#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 5.55 -3.08 1.61 3.41 -1.26 -4.75 113.62 115.10 1u89 n SER 752 Ca 0.00 -2.53 -0.08 0.00 -0.26 0.00 0.00 58.87 56.00 1u89 n SER 752 Cb 0.00 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 62.84 1u89 n SER 752 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1u89 n HIS 753 N 1.31 -3.07 0.15 7.33 -0.00 -1.26 -4.91 115.22 114.77 1u89 n HIS 753 Ca 0.06 1.21 0.01 0.00 -0.00 0.00 0.00 57.72 59.01 1u89 n HIS 753 Cb 0.52 -3.80 0.32 0.00 -0.00 0.00 0.00 29.99 27.03 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 1.11 0.09 -5.37 1.57 4.05 -2.01 -3.35 114.93 111.00 1u89 h MET 754 Ca -0.10 -0.03 -0.64 0.00 -0.28 0.00 0.00 59.70 58.64 1u89 h MET 754 Cb 1.07 -0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.66 1u89 h MET 754 CO 0.26 0.44 -0.65 -1.14 0.23 0.00 0.00 176.91 176.05 1u89 s GLN 755 N -4.23 3.64 -1.28 0.39 2.00 -1.26 -4.58 119.66 114.33 1u89 s GLN 755 Ca -0.03 -0.49 -0.06 0.00 -2.00 0.00 0.00 55.36 52.78 1u89 s GLN 755 Cb 0.14 -2.94 0.01 0.00 0.80 0.00 0.00 33.01 31.02 1u89 s GLN 755 CO 0.74 0.30 1.11 0.00 -0.50 0.00 0.00 175.29 176.93 1u89 n ALA 756 N 3.38 -1.47 -1.81 1.58 0.00 -1.26 -4.98 120.51 115.96 1u89 n ALA 756 Ca -0.17 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 1u89 n ALA 756 Cb 0.53 -4.57 -0.05 0.00 0.00 0.00 0.00 19.45 15.35 1u89 n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 757 N -3.32 2.98 -0.35 0.00 0.00 -1.26 -4.96 121.76 114.86 1u89 s ALA 757 Ca 0.42 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1u89 s ALA 757 Cb -0.18 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1u89 s ALA 757 CO 0.71 -0.06 0.34 0.25 0.00 0.00 0.00 175.76 177.00 1u89 n THR 758 N -0.68 0.00 -1.29 0.00 -2.24 -1.26 -4.81 114.28 104.00 1u89 n THR 758 Ca 0.08 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 1u89 n THR 758 Cb 0.53 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 1u89 n THR 758 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1u89 n GLU 759 N -0.64 3.27 -4.46 -0.78 0.00 -1.26 -4.83 120.64 111.94 1u89 n GLU 759 Ca 0.02 -1.98 -0.33 0.00 0.00 0.00 0.00 57.16 54.86 1u89 n GLU 759 Cb 0.09 -2.54 -0.16 0.00 0.00 0.00 0.00 31.44 28.83 1u89 n GLU 759 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1u89 s ASP 760 N 1.90 3.50 0.00 -1.84 2.15 -1.26 -5.05 116.67 116.07 1u89 s ASP 760 Ca 0.67 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1u89 s ASP 760 Cb 0.23 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 1u89 s ASP 760 CO -0.05 0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1u89 n GLY 761 N 4.19 5.42 0.03 2.66 0.00 -1.26 -5.08 105.19 111.16 1u89 n GLY 761 Ca -0.19 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 1u89 n GLY 761 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u89 n GLN 762 N 0.00 2.19 0.41 1.61 7.27 -1.26 -4.27 117.38 123.33 1u89 n GLN 762 Ca 0.00 0.01 -0.19 0.00 0.07 0.00 0.00 57.00 56.90 1u89 n GLN 762 Cb 0.00 -1.16 -0.09 0.00 2.41 0.00 0.00 30.24 31.40 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1u89 h LEU 763 N 0.00 -0.87 0.16 1.69 -0.00 -1.96 -0.13 115.31 114.19 1u89 h LEU 763 Ca -0.17 0.03 -0.32 0.00 -0.00 0.00 0.00 57.88 57.41 1u89 h LEU 763 Cb 1.35 0.23 0.01 0.00 -0.00 0.00 0.00 40.66 42.24 1u89 h LEU 763 CO -0.00 -0.61 -1.55 -0.07 -0.00 0.00 0.00 178.44 176.21 1u89 h LEU 764 N -1.05 0.52 -0.14 1.67 3.38 -1.95 -2.51 115.31 115.22 1u89 h LEU 764 Ca -0.11 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.16 1u89 h LEU 764 Cb 0.79 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u89 h LEU 764 CO 0.17 1.56 -0.02 -0.09 0.09 0.00 0.00 178.44 180.16 1u89 h ARG 765 N 0.09 0.26 0.00 1.13 2.43 -1.74 -2.21 114.38 114.34 1u89 h ARG 765 Ca -0.26 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1u89 h ARG 765 Cb 2.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1u89 h ARG 765 CO 0.19 0.52 -0.12 0.78 -1.51 0.00 0.00 179.97 179.82 1u89 h GLY 766 N -0.02 0.00 0.93 2.80 0.00 -1.16 -3.28 103.07 102.34 1u89 h GLY 766 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1u89 h GLY 766 CO 0.01 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.45 1u89 h VAL 767 N -0.66 1.26 -0.28 4.60 2.07 -1.40 -1.73 116.25 120.11 1u89 h VAL 767 Ca 0.00 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1u89 h VAL 767 Cb 0.12 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1u89 h VAL 767 CO 0.00 0.34 0.11 1.23 0.02 0.00 0.00 177.57 179.27 1u89 h GLY 768 N 0.48 0.35 1.10 2.17 0.00 -1.09 0.35 103.07 106.42 1u89 h GLY 768 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1u89 h GLY 768 CO 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 176.54 176.47 1u89 h ALA 769 N 1.16 0.73 -0.25 3.60 0.00 -1.50 -1.79 119.26 121.21 1u89 h ALA 769 Ca 