#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 -2.73 1.61 3.41 -1.26 -4.91 113.62 109.74 1u89 n SER 752 Ca 0.00 0.34 -0.08 0.00 -0.26 0.00 0.00 58.87 58.87 1u89 n SER 752 Cb 0.00 -0.35 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.59 -2.70 -3.23 7.33 -0.00 -1.26 -5.10 115.22 108.66 1u89 n HIS 753 Ca 0.00 -1.93 -0.01 0.00 -0.00 0.00 0.00 57.72 55.78 1u89 n HIS 753 Cb 0.00 1.58 -0.04 0.00 -0.00 0.00 0.00 29.99 31.53 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 0.31 0.49 -1.05 1.57 -2.45 -1.26 -5.00 119.30 111.91 1u89 s MET 754 Ca 0.23 0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 55.47 1u89 s MET 754 Cb 0.28 0.18 -0.05 0.00 1.25 0.00 0.00 34.83 36.49 1u89 s MET 754 CO -0.09 -0.62 0.91 1.04 1.05 0.00 0.00 175.02 177.31 1u89 n GLN 755 N 5.41 -3.34 -2.70 4.11 6.02 -1.26 -4.92 117.38 120.69 1u89 n GLN 755 Ca -0.02 0.83 -0.43 0.00 -0.01 0.00 0.00 57.00 57.37 1u89 n GLN 755 Cb 0.51 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.07 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u89 n ALA 756 N -3.40 4.93 -1.92 -1.58 0.00 -1.26 -5.01 120.51 112.27 1u89 n ALA 756 Ca -0.13 -4.45 -0.27 0.00 0.00 0.00 0.00 53.44 48.59 1u89 n ALA 756 Cb 0.63 -2.80 0.08 0.00 0.00 0.00 0.00 19.45 17.36 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 757 N -0.30 3.00 -1.38 0.00 0.00 -1.26 -4.94 121.76 116.88 1u89 s ALA 757 Ca 0.37 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1u89 s ALA 757 Cb 0.04 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1u89 s ALA 757 CO 0.02 -1.42 2.20 0.25 0.00 0.00 0.00 175.76 176.81 1u89 n THR 758 N -3.04 3.27 -1.61 0.00 -2.24 -1.26 -4.83 114.28 104.57 1u89 n THR 758 Ca 0.08 -2.84 -0.40 0.00 -2.27 0.00 0.00 64.05 58.62 1u89 n THR 758 Cb 0.61 -2.58 -0.02 0.00 -2.10 0.00 0.00 70.33 66.24 1u89 n THR 758 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u89 n GLU 759 N 6.18 4.01 -4.77 -0.78 1.02 -1.26 -4.85 120.64 120.19 1u89 n GLU 759 Ca 0.52 -2.73 -0.31 0.00 -0.02 0.00 0.00 57.16 54.62 1u89 n GLU 759 Cb 0.39 -2.76 -0.17 0.00 -0.02 0.00 0.00 31.44 28.88 1u89 n GLU 759 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u89 s ASP 760 N 1.50 2.89 0.00 1.62 -1.08 -1.26 -5.10 116.67 115.24 1u89 s ASP 760 Ca 0.62 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1u89 s ASP 760 Cb 0.18 -1.32 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 1u89 s ASP 760 CO -0.07 0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.31 1u89 n GLY 761 N 3.94 2.18 2.40 2.66 0.00 -1.26 -4.95 105.19 110.16 1u89 n GLY 761 Ca -0.20 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.99 2.32 0.18 1.61 -0.06 -1.26 -4.69 117.38 114.49 1u89 n GLN 762 Ca 0.00 -2.13 -0.07 0.00 -2.00 0.00 0.00 57.00 52.79 1u89 n GLN 762 Cb 0.00 -2.10 -0.04 0.00 -4.06 0.00 0.00 30.24 24.05 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1u89 h LEU 763 N 3.99 -0.41 0.00 1.69 -0.00 -1.93 -1.78 115.31 116.87 1u89 h LEU 763 Ca 0.36 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 763 Cb 0.83 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1u89 h LEU 763 CO 0.79 -0.22 -0.52 -0.07 -0.00 0.00 0.00 178.44 178.42 1u89 h LEU 764 N -0.63 0.00 0.04 1.67 3.38 -1.96 -2.31 115.31 115.51 1u89 h LEU 764 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1u89 h LEU 764 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u89 h LEU 764 CO 0.08 0.27 -0.02 0.03 0.09 0.00 0.00 178.44 178.89 1u89 h ARG 765 N 0.00 -0.05 0.00 1.13 -0.00 -1.89 -2.96 114.38 110.61 1u89 h ARG 765 Ca -0.02 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.40 1u89 h ARG 765 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.20 1u89 h ARG 765 CO 0.03 0.49 -0.58 0.78 0.00 0.00 0.00 179.97 180.68 1u89 h GLY 766 N -0.63 0.00 1.03 0.04 0.00 -1.43 -3.31 103.07 98.77 1u89 h GLY 766 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1u89 h GLY 766 CO 0.01 0.00 0.21 -2.08 0.00 0.00 0.00 176.54 174.67 1u89 h VAL 767 N -1.00 1.25 -0.29 4.60 2.07 -1.45 -1.42 116.25 120.01 1u89 h VAL 767 Ca -0.08 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1u89 h VAL 767 Cb 0.65 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1u89 h VAL 767 CO -0.05 0.33 0.16 1.23 0.02 0.00 0.00 177.57 179.26 1u89 h GLY 768 N 0.96 0.39 1.18 2.17 0.00 -1.43 0.33 103.07 106.67 1u89 h GLY 768 Ca 0.21 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 1u89 h GLY 768 CO -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 176.54 176.55 1u89 h ALA 769 N 1.14 0.85 -0.08 3.60 0.00 -1.60 -1.66 119.26 121.50 1u89 h ALA 769 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1u89 h ALA 769 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1u89 h ALA 769 CO -0.06 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 