#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 n SER 752 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.05 113.62 112.33 1u89 n SER 752 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1u89 n SER 752 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1u89 n SER 752 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1u89 n HIS 753 N -1.50 -1.26 -3.34 7.33 -0.00 -1.26 -5.12 115.22 110.08 1u89 n HIS 753 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1u89 n HIS 753 Cb 0.00 0.25 -0.08 0.00 -0.00 0.00 0.00 29.99 30.17 1u89 n HIS 753 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1u89 s MET 754 N -0.76 0.36 0.46 1.57 1.75 -1.26 -5.05 119.30 116.37 1u89 s MET 754 Ca 0.00 0.43 0.03 0.00 -1.25 0.00 0.00 55.69 54.90 1u89 s MET 754 Cb 0.00 -0.45 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 1u89 s MET 754 CO 0.00 -0.73 0.07 -0.65 -0.65 0.00 0.00 175.02 173.06 1u89 s GLN 755 N 2.54 2.05 0.32 4.11 -0.21 -1.26 -5.03 119.66 122.18 1u89 s GLN 755 Ca 0.12 -2.28 0.17 0.00 0.02 0.00 0.00 55.36 53.38 1u89 s GLN 755 Cb -0.15 -1.03 0.34 0.00 1.00 0.00 0.00 33.01 33.17 1u89 s GLN 755 CO -0.19 -0.43 1.57 0.00 -2.12 0.00 0.00 175.29 174.12 1u89 h ALA 756 N 1.59 0.80 -0.77 6.09 0.00 -2.08 -3.31 119.26 121.57 1u89 h ALA 756 Ca -0.39 -0.42 -0.41 0.00 0.00 0.00 0.00 54.91 53.69 1u89 h ALA 756 Cb 1.29 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 1u89 h ALA 756 CO 0.65 0.58 -0.98 0.00 0.00 0.00 0.00 179.25 179.50 1u89 n ALA 757 N -2.26 3.86 -2.33 0.00 0.00 -1.26 -5.01 120.51 113.51 1u89 n ALA 757 Ca 0.01 -3.37 -0.35 0.00 0.00 0.00 0.00 53.44 49.73 1u89 n ALA 757 Cb 0.64 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1u89 n ALA 757 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u89 s THR 758 N -4.20 3.69 -1.37 0.00 -4.23 -1.25 -4.78 115.64 103.49 1u89 s THR 758 Ca 0.38 -0.48 0.27 0.00 -1.18 0.00 0.00 61.69 60.68 1u89 s THR 758 Cb 0.38 -4.58 0.44 0.00 1.34 0.00 0.00 72.50 70.08 1u89 s THR 758 CO -0.02 -1.49 1.91 -0.62 -0.54 0.00 0.00 174.62 173.86 1u89 n GLU 759 N 8.93 0.33 0.26 3.99 4.71 -1.26 -2.25 120.64 135.35 1u89 n GLU 759 Ca 0.33 0.03 0.15 0.00 -0.01 0.00 0.00 57.16 57.66 1u89 n GLU 759 Cb 0.49 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 30.01 1u89 n GLU 759 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1u89 h ASP 760 N 0.00 0.00 -0.83 1.62 2.03 -1.87 -3.17 116.42 114.20 1u89 h ASP 760 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 1u89 h ASP 760 Cb 0.28 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.67 1u89 h ASP 760 CO 0.00 0.07 1.61 0.61 -1.03 0.00 0.00 179.24 180.50 1u89 n GLY 761 N 0.13 4.53 1.17 7.15 0.00 -0.95 -4.48 105.19 112.73 1u89 n GLY 761 Ca 0.01 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.23 1u89 n GLY 761 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u89 n GLN 762 N 1.79 2.75 0.17 1.61 7.27 -1.20 -4.54 117.38 125.23 1u89 n GLN 762 Ca 0.58 -2.98 -0.14 0.00 0.07 0.00 0.00 57.00 54.53 1u89 n GLN 762 Cb 0.43 -1.91 -0.07 0.00 2.41 0.00 0.00 30.24 31.10 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1u89 h LEU 763 N 1.71 -0.50 0.01 1.69 -0.00 -1.89 -0.87 115.31 115.46 1u89 h LEU 763 Ca 0.12 0.04 -0.37 0.00 -0.00 0.00 0.00 57.88 57.66 1u89 h LEU 763 Cb 1.68 0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 42.44 1u89 h LEU 763 CO 0.37 -0.30 -2.33 0.18 -0.00 0.00 0.00 178.44 176.36 1u89 n LEU 764 N -5.32 1.66 -0.19 1.67 4.32 -1.26 -3.43 117.00 114.46 1u89 n LEU 764 Ca -0.09 -0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.85 1u89 n LEU 764 Cb 0.23 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1u89 n LEU 764 CO 0.32 0.72 1.08 0.03 -1.22 0.00 0.00 177.39 178.32 1u89 h ARG 765 N 0.01 0.65 0.00 3.23 2.47 -1.80 -2.65 114.38 116.29 1u89 h ARG 765 Ca -0.53 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.15 1u89 h ARG 765 Cb 2.05 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 30.23 1u89 h ARG 765 CO -0.01 0.43 -0.92 0.41 0.56 0.00 0.00 179.97 180.44 1u89 n GLY 766 N -1.25 -0.62 0.30 0.04 0.00 -0.38 -4.33 105.19 98.96 1u89 n GLY 766 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1u89 n GLY 766 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u89 h VAL 767 N -1.00 1.20 -0.37 1.61 2.07 -1.46 -0.96 116.25 117.35 1u89 h VAL 767 Ca -0.01 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1u89 h VAL 767 Cb 0.91 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1u89 h VAL 767 CO -0.00 0.20 0.15 1.23 0.02 0.00 0.00 177.57 179.16 1u89 h GLY 768 N 1.05 0.48 0.95 2.17 0.00 -1.50 0.38 103.07 106.60 1u89 h GLY 768 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 1u89 h GLY 768 CO -0.06 0.06 -0.15 0.00 0.00 0.00 0.00 176.54 176.38 1u89 h ALA 769 N 1.22 0.47 -0.38 3.60 