#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfh n PRO 728 N 0.00 1.16 -0.35 0.00 -0.02 -1.26 -4.87 135.00 129.67 2wfh n PRO 728 Ca 0.00 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 2wfh n PRO 728 Cb 0.00 -2.14 0.25 0.00 -0.02 0.00 0.00 33.50 31.60 2wfh n PRO 728 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2wfh h THR 729 N 1.02 0.92 0.00 3.45 2.02 -1.97 -2.02 112.91 116.34 2wfh h THR 729 Ca -0.47 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2wfh h THR 729 Cb 1.35 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2wfh h THR 729 CO 0.54 0.18 0.00 -0.62 0.37 0.00 0.00 175.52 175.98 2wfh n GLU 730 N -4.60 0.39 -4.43 6.66 4.71 -1.26 -4.88 120.64 117.24 2wfh n GLU 730 Ca 0.18 0.05 -0.21 0.00 -0.01 0.00 0.00 57.16 57.17 2wfh n GLU 730 Cb 0.35 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.18 2wfh n GLU 730 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wfh s THR 732 N -3.31 2.54 -0.12 0.00 -4.23 -0.18 -4.75 115.64 105.58 2wfh s THR 732 Ca 0.35 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 2wfh s THR 732 Cb 0.08 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.89 2wfh s THR 732 CO 0.14 0.30 -0.04 0.00 -0.54 0.00 0.00 174.62 174.48 2wfh s LEU 734 N 1.79 -0.47 -0.81 0.00 2.96 -0.63 -4.94 118.68 116.57 2wfh s LEU 734 Ca 0.04 0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 2wfh s LEU 734 Cb -0.13 0.98 0.00 0.00 0.50 0.00 0.00 46.19 47.54 2wfh s LEU 734 CO -0.07 -0.26 0.70 -0.67 -1.32 0.00 0.00 176.35 174.73 2wfh n ASP 735 N 5.36 -3.83 0.00 3.68 2.03 -1.26 -1.66 116.55 120.88 2wfh n ASP 735 Ca -0.06 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.89 2wfh n ASP 735 Cb 0.50 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2wfh n ASP 735 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wfh n THR 736 N -3.69 0.00 -3.93 5.18 -2.24 -1.26 -4.95 114.28 103.39 2wfh n THR 736 Ca -0.06 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 2wfh n THR 736 Cb 0.56 -0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 2wfh n THR 736 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wfh s VAL 737 N -1.36 4.67 -0.17 2.28 1.01 -0.66 -0.90 120.40 125.26 2wfh s VAL 737 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2wfh s VAL 737 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2wfh s VAL 737 CO 0.00 0.41 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 2wfh s VAL 738 N 0.79 2.16 -0.21 2.92 1.01 -0.03 -1.61 120.40 125.43 2wfh s VAL 738 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2wfh s VAL 738 Cb -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2wfh s VAL 738 CO 0.02 0.53 -0.10 -0.13 0.00 0.00 0.00 175.10 175.43 2wfh s ARG 739 N 1.20 3.20 -0.36 2.72 0.52 0.01 -1.32 118.95 124.91 2wfh s ARG 739 Ca 0.02 -0.73 0.12 0.00 -0.52 0.00 0.00 55.73 54.63 2wfh s ARG 739 Cb -0.14 -2.86 0.45 0.00 0.52 0.00 0.00 34.95 32.92 2wfh s ARG 739 CO -0.10 -0.22 1.06 0.00 0.02 0.00 0.00 175.30 176.05 2wfh s SER 741 N -3.41 7.42 -1.36 0.00 0.01 -1.24 -4.24 113.70 110.89 2wfh s SER 741 Ca 0.38 1.69 -0.06 0.00 1.31 0.00 0.00 55.95 59.27 2wfh s SER 741 Cb 0.42 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 64.15 2wfh s SER 741 CO -0.06 0.19 0.97 0.59 0.41 0.00 0.00 173.24 175.34 2wfh n ASN 742 N 1.51 -3.74 -0.33 2.44 3.02 -0.34 -4.91 115.26 112.91 2wfh n ASN 742 Ca -0.05 -0.69 0.03 0.00 -0.03 0.00 0.00 54.58 53.85 2wfh n ASN 742 Cb 0.48 -4.52 0.09 0.00 -0.61 0.00 0.00 39.78 35.22 2wfh n ASN 742 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wfh n LYS 743 N -4.55 2.87 -3.35 3.52 4.76 -1.26 -5.00 