#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 s SER 752 N 0.00 4.09 -0.35 1.61 0.01 -1.26 -5.02 113.70 112.78 1u89 s SER 752 Ca 0.00 -0.25 0.15 0.00 1.31 0.00 0.00 55.95 57.16 1u89 s SER 752 Cb 0.00 -1.29 0.41 0.00 0.21 0.00 0.00 66.02 65.35 1u89 s SER 752 CO 0.00 0.25 0.86 0.00 0.41 0.00 0.00 173.24 174.76 1u89 n HIS 753 N 2.97 0.86 -3.25 2.43 -0.00 -1.26 -4.99 115.22 111.99 1u89 n HIS 753 Ca -0.18 -3.23 -0.17 0.00 -0.00 0.00 0.00 57.72 54.14 1u89 n HIS 753 Cb 0.52 -0.39 -0.07 0.00 -0.00 0.00 0.00 29.99 30.06 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 -2.86 0.81 0.00 -1.40 -2.45 -1.26 -5.07 119.30 107.08 1u89 s MET 754 Ca 0.33 -1.28 0.00 0.00 -1.25 0.00 0.00 55.69 53.49 1u89 s MET 754 Cb 0.41 -0.79 0.00 0.00 1.25 0.00 0.00 34.83 35.70 1u89 s MET 754 CO -0.02 -1.28 0.00 1.04 1.05 0.00 0.00 175.02 175.81 1u89 n GLN 755 N 3.55 2.45 -0.17 4.11 1.13 -1.26 -5.00 117.38 122.19 1u89 n GLN 755 Ca 0.18 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.14 1u89 n GLN 755 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1u89 n GLN 755 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u89 h ALA 756 N -1.01 0.69 -1.02 -1.58 0.00 -1.99 -3.27 119.26 111.08 1u89 h ALA 756 Ca 0.00 -0.36 -0.73 0.00 0.00 0.00 0.00 54.91 53.83 1u89 h ALA 756 Cb 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 17.48 1u89 h ALA 756 CO 0.00 0.62 2.01 0.00 0.00 0.00 0.00 179.25 181.88 1u89 n ALA 757 N -2.50 4.51 -0.21 0.00 0.00 -1.26 -4.72 120.51 116.34 1u89 n ALA 757 Ca 0.01 -4.13 -0.08 0.00 0.00 0.00 0.00 53.44 49.24 1u89 n ALA 757 Cb 0.41 -3.22 0.03 0.00 0.00 0.00 0.00 19.45 16.67 1u89 n ALA 757 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u89 h THR 758 N 4.46 1.24 -2.57 0.00 2.02 -1.85 -3.44 112.91 112.76 1u89 h THR 758 Ca 0.41 -0.78 -0.53 0.00 0.77 0.00 0.00 66.41 66.28 1u89 h THR 758 Cb 0.76 0.62 -0.14 0.00 -1.74 0.00 0.00 68.15 67.65 1u89 h THR 758 CO 1.50 0.30 -0.75 -1.61 0.37 0.00 0.00 175.52 175.33 1u89 s GLU 759 N -5.47 1.50 -0.04 6.66 0.41 -1.26 -4.97 118.70 115.53 1u89 s GLU 759 Ca -0.13 -1.67 0.03 0.00 -0.41 0.00 0.00 54.97 52.79 1u89 s GLU 759 Cb 0.13 -1.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 1u89 s GLU 759 CO 0.80 0.26 -0.13 0.34 -0.49 0.00 0.00 175.26 176.05 1u89 s ASP 760 N -3.38 1.72 0.00 -0.19 2.15 -1.26 -4.64 116.67 111.07 1u89 s ASP 760 Ca 0.26 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1u89 s ASP 760 Cb -0.03 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1u89 s ASP 760 CO 0.11 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 1u89 n GLY 761 N 3.42 0.06 0.36 2.66 0.00 -1.26 -4.91 105.19 105.52 1u89 n GLY 761 Ca -0.20 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 44.81 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u89 h GLN 762 N 0.00 0.98 -0.62 1.61 -0.00 -1.98 0.26 115.11 115.36 1u89 h GLN 762 Ca 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 1u89 h GLN 762 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 27.48 27.23 1u89 h GLN 762 CO 0.00 0.65 0.22 -0.07 0.00 0.00 0.00 178.83 179.63 1u89 h LEU 763 N 1.01 0.89 0.00 -2.39 -0.00 -1.95 -2.55 115.31 110.32 1u89 h LEU 763 Ca 0.49 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1u89 h LEU 763 Cb 0.46 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1u89 h LEU 763 CO -0.25 0.84 -0.47 0.25 -0.00 0.00 0.00 178.44 178.80 1u89 h LEU 764 N 0.88 0.00 -0.16 1.67 5.85 -1.63 -2.15 115.31 119.76 1u89 h LEU 764 Ca 0.20 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1u89 h LEU 764 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1u89 h LEU 764 CO -0.01 0.03 0.08 -0.09 -0.34 0.00 0.00 178.44 178.11 1u89 h ARG 765 N 0.00 0.24 0.00 1.25 1.12 -0.08 -2.51 114.38 114.39 1u89 h ARG 765 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1u89 h ARG 765 Cb 0.87 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.79 1u89 h ARG 765 CO 0.00 0.28 -0.42 0.41 -3.11 0.00 0.00 179.97 177.13 1u89 n GLY 766 N -0.80 -0.55 0.11 2.80 0.00 -1.11 -4.14 105.19 101.50 1u89 n GLY 766 Ca -0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.46 0.88 -0.25 1.61 2.07 -1.61 0.11 116.25 118.60 1u89 h VAL 767 Ca 0.00 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1u89 h VAL 767 Cb 0.42 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1u89 h VAL 767 CO 0.00 0.02 0.04 1.23 0.02 0.00 0.00 177.57 178.87 1u89 h GLY 768 N 0.09 0.27 0.86 2.17 0.00 -1.33 0.30 103.07 105.45 1u89 h GLY 768 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1u89 h GLY 768 CO -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 176.54 176.39 1u89 h ALA 769 N 1.19 0.35 -0.58 3.60 0.00 -1.15 -2.03 119.26 120.65 1u89 h ALA 769 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 769 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 