#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 h SER 752 N 0.00 -0.08 0.00 1.61 0.02 -1.97 -3.40 113.55 109.72 1u89 h SER 752 Ca 0.00 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.61 1u89 h SER 752 Cb 0.00 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1u89 h SER 752 CO 0.00 0.18 -1.40 1.57 -1.14 0.00 0.00 176.83 176.04 1u89 n HIS 753 N -5.02 0.00 -1.14 3.45 -0.00 -1.26 -5.13 115.22 106.12 1u89 n HIS 753 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1u89 n HIS 753 Cb 0.17 -0.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 1u89 n HIS 753 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1u89 n MET 754 N -3.22 0.00 -2.83 1.57 0.00 -1.26 -5.06 117.12 106.31 1u89 n MET 754 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.29 1u89 n MET 754 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.79 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 0.00 3.25 -0.03 2.12 3.00 -1.26 -4.34 117.38 120.12 1u89 n GLN 755 Ca 0.00 -4.75 -0.04 0.00 -0.01 0.00 0.00 57.00 52.20 1u89 n GLN 755 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 30.24 28.00 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u89 n ALA 756 N -0.30 1.03 1.26 -1.58 0.00 -1.26 -4.67 120.51 114.99 1u89 n ALA 756 Ca 0.33 -0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1u89 n ALA 756 Cb 0.46 0.04 0.38 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.43 3.05 0.00 0.00 0.00 -1.26 -4.95 120.51 113.92 1u89 n ALA 757 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1u89 n ALA 757 Cb 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.58 0.00 -3.38 0.00 -1.04 -1.26 -4.55 114.28 103.47 1u89 n THR 758 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.96 1u89 n THR 758 Cb 0.35 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.94 1u89 n THR 758 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u89 n GLU 759 N 0.00 -6.53 -0.01 -2.82 4.71 -1.26 -4.60 120.64 110.12 1u89 n GLU 759 Ca 0.00 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 1u89 n GLU 759 Cb 0.00 -5.63 0.00 0.00 -1.01 0.00 0.00 31.44 24.80 1u89 n GLU 759 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1u89 n ASP 760 N -2.89 1.62 -2.96 1.62 -0.08 -1.26 -4.99 116.55 107.60 1u89 n ASP 760 Ca -0.19 -0.01 -0.32 0.00 -1.51 0.00 0.00 54.79 52.77 1u89 n ASP 760 Cb 0.63 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.02 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u89 n GLY 761 N 5.00 4.06 0.29 0.27 0.00 -1.26 -4.57 105.19 108.98 1u89 n GLY 761 Ca 0.00 -1.51 0.19 0.00 0.00 0.00 0.00 46.02 44.69 1u89 n GLY 761 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u89 h GLN 762 N 4.36 0.00 -0.37 1.61 4.20 -1.97 -1.92 115.11 121.01 1u89 h GLN 762 Ca 0.66 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.42 1u89 h GLN 762 Cb 0.61 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1u89 h GLN 762 CO 1.32 0.00 0.13 -0.07 -0.67 0.00 0.00 178.83 179.55 1u89 h LEU 763 N 0.00 0.15 0.11 1.46 -0.00 -1.95 0.19 115.31 115.26 1u89 h LEU 763 Ca -0.00 0.04 -0.31 0.00 -0.00 0.00 0.00 57.88 57.61 1u89 h LEU 763 Cb 0.39 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1u89 h LEU 763 CO 0.00 0.12 -1.56 -0.07 -0.00 0.00 0.00 178.44 176.94 1u89 h LEU 764 N 0.29 0.35 -0.20 1.67 3.38 -1.85 0.24 115.31 119.20 1u89 h LEU 764 Ca 0.17 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1u89 h LEU 764 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1u89 h LEU 764 CO -0.17 1.43 0.06 0.03 0.09 0.00 0.00 178.44 179.88 1u89 h ARG 765 N 0.06 0.32 0.00 1.13 -0.00 -1.24 -2.63 114.38 112.02 1u89 h ARG 765 Ca -0.25 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.16 1u89 h ARG 765 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1u89 h ARG 765 CO 0.15 0.43 -0.41 0.41 0.00 0.00 0.00 179.97 180.56 1u89 n GLY 766 N -0.56 -0.66 0.21 0.04 0.00 0.64 -3.96 105.19 100.89 1u89 n GLY 766 Ca -0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.56 1.20 -0.21 1.61 2.07 -1.44 -0.41 116.25 118.52 1u89 h VAL 767 Ca 0.00 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1u89 h VAL 767 Cb 0.41 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1u89 h VAL 767 CO 0.00 0.23 -0.02 1.23 0.02 0.00 0.00 177.57 179.03 1u89 h GLY 768 N 0.56 0.18 0.93 2.17 0.00 -0.67 0.36 103.07 106.59 1u89 h GLY 768 Ca 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1u89 h GLY 768 CO -0.01 -0.06 0.12 0.00 0.00 0.00 0.00 176.54 176.59 1u89 h ALA 769 N 1.19 0.50 -0.56 3.60 0.00 -1.29 -1.12 119.26 121.58 1u89 h ALA 769 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 769 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 769 CO -0.18 0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.38 1u89 