.02 -1.89 -3.43 113.55 111.76 1u89 h SER 848 Ca -0.49 -0.28 -0.57 0.00 -0.84 0.00 0.00 61.79 59.61 1u89 h SER 848 Cb 1.29 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.68 1u89 h SER 848 CO 0.60 1.24 0.84 -0.62 -1.14 0.00 0.00 176.83 177.75 1u89 s ASP 849 N -6.59 6.38 0.40 3.07 -1.08 -1.26 -4.89 116.67 112.70 1u89 s ASP 849 Ca -0.07 -0.11 0.17 0.00 -0.52 0.00 0.00 52.55 52.02 1u89 s ASP 849 Cb 0.08 -2.51 0.83 0.00 -1.46 0.00 0.00 42.92 39.86 1u89 s ASP 849 CO 0.83 -1.42 1.84 -0.07 0.52 0.00 0.00 175.17 176.86 1u89 h LEU 850 N 11.68 0.00 -0.43 -1.34 -0.00 -1.94 -1.77 115.31 121.52 1u89 h LEU 850 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 1u89 h LEU 850 Cb 1.06 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.70 1u89 h LEU 850 CO 1.16 0.34 0.19 -0.33 -0.00 0.00 0.00 178.44 179.80 1u89 h GLU 851 N 0.00 0.62 -0.12 1.13 4.39 -1.99 0.17 114.58 118.78 1u89 h GLU 851 Ca -0.00 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1u89 h GLU 851 Cb 0.67 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1u89 h GLU 851 CO 0.04 0.56 0.01 -0.97 -1.16 0.00 0.00 179.01 177.49 1u89 h ASN 852 N 0.54 0.19 -0.37 1.42 -1.24 -1.89 -2.66 115.58 111.57 1u89 h ASN 852 Ca 0.14 -0.28 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1u89 h ASN 852 Cb 0.15 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1u89 h ASN 852 CO -0.02 0.42 0.11 0.77 -1.29 0.00 0.00 177.43 177.43 1u89 h SER 853 N -0.04 0.55 -0.50 1.15 4.64 -1.17 -0.24 113.55 117.94 1u89 h SER 853 Ca 0.04 -0.21 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1u89 h SER 853 Cb 0.31 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 1u89 h SER 853 CO 0.00 0.61 0.18 0.03 -0.87 0.00 0.00 176.83 176.78 1u89 h ARG 854 N 0.45 0.34 -0.88 4.77 3.08 -0.71 -0.62 114.38 120.81 1u89 h ARG 854 Ca 0.12 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1u89 h ARG 854 Cb 0.26 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1u89 h ARG 854 CO -0.00 0.23 0.57 0.87 -1.07 0.00 0.00 179.97 180.57 1u89 h LYS 855 N 0.35 1.09 -0.06 0.04 6.56 -1.09 -0.70 116.57 122.76 1u89 h LYS 855 Ca 0.24 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1u89 h LYS 855 Cb 0.25 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1u89 h LYS 855 CO -0.24 0.72 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.79 1u89 h LEU 856 N 1.12 -0.03 -0.87 2.94 3.38 0.38 0.31 115.31 122.54 1u89 h LEU 856 Ca 0.35 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 1u89 h LEU 856 Cb -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1u89 h LEU 856 CO -0.11 -0.01 -0.42 -0.07 0.09 0.00 0.00 178.44 177.92 1u89 h LEU 857 N 0.01 0.32 -0.57 1.67 3.38 -0.95 0.73 115.31 119.90 1u89 h LEU 857 Ca 0.03 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1u89 h LEU 857 Cb 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1u89 h LEU 857 CO -0.05 0.71 -0.13 0.28 0.09 0.00 0.00 178.44 179.34 1u89 h SER 858 N 0.25 1.01 -0.34 -0.43 0.02 -0.76 0.25 113.55 113.55 1u89 h SER 858 Ca 0.02 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.47 1u89 h SER 858 Cb 0.85 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1u89 h SER 858 CO 0.07 1.14 -0.40 0.00 -1.14 0.00 0.00 176.83 176.49 1u89 h ALA 859 N 0.95 0.51 -0.31 3.77 0.00 -0.65 -2.98 119.26 120.55 1u89 h ALA 859 Ca 0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 859 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1u89 h ALA 859 CO 0.05 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.01 1u89 h ALA 860 N 0.73 1.59 -0.65 0.00 0.00 -0.67 -0.98 119.26 119.28 1u89 h ALA 860 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 860 Cb 1.