1u89 h ALA 770 N 1.02 0.12 -0.74 0.00 0.00 -0.95 -2.58 119.26 116.14 1u89 h ALA 770 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 770 Cb 0.62 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1u89 h ALA 770 CO 0.04 -0.06 0.48 0.00 0.00 0.00 0.00 179.25 179.71 1u89 h ALA 771 N 0.58 0.95 -1.00 0.00 0.00 -0.33 -1.87 119.26 117.59 1u89 h ALA 771 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 771 Cb 0.58 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 771 CO 0.02 0.32 0.66 1.15 0.00 0.00 0.00 179.25 181.40 1u89 h THR 772 N 0.97 1.22 -0.24 0.00 2.02 -1.31 -1.63 112.91 113.94 1u89 h THR 772 Ca 0.28 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1u89 h THR 772 Cb -0.07 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.12 1u89 h THR 772 CO -0.07 0.24 0.11 0.00 0.37 0.00 0.00 175.52 176.17 1u89 h ALA 773 N 1.38 0.32 -0.27 6.16 0.00 -0.94 -1.76 119.26 124.16 1u89 h ALA 773 Ca 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1u89 h ALA 773 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1u89 h ALA 773 CO -0.10 -0.12 0.16 0.28 0.00 0.00 0.00 179.25 179.47 1u89 h VAL 774 N 0.26 1.11 -0.69 0.00 2.07 -1.09 0.23 116.25 118.13 1u89 h VAL 774 Ca 0.08 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1u89 h VAL 774 Cb 0.13 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1u89 h VAL 774 CO -0.01 0.10 0.40 0.74 0.02 0.00 0.00 177.57 178.82 1u89 h THR 775 N 0.33 0.98 0.00 2.57 2.02 -1.17 0.16 112.91 117.80 1u89 h THR 775 Ca 0.10 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 1u89 h THR 775 Cb 0.03 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1u89 h THR 775 CO -0.02 0.13 -0.66 1.56 0.37 0.00 0.00 175.52 176.90 1u89 h GLN 776 N 0.73 0.00 -0.34 6.66 7.50 -1.02 -0.25 115.11 128.40 1u89 h GLN 776 Ca 0.31 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.36 1u89 h GLN 776 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1u89 h GLN 776 CO -0.18 0.66 -0.19 0.00 -1.50 0.00 0.00 178.83 177.63 1u89 h ALA 777 N 1.34 0.48 -0.44 3.87 0.00 0.07 0.65 119.26 125.23 1u89 h ALA 777 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1u89 h ALA 777 Cb 1.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1u89 h ALA 777 CO 0.09 0.42 0.15 1.25 0.00 0.00 0.00 179.25 181.15 1u89 h LEU 778 N 0.51 0.63 -0.54 0.00 5.85 -0.61 -1.28 115.31 119.87 1u89 h LEU 778 Ca 0.07 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1u89 h LEU 778 Cb 0.73 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1u89 h LEU 778 CO 0.05 0.66 0.30 0.78 -0.34 0.00 0.00 178.44 179.90 1u89 h ASN 779 N 0.57 0.46 -0.46 1.25 2.35 -0.95 0.46 115.58 119.26 1u89 h ASN 779 Ca 0.14 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1u89 h ASN 779 Cb 0.25 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1u89 h ASN 779 CO -0.01 0.31 0.27 -0.08 -1.65 0.00 0.00 177.43 176.28 1u89 h GLU 780 N 0.58 0.52 -0.04 0.81 4.81 -0.59 0.13 114.58 120.80 1u89 h GLU 780 Ca 0.23 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1u89 h GLU 780 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1u89 h GLU 780 CO -0.13 0.34 0.02 1.25 -0.73 0.00 0.00 179.01 179.76 1u89 h LEU 781 N 0.54 0.05 -0.46 1.64 5.85 -0.78 0.07 115.31 122.22 1u89 h LEU 781 Ca 0.18 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1u89 h LEU 781 Cb 0.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1u89 h LEU 781 CO -0.09 0.16 0.23 -0.07 -0.34 0.00 0.00 178.44 178.33 1u89 h LEU 782 N -0.06 0.32 -0.41 2.25 3.38 -0.58 0.33 115.31 120.55 1u89 h LEU 782 Ca 0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1u89 h LEU 782 Cb 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1u89 h LEU 782 CO -0.00 0.23 0.23 1.56 0.09 0.00 0.00 178.44 180.55 1u89 h GLN 783 N 0.45 0.46 -0.28 1.13 7.50 -0.60 0.05 115.11 123.82 1u89 h GLN 783 Ca 0.20 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 59.26 1u89 h GLN 783 Cb 0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1u89 h GLN 783 CO -0.14 0.30 -0.05 1.25 -1.50 0.00 0.00 178.83 178.70 1u89 h HIS 784 N 0.47 0.59 -0.27 2.96 -0.00 -0.27 -3.10 115.15 115.54 1u89 h HIS 784 Ca 0.16 -0.12 -0.09 0.00 -0.00 0.00 0.00 60.37 60.33 1u89 h HIS 784 Cb 0.