#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 -4.98 113.62 112.40 1u89 n SER 752 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u89 n SER 752 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.31 0.00 0.27 7.33 -0.00 -1.26 -4.77 115.22 114.48 1u89 n HIS 753 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.89 1u89 n HIS 753 Cb 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 29.99 30.63 1u89 n HIS 753 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 1u89 h MET 754 N 0.00 0.00 -6.03 1.57 1.85 -2.05 -3.42 114.93 106.85 1u89 h MET 754 Ca 0.00 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.56 1u89 h MET 754 Cb 0.47 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1u89 h MET 754 CO 0.00 0.01 1.38 -1.14 -0.40 0.00 0.00 176.91 176.76 1u89 s GLN 755 N -3.64 2.83 0.39 0.39 -0.44 -1.26 -4.25 119.66 113.68 1u89 s GLN 755 Ca 0.01 1.10 0.00 0.00 -2.50 0.00 0.00 55.36 53.98 1u89 s GLN 755 Cb 0.09 -4.35 0.00 0.00 -1.64 0.00 0.00 33.01 27.11 1u89 s GLN 755 CO 0.56 -2.46 0.00 0.00 0.50 0.00 0.00 175.29 173.88 1u89 n ALA 756 N 12.28 0.00 -2.41 1.58 0.00 -1.26 -4.92 120.51 125.79 1u89 n ALA 756 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1u89 n ALA 756 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.31 3.93 -0.69 0.00 0.00 -1.26 -4.86 120.51 114.32 1u89 n ALA 757 Ca 0.00 -3.35 -0.19 0.00 0.00 0.00 0.00 53.44 49.91 1u89 n ALA 757 Cb 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 19.45 18.96 1u89 n ALA 757 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u89 n THR 758 N -0.64 2.70 -2.39 0.00 -2.24 -1.26 -4.94 114.28 105.51 1u89 n THR 758 Ca 0.27 -1.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.05 1u89 n THR 758 Cb 0.88 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1u89 n THR 758 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1u89 s GLU 759 N -2.30 4.52 -0.12 -0.78 8.01 -1.26 -4.93 118.70 121.84 1u89 s GLU 759 Ca 0.39 1.87 -0.29 0.00 0.01 0.00 0.00 54.97 56.95 1u89 s GLU 759 Cb 0.32 -3.22 -0.05 0.00 -4.31 0.00 0.00 34.13 26.87 1u89 s GLU 759 CO 0.04 -0.01 1.78 0.34 0.01 0.00 0.00 175.26 177.42 1u89 s ASP 760 N -0.15 6.35 -0.39 -0.19 -1.08 -1.26 -4.91 116.67 115.04 1u89 s ASP 760 Ca 0.50 2.07 0.08 0.00 -0.52 0.00 0.00 52.55 54.68 1u89 s ASP 760 Cb -0.33 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 38.86 1u89 s ASP 760 CO 0.38 -1.21 0.55 0.61 0.52 0.00 0.00 175.17 176.02 1u89 n GLY 761 N 4.63 2.86 0.20 2.66 0.00 -1.26 -4.93 105.19 109.35 1u89 n GLY 761 Ca 0.20 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.73 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 3.90 0.00 -0.46 1.61 7.50 -1.91 -0.98 115.11 124.78 1u89 h GLN 762 Ca 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 1u89 h GLN 762 Cb 0.89 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.40 1u89 h GLN 762 CO 0.46 0.34 0.18 1.25 -1.50 0.00 0.00 178.83 179.56 1u89 h LEU 763 N 0.00 0.59 0.00 1.46 7.12 -1.92 -1.33 115.31 121.24 1u89 h LEU 763 Ca -0.00 -0.07 -0.13 0.00 0.13 0.00 0.00 57.88 57.81 1u89 h LEU 763 Cb 0.67 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 1u89 h LEU 763 CO 0.04 0.54 -0.67 -0.07 -0.13 0.00 0.00 178.44 178.15 1u89 h LEU 764 N 0.65 0.00 -0.45 2.25 3.38 -1.71 -0.48 115.31 118.96 1u89 h LEU 764 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1u89 h LEU 764 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1u89 h LEU 764 CO -0.02 0.59 0.11 0.03 0.09 0.00 0.00 178.44 179.25 1u89 h ARG 765 N 0.00 0.71 0.00 1.13 2.47 -0.33 -0.83 114.38 117.53 1u89 h ARG 765 Ca -0.02 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1u89 h ARG 765 Cb 1.47 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1u89 h ARG 765 CO 0.07 0.71 -0.11 0.78 0.56 0.00 0.00 179.97 181.98 1u89 h GLY 766 N 0.59 0.00 0.88 0.04 0.00 -1.32 -3.35 103.07 99.91 1u89 h GLY 766 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1u89 h GLY 766 CO 0.00 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.39 1u89 h VAL 767 N -0.31 1.28 0.36 4.60 2.07 -1.26 -2.11 116.25 120.89 1u89 h VAL 767 Ca 0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1u89 h VAL 767 Cb 0.11 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1u89 h VAL 767 CO 0.00 0.35 -0.25 1.23 0.02 0.00 0.00 177.57 178.92 1u89 h GLY 768 N 0.31 -0.62 0.94 2.17 0.00 -1.14 0.21 103.07 104.95 1u89 h GLY 768 Ca 0.07 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1u89 h GLY 768 CO 0.03 -0.24 0.55 0.00 0.00 0.00 0.00 176.54 176.88 1u89 h ALA 769 N 0.00 1.09 -0.35 3.60 0.00 -1.23 -0.16 119.26 122.21 1u89 h ALA 769 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 769 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u89 h ALA 769 CO 0.02 