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1u89 h ALA 860 CO 0.10 0.32 0.39 -0.22 0.00 0.00 0.00 179.25 179.84 1u89 h LYS 861 N 0.43 0.88 -0.55 0.00 3.64 -0.80 -0.47 116.57 119.71 1u89 h LYS 861 Ca 0.11 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1u89 h LYS 861 Cb 0.15 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1u89 h LYS 861 CO -0.01 0.63 0.16 0.82 -2.27 0.00 0.00 179.45 178.79 1u89 h ILE 862 N 0.88 1.24 -0.11 2.00 2.04 -1.25 -2.24 117.51 120.08 1u89 h ILE 862 Ca 0.23 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1u89 h ILE 862 Cb -0.03 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1u89 h ILE 862 CO -0.04 0.30 -0.31 -0.07 0.00 0.00 0.00 178.15 178.03 1u89 h LEU 863 N 0.76 -0.95 -0.18 1.44 -0.00 -0.55 0.19 115.31 116.02 1u89 h LEU 863 Ca 0.17 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 863 Cb 0.30 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1u89 h LEU 863 CO -0.00 -0.35 0.09 0.00 -0.00 0.00 0.00 178.44 178.18 1u89 h ALA 864 N 0.42 0.23 -0.25 1.53 0.00 -1.02 -1.06 119.26 119.11 1u89 h ALA 864 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 864 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1u89 h ALA 864 CO -0.33 -0.22 0.01 0.22 0.00 0.00 0.00 179.25 178.93 1u89 h ASP 865 N 0.18 0.43 -0.58 0.00 3.58 -1.20 -2.51 116.42 116.32 1u89 h ASP 865 Ca 0.06 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 1u89 h ASP 865 Cb 0.10 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1u89 h ASP 865 CO -0.01 0.62 0.24 0.00 -2.88 0.00 0.00 179.24 177.21 1u89 h ALA 866 N 0.83 1.26 -0.43 -0.78 0.00 -0.56 -1.45 119.26 118.13 1u89 h ALA 866 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 866 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 866 CO 0.01 0.54 -0.03 1.15 0.00 0.00 0.00 179.25 180.93 1u89 h THR 867 N 0.89 1.24 -0.06 0.00 2.02 -1.03 0.52 112.91 116.48 1u89 h THR 867 Ca 0.21 -0.99 -0.14 0.00 0.77 0.00 0.00 66.41 66.26 1u89 h THR 867 Cb 0.18 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1u89 h THR 867 CO -0.02 0.34 -0.58 0.00 0.37 0.00 0.00 175.52 175.63 1u89 h ALA 868 N 1.30 0.90 -0.59 6.16 0.00 -0.98 0.41 119.26 126.47 1u89 h ALA 868 Ca 0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1u89 h ALA 868 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1u89 h ALA 868 CO 0.02 0.72 0.25 0.87 0.00 0.00 0.00 179.25 181.10 1u89 h LYS 869 N 0.15 0.87 -0.17 0.00 1.57 -0.61 0.28 116.57 118.67 1u89 h LYS 869 Ca -0.00 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1u89 h LYS 869 Cb 1.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1u89 h LYS 869 CO 0.09 0.74 0.02 1.98 -0.57 0.00 0.00 179.45 181.70 1u89 h MET 870 N 0.81 0.28 -0.39 3.15 4.05 -0.56 0.16 114.93 122.42 1u89 h MET 870 Ca 0.20 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1u89 h MET 870 Cb 0.18 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1u89 h MET 870 CO -0.02 0.47 0.06 0.28 0.23 0.00 0.00 176.91 177.93 1u89 h VAL 871 N 0.05 0.77 -0.59 -5.77 2.07 -0.00 0.28 116.25 113.07 1u89 h VAL 871 Ca 0.05 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1u89 h VAL 871 Cb 0.33 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1u89 h VAL 871 CO 0.01 0.03 0.01 -0.08 0.02 0.00 0.00 177.57 177.56 1u89 h GLU 872 N 0.18 1.03 -0.32 1.57 4.22 -0.35 -1.68 114.58 119.21 1u89 h GLU 872 Ca 0.19 -0.32 -0.04 0.00 0.08 0.00 0.00 59.36 59.27 1u89 h GLU 872 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1u89 h GLU 872 CO -0.27 1.01 0.03 0.00 -2.18 0.00 0.00 179.01 177.60 1u89 h ALA 873 N 0.98 0.42 -0.51 2.92 0.00 -0.02 0.71 119.26 123.77 1u89 h ALA 873 Ca 0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 873 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u89 h ALA 873 CO 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 1u89 h ALA 874 N 0.87 0.69 -0.42 0.00 0.00 -0.42 0.18 119.26 120.16 1u89 h ALA 874 Ca 0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 874 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1u89 h ALA 874 CO 0.01 0.53 -0.10 0.87 0.00 0.00 0.00 179.25 180.57 1u89 h LYS 875 N 0.78 0.81 -0.14 0.00 