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1u89 h HIS 784 CO -0.08 0.71 -0.18 0.28 -0.00 0.00 0.00 177.93 178.67 1u89 h VAL 785 N 0.30 1.30 -0.79 5.26 2.07 -0.24 -2.99 116.25 121.16 1u89 h VAL 785 Ca 0.07 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.39 1u89 h VAL 785 Cb 0.51 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1u89 h VAL 785 CO 0.02 0.41 0.51 0.50 0.02 0.00 0.00 177.57 179.04 1u89 h LYS 786 N 0.33 0.73 -0.53 1.57 1.63 -1.01 -0.79 116.57 118.50 1u89 h LYS 786 Ca 0.05 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.70 1u89 h LYS 786 Cb 0.71 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.11 1u89 h LYS 786 CO 0.05 0.48 0.11 0.00 -3.45 0.00 0.00 179.45 176.64 1u89 n ALA 787 N -2.44 3.98 -0.18 5.00 0.00 -1.17 -4.43 120.51 121.26 1u89 n ALA 787 Ca 0.13 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1u89 n ALA 787 Cb 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.26 0.00 -1.73 0.00 8.25 -0.63 -5.05 115.22 115.80 1u89 n HIS 788 Ca 0.32 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.40 1u89 n HIS 788 Cb 1.18 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.33 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 0.00 1.40 -3.17 -1.41 0.00 -0.40 -4.96 120.51 111.98 1u89 n ALA 789 Ca 0.00 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1u89 n ALA 789 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 1u89 n ALA 789 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u89 s THR 790 N -1.31 4.02 0.00 0.00 2.01 -1.08 -4.97 115.64 114.31 1u89 s THR 790 Ca 0.72 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1u89 s THR 790 Cb -0.42 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1u89 s THR 790 CO 0.49 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1u89 n GLY 791 N 4.73 0.97 0.40 4.40 0.00 -1.26 -3.55 105.19 110.87 1u89 n GLY 791 Ca -0.17 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 5.53 2.51 -1.00 4.61 0.00 -1.26 -4.58 120.51 126.32 1u89 n ALA 792 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1u89 n ALA 792 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.61 1.17 2.71 0.00 0.00 -1.25 -4.32 105.19 104.11 1u89 n GLY 793 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u89 n PRO 794 N -0.11 2.34 -0.55 1.61 -0.04 -1.23 -4.31 135.00 132.70 1u89 n PRO 794 Ca 0.00 -1.88 0.06 0.00 -0.04 0.00 0.00 63.50 61.65 1u89 n PRO 794 Cb 0.00 -2.77 0.13 0.00 -0.04 0.00 0.00 33.50 30.82 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u89 n ALA 795 N 5.29 2.82 -1.98 0.55 0.00 -1.26 -2.64 120.51 123.29 1u89 n ALA 795 Ca 0.53 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.88 1u89 n ALA 795 Cb 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1u89 n ALA 795 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u89 s GLY 796 N -2.67 1.44 0.00 0.00 0.00 -1.26 -4.86 107.32 99.97 1u89 s GLY 796 Ca 0.31 0.89 0.28 0.00 0.00 0.00 0.00 44.72 46.19 1u89 s GLY 796 CO -0.04 3.10 1.70 0.54 0.00 0.00 0.00 173.10 178.39 1u89 n ARG 797 N 7.32 1.17 -3.87 2.90 3.00 -1.26 -4.94 116.66 120.99 1u89 n ARG 797 Ca 0.18 -0.65 -0.27 0.00 -0.01 0.00 0.00 57.85 57.11 1u89 n ARG 797 Cb 0.43 -1.49 0.02 0.00 0.00 0.00 0.00 32.46 31.42 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1u89 n TYR 798 N -0.35 -2.05 -0.07 -1.55 4.01 -1.26 -4.87 117.16 111.02 1u89 n TYR 798 Ca 0.16 0.86 -0.10 0.00 -0.16 0.00 0.00 57.90 58.65 1u89 n TYR 798 Cb 0.34 -4.03 -0.03 0.00 -0.31 0.00 0.00 39.34 35.30 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 -1.94 0.34 -0.45 7.72 3.58 -1.98 -0.49 116.42 123.19 1u89 h ASP 799 Ca -0.60 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 56.66 1u89 h ASP 799 Cb 1.37 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 1u89 h ASP 799 CO 0.64 0.41 0.19 -0.61 -2.88 0.00 0.00 179.24 176.99 1u89 h GLN 800 N 0.25 0.67 0.02 0.28 -0.00 -1.98 0.26 115.11 114.61 1u89 h GLN 800 Ca 0.08 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1u89 h GLN 800 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.55 1u89 h GLN 800 CO -0.01 0.60 -0.01 0.00 0.00 0.00 0.00 178.83 179.42 1u89 h ALA 801 N 1.03 -0.02 -0.66 3.38 0.00 -1.89 -0.52 119.26 120.58 1u89 h ALA 801 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1u89 h ALA 801 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1u89 h ALA 801 CO -0.01 -0.45 0.18 1.79 0.00 0.00 0.00 179.25 180.76 1u89 h THR 802 N -0.15 1.25 -0.27 0.00 1.35 -0.95 -1.78 112.91 112.36 1u89 h THR 802 Ca -0.00 -0.89 0.03 0.00 -0.55 0.00 0.00 66.41 65.00 1u89 h THR 802 Cb 0.14 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 1u89 h THR 802 CO 0.00 0.34 0.10 -0.78 -0.25 0.00 0.00 175.52 174.93 1u89 h ASP 803 N 0.99 0.12 -0.45 5.36 3.58 -0.29 -0.12 116.42 125.61 1u89 h ASP 803 Ca 0.21 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.70 1u89 h ASP 803 Cb 0.31 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1u89 h ASP 803 CO -0.00 0.10 0.27 0.74 -2.88 0.00 0.00 179.24 177.47 1u89 h THR 804 N 0.22 1.06 0.28 2.25 2.02 -0.64 0.11 112.91 118.21 1u89 h THR 804 Ca 0.12 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1u89 h THR 804 Cb 0.08 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1u89 h THR 804 CO -0.11 0.10 -0.14 0.40 0.37 0.00 0.00 175.52 176.14 1u89 h ILE 