769 CO -0.16 0.08 0.10 0.00 0.00 0.00 0.00 179.25 179.27 1u89 h ALA 770 N 0.83 0.76 -0.63 0.00 0.00 -0.56 -0.34 119.26 119.32 1u89 h ALA 770 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 770 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1u89 h ALA 770 CO 0.01 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.18 1u89 h ALA 771 N 1.01 0.80 -0.59 0.00 0.00 -0.35 -1.15 119.26 118.98 1u89 h ALA 771 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 771 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 771 CO 0.01 0.24 0.08 1.15 0.00 0.00 0.00 179.25 180.73 1u89 h THR 772 N 0.86 1.25 -0.61 0.00 2.02 -1.08 -1.17 112.91 114.18 1u89 h THR 772 Ca 0.23 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.44 1u89 h THR 772 Cb -0.09 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1u89 h THR 772 CO -0.05 0.36 0.39 0.00 0.37 0.00 0.00 175.52 176.59 1u89 h ALA 773 N 1.19 0.78 -0.23 6.16 0.00 -0.39 0.27 119.26 127.04 1u89 h ALA 773 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u89 h ALA 773 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1u89 h ALA 773 CO 0.01 0.17 0.06 0.28 0.00 0.00 0.00 179.25 179.77 1u89 h VAL 774 N 0.79 1.20 -0.94 0.00 2.07 -0.96 0.20 116.25 118.62 1u89 h VAL 774 Ca 0.23 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1u89 h VAL 774 Cb -0.05 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1u89 h VAL 774 CO -0.07 0.21 0.61 0.74 0.02 0.00 0.00 177.57 179.07 1u89 h THR 775 N 0.19 1.14 -0.14 2.57 2.02 -0.80 0.18 112.91 118.07 1u89 h THR 775 Ca 0.07 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1u89 h THR 775 Cb 0.26 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1u89 h THR 775 CO -0.00 0.21 -0.30 1.56 0.37 0.00 0.00 175.52 177.36 1u89 h GLN 776 N 1.16 0.46 -0.96 6.66 7.50 -0.26 -1.06 115.11 128.60 1u89 h GLN 776 Ca 0.38 -0.30 0.01 0.00 0.50 0.00 0.00 58.65 59.24 1u89 h GLN 776 Cb 0.04 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.56 1u89 h GLN 776 CO -0.13 0.91 0.63 0.00 -1.50 0.00 0.00 178.83 178.74 1u89 h ALA 777 N 0.55 1.22 -0.12 3.87 0.00 -0.25 0.40 119.26 124.93 1u89 h ALA 777 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 777 Cb 0.90 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1u89 h ALA 777 CO 0.07 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.22 1u89 h LEU 778 N 1.30 0.18 -0.95 0.00 5.85 -0.61 0.22 115.31 121.31 1u89 h LEU 778 Ca 0.35 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1u89 h LEU 778 Cb -0.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1u89 h LEU 778 CO -0.08 0.34 0.62 0.78 -0.34 0.00 0.00 178.44 179.77 1u89 h ASN 779 N 0.01 1.09 0.45 1.25 2.35 -0.73 0.15 115.58 120.15 1u89 h ASN 779 Ca 0.04 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1u89 h ASN 779 Cb 0.23 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1u89 h ASN 779 CO -0.00 0.80 -0.28 -0.08 -1.65 0.00 0.00 177.43 176.22 1u89 h GLU 780 N 1.29 -0.67 -0.58 0.81 4.57 0.02 -2.74 114.58 117.28 1u89 h GLU 780 Ca 0.35 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1u89 h GLU 780 Cb -0.14 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1u89 h GLU 780 CO -0.07 -0.44 0.32 1.25 -1.18 0.00 0.00 179.01 178.88 1u89 h LEU 781 N -0.69 0.73 -0.01 1.64 5.85 -0.65 -2.40 115.31 119.77 1u89 h LEU 781 Ca -0.05 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1u89 h LEU 781 Cb 0.57 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1u89 h LEU 781 CO 0.05 0.61 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.30 1u89 h LEU 782 N 0.78 -1.17 -0.99 2.25 3.38 -0.63 0.33 115.31 119.25 1u89 h LEU 782 Ca 0.20 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1u89 h LEU 782 Cb 0.05 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1u89 h LEU 782 CO -0.03 -0.43 0.42 1.56 0.09 0.00 0.00 178.44 180.04 1u89 h GLN 783 N -0.54 1.13 -0.42 1.13 4.20 -1.43 -0.04 115.11 119.14 1u89 h GLN 783 Ca 0.05 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1u89 h GLN 783 Cb 0.62 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1u89 h GLN 783 CO -0.31 0.84 0.01 1.25 -0.67 0.00 0.00 178.83 179.95 1u89 h HIS 784 N 1.13 0.80 -0.14 2.96 2.76 -0.82 -2.54 115.15 119.30 1u89 h HIS 784 Ca 0.28 -0.13 -0.21 0.00 -2.20 0.00 0.00 60.37 58.10 1u89 h HIS 784 Cb 0.06 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 28.82 1u89 h HIS 784 CO 0.01 0.79 -0.76 0.28 -1.30 0.00 0.00 177.93 176.96 1u89 h VAL 785 N 0.57 1.30 0.00 5.26 2.07 -0.10 -3.11 116.25 122.25 1u89 h VAL 785 Ca 0.12 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1u89 h VAL 785 Cb 0.47 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1u89 h VAL 785 CO 0.02 0.63 0.00 0.11 0.02 0.00 0.00 177.57 178.35 1u89 h LYS 786 N 0.49 0.00 -0.27 1.57 1.57 -0.94 -1.05 116.57 117.94 1u89 h LYS 786 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1u89 h LYS 786 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1u89 h LYS 786 CO 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1u89 n ALA 787 N -1.91 2.44 -2.62 3.86 0.00 -0.96 -4.73 120.51 116.58 1u89 n ALA 787 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1u89 n ALA 787 Cb 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.42 0.00 -0.47 0.00 8.25 -0.40 -5.08 115.22 118.95 1u89 n HIS 788 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 1u89 n HIS 788 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 -3.00 -1.21 -3.05 -1.41 0.00 -1.23 -4.73 120.51 105.88 1u89 n ALA 789 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 53.44 53.39 1u89 n ALA 789 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1u89 n ALA 789 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u89 n THR 790 N -2.88 2.58 -3.60 0.00 -2.24 -1.26 -4.96 114.28 101.92 1u89 n THR 790 Ca -0.01 -5.40 -0.30 0.00 -2.27 0.00 0.00 64.05 56.07 1u89 n THR 790 Cb 0.22 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.98 1u89 n THR 790 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1u89 s GLY 791 N -3.16 2.07 0.24 3.38 0.00 -1.26 -4.99 107.32 103.60 1u89 s GLY 791 Ca 0.46 -0.60 0.13 0.00 0.00 0.00 0.00 44.72 44.72 1u89 s GLY 791 CO -0.11 -0.52 1.42 0.00 0.00 0.00 0.00 173.10 173.89 1u89 h ALA 792 N 2.40 0.61 -1.27 3.20 0.00 -1.98 -3.46 119.26 118.75 1u89 h ALA 792 Ca -0.47 -0.56 -0.44 0.00 0.00 0.00 0.00 54.91 53.44 1u89 h ALA 792 Cb 1.18 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1u89 h ALA 792 CO 0.70 0.77 -0.21 0.20 0.00 0.00 0.00 179.25 180.71 1u89 s GLY 793 N -4.52 1.89 -1.10 0.00 0.00 -1.26 -5.01 107.32 97.32 1u89 s GLY 793 Ca 0.03 -1.79 -0.22 0.00 0.00 0.00 0.00 44.72 42.74 1u89 s GLY 793 CO 0.76 -1.53 1.77 -4.14 0.00 0.00 0.00 173.10 169.96 1u89 s PRO 794 N -4.45 3.15 -1.53 2.90 0.02 -1.26 -3.47 135.00 130.35 1u89 s PRO 794 Ca 0.57 -1.14 0.00 0.00 0.02 0.00 0.00 61.00 60.45 1u89 s PRO 794 Cb -0.09 -5.30 0.00 0.00 0.02 0.00 0.00 34.50 29.13 1u89 s PRO 794 CO 0.35 -2.97 0.00 0.00 -0.33 0.00 0.00 177.00 174.05 1u89 n ALA 795 N 11.45 -0.24 -2.77 -1.55 0.00 -1.26 -4.93 120.51 121.21 1u89 n ALA 795 Ca 0.42 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.65 1u89 n ALA 795 Cb 0.48 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.80 1.85 0.00 0.00 0.00 -1.23 -4.78 107.32 100.37 1u89 s GLY 796 Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 44.72 41.86 1u89 s GLY 796 CO 0.00 2.33 0.00 0.54 0.00 0.00 0.00 173.10 175.97 1u89 n ARG 797 N 7.22 0.00 -2.74 2.90 3.00 -1.26 -4.51 116.66 121.27 1u89 n ARG 797 Ca 0.35 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 58.06 1u89 n ARG 797 Cb 0.47 -0.14 0.01 0.00 0.00 0.00 0.00 32.46 32.81 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 -1.78 1.35 -0.36 -1.55 4.01 -1.26 -4.93 117.16 112.64 1u89 n TYR 798 Ca 0.00 -3.06 0.02 0.00 -0.16 0.00 0.00 57.90 54.71 1u89 n TYR 798 Cb 0.00 -0.35 0.17 0.00 -0.31 0.00 0.00 39.34 38.85 1u89 n TYR 798 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1u89 h ASP 799 N 2.95 1.02 -0.34 7.72 5.19 -1.92 -1.47 116.42 129.56 1u89 h ASP 799 Ca -0.01 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1u89 h ASP 799 Cb 1.09 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1u89 h ASP 799 CO 0.55 0.65 -0.01 1.56 -3.12 0.00 0.00 179.24 178.87 1u89 h GLN 800 N 1.16 0.61 0.08 3.56 7.50 -1.99 -0.94 115.11 125.09 1u89 h GLN 800 Ca 0.43 -0.20 -0.00 0.00 0.50 0.00 0.00 58.65 59.37 1u89 h GLN 800 Cb 0.17 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1u89 h GLN 800 CO -0.18 0.74 -0.04 0.00 -1.50 0.00 0.00 178.83 177.86 1u89 h ALA 801 N 0.85 -0.10 -0.61 3.87 0.00 -1.77 -0.28 119.26 121.22 1u89 h ALA 801 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 801 Cb 0.47 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1u89 h ALA 801 CO 0.02 -0.53 0.24 1.79 0.00 0.00 0.00 179.25 180.77 1u89 h THR 802 N -0.17 1.23 -0.20 0.00 1.35 -1.27 -1.35 112.91 112.50 1u89 h THR 802 Ca -0.01 -0.74 0.01 0.00 -0.55 0.00 0.00 66.41 65.12 1u89 h THR 802 Cb 0.14 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1u89 h THR 802 CO 0.02 0.29 0.12 -0.78 -0.25 0.00 0.00 175.52 174.92 1u89 h ASP 803 N 0.85 0.21 -0.25 5.36 1.82 -1.05 -1.30 116.42 122.06 1u89 h ASP 803 Ca 0.20 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1u89 h ASP 803 Cb 0.22 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1u89 h ASP 803 CO -0.02 0.15 0.16 0.74 -1.61 0.00 0.00 179.24 178.67 1u89 h THR 804 N 0.26 1.07 0.19 2.25 2.02 -0.75 -0.34 112.91 117.60 1u89 h THR 804 Ca 0.08 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u89 h THR 804 Cb -0.02 