0.00 -1.57 -2.30 119.26 120.30 1u89 h ALA 769 Ca 0.16 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 769 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u89 h ALA 769 CO -0.14 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 1u89 h ALA 770 N 0.78 0.52 -0.59 0.00 0.00 -0.88 -1.31 119.26 117.78 1u89 h ALA 770 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 770 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1u89 h ALA 770 CO 0.05 0.40 0.32 0.00 0.00 0.00 0.00 179.25 180.03 1u89 h ALA 771 N 0.82 0.76 -0.29 0.00 0.00 -0.25 -2.17 119.26 118.13 1u89 h ALA 771 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 771 Cb 0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1u89 h ALA 771 CO 0.04 0.28 -0.15 1.15 0.00 0.00 0.00 179.25 180.57 1u89 h THR 772 N 0.80 1.24 -0.67 0.00 2.02 -1.31 -1.47 112.91 113.52 1u89 h THR 772 Ca 0.21 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.33 1u89 h THR 772 Cb 0.05 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1u89 h THR 772 CO -0.03 0.35 0.43 0.00 0.37 0.00 0.00 175.52 176.64 1u89 h ALA 773 N 1.38 0.86 -0.44 6.16 0.00 -0.66 0.20 119.26 126.77 1u89 h ALA 773 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 773 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1u89 h ALA 773 CO 0.03 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.94 1u89 h VAL 774 N 0.87 1.22 -0.41 0.00 2.07 -1.03 -0.28 116.25 118.67 1u89 h VAL 774 Ca 0.26 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1u89 h VAL 774 Cb -0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1u89 h VAL 774 CO -0.08 0.26 0.21 0.74 0.02 0.00 0.00 177.57 178.72 1u89 h THR 775 N 0.56 0.98 -0.43 2.57 2.02 -0.55 0.24 112.91 118.31 1u89 h THR 775 Ca 0.14 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1u89 h THR 775 Cb 0.25 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1u89 h THR 775 CO -0.01 0.08 -0.20 1.56 0.37 0.00 0.00 175.52 177.32 1u89 h GLN 776 N 0.43 0.89 -0.40 6.66 4.20 -0.51 0.30 115.11 126.68 1u89 h GLN 776 Ca 0.18 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1u89 h GLN 776 Cb 0.07 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1u89 h GLN 776 CO -0.12 1.04 0.08 0.00 -0.67 0.00 0.00 178.83 179.16 1u89 h ALA 777 N 0.83 0.53 -0.46 3.87 0.00 -0.72 -1.76 119.26 121.54 1u89 h ALA 777 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 777 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1u89 h ALA 777 CO 0.06 0.22 0.01 1.25 0.00 0.00 0.00 179.25 180.79 1u89 h LEU 778 N 0.51 0.80 -1.23 0.00 5.85 -0.46 -2.69 115.31 118.09 1u89 h LEU 778 Ca 0.12 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1u89 h LEU 778 Cb 0.34 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1u89 h LEU 778 CO 0.00 0.90 0.54 0.78 -0.34 0.00 0.00 178.44 180.33 1u89 h ASN 779 N 0.67 0.84 0.20 1.25 2.35 -0.80 0.11 115.58 120.19 1u89 h ASN 779 Ca 0.13 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1u89 h ASN 779 Cb 0.49 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1u89 h ASN 779 CO 0.02 0.56 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.19 1u89 h GLU 780 N 0.97 -0.25 -0.34 0.81 4.57 -1.01 -3.08 114.58 116.24 1u89 h GLU 780 Ca 0.34 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.41 1u89 h GLU 780 Cb 0.13 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1u89 h GLU 780 CO -0.11 -0.15 -0.31 1.25 -1.18 0.00 0.00 179.01 178.50 1u89 h LEU 781 N -0.28 0.77 -0.04 1.64 5.85 -1.12 -2.87 115.31 119.26 1u89 h LEU 781 Ca -0.03 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1u89 h LEU 781 Cb 0.22 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1u89 h LEU 781 CO 0.04 1.03 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.87 1u89 h LEU 782 N 0.63 -0.68 -0.76 2.25 3.38 -0.72 0.33 115.31 119.74 1u89 h LEU 782 Ca 0.07 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1u89 h LEU 782 Cb 0.84 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1u89 h LEU 782 CO 0.07 -0.29 -0.38 1.56 0.09 0.00 0.00 178.44 179.49 1u89 h GLN 783 N -0.34 0.49 -0.32 1.13 1.08 -1.59 -0.07 115.11 115.48 1u89 h GLN 783 Ca 0.07 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1u89 h GLN 783 Cb 0.44 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1u89 h GLN 783 CO -0.23 0.79 -0.02 1.25 -0.95 0.00 0.00 178.83 179.67 1u89 h HIS 784 N 0.41 0.52 0.01 2.96 2.76 -1.11 -2.01 115.15 118.68 1u89 h HIS 784 Ca 0.04 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1u89 h HIS 784 Cb 0.85 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1u89 h HIS 784 CO 0.03 0.53 -0.04 0.28 -1.30 0.00 0.00 177.93 177.43 1u89 h VAL 785 N 0.48 1.75 -0.58 5.26 2.07 -0.06 -3.27 116.25 121.91 1u89 h VAL 785 Ca 0.10 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.42 1u89 h VAL 785 Cb 0.35 3.