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1u89 h ALA 769 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1u89 h ALA 769 CO -0.11 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 1u89 h ALA 770 N 0.91 0.35 -0.16 0.00 0.00 -0.99 -0.80 119.26 118.57 1u89 h ALA 770 Ca 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u89 h ALA 770 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1u89 h ALA 770 CO 0.05 0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.58 1u89 h ALA 771 N 0.75 0.21 -0.16 0.00 0.00 -0.28 -2.15 119.26 117.63 1u89 h ALA 771 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u89 h ALA 771 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u89 h ALA 771 CO 0.03 -0.27 -0.10 1.15 0.00 0.00 0.00 179.25 180.07 1u89 h THR 772 N 0.17 1.16 -0.52 0.00 2.02 -1.32 -1.85 112.91 112.57 1u89 h THR 772 Ca 0.06 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1u89 h THR 772 Cb 0.06 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1u89 h THR 772 CO -0.01 0.22 0.32 0.00 0.37 0.00 0.00 175.52 176.43 1u89 h ALA 773 N 1.67 0.67 -0.67 6.16 0.00 -0.62 0.28 119.26 126.74 1u89 h ALA 773 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 773 Cb 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 773 CO 0.02 0.14 0.21 0.28 0.00 0.00 0.00 179.25 179.91 1u89 h VAL 774 N 0.70 1.25 -0.15 0.00 2.07 -0.83 0.20 116.25 119.50 1u89 h VAL 774 Ca 0.19 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1u89 h VAL 774 Cb -0.02 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1u89 h VAL 774 CO -0.04 0.34 0.07 0.74 0.02 0.00 0.00 177.57 178.70 1u89 h THR 775 N 0.98 0.99 -0.41 2.57 2.02 -0.84 0.43 112.91 118.65 1u89 h THR 775 Ca 0.22 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.25 1u89 h THR 775 Cb 0.30 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1u89 h THR 775 CO -0.01 0.03 -0.13 1.56 0.37 0.00 0.00 175.52 177.34 1u89 h GLN 776 N 0.15 0.82 -0.72 6.66 4.20 -0.77 -2.39 115.11 123.06 1u89 h GLN 776 Ca 0.06 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 1u89 h GLN 776 Cb 0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1u89 h GLN 776 CO -0.05 0.95 0.29 0.00 -0.67 0.00 0.00 178.83 179.36 1u89 h ALA 777 N 0.84 0.93 -0.33 3.87 0.00 -0.37 0.18 119.26 124.38 1u89 h ALA 777 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1u89 h ALA 777 Cb 0.67 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1u89 h ALA 777 CO 0.05 0.55 0.08 1.25 0.00 0.00 0.00 179.25 181.18 1u89 h LEU 778 N 1.03 0.50 -1.34 0.00 5.85 -0.87 -0.99 115.31 119.48 1u89 h LEU 778 Ca 0.24 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1u89 h LEU 778 Cb 0.20 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1u89 h LEU 778 CO -0.02 0.60 -0.01 0.78 -0.34 0.00 0.00 178.44 179.45 1u89 h ASN 779 N 0.38 0.40 0.24 1.25 2.35 -1.13 0.83 115.58 119.89 1u89 h ASN 779 Ca 0.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1u89 h ASN 779 Cb 0.29 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1u89 h ASN 779 CO 0.00 0.47 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.76 1u89 h GLU 780 N 0.42 -0.38 -0.24 0.81 4.39 -0.18 -2.27 114.58 117.13 1u89 h GLU 780 Ca 0.09 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1u89 h GLU 780 Cb 0.29 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1u89 h GLU 780 CO 0.01 -0.25 0.09 1.25 -1.16 0.00 0.00 179.01 178.94 1u89 h LEU 781 N -0.39 0.33 0.40 1.33 5.85 -0.68 -2.15 115.31 119.99 1u89 h LEU 781 Ca -0.02 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1u89 h LEU 781 Cb 0.33 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1u89 h LEU 781 CO 0.01 0.43 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.06 1u89 h LEU 782 N 0.22 -1.11 -1.77 2.25 3.38 -0.81 0.42 115.31 117.90 1u89 h LEU 782 Ca 0.08 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1u89 h LEU 782 Cb 0.20 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u89 h LEU 782 CO -0.00 -0.55 -0.12 0.06 0.09 0.00 0.00 178.44 177.91 1u89 h GLN 783 N -0.82 0.00 -0.08 1.13 3.07 -1.46 -2.43 115.11 114.52 1u89 h GLN 783 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.57 1u89 h GLN 783 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.30 1u89 h GLN 783 CO -0.07 0.12 -0.48 1.25 0.09 0.00 0.00 178.83 179.74 1u89 h HIS 784 N 0.00 0.64 -0.51 0.06 6.17 -0.66 -3.26 115.15 117.59 1u89 h HIS 784 Ca -0.00 -0.29 -0.09 0.00 0.71 0.00 0.00 60.37 60.70 1u89 h HIS 784 Cb 0.21 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 1u89 h HIS 784 CO 0.00 1.06 -0.05 0.28 0.71 0.00 0.00 177.93 179.93 1u89 h VAL 785 N 0.03 1.26 -0.11 5.26 2.07 0.25 0.39 116.25 125.39 1u89 h VAL 785 Ca -0.04 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1u89 h VAL 785 Cb 1.13 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1u89 h VAL 785 CO 0.10 0.40 -0.03 0.11 0.02 0.00 0.00 177.57 178.17 1u89 h LYS 786 N 0.82 0.16 0.00 1.57 1.79 -1.54 -2.87 116.57 116.50 1u89 h LYS 786 Ca 0.14 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.40 1u89 h LYS 786 Cb 0.56 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1u89 h LYS 786 CO 0.03 0.20 -2.11 0.00 -1.08 0.00 0.00 179.45 176.49 1u89 n ALA 787 N -2.51 2.10 -3.80 3.86 0.00 -0.96 -4.70 120.51 114.49 1u89 n ALA 787 Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 53.44 52.23 1u89 n ALA 787 Cb 0.17 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1u89 n ALA 787 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u89 s HIS 788 N -2.97 2.61 0.55 0.00 3.76 0.13 -5.10 115.29 114.27 1u89 s HIS 788 Ca -0.08 -2.83 0.04 0.00 -0.15 0.00 0.00 55.06 52.03 1u89 s HIS 788 Cb 0.10 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.55 1u89 s HIS 788 CO 0.86 -0.73 0.31 0.00 -0.85 0.00 0.00 174.74 174.33 1u89 s ALA 789 N -0.23 4.43 -0.27 -1.40 0.00 -1.16 -4.37 121.76 118.75 1u89 s ALA 789 Ca 0.20 -0.91 0.13 0.00 0.00 0.00 0.00 51.96 51.38 1u89 s ALA 789 Cb -0.19 -0.54 0.47 0.00 0.00 0.00 0.00 23.12 22.87 1u89 s ALA 789 CO -0.05 -0.35 1.16 0.25 0.00 0.00 0.00 175.76 176.78 1u89 n THR 790 N -1.67 2.05 -3.06 0.00 -2.24 -1.26 -4.80 114.28 103.30 1u89 n THR 790 Ca -0.07 -3.69 0.00 0.00 -2.27 0.00 0.00 64.05 58.02 1u89 n THR 790 Cb 0.65 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1u89 n THR 790 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u89 n GLY 791 N -0.66 1.22 0.21 3.38 0.00 -1.26 -4.72 105.19 103.36 1u89 n GLY 791 Ca 0.30 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 h ALA 792 N 2.00 0.70 -3.00 4.61 0.00 -1.97 -3.45 119.26 118.15 1u89 h ALA 792 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u89 h ALA 792 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u89 h ALA 792 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1u89 n GLY 793 N 0.26 2.85 2.61 0.00 0.00 -1.26 -4.97 105.19 104.68 1u89 n GLY 793 Ca -0.03 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u89 n PRO 794 N 0.00 3.92 -3.65 1.61 -0.05 -1.26 -4.63 135.00 130.93 1u89 n PRO 794 Ca 0.00 -3.17 -0.23 0.00 -0.05 0.00 0.00 63.50 60.05 1u89 n PRO 794 Cb 0.00 -2.83 0.04 0.00 -0.05 0.00 0.00 33.50 30.65 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1u89 n ALA 795 N 3.25 -2.18 -0.07 0.55 0.00 -1.26 -3.75 120.51 117.05 1u89 n ALA 795 Ca 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1u89 n ALA 795 Cb 0.30 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 -1.57 1.86 0.00 0.00 0.00 -1.26 -4.82 105.19 99.41 1u89 n GLY 796 Ca -0.23 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1u89 n GLY 796 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1u89 n ARG 797 N 3.51 0.00 -1.36 1.61 1.85 -1.25 -4.82 116.66 116.20 1u89 n ARG 797 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 1u89 n ARG 797 Cb 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 31.50 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u89 n TYR 798 N -0.06 0.31 -0.16 2.89 4.01 -1.26 -4.91 117.16 117.97 1u89 n TYR 798 Ca 0.00 -1.12 -0.05 0.00 -0.16 0.00 0.00 57.90 56.57 1u89 n TYR 798 Cb 0.00 -0.20 0.04 0.00 -0.31 0.00 0.00 39.34 38.87 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1u89 h ASP 799 N 1.24 0.39 -0.31 7.72 3.58 -1.97 0.16 116.42 127.23 1u89 h ASP 799 Ca -0.10 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 1u89 h ASP 799 Cb 1.51 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 1u89 h ASP 799 CO 0.12 0.28 -0.19 -0.61 -2.88 0.00 0.00 179.24 175.96 1u89 h GLN 800 N 0.52 0.78 -0.15 0.28 4.15 -1.99 -1.89 115.11 116.81 1u89 h GLN 800 Ca 0.21 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1u89 h GLN 800 Cb 0.09 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1u89 h GLN 800 CO -0.13 0.91 -0.04 0.00 -1.93 0.00 0.00 178.83 177.65 1u89 h ALA 801 N 1.09 0.21 -0.65 3.38 0.00 -1.66 -0.71 119.26 120.93 1u89 h ALA 801 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1u89 h ALA 801 Cb 0.69 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1u89 h ALA 801 CO 0.05 -0.03 0.33 1.79 0.00 0.00 0.00 179.25 181.39 1u89 h THR 802 N -0.01 1.21 -0.36 0.00 1.35 -0.70 -2.00 112.91 112.40 1u89 h THR 802 Ca 0.04 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1u89 h THR 802 Cb 0.47 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 1u89 h THR 802 CO 0.02 0.24 0.19 -0.78 -0.25 0.00 0.00 175.52 174.93 1u89 h ASP 803 N 0.91 0.45 -0.46 5.36 3.58 -1.12 -1.31 116.42 123.82 1u89 h ASP 803 Ca 0.23 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.59 1u89 h ASP 803 Cb 0.07 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1u89 h ASP 803 CO -0.03 0.42 0.29 0.74 -2.88 0.00 0.00 179.24 177.78 1u89 h THR 804 N 0.44 1.07 -0.16 2.25 