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1u89 h THR 804 CO -0.03 0.07 -0.17 0.40 0.37 0.00 0.00 175.52 176.15 1u89 h ILE 805 N 0.33 0.62 -0.08 3.11 2.04 -1.10 0.71 117.51 123.14 1u89 h ILE 805 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1u89 h ILE 805 Cb -0.03 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1u89 h ILE 805 CO -0.02 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.87 1u89 h LEU 806 N -0.39 -0.59 -0.75 1.44 3.38 -1.07 0.28 115.31 117.62 1u89 h LEU 806 Ca -0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1u89 h LEU 806 Cb 0.36 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1u89 h LEU 806 CO -0.04 -0.25 0.46 0.74 0.09 0.00 0.00 178.44 179.45 1u89 h THR 807 N -0.27 1.06 -0.08 0.22 2.02 -0.86 0.32 112.91 115.33 1u89 h THR 807 Ca 0.08 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1u89 h THR 807 Cb 0.39 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1u89 h THR 807 CO -0.24 0.16 -0.04 0.58 0.37 0.00 0.00 175.52 176.35 1u89 h VAL 808 N 0.88 1.33 -0.64 3.16 2.07 -0.29 0.18 116.25 122.94 1u89 h VAL 808 Ca 0.32 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1u89 h VAL 808 Cb 0.09 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1u89 h VAL 808 CO -0.14 0.30 0.08 0.74 0.02 0.00 0.00 177.57 178.56 1u89 h THR 809 N -0.22 1.26 -0.04 2.57 2.02 -0.21 -1.41 112.91 116.88 1u89 h THR 809 Ca 0.02 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 1u89 h THR 809 Cb 0.49 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1u89 h THR 809 CO 0.01 0.39 -0.35 -0.08 0.37 0.00 0.00 175.52 175.87 1u89 h GLU 810 N 1.00 0.07 -0.32 6.66 4.22 -0.34 -2.40 114.58 123.48 1u89 h GLU 810 Ca 0.19 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.54 1u89 h GLU 810 Cb 0.47 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1u89 h GLU 810 CO 0.02 0.41 -0.06 -0.91 -2.18 0.00 0.00 179.01 176.29 1u89 h ASN 811 N 0.07 0.50 0.31 1.04 2.35 0.36 -2.59 115.58 117.62 1u89 h ASN 811 Ca 0.01 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1u89 h ASN 811 Cb 0.65 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1u89 h ASN 811 CO 0.05 0.61 -0.31 0.40 -1.65 0.00 0.00 177.43 176.53 1u89 h ILE 812 N 0.49 1.21 -0.70 2.81 2.04 -0.76 0.11 117.51 122.71 1u89 h ILE 812 Ca 0.10 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 1u89 h ILE 812 Cb 0.41 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1u89 h ILE 812 CO 0.02 0.30 0.18 -0.26 0.00 0.00 0.00 178.15 178.39 1u89 h PHE 813 N 0.00 1.15 0.00 1.37 0.04 -1.43 0.15 116.94 118.21 1u89 h PHE 813 Ca -0.00 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.51 1u89 h PHE 813 Cb 0.55 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1u89 h PHE 813 CO 0.00 0.93 -0.63 0.77 -0.60 0.00 0.00 178.31 178.77 1u89 h SER 814 N 1.05 0.00 0.02 2.17 0.02 -1.28 -3.20 113.55 112.32 1u89 h SER 814 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1u89 h SER 814 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1u89 h SER 814 CO -0.00 0.63 -0.09 -1.54 -1.14 0.00 0.00 176.83 174.70 1u89 n SER 815 N -3.40 1.95 -4.55 3.07 3.41 0.28 -4.87 113.62 109.51 1u89 n SER 815 Ca 0.01 -1.57 -0.37 0.00 -0.26 0.00 0.00 58.87 56.68 1u89 n SER 815 Cb 0.73 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1u89 n SER 815 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1u89 n MET 816 N 0.40 1.13 0.00 4.33 0.00 0.01 -0.40 117.12 122.60 1u89 n MET 816 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.91 1u89 n MET 816 Cb 0.44 -3.40 0.00 0.00 0.00 0.00 0.00 33.22 30.26 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 5.99 4.69 3.33 -5.12 0.00 -1.26 -4.96 105.19 107.86 1u89 n GLY 817 Ca 0.37 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1u89 n GLY 817 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u89 s ASP 818 N 0.00 7.02 0.55 1.61 2.15 0.47 -4.90 116.67 123.57 1u89 s ASP 818 Ca 0.00 -3.11 0.27 0.00 0.43 0.00 0.00 52.55 50.14 1u89 s ASP 818 Cb 0.00 -2.21 1.59 0.00 -0.30 0.00 0.00 42.92 42.00 1u89 s ASP 818 CO 0.00 -0.44 2.16 0.00 -0.17 0.00 0.00 175.17 176.72 1u89 h ALA 819 N 7.26 1.45 -0.54 3.66 0.00 -1.87 -0.33 119.26 128.89 1u89 h ALA 819 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1u89 h ALA 819 Cb 0.96 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1u89 h ALA 819 CO 0.87 0.08 0.28 0.78 0.00 0.00 0.00 179.25 181.26 1u89 h GLY 820 N 0.39 0.83 1.65 0.00 0.00 -1.92 0.28 103.07 104.30 1u89 h GLY 820 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1u89 h GLY 820 CO 0.01 0.38 -0.65 -2.09 0.00 0.00 0.00 176.54 174.19 1u89 h GLU 821 N 0.73 0.35 0.13 4.80 4.57 -1.53 -0.93 114.58 122.70 1u89 h GLU 821 Ca 0.19 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1u89 h GLU 821 Cb 0.09 