118.16 115.15 2wfh n LYS 743 Ca -0.12 -1.85 -0.19 0.00 -2.87 0.00 0.00 58.31 53.27 2wfh n LYS 743 Cb 0.60 -1.18 0.06 0.00 -1.84 0.00 0.00 35.03 32.68 2wfh n LYS 743 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wfh n GLY 744 N -0.08 -0.25 3.84 0.72 0.00 -1.26 -5.00 105.19 103.16 2wfh n GLY 744 Ca 0.07 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2wfh n GLY 744 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfh s LEU 745 N -6.02 4.46 0.00 0.99 1.43 -1.26 -4.78 118.68 113.50 2wfh s LEU 745 Ca 0.46 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2wfh s LEU 745 Cb -0.20 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2wfh s LEU 745 CO 0.57 0.31 0.35 2.29 0.23 0.00 0.00 176.35 180.09 2wfh n LYS 746 N 1.73 -0.60 -4.65 1.70 2.85 -1.26 0.39 118.16 118.32 2wfh n LYS 746 Ca -0.13 -0.35 -0.22 0.00 -1.05 0.00 0.00 58.31 56.56 2wfh n LYS 746 Cb 0.52 -0.84 -0.15 0.00 -0.65 0.00 0.00 35.03 33.91 2wfh n LYS 746 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wfh s VAL 747 N -0.01 1.11 0.12 0.58 1.01 -1.26 -4.71 120.40 117.23 2wfh s VAL 747 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.06 2wfh s VAL 747 Cb 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 36.38 35.34 2wfh s VAL 747 CO 0.00 0.31 1.77 -0.11 0.00 0.00 0.00 175.10 177.07 2wfh n LEU 748 N 2.74 3.78 -4.66 3.92 7.94 -1.26 -4.94 117.00 124.51 2wfh n LEU 748 Ca -0.14 1.02 -0.44 0.00 -1.11 0.00 0.00 56.01 55.34 2wfh n LEU 748 Cb 0.55 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 42.98 2wfh n LEU 748 CO 0.24 0.06 0.87 -2.65 -1.11 0.00 0.00 177.39 174.80 2wfh n PRO 749 N 4.98 1.92 -2.70 1.96 -0.02 -1.26 -4.98 135.00 134.90 2wfh n PRO 749 Ca 0.18 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 2wfh n PRO 749 Cb 0.34 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2wfh n PRO 749 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wfh s LYS 750 N -1.28 4.14 -0.31 -0.52 1.02 -1.26 -4.21 119.74 117.33 2wfh s LYS 750 Ca 0.61 1.27 -0.00 0.00 0.02 0.00 0.00 55.97 57.87 2wfh s LYS 750 Cb -0.63 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2wfh s LYS 750 CO 0.57 -0.12 0.05 0.41 -0.92 0.00 0.00 175.35 175.35 2wfh n GLY 751 N -0.23 0.33 3.75 -3.33 0.00 -1.26 -4.44 105.19 100.01 2wfh n GLY 751 Ca 0.07 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2wfh n GLY 751 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wfh s ILE 752 N -2.41 2.63 0.20 -0.61 1.01 -1.26 -4.09 121.20 116.67 2wfh s ILE 752 Ca 0.03 0.53 -0.32 0.00 0.00 0.00 0.00 60.65 60.89 2wfh s ILE 752 Cb -0.01 -3.34 -0.15 0.00 0.01 0.00 0.00 42.46 38.97 2wfh s ILE 752 CO 0.03 0.09 1.21 -2.65 0.00 0.00 0.00 174.94 173.62 2wfh n PRO 753 N 2.22 1.37 0.29 2.79 -0.01 -1.26 -4.87 135.00 135.54 2wfh n PRO 753 Ca 0.06 0.49 0.14 0.00 -0.01 0.00 0.00 63.50 64.18 2wfh n PRO 753 Cb 0.40 -2.01 0.86 0.00 -0.01 0.00 0.00 33.50 32.74 2wfh n PRO 753 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2wfh h ARG 754 N 3.46 0.00 -0.60 -0.52 2.47 -1.98 -2.69 114.38 114.52 2wfh h ARG 754 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2wfh h ARG 754 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2wfh h ARG 754 CO 0.71 0.02 0.00 -0.40 0.56 0.00 0.00 179.97 180.86 2wfh n ASP 755 N -3.88 3.28 -4.67 7.04 5.75 -1.26 -4.50 116.55 118.31 2wfh n ASP 755 Ca -0.03 -2.05 -0.45 0.00 -0.01 0.00 0.00 54.79 52.25 2wfh n ASP 755 Cb 0.11 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 2wfh n ASP 755 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2wfh n VAL 756 N 1.19 0.72 -0.04 2.12 3.14 -1.02 -4.86 118.33 119.58 2wfh n