2.02 -0.49 0.18 112.91 118.23 1u89 h THR 804 Ca 0.12 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1u89 h THR 804 Cb 0.08 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1u89 h THR 804 CO -0.02 0.11 0.10 0.40 0.37 0.00 0.00 175.52 176.48 1u89 h ILE 805 N 0.58 1.06 -0.44 3.11 2.04 -1.26 -0.10 117.51 122.51 1u89 h ILE 805 Ca 0.18 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1u89 h ILE 805 Cb -0.02 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1u89 h ILE 805 CO -0.07 0.06 0.23 -0.07 0.00 0.00 0.00 178.15 178.31 1u89 h LEU 806 N 0.19 0.36 -0.25 1.44 3.38 -0.68 0.18 115.31 119.92 1u89 h LEU 806 Ca 0.06 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1u89 h LEU 806 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1u89 h LEU 806 CO -0.01 0.25 0.09 0.74 0.09 0.00 0.00 178.44 179.60 1u89 h THR 807 N 0.47 0.94 0.34 0.22 2.02 -0.41 0.12 112.91 116.60 1u89 h THR 807 Ca 0.18 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1u89 h THR 807 Cb 0.06 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1u89 h THR 807 CO -0.11 0.04 -0.16 0.58 0.37 0.00 0.00 175.52 176.23 1u89 h VAL 808 N 0.20 0.69 -0.66 3.16 2.07 -0.44 0.25 116.25 121.51 1u89 h VAL 808 Ca 0.11 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1u89 h VAL 808 Cb 0.07 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1u89 h VAL 808 CO -0.11 0.05 0.36 0.74 0.02 0.00 0.00 177.57 178.63 1u89 h THR 809 N -0.57 1.20 -0.18 2.57 2.02 -0.60 -1.19 112.91 116.15 1u89 h THR 809 Ca -0.05 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 1u89 h THR 809 Cb 0.42 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1u89 h THR 809 CO 0.08 0.22 -0.36 -0.08 0.37 0.00 0.00 175.52 175.75 1u89 h GLU 810 N 0.92 0.39 -0.07 6.66 4.81 -0.54 -2.57 114.58 124.18 1u89 h GLU 810 Ca 0.24 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1u89 h GLU 810 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1u89 h GLU 810 CO -0.04 0.70 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.88 1u89 h ASN 811 N 0.33 0.11 0.63 1.04 2.35 0.70 -2.12 115.58 118.61 1u89 h ASN 811 Ca 0.04 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1u89 h ASN 811 Cb 0.79 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1u89 h ASN 811 CO 0.06 0.28 -0.33 0.40 -1.65 0.00 0.00 177.43 176.20 1u89 h ILE 812 N 0.11 0.92 -0.16 2.81 2.04 -0.98 0.21 117.51 122.46 1u89 h ILE 812 Ca 0.02 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.48 1u89 h ILE 812 Cb 0.35 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1u89 h ILE 812 CO 0.02 0.32 -0.49 -0.26 0.00 0.00 0.00 178.15 177.74 1u89 h PHE 813 N 0.00 0.51 0.04 1.37 0.04 -1.37 0.24 116.94 117.77 1u89 h PHE 813 Ca -0.00 -0.17 -0.22 0.00 2.80 0.00 0.00 57.97 60.38 1u89 h PHE 813 Cb 0.73 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1u89 h PHE 813 CO 0.00 0.83 -1.03 0.77 -0.60 0.00 0.00 178.31 178.28 1u89 h SER 814 N 0.33 0.19 0.34 2.17 0.02 -1.31 -3.28 113.55 112.01 1u89 h SER 814 Ca 0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1u89 h SER 814 Cb 0.98 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1u89 h SER 814 CO 0.09 1.09 -0.40 -1.54 -1.14 0.00 0.00 176.83 174.93 1u89 n SER 815 N -3.50 0.82 -4.58 3.07 3.41 0.68 -4.91 113.62 108.61 1u89 n SER 815 Ca -0.03 -0.63 -0.50 0.00 -0.26 0.00 0.00 58.87 57.45 1u89 n SER 815 Cb 0.92 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 65.05 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 -1.05 1.57 0.00 4.33 0.00 0.82 -0.32 117.12 122.49 1u89 n MET 816 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 57.70 58.30 1u89 n MET 816 Cb 0.35 -2.58 0.00 0.00 0.00 0.00 0.00 33.22 30.99 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 5.42 1.30 3.19 -5.12 0.00 -1.26 -5.05 105.19 103.68 1u89 n GLY 817 Ca 0.32 0.00 -0.40 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 -1.26 5.67 0.24 1.61 2.15 0.57 -4.96 116.67 120.68 1u89 s ASP 818 Ca 0.00 -2.08 -0.05 0.00 0.43 0.00 0.00 52.55 50.85 1u89 s ASP 818 Cb 0.00 -1.98 0.40 0.00 -0.30 0.00 0.00 42.92 41.04 1u89 s ASP 818 CO 0.00 -0.64 1.77 0.00 -0.17 0.00 0.00 175.17 176.13 1u89 h ALA 819 N 8.21 1.06 -0.09 3.66 0.00 -1.89 -1.12 119.26 129.09 1u89 h ALA 819 Ca -0.16 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 819 Cb 1.