h ALA 770 N 0.96 0.74 -0.59 0.00 0.00 -0.79 -1.13 119.26 118.44 1u89 h ALA 770 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 770 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1u89 h ALA 770 CO -0.00 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.85 1u89 h ALA 771 N 1.04 0.77 -0.26 0.00 0.00 -0.17 -2.31 119.26 118.32 1u89 h ALA 771 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 771 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 771 CO -0.00 0.42 -0.12 1.15 0.00 0.00 0.00 179.25 180.70 1u89 h THR 772 N 0.83 1.22 -0.70 0.00 2.02 -1.00 -0.52 112.91 114.75 1u89 h THR 772 Ca 0.19 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.41 1u89 h THR 772 Cb 0.27 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1u89 h THR 772 CO -0.01 0.31 0.46 0.00 0.37 0.00 0.00 175.52 176.65 1u89 h ALA 773 N 1.47 0.89 -0.21 6.16 0.00 -0.70 0.20 119.26 127.06 1u89 h ALA 773 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 773 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u89 h ALA 773 CO 0.03 0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.86 1u89 h VAL 774 N 0.96 1.27 -0.93 0.00 2.07 -0.95 0.26 116.25 118.92 1u89 h VAL 774 Ca 0.26 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1u89 h VAL 774 Cb -0.10 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1u89 h VAL 774 CO -0.05 0.29 0.58 0.74 0.02 0.00 0.00 177.57 179.14 1u89 h THR 775 N 0.14 0.99 -0.09 2.57 2.02 -0.71 0.14 112.91 117.97 1u89 h THR 775 Ca 0.06 -0.34 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 1u89 h THR 775 Cb 0.44 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1u89 h THR 775 CO 0.01 0.18 -0.64 1.56 0.37 0.00 0.00 175.52 177.01 1u89 h GLN 776 N 1.00 0.59 -0.44 6.66 1.08 -0.51 -2.33 115.11 121.15 1u89 h GLN 776 Ca 0.43 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1u89 h GLN 776 Cb 0.30 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1u89 h GLN 776 CO -0.21 1.14 0.29 0.00 -0.95 0.00 0.00 178.83 179.09 1u89 h ALA 777 N 0.46 0.57 -0.77 3.87 0.00 -0.42 -1.66 119.26 121.31 1u89 h ALA 777 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 777 Cb 1.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1u89 h ALA 777 CO 0.13 0.03 0.34 1.25 0.00 0.00 0.00 179.25 181.00 1u89 h LEU 778 N 0.60 1.02 -1.00 0.00 5.85 -0.78 -1.96 115.31 119.04 1u89 h LEU 778 Ca 0.16 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1u89 h LEU 778 Cb -0.05 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1u89 h LEU 778 CO -0.03 0.89 0.66 0.78 -0.34 0.00 0.00 178.44 180.39 1u89 h ASN 779 N 1.10 1.16 0.14 1.25 2.35 -0.90 0.02 115.58 120.70 1u89 h ASN 779 Ca 0.26 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1u89 h ASN 779 Cb 0.16 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1u89 h ASN 779 CO -0.03 0.84 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.20 1u89 h GLU 780 N 1.36 -0.18 -0.70 0.81 4.39 -0.81 -3.17 114.58 116.29 1u89 h GLU 780 Ca 0.37 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.02 1u89 h GLU 780 Cb -0.15 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1u89 h GLU 780 CO -0.08 0.08 0.22 1.25 -1.16 0.00 0.00 179.01 179.32 1u89 h LEU 781 N -0.43 1.03 0.16 1.33 5.85 -1.13 -2.43 115.31 119.68 1u89 h LEU 781 Ca -0.02 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1u89 h LEU 781 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1u89 h LEU 781 CO 0.03 0.96 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.72 1u89 h LEU 782 N 1.03 -0.87 -1.18 2.25 3.38 -1.01 0.29 115.31 119.21 1u89 h LEU 782 Ca 0.23 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1u89 h LEU 782 Cb 0.31 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1u89 h LEU 782 CO -0.01 -0.40 -0.30 0.06 0.09 0.00 0.00 178.44 177.88 1u89 h GLN 783 N -0.55 0.18 -0.16 1.13 3.07 -1.55 -1.61 115.11 115.61 1u89 h GLN 783 Ca 0.02 -0.06 -0.15 0.00 0.09 0.00 0.00 58.65 58.55 1u89 h GLN 783 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1u89 h GLN 783 CO -0.16 0.47 -0.52 1.25 0.09 0.00 0.00 178.83 179.97 1u89 h HIS 784 N 0.16 0.55 0.06 0.06 2.76 -0.83 -2.82 115.15 115.09 1u89 h HIS 784 Ca 0.02 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 57.91 1u89 h HIS 784 Cb 0.62 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.49 1u89 h HIS 784 CO 0.01 0.87 -0.42 0.28 -1.30 0.00 0.00 177.93 177.37 1u89 h VAL 785 N 0.35 1.61 -0.27 5.26 2.07 -0.22 -3.19 116.25 121.86 1u89 h VAL 785 Ca 0.01 -2.33 0.05 0.00 0.82 0.00 0.00 66.70 65.25 1u89 h VAL 785 Cb 1.03 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 1u89 h VAL 785 CO 0.09 0.64 0.19 0.11 0.02 0.00 0.00 177.57 178.62 1u89 h LYS 786 N -0.59 0.14 -0.48 1.57 1.57 -1.33 0.21 116.57 117.66 