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1u89 h VAL 785 CO 0.01 0.59 0.39 0.11 0.02 0.00 0.00 177.57 178.69 1u89 h LYS 786 N -0.93 0.53 -0.63 1.57 1.57 -0.91 0.29 116.57 118.07 1u89 h LYS 786 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1u89 h LYS 786 Cb 0.99 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1u89 h LYS 786 CO 0.01 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 1u89 n ALA 787 N -2.49 2.91 -0.74 3.86 0.00 -0.77 -4.30 120.51 118.99 1u89 n ALA 787 Ca 0.08 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1u89 n ALA 787 Cb 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.96 -0.16 0.00 0.00 8.25 -0.09 -4.96 115.22 119.22 1u89 n HIS 788 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1u89 n HIS 788 Cb 0.73 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -1.39 0.00 -1.51 -1.41 0.00 0.83 -1.54 120.51 115.49 1u89 n ALA 789 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1u89 n ALA 789 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 3.35 0.00 0.00 -1.04 -1.26 -4.77 114.28 110.57 1u89 n THR 790 Ca 0.00 -3.26 0.00 0.00 -2.04 0.00 0.00 64.05 58.75 1u89 n THR 790 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.87 1.40 1.27 3.41 0.00 -0.83 -3.89 105.19 105.68 1u89 n GLY 791 Ca 0.58 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 4.47 -2.47 4.61 0.00 -1.25 -4.68 120.51 121.19 1u89 n ALA 792 Ca 0.00 -3.23 -0.43 0.00 0.00 0.00 0.00 53.44 49.78 1u89 n ALA 792 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1u89 n ALA 792 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u89 s GLY 793 N -2.63 1.94 0.13 0.00 0.00 -0.59 -4.94 107.32 101.22 1u89 s GLY 793 Ca 0.46 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.51 1u89 s GLY 793 CO -0.01 2.29 1.77 -2.55 0.00 0.00 0.00 173.10 174.60 1u89 h PRO 794 N 7.69 0.25 0.00 2.90 0.11 -1.85 -3.39 132.00 137.72 1u89 h PRO 794 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1u89 h PRO 794 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1u89 h PRO 794 CO 0.92 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.87 1u89 n ALA 795 N -2.20 0.00 -0.18 -0.75 0.00 -1.26 -4.76 120.51 111.35 1u89 n ALA 795 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1u89 n ALA 795 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 -0.65 2.32 0.00 0.00 -1.26 -4.98 105.19 100.63 1u89 n GLY 796 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 1u89 n GLY 796 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1u89 n ARG 797 N 0.00 -3.75 -1.39 1.61 0.63 -1.26 -4.13 116.66 108.37 1u89 n ARG 797 Ca 0.00 2.90 -0.13 0.00 -0.92 0.00 0.00 57.85 59.70 1u89 n ARG 797 Cb 0.00 -4.19 -0.06 0.00 0.45 0.00 0.00 32.46 28.66 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1u89 n TYR 798 N 1.37 -0.36 0.12 -0.14 4.01 -1.26 -4.81 117.16 116.10 1u89 n TYR 798 Ca -0.30 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.42 1u89 n TYR 798 Cb 0.46 -2.60 0.11 0.00 -0.31 0.00 0.00 39.34 37.00 1u89 n TYR 798 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1u89 h ASP 799 N 0.00 0.00 0.16 7.72 2.03 -1.99 -1.89 116.42 122.45 1u89 h ASP 799 Ca -0.27 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.74 1u89 h ASP 799 Cb 0.88 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.40 1u89 h ASP 799 CO 0.40 0.69 -1.16 1.56 -1.03 0.00 0.00 179.24 179.71 1u89 h GLN 800 N 0.00 0.60 -0.43 4.15 7.50 -1.93 -2.68 115.11 122.32 1u89 h GLN 800 Ca -0.01 -0.74 0.03 0.00 0.50 0.00 0.00 58.65 58.43 1u89 h GLN 800 Cb 1.26 0.24 -0.03 0.00 0.05 0.00 0.00 27.48 28.99 1u89 h GLN 800 CO 0.09 1.32 0.23 0.00 -1.50 0.00 0.00 178.83 178.97 1u89 h ALA 801 N 0.39 0.53 -0.59 3.87 0.00 -1.92 0.19 119.26 121.74 1u89 h ALA 801 Ca -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 801 Cb 1.83 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1u89 h ALA 801 CO 0.22 -0.12 0.25 1.79 0.00 0.00 0.00 179.25 181.39 1u89 h THR 802 N 0.46 1.22 -0.88 0.00 1.35 -1.41 -1.29 112.91 112.36 1u89 h THR 802 Ca 0.18 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 1u89 h THR 802 Cb 0.06 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.00 1u89 h THR 802 CO -0.11 0.26 0.46 -0.78 -0.25 0.00 0.00 175.52 175.11 1u89 h ASP 803 N 0.81 1.12 -0.06 5.36 1.82 -1.08 0.24 116.42 124.64 1u89 h ASP 803 Ca 0.20 -0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1u89 h ASP 803 Cb 0.18 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1u89 h ASP 803 CO -0.02 0.92 0.01 0.74 -1.61 0.00 0.00 179.24 179.28 1u89 h THR 804 N 1.25 0.98 0.01 2.25 2.02 -0.18 -0.01 112.91 119.23 1u89 h THR 804 Ca 0.31 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1u89 h THR 804 Cb 0.06 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1u89 