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.81 1u89 h ALA 770 N 1.33 0.45 -0.37 0.00 0.00 -1.08 -1.29 119.26 118.31 1u89 h ALA 770 Ca 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 770 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u89 h ALA 770 CO -0.09 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.26 1u89 h ALA 771 N 0.96 0.50 -0.46 0.00 0.00 -0.24 -2.71 119.26 117.31 1u89 h ALA 771 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 771 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1u89 h ALA 771 CO -0.01 0.25 0.19 1.15 0.00 0.00 0.00 179.25 180.84 1u89 h THR 772 N 0.47 1.17 -0.83 0.00 2.02 -0.95 -1.50 112.91 113.29 1u89 h THR 772 Ca 0.11 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1u89 h THR 772 Cb 0.43 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1u89 h THR 772 CO 0.01 0.20 0.55 0.00 0.37 0.00 0.00 175.52 176.65 1u89 h ALA 773 N 1.57 1.06 -0.30 6.16 0.00 -0.95 0.41 119.26 127.21 1u89 h ALA 773 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 773 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u89 h ALA 773 CO -0.02 0.44 0.10 0.28 0.00 0.00 0.00 179.25 180.05 1u89 h VAL 774 N 1.11 1.20 -0.57 0.00 2.07 -1.01 0.12 116.25 119.16 1u89 h VAL 774 Ca 0.31 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1u89 h VAL 774 Cb -0.10 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1u89 h VAL 774 CO -0.07 0.21 0.33 0.74 0.02 0.00 0.00 177.57 178.80 1u89 h THR 775 N 0.32 1.02 -0.07 2.57 2.02 -0.80 0.13 112.91 118.09 1u89 h THR 775 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1u89 h THR 775 Cb 0.23 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1u89 h THR 775 CO -0.00 0.12 -0.05 1.56 0.37 0.00 0.00 175.52 177.51 1u89 h GLN 776 N 0.64 0.16 -0.50 6.66 1.08 -0.78 -1.68 115.11 120.69 1u89 h GLN 776 Ca 0.24 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1u89 h GLN 776 Cb 0.08 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1u89 h GLN 776 CO -0.13 0.57 0.32 0.00 -0.95 0.00 0.00 178.83 178.64 1u89 h ALA 777 N 0.58 0.64 -0.16 3.87 0.00 -0.55 0.53 119.26 124.18 1u89 h ALA 777 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 777 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u89 h ALA 777 CO 0.01 0.04 0.09 1.25 0.00 0.00 0.00 179.25 180.64 1u89 h LEU 778 N 0.64 0.20 -1.36 0.00 5.85 -0.77 -0.80 115.31 119.07 1u89 h LEU 778 Ca 0.19 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1u89 h LEU 778 Cb -0.02 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1u89 h LEU 778 CO -0.07 0.22 -0.06 0.78 -0.34 0.00 0.00 178.44 178.97 1u89 h ASN 779 N 0.17 0.33 0.58 1.25 2.35 -0.98 -0.45 115.58 118.82 1u89 h ASN 779 Ca 0.06 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1u89 h ASN 779 Cb 0.06 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1u89 h ASN 779 CO -0.01 0.44 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.60 1u89 h GLU 780 N 0.34 -0.75 -0.88 0.81 4.39 -0.53 -3.24 114.58 114.72 1u89 h GLU 780 Ca 0.07 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1u89 h GLU 780 Cb 0.33 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1u89 h GLU 780 CO 0.01 -0.44 0.58 1.25 -1.16 0.00 0.00 179.01 179.25 1u89 h LEU 781 N -1.04 1.01 0.05 1.33 5.85 -0.95 -2.70 115.31 118.85 1u89 h LEU 781 Ca -0.08 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1u89 h LEU 781 Cb 0.66 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1u89 h LEU 781 CO 0.13 0.73 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.62 1u89 h LEU 782 N 1.19 -0.80 -0.76 2.25 3.38 -1.13 0.49 115.31 119.94 1u89 h LEU 782 Ca 0.32 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.30 1u89 h LEU 782 Cb -0.13 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1u89 h LEU 782 CO -0.07 -0.35 -0.08 1.56 0.09 0.00 0.00 178.44 179.58 1u89 h GLN 783 N -0.45 0.86 -0.32 1.13 1.08 -1.56 -2.27 115.11 113.58 1u89 h GLN 783 Ca 0.05 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 1u89 h GLN 783 Cb 0.51 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1u89 h GLN 783 CO -0.20 0.91 0.08 1.25 -0.95 0.00 0.00 178.83 179.91 1u89 h HIS 784 N 0.78 0.53 0.05 2.96 2.76 -1.06 -3.18 115.15 117.98 1u89 h HIS 784 Ca 0.13 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1u89 h HIS 784 Cb 0.59 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1u89 h HIS 784 CO 0.03 0.56 -0.02 0.28 -1.30 0.00 0.00 177.93 177.48 1u89 h VAL 785 N 0.35 1.22 0.00 5.26 2.07 0.07 -1.38 116.25 123.83 1u89 h VAL 785 Ca 0.10 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1u89 h VAL 785 Cb 0.30 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1u89 h VAL 785 CO 0.00 0.22 0.00 0.29 0.02 0.00 0.00 177.57 178.10 1u89 n