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1u89 h ALA 819 CO 0.82 -0.09 -0.08 0.78 0.00 0.00 0.00 179.25 180.68 1u89 h GLY 820 N 0.58 -0.01 1.14 0.00 0.00 -1.93 0.13 103.07 102.98 1u89 h GLY 820 Ca 0.39 0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.64 1u89 h GLY 820 CO -0.31 -0.09 -0.49 -2.09 0.00 0.00 0.00 176.54 173.55 1u89 h GLU 821 N -0.10 0.91 -0.62 4.80 4.57 -1.84 -2.49 114.58 119.80 1u89 h GLU 821 Ca 0.06 -0.54 0.04 0.00 -1.18 0.00 0.00 59.36 57.74 1u89 h GLU 821 Cb 0.19 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 1u89 h GLU 821 CO -0.15 1.19 0.36 0.52 -1.18 0.00 0.00 179.01 179.75 1u89 h MET 822 N 0.71 0.67 -0.65 1.92 2.86 -0.94 -0.57 114.93 118.92 1u89 h MET 822 Ca 0.03 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1u89 h MET 822 Cb 1.10 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1u89 h MET 822 CO 0.11 0.44 0.15 0.28 1.06 0.00 0.00 176.91 178.95 1u89 h VAL 823 N 0.69 1.26 0.08 -2.22 2.07 -0.95 -0.65 116.25 116.53 1u89 h VAL 823 Ca 0.27 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1u89 h VAL 823 Cb 0.10 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1u89 h VAL 823 CO -0.14 0.36 -0.11 -0.09 0.02 0.00 0.00 177.57 177.62 1u89 h ARG 824 N 0.98 -0.22 -0.69 1.57 2.43 -0.86 -0.61 114.38 116.99 1u89 h ARG 824 Ca 0.20 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1u89 h ARG 824 Cb 0.38 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1u89 h ARG 824 CO 0.00 -0.14 0.29 1.96 -1.51 0.00 0.00 179.97 180.57 1u89 h GLN 825 N -0.22 1.02 -0.79 0.20 1.08 -1.06 -2.27 115.11 113.06 1u89 h GLN 825 Ca 0.01 -0.18 0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1u89 h GLN 825 Cb 0.23 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 1u89 h GLN 825 CO -0.05 0.84 0.52 0.00 -0.95 0.00 0.00 178.83 179.19 1u89 h ALA 826 N 1.13 1.66 -0.48 3.87 0.00 -0.74 0.17 119.26 124.88 1u89 h ALA 826 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1u89 h ALA 826 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 826 CO -0.02 0.20 0.14 0.00 0.00 0.00 0.00 179.25 179.57 1u89 h ARG 827 N 0.82 0.75 -0.51 0.00 3.08 -0.55 -1.65 114.38 116.33 1u89 h ARG 827 Ca 0.35 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1u89 h ARG 827 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1u89 h ARG 827 CO -0.13 0.72 -0.09 0.82 -1.07 0.00 0.00 179.97 180.23 1u89 h ILE 828 N 0.64 1.26 -0.21 2.04 2.04 -0.85 -2.69 117.51 119.74 1u89 h ILE 828 Ca 0.15 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.84 1u89 h ILE 828 Cb 0.29 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1u89 h ILE 828 CO -0.00 0.42 0.04 0.25 0.00 0.00 0.00 178.15 178.85 1u89 h LEU 829 N 0.83 -0.00 -1.16 1.44 5.85 -0.47 0.18 115.31 121.98 1u89 h LEU 829 Ca 0.14 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1u89 h LEU 829 Cb 0.61 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1u89 h LEU 829 CO 0.04 0.03 0.58 0.00 -0.34 0.00 0.00 178.44 178.75 1u89 h ALA 830 N 1.16 1.49 -0.02 1.25 0.00 -1.15 -0.07 119.26 121.92 1u89 h ALA 830 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 830 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u89 h ALA 830 CO -0.13 0.40 -0.04 0.37 0.00 0.00 0.00 179.25 179.84 1u89 h GLN 831 N 1.05 0.06 -0.12 0.00 -0.00 -1.10 -2.94 115.11 112.07 1u89 h GLN 831 Ca 0.37 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1u89 h GLN 831 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 1u89 h GLN 831 CO -0.13 0.63 0.07 0.00 0.00 0.00 0.00 178.83 179.40 1u89 h ALA 832 N 0.44 0.15 -0.69 3.38 0.00 -0.23 -2.44 119.26 119.87 1u89 h ALA 832 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 832 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1u89 h ALA 832 CO 0.01 -0.34 0.30 1.15 0.00 0.00 0.00 179.25 180.37 1u89 h THR 833 N 0.13 1.23 -0.90 0.00 2.02 -1.14 -1.04 112.91 113.20 1u89 h THR 833 Ca 0.04 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1u89 h THR 833 Cb 0.03 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1u89 h THR 833 CO -0.01 0.29 0.59 0.28 0.37 0.00 0.00 175.52 177.04 1u89 h SER 834 N 0.99 1.00 -0.30 4.18 0.02 -1.29 0.22 113.55 118.37 1u89 h SER 834 Ca 0.24 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1u89 h SER 834 Cb 0.16 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1u89 h SER 834 CO -0.02 0.70 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.53 1u89 h ASP 835 N 1.17 0.57 0.17 3.07 3.58 -0.95 -1.60 116.42 122.42 1u89 h ASP 835 Ca 0.35 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1u89 h ASP 835 Cb -0.05 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1u89 h ASP 835 CO -0.10 0.79 -0.08 0.25 -2.88 0.00 0.00 179.24 177.22 1u89 h LEU 836 N 0.34 -0.19 -0.61 2.28 5.85 -0.60 -0.90 115.31 121.48 1u89 h LEU 836 Ca 0.08 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1u89 h LEU 836 Cb 0.53 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1u89 h LEU 836 CO 0.03 -0.11 0.32 0.58 -0.34 0.00 0.00 178.44 178.92 1u89 h VAL 837 N -0.25 1.20 -0.67 1.05 2.07 -0.59 -2.38 116.25 116.68 1u89 h VAL 837 Ca -0.02 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1u89 h VAL 837 Cb 0.19 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1u89 h VAL 837 CO 0.04 0.22 0.22 -1.13 0.02 0.00 0.00 177.57 176.94 1u89 h ASN 