1u89 h LYS 786 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u89 h LYS 786 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1u89 h LYS 786 CO 0.08 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 1u89 n ALA 787 N -2.55 2.42 -2.00 3.86 0.00 -1.07 -4.92 120.51 116.25 1u89 n ALA 787 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1u89 n ALA 787 Cb 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.29 0.00 -4.88 0.00 8.25 0.06 -5.07 115.22 114.86 1u89 n HIS 788 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1u89 n HIS 788 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 0.00 0.05 -1.41 0.00 -1.20 -4.18 120.51 110.77 1u89 n ALA 789 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1u89 n ALA 789 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1u89 n ALA 789 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1u89 h THR 790 N 0.00 1.08 0.00 0.00 1.35 -1.89 -3.44 112.91 110.02 1u89 h THR 790 Ca 0.00 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1u89 h THR 790 Cb 0.00 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1u89 h THR 790 CO 0.00 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1u89 n GLY 791 N 1.39 1.92 3.08 5.82 0.00 -1.26 -4.86 105.19 111.28 1u89 n GLY 791 Ca -0.06 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 s ALA 792 N -0.41 2.79 0.00 4.61 0.00 -1.26 -3.56 121.76 123.93 1u89 s ALA 792 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1u89 s ALA 792 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1u89 s ALA 792 CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1u89 n GLY 793 N 4.44 -0.53 0.16 0.00 0.00 -1.26 -4.92 105.19 103.07 1u89 n GLY 793 Ca -0.07 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1u89 n GLY 793 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u89 h PRO 794 N 0.00 0.00 0.00 1.61 0.11 -1.94 -3.37 132.00 128.41 1u89 h PRO 794 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u89 h PRO 794 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1u89 h PRO 794 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1u89 n ALA 795 N -1.86 0.00 -0.51 -0.75 0.00 -1.26 -4.89 120.51 111.24 1u89 n ALA 795 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1u89 n ALA 795 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 2.63 1.37 3.14 0.00 0.00 -1.23 -4.37 105.19 106.72 1u89 n GLY 796 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.26 0.00 1.61 0.52 -1.26 -4.88 118.95 115.20 1u89 s ARG 797 Ca 0.00 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.43 1u89 s ARG 797 Cb 0.00 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 1u89 s ARG 797 CO 0.00 -0.48 2.05 0.66 0.02 0.00 0.00 175.30 177.55 1u89 n TYR 798 N 5.12 0.00 0.21 -0.53 4.02 -1.26 -4.35 117.16 120.37 1u89 n TYR 798 Ca 0.08 -0.98 0.06 0.00 -0.01 0.00 0.00 57.90 57.05 1u89 n TYR 798 Cb 0.57 -0.61 0.47 0.00 -0.02 0.00 0.00 39.34 39.75 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1u89 h ASP 799 N 1.49 0.00 0.01 7.72 1.82 -1.97 0.16 116.42 125.66 1u89 h ASP 799 Ca 0.02 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.42 1u89 h ASP 799 Cb 0.99 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.02 1u89 h ASP 799 CO 0.03 0.28 -0.97 1.56 -1.61 0.00 0.00 179.24 178.53 1u89 h GLN 800 N 0.00 0.64 -0.19 0.28 7.50 -1.99 -1.58 115.11 119.77 1u89 h GLN 800 Ca -0.00 -0.70 -0.02 0.00 0.50 0.00 0.00 58.65 58.43 1u89 h GLN 800 Cb 0.59 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.31 1u89 h GLN 800 CO 0.04 1.29 0.06 0.00 -1.50 0.00 0.00 178.83 178.71 1u89 h ALA 801 N 0.37 0.25 -0.76 3.87 0.00 -1.70 0.14 119.26 121.42 1u89 h ALA 801 Ca -0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 801 Cb 1.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1u89 h ALA 801 CO 0.19 -0.12 0.27 1.79 0.00 0.00 0.00 179.25 181.38 1u89 h THR 802 N 0.13 1.26 -0.71 0.00 1.35 -0.78 -1.03 112.91 113.14 1u89 h THR 802 Ca 0.06 -0.87 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 1u89 h THR 802 Cb 0.24 0.38 -0.03 0.00 -1.73 0.00 0.00 68.15 67.01 1u89 h THR 802 CO -0.00 0.35 0.29 -0.78 -0.25 0.00 0.00 175.52 175.13 1u89 h ASP 803 N 1.13 0.97 -0.53 5.36 3.58 -1.05 0.73 116.42 126.60 1u89 h ASP 803 Ca 0.25 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1u89 h ASP 803 Cb 0.26 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1u89 h ASP 803 CO -0.01 0.87 0.33 0.74 -2.88 0.00 0.00 179.24 178.29 1u89 h THR 804 N 1.01 1.08 0.21 2.25 2.02 -0.16 0.34 112.91 119.67 1u89 h THR 804 Ca 0.24 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1u89 h THR 804 Cb 0.20 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1u89 h THR 804 CO -0.02 0.12 -0.17 0.40 0.37 0.00 0.00 175.52 176.22 1u89 h ILE 