LYS 786 N -4.93 0.09 0.00 1.57 5.02 -0.86 -1.66 118.16 117.38 1u89 n LYS 786 Ca -0.08 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1u89 n LYS 786 Cb 0.22 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1u89 n LYS 786 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u89 n ALA 787 N -1.65 1.92 -3.11 7.82 0.00 -1.20 -4.85 120.51 119.44 1u89 n ALA 787 Ca 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1u89 n ALA 787 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 0.39 -1.73 0.00 8.25 -0.52 -5.08 115.22 115.56 1u89 n HIS 788 Ca 0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 57.72 53.77 1u89 n HIS 788 Cb 0.00 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 0.22 0.00 -1.78 -1.41 0.00 -1.12 -4.71 120.51 111.72 1u89 n ALA 789 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1u89 n ALA 789 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 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 2.27 3.11 0.27 0.00 2.01 -1.26 -4.88 115.64 117.16 1u89 s THR 790 Ca 0.00 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1u89 s THR 790 Cb 0.00 -3.14 0.18 0.00 0.01 0.00 0.00 72.50 69.54 1u89 s THR 790 CO 0.00 -0.02 1.84 1.23 -0.69 0.00 0.00 174.62 176.99 1u89 h GLY 791 N 10.20 1.02 -1.91 4.40 0.00 -1.94 -1.17 103.07 113.67 1u89 h GLY 791 Ca -0.46 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1u89 h GLY 791 CO 0.94 0.51 0.00 0.00 0.00 0.00 0.00 176.54 177.99 1u89 n ALA 792 N -2.45 2.99 -2.29 3.60 0.00 -1.26 -4.87 120.51 116.23 1u89 n ALA 792 Ca 0.05 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1u89 n ALA 792 Cb 0.18 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.31 1.51 -0.06 0.00 0.00 -0.44 -5.03 107.32 102.99 1u89 s GLY 793 Ca 0.20 -1.75 0.06 0.00 0.00 0.00 0.00 44.72 43.23 1u89 s GLY 793 CO 0.06 -1.58 1.01 -1.55 0.00 0.00 0.00 173.10 171.04 1u89 n PRO 794 N -0.37 2.16 0.00 2.90 -0.04 -1.26 -4.77 135.00 133.61 1u89 n PRO 794 Ca -0.03 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1u89 n PRO 794 Cb 0.65 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.23 0.00 0.00 0.55 0.00 -1.26 -4.83 120.51 115.20 1u89 n ALA 795 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1u89 n ALA 795 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.47 2.79 0.00 0.00 -1.26 -4.85 105.19 102.33 1u89 n GLY 796 Ca 0.00 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.05 0.89 -0.00 1.61 3.00 -1.26 -4.95 118.95 118.19 1u89 s ARG 797 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 55.73 55.22 1u89 s ARG 797 Cb 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 34.95 32.79 1u89 s ARG 797 CO 0.00 -0.61 0.03 0.66 0.00 0.00 0.00 175.30 175.38 1u89 n TYR 798 N 4.97 0.00 -0.15 -0.53 4.02 -1.26 -4.75 117.16 119.46 1u89 n TYR 798 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.70 1u89 n TYR 798 Cb 0.47 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1u89 n TYR 798 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1u89 h ASP 799 N 0.00 0.60 -0.18 7.72 5.19 -1.98 0.19 116.42 127.96 1u89 h ASP 799 Ca 0.00 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 1u89 h ASP 799 Cb 0.02 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1u89 h ASP 799 CO 0.00 0.62 0.01 -0.61 -3.12 0.00 0.00 179.24 176.15 1u89 h GLN 800 N 0.55 0.30 -0.10 3.56 4.15 -1.99 0.54 115.11 122.12 1u89 h GLN 800 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1u89 h GLN 800 Cb 0.21 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1u89 h GLN 800 CO -0.01 0.49 0.07 0.00 -1.93 0.00 0.00 178.83 177.45 1u89 h ALA 801 N 0.80 0.13 -0.31 3.38 0.00 -1.80 -0.97 119.26 120.49 1u89 h ALA 801 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 801 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u89 h ALA 801 CO 0.01 -0.38 -0.15 1.79 0.00 0.00 0.00 179.25 180.52 1u89 h THR 802 N 0.14 1.24 -0.31 0.00 1.35 -0.60 -0.35 112.91 114.37 1u89 h THR 802 Ca 0.04 -1.11 0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1u89 h THR 802 Cb -0.01 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 1u89 h THR 802 CO -0.01 0.36 0.19 -0.78 -0.25 0.00 0.00 175.52 175.03 1u89 h ASP 803 N 0.50 0.31 -0.48 5.36 3.58 -0.58 0.27 116.42 125.37 1u89 h ASP 803 Ca 0.09 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1u89 h ASP 803 Cb 0.55 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1u89 h ASP 803 CO 0.04 0.22 0.32 0.74 -2.88 0.00 0.00 179.24 177.68 1u89 h THR 804 N 0.38 1.12 0.58 2.25 2.02 -0.63 0.48 112.91 119.11 1u89 h THR 804 Ca 0.12 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1u89 h THR 804 Cb -0.01 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1u89 h THR 804 CO -0.05 0.12 -0.28 0.40 0.37 0.00 0.00 175.52 