838 N 0.83 0.94 -0.07 0.57 -1.24 -1.18 0.02 115.58 115.46 1u89 h ASN 838 Ca 0.21 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1u89 h ASN 838 Cb 0.07 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 1u89 h ASN 838 CO -0.03 0.88 0.04 0.00 -1.29 0.00 0.00 177.43 177.02 1u89 h ALA 839 N 1.25 0.08 -0.51 1.57 0.00 -0.70 0.15 119.26 121.11 1u89 h ALA 839 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 839 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 839 CO -0.01 -0.40 0.07 0.82 0.00 0.00 0.00 179.25 179.73 1u89 h ILE 840 N 0.04 1.25 -0.53 0.00 2.04 -1.28 -1.53 117.51 117.51 1u89 h ILE 840 Ca 0.02 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1u89 h ILE 840 Cb 0.04 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1u89 h ILE 840 CO -0.00 0.35 0.30 0.50 0.00 0.00 0.00 178.15 179.30 1u89 h LYS 841 N 0.73 0.58 -0.13 2.37 3.64 -0.73 0.91 116.57 123.93 1u89 h LYS 841 Ca 0.15 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1u89 h LYS 841 Cb 0.43 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1u89 h LYS 841 CO 0.01 0.38 -0.44 0.00 -2.27 0.00 0.00 179.45 177.14 1u89 h ALA 842 N 1.25 1.01 -0.05 5.00 0.00 -0.54 -1.78 119.26 124.16 1u89 h ALA 842 Ca 0.22 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 1u89 h ALA 842 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u89 h ALA 842 CO -0.12 0.62 -0.87 0.22 0.00 0.00 0.00 179.25 179.10 1u89 h ASP 843 N 0.26 0.64 0.85 0.00 3.58 -0.84 -2.83 116.42 118.07 1u89 h ASP 843 Ca 0.02 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1u89 h ASP 843 Cb 0.88 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1u89 h ASP 843 CO 0.07 1.25 0.00 0.00 -2.88 0.00 0.00 179.24 177.68 1u89 h ALA 844 N 0.72 1.00 -1.07 -0.78 0.00 -0.67 -3.39 119.26 115.07 1u89 h ALA 844 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.44 1u89 h ALA 844 Cb 1.49 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1u89 h ALA 844 CO 0.16 0.00 1.04 -1.21 0.00 0.00 0.00 179.25 179.23 1u89 s GLU 845 N -3.69 2.66 0.00 0.00 2.02 -0.68 -2.63 118.70 116.38 1u89 s GLU 845 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1u89 s GLU 845 Cb 0.09 -4.77 0.00 0.00 0.10 0.00 0.00 34.13 29.55 1u89 s GLU 845 CO 0.51 -3.01 0.00 0.41 0.02 0.00 0.00 175.26 173.19 1u89 n GLY 846 N 6.33 0.85 3.93 -1.39 0.00 -1.26 -4.99 105.19 108.67 1u89 n GLY 846 Ca 0.30 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1u89 n GLY 846 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u89 s GLU 847 N -2.01 3.24 0.00 1.61 1.03 -1.08 -5.05 118.70 116.43 1u89 s GLU 847 Ca 0.00 -0.21 0.00 0.00 0.03 0.00 0.00 54.97 54.79 1u89 s GLU 847 Cb 0.00 -2.48 0.00 0.00 -0.80 0.00 0.00 34.13 30.85 1u89 s GLU 847 CO 0.00 -0.25 0.62 0.43 -1.33 0.00 0.00 175.26 174.73 1u89 n SER 848 N -2.15 0.00 -4.44 0.83 7.64 -1.26 -4.82 113.62 109.41 1u89 n SER 848 Ca 0.00 0.80 -0.33 0.00 1.01 0.00 0.00 58.87 60.36 1u89 n SER 848 Cb 0.57 -0.49 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 1u89 n SER 848 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u89 s ASP 849 N -2.37 4.09 0.17 6.43 -1.08 -1.26 -5.01 116.67 117.64 1u89 s ASP 849 Ca 0.00 -0.24 0.22 0.00 -0.52 0.00 0.00 52.55 52.02 1u89 s ASP 849 Cb 0.00 -1.22 0.89 0.00 -1.46 0.00 0.00 42.92 41.13 1u89 s ASP 849 CO 0.00 0.27 1.69 0.18 0.52 0.00 0.00 175.17 177.82 1u89 n LEU 850 N 2.85 0.49 -0.05 -1.34 4.77 -1.26 -2.24 117.00 120.22 1u89 n LEU 850 Ca -0.18 0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1u89 n LEU 850 Cb 0.52 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1u89 n LEU 850 CO 0.28 -0.38 0.57 1.05 -1.33 0.00 0.00 177.39 177.58 1u89 h GLU 851 N 0.00 0.72 -0.11 3.23 -0.00 -2.01 -2.89 114.58 113.51 1u89 h GLU 851 Ca 0.00 -0.37 -0.06 0.00 -0.00 0.00 0.00 59.36 58.93 1u89 h GLU 851 Cb 0.42 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1u89 h GLU 851 CO 0.00 0.99 -0.16 -0.91 -0.00 0.00 0.00 179.01 178.93 1u89 h ASN 852 N 0.59 0.34 -0.49 3.06 2.35 -1.81 -3.20 115.58 116.41 1u89 h ASN 852 Ca 0.05 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1u89 h ASN 852 Cb 0.94 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1u89 h ASN 852 CO 0.09 0.79 0.31 0.77 -1.65 0.00 0.00 177.43 177.74 1u89 h SER 853 N -0.10 0.52 -0.54 5.81 4.64 -1.56 0.37 113.55 122.69 1u89 h SER 853 Ca 0.01 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1u89 h SER 853 Cb 0.72 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1u89 h SER 853 CO 0.04 0.37 0.34 0.03 -0.87 0.00 0.00 176.83 176.74 1u89 h ARG 854 N 0.63 0.67 -0.60 4.77 3.08 -1.59 0.23 114.38 121.58 1u89 h ARG 854 Ca 0.19 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 1u89 h ARG 854 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1u89 h ARG 854 CO -0.06 0.44 0.05 0.87 -1.07 0.00 0.00 179.97 180.20 