h THR 804 CO -0.05 0.01 -0.04 0.40 0.37 0.00 0.00 175.52 176.21 1u89 h ILE 805 N 0.04 0.91 -0.45 3.11 2.04 -0.85 0.44 117.51 122.75 1u89 h ILE 805 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1u89 h ILE 805 Cb 0.02 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1u89 h ILE 805 CO -0.03 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.06 1u89 h LEU 806 N -0.07 -0.17 -0.39 1.44 3.38 -0.81 0.22 115.31 118.92 1u89 h LEU 806 Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1u89 h LEU 806 Cb 0.08 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1u89 h LEU 806 CO -0.03 -0.05 0.25 0.74 0.09 0.00 0.00 178.44 179.45 1u89 h THR 807 N 0.12 1.10 -0.19 0.22 2.02 -0.63 0.11 112.91 115.65 1u89 h THR 807 Ca 0.22 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1u89 h THR 807 Cb 0.32 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1u89 h THR 807 CO -0.36 0.10 0.05 0.58 0.37 0.00 0.00 175.52 176.26 1u89 h VAL 808 N 0.52 1.20 -0.79 3.16 2.07 -0.11 0.41 116.25 122.71 1u89 h VAL 808 Ca 0.14 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1u89 h VAL 808 Cb -0.06 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1u89 h VAL 808 CO -0.03 0.20 0.30 0.74 0.02 0.00 0.00 177.57 178.80 1u89 h THR 809 N 0.13 1.26 -0.64 2.57 2.02 -0.48 -0.36 112.91 117.41 1u89 h THR 809 Ca 0.06 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1u89 h THR 809 Cb 0.26 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1u89 h THR 809 CO -0.00 0.34 0.24 -0.08 0.37 0.00 0.00 175.52 176.39 1u89 h GLU 810 N 1.15 0.94 -0.70 6.66 4.81 -0.54 -1.79 114.58 125.11 1u89 h GLU 810 Ca 0.26 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1u89 h GLU 810 Cb 0.24 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1u89 h GLU 810 CO -0.02 0.78 0.41 -0.91 -0.73 0.00 0.00 179.01 178.54 1u89 h ASN 811 N 0.92 0.85 -0.58 1.04 2.35 0.79 -1.08 115.58 119.87 1u89 h ASN 811 Ca 0.21 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1u89 h ASN 811 Cb 0.21 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1u89 h ASN 811 CO -0.02 0.67 0.20 0.40 -1.65 0.00 0.00 177.43 177.03 1u89 h ILE 812 N 0.95 1.23 -0.33 2.81 2.04 -0.66 0.27 117.51 123.82 1u89 h ILE 812 Ca 0.25 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1u89 h ILE 812 Cb -0.01 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1u89 h ILE 812 CO -0.05 0.31 0.22 -0.26 0.00 0.00 0.00 178.15 178.37 1u89 h PHE 813 N 0.90 0.42 -0.04 1.37 0.04 -0.66 -0.77 116.94 118.20 1u89 h PHE 813 Ca 0.20 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1u89 h PHE 813 Cb 0.25 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1u89 h PHE 813 CO 0.02 0.26 -0.01 0.77 -0.60 0.00 0.00 178.31 178.75 1u89 h SER 814 N 0.45 0.07 -0.44 2.17 0.02 -0.77 -3.10 113.55 111.95 1u89 h SER 814 Ca 0.12 -0.36 -0.24 0.00 -0.84 0.00 0.00 61.79 60.47 1u89 h SER 814 Cb -0.05 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.34 1u89 h SER 814 CO -0.03 0.41 0.31 -1.20 -1.14 0.00 0.00 176.83 175.18 1u89 n SER 815 N -4.87 3.84 -4.58 3.07 7.64 0.92 -4.89 113.62 114.76 1u89 n SER 815 Ca -0.07 -2.76 -0.41 0.00 1.01 0.00 0.00 58.87 56.64 1u89 n SER 815 Cb 0.21 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1u89 s MET 816 N -1.49 2.96 0.00 1.43 0.00 -0.30 -0.95 119.30 120.94 1u89 s MET 816 Ca 0.26 1.11 0.00 0.00 0.00 0.00 0.00 55.69 57.06 1u89 s MET 816 Cb 0.21 -4.30 0.00 0.00 0.00 0.00 0.00 34.83 30.74 1u89 s MET 816 CO 0.04 -2.31 0.00 0.41 0.00 0.00 0.00 175.02 173.16 1u89 n GLY 817 N 5.57 1.50 3.52 2.11 0.00 -1.26 -5.04 105.19 111.60 1u89 n GLY 817 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.05 6.84 0.12 1.61 -1.08 -0.13 -4.89 116.67 118.08 1u89 s ASP 818 Ca 0.00 -2.42 -0.32 0.00 -0.52 0.00 0.00 52.55 49.29 1u89 s ASP 818 Cb 0.00 -2.50 -0.10 0.00 -1.46 0.00 0.00 42.92 38.86 1u89 s ASP 818 CO 0.00 -1.07 1.57 0.00 0.52 0.00 0.00 175.17 176.19 1u89 h ALA 819 N 7.94 -0.79 -0.43 3.66 0.00 -1.93 0.51 119.26 128.22 1u89 h ALA 819 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u89 h ALA 819 Cb 0.91 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1u89 h ALA 819 CO 1.34 -1.03 0.28 0.78 0.00 0.00 0.00 179.25 180.62 1u89 h GLY 820 N -0.61 0.60 0.99 0.00 0.00 -1.93 -0.30 103.07 101.82 1u89 h GLY 820 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1u89 h GLY 820 CO -0.36 0.21 0.25 -2.09 0.00 0.00 0.00 176.54 174.55 1u89 h GLU 821 N 0.56 0.84 -0.30 4.80 4.57 -1.82 0.85 114.58 124.08 1u89 h GLU 821 Ca 0.16 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1u89 h GLU 821 Cb -0.05 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1u89 h GLU 821 CO -0.04 0.70 0.19 0.52 -1.18 0.00 0.00 179.01 179.20 1u89 h MET 822 N 0.78 0.38 -0.67 1.92 2.86 0.40 0.72 114.93 121.32 1u89 h