VAL 756 Ca 0.20 -0.18 -0.04 0.00 -2.96 0.00 0.00 64.34 61.36 2wfh n VAL 756 Cb 0.53 -1.47 -0.07 0.00 -1.06 0.00 0.00 33.84 31.77 2wfh n VAL 756 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wfh n THR 757 N 2.24 0.58 -4.01 1.55 -2.24 -0.08 -3.05 114.28 109.27 2wfh n THR 757 Ca 0.13 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 2wfh n THR 757 Cb 0.31 -0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 67.71 2wfh n THR 757 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wfh s GLU 758 N -2.27 1.35 -0.19 -0.78 2.02 -1.17 -0.58 118.70 117.08 2wfh s GLU 758 Ca -0.05 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.75 2wfh s GLU 758 Cb 0.03 -1.40 0.03 0.00 0.10 0.00 0.00 34.13 32.90 2wfh s GLU 758 CO 0.39 -0.21 -0.16 -1.17 0.02 0.00 0.00 175.26 174.12 2wfh s LEU 759 N 1.52 2.32 -0.38 1.80 2.96 -0.63 -0.85 118.68 125.42 2wfh s LEU 759 Ca 0.01 -0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 53.05 2wfh s LEU 759 Cb -0.13 -1.41 0.06 0.00 0.50 0.00 0.00 46.19 45.21 2wfh s LEU 759 CO -0.05 -0.07 0.18 -0.31 -1.32 0.00 0.00 176.35 174.78 2wfh s TYR 760 N 1.30 3.32 -0.22 5.38 2.02 -0.44 -1.21 117.35 127.51 2wfh s TYR 760 Ca 0.02 -1.55 0.11 0.00 -0.37 0.00 0.00 57.07 55.28 2wfh s TYR 760 Cb -0.15 -2.64 0.43 0.00 -0.40 0.00 0.00 41.96 39.20 2wfh s TYR 760 CO -0.10 -0.80 1.24 1.28 -1.57 0.00 0.00 175.55 175.60 2wfh n LEU 761 N 4.84 2.84 -4.77 -1.29 4.77 0.21 -1.13 117.00 122.48 2wfh n LEU 761 Ca -0.10 -3.89 -0.37 0.00 -0.03 0.00 0.00 56.01 51.61 2wfh n LEU 761 Cb 0.44 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2wfh n LEU 761 CO 0.35 1.39 0.82 1.51 -1.33 0.00 0.00 177.39 180.13 2wfh s ASP 762 N -3.17 6.12 -0.47 -1.43 -4.77 -1.04 -4.12 116.67 107.79 2wfh s ASP 762 Ca 0.39 2.29 -0.00 0.00 -3.30 0.00 0.00 52.55 51.92 2wfh s ASP 762 Cb 0.37 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.60 2wfh s ASP 762 CO -0.06 -0.95 0.02 0.61 0.70 0.00 0.00 175.17 175.49 2wfh n GLY 763 N 0.41 0.17 0.00 2.12 0.00 -0.46 -1.20 105.19 106.24 2wfh n GLY 763 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2wfh n GLY 763 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wfh n ASN 764 N 0.88 1.57 -1.65 1.61 3.02 -1.08 -3.60 115.26 116.01 2wfh n ASN 764 Ca -0.06 -0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 53.99 2wfh n ASN 764 Cb 0.55 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.80 2wfh n ASN 764 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wfh n GLN 765 N -0.08 2.65 -2.09 3.52 3.00 0.16 -4.30 117.38 120.24 2wfh n GLN 765 Ca 0.00 -3.74 -0.41 0.00 -0.01 0.00 0.00 57.00 52.84 2wfh n GLN 765 Cb 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 30.24 28.31 2wfh n GLN 765 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2wfh s PHE 766 N -3.33 3.08 -0.50 1.08 0.08 -1.20 -4.60 117.98 112.59 2wfh s PHE 766 Ca 0.44 1.21 0.16 0.00 0.12 0.00 0.00 56.93 58.86 2wfh s PHE 766 Cb 0.39 -3.73 -0.20 0.00 -0.57 0.00 0.00 43.02 38.91 2wfh s PHE 766 CO -0.01 -2.22 0.57 0.25 -0.10 0.00 0.00 175.22 173.71 2wfh n THR 767 N 1.85 0.00 -4.07 0.64 -2.24 -1.26 -0.16 114.28 109.04 2wfh n THR 767 Ca 0.04 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2wfh n THR 767 Cb 0.41 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 2wfh n THR 767 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wfh s LEU 768 N -3.24 2.39 -0.13 3.22 1.43 -1.26 -2.36 118.68 118.74 2wfh s LEU 768 Ca 0.02 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.02 2wfh s LEU 768 Cb 0.12 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.40 2wfh s LEU 768 CO 0.67 -0.44 1.21 -0.69 0.23 0.00 0.00 176.35 177.33 2wfh s VAL 769 N -2.87 4.32 0.31 -1.59 1.01 -1.26 -5.00 120.40 115.33 2wfh s VAL 769 Ca -0.01 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 2wfh s VAL 769 Cb 0.00 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2wfh s VAL 769 CO -0.05 -0.08 1.38 -2.65 0.00 0.00 0.00 175.10 173.69 2wfh n PRO 770 N 6.00 2.24 0.29 2.72 -0.02 -1.26 -4.87 135.00 140.10 2wfh n PRO 770 Ca 0.12 0.79 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 2wfh n PRO 770 Cb 0.46 -2.43 0.84 0.00 -0.02 0.00 0.00 33.50 32.35 2wfh n PRO 770 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wfh h LYS 771 N 3.29 0.00 0.00 -0.52 2.10 -1.94 -2.96 116.57 116.54 2wfh h LYS 771 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2wfh h LYS 771 Cb 1.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2wfh h LYS 771 CO 0.68 0.04 -0.06 0.93 -2.00 0.00 0.00 179.45 179.04 2wfh h GLU 772 N 0.00 0.00 -0.56 0.07 3.07 -1.96 -3.30 114.58 111.91 2wfh h GLU 772 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2wfh h GLU 772 Cb 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 2wfh h GLU 772 CO 0.01 0.06 0.38 -0.07 -1.40 0.00 0.00 179.01 177.99 2wfh h LEU 773 N 0.00 0.20 -2.47 1.33 3.38 -1.87 0.56 115.31 116.46 2wfh h LEU 773 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wfh h LEU 773 Cb 0.83 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2wfh h LEU 773 CO 0.01 0.12 0.16 0.28 0.09 0.00 0.00 178.44 179.10 2wfh h SER 774 N 0.22 0.00 0.02 -0.43 0.02 -1.82 -2.83 113.55 108.74 2wfh h SER 774 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2wfh h SER 774 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2wfh h SER 774 CO -0.05 0.00 -0.02 0.59 -1.14 0.00 0.00 176.83 176.21 2wfh n ASN 775 N -3.19 1.16 -4.26 3.07 3.02 0.20 -4.63 115.26 110.63 2wfh n ASN 775 Ca -0.02 -1.33 -0.44 0.00 -0.03 0.00 0.00 54.58 52.77 2wfh n ASN 775 Cb 0.24 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 2wfh n ASN 775 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wfh s TYR 776 N -2.05 3.54 -1.33 3.10 2.02 -1.07 -4.94 117.35 116.62 2wfh s TYR 776 Ca 0.38 -1.99 0.25 0.00 -0.37 0.00 0.00 57.07 55.35 2wfh s TYR 776 Cb 0.21 -3.64 1.21 0.00 -0.40 0.00 0.00 41.96 39.34 2wfh s TYR 776 CO 0.36 -0.97 1.82 0.36 -1.57 0.00 0.00 175.55 175.55 2wfh n LYS 777 N 4.28 0.28 -0.14 -0.62 2.85 -1.26 -2.53 118.16 121.01 2wfh n LYS 777 Ca 0.04 0.06 0.08 0.00 -1.05 0.00 0.00 58.31 57.43 2wfh n LYS 777 Cb 0.43 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.46 2wfh n LYS 777 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2wfh n HIS 778 N -1.33 0.38 -2.48 5.58 8.25 -1.26 -4.90 115.22 119.46 2wfh n HIS 778 Ca 0.10 -0.29 -0.43 0.00 -0.26 0.00 0.00 57.72 56.85 2wfh n HIS 778 Cb 0.22 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 2wfh n HIS 778 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2wfh s LEU 779 N -1.13 4.21 -0.00 2.41 2.96 -1.05 -4.30 118.68 121.78 2wfh s LEU 779 Ca 0.27 1.69 0.05 0.00 -0.22 0.00 0.00 54.13 55.91 2wfh s LEU 779 Cb 0.15 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 2wfh s LEU 779 CO 0.21 -0.67 0.17 0.35 -1.32 0.00 0.00 176.35 175.09 2wfh n THR 780 N 5.05 0.00 -4.13 3.68 -2.24 0.26 -4.04 114.28 112.86 2wfh n THR 780 Ca 0.12 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 2wfh n THR 780 Cb 0.46 0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 2wfh n THR 780 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wfh s LEU 781 N -2.72 1.44 -0.13 3.22 0.20 -0.95 -0.71 118.68 119.03 2wfh s LEU 781 Ca 0.00 