1u89 h LYS 855 N 0.69 1.00 -0.06 0.04 1.57 -1.42 -1.97 116.57 116.42 1u89 h LYS 855 Ca 0.21 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1u89 h LYS 855 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1u89 h LYS 855 CO -0.07 0.96 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.69 1u89 h LEU 856 N 0.93 -0.04 -0.50 2.94 3.38 0.12 0.64 115.31 122.78 1u89 h LEU 856 Ca 0.18 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1u89 h LEU 856 Cb 0.48 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1u89 h LEU 856 CO 0.02 -0.01 -0.49 -0.07 0.09 0.00 0.00 178.44 177.98 1u89 h LEU 857 N 0.01 0.00 -0.04 1.67 3.38 -0.61 -1.69 115.31 118.03 1u89 h LEU 857 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 1u89 h LEU 857 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1u89 h LEU 857 CO -0.06 0.49 -0.82 0.28 0.09 0.00 0.00 178.44 178.43 1u89 h SER 858 N 0.00 0.79 -0.54 -0.43 0.02 -1.02 -1.94 113.55 110.43 1u89 h SER 858 Ca -0.00 -0.71 -0.06 0.00 -0.84 0.00 0.00 61.79 60.18 1u89 h SER 858 Cb 1.17 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1u89 h SER 858 CO 0.06 1.39 0.12 0.00 -1.14 0.00 0.00 176.83 177.26 1u89 h ALA 859 N 0.42 0.71 -0.18 3.77 0.00 -0.82 -2.27 119.26 120.89 1u89 h ALA 859 Ca -0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 859 Cb 1.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1u89 h ALA 859 CO 0.16 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1u89 h ALA 860 N 1.00 1.62 -0.69 0.00 0.00 -1.34 -2.01 119.26 117.85 1u89 h ALA 860 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 860 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1u89 h ALA 860 CO 0.00 0.28 0.24 -0.22 0.00 0.00 0.00 179.25 179.56 1u89 h LYS 861 N 0.25 1.05 -0.56 0.00 3.64 -0.80 -2.51 116.57 117.65 1u89 h LYS 861 Ca 0.06 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1u89 h LYS 861 Cb 0.23 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1u89 h LYS 861 CO 0.01 0.89 0.10 0.82 -2.27 0.00 0.00 179.45 179.00 1u89 h ILE 862 N 1.00 1.24 0.02 2.00 2.04 -0.90 0.40 117.51 123.30 1u89 h ILE 862 Ca 0.23 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1u89 h ILE 862 Cb 0.26 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1u89 h ILE 862 CO -0.01 0.34 -0.28 -0.07 0.00 0.00 0.00 178.15 178.12 1u89 h LEU 863 N 0.84 -0.83 -0.37 1.44 -0.00 -1.01 0.16 115.31 115.54 1u89 h LEU 863 Ca 0.18 0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 58.07 1u89 h LEU 863 Cb 0.37 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1u89 h LEU 863 CO 0.01 -0.35 -0.16 0.00 -0.00 0.00 0.00 178.44 177.94 1u89 h ALA 864 N 0.34 0.51 -0.41 1.53 0.00 -1.27 -1.41 119.26 118.56 1u89 h ALA 864 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 864 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1u89 h ALA 864 CO -0.23 0.43 0.23 0.22 0.00 0.00 0.00 179.25 179.90 1u89 h ASP 865 N 0.55 0.36 -0.04 0.00 1.82 -0.67 0.57 116.42 119.00 1u89 h ASP 865 Ca 0.08 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.60 1u89 h ASP 865 Cb 0.70 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1u89 h ASP 865 CO 0.05 0.26 -0.42 0.00 -1.61 0.00 0.00 179.24 177.52 1u89 h ALA 866 N 1.19 0.83 -0.60 -0.78 0.00 -0.67 -2.57 119.26 116.67 1u89 h ALA 866 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1u89 h ALA 866 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1u89 h ALA 866 CO -0.09 0.65 0.04 1.15 0.00 0.00 0.00 179.25 181.00 1u89 h THR 867 N 0.47 1.26 -0.61 0.00 2.02 -0.63 0.26 112.91 115.67 1u89 h THR 867 Ca 0.04 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1u89 h THR 867 Cb 0.92 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1u89 h THR 867 CO 0.08 0.39 0.22 0.00 0.37 0.00 0.00 175.52 176.59 1u89 h ALA 868 N 1.09 0.80 -0.36 6.16 0.00 -0.82 0.12 119.26 126.25 1u89 h ALA 868 Ca 0.18 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 868 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u89 h ALA 868 CO 0.02 0.44 -0.10 0.87 0.00 0.00 0.00 179.25 180.48 1u89 h LYS 869 N 0.86 0.62 -0.05 0.00 1.79 -1.04 0.21 116.57 118.96 1u89 h LYS 869 Ca 0.20 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1u89 h LYS 869 Cb 0.24 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1u89 h LYS 869 CO -0.01 0.71 0.01 1.98 -1.08 0.00 0.00 179.45 181.07 1u89 h MET 870 N 0.57 0.07 -0.24 3.15 4.05 0.03 0.26 114.93 122.82 1u89 h MET 870 Ca 0.10 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1u89 h MET 870 Cb 0.51 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1u89 h MET 870 CO 0.03 0.25 -0.12 -0.24 0.23 0.00 0.00 176.91 177.05 1u89 h VAL 871 N -0.12 1.21 -0.24 -5.77 3.04 -0.56 0.15 116.25 113.97 1u89 h VAL 871 Ca 0.02 -0.93 -0.07 0.00 -1.01 0.00 0.00 66.70 64.70 1u89 h VAL 871 Cb 0.21 