MET 822 Ca 0.19 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1u89 h MET 822 Cb 0.16 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1u89 h MET 822 CO -0.02 0.25 0.30 0.28 1.06 0.00 0.00 176.91 178.78 1u89 h VAL 823 N 0.39 1.23 -0.11 -2.22 2.07 -0.86 0.18 116.25 116.93 1u89 h VAL 823 Ca 0.11 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1u89 h VAL 823 Cb -0.03 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1u89 h VAL 823 CO -0.03 0.28 -0.13 -0.09 0.02 0.00 0.00 177.57 177.62 1u89 h ARG 824 N 0.94 -0.16 -0.35 1.57 1.12 -0.22 0.55 114.38 117.82 1u89 h ARG 824 Ca 0.23 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.03 1u89 h ARG 824 Cb 0.16 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1u89 h ARG 824 CO -0.02 -0.11 -0.09 1.96 -3.11 0.00 0.00 179.97 178.60 1u89 h GLN 825 N -0.16 0.60 -0.55 0.20 1.08 -0.64 -2.67 115.11 112.96 1u89 h GLN 825 Ca 0.08 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1u89 h GLN 825 Cb 0.28 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1u89 h GLN 825 CO -0.21 0.68 0.23 0.00 -0.95 0.00 0.00 178.83 178.58 1u89 h ALA 826 N 1.35 0.71 0.00 3.87 0.00 0.32 0.46 119.26 125.97 1u89 h ALA 826 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 826 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u89 h ALA 826 CO 0.03 0.31 -0.42 0.07 0.00 0.00 0.00 179.25 179.24 1u89 h ARG 827 N 0.74 0.00 -0.28 0.00 0.11 -0.81 0.11 114.38 114.26 1u89 h ARG 827 Ca 0.18 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.14 1u89 h ARG 827 Cb 0.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 1u89 h ARG 827 CO -0.02 0.42 -0.32 0.82 0.10 0.00 0.00 179.97 180.97 1u89 h ILE 828 N 0.00 1.30 -0.42 0.08 2.04 -1.06 -2.75 117.51 116.70 1u89 h ILE 828 Ca -0.00 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.42 1u89 h ILE 828 Cb 0.80 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1u89 h ILE 828 CO 0.05 0.48 0.13 0.25 0.00 0.00 0.00 178.15 179.06 1u89 h LEU 829 N 0.45 0.11 -1.17 1.44 5.85 0.56 0.29 115.31 122.83 1u89 h LEU 829 Ca 0.04 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1u89 h LEU 829 Cb 0.89 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1u89 h LEU 829 CO 0.08 0.10 0.57 0.00 -0.34 0.00 0.00 178.44 178.84 1u89 h ALA 830 N 1.28 1.50 -0.02 1.25 0.00 -1.00 -0.48 119.26 121.80 1u89 h ALA 830 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1u89 h ALA 830 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u89 h ALA 830 CO -0.22 0.40 -0.06 1.96 0.00 0.00 0.00 179.25 181.33 1u89 h GLN 831 N 1.04 0.06 -0.45 0.00 7.50 -0.98 -2.53 115.11 119.75 1u89 h GLN 831 Ca 0.36 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.44 1u89 h GLN 831 Cb 0.11 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1u89 h GLN 831 CO -0.12 0.69 0.21 0.00 -1.50 0.00 0.00 178.83 178.10 1u89 h ALA 832 N 0.38 0.59 -0.25 3.87 0.00 -0.24 -1.48 119.26 122.12 1u89 h ALA 832 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 832 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u89 h ALA 832 CO 0.01 0.17 -0.17 1.15 0.00 0.00 0.00 179.25 180.41 1u89 h THR 833 N 0.59 1.24 -0.77 0.00 2.02 -1.19 -0.90 112.91 113.89 1u89 h THR 833 Ca 0.15 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 1u89 h THR 833 Cb 0.15 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1u89 h THR 833 CO -0.02 0.34 0.28 -1.28 0.37 0.00 0.00 175.52 175.22 1u89 h SER 834 N 0.40 1.08 -0.53 4.18 0.87 -0.96 0.52 113.55 119.10 1u89 h SER 834 Ca 0.07 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 1u89 h SER 834 Cb 0.53 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1u89 h SER 834 CO 0.03 0.97 0.03 -0.78 -0.53 0.00 0.00 176.83 176.55 1u89 h ASP 835 N 1.13 0.90 0.16 6.23 3.58 -0.72 0.18 116.42 127.88 1u89 h ASP 835 Ca 0.25 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1u89 h ASP 835 Cb 0.25 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1u89 h ASP 835 CO -0.02 0.97 -0.11 0.25 -2.88 0.00 0.00 179.24 177.46 1u89 h LEU 836 N 0.80 -0.27 -0.57 2.28 5.85 -0.70 0.23 115.31 122.94 1u89 h LEU 836 Ca 0.15 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1u89 h LEU 836 Cb 0.49 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1u89 h LEU 836 CO 0.02 -0.17 0.11 0.58 -0.34 0.00 0.00 178.44 178.64 1u89 h VAL 837 N -0.26 1.25 -0.44 1.05 2.07 -0.84 -1.19 116.25 117.89 1u89 h VAL 837 Ca -0.01 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1u89 h VAL 837 Cb 0.23 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1u89 h VAL 837 CO 0.01 0.35 0.24 -1.13 0.02 0.00 0.00 177.57 177.06 1u89 h ASN 838 N 0.84 0.55 -0.58 0.57 -1.24 -0.81 0.85 115.58 115.75 1u89 h ASN 838 Ca 0.18 -0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.12 1u89 h ASN 838 Cb 0.39 