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.75 2wfh s LEU 781 Cb 0.04 -0.37 0.01 0.00 -0.43 0.00 0.00 46.19 45.43 2wfh s LEU 781 CO 0.21 -0.04 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.38 2wfh s ILE 782 N 0.71 2.09 -0.32 6.68 1.01 -0.56 -1.61 121.20 129.22 2wfh s ILE 782 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 2wfh s ILE 782 Cb -0.12 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.59 2wfh s ILE 782 CO -0.00 0.55 0.02 -0.62 0.00 0.00 0.00 174.94 174.89 2wfh s ASP 783 N 0.67 4.85 -0.24 3.58 -1.08 -0.35 -1.75 116.67 122.35 2wfh s ASP 783 Ca -0.10 -1.53 0.13 0.00 -0.52 0.00 0.00 52.55 50.52 2wfh s ASP 783 Cb -0.16 -1.69 0.52 0.00 -1.46 0.00 0.00 42.92 40.13 2wfh s ASP 783 CO 0.01 -0.31 1.46 0.18 0.52 0.00 0.00 175.17 177.03 2wfh n LEU 784 N 4.53 4.09 -4.74 -1.34 4.77 -0.55 0.68 117.00 124.45 2wfh n LEU 784 Ca -0.09 -3.38 -0.35 0.00 -0.03 0.00 0.00 56.01 52.15 2wfh n LEU 784 Cb 0.43 -0.60 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2wfh n LEU 784 CO 0.26 0.95 0.82 -0.94 -1.33 0.00 0.00 177.39 177.15 2wfh s SER 785 N -2.19 4.65 -1.19 -1.43 1.04 -1.20 -3.75 113.70 109.62 2wfh s SER 785 Ca 0.44 2.36 -0.00 0.00 0.48 0.00 0.00 55.95 59.23 2wfh s SER 785 Cb 0.38 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.90 2wfh s SER 785 CO 0.05 -1.96 0.98 0.59 0.98 0.00 0.00 173.24 173.88 2wfh n ASN 786 N -2.23 -2.32 -0.49 7.02 3.02 -0.06 -1.35 115.26 118.84 2wfh n ASN 786 Ca 0.13 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2wfh n ASN 786 Cb 0.50 -5.07 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 2wfh n ASN 786 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wfh n ASN 787 N -3.13 1.88 -1.49 6.41 3.02 -1.11 -2.12 115.26 118.72 2wfh n ASN 787 Ca -0.27 -0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 53.92 2wfh n ASN 787 Cb 0.67 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.93 2wfh n ASN 787 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wfh n ARG 788 N 0.00 2.65 -2.53 3.52 1.74 0.78 -4.34 116.66 118.48 2wfh n ARG 788 Ca 0.00 -3.74 -0.43 0.00 -0.77 0.00 0.00 57.85 52.91 2wfh n ARG 788 Cb 0.00 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 2wfh n ARG 788 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wfh s ILE 789 N -3.90 4.45 -0.09 0.55 1.01 -1.03 -4.21 121.20 117.97 2wfh s ILE 789 Ca 0.44 1.75 0.14 0.00 0.00 0.00 0.00 60.65 62.99 2wfh s ILE 789 Cb 0.39 -4.13 -0.22 0.00 0.01 0.00 0.00 42.46 38.52 2wfh s ILE 789 CO -0.01 -0.11 0.34 -1.54 0.00 0.00 0.00 174.94 173.62 2wfh n SER 790 N 6.12 1.62 -3.98 3.58 3.41 -0.99 -0.24 113.62 123.13 2wfh n SER 790 Ca 0.12 -0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 2wfh n SER 790 Cb 0.46 1.59 -0.11 0.00 -0.26 0.00 0.00 64.21 65.89 2wfh n SER 790 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wfh s THR 791 N -2.92 0.12 0.27 6.66 -4.23 -1.26 -4.16 115.64 110.12 2wfh s THR 791 Ca -0.04 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.59 2wfh s THR 791 Cb 0.09 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 2wfh s THR 791 CO 0.59 -0.54 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.36 2wfh s LEU 792 N -1.61 3.17 0.34 4.79 1.43 -1.26 -4.53 118.68 121.01 2wfh s LEU 792 Ca -0.14 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 52.39 2wfh s LEU 792 Cb -0.08 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2wfh s LEU 792 CO -0.02 0.00 -0.09 -0.94 0.23 0.00 0.00 176.35 175.54 2wfh s SER 793 N -3.66 3.63 0.00 2.29 1.04 -1.26 -4.73 113.70 111.01 2wfh s SER 793 Ca 0.31 -1.21 0.15 0.00 0.48 0.00 0.00 55.95 55.69 2wfh s SER 793 