805 N 0.66 0.62 -1.01 3.11 2.04 -0.74 -0.10 117.51 122.10 1u89 h ILE 805 Ca 0.21 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.15 1u89 h ILE 805 Cb -0.01 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1u89 h ILE 805 CO -0.08 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 178.64 1u89 h LEU 806 N -0.40 1.01 -1.18 1.44 3.38 -0.45 0.12 115.31 119.23 1u89 h LEU 806 Ca -0.01 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1u89 h LEU 806 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1u89 h LEU 806 CO -0.02 0.61 -0.07 0.74 0.09 0.00 0.00 178.44 179.79 1u89 h THR 807 N 1.12 1.21 0.02 0.22 2.02 0.07 0.10 112.91 117.68 1u89 h THR 807 Ca 0.45 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1u89 h THR 807 Cb 0.27 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1u89 h THR 807 CO -0.20 0.30 -0.01 0.58 0.37 0.00 0.00 175.52 176.56 1u89 h VAL 808 N 0.46 1.39 -0.73 3.16 2.07 0.95 0.19 116.25 123.74 1u89 h VAL 808 Ca 0.09 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1u89 h VAL 808 Cb 0.41 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1u89 h VAL 808 CO 0.02 0.34 0.48 0.74 0.02 0.00 0.00 177.57 179.17 1u89 h THR 809 N -0.61 1.19 -0.49 2.57 2.02 -0.80 -0.61 112.91 116.18 1u89 h THR 809 Ca -0.00 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1u89 h THR 809 Cb 0.58 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1u89 h THR 809 CO 0.00 0.18 0.14 -0.08 0.37 0.00 0.00 175.52 176.14 1u89 h GLU 810 N 0.99 0.72 -0.04 6.66 4.57 -0.81 -1.90 114.58 124.77 1u89 h GLU 810 Ca 0.27 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1u89 h GLU 810 Cb -0.11 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1u89 h GLU 810 CO -0.06 0.64 -0.04 -0.97 -1.18 0.00 0.00 179.01 177.40 1u89 h ASN 811 N 0.71 -0.12 -0.68 1.04 -0.73 0.61 -0.77 115.58 115.64 1u89 h ASN 811 Ca 0.16 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.39 1u89 h ASN 811 Cb 0.22 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1u89 h ASN 811 CO -0.01 -0.06 0.45 0.40 -0.37 0.00 0.00 177.43 177.84 1u89 h ILE 812 N -0.05 1.11 -0.50 2.57 2.04 -0.81 0.32 117.51 122.20 1u89 h ILE 812 Ca 0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1u89 h ILE 812 Cb 0.09 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1u89 h ILE 812 CO -0.07 0.15 0.09 -0.26 0.00 0.00 0.00 178.15 178.06 1u89 h PHE 813 N 0.83 0.79 0.12 1.37 0.04 -0.66 -1.23 116.94 118.21 1u89 h PHE 813 Ca 0.27 -0.08 -0.29 0.00 2.80 0.00 0.00 57.97 60.67 1u89 h PHE 813 Cb 0.04 -0.23 0.02 0.00 2.20 0.00 0.00 35.95 37.98 1u89 h PHE 813 CO -0.00 0.69 -1.22 0.77 -0.60 0.00 0.00 178.31 177.95 1u89 h SER 814 N 0.74 0.74 -0.63 2.17 0.02 0.33 -3.24 113.55 113.68 1u89 h SER 814 Ca 0.16 -0.69 -0.30 0.00 -0.84 0.00 0.00 61.79 60.12 1u89 h SER 814 Cb 0.31 -0.23 -0.18 0.00 0.14 0.00 0.00 62.40 62.44 1u89 h SER 814 CO 0.00 1.51 0.38 -1.20 -1.14 0.00 0.00 176.83 176.38 1u89 n SER 815 N -3.73 3.60 -4.55 3.07 7.64 0.97 -4.90 113.62 115.72 1u89 n SER 815 Ca -0.12 -3.01 -0.28 0.00 1.01 0.00 0.00 58.87 56.47 1u89 n SER 815 Cb 0.98 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 1u89 n SER 815 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1u89 s MET 816 N -2.20 2.10 0.00 1.43 1.00 -0.48 -1.09 119.30 120.05 1u89 s MET 816 Ca 0.38 0.75 0.00 0.00 0.00 0.00 0.00 55.69 56.82 1u89 s MET 816 Cb 0.32 -4.68 0.00 0.00 0.00 0.00 0.00 34.83 30.47 1u89 s MET 816 CO 0.08 -3.57 0.00 0.41 0.00 0.00 0.00 175.02 171.94 1u89 n GLY 817 N 6.32 1.03 3.34 -0.03 0.00 -1.26 -5.06 105.19 109.53 1u89 n GLY 817 Ca 0.37 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.15 6.76 0.24 1.61 -1.08 -0.25 -4.92 116.67 118.88 1u89 s ASP 818 Ca 0.00 -2.66 -0.05 0.00 -0.52 0.00 0.00 52.55 49.33 1u89 s ASP 818 Cb 0.00 -2.22 0.39 0.00 -1.46 0.00 0.00 42.92 39.63 1u89 s ASP 818 CO 0.00 -0.60 1.79 0.00 0.52 0.00 0.00 175.17 176.88 1u89 h ALA 819 N 7.84 1.13 0.04 3.66 0.00 -1.89 0.19 119.26 130.24 1u89 h ALA 819 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u89 h ALA 819 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u89 h ALA 819 CO 0.77 0.03 -0.02 0.78 0.00 0.00 0.00 179.25 180.81 1u89 h GLY 820 N 0.71 -0.06 1.31 0.00 0.00 -1.95 0.12 103.07 103.19 1u89 h GLY 820 Ca 0.39 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.68 1u89 h GLY 820 CO -0.27 -0.02 0.07 -2.09 0.00 0.00 0.00 176.54 174.23 1u89 h GLU 821 N -0.26 0.86 -0.10 4.80 4.81 -1.84 -0.71 114.58 122.14 1u89 h GLU 821 Ca -0.01 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1u89 h GLU 821 Cb 0.24 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1u89 h GLU 821 CO 0.01 0.81 0.04 0.52 -0.73 0.00 0.00 179.01 179.66 1u89 h MET 822 N 0.81 0.15 -0.42 1.92 2.86 -0.43 0.20 114.93 120.01 1u89 h MET 822 Ca 0.17 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1u89 h MET 822 Cb 0.38 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1u89 h MET 822 CO 0.01 0.25 0.26 0.28 1.06 0.00 0.00 176.91 178.78 1u89 h VAL 823 N 0.01 1.07 -0.29 -2.22 2.07 -0.56 0.27 116.25 116.61 1u89 h VAL 823 Ca 0.03 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1u89 h VAL 823 Cb 0.16 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1u89 h VAL 823 CO -0.00 0.10 0.18 -0.09 0.02 0.00 0.00 177.57 177.77 1u89 h ARG 824 N 0.54 0.35 -0.29 1.57 2.43 -0.95 -0.45 114.38 117.58 1u89 h ARG 824 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1u89 h ARG 824 Cb -0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1u89 h ARG 824 CO -0.06 0.23 0.17 1.96 -1.51 0.00 0.00 179.97 180.76 1u89 h GLN 825 N 0.36 0.40 -0.11 0.20 1.08 -0.24 -1.95 115.11 114.86 1u89 h GLN 825 Ca 0.11 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1u89 h GLN 825 Cb -0.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1u89 h GLN 825 CO -0.04 0.33 0.07 0.00 -0.95 0.00 0.00 178.83 178.24 1u89 h ALA 826 N 1.05 1.91 -0.14 3.87 0.00 -0.14 0.12 119.26 125.93 1u89 h ALA 826 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 826 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u89 h ALA 826 CO -0.02 0.08 -0.58 0.00 0.00 0.00 0.00 179.25 178.74 1u89 h ARG 827 N 0.15 0.43 -0.61 0.00 3.08 -0.54 -0.13 114.38 116.77 1u89 h ARG 827 Ca 0.04 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1u89 h ARG 827 Cb -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1u89 h ARG 827 CO -0.01 0.89 0.04 0.82 -1.07 0.00 0.00 179.97 180.64 1u89 h ILE 828 N 0.33 1.26 -0.21 2.04 2.04 -0.34 -2.29 117.51 120.34 1u89 h ILE 828 Ca -0.00 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1u89 h ILE 828 Cb 1.11 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1u89 h ILE 828 CO 0.10 0.40 0.03 0.25 0.00 0.00 0.00 178.15 178.93 1u89 h LEU 829 N 0.95 -0.01 -0.59 1.44 5.85 -0.52 -1.14 115.31 121.29 1u89 h LEU 829 Ca 0.18 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1u89 h LEU 829 Cb 0.51 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1u89 h LEU 829 CO 0.02 0.02 0.31 0.00 -0.34 0.00 0.00 178.44 178.45 1u89 h ALA 830 N 1.16 0.78 -0.39 1.25 0.00 -0.86 -0.71 119.26 120.50 1u89 h ALA 830 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1u89 h ALA 830 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u89 h ALA 830 CO -0.14 -0.03 0.14 0.37 0.00 0.00 0.00 179.25 179.59 1u89 h GLN 831 N 0.58 0.60 -0.03 0.00 5.75 -1.11 -1.72 115.11 119.19 1u89 h GLN 831 Ca 0.27 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1u89 h GLN 831 Cb 0.18 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1u89 h GLN 831 CO -0.18 0.58 0.01 0.00 -2.65 0.00 0.00 178.83 176.59 1u89 h ALA 832 N 0.98 0.04 -0.47 3.38 0.00 -0.64 -2.78 119.26 119.76 1u89 h ALA 832 Ca 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 832 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 832 CO -0.01 -0.33 -0.01 1.15 0.00 0.00 0.00 179.25 180.05 1u89 h THR 833 N -0.19 1.24 -0.88 0.00 2.02 -1.16 -1.15 112.91 112.79 1u89 h THR 833 Ca 0.01 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1u89 h THR 833 Cb 0.25 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1u89 h THR 833 CO 0.00 0.35 0.58 0.28 0.37 0.00 0.00 175.52 177.10 1u89 h SER 834 N 0.73 0.90 -0.10 4.18 0.02 -1.22 0.16 113.55 118.22 1u89 h SER 834 Ca 0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1u89 h SER 834 Cb 0.45 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1u89 h SER 834 CO 0.02 0.59 -0.14 -0.78 -1.14 0.00 0.00 176.83 175.38 1u89 h ASP 835 N 1.03 0.31 -0.04 3.07 3.58 -1.17 -3.04 116.42 120.15 1u89 h ASP 835 Ca 0.37 -0.52 0.03 0.00 0.42 0.00 0.00 57.03 57.33 1u89 h ASP 835 Cb 0.14 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1u89 h ASP 835 CO -0.13 0.77 -0.14 0.25 -2.88 0.00 0.00 179.24 177.11 1u89 h LEU 836 N -0.14 -0.41 -1.25 2.28 5.85 -0.42 -2.24 115.31 118.98 1u89 h LEU 836 Ca 0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1u89 h LEU 836 Cb 0.69 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1u89 h LEU 836 CO 0.03 -0.19 0.51 0.58 -0.34 0.00 0.00 178.44 179.03 1u89 h VAL 837 N -0.21 1.19 -0.58 1.05 2.07 -0.81 -2.10 116.25 116.86 1u89 h VAL 837 Ca 0.06 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1u89 h VAL 837 Cb 0.29 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1u89 h VAL 837 CO -0.17 0.19 -0.01 -1.13 0.02 0.00 0.00 177.57 176.48 1u89 h ASN 838 N 1.03 0.99 -0.29 0.57 -1.24 -1.33 -0.59 115.58 114.72 1u89 h ASN 838 Ca 0.28 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 57.03 