176.08 1u89 h ILE 805 N 0.65 0.43 -0.74 3.11 2.04 -0.68 0.11 117.51 122.44 1u89 h ILE 805 Ca 0.18 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.08 1u89 h ILE 805 Cb -0.07 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1u89 h ILE 805 CO -0.04 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.46 1u89 h LEU 806 N -0.79 0.61 -1.05 1.44 3.38 -0.35 0.12 115.31 118.67 1u89 h LEU 806 Ca -0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1u89 h LEU 806 Cb 0.60 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1u89 h LEU 806 CO 0.13 0.38 0.34 0.74 0.09 0.00 0.00 178.44 180.12 1u89 h THR 807 N 0.74 1.23 -0.03 0.22 2.02 -0.77 0.34 112.91 116.65 1u89 h THR 807 Ca 0.34 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1u89 h THR 807 Cb 0.25 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1u89 h THR 807 CO -0.21 0.27 0.02 0.58 0.37 0.00 0.00 175.52 176.55 1u89 h VAL 808 N 1.01 1.09 -0.50 3.16 2.07 0.96 0.36 116.25 124.40 1u89 h VAL 808 Ca 0.25 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1u89 h VAL 808 Cb 0.10 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1u89 h VAL 808 CO -0.03 0.07 0.14 0.74 0.02 0.00 0.00 177.57 178.51 1u89 h THR 809 N -0.06 1.23 -0.67 2.57 2.02 -0.47 -0.66 112.91 116.88 1u89 h THR 809 Ca 0.01 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1u89 h THR 809 Cb 0.10 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1u89 h THR 809 CO -0.00 0.29 0.35 -0.08 0.37 0.00 0.00 175.52 176.45 1u89 h GLU 810 N 0.68 0.93 -0.14 6.66 4.81 -0.22 0.72 114.58 128.02 1u89 h GLU 810 Ca 0.16 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1u89 h GLU 810 Cb 0.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1u89 h GLU 810 CO -0.00 0.70 0.08 -0.91 -0.73 0.00 0.00 179.01 178.14 1u89 h ASN 811 N 0.94 0.17 -0.83 1.04 2.35 0.34 -0.62 115.58 118.97 1u89 h ASN 811 Ca 0.24 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1u89 h ASN 811 Cb 0.05 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1u89 h ASN 811 CO -0.04 0.19 0.46 0.40 -1.65 0.00 0.00 177.43 176.79 1u89 h ILE 812 N 0.13 1.24 -0.63 2.81 2.04 -0.56 0.45 117.51 123.00 1u89 h ILE 812 Ca 0.05 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1u89 h ILE 812 Cb 0.06 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1u89 h ILE 812 CO -0.01 0.27 0.41 -0.26 0.00 0.00 0.00 178.15 178.56 1u89 h PHE 813 N 1.15 0.77 -0.04 1.37 0.04 -0.63 -0.35 116.94 119.25 1u89 h PHE 813 Ca 0.29 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.86 1u89 h PHE 813 Cb 0.03 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.92 1u89 h PHE 813 CO 0.00 0.47 -0.87 0.77 -0.60 0.00 0.00 178.31 178.08 1u89 h SER 814 N 0.82 0.59 -0.56 2.17 0.02 -0.56 -3.22 113.55 112.82 1u89 h SER 814 Ca 0.24 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1u89 h SER 814 Cb -0.06 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 1u89 h SER 814 CO -0.07 1.22 0.11 -1.20 -1.14 0.00 0.00 176.83 175.75 1u89 n SER 815 N -3.80 4.77 -4.57 3.07 7.64 0.15 -4.91 113.62 115.96 1u89 n SER 815 Ca -0.06 -2.90 -0.40 0.00 1.01 0.00 0.00 58.87 56.52 1u89 n SER 815 Cb 0.79 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.55 2.76 0.00 1.43 0.00 -0.16 -1.40 119.30 119.37 1u89 s MET 816 Ca 0.47 1.26 0.00 0.00 0.00 0.00 0.00 55.69 57.42 1u89 s MET 816 Cb 0.36 -4.38 0.00 0.00 0.00 0.00 0.00 34.83 30.81 1u89 s MET 816 CO 0.13 -2.54 0.00 0.41 0.00 0.00 0.00 175.02 173.02 1u89 n GLY 817 N 5.71 1.26 0.14 2.11 0.00 -1.26 -4.95 105.19 108.20 1u89 n GLY 817 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1u89 n GLY 817 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1u89 h ASP 818 N 1.06 0.00 0.00 1.61 1.82 -1.63 -3.47 116.42 115.82 1u89 h ASP 818 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1u89 h ASP 818 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1u89 h ASP 818 CO 0.00 0.59 0.00 0.00 -1.61 0.00 0.00 179.24 178.22 1u89 n ALA 819 N -2.36 0.00 0.16 -0.78 0.00 -1.26 -4.42 120.51 111.85 1u89 n ALA 819 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1u89 n ALA 819 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 1u89 n ALA 819 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u89 h GLY 820 N 0.00 -0.38 1.55 0.00 0.00 -1.92 0.93 103.07 103.24 1u89 h GLY 820 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1u89 h GLY 820 CO 0.00 -0.15 0.29 -2.09 0.00 0.00 0.00 176.54 174.58 1u89 h GLU 821 N -0.38 0.60 0.14 4.80 4.57 -1.91 -0.23 114.58 122.17 1u89 h GLU 821 Ca -0.02 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1u89 h GLU 821 Cb 0.32 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1u89 h GLU 821 CO 0.02 0.41 -0.07 0.52 -1.18 0.00 0.00 179.01 178.71 1u89 h