Cb -0.06 -0.33 0.79 0.00 0.10 0.00 0.00 66.02 66.51 2wfh s SER 793 CO 0.20 -0.23 1.40 -0.46 0.98 0.00 0.00 173.24 175.12 2wfh n ASN 794 N -0.78 0.00 -0.02 7.02 0.23 -1.26 -2.08 115.26 118.37 2wfh n ASN 794 Ca -0.05 -0.04 0.10 0.00 -0.53 0.00 0.00 54.58 54.06 2wfh n ASN 794 Cb 0.64 -0.23 -0.10 0.00 -2.08 0.00 0.00 39.78 38.01 2wfh n ASN 794 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wfh n GLN 795 N -1.23 0.05 -0.32 -3.83 1.13 -1.26 -4.70 117.38 107.21 2wfh n GLN 795 Ca 0.08 -0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.22 2wfh n GLN 795 Cb 0.10 -1.50 0.29 0.00 0.11 0.00 0.00 30.24 29.25 2wfh n GLN 795 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2wfh h SER 796 N 0.09 0.60 0.00 1.08 0.02 -1.71 -2.29 113.55 111.33 2wfh h SER 796 Ca 0.00 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2wfh h SER 796 Cb 0.51 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2wfh h SER 796 CO 0.00 0.19 -0.53 0.49 -1.14 0.00 0.00 176.83 175.83 2wfh n PHE 797 N -4.87 0.00 -2.20 3.45 3.72 -1.26 -4.66 117.46 111.64 2wfh n PHE 797 Ca 0.21 -1.31 -0.37 0.00 -0.05 0.00 0.00 57.45 55.94 2wfh n PHE 797 Cb 0.56 -0.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2wfh n PHE 797 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2wfh s SER 798 N -3.02 6.06 -0.64 4.37 1.04 -0.87 -2.99 113.70 117.66 2wfh s SER 798 Ca 0.36 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.15 2wfh s SER 798 Cb 0.36 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2wfh s SER 798 CO -0.07 -1.00 0.00 0.59 0.98 0.00 0.00 173.24 173.74 2wfh n ASN 799 N -0.56 -4.81 -3.25 7.02 4.13 -1.26 -4.63 115.26 111.89 2wfh n ASN 799 Ca 0.08 0.15 -0.40 0.00 1.68 0.00 0.00 54.58 56.09 2wfh n ASN 799 Cb 0.48 -2.84 0.03 0.00 -1.54 0.00 0.00 39.78 35.90 2wfh n ASN 799 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2wfh n MET 800 N -1.39 4.07 0.29 3.52 2.81 -1.16 -4.77 117.12 120.49 2wfh n MET 800 Ca -0.06 -4.12 0.15 0.00 -1.81 0.00 0.00 57.70 51.86 2wfh n MET 800 Cb 0.38 -2.36 0.87 0.00 -0.71 0.00 0.00 33.22 31.40 2wfh n MET 800 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2wfh h THR 801 N 2.13 0.50 -0.00 2.03 1.35 -1.88 -1.89 112.91 115.14 2wfh h THR 801 Ca 0.54 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2wfh h THR 801 Cb 0.19 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2wfh h THR 801 CO 1.29 0.04 -0.14 0.00 -0.25 0.00 0.00 175.52 176.46 2wfh n GLN 802 N -3.72 0.48 -2.12 4.72 0.00 -1.26 -3.48 117.38 112.00 2wfh n GLN 802 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 57.00 56.40 2wfh n GLN 802 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 2wfh n GLN 802 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wfh s LEU 803 N -2.63 4.38 -0.17 2.61 2.96 -0.71 -4.59 118.68 120.52 2wfh s LEU 803 Ca 0.24 2.42 0.04 0.00 -0.22 0.00 0.00 54.13 56.61 2wfh s LEU 803 Cb 0.20 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 43.16 2wfh s LEU 803 CO 0.51 -0.67 -0.11 0.18 -1.32 0.00 0.00 176.35 174.94 2wfh n LEU 804 N 3.65 2.23 -3.85 -0.68 4.77 0.11 -2.09 117.00 121.14 2wfh n LEU 804 Ca 0.11 -0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2wfh n LEU 804 Cb 0.41 -0.38 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 2wfh n LEU 804 CO 0.59 0.69 -0.41 -0.89 -1.33 0.00 0.00 177.39 176.05 2wfh s THR 805 N -2.36 0.58 -0.18 -5.08 2.01 -0.45 -0.62 115.64 109.54 2wfh s THR 805 Ca -0.20 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2wfh s THR 805 Cb 0.06 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.96 2wfh s THR 805 CO 0.46 0.27 