1u89 h ASN 838 Cb -0.11 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.65 1u89 h ASN 838 CO -0.06 1.04 0.18 0.00 -1.29 0.00 0.00 177.43 177.30 1u89 h ALA 839 N 1.06 0.37 -0.58 1.57 0.00 -0.81 -0.44 119.26 120.43 1u89 h ALA 839 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 839 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1u89 h ALA 839 CO 0.03 -0.19 0.01 0.82 0.00 0.00 0.00 179.25 179.92 1u89 h ILE 840 N 0.36 1.26 -0.92 0.00 2.04 -1.29 0.10 117.51 119.06 1u89 h ILE 840 Ca 0.11 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1u89 h ILE 840 Cb -0.01 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1u89 h ILE 840 CO -0.05 0.40 0.60 0.11 0.00 0.00 0.00 178.15 179.21 1u89 h LYS 841 N 0.91 1.22 0.01 2.37 1.57 -0.63 0.12 116.57 122.14 1u89 h LYS 841 Ca 0.17 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1u89 h LYS 841 Cb 0.51 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1u89 h LYS 841 CO 0.02 0.82 -1.02 0.00 -0.57 0.00 0.00 179.45 178.71 1u89 h ALA 842 N 1.41 0.22 -0.00 3.86 0.00 -0.77 -3.29 119.26 120.68 1u89 h ALA 842 Ca 0.34 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1u89 h ALA 842 Cb -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u89 h ALA 842 CO -0.07 0.75 -0.00 0.22 0.00 0.00 0.00 179.25 180.15 1u89 h ASP 843 N 0.31 0.01 0.17 0.00 3.58 -0.31 -3.07 116.42 117.11 1u89 h ASP 843 Ca -0.11 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1u89 h ASP 843 Cb 1.66 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1u89 h ASP 843 CO 0.19 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 1u89 h ALA 844 N 0.55 1.00 -0.43 -0.78 0.00 -0.93 -0.71 119.26 117.95 1u89 h ALA 844 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u89 h ALA 844 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 844 CO 0.00 0.00 0.14 1.49 0.00 0.00 0.00 179.25 180.88 1u89 h GLU 845 N 0.00 0.63 -1.30 0.00 4.57 -1.60 -3.23 114.58 113.66 1u89 h GLU 845 Ca 0.00 -0.10 -0.54 0.00 -1.18 0.00 0.00 59.36 57.54 1u89 h GLU 845 Cb 0.08 -0.11 -0.42 0.00 -0.16 0.00 0.00 28.75 28.14 1u89 h GLU 845 CO 0.00 0.55 -0.82 0.41 -1.18 0.00 0.00 179.01 177.98 1u89 n GLY 846 N -1.06 5.36 3.95 1.92 0.00 -0.28 -5.06 105.19 110.02 1u89 n GLY 846 Ca 0.03 -2.51 -0.20 0.00 0.00 0.00 0.00 46.02 43.34 1u89 n GLY 846 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u89 n GLU 847 N -0.47 0.59 -2.59 1.61 0.28 -1.21 -4.87 120.64 113.98 1u89 n GLU 847 Ca 0.35 -3.15 -0.33 0.00 -0.16 0.00 0.00 57.16 53.86 1u89 n GLU 847 Cb 0.73 -0.25 -0.00 0.00 1.43 0.00 0.00 31.44 33.35 1u89 n GLU 847 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1u89 n SER 848 N -2.33 5.86 -0.19 -1.84 7.64 -1.26 -4.96 113.62 116.53 1u89 n SER 848 Ca 0.17 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.33 1u89 n SER 848 Cb 0.61 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1u89 n SER 848 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u89 n ASP 849 N -0.29 0.00 0.03 6.43 -0.08 -1.26 -5.07 116.55 116.30 1u89 n ASP 849 Ca 0.41 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1u89 n ASP 849 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1u89 n ASP 849 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1u89 n LEU 850 N 0.00 -0.20 0.04 -2.67 -0.00 -1.26 -4.73 117.00 108.17 1u89 n LEU 850 Ca 0.00 0.10 -0.07 0.00 -0.00 0.00 0.00 56.01 56.04 1u89 n LEU 850 Cb 0.00 0.32 0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1u89 n LEU 850 CO 0.00 -0.50 0.51 -0.08 -0.00 0.00 0.00 177.39 177.32 1u89 h GLU 851 N 0.00 0.43 -0.62 1.96 4.57 -1.99 -0.08 114.58 118.86 1u89 h GLU 851 Ca 0.00 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 1u89 h GLU 851 Cb 0.00 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1u89 h GLU 851 CO 0.00 0.85 0.16 -0.97 -1.18 0.00 0.00 179.01 177.88 1u89 h ASN 852 N 0.34 0.93 -0.35 1.04 -1.24 -1.98 0.16 115.58 114.48 1u89 h ASN 852 Ca 0.01 -0.23 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 1u89 h ASN 852 Cb 1.04 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 1u89 h ASN 852 CO 0.09 0.91 0.04 0.28 -1.29 0.00 0.00 177.43 177.46 1u89 h SER 853 N 0.90 0.57 -0.52 1.15 0.02 -1.79 0.15 113.55 114.02 1u89 h SER 853 Ca 0.20 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1u89 h SER 853 Cb 0.34 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1u89 h SER 853 CO -0.00 0.70 0.32 0.03 -1.14 0.00 0.00 176.83 176.75 1u89 h ARG 854 N 0.41 0.63 -0.72 3.45 3.08 -0.83 -1.26 114.38 119.14 1u89 h ARG 854 Ca 0.10 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.21 1u89 h ARG 854 Cb 0.39 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1u89 h ARG 854 CO 0.01 0.42 0.36 0.87 -1.07 0.00 0.00 179.97 180.56 1u89 h LYS 855 N 