MET 822 N 0.62 -0.18 -0.76 1.92 2.86 -1.61 -1.43 114.93 116.36 1u89 h MET 822 Ca 0.17 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1u89 h MET 822 Cb -0.05 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1u89 h MET 822 CO -0.03 -0.03 0.35 0.28 1.06 0.00 0.00 176.91 178.54 1u89 h VAL 823 N -0.29 1.25 0.04 -2.22 2.07 -0.38 0.68 116.25 117.40 1u89 h VAL 823 Ca -0.02 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1u89 h VAL 823 Cb 0.23 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1u89 h VAL 823 CO 0.03 0.30 -0.24 -0.09 0.02 0.00 0.00 177.57 177.59 1u89 h ARG 824 N 1.08 -0.38 -0.72 1.57 1.12 -0.89 0.96 114.38 117.11 1u89 h ARG 824 Ca 0.26 0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 59.10 1u89 h ARG 824 Cb 0.14 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.16 1u89 h ARG 824 CO -0.03 -0.25 0.25 1.96 -3.11 0.00 0.00 179.97 178.78 1u89 h GLN 825 N -0.40 1.09 -0.42 0.20 1.08 -1.03 -2.14 115.11 113.50 1u89 h GLN 825 Ca 0.05 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1u89 h GLN 825 Cb 0.46 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1u89 h GLN 825 CO -0.18 0.91 0.28 0.00 -0.95 0.00 0.00 178.83 178.88 1u89 h ALA 826 N 1.21 1.70 -0.52 3.87 0.00 -0.30 0.29 119.26 125.52 1u89 h ALA 826 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1u89 h ALA 826 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1u89 h ALA 826 CO -0.01 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 1u89 h ARG 827 N 0.57 0.94 -0.22 0.00 -0.00 -0.18 -1.59 114.38 113.90 1u89 h ARG 827 Ca 0.15 -0.32 -0.13 0.00 -0.50 0.00 0.00 59.98 59.19 1u89 h ARG 827 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 29.82 1u89 h ARG 827 CO -0.03 0.97 -0.40 0.82 0.00 0.00 0.00 179.97 181.33 1u89 h ILE 828 N 0.80 1.30 -0.27 2.04 2.04 -0.85 -2.48 117.51 120.09 1u89 h ILE 828 Ca 0.14 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1u89 h ILE 828 Cb 0.58 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1u89 h ILE 828 CO 0.03 0.49 0.06 0.25 0.00 0.00 0.00 178.15 178.99 1u89 h LEU 829 N 0.42 0.04 -1.32 1.44 5.85 -0.22 0.27 115.31 121.80 1u89 h LEU 829 Ca 0.04 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1u89 h LEU 829 Cb 0.89 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1u89 h LEU 829 CO 0.08 0.05 0.48 0.00 -0.34 0.00 0.00 178.44 178.71 1u89 h ALA 830 N 1.19 1.57 0.23 1.25 0.00 -1.11 -0.35 119.26 122.04 1u89 h ALA 830 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 830 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u89 h ALA 830 CO -0.15 0.36 -0.11 0.37 0.00 0.00 0.00 179.25 179.72 1u89 h GLN 831 N 0.90 -0.30 -0.34 0.00 4.15 -0.88 -3.03 115.11 115.60 1u89 h GLN 831 Ca 0.29 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 1u89 h GLN 831 Cb 0.04 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1u89 h GLN 831 CO -0.08 0.07 0.13 0.00 -1.93 0.00 0.00 178.83 177.01 1u89 h ALA 832 N -0.19 0.44 -0.66 3.38 0.00 -0.24 -2.66 119.26 119.34 1u89 h ALA 832 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1u89 h ALA 832 Cb 0.50 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1u89 h ALA 832 CO 0.05 0.05 0.31 1.15 0.00 0.00 0.00 179.25 180.82 1u89 h THR 833 N 0.40 1.21 -0.57 0.00 2.02 -1.19 0.17 112.91 114.96 1u89 h THR 833 Ca 0.11 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1u89 h THR 833 Cb 0.20 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1u89 h THR 833 CO -0.01 0.25 0.20 0.28 0.37 0.00 0.00 175.52 176.61 1u89 h SER 834 N 0.93 0.77 -0.16 4.18 0.02 -1.36 0.26 113.55 118.19 1u89 h SER 834 Ca 0.23 -0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.86 1u89 h SER 834 Cb 0.10 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1u89 h SER 834 CO -0.03 0.71 -0.73 -0.78 -1.14 0.00 0.00 176.83 174.87 1u89 h ASP 835 N 0.82 0.91 0.20 3.07 1.82 -1.02 -2.45 116.42 119.77 1u89 h ASP 835 Ca 0.19 -0.62 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 1u89 h ASP 835 Cb 0.21 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1u89 h ASP 835 CO -0.01 1.39 -0.10 0.25 -1.61 0.00 0.00 179.24 179.16 1u89 h LEU 836 N 0.50 -0.23 -1.45 2.28 5.85 -0.17 -2.40 115.31 119.70 1u89 h LEU 836 Ca -0.05 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1u89 h LEU 836 Cb 1.36 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1u89 h LEU 836 CO 0.15 -0.14 0.06 0.58 -0.34 0.00 0.00 178.44 178.75 1u89 h VAL 837 N -0.29 1.15 -0.42 1.05 2.07 -0.56 -1.94 116.25 117.30 1u89 h VAL 837 Ca -0.03 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1u89 h VAL 837 Cb 0.22 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1u89 h VAL 837 CO 0.04 0.19 0.25 -1.13 0.02 0.00 0.00 177.57 176.94 1u89 h ASN 838 N 0.42 