805 N 0.55 0.73 0.07 3.11 2.04 -1.05 0.31 117.51 123.28 1u89 h ILE 805 Ca 0.17 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1u89 h ILE 805 Cb -0.01 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1u89 h ILE 805 CO -0.07 0.01 -0.17 -0.07 0.00 0.00 0.00 178.15 177.85 1u89 h LEU 806 N -0.41 -0.48 -0.68 1.44 3.38 -0.78 0.25 115.31 118.03 1u89 h LEU 806 Ca -0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1u89 h LEU 806 Cb 0.31 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1u89 h LEU 806 CO 0.06 -0.24 0.41 0.74 0.09 0.00 0.00 178.44 179.50 1u89 h THR 807 N -0.32 1.05 0.02 0.22 2.02 -0.73 0.53 112.91 115.69 1u89 h THR 807 Ca 0.03 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1u89 h THR 807 Cb 0.35 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1u89 h THR 807 CO -0.11 0.14 -0.01 0.58 0.37 0.00 0.00 175.52 176.49 1u89 h VAL 808 N 0.78 1.18 -0.56 3.16 2.07 -0.51 0.12 116.25 122.50 1u89 h VAL 808 Ca 0.28 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1u89 h VAL 808 Cb 0.08 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1u89 h VAL 808 CO -0.13 0.16 -0.04 0.74 0.02 0.00 0.00 177.57 178.32 1u89 h THR 809 N -0.30 1.26 0.00 2.57 2.02 -0.22 -1.45 112.91 116.79 1u89 h THR 809 Ca -0.00 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 1u89 h THR 809 Cb 0.29 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1u89 h THR 809 CO 0.00 0.42 -0.35 -0.08 0.37 0.00 0.00 175.52 175.89 1u89 h GLU 810 N 0.90 0.00 -0.17 6.66 4.22 0.10 -1.92 114.58 124.37 1u89 h GLU 810 Ca 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.49 1u89 h GLU 810 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1u89 h GLU 810 CO 0.04 0.35 -0.36 -0.91 -2.18 0.00 0.00 179.01 175.95 1u89 h ASN 811 N 0.00 0.37 0.08 1.04 2.35 0.02 -2.89 115.58 116.55 1u89 h ASN 811 Ca -0.00 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1u89 h ASN 811 Cb 0.62 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1u89 h ASN 811 CO 0.05 0.70 -0.23 0.40 -1.65 0.00 0.00 177.43 176.70 1u89 h ILE 812 N 0.30 1.23 0.00 2.81 2.04 -0.48 0.27 117.51 123.69 1u89 h ILE 812 Ca 0.03 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1u89 h ILE 812 Cb 0.77 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1u89 h ILE 812 CO 0.06 0.33 -0.28 -0.26 0.00 0.00 0.00 178.15 178.00 1u89 h PHE 813 N 0.24 0.00 0.11 1.37 0.04 -1.31 -0.78 116.94 116.61 1u89 h PHE 813 Ca 0.04 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.48 1u89 h PHE 813 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1u89 h PHE 813 CO 0.01 0.28 -1.77 0.66 -0.60 0.00 0.00 178.31 176.89 1u89 h SER 814 N 0.00 0.36 0.53 2.17 4.64 -1.34 -3.34 113.55 116.57 1u89 h SER 814 Ca -0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1u89 h SER 814 Cb 0.52 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1u89 h SER 814 CO 0.04 1.57 0.00 -1.54 -0.87 0.00 0.00 176.83 176.02 1u89 n SER 815 N -3.41 0.00 -4.49 4.97 3.41 0.89 -4.82 113.62 110.17 1u89 n SER 815 Ca -0.24 -0.07 -0.52 0.00 -0.26 0.00 0.00 58.87 57.78 1u89 n SER 815 Cb 1.05 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.63 1u89 n SER 815 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u89 n MET 816 N -1.29 1.10 0.00 4.33 2.00 -0.32 -0.21 117.12 122.73 1u89 n MET 816 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1u89 n MET 816 Cb 0.22 -2.36 0.00 0.00 0.00 0.00 0.00 33.22 31.09 1u89 n MET 816 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1u89 n GLY 817 N 6.07 2.26 3.24 3.03 0.00 -1.26 -5.04 105.19 113.50 1u89 n GLY 817 Ca 0.38 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.31 6.03 0.30 1.61 2.15 0.71 -4.94 116.67 122.22 1u89 s ASP 818 Ca 0.00 -2.31 0.01 0.00 0.43 0.00 0.00 52.55 50.68 1u89 s ASP 818 Cb 0.00 -2.08 0.55 0.00 -0.30 0.00 0.00 42.92 41.09 1u89 s ASP 818 CO 0.00 -0.62 1.91 0.00 -0.17 0.00 0.00 175.17 176.28 1u89 h ALA 819 N 8.05 1.53 -0.07 3.66 0.00 -1.94 -1.48 119.26 129.00 1u89 h ALA 819 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 819 Cb 1.