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 1u89 h ASN 838 CO 0.01 0.48 0.36 0.00 -1.29 0.00 0.00 177.43 176.98 1u89 h ALA 839 N 1.09 0.75 -0.05 1.57 0.00 -0.27 -1.33 119.26 121.02 1u89 h ALA 839 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u89 h ALA 839 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u89 h ALA 839 CO -0.02 0.09 0.02 0.82 0.00 0.00 0.00 179.25 180.15 1u89 h ILE 840 N 0.70 1.16 -0.94 0.00 2.04 -0.89 0.86 117.51 120.43 1u89 h ILE 840 Ca 0.23 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1u89 h ILE 840 Cb 0.02 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1u89 h ILE 840 CO -0.10 0.13 0.61 0.50 0.00 0.00 0.00 178.15 179.29 1u89 h LYS 841 N -0.10 1.00 0.00 2.37 3.64 -0.53 0.20 116.57 123.15 1u89 h LYS 841 Ca 0.02 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1u89 h LYS 841 Cb 0.20 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1u89 h LYS 841 CO -0.00 0.66 -0.00 0.00 -2.27 0.00 0.00 179.45 177.84 1u89 h ALA 842 N 1.51 -0.01 -0.68 5.00 0.00 -1.15 -3.27 119.26 120.66 1u89 h ALA 842 Ca 0.42 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 842 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 842 CO -0.18 -0.11 0.21 0.22 0.00 0.00 0.00 179.25 179.39 1u89 h ASP 843 N -0.79 0.98 0.56 0.00 3.58 -0.42 -2.12 116.42 118.22 1u89 h ASP 843 Ca -0.00 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 1u89 h ASP 843 Cb 0.77 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1u89 h ASP 843 CO 0.00 0.92 -0.09 0.00 -2.88 0.00 0.00 179.24 177.19 1u89 h ALA 844 N 1.21 1.13 0.00 -0.78 0.00 -0.75 -1.44 119.26 118.62 1u89 h ALA 844 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u89 h ALA 844 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u89 h ALA 844 CO -0.01 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.75 1u89 n GLU 845 N -3.38 0.01 -2.22 0.00 -0.58 -0.80 -2.90 120.64 110.77 1u89 n GLU 845 Ca -0.01 0.11 -0.04 0.00 -0.42 0.00 0.00 57.16 56.80 1u89 n GLU 845 Cb 0.26 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.68 1u89 n GLU 845 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u89 n GLY 846 N 0.82 2.92 3.92 0.62 0.00 -0.57 -5.10 105.19 107.79 1u89 n GLY 846 Ca 0.06 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1u89 n GLY 846 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u89 s GLU 847 N -3.00 2.10 -0.21 1.61 -6.30 -1.04 -5.04 118.70 106.83 1u89 s GLU 847 Ca 0.34 -0.13 0.03 0.00 -2.50 0.00 0.00 54.97 52.72 1u89 s GLU 847 Cb 0.36 -2.09 -0.15 0.00 0.00 0.00 0.00 34.13 32.25 1u89 s GLU 847 CO -0.05 -1.37 -0.16 0.43 0.02 0.00 0.00 175.26 174.13 1u89 n SER 848 N -3.06 2.14 -0.06 -1.70 7.64 -1.26 -4.55 113.62 112.76 1u89 n SER 848 Ca 0.08 -0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.71 1u89 n SER 848 Cb 0.61 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1u89 n SER 848 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1u89 h ASP 849 N 0.00 0.75 0.00 6.43 1.82 -1.89 -3.47 116.42 120.06 1u89 h ASP 849 Ca -0.48 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 55.60 1u89 h ASP 849 Cb 1.79 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1u89 h ASP 849 CO -0.06 1.17 0.00 0.18 -1.61 0.00 0.00 179.24 178.92 1u89 n LEU 850 N -4.19 0.00 -0.12 2.28 4.77 -1.26 -4.41 117.00 114.06 1u89 n LEU 850 Ca -0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1u89 n LEU 850 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1u89 n LEU 850 CO 0.47 0.00 0.84 -0.33 -1.33 0.00 0.00 177.39 177.03 1u89 h GLU 851 N 0.00 0.60 -0.62 3.23 4.39 -1.99 -1.91 114.58 118.28 1u89 h GLU 851 Ca 0.00 -0.16 0.10 0.00 0.34 0.00 0.00 59.36 59.64 1u89 h GLU 851 Cb 0.00 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 1u89 h GLU 851 CO 0.00 0.66 0.24 -0.97 -1.16 0.00 0.00 179.01 177.78 1u89 h ASN 852 N 0.44 0.25 -0.72 1.42 -1.24 -1.98 -2.48 115.58 111.27 1u89 h ASN 852 Ca 0.11 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1u89 h ASN 852 Cb 0.34 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1u89 h ASN 852 CO 0.01 0.15 0.37 0.28 -1.29 0.00 0.00 177.43 176.94 1u89 h SER 853 N 0.43 0.91 -0.41 1.15 0.02 -1.81 0.11 113.55 113.96 1u89 h SER 853 Ca 0.31 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1u89 h SER 853 Cb 0.