0.40 -0.71 0.57 -0.73 -1.15 0.14 115.58 114.53 1u89 h ASN 838 Ca 0.10 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 1u89 h ASN 838 Cb 0.18 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1u89 h ASN 838 CO -0.00 0.28 0.33 0.00 -0.37 0.00 0.00 177.43 177.67 1u89 h ALA 839 N 1.19 0.91 -0.36 1.57 0.00 -0.86 -1.37 119.26 120.33 1u89 h ALA 839 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 839 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1u89 h ALA 839 CO -0.08 0.49 0.03 0.82 0.00 0.00 0.00 179.25 180.51 1u89 h ILE 840 N 0.99 1.25 -0.64 0.00 2.04 -1.10 -1.24 117.51 118.82 1u89 h ILE 840 Ca 0.24 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1u89 h ILE 840 Cb 0.14 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1u89 h ILE 840 CO -0.03 0.31 0.42 0.11 0.00 0.00 0.00 178.15 178.96 1u89 h LYS 841 N 0.45 0.80 -0.03 2.37 1.57 -0.38 0.21 116.57 121.56 1u89 h LYS 841 Ca 0.11 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1u89 h LYS 841 Cb 0.42 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1u89 h LYS 841 CO 0.01 0.53 -0.36 0.00 -0.57 0.00 0.00 179.45 179.06 1u89 h ALA 842 N 1.61 0.09 -0.23 3.86 0.00 -1.07 -3.14 119.26 120.37 1u89 h ALA 842 Ca 0.24 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1u89 h ALA 842 Cb -0.04 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u89 h ALA 842 CO -0.06 0.19 -0.65 0.22 0.00 0.00 0.00 179.25 178.95 1u89 h ASP 843 N -0.25 0.97 -0.11 0.00 3.58 -0.89 -3.09 116.42 116.64 1u89 h ASP 843 Ca -0.04 -0.57 -0.03 0.00 0.42 0.00 0.00 57.03 56.81 1u89 h ASP 843 Cb 1.05 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1u89 h ASP 843 CO 0.07 1.38 -0.00 0.00 -2.88 0.00 0.00 179.24 177.81 1u89 h ALA 844 N 0.62 1.62 0.00 -0.78 0.00 -0.71 -0.11 119.26 119.91 1u89 h ALA 844 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 844 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1u89 h ALA 844 CO 0.14 0.29 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1u89 n GLU 845 N -4.36 0.24 -0.28 0.00 -0.58 -1.17 -2.24 120.64 112.24 1u89 n GLU 845 Ca 0.00 0.06 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1u89 n GLU 845 Cb 0.19 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.94 2.03 0.11 0.62 0.00 -0.06 -4.37 105.19 104.46 1u89 n GLY 846 Ca 0.10 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1u89 n GLY 846 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u89 h GLU 847 N 4.30 0.04 -0.79 1.61 4.39 -1.42 -3.44 114.58 119.27 1u89 h GLU 847 Ca 0.00 -0.07 -0.34 0.00 0.34 0.00 0.00 59.36 59.29 1u89 h GLU 847 Cb 0.97 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.51 1u89 h GLU 847 CO 0.00 1.03 -0.31 0.43 -1.16 0.00 0.00 179.01 179.01 1u89 n SER 848 N -4.29 -5.23 0.01 1.42 7.64 -1.26 -4.83 113.62 107.08 1u89 n SER 848 Ca -0.32 0.41 -0.02 0.00 1.01 0.00 0.00 58.87 59.95 1u89 n SER 848 Cb 0.74 -4.19 -0.10 0.00 -1.01 0.00 0.00 64.21 59.64 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 -0.93 0.79 0.00 6.43 2.03 -1.26 -4.97 116.55 118.63 1u89 n ASP 849 Ca -0.17 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1u89 n ASP 849 Cb 0.58 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1u89 n ASP 849 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u89 n LEU 850 N -2.90 0.00 0.00 -2.67 4.77 -1.26 -4.46 117.00 110.48 1u89 n LEU 850 Ca -0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1u89 n LEU 850 Cb 0.90 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 1u89 n LEU 850 CO 0.43 0.00 0.80 -0.08 -1.33 0.00 0.00 177.39 177.21 1u89 h GLU 851 N 0.00 0.07 -0.20 3.23 4.57 -1.99 0.37 114.58 120.63 1u89 h GLU 851 Ca 0.00 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 57.99 1u89 h GLU 851 Cb 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1u89 h GLU 851 CO 0.00 0.23 -0.59 -0.97 -1.18 0.00 0.00 179.01 176.50 1u89 h ASN 852 N -0.10 0.72 -0.33 1.04 -1.24 -1.98 -2.66 115.58 111.03 1u89 h ASN 852 Ca 0.02 -0.40 -0.04 0.00 0.71 0.00 0.00 56.30 56.59 1u89 h ASN 852 Cb 0.18 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1u89 h ASN 852 CO -0.00 1.15 0.07 0.77 -1.29 0.00 0.00 177.43 178.12 1u89 h SER 853 N 0.48 0.52 -0.47 1.15 4.64 -1.79 -0.18 113.55 117.91 1u89 h SER 853 Ca 0.00 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1u89 h SER 853 Cb 1.16 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1u89 h SER 853 CO 0.12 0.63 0.30 0.03 -0.87 0.00 0.00 176.83 177.04 1u89 h ARG 854 N 0.38 0.60 -0.97 4.77 3.08 -0.30 -0.12 114.38 121.82 1u89 h ARG 854 Ca 0.10 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1u89 h ARG 854 Cb 0.32 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 1u89 h ARG 854 CO 0.00 0.40 0.60 -0.22 -1.07 0.00 0.00 179.97 