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u89 h ALA 819 CO 0.83 0.33 -0.04 0.78 0.00 0.00 0.00 179.25 181.14 1u89 h GLY 820 N 1.01 0.02 1.47 0.00 0.00 -1.94 0.14 103.07 103.78 1u89 h GLY 820 Ca 0.39 0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.66 1u89 h GLY 820 CO -0.15 -0.06 -0.35 -2.09 0.00 0.00 0.00 176.54 173.90 1u89 h GLU 821 N -0.04 0.59 -0.40 4.80 4.57 -1.83 -0.63 114.58 121.64 1u89 h GLU 821 Ca 0.05 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1u89 h GLU 821 Cb 0.11 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1u89 h GLU 821 CO -0.10 0.85 0.23 0.52 -1.18 0.00 0.00 179.01 179.33 1u89 h MET 822 N 0.50 0.55 -0.70 1.92 2.86 -0.88 0.35 114.93 119.53 1u89 h MET 822 Ca 0.05 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1u89 h MET 822 Cb 0.83 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1u89 h MET 822 CO 0.07 0.42 0.19 0.28 1.06 0.00 0.00 176.91 178.93 1u89 h VAL 823 N 0.52 1.26 0.11 -2.22 2.07 -0.56 0.87 116.25 118.30 1u89 h VAL 823 Ca 0.14 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1u89 h VAL 823 Cb 0.03 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1u89 h VAL 823 CO -0.03 0.36 -0.35 -0.09 0.02 0.00 0.00 177.57 177.49 1u89 h ARG 824 N 1.04 -0.55 -0.70 1.57 9.65 -0.54 0.11 114.38 124.96 1u89 h ARG 824 Ca 0.22 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.09 1u89 h ARG 824 Cb 0.35 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 1u89 h ARG 824 CO -0.00 -0.37 0.26 1.96 2.80 0.00 0.00 179.97 184.62 1u89 h GLN 825 N -0.57 1.06 -0.80 0.20 1.08 -0.80 -2.29 115.11 112.98 1u89 h GLN 825 Ca 0.03 -0.20 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1u89 h GLN 825 Cb 0.61 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 1u89 h GLN 825 CO -0.21 0.88 0.53 0.00 -0.95 0.00 0.00 178.83 179.08 1u89 h ALA 826 N 1.12 1.62 -0.49 3.87 0.00 -0.42 0.41 119.26 125.38 1u89 h ALA 826 Ca 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1u89 h ALA 826 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u89 h ALA 826 CO -0.02 0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.60 1u89 h ARG 827 N 0.87 0.78 -0.19 0.00 3.08 -0.27 -1.73 114.38 116.93 1u89 h ARG 827 Ca 0.35 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1u89 h ARG 827 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1u89 h ARG 827 CO -0.12 0.77 -0.34 0.82 -1.07 0.00 0.00 179.97 180.03 1u89 h ILE 828 N 0.67 1.29 -0.23 2.04 2.04 -0.70 -2.40 117.51 120.21 1u89 h ILE 828 Ca 0.15 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.63 1u89 h ILE 828 Cb 0.34 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1u89 h ILE 828 CO 0.00 0.43 0.05 0.25 0.00 0.00 0.00 178.15 178.89 1u89 h LEU 829 N 0.34 0.03 -0.93 1.44 5.85 0.11 0.30 115.31 122.45 1u89 h LEU 829 Ca 0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1u89 h LEU 829 Cb 0.76 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1u89 h LEU 829 CO 0.06 0.05 0.60 0.00 -0.34 0.00 0.00 178.44 178.80 1u89 h ALA 830 N 1.16 1.24 -0.44 1.25 0.00 -1.11 -0.19 119.26 121.18 1u89 h ALA 830 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 830 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1u89 h ALA 830 CO -0.13 0.44 0.03 0.37 0.00 0.00 0.00 179.25 179.96 1u89 h GLN 831 N 1.14 0.75 -0.13 0.00 5.75 -0.86 -2.08 115.11 119.68 1u89 h GLN 831 Ca 0.38 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1u89 h GLN 831 Cb 0.04 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1u89 h GLN 831 CO -0.13 0.80 -0.02 0.00 -2.65 0.00 0.00 178.83 176.83 1u89 h ALA 832 N 0.92 0.18 -0.41 3.38 0.00 0.16 -2.67 119.26 120.81 1u89 h ALA 832 Ca 0.13 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 832 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u89 h ALA 832 CO 0.02 -0.09 -0.02 1.15 0.00 0.00 0.00 179.25 180.30 1u89 h THR 833 N -0.05 1.23 0.00 0.00 2.02 -1.07 0.14 112.91 115.17 1u89 h THR 833 Ca 0.03 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1u89 h THR 833 Cb 0.42 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1u89 h THR 833 CO 0.01 0.33 -0.15 0.28 0.37 0.00 0.00 175.52 176.36 1u89 h SER 834 N 0.63 0.00 0.10 4.18 0.02 -1.30 0.14 113.55 117.32 1u89 h SER 834 Ca 0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1u89 h SER 834 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 1u89 h SER 834 CO 0.02 0.15 -0.59 -0.78 -1.14 0.00 0.00 176.83 174.49 1u89 h ASP 835 N 0.00 0.34 0.10 3.07 3.58 -0.94 -3.06 116.42 119.51 1u89 h ASP 835 Ca -0.00 -0.97 0.00 0.00 0.42 0.00 0.00 57.03 56.49 1u89 h ASP 835 Cb 0.31 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1u89 h ASP 835 CO 0.02 1.28 -0.10 0.25 -2.88 0.00 0.00 179.24 177.81 1u89 h LEU 836 N -0.55 -0.27 -0.78 2.28 5.85 -0.30 0.17 115.31 121.71 1u89 h LEU 836 Ca -0.10 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1u89 h LEU 836 Cb 1.46 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1u89 h LEU 836 CO 0.11 -0.16 0.34 0.58 -0.34 0.00 0.00 178.44 178.97 1u89 h VAL 837 N -0.23 1.25 -0.41 1.05 2.07 -0.90 -1.53 116.25 117.55 1u89 h VAL 837 Ca 0.00 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1u89 h VAL 837 Cb 0.