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1u89 h GLU 821 CO -0.03 0.88 -0.06 0.52 -1.18 0.00 0.00 179.01 179.14 1u89 h MET 822 N 0.25 -0.17 -0.44 1.92 2.86 -0.63 0.43 114.93 119.16 1u89 h MET 822 Ca -0.01 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1u89 h MET 822 Cb 1.19 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1u89 h MET 822 CO 0.11 -0.11 -0.07 0.28 1.06 0.00 0.00 176.91 178.17 1u89 h VAL 823 N -0.17 1.25 0.13 -2.22 2.07 -0.46 0.25 116.25 117.10 1u89 h VAL 823 Ca -0.02 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1u89 h VAL 823 Cb 0.13 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1u89 h VAL 823 CO 0.03 0.38 -0.15 -0.09 0.02 0.00 0.00 177.57 177.76 1u89 h ARG 824 N 0.70 -0.30 -0.63 1.57 1.12 -0.78 0.61 114.38 116.66 1u89 h ARG 824 Ca 0.13 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.98 1u89 h ARG 824 Cb 0.54 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.54 1u89 h ARG 824 CO 0.03 -0.20 0.26 1.96 -3.11 0.00 0.00 179.97 178.91 1u89 h GLN 825 N -0.31 0.94 -0.85 0.20 1.08 0.09 -2.32 115.11 113.94 1u89 h GLN 825 Ca 0.01 -0.16 0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1u89 h GLN 825 Cb 0.31 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1u89 h GLN 825 CO -0.05 0.78 0.55 0.00 -0.95 0.00 0.00 178.83 179.16 1u89 h ALA 826 N 1.11 1.64 -0.62 3.87 0.00 -0.19 0.30 119.26 125.37 1u89 h ALA 826 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1u89 h ALA 826 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1u89 h ALA 826 CO -0.02 0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.70 1u89 h ARG 827 N 0.87 0.91 -0.56 0.00 3.08 -0.35 -0.04 114.38 118.29 1u89 h ARG 827 Ca 0.38 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1u89 h ARG 827 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1u89 h ARG 827 CO -0.15 0.76 -0.06 0.82 -1.07 0.00 0.00 179.97 180.27 1u89 h ILE 828 N 0.86 1.27 -0.25 2.04 2.04 -0.71 -2.13 117.51 120.63 1u89 h ILE 828 Ca 0.21 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1u89 h ILE 828 Cb 0.17 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1u89 h ILE 828 CO -0.02 0.43 0.03 0.25 0.00 0.00 0.00 178.15 178.84 1u89 h LEU 829 N 0.90 -0.02 -0.66 1.44 5.85 -0.15 0.28 115.31 122.96 1u89 h LEU 829 Ca 0.15 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1u89 h LEU 829 Cb 0.62 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1u89 h LEU 829 CO 0.04 0.02 0.36 0.00 -0.34 0.00 0.00 178.44 178.52 1u89 h ALA 830 N 1.19 0.88 -0.43 1.25 0.00 -0.81 0.30 119.26 121.65 1u89 h ALA 830 Ca 0.11 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1u89 h ALA 830 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u89 h ALA 830 CO -0.17 0.03 -0.20 0.37 0.00 0.00 0.00 179.25 179.28 1u89 h GLN 831 N 0.66 0.89 -0.30 0.00 5.75 -0.89 -1.96 115.11 119.26 1u89 h GLN 831 Ca 0.30 -0.39 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1u89 h GLN 831 Cb 0.19 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1u89 h GLN 831 CO -0.19 1.04 0.10 0.00 -2.65 0.00 0.00 178.83 177.14 1u89 h ALA 832 N 0.83 0.39 -0.21 3.38 0.00 0.22 -1.39 119.26 122.49 1u89 h ALA 832 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 832 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u89 h ALA 832 CO 0.06 0.01 -0.20 1.15 0.00 0.00 0.00 179.25 180.27 1u89 h THR 833 N 0.33 1.24 -0.68 0.00 2.02 -0.97 0.05 112.91 114.89 1u89 h THR 833 Ca 0.10 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1u89 h THR 833 Cb 0.22 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1u89 h THR 833 CO -0.01 0.34 0.43 0.28 0.37 0.00 0.00 175.52 176.94 1u89 h SER 834 N 0.33 0.73 -0.26 4.18 0.02 -0.94 0.17 113.55 117.79 1u89 h SER 834 Ca 0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1u89 h SER 834 Cb 0.55 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1u89 h SER 834 CO 0.04 0.51 0.06 -0.78 -1.14 0.00 0.00 176.83 175.51 1u89 h ASP 835 N 0.86 0.40 0.19 3.07 1.82 -0.64 -2.35 116.42 119.77 1u89 h ASP 835 Ca 0.27 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1u89 h ASP 835 Cb -0.02 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.88 1u89 h ASP 835 CO -0.09 0.54 -0.09 0.25 -1.61 0.00 0.00 179.24 178.24 1u89 h LEU 836 N 0.25 -0.21 -0.81 2.28 5.85 -0.56 0.17 115.31 122.28 1u89 h LEU 836 Ca 0.08 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1u89 h LEU 836 Cb 0.30 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1u89 h LEU 836 CO 0.00 -0.08 -0.08 0.58 -0.34 0.00 0.00 178.44 178.52 1u89 h VAL 837 N -0.34 1.26 -0.21 1.05 2.07 -0.72 -1.06 116.25 118.31 1u89 h VAL 837 Ca -0.03 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 1u89 h VAL 837 Cb 0.26 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1u89 h VAL 837 CO 0.04 0.39 -0.46 -1.13 0.02 0.00 