0.65 0.58 0.01 0.04 6.56 -0.35 0.67 116.57 124.73 1u89 h LYS 855 Ca 0.20 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1u89 h LYS 855 Cb -0.01 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.52 1u89 h LYS 855 CO -0.08 0.39 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.63 1u89 h LEU 856 N 0.60 -0.01 -0.57 2.94 3.38 0.26 0.23 115.31 122.14 1u89 h LEU 856 Ca 0.36 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1u89 h LEU 856 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1u89 h LEU 856 CO -0.27 0.04 -0.29 -0.07 0.09 0.00 0.00 178.44 177.93 1u89 h LEU 857 N -0.05 0.00 -0.18 1.67 3.38 -1.05 -0.21 115.31 118.87 1u89 h LEU 857 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1u89 h LEU 857 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1u89 h LEU 857 CO 0.00 0.29 -0.09 0.28 0.09 0.00 0.00 178.44 179.02 1u89 h SER 858 N 0.00 0.39 -0.59 -0.43 0.02 -0.53 -1.27 113.55 111.15 1u89 h SER 858 Ca -0.00 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1u89 h SER 858 Cb 1.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 1u89 h SER 858 CO 0.04 0.72 0.19 0.00 -1.14 0.00 0.00 176.83 176.64 1u89 h ALA 859 N 0.69 0.77 -0.62 3.77 0.00 -0.68 -2.03 119.26 121.15 1u89 h ALA 859 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 859 Cb 0.57 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1u89 h ALA 859 CO 0.03 0.43 0.36 0.00 0.00 0.00 0.00 179.25 180.06 1u89 h ALA 860 N 1.06 1.47 -0.68 0.00 0.00 -1.04 -0.68 119.26 119.38 1u89 h ALA 860 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1u89 h ALA 860 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1u89 h ALA 860 CO -0.01 0.46 0.34 0.87 0.00 0.00 0.00 179.25 180.91 1u89 h LYS 861 N 0.86 0.97 -0.62 0.00 1.57 -0.70 -1.84 116.57 116.80 1u89 h LYS 861 Ca 0.22 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1u89 h LYS 861 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1u89 h LYS 861 CO -0.04 0.75 0.29 0.82 -0.57 0.00 0.00 179.45 180.70 1u89 h ILE 862 N 0.94 1.22 -0.33 1.86 2.04 -0.66 -0.48 117.51 122.11 1u89 h ILE 862 Ca 0.23 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1u89 h ILE 862 Cb 0.09 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1u89 h ILE 862 CO -0.03 0.26 -0.10 -0.07 0.00 0.00 0.00 178.15 178.21 1u89 h LEU 863 N 0.85 -0.35 -0.25 1.44 -0.00 -0.68 0.25 115.31 116.57 1u89 h LEU 863 Ca 0.21 0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 58.15 1u89 h LEU 863 Cb 0.14 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1u89 h LEU 863 CO -0.02 -0.13 -0.03 0.00 -0.00 0.00 0.00 178.44 178.26 1u89 h ALA 864 N 1.29 0.33 -0.28 1.53 0.00 -1.12 -2.01 119.26 119.01 1u89 h ALA 864 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 864 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u89 h ALA 864 CO -0.35 0.10 0.12 0.22 0.00 0.00 0.00 179.25 179.34 1u89 h ASP 865 N 0.21 0.37 -0.47 0.00 3.58 -0.74 -1.56 116.42 117.82 1u89 h ASP 865 Ca 0.07 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 1u89 h ASP 865 Cb 0.47 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1u89 h ASP 865 CO 0.02 0.42 0.20 0.00 -2.88 0.00 0.00 179.24 177.00 1u89 h ALA 866 N 0.97 1.38 -0.50 -0.78 0.00 -0.53 -0.20 119.26 119.60 1u89 h ALA 866 Ca 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 866 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u89 h ALA 866 CO -0.01 0.47 -0.15 1.15 0.00 0.00 0.00 179.25 180.71 1u89 h THR 867 N 0.74 1.27 -0.57 0.00 2.02 -1.01 0.22 112.91 115.57 1u89 h THR 867 Ca 0.18 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 1u89 h THR 867 Cb 0.16 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1u89 h THR 867 CO -0.02 0.45 0.16 0.00 0.37 0.00 0.00 175.52 176.49 1u89 h ALA 868 N 0.96 0.75 -0.69 6.16 0.00 -0.73 0.78 119.26 126.49 1u89 h ALA 868 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 868 Cb 0.71 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 868 CO 0.05 0.43 0.43 0.87 0.00 0.00 0.00 179.25 181.03 1u89 h LYS 869 N 0.81 0.80 -0.08 0.00 1.57 -0.70 0.19 116.57 119.15 1u89 h LYS 869 Ca 0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u89 h LYS 869 Cb 0.31 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1u89 h LYS 869 CO -0.00 0.53 0.03 1.98 -0.57 0.00 0.00 179.45 181.42 1u89 h MET 870 N 0.83 0.12 -0.60 3.15 4.05 -0.12 0.18 114.93 122.53 1u89 h MET 870 Ca 0.28 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.62 1u89 h MET 870 Cb 0.05 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1u89 h MET 870 CO -0.12 0.25 0.14 -0.24 0.23 0.00 0.00 176.91 177.17 1u89 h VAL 871 N -0.04 1.24 -0.37 -5.77 3.04 -0.61 0.91 116.25 114.66 1u89 h VAL 871 Ca 0.03 -0.88 -0.12 0.00 -1.01 0.00 0.00 66.70 64.71 1u89 h VAL 871 Cb 0.18 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1u89 h VAL 871 CO -0.00 0.33 -0.24 -0.08 -1.01 0.00 0.00 177.57 176.57 1u89 h GLU 872 N 0.90 0.81 -0.25 4.17 4.81 -0.44 -1.59 114.58 122.99 1u89 h GLU 872 Ca 0.19 -0.38 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1u89 h GLU 872 Cb 0.