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1u89 h VAL 837 CO -0.03 0.31 -0.20 -1.13 0.02 0.00 0.00 177.57 176.54 1u89 h ASN 838 N 1.11 0.82 0.08 0.57 -1.24 -1.39 0.69 115.58 116.21 1u89 h ASN 838 Ca 0.26 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.99 1u89 h ASN 838 Cb 0.17 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1u89 h ASN 838 CO -0.03 1.00 -0.12 0.00 -1.29 0.00 0.00 177.43 177.00 1u89 h ALA 839 N 1.06 -0.20 -0.71 1.57 0.00 -0.15 -0.02 119.26 120.82 1u89 h ALA 839 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1u89 h ALA 839 Cb 0.72 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1u89 h ALA 839 CO 0.06 -0.63 0.19 0.82 0.00 0.00 0.00 179.25 179.68 1u89 h ILE 840 N -0.24 1.26 -0.22 0.00 2.04 -1.17 0.56 117.51 119.74 1u89 h ILE 840 Ca 0.02 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1u89 h ILE 840 Cb 0.25 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1u89 h ILE 840 CO -0.06 0.36 0.01 0.50 0.00 0.00 0.00 178.15 178.97 1u89 h LYS 841 N 1.07 0.09 -0.24 2.37 3.64 -0.50 0.35 116.57 123.34 1u89 h LYS 841 Ca 0.23 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 1u89 h LYS 841 Cb 0.34 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1u89 h LYS 841 CO -0.00 0.06 -0.55 0.00 -2.27 0.00 0.00 179.45 176.69 1u89 h ALA 842 N 1.18 0.59 -0.48 5.00 0.00 -0.80 -2.64 119.26 122.11 1u89 h ALA 842 Ca 0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1u89 h ALA 842 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u89 h ALA 842 CO -0.16 0.69 -0.16 0.22 0.00 0.00 0.00 179.25 179.83 1u89 h ASP 843 N 0.54 0.98 0.74 0.00 3.58 -0.58 -2.74 116.42 118.94 1u89 h ASP 843 Ca 0.01 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 57.05 1u89 h ASP 843 Cb 1.12 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1u89 h ASP 843 CO 0.11 1.14 -0.18 0.00 -2.88 0.00 0.00 179.24 177.43 1u89 h ALA 844 N 0.88 1.10 0.00 -0.78 0.00 -0.31 -3.29 119.26 116.86 1u89 h ALA 844 Ca 0.12 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.45 1u89 h ALA 844 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u89 h ALA 844 CO 0.06 0.22 2.08 -1.91 0.00 0.00 0.00 179.25 179.70 1u89 n GLU 845 N -3.44 2.56 0.00 0.00 4.07 -1.00 -2.90 120.64 119.93 1u89 n GLU 845 Ca -0.01 -1.52 0.00 0.00 -0.06 0.00 0.00 57.16 55.58 1u89 n GLU 845 Cb 0.36 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 1u89 n GLU 845 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u89 n GLY 846 N 3.27 0.00 3.91 8.31 0.00 -1.24 -5.02 105.19 114.42 1u89 n GLY 846 Ca 0.55 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 3.15 0.14 1.61 -6.30 -1.14 -4.88 118.70 111.27 1u89 s GLU 847 Ca 0.00 0.16 0.23 0.00 -2.50 0.00 0.00 54.97 52.85 1u89 s GLU 847 Cb 0.00 -2.26 0.06 0.00 0.00 0.00 0.00 34.13 31.93 1u89 s GLU 847 CO 0.00 -0.57 1.07 0.43 0.02 0.00 0.00 175.26 176.20 1u89 n SER 848 N -2.54 0.71 -4.09 -1.70 7.64 -1.26 -4.50 113.62 107.89 1u89 n SER 848 Ca 0.04 0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 1u89 n SER 848 Cb 0.57 0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 64.20 1u89 n SER 848 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 s ASP 849 N -4.76 5.12 0.00 6.43 -1.08 -1.26 -4.95 116.67 116.17 1u89 s ASP 849 Ca 0.01 -2.29 0.26 0.00 -0.52 0.00 0.00 52.55 50.02 1u89 s ASP 849 Cb 0.12 -1.79 1.18 0.00 -1.46 0.00 0.00 42.92 40.97 1u89 s ASP 849 CO 0.78 -0.46 1.85 0.18 0.52 0.00 0.00 175.17 178.04 1u89 n LEU 850 N 4.22 0.00 -0.05 -1.34 4.77 -1.26 -1.56 117.00 121.78 1u89 n LEU 850 Ca 0.01 0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 56.28 1u89 n LEU 850 Cb 0.40 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1u89 n LEU 850 CO 0.32 -0.05 0.39 -0.08 -1.33 0.00 0.00 177.39 176.64 1u89 h GLU 851 N 0.00 0.05 -0.41 3.23 4.22 -1.97 -3.15 114.58 116.54 1u89 h GLU 851 Ca 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.38 1u89 h GLU 851 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1u89 h GLU 851 CO 0.00 0.95 0.26 -0.97 -2.18 0.00 0.00 179.01 177.07 1u89 h ASN 852 N -0.82 0.43 -0.97 1.04 -1.24 -1.85 -2.52 115.58 109.65 1u89 h ASN 852 Ca -0.02 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.04 1u89 h ASN 852 Cb 1.00 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.89 1u89 h ASN 852 CO 0.02 0.31 0.62 0.77 -1.29 0.00 0.00 177.43 177.86 1u89 h SER 853 N 0.52 1.02 -0.92 1.15 4.64 -1.43 0.32 113.55 118.85 1u89 h SER 853 Ca 0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1u89 h SER 853 Cb -0.02 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 1u89 h SER 853 CO -0.06 0.67 0.52 0.03 -0.87 0.00 0.00 176.83 177.12 1u89 h ARG 854 N 1.17 1.27 -0.08 4.77 3.08 -1.43 -2.20 114.38 120.96 1u89 h ARG 854 Ca 0.40 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 1u89 h ARG 854 Cb 0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1u89 h ARG 854 CO -0.15 0.92 -0.56 0.87 -1.07 0.00 0.00 179.97 179.97 1u89 h LYS 855 N 1.28 0.25 -0.85 0.04 1.57 -0.67 -3.05 116.57 115.14 1u89 h LYS 855 Ca 0.32 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1u89 h LYS 855 Cb 0.01 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1u89 h LYS 855 CO -0.05 0.74 0.54 -0.07 -0.57 0.00 0.00 179.45 180.04 1u89 h LEU 856 N 0.19 0.87 -0.48 2.94 3.38 0.16 -1.25 115.31 121.12 1u89 h LEU 856 Ca -0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1u89 h LEU 856 Cb 1.