0.00 177.57 176.43 1u89 h ASN 838 N 0.73 0.57 -0.45 0.57 -1.24 -1.35 0.10 115.58 114.51 1u89 h ASN 838 Ca 0.13 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1u89 h ASN 838 Cb 0.56 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1u89 h ASN 838 CO 0.03 0.95 0.26 0.00 -1.29 0.00 0.00 177.43 177.38 1u89 h ALA 839 N 1.07 0.58 -0.55 1.57 0.00 -0.37 -0.72 119.26 120.83 1u89 h ALA 839 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 839 Cb 0.97 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u89 h ALA 839 CO 0.09 0.10 0.04 0.82 0.00 0.00 0.00 179.25 180.29 1u89 h ILE 840 N 0.60 1.26 -0.14 0.00 2.04 -1.07 -1.88 117.51 118.33 1u89 h ILE 840 Ca 0.16 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1u89 h ILE 840 Cb 0.04 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1u89 h ILE 840 CO -0.03 0.38 -0.08 0.50 0.00 0.00 0.00 178.15 178.93 1u89 h LYS 841 N 0.83 -0.07 -0.42 2.37 3.64 -0.58 0.55 116.57 122.89 1u89 h LYS 841 Ca 0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1u89 h LYS 841 Cb 0.48 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1u89 h LYS 841 CO 0.02 -0.05 -0.00 0.00 -2.27 0.00 0.00 179.45 177.15 1u89 h ALA 842 N 1.05 1.22 -0.08 5.00 0.00 -1.08 -1.45 119.26 123.91 1u89 h ALA 842 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1u89 h ALA 842 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 842 CO -0.18 0.52 -0.09 0.22 0.00 0.00 0.00 179.25 179.71 1u89 h ASP 843 N 0.63 0.22 -0.62 0.00 1.82 -0.76 -3.21 116.42 114.51 1u89 h ASP 843 Ca 0.13 -0.50 -0.02 0.00 -0.39 0.00 0.00 57.03 56.25 1u89 h ASP 843 Cb 0.40 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1u89 h ASP 843 CO 0.02 0.68 0.32 0.00 -1.61 0.00 0.00 179.24 178.64 1u89 h ALA 844 N 0.55 1.35 0.00 -0.78 0.00 0.27 -1.07 119.26 119.59 1u89 h ALA 844 Ca 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 844 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 844 CO 0.02 0.51 -0.20 0.93 0.00 0.00 0.00 179.25 180.51 1u89 h GLU 845 N 0.90 0.00 -0.43 0.00 5.08 -1.31 -2.06 114.58 116.76 1u89 h GLU 845 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1u89 h GLU 845 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1u89 h GLU 845 CO -0.03 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1u89 n GLY 846 N -0.90 3.25 3.84 -3.84 0.00 -0.69 -4.99 105.19 101.87 1u89 n GLY 846 Ca -0.02 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.12 3.93 -0.07 1.61 2.56 -0.49 -5.01 118.70 119.11 1u89 s GLU 847 Ca 0.42 0.93 -0.24 0.00 0.00 0.00 0.00 54.97 56.09 1u89 s GLU 847 Cb 0.30 -2.14 -0.30 0.00 2.00 0.00 0.00 34.13 33.99 1u89 s GLU 847 CO 0.16 -0.27 0.85 0.77 -0.56 0.00 0.00 175.26 176.21 1u89 h SER 848 N 0.89 0.34 -2.34 -1.70 0.02 -1.90 -3.40 113.55 105.45 1u89 h SER 848 Ca -0.47 -0.96 -0.65 0.00 -0.84 0.00 0.00 61.79 58.86 1u89 h SER 848 Cb 1.18 -0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.46 1u89 h SER 848 CO 0.62 1.29 0.81 -0.62 -1.14 0.00 0.00 176.83 177.79 1u89 s ASP 849 N -6.77 6.44 0.00 3.07 2.15 -1.26 -4.86 116.67 115.45 1u89 s ASP 849 Ca -0.15 -1.57 0.13 0.00 0.43 0.00 0.00 52.55 51.39 1u89 s ASP 849 Cb -0.00 -2.43 0.56 0.00 -0.30 0.00 0.00 42.92 40.75 1u89 s ASP 849 CO 0.79 -1.27 1.39 0.18 -0.17 0.00 0.00 175.17 176.09 1u89 n LEU 850 N 7.29 0.00 0.09 -1.34 7.99 -1.26 -1.15 117.00 128.62 1u89 n LEU 850 Ca 0.15 0.46 -0.22 0.00 -0.01 0.00 0.00 56.01 56.39 1u89 n LEU 850 Cb 0.48 -0.46 -0.14 0.00 -0.11 0.00 0.00 43.42 43.19 1u89 n LEU 850 CO 0.58 -0.26 -0.05 -0.33 -1.51 0.00 0.00 177.39 175.81 1u89 h GLU 851 N 0.00 0.53 -0.34 3.23 3.07 -1.97 -3.28 114.58 115.83 1u89 h GLU 851 Ca 0.00 -0.76 -0.13 0.00 -0.50 0.00 0.00 59.36 57.97 1u89 h GLU 851 Cb 0.20 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1u89 h GLU 851 CO 0.00 1.34 -0.32 -0.97 -1.40 0.00 0.00 179.01 177.67 1u89 h ASN 852 N 0.09 0.76 -0.89 1.42 -1.24 -1.55 -2.81 115.58 111.37 1u89 h ASN 852 Ca -0.18 -0.31 0.04 0.00 0.71 0.00 0.00 56.30 56.55 1u89 h ASN 852 Cb 1.86 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 40.65 1u89 h ASN 852 CO 0.22 1.02 0.58 0.77 -1.29 0.00 0.00 177.43 178.73 1u89 h SER 853 N 0.62 0.95 -0.62 1.15 4.64 -1.58 0.27 113.55 118.98 1u89 h SER 853 Ca 0.07 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1u89 h SER 853 Cb 0.84 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1u89 h SER 853 CO 0.07 0.65 0.33 0.03 -0.87 0.00 0.00 176.83 177.05 1u89 h ARG 854 N 1.10 0.87 -0.69 4.77 2.47 -1.56 -1.01 114.38 120.34 1u89 h ARG 854 Ca 0.35 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 1u89 h ARG 854 Cb 0.03 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 1u89 h ARG 854 CO -0.11 0.67 0.34 0.87 0.56 0.00 0.00 179.97 182.29 1u89 h LYS 855 N 0.84 0.97 -0.11 0.04 1.57 -0.83 0.17 116.57 119.23 