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1u89 h SER 853 CO -0.31 0.77 0.26 0.03 -1.14 0.00 0.00 176.83 176.45 1u89 h ARG 854 N 0.99 0.55 0.03 3.45 3.08 -0.92 -1.01 114.38 120.55 1u89 h ARG 854 Ca 0.25 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 60.05 1u89 h ARG 854 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1u89 h ARG 854 CO -0.04 0.37 -0.96 0.87 -1.07 0.00 0.00 179.97 179.14 1u89 h LYS 855 N 0.56 0.20 -0.29 0.04 1.57 -0.98 -3.15 116.57 114.52 1u89 h LYS 855 Ca 0.15 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1u89 h LYS 855 Cb -0.05 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1u89 h LYS 855 CO -0.03 1.02 0.13 -0.07 -0.57 0.00 0.00 179.45 179.92 1u89 h LEU 856 N 0.10 0.18 -0.72 2.94 3.38 0.50 0.74 115.31 122.42 1u89 h LEU 856 Ca -0.06 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1u89 h LEU 856 Cb 1.62 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1u89 h LEU 856 CO 0.15 0.14 -0.29 -0.07 0.09 0.00 0.00 178.44 178.45 1u89 h LEU 857 N 0.28 0.68 -0.21 1.67 3.38 -1.49 0.29 115.31 119.91 1u89 h LEU 857 Ca 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1u89 h LEU 857 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1u89 h LEU 857 CO -0.10 0.93 0.10 0.28 0.09 0.00 0.00 178.44 179.74 1u89 h SER 858 N 0.56 0.27 -0.63 -0.43 0.02 -1.42 -0.28 113.55 111.64 1u89 h SER 858 Ca 0.07 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1u89 h SER 858 Cb 0.79 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1u89 h SER 858 CO 0.06 0.31 0.12 0.00 -1.14 0.00 0.00 176.83 176.18 1u89 h ALA 859 N 0.97 0.98 -0.15 3.77 0.00 -0.55 -2.29 119.26 121.99 1u89 h ALA 859 Ca 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 859 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u89 h ALA 859 CO -0.01 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 1u89 h ALA 860 N 1.13 1.52 -0.55 0.00 0.00 -0.23 -0.53 119.26 120.60 1u89 h ALA 860 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 860 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1u89 h ALA 860 CO 0.01 0.34 0.28 -0.22 0.00 0.00 0.00 179.25 179.66 1u89 h LYS 861 N 0.23 0.78 -0.35 0.00 1.63 -0.47 -0.99 116.57 117.40 1u89 h LYS 861 Ca 0.05 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 1u89 h LYS 861 Cb 0.35 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1u89 h LYS 861 CO 0.02 0.63 -0.19 0.82 -3.45 0.00 0.00 179.45 177.27 1u89 h ILE 862 N 0.74 1.26 0.24 2.00 2.04 -1.16 -1.66 117.51 120.97 1u89 h ILE 862 Ca 0.19 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1u89 h ILE 862 Cb 0.09 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1u89 h ILE 862 CO -0.03 0.41 -0.35 -0.07 0.00 0.00 0.00 178.15 178.11 1u89 h LEU 863 N 0.59 -0.98 -0.91 1.44 -0.00 -0.53 0.11 115.31 115.02 1u89 h LEU 863 Ca 0.09 0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1u89 h LEU 863 Cb 0.66 0.35 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1u89 h LEU 863 CO 0.05 -0.46 -0.14 0.00 -0.00 0.00 0.00 178.44 177.89 1u89 h ALA 864 N -0.12 1.08 -0.62 1.53 0.00 -1.13 -1.85 119.26 118.15 1u89 h ALA 864 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1u89 h ALA 864 Cb 0.63 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1u89 h ALA 864 CO -0.13 0.56 0.29 0.22 0.00 0.00 0.00 179.25 180.20 1u89 h ASP 865 N 0.59 0.82 -0.19 0.00 1.82 -1.09 -2.33 116.42 116.04 1u89 h ASP 865 Ca 0.10 -0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.55 1u89 h ASP 865 Cb 0.57 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1u89 h ASP 865 CO 0.04 0.72 -0.04 0.00 -1.61 0.00 0.00 179.24 178.35 1u89 h ALA 866 N 1.13 1.35 -0.48 -0.78 0.00 -0.57 -2.39 119.26 117.51 1u89 h ALA 866 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 866 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 866 CO -0.03 0.45 0.23 1.15 0.00 0.00 0.00 179.25 181.05 1u89 h THR 867 N 0.47 1.19 -0.54 0.00 2.02 -0.82 0.14 112.91 115.37 1u89 h THR 867 Ca 0.10 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1u89 h THR 867 Cb 0.37 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1u89 h THR 867 CO 0.02 0.21 0.07 0.00 0.37 0.00 0.00 175.52 176.19 1u89 h ALA 868 N 1.07 1.10 -0.44 6.16 0.00 -1.22 0.26 119.26 126.19 1u89 h ALA 868 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 868 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u89 h ALA 868 CO -0.02 0.58 0.11 0.87 0.00 0.00 0.00 179.25 180.79 1u89 h LYS 869 N 0.83 0.70 -0.06 0.00 1.57 -1.00 -0.02 116.57 118.59 1u89 h LYS 869 Ca 0.17 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1u89 h LYS 869 Cb 0.39 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u89 h LYS 869 CO 0.01 0.70 -0.00 1.98 -0.57 0.00 0.00 179.45 181.57 1u89 h MET 870 N 0.58 0.10 -0.51 3.15 4.05 -0.31 -0.87 114.93 121.13 1u89 h MET 870 Ca 0.14 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1u89 h MET 870 Cb 0.31 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1u89 h MET 870 CO 0.00 0.38 0.19 -0.24 0.23 0.00 0.00 176.91 177.47 1u89 h VAL 871 N -0.19 1.19 -0.51 -5.77 3.04 -0.48 0.16 116.25 113.69 1u89 h VAL 871 Ca 0.02 -0.62 -0.12 0.00 -1.01 0.00 0.00 66.70 64.96 1u89 h VAL 871 Cb 0.34 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 1u89 h VAL 871 CO 0.00 0.24 -0.15 -0.08 -1.01 0.00 0.00 177.57 176.58 1u89 h GLU 872 N 0.73 1.00 -0.16 4.17 4.81 -0.88 -1.77 114.58 122.48 1u89 h GLU 872 Ca 0.17 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 1u89 h GLU 872 Cb 0.