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1u89 h LEU 856 CO 0.09 0.58 -0.71 -0.07 0.09 0.00 0.00 178.44 178.41 1u89 h LEU 857 N 1.01 0.00 -0.51 1.67 3.38 -1.40 -1.09 115.31 118.38 1u89 h LEU 857 Ca 0.36 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 1u89 h LEU 857 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1u89 h LEU 857 CO -0.15 0.71 -0.60 0.28 0.09 0.00 0.00 178.44 178.78 1u89 h SER 858 N 0.00 0.55 -0.37 -0.43 0.02 -1.33 -1.93 113.55 110.06 1u89 h SER 858 Ca -0.01 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.50 1u89 h SER 858 Cb 1.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1u89 h SER 858 CO 0.09 1.02 -0.29 0.00 -1.14 0.00 0.00 176.83 176.52 1u89 h ALA 859 N 0.98 0.54 0.00 3.77 0.00 -1.06 -2.83 119.26 120.65 1u89 h ALA 859 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1u89 h ALA 859 Cb 1.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1u89 h ALA 859 CO 0.11 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 1u89 h ALA 860 N 0.77 1.66 -0.54 0.00 0.00 -1.12 -2.02 119.26 118.02 1u89 h ALA 860 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u89 h ALA 860 Cb 0.87 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1u89 h ALA 860 CO 0.08 0.13 0.34 -0.22 0.00 0.00 0.00 179.25 179.58 1u89 h LYS 861 N 0.00 0.72 -0.42 0.00 3.64 -1.09 -1.64 116.57 117.78 1u89 h LYS 861 Ca -0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1u89 h LYS 861 Cb 0.21 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1u89 h LYS 861 CO 0.01 0.51 -0.11 0.82 -2.27 0.00 0.00 179.45 178.41 1u89 h ILE 862 N 0.73 1.26 -0.11 2.00 2.04 -1.35 -1.01 117.51 121.05 1u89 h ILE 862 Ca 0.19 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1u89 h ILE 862 Cb -0.04 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1u89 h ILE 862 CO -0.04 0.39 -0.15 -0.07 0.00 0.00 0.00 178.15 178.29 1u89 h LEU 863 N 0.68 -0.45 -0.28 1.44 -0.00 -1.02 0.14 115.31 115.82 1u89 h LEU 863 Ca 0.12 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1u89 h LEU 863 Cb 0.58 0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1u89 h LEU 863 CO 0.04 -0.19 0.03 0.00 -0.00 0.00 0.00 178.44 178.31 1u89 h ALA 864 N 0.85 0.37 -0.28 1.53 0.00 -1.10 -1.60 119.26 119.03 1u89 h ALA 864 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 864 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u89 h ALA 864 CO -0.22 0.07 0.15 0.22 0.00 0.00 0.00 179.25 179.47 1u89 h ASP 865 N 0.27 0.35 -0.55 0.00 3.58 -0.95 -0.80 116.42 118.31 1u89 h ASP 865 Ca 0.08 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1u89 h ASP 865 Cb 0.36 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1u89 h ASP 865 CO 0.01 0.33 0.13 0.00 -2.88 0.00 0.00 179.24 176.83 1u89 h ALA 866 N 1.03 1.11 -0.73 -0.78 0.00 -0.71 -1.72 119.26 117.46 1u89 h ALA 866 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 866 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1u89 h ALA 866 CO -0.02 0.59 0.19 1.15 0.00 0.00 0.00 179.25 181.17 1u89 h THR 867 N 0.89 1.26 -0.77 0.00 2.02 -0.88 0.20 112.91 115.63 1u89 h THR 867 Ca 0.19 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 1u89 h THR 867 Cb 0.34 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1u89 h THR 867 CO 0.00 0.37 0.30 0.00 0.37 0.00 0.00 175.52 176.57 1u89 h ALA 868 N 1.10 1.07 -0.65 6.16 0.00 -0.80 0.19 119.26 126.32 1u89 h ALA 868 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 868 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1u89 h ALA 868 CO -0.00 0.66 0.09 -0.22 0.00 0.00 0.00 179.25 179.77 1u89 h LYS 869 N 1.13 1.09 0.01 0.00 1.63 -0.75 0.10 116.57 119.77 1u89 h LYS 869 Ca 0.26 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1u89 h LYS 869 Cb 0.22 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1u89 h LYS 869 CO -0.02 1.01 -0.00 1.98 -3.45 0.00 0.00 179.45 178.96 1u89 h MET 870 N 1.01 -0.01 -0.57 1.90 4.05 -0.06 0.20 114.93 121.45 1u89 h MET 870 Ca 0.20 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1u89 h MET 870 Cb 0.46 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 1u89 h MET 870 CO 0.02 0.23 0.24 -0.24 0.23 0.00 0.00 176.91 177.38 1u89 h VAL 871 N -0.24 1.20 -0.27 -5.77 3.04 -0.57 0.11 116.25 113.76 1u89 h VAL 871 Ca -0.00 -0.60 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 1u89 h VAL 871 Cb 0.24 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1u89 