1u89 h LYS 855 Ca 0.22 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1u89 h LYS 855 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1u89 h LYS 855 CO -0.03 0.75 0.01 -0.07 -0.57 0.00 0.00 179.45 179.54 1u89 h LEU 856 N 0.97 -0.01 -0.81 2.94 3.38 0.11 -0.52 115.31 121.37 1u89 h LEU 856 Ca 0.24 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1u89 h LEU 856 Cb 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1u89 h LEU 856 CO -0.03 0.01 -0.56 -0.07 0.09 0.00 0.00 178.44 177.88 1u89 h LEU 857 N 0.06 0.11 -0.79 1.67 3.38 -0.73 0.44 115.31 119.44 1u89 h LEU 857 Ca 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1u89 h LEU 857 Cb 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1u89 h LEU 857 CO -0.07 0.65 0.22 0.28 0.09 0.00 0.00 178.44 179.61 1u89 h SER 858 N 0.07 1.05 -0.22 -0.43 0.02 -0.38 0.85 113.55 114.51 1u89 h SER 858 Ca -0.00 -0.20 -0.18 0.00 -0.84 0.00 0.00 61.79 60.56 1u89 h SER 858 Cb 1.02 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1u89 h SER 858 CO 0.08 0.98 -0.58 0.00 -1.14 0.00 0.00 176.83 176.17 1u89 h ALA 859 N 1.16 0.36 0.00 3.77 0.00 -0.70 -2.98 119.26 120.87 1u89 h ALA 859 Ca 0.23 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1u89 h ALA 859 Cb 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u89 h ALA 859 CO -0.01 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 1u89 h ALA 860 N 0.61 1.55 -0.70 0.00 0.00 -0.73 -1.53 119.26 118.46 1u89 h ALA 860 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 860 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1u89 h ALA 860 CO 0.13 0.16 0.33 -0.22 0.00 0.00 0.00 179.25 179.65 1u89 h LYS 861 N 0.00 1.01 -0.52 0.00 1.63 -0.67 -0.48 116.57 117.54 1u89 h LYS 861 Ca -0.00 -0.15 -0.10 0.00 -0.85 0.00 0.00 60.65 59.55 1u89 h LYS 861 Cb 0.27 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1u89 h LYS 861 CO 0.02 0.80 -0.06 0.82 -3.45 0.00 0.00 179.45 177.58 1u89 h ILE 862 N 0.97 1.27 -0.13 2.00 2.04 -1.26 -1.02 117.51 121.38 1u89 h ILE 862 Ca 0.24 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1u89 h ILE 862 Cb 0.13 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1u89 h ILE 862 CO -0.03 0.42 -0.26 -0.07 0.00 0.00 0.00 178.15 178.21 1u89 h LEU 863 N 0.82 -0.80 -0.25 1.44 -0.00 -0.86 0.21 115.31 115.86 1u89 h LEU 863 Ca 0.14 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 1u89 h LEU 863 Cb 0.61 0.35 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1u89 h LEU 863 CO 0.04 -0.31 0.08 0.00 -0.00 0.00 0.00 178.44 178.25 1u89 h ALA 864 N 0.60 0.33 -0.36 1.53 0.00 -1.00 -0.94 119.26 119.41 1u89 h ALA 864 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 864 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1u89 h ALA 864 CO -0.32 -0.04 0.17 0.22 0.00 0.00 0.00 179.25 179.29 1u89 h ASP 865 N 0.24 0.48 -0.73 0.00 3.58 -0.96 -0.12 116.42 118.92 1u89 h ASP 865 Ca 0.08 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1u89 h ASP 865 Cb 0.24 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1u89 h ASP 865 CO -0.00 0.47 0.38 0.00 -2.88 0.00 0.00 179.24 177.21 1u89 h ALA 866 N 1.03 1.27 -0.63 -0.78 0.00 -0.52 -0.48 119.26 119.15 1u89 h ALA 866 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1u89 h ALA 866 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u89 h ALA 866 CO -0.02 0.58 0.07 1.15 0.00 0.00 0.00 179.25 181.03 1u89 h THR 867 N 1.05 1.26 -0.28 0.00 2.02 -0.63 0.27 112.91 116.61 1u89 h THR 867 Ca 0.26 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1u89 h THR 867 Cb 0.06 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1u89 h THR 867 CO -0.04 0.39 0.10 0.00 0.37 0.00 0.00 175.52 176.35 1u89 h ALA 868 N 1.08 0.36 -0.68 6.16 0.00 -0.43 0.28 119.26 126.03 1u89 h ALA 868 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1u89 h ALA 868 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1u89 h ALA 868 CO 0.02 -0.03 0.43 0.87 0.00 0.00 0.00 179.25 180.54 1u89 h LYS 869 N 0.29 0.84 0.20 0.00 6.56 -0.83 0.26 116.57 123.90 1u89 h LYS 869 Ca 0.09 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1u89 h LYS 869 Cb 0.20 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1u89 h LYS 869 CO -0.01 0.56 -0.10 1.98 -2.06 0.00 0.00 179.45 179.82 1u89 h MET 870 N 0.87 -0.26 -0.68 3.15 4.05 -0.14 0.27 114.93 122.19 1u89 h MET 870 Ca 0.26 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1u89 h MET 870 Cb -0.04 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1u89 h MET 870 CO -0.08 -0.12 0.29 -0.24 0.23 0.00 0.00 176.91 176.99 1u89 h VAL 871 N -0.35 1.23 -0.02 -5.77 3.04 -0.22 -0.13 116.25 114.02 1u89 h VAL 871 Ca -0.03 -0.70 -0.19 0.00 -1.01 0.00 0.00 66.70 64.78 1u89 h VAL 871 Cb 0.27 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1u89 h VAL 871 CO 0.05 0.28 -0.81 -0.33 -1.01 0.00 0.00 177.57 175.75 1u89 h GLU 872 N 0.97 0.26 -0.20 4.17 4.39 -0.31 -0.78 114.58 123.09 1u89 h GLU 872 Ca 0.23 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1u89 h GLU 872 Cb 0.16 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1u89 h GLU 872 CO -0.02 0.94 -0.27 0.00 -1.16 0.00 0.00 179.01 178.50 1u89 h ALA 873 N 0.98 0.31 -0.37 3.43 0.00 -0.15 -0.88 119.26 122.58 1u89 h ALA 873 Ca -0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1u89 h ALA 873 Cb 1.