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.39 2wfh s LEU 806 N 1.45 1.74 -0.33 4.42 2.96 -0.86 -1.50 118.68 126.56 2wfh s LEU 806 Ca -0.02 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.09 2wfh s LEU 806 Cb -0.13 -0.92 0.07 0.00 0.50 0.00 0.00 46.19 45.71 2wfh s LEU 806 CO -0.03 -0.21 0.05 -0.63 -1.32 0.00 0.00 176.35 174.20 2wfh s ILE 807 N 1.62 2.95 -0.20 6.68 1.01 -0.72 -1.53 121.20 131.02 2wfh s ILE 807 Ca -0.01 -1.65 0.14 0.00 0.00 0.00 0.00 60.65 59.14 2wfh s ILE 807 Cb -0.16 -2.82 0.42 0.00 0.01 0.00 0.00 42.46 39.91 2wfh s ILE 807 CO -0.07 -0.29 1.29 0.18 0.00 0.00 0.00 174.94 176.05 2wfh n LEU 808 N 4.57 3.14 -4.71 2.97 4.77 0.95 -1.48 117.00 127.22 2wfh n LEU 808 Ca -0.09 -3.44 -0.42 0.00 -0.03 0.00 0.00 56.01 52.03 2wfh n LEU 808 Cb 0.43 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2wfh n LEU 808 CO 0.27 1.01 0.92 -1.20 -1.33 0.00 0.00 177.39 177.06 2wfh n SER 809 N -1.11 2.79 -3.16 -1.43 7.64 -1.20 -4.01 113.62 113.15 2wfh n SER 809 Ca 0.22 1.17 -0.14 0.00 1.01 0.00 0.00 58.87 61.12 2wfh n SER 809 Cb 0.79 -1.51 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 2wfh n SER 809 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2wfh n TYR 810 N 0.12 -2.21 -2.74 1.43 4.01 -0.44 -0.88 117.16 116.45 2wfh n TYR 810 Ca 0.05 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.61 2wfh n TYR 810 Cb 0.38 -4.25 0.00 0.00 -0.31 0.00 0.00 39.34 35.16 2wfh n TYR 810 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wfh n ASN 811 N -3.06 1.12 -1.31 7.72 3.02 -1.06 -2.27 115.26 119.42 2wfh n ASN 811 Ca -0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.41 2wfh n ASN 811 Cb 0.62 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.91 2wfh n ASN 811 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wfh n ARG 812 N 0.00 1.83 -2.37 3.52 1.74 0.66 -4.46 116.66 117.59 2wfh n ARG 812 Ca 0.00 -3.31 -0.40 0.00 -0.77 0.00 0.00 57.85 53.36 2wfh n ARG 812 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 2wfh n ARG 812 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wfh s LEU 813 N -2.82 4.51 0.13 0.55 1.43 -1.05 -4.34 118.68 117.10 2wfh s LEU 813 Ca 0.40 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2wfh s LEU 813 Cb 0.38 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.96 2wfh s LEU 813 CO -0.06 -0.26 0.00 -1.14 0.23 0.00 0.00 176.35 175.12 2wfh n ARG 814 N 1.06 0.00 -3.05 1.70 0.63 -1.26 -0.02 116.66 115.72 2wfh n ARG 814 Ca -0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.52 2wfh n ARG 814 Cb 0.44 -0.16 -0.05 0.00 0.45 0.00 0.00 32.46 33.14 2wfh n ARG 814 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wfh s ILE 816 N 1.40 3.88 0.40 0.00 1.01 -1.26 -4.47 121.20 122.16 2wfh s ILE 816 Ca 0.34 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 2wfh s ILE 816 Cb -0.17 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 2wfh s ILE 816 CO 0.14 -0.27 1.41 -2.65 0.00 0.00 0.00 174.94 173.57 2wfh n PRO 817 N 4.83 2.34 0.24 2.79 -0.02 -1.26 -4.59 135.00 139.33 2wfh n PRO 817 Ca -0.11 0.83 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 2wfh n PRO 817 Cb 0.44 -2.56 0.76 0.00 -0.02 0.00 0.00 33.50 32.12 2wfh n PRO 817 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wfh h PRO 818 N 2.55 0.00 -0.28 0.52 0.13 -1.96 -2.16 132.00 130.80 2wfh h PRO 818 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2wfh h PRO 818 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2wfh h PRO 818 CO 0.62 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.93 2wfh n ARG 819 N -4.21 2.92 -0.32 0.86 1.74 -1.26 -4.07 116.66 112.32 