1.57 -1.23 -1.61 116.57 116.75 1u89 h LYS 875 Ca 0.14 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1u89 h LYS 875 Cb 0.58 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1u89 h LYS 875 CO 0.03 0.93 -0.03 0.78 -0.57 0.00 0.00 179.45 180.59 1u89 h GLY 876 N 0.64 0.29 1.15 3.86 0.00 -0.71 -3.01 103.07 105.29 1u89 h GLY 876 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1u89 h GLY 876 CO 0.04 0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.80 1u89 n ALA 877 N -2.34 2.48 0.01 3.60 0.00 0.60 -2.48 120.51 122.39 1u89 n ALA 877 Ca -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1u89 n ALA 877 Cb 0.25 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.26 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 h ALA 878 N 3.61 0.56 -1.07 0.00 0.00 -1.14 -3.39 119.26 117.84 1u89 h ALA 878 Ca 0.00 -0.57 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 1u89 h ALA 878 Cb 0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1u89 h ALA 878 CO 0.00 0.72 1.53 0.00 0.00 0.00 0.00 179.25 181.50 1u89 s ALA 879 N -3.81 2.72 -0.04 0.00 0.00 -1.04 -4.63 121.76 114.96 1u89 s ALA 879 Ca -0.07 -2.29 -0.30 0.00 0.00 0.00 0.00 51.96 49.29 1u89 s ALA 879 Cb 0.10 -4.54 0.11 0.00 0.00 0.00 0.00 23.12 18.79 1u89 s ALA 879 CO 0.86 -3.65 1.02 -3.38 0.00 0.00 0.00 175.76 170.61 1u89 s HIS 880 N 5.14 -0.23 -0.36 0.00 -3.43 -1.26 -5.06 115.29 110.08 1u89 s HIS 880 Ca 0.48 0.11 -0.28 0.00 -0.80 0.00 0.00 55.06 54.57 1u89 s HIS 880 Cb 0.00 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.66 1u89 s HIS 880 CO -0.08 -0.46 2.00 -2.14 -2.00 0.00 0.00 174.74 172.06 1u89 s PRO 881 N -2.88 3.02 0.47 -0.38 0.02 -1.26 -4.82 135.00 129.16 1u89 s PRO 881 Ca 0.08 1.47 0.27 0.00 0.02 0.00 0.00 61.00 62.83 1u89 s PRO 881 Cb -0.01 -4.32 0.92 0.00 0.02 0.00 0.00 34.50 31.11 1u89 s PRO 881 CO -0.06 -2.23 1.82 0.38 -0.33 0.00 0.00 177.00 176.57 1u89 h ASP 882 N 14.64 0.00 -3.32 2.53 2.03 -1.92 -3.41 116.42 126.96 1u89 h ASP 882 Ca -0.33 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.39 1u89 h ASP 882 Cb 1.20 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.63 1u89 h ASP 882 CO 1.06 0.13 0.34 -0.94 -1.03 0.00 0.00 179.24 178.79 1u89 s SER 883 N -6.04 6.93 -1.35 4.15 1.04 -1.26 -4.95 113.70 112.21 1u89 s SER 883 Ca 0.02 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 1u89 s SER 883 Cb 0.09 -2.44 -0.12 0.00 0.10 0.00 0.00 66.02 63.65 1u89 s SER 883 CO 0.62 -0.36 3.08 1.21 0.98 0.00 0.00 173.24 178.76 1u89 n GLU 884 N 5.11 3.42 -3.20 4.02 0.00 -1.26 -4.60 120.64 124.13 1u89 n GLU 884 Ca 0.03 -2.00 -0.27 0.00 0.00 0.00 0.00 57.16 54.93 1u89 n GLU 884 Cb 0.49 -2.66 -0.06 0.00 0.00 0.00 0.00 31.44 29.21 1u89 n GLU 884 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1u89 n GLU 885 N 3.39 2.71 -0.01 5.31 4.71 -1.26 -4.71 120.64 130.77 1u89 n GLU 885 Ca 0.73 -4.66 -0.02 0.00 -0.01 0.00 0.00 57.16 53.20 1u89 n GLU 885 Cb 0.35 -2.19 -0.01 0.00 -1.01 0.00 0.00 31.44 28.58 1u89 n GLU 885 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1u89 n GLN 886 N 0.39 0.05 -2.51 3.49 6.02 -1.26 -5.03 117.38 118.53 1u89 n GLN 886 Ca 0.30 0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 57.06 1u89 n GLN 886 Cb 0.41 -0.91 0.13 0.00 1.02 0.00 0.00 30.24 30.90 1u89 n GLN 886 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1u89 s GLN 887 N -2.04 1.37 -0.09 -1.09 1.11 -1.26 -5.11 119.66 112.54 1u89 s GLN 887 Ca -0.03 -1.12 -0.03 0.00 0.01 0.00 0.00 55.36 54.20 1u89 s GLN 887 Cb 0.01 -2.25 0.04 0.00 -1.01 0.00 0.00 33.01 29.80 1u89 s GLN 887 CO 0.05 -1.71 0.06 -0.65 0.01 0.00 0.00 175.29 173.05 1u89 s GLN 888 N -5.30 0.11 0.00 2.91 -1.52 -1.26 -5.14 119.66 109.46 1u89 s GLN 888 Ca 0.69 0.16 0.32 0.00 -1.95 0.00 0.00 55.36 54.58 1u89 s GLN 888 Cb -0.04 -1.05 1.84 0.00 -0.22 0.00 0.00 33.01 33.54 1u89 s GLN 888 CO 0.46 -0.44 2.19 -2.13 -0.25 0.00 0.00 175.29 175.12