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1u89 h ALA 873 CO 0.13 0.30 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 1u89 h ALA 874 N 0.63 1.29 -0.30 0.00 0.00 -0.98 0.83 119.26 120.73 1u89 h ALA 874 Ca 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1u89 h ALA 874 Cb 0.84 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u89 h ALA 874 CO 0.06 0.48 -0.28 0.87 0.00 0.00 0.00 179.25 180.38 1u89 h LYS 875 N 0.55 0.72 -0.51 0.00 1.57 -1.08 -2.92 116.57 114.91 1u89 h LYS 875 Ca 0.11 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1u89 h LYS 875 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1u89 h LYS 875 CO 0.01 0.99 -0.01 0.78 -0.57 0.00 0.00 179.45 180.66 1u89 h GLY 876 N 0.48 0.98 -3.32 3.86 0.00 -0.78 -2.87 103.07 101.42 1u89 h GLY 876 Ca 0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 47.33 46.34 1u89 h GLY 876 CO 0.07 0.67 0.41 0.00 0.00 0.00 0.00 176.54 177.69 1u89 n ALA 877 N -2.45 4.76 -1.93 3.60 0.00 0.25 -4.71 120.51 120.02 1u89 n ALA 877 Ca 0.01 -1.66 -0.26 0.00 0.00 0.00 0.00 53.44 51.52 1u89 n ALA 877 Cb 0.33 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.85 3.04 0.26 0.00 0.00 -1.09 -4.78 121.76 117.34 1u89 s ALA 878 Ca 0.32 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1u89 s ALA 878 Cb 0.26 -2.59 0.30 0.00 0.00 0.00 0.00 23.12 21.09 1u89 s ALA 878 CO 0.02 -1.52 1.87 0.00 0.00 0.00 0.00 175.76 176.13 1u89 h ALA 879 N -0.78 1.22 -3.30 0.00 0.00 -1.89 -3.33 119.26 111.17 1u89 h ALA 879 Ca -0.44 -0.14 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 1u89 h ALA 879 Cb 1.30 -0.32 -0.37 0.00 0.00 0.00 0.00 17.79 18.40 1u89 h ALA 879 CO 0.55 0.61 -0.53 -1.01 0.00 0.00 0.00 179.25 178.87 1u89 s HIS 880 N -5.69 3.46 0.13 0.00 4.02 -1.26 -4.92 115.29 111.02 1u89 s HIS 880 Ca -0.12 -2.80 -0.12 0.00 1.02 0.00 0.00 55.06 53.04 1u89 s HIS 880 Cb 0.17 -3.07 -0.06 0.00 -1.02 0.00 0.00 32.58 28.60 1u89 s HIS 880 CO 0.82 -0.87 1.46 -1.35 1.02 0.00 0.00 174.74 175.82 1u89 h PRO 881 N 7.24 0.86 0.00 8.40 0.11 -1.85 -3.47 132.00 143.30 1u89 h PRO 881 Ca -0.06 -0.45 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u89 h PRO 881 Cb 0.97 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1u89 h PRO 881 CO 0.67 1.09 0.00 -0.25 -0.21 0.00 0.00 178.00 179.30 1u89 n ASP 882 N -4.14 0.00 -4.80 -2.05 9.92 -1.26 -4.79 116.55 109.44 1u89 n ASP 882 Ca -0.03 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.93 1u89 n ASP 882 Cb 0.51 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.06 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1u89 s SER 883 N -0.45 4.91 -1.56 -2.24 0.01 -1.26 -4.92 113.70 108.19 1u89 s SER 883 Ca 0.00 1.60 -0.11 0.00 1.31 0.00 0.00 55.95 58.75 1u89 s SER 883 Cb 0.00 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 1u89 s SER 883 CO 0.00 -1.74 2.73 -0.62 0.41 0.00 0.00 173.24 174.01 1u89 n GLU 884 N -3.32 3.41 -2.34 12.44 -0.58 -1.26 -4.94 120.64 124.05 1u89 n GLU 884 Ca 0.08 -2.31 -0.42 0.00 -0.42 0.00 0.00 57.16 54.09 1u89 n GLU 884 Cb 0.54 -2.94 -0.03 0.00 -0.57 0.00 0.00 31.44 28.44 1u89 n GLU 884 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1u89 s GLU 885 N 2.52 4.29 -0.30 3.49 -6.30 -1.26 -4.90 118.70 116.23 1u89 s GLU 885 Ca 0.62 1.80 0.13 0.00 -2.50 0.00 0.00 54.97 55.03 1u89 s GLU 885 Cb 0.17 -3.65 0.47 0.00 0.00 0.00 0.00 34.13 31.12 1u89 s GLU 885 CO -0.07 -0.59 1.14 0.94 0.02 0.00 0.00 175.26 176.70 1u89 n GLN 886 N 5.77 2.79 -3.03 4.30 -0.06 -1.26 -4.93 117.38 120.96 1u89 n GLN 886 Ca 0.13 -3.92 -0.13 0.00 -2.00 0.00 0.00 57.00 51.08 1u89 n GLN 886 Cb 0.45 -1.98 0.06 0.00 -4.06 0.00 0.00 30.24 24.72 1u89 n GLN 886 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1u89 n GLN 887 N -0.60 -3.98 -3.25 3.69 -0.06 -1.26 -4.99 117.38 106.93 1u89 n GLN 887 Ca 0.29 0.67 -0.26 0.00 -2.00 0.00 0.00 57.00 55.69 1u89 n GLN 887 Cb 0.87 -5.04 -0.07 0.00 -4.06 0.00 0.00 30.24 21.94 1u89 n GLN 887 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1u89 n GLN 888 N -3.23 2.34 0.00 3.69 3.00 -1.26 -5.20 117.38 116.71 1u89 n GLN 888 Ca -0.17 -4.42 0.02 0.00 -0.01 0.00 0.00 57.00 52.42 1u89 n GLN 888 Cb 0.62 -2.06 0.02 0.00 0.00 0.00 0.00 30.24 28.81 1u89 n GLN 888 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60