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 1u89 h VAL 871 CO -0.00 0.30 -0.13 -0.08 -1.01 0.00 0.00 177.57 176.65 1u89 h GLU 872 N 0.37 0.50 -0.16 4.17 4.81 -0.35 -2.16 114.58 121.76 1u89 h GLU 872 Ca 0.07 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1u89 h GLU 872 Cb 0.45 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1u89 h GLU 872 CO 0.03 0.78 -0.11 0.00 -0.73 0.00 0.00 179.01 178.98 1u89 h ALA 873 N 0.71 0.23 -0.98 2.92 0.00 -0.18 -1.14 119.26 120.83 1u89 h ALA 873 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 873 Cb 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1u89 h ALA 873 CO 0.04 0.07 0.65 0.00 0.00 0.00 0.00 179.25 180.01 1u89 h ALA 874 N 0.65 1.25 -0.14 0.00 0.00 -0.76 0.39 119.26 120.65 1u89 h ALA 874 Ca 0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1u89 h ALA 874 Cb 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 874 CO 0.03 0.61 -0.72 0.87 0.00 0.00 0.00 179.25 180.04 1u89 h LYS 875 N 1.31 0.63 -0.13 0.00 1.57 -1.38 -2.37 116.57 116.20 1u89 h LYS 875 Ca 0.36 -0.49 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1u89 h LYS 875 Cb -0.12 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1u89 h LYS 875 CO -0.09 1.11 -0.44 0.78 -0.57 0.00 0.00 179.45 180.25 1u89 h GLY 876 N 0.90 0.33 -0.77 3.86 0.00 -0.64 -2.37 103.07 104.38 1u89 h GLY 876 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1u89 h GLY 876 CO 0.14 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.98 1u89 n ALA 877 N -2.48 2.53 1.15 3.60 0.00 0.08 -3.70 120.51 121.68 1u89 n ALA 877 Ca -0.02 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1u89 n ALA 877 Cb 0.51 -1.10 0.35 0.00 0.00 0.00 0.00 19.45 19.21 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 878 N 0.34 2.51 -3.45 0.00 0.00 -0.89 -4.82 120.51 114.20 1u89 n ALA 878 Ca 0.17 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 1u89 n ALA 878 Cb 0.36 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 1u89 n ALA 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 879 N -1.86 2.28 -0.16 0.00 0.00 -1.24 -4.86 121.76 115.92 1u89 s ALA 879 Ca 0.34 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 1u89 s ALA 879 Cb 0.20 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1u89 s ALA 879 CO 0.30 0.09 0.16 1.58 0.00 0.00 0.00 175.76 177.89 1u89 n HIS 880 N 3.85 -3.39 -2.32 0.00 -0.00 -1.26 -4.82 115.22 107.28 1u89 n HIS 880 Ca -0.19 1.89 -0.35 0.00 0.46 0.00 0.00 57.72 59.52 1u89 n HIS 880 Cb 0.52 -3.38 -0.03 0.00 -0.12 0.00 0.00 29.99 26.98 1u89 n HIS 880 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1u89 s PRO 881 N -0.85 3.23 0.11 1.57 0.02 -1.26 -4.62 135.00 133.19 1u89 s PRO 881 Ca -0.18 -1.51 0.23 0.00 0.02 0.00 0.00 61.00 59.55 1u89 s PRO 881 Cb 0.01 -5.38 0.01 0.00 0.02 0.00 0.00 34.50 29.16 1u89 s PRO 881 CO 0.61 -3.09 0.99 -0.25 -0.33 0.00 0.00 177.00 174.93 1u89 n ASP 882 N 11.38 0.63 -4.82 2.53 8.00 -1.26 -4.95 116.55 128.05 1u89 n ASP 882 Ca 0.46 0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.72 1u89 n ASP 882 Cb 0.47 0.76 0.06 0.00 -0.02 0.00 0.00 41.12 42.38 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1u89 s SER 883 N -4.60 5.25 -0.22 -2.24 1.04 -1.26 -4.97 113.70 106.70 1u89 s SER 883 Ca 0.01 1.57 -0.29 0.00 0.48 0.00 0.00 55.95 57.71 1u89 s SER 883 Cb 0.12 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 1u89 s SER 883 CO 0.80 -1.52 1.66 -1.83 0.98 0.00 0.00 173.24 173.34 1u89 s GLU 884 N -5.06 3.75 0.00 4.02 1.03 -1.26 -4.86 118.70 116.32 1u89 s GLU 884 Ca 0.58 1.69 0.24 0.00 0.03 0.00 0.00 54.97 57.51 1u89 s GLU 884 Cb -0.14 -4.06 0.40 0.00 -0.80 0.00 0.00 34.13 29.52 1u89 s GLU 884 CO 0.55 -1.35 1.38 -0.85 -1.33 0.00 0.00 175.26 173.66 1u89 n GLU 885 N 7.75 2.39 -3.93 -4.83 -0.00 -1.26 -4.94 120.64 115.83 1u89 n GLU 885 Ca 0.19 -2.07 -0.21 0.00 -0.00 0.00 0.00 57.16 55.07 1u89 n GLU 885 Cb 0.45 -1.49 -0.03 0.00 -0.00 0.00 0.00 31.44 30.37 1u89 n GLU 885 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1u89 s GLN 886 N -1.68 2.96 -0.86 3.44 -0.21 -1.26 -5.00 119.66 117.04 1u89 s GLN 886 Ca 0.35 -1.08 -0.06 0.00 0.02 0.00 0.00 55.36 54.59 1u89 s GLN 886 Cb 0.22 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1u89 s GLN 886 CO 0.31 0.27 2.91 1.04 -2.12 0.00 0.00 175.29 177.70 1u89 n GLN 887 N -1.32 3.23 -1.17 2.91 1.13 -1.26 -4.59 117.38 116.30 1u89 n GLN 887 Ca -0.05 -2.32 -0.27 0.00 -1.94 0.00 0.00 57.00 52.41 1u89 n GLN 887 Cb 0.58 -2.40 0.09 0.00 0.11 0.00 0.00 30.24 28.63 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 2.10 2.35 0.00 -1.09 10.64 -1.26 -5.30 117.38 124.81 1u89 n GLN 888 Ca 0.58 -2.76 0.15 0.00 -1.83 0.00 0.00 57.00 53.14 1u89 n GLN 888 Cb 0.48 -2.08 0.69 0.00 -0.86 0.00 0.00 30.24 28.47 1u89 n GLN 888 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10