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1u89 h GLU 872 CO 0.00 1.02 -0.11 0.00 -0.73 0.00 0.00 179.01 179.18 1u89 h ALA 873 N 0.78 0.36 -0.62 2.92 0.00 -0.38 -0.38 119.26 121.93 1u89 h ALA 873 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 873 Cb 0.81 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1u89 h ALA 873 CO 0.07 0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.89 1u89 h ALA 874 N 0.74 0.80 0.00 0.00 0.00 -0.80 -0.49 119.26 119.50 1u89 h ALA 874 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 874 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 874 CO 0.03 0.28 -0.49 0.87 0.00 0.00 0.00 179.25 179.95 1u89 h LYS 875 N 0.84 0.00 0.00 0.00 1.57 -1.26 -2.92 116.57 114.81 1u89 h LYS 875 Ca 0.22 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 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 -0.04 0.49 -0.39 0.78 -0.57 0.00 0.00 179.45 179.72 1u89 h GLY 876 N 1.89 0.00 -0.04 3.86 0.00 -0.33 -2.95 103.07 105.50 1u89 h GLY 876 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u89 h GLY 876 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1u89 n ALA 877 N -2.24 2.60 -2.51 3.60 0.00 -0.26 -4.65 120.51 117.05 1u89 n ALA 877 Ca 0.01 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 1u89 n ALA 877 Cb 0.60 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 878 N -1.96 2.94 -0.40 0.00 0.00 -1.12 -4.85 121.76 116.37 1u89 s ALA 878 Ca 0.38 -2.59 -0.28 0.00 0.00 0.00 0.00 51.96 49.47 1u89 s ALA 878 Cb 0.20 -4.61 -0.01 0.00 0.00 0.00 0.00 23.12 18.70 1u89 s ALA 878 CO 0.32 -3.62 1.66 0.00 0.00 0.00 0.00 175.76 174.12 1u89 s ALA 879 N 5.26 2.83 -0.47 0.00 0.00 -1.26 -4.92 121.76 123.21 1u89 s ALA 879 Ca 0.53 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1u89 s ALA 879 Cb 0.02 -4.03 0.17 0.00 0.00 0.00 0.00 23.12 19.27 1u89 s ALA 879 CO 0.02 -2.73 0.36 -1.01 0.00 0.00 0.00 175.76 172.40 1u89 s HIS 880 N 6.65 1.59 -0.26 0.00 4.02 -1.26 -4.98 115.29 121.04 1u89 s HIS 880 Ca 0.71 -2.49 -0.01 0.00 1.02 0.00 0.00 55.06 54.30 1u89 s HIS 880 Cb -0.18 -1.31 0.19 0.00 -1.02 0.00 0.00 32.58 30.27 1u89 s HIS 880 CO 0.31 -0.77 1.94 -0.35 1.02 0.00 0.00 174.74 176.89 1u89 n PRO 881 N 2.78 1.66 -0.23 8.40 -0.04 -1.26 -4.34 135.00 141.97 1u89 n PRO 881 Ca 0.26 -1.31 0.06 0.00 -0.04 0.00 0.00 63.50 62.47 1u89 n PRO 881 Cb 0.44 -1.51 0.18 0.00 -0.04 0.00 0.00 33.50 32.57 1u89 n PRO 881 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1u89 n ASP 882 N 0.45 2.26 -4.28 3.54 5.68 -1.26 -4.71 116.55 118.24 1u89 n ASP 882 Ca 0.25 -2.05 -0.41 0.00 -0.50 0.00 0.00 54.79 52.09 1u89 n ASP 882 Cb 0.61 -0.30 -0.01 0.00 -1.14 0.00 0.00 41.12 40.28 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1u89 n SER 883 N 0.64 4.22 0.25 -1.12 7.64 -1.26 -4.72 113.62 119.26 1u89 n SER 883 Ca 0.13 -2.85 -0.12 0.00 1.01 0.00 0.00 58.87 57.05 1u89 n SER 883 Cb 0.37 -1.68 -0.06 0.00 -1.01 0.00 0.00 64.21 61.84 1u89 n SER 883 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1u89 h GLU 884 N 7.45 -0.66 -2.68 1.43 4.22 -1.99 -3.47 114.58 118.88 1u89 h GLU 884 Ca 0.45 0.04 -0.39 0.00 0.08 0.00 0.00 59.36 59.54 1u89 h GLU 884 Cb 0.80 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1u89 h GLU 884 CO 1.58 -0.40 -0.47 0.39 -2.18 0.00 0.00 179.01 177.94 1u89 n GLU 885 N -5.24 -1.70 -0.06 1.92 4.71 -1.26 -4.79 120.64 114.22 1u89 n GLU 885 Ca -0.09 0.99 -0.06 0.00 -0.01 0.00 0.00 57.16 57.99 1u89 n GLU 885 Cb 0.29 -5.58 -0.08 0.00 -1.01 0.00 0.00 31.44 25.06 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 -2.83 1.80 -2.61 3.49 6.02 -1.26 -4.62 117.38 117.38 1u89 n GLN 886 Ca -0.22 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 1u89 n GLN 886 Cb 0.67 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.66 1u89 n GLN 886 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u89 n GLN 887 N -2.52 4.61 -0.08 -1.09 7.27 -1.26 -4.61 117.38 119.70 1u89 n GLN 887 Ca -0.19 -4.57 -0.10 0.00 0.07 0.00 0.00 57.00 52.21 1u89 n GLN 887 Cb 0.83 -2.39 -0.10 0.00 2.41 0.00 0.00 30.24 30.99 1u89 n GLN 887 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u89 n GLN 888 N -0.17 1.10 0.00 3.69 -0.00 -1.26 -5.14 117.38 115.59 1u89 n GLN 888 Ca 0.44 0.05 0.00 0.00 -0.00 0.00 0.00 57.00 57.49 1u89 n GLN 888 Cb 0.30 -1.37 0.00 0.00 -0.00 0.00 0.00 30.24 29.16 1u89 n GLN 888 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60