h VAL 871 CO 0.00 0.24 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.70 1u89 h GLU 872 N 0.81 0.49 -0.10 4.17 4.81 -0.59 -1.99 114.58 122.18 1u89 h GLU 872 Ca 0.20 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1u89 h GLU 872 Cb 0.13 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1u89 h GLU 872 CO -0.02 0.67 -0.02 0.00 -0.73 0.00 0.00 179.01 178.90 1u89 h ALA 873 N 0.80 0.14 -0.56 2.92 0.00 -0.20 0.56 119.26 122.93 1u89 h ALA 873 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 873 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1u89 h ALA 873 CO 0.02 -0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.43 1u89 h ALA 874 N 0.68 0.71 -0.04 0.00 0.00 -0.82 0.96 119.26 120.76 1u89 h ALA 874 Ca 0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 874 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u89 h ALA 874 CO 0.01 0.24 -0.81 0.87 0.00 0.00 0.00 179.25 179.55 1u89 h LYS 875 N 0.75 0.37 -0.24 0.00 1.57 -1.38 -2.89 116.57 114.74 1u89 h LYS 875 Ca 0.19 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1u89 h LYS 875 Cb 0.06 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1u89 h LYS 875 CO -0.03 1.00 -0.07 0.78 -0.57 0.00 0.00 179.45 180.56 1u89 h GLY 876 N 1.36 0.52 1.76 3.86 0.00 -0.55 -2.78 103.07 107.24 1u89 h GLY 876 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1u89 h GLY 876 CO 0.14 0.40 0.00 0.00 0.00 0.00 0.00 176.54 177.07 1u89 n ALA 877 N -2.39 2.01 0.46 3.60 0.00 0.30 -0.38 120.51 124.11 1u89 n ALA 877 Ca -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1u89 n ALA 877 Cb 0.31 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.60 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 2.85 0.67 0.00 0.00 0.00 -1.27 -3.42 119.26 118.10 1u89 h ALA 878 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 878 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u89 h ALA 878 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.87 1u89 n ALA 879 N -1.91 2.59 -2.69 0.00 0.00 -1.03 -4.99 120.51 112.48 1u89 n ALA 879 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1u89 n ALA 879 Cb 0.47 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u89 s HIS 880 N -1.74 3.40 0.83 0.00 5.04 0.49 -5.08 115.29 118.22 1u89 s HIS 880 Ca 0.00 0.59 -0.12 0.00 -1.54 0.00 0.00 55.06 54.00 1u89 s HIS 880 Cb 0.00 -2.46 0.09 0.00 0.04 0.00 0.00 32.58 30.25 1u89 s HIS 880 CO 0.00 0.07 1.11 -2.14 -2.34 0.00 0.00 174.74 171.44 1u89 s PRO 881 N 1.03 1.80 0.43 2.88 0.02 -1.26 -4.35 135.00 135.54 1u89 s PRO 881 Ca 0.18 0.49 0.24 0.00 0.02 0.00 0.00 61.00 61.93 1u89 s PRO 881 Cb -0.14 -1.90 0.42 0.00 0.02 0.00 0.00 34.50 32.90 1u89 s PRO 881 CO 0.07 -1.79 1.64 0.22 -0.33 0.00 0.00 177.00 176.81 1u89 h ASP 882 N -1.21 0.00 -2.03 2.53 3.58 -1.93 -3.46 116.42 113.91 1u89 h ASP 882 Ca -0.48 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.33 1u89 h ASP 882 Cb 1.29 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.43 1u89 h ASP 882 CO 0.61 0.00 0.25 -1.20 -2.88 0.00 0.00 179.24 176.02 1u89 n SER 883 N -3.03 1.35 -4.46 2.28 7.64 -1.26 -4.84 113.62 111.31 1u89 n SER 883 Ca 0.04 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.63 1u89 n SER 883 Cb 0.51 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1u89 n SER 883 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 n GLU 884 N 1.61 3.25 0.00 1.43 4.71 -1.26 -4.89 120.64 125.49 1u89 n GLU 884 Ca 0.14 -3.43 0.00 0.00 -0.01 0.00 0.00 57.16 53.86 1u89 n GLU 884 Cb 0.26 -3.32 0.00 0.00 -1.01 0.00 0.00 31.44 27.37 1u89 n GLU 884 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1u89 n GLU 885 N 7.19 0.00 -3.51 3.49 0.00 -1.26 -4.86 120.64 121.69 1u89 n GLU 885 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 57.37 1u89 n GLU 885 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.95 1u89 n GLU 885 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1u89 n GLN 886 N 5.02 -7.54 -1.20 5.31 6.02 -1.26 -4.89 117.38 118.84 1u89 n GLN 886 Ca 0.00 0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 57.57 1u89 n GLN 886 Cb 0.00 -5.87 0.14 0.00 1.02 0.00 0.00 30.24 25.52 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u89 n GLN 887 N -4.87 2.32 -2.86 -1.09 6.02 -1.26 -4.85 117.38 110.78 1u89 n GLN 887 Ca -0.01 -2.92 -0.43 0.00 -0.01 0.00 0.00 57.00 53.63 1u89 n GLN 887 Cb 0.57 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 1u89 n GLN 887 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1u89 s GLN 888 N -3.27 3.77 0.00 -1.09 -1.52 -1.26 -5.33 119.66 110.96 1u89 s GLN 888 Ca 0.56 -1.94 0.25 0.00 -1.95 0.00 0.00 55.36 52.28 1u89 s GLN 888 Cb 0.46 -5.06 0.35 0.00 -0.22 0.00 0.00 33.01 28.54 1u89 s GLN 888 CO 0.06 -1.86 1.35 0.54 -0.25 0.00 0.00 175.29 175.13