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1u89 h GLU 872 CO -0.01 1.08 -0.23 0.00 -0.73 0.00 0.00 179.01 179.11 1u89 h ALA 873 N 0.90 0.24 -0.49 2.92 0.00 -0.47 -1.70 119.26 120.65 1u89 h ALA 873 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 873 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1u89 h ALA 873 CO 0.06 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.80 1u89 h ALA 874 N 0.58 0.62 0.00 0.00 0.00 -0.69 0.85 119.26 120.62 1u89 h ALA 874 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 874 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1u89 h ALA 874 CO 0.05 0.12 -0.32 0.87 0.00 0.00 0.00 179.25 179.97 1u89 h LYS 875 N 0.65 0.00 0.00 0.00 1.57 -1.35 -2.69 116.57 114.75 1u89 h LYS 875 Ca 0.17 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1u89 h LYS 875 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1u89 h LYS 875 CO -0.03 0.32 -0.51 0.78 -0.57 0.00 0.00 179.45 179.44 1u89 h GLY 876 N 1.49 0.00 2.00 3.86 0.00 -0.53 -3.17 103.07 106.71 1u89 h GLY 876 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1u89 h GLY 876 CO 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.45 1u89 h ALA 877 N 1.59 0.98 -0.68 3.60 0.00 -0.52 -3.37 119.26 120.85 1u89 h ALA 877 Ca -0.02 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 1u89 h ALA 877 Cb 1.33 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1u89 h ALA 877 CO 0.05 0.17 1.79 0.00 0.00 0.00 0.00 179.25 181.26 1u89 n ALA 878 N -2.16 2.92 -0.24 0.00 0.00 -1.17 -4.76 120.51 115.10 1u89 n ALA 878 Ca 0.01 -3.53 0.08 0.00 0.00 0.00 0.00 53.44 50.01 1u89 n ALA 878 Cb 0.44 -3.56 0.34 0.00 0.00 0.00 0.00 19.45 16.67 1u89 n ALA 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 h ALA 879 N 8.35 1.72 -2.47 0.00 0.00 -1.84 -3.34 119.26 121.68 1u89 h ALA 879 Ca 0.36 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 879 Cb 0.89 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.33 1u89 h ALA 879 CO 1.38 0.12 -0.19 -1.01 0.00 0.00 0.00 179.25 179.55 1u89 s HIS 880 N -5.72 3.18 -0.84 0.00 0.09 -1.26 -4.34 115.29 106.40 1u89 s HIS 880 Ca -0.10 -0.11 -0.16 0.00 -0.00 0.00 0.00 55.06 54.69 1u89 s HIS 880 Cb 0.20 -2.84 -0.11 0.00 -0.00 0.00 0.00 32.58 29.84 1u89 s HIS 880 CO 0.78 -0.57 1.99 -0.35 -0.00 0.00 0.00 174.74 176.59 1u89 n PRO 881 N 5.58 1.73 0.00 8.40 -0.04 -1.26 -4.25 135.00 145.16 1u89 n PRO 881 Ca -0.07 -1.72 0.07 0.00 -0.04 0.00 0.00 63.50 61.73 1u89 n PRO 881 Cb 0.48 -2.76 0.03 0.00 -0.04 0.00 0.00 33.50 31.22 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u89 n ASP 882 N 6.27 1.80 -2.07 3.54 2.03 -1.26 -4.61 116.55 122.25 1u89 n ASP 882 Ca 0.47 -1.40 -0.15 0.00 0.52 0.00 0.00 54.79 54.24 1u89 n ASP 882 Cb 0.30 0.21 -0.12 0.00 -0.72 0.00 0.00 41.12 40.79 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u89 n SER 883 N 0.34 5.59 -4.84 1.67 3.41 -1.26 -4.85 113.62 113.67 1u89 n SER 883 Ca 0.07 -2.67 -0.28 0.00 -0.26 0.00 0.00 58.87 55.73 1u89 n SER 883 Cb 0.31 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 62.87 1u89 n SER 883 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u89 s GLU 884 N 0.17 3.08 0.43 4.33 0.41 -1.26 -4.99 118.70 120.86 1u89 s GLU 884 Ca 0.58 -0.69 0.25 0.00 -0.41 0.00 0.00 54.97 54.69 1u89 s GLU 884 Cb 0.30 -2.79 0.57 0.00 -1.78 0.00 0.00 34.13 30.42 1u89 s GLU 884 CO -0.05 0.54 1.69 0.93 -0.49 0.00 0.00 175.26 177.87 1u89 h GLU 885 N 2.76 0.00 0.00 1.61 3.07 -2.00 -2.67 114.58 117.36 1u89 h GLU 885 Ca -0.47 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.34 1u89 h GLU 885 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1u89 h GLU 885 CO 0.67 0.00 -0.24 1.96 -1.40 0.00 0.00 179.01 180.00 1u89 h GLN 886 N 0.00 0.00 -5.83 2.33 7.50 -1.96 -3.38 115.11 113.76 1u89 h GLN 886 Ca 0.00 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.54 1u89 h GLN 886 Cb 0.88 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.30 1u89 h GLN 886 CO 0.00 0.24 0.41 -0.65 -1.50 0.00 0.00 178.83 177.33 1u89 s GLN 887 N -4.19 3.73 -0.64 1.46 -1.52 -1.01 -4.94 119.66 112.56 1u89 s GLN 887 Ca -0.03 0.31 -0.01 0.00 -1.95 0.00 0.00 55.36 53.69 1u89 s GLN 887 Cb 0.14 -3.82 0.44 0.00 -0.22 0.00 0.00 33.01 29.55 1u89 s GLN 887 CO 0.66 -0.89 1.94 1.04 -0.25 0.00 0.00 175.29 177.79 1u89 n GLN 888 N 6.50 2.80 0.00 2.91 6.02 -1.26 -4.79 117.38 129.57 1u89 n GLN 888 Ca 0.04 -3.42 0.00 0.00 -0.01 0.00 0.00 57.00 53.61 1u89 n GLN 888 Cb 0.48 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1u89 n GLN 888 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92