179.68 1u89 h LYS 855 N 0.62 0.93 0.00 0.04 1.63 -1.15 0.37 116.57 119.01 1u89 h LYS 855 Ca 0.17 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1u89 h LYS 855 Cb -0.06 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.36 1u89 h LYS 855 CO -0.05 0.62 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.50 1u89 h LEU 856 N 0.96 -0.00 -0.35 5.20 3.38 0.11 -1.92 115.31 122.68 1u89 h LEU 856 Ca 0.47 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1u89 h LEU 856 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1u89 h LEU 856 CO -0.26 0.29 -0.83 -0.07 0.09 0.00 0.00 178.44 177.66 1u89 h LEU 857 N -0.30 0.18 -0.58 1.67 3.38 -0.67 -1.52 115.31 117.47 1u89 h LEU 857 Ca -0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1u89 h LEU 857 Cb 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1u89 h LEU 857 CO 0.00 0.93 0.02 0.28 0.09 0.00 0.00 178.44 179.75 1u89 h SER 858 N 0.08 0.99 -0.67 -0.43 0.02 -0.27 0.14 113.55 113.40 1u89 h SER 858 Ca -0.03 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1u89 h SER 858 Cb 1.44 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1u89 h SER 858 CO 0.12 1.05 0.23 0.00 -1.14 0.00 0.00 176.83 177.09 1u89 h ALA 859 N 0.98 0.88 -0.38 3.77 0.00 -1.22 -1.65 119.26 121.65 1u89 h ALA 859 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 859 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u89 h ALA 859 CO 0.03 0.53 0.10 0.00 0.00 0.00 0.00 179.25 179.91 1u89 h ALA 860 N 1.10 1.48 -0.71 0.00 0.00 -0.94 -0.30 119.26 119.89 1u89 h ALA 860 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 860 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1u89 h ALA 860 CO -0.01 0.39 0.17 -0.22 0.00 0.00 0.00 179.25 179.57 1u89 h LYS 861 N 0.54 1.14 -0.66 0.00 3.64 -0.11 -1.10 116.57 120.02 1u89 h LYS 861 Ca 0.13 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1u89 h LYS 861 Cb 0.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1u89 h LYS 861 CO -0.01 1.01 0.11 0.82 -2.27 0.00 0.00 179.45 179.11 1u89 h ILE 862 N 1.08 1.26 -0.25 2.00 2.04 -0.53 0.10 117.51 123.22 1u89 h ILE 862 Ca 0.22 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1u89 h ILE 862 Cb 0.39 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1u89 h ILE 862 CO 0.00 0.39 -0.09 -0.07 0.00 0.00 0.00 178.15 178.39 1u89 h LEU 863 N 1.02 -0.30 -0.42 1.44 -0.00 -0.60 0.15 115.31 116.61 1u89 h LEU 863 Ca 0.20 0.08 -0.11 0.00 -0.00 0.00 0.00 57.88 58.05 1u89 h LEU 863 Cb 0.43 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1u89 h LEU 863 CO 0.01 -0.11 -0.18 0.00 -0.00 0.00 0.00 178.44 178.16 1u89 h ALA 864 N 1.20 0.59 0.00 1.53 0.00 -0.97 -1.75 119.26 119.85 1u89 h ALA 864 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 864 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u89 h ALA 864 CO -0.28 0.53 -0.01 0.22 0.00 0.00 0.00 179.25 179.72 1u89 h ASP 865 N 0.68 -0.03 -0.57 0.00 3.58 -0.45 -1.07 116.42 118.56 1u89 h ASP 865 Ca 0.10 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1u89 h ASP 865 Cb 0.74 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 1u89 h ASP 865 CO 0.06 -0.02 0.23 0.00 -2.88 0.00 0.00 179.24 176.63 1u89 h ALA 866 N 0.98 1.26 -0.63 -0.78 0.00 -0.69 -1.51 119.26 117.89 1u89 h ALA 866 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1u89 h ALA 866 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1u89 h ALA 866 CO -0.01 0.54 0.31 1.15 0.00 0.00 0.00 179.25 181.24 1u89 h THR 867 N 0.88 1.21 -0.66 0.00 2.02 -0.94 0.14 112.91 115.56 1u89 h THR 867 Ca 0.21 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1u89 h THR 867 Cb 0.19 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1u89 h THR 867 CO -0.02 0.24 0.27 0.00 0.37 0.00 0.00 175.52 176.39 1u89 h ALA 868 N 1.14 0.85 -0.83 6.16 0.00 -0.70 0.44 119.26 126.32 1u89 h ALA 868 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u89 h ALA 868 Cb 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1u89 h ALA 868 CO -0.03 0.46 0.49 0.87 0.00 0.00 0.00 179.25 181.04 1u89 h LYS 869 N 0.92 1.13 0.12 0.00 6.56 -0.85 0.16 116.57 124.62 1u89 h LYS 869 Ca 0.22 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.69 1u89 h LYS 869 Cb 0.19 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1u89 h LYS 869 CO -0.02 0.81 -0.06 0.52 -2.06 0.00 0.00 179.45 178.64 1u89 h MET 870 N 1.14 -0.16 -0.62 3.15 2.86 -0.15 0.55 114.93 121.71 1u89 h MET 870 Ca 0.30 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1u89 h MET 870 Cb -0.02 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1u89 h MET 870 CO -0.05 -0.00 0.17 -0.24 1.06 0.00 0.00 176.91 177.85 1u89 h VAL 871 N -0.28 1.24 -0.03 -2.22 3.04 -0.72 0.39 116.25 117.67 1u89 h VAL 871 Ca -0.02 -0.85 -0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1u89 h VAL 871 Cb 0.23 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1u89 h VAL 871 CO 0.03 0.32 0.00 -0.08 -1.01 0.00 0.00 177.57 176.83 1u89 h GLU 872 N 0.92 0.06 -0.34 4.17 4.57 -0.54 -1.61 114.58 121.82 1u89 h GLU 872 Ca 0.20 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1u89 h GLU 872 Cb 0.30 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1u89 h GLU 872 CO -0.00 0.35 -0.09 0.00 -1.18 0.00 0.00 179.01 178.08 1u89 h ALA 873 N 0.71 0.47 -0.34 2.92 0.00 -0.74 -1.38 119.26 120.89 1u89 h ALA 873 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 873 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 873 CO 0.00 0.32 0.15 0.00 0.00 0.00 0.00 179.25 179.72 1u89 h ALA 874 N 0.80 0.44 -0.02 0.00 0.00 -0.95 -2.00 119.26 117.54 1u89 h ALA 874 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 874 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1u89 h ALA 874 CO 0.04 0.02 -0.36 0.87 0.00 0.00 0.00 179.25 179.82 1u89 h LYS 875 N 0.41 0.04 0.00 0.00 1.57 -1.26 -2.52 116.57 114.80 1u89 h LYS 875 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1u89 h LYS 875 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1u89 h LYS 875 CO -0.01 0.40 -0.01 0.41 -0.57 0.00 0.00 179.45 179.67 1u89 n GLY 876 N -0.46 -1.54 0.69 3.86 0.00 -0.53 -2.89 105.19 104.32 1u89 n GLY 876 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1u89 n GLY 876 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 877 N -1.56 2.46 -2.12 4.61 0.00 -0.79 -0.68 120.51 122.42 1u89 n ALA 877 Ca 0.07 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 1u89 n ALA 877 Cb 0.36 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.36 3.27 0.00 0.00 0.00 -1.08 -4.11 121.76 118.48 1u89 s ALA 878 Ca 0.20 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1u89 s ALA 878 Cb 0.14 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1u89 s ALA 878 CO 0.21 -1.95 0.00 0.00 0.00 0.00 0.00 175.76 174.02 1u89 n ALA 879 N 8.45 0.00 -3.03 0.00 0.00 -1.26 -4.72 120.51 119.95 1u89 n ALA 879 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1u89 n ALA 879 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 2.59 -0.91 0.00 5.65 -1.26 -5.04 115.29 116.33 1u89 s HIS 880 Ca 0.00 -0.84 -0.22 0.00 0.25 0.00 0.00 55.06 54.25 1u89 s HIS 880 Cb 0.00 -1.70 -0.13 0.00 -1.18 0.00 0.00 32.58 29.56 1u89 s HIS 880 CO 0.00 -0.30 1.92 -2.30 -0.65 0.00 0.00 174.74 173.42 1u89 n PRO 881 N 3.32 1.55 -1.11 2.88 -0.02 -1.26 -4.12 135.00 136.24 1u89 n PRO 881 Ca -0.18 -2.07 -0.18 0.00 -2.02 0.00 0.00 63.50 59.05 1u89 n PRO 881 Cb 0.53 -3.19 0.21 0.00 -0.02 0.00 0.00 33.50 31.02 1u89 n PRO 881 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1u89 n ASP 882 N 9.77 4.02 -4.98 2.55 9.92 0.14 -4.93 116.55 133.04 1u89 n ASP 882 Ca 0.48 -3.42 -0.19 0.00 -0.53 0.00 0.00 54.79 51.13 1u89 n ASP 882 Cb 0.43 -0.80 0.04 0.00 -0.64 0.00 0.00 41.12 40.15 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1u89 s SER 883 N -1.11 5.26 -1.46 -2.24 1.04 -1.16 -4.97 113.70 109.06 1u89 s SER 883 Ca 0.54 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 1u89 s SER 883 Cb 0.45 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1u89 s SER 883 CO 0.11 -1.15 2.60 -0.62 0.98 0.00 0.00 173.24 175.16 1u89 n GLU 884 N -2.16 4.03 0.10 4.02 4.71 -1.26 -4.61 120.64 125.47 1u89 n GLU 884 Ca 0.12 -2.86 -0.03 0.00 -0.01 0.00 0.00 57.16 54.38 1u89 n GLU 884 Cb 0.60 -2.77 0.01 0.00 -1.01 0.00 0.00 31.44 28.27 1u89 n GLU 884 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1u89 h GLU 885 N 4.95 0.00 0.00 3.49 -0.00 -1.92 -3.34 114.58 117.76 1u89 h GLU 885 Ca 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 60.11 1u89 h GLU 885 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 1u89 h GLU 885 CO 1.65 0.79 -0.83 0.00 -0.00 0.00 0.00 179.01 180.63 1u89 n GLN 886 N -3.46 2.89 -1.41 1.06 10.64 -1.26 -4.77 117.38 121.06 1u89 n GLN 886 Ca -0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1u89 n GLN 886 Cb 0.80 -0.91 0.07 0.00 -0.86 0.00 0.00 30.24 29.34 1u89 n GLN 886 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1u89 n GLN 887 N -1.82 2.68 -0.03 2.61 1.13 -1.26 -4.36 117.38 116.33 1u89 n GLN 887 Ca 0.00 -3.28 0.13 0.00 -1.94 0.00 0.00 57.00 51.90 1u89 n GLN 887 Cb 0.41 -2.27 0.51 0.00 0.11 0.00 0.00 30.24 29.00 1u89 n GLN 887 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u89 n GLN 888 N -0.83 1.60 0.00 -1.09 10.64 -1.25 -4.95 117.38 121.49 1u89 n GLN 888 Ca 0.61 -0.88 0.00 0.00 -1.83 0.00 0.00 57.00 54.90 1u89 n GLN 888 Cb 0.59 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1u89 n GLN 888 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12