2wfh n ARG 819 Ca -0.01 -2.87 0.06 0.00 -0.77 0.00 0.00 57.85 54.26 2wfh n ARG 819 Cb 0.16 -1.86 0.22 0.00 -1.02 0.00 0.00 32.46 29.96 2wfh n ARG 819 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wfh h THR 820 N 1.82 0.83 -0.61 0.55 2.02 -1.65 -2.74 112.91 113.13 2wfh h THR 820 Ca 0.01 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2wfh h THR 820 Cb 1.48 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2wfh h THR 820 CO 0.24 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.77 2wfh n PHE 821 N -4.75 1.22 -1.71 3.16 3.72 -1.26 -4.34 117.46 113.50 2wfh n PHE 821 Ca 0.17 -0.59 -0.39 0.00 -0.05 0.00 0.00 57.45 56.59 2wfh n PHE 821 Cb 0.38 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2wfh n PHE 821 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wfh n ASP 822 N 1.06 2.36 0.00 4.37 9.92 -1.04 -2.65 116.55 130.58 2wfh n ASP 822 Ca 0.24 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 2wfh n ASP 822 Cb 0.78 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 2wfh n ASP 822 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wfh n GLY 823 N 0.85 2.53 2.52 0.44 0.00 -1.26 -4.80 105.19 105.46 2wfh n GLY 823 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2wfh n GLY 823 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wfh n LEU 824 N 0.00 7.94 0.11 0.99 4.77 -1.08 -4.28 117.00 125.44 2wfh n LEU 824 Ca 0.00 -4.64 0.12 0.00 -0.03 0.00 0.00 56.01 51.46 2wfh n LEU 824 Cb 0.00 -1.46 0.46 0.00 -2.33 0.00 0.00 43.42 40.09 2wfh n LEU 824 CO 0.00 1.88 0.87 0.29 -1.33 0.00 0.00 177.39 179.10 2wfh n LYS 825 N 2.95 0.21 0.00 3.23 4.76 -1.25 -2.55 118.16 125.50 2wfh n LYS 825 Ca 0.63 0.33 0.11 0.00 -2.87 0.00 0.00 58.31 56.50 2wfh n LYS 825 Cb 0.27 -1.83 0.04 0.00 -1.84 0.00 0.00 35.03 31.68 2wfh n LYS 825 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wfh n SER 826 N -2.21 1.31 -4.68 4.39 7.64 -1.23 -4.04 113.62 114.81 2wfh n SER 826 Ca 0.04 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 2wfh n SER 826 Cb 0.31 0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 2wfh n SER 826 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wfh s LEU 827 N -2.75 4.35 -0.17 -3.43 2.96 -0.89 -4.45 118.68 114.31 2wfh s LEU 827 Ca 0.14 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.50 2wfh s LEU 827 Cb 0.17 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 43.17 2wfh s LEU 827 CO 0.69 -0.87 -0.10 0.54 -1.32 0.00 0.00 176.35 175.29 2wfh n ARG 828 N 5.81 0.80 -4.79 1.98 1.74 0.21 -1.90 116.66 120.51 2wfh n ARG 828 Ca 0.16 0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 57.04 2wfh n ARG 828 Cb 0.41 -1.37 -0.17 0.00 -1.02 0.00 0.00 32.46 30.32 2wfh n ARG 828 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wfh s LEU 829 N -5.78 1.80 -0.05 0.55 1.43 -0.89 -1.04 118.68 114.70 2wfh s LEU 829 Ca -0.20 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2wfh s LEU 829 Cb 0.06 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.27 2wfh s LEU 829 CO 0.47 0.07 0.01 -0.22 0.23 0.00 0.00 176.35 176.92 2wfh s LEU 830 N 0.57 0.74 -0.19 1.79 2.96 -0.47 -2.03 118.68 122.05 2wfh s LEU 830 Ca -0.16 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2wfh s LEU 830 Cb -0.16 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.25 2wfh s LEU 830 CO 0.05 -0.16 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.22 2wfh s SER 831 N 1.60 3.54 -0.13 3.68 0.15 -0.58 -1.62 113.70 120.34 2wfh s SER 831 Ca -0.02 -0.55 0.17 0.00 0.70 0.00 0.00 55.95 56.26 2wfh s SER 831 Cb -0.13 -1.57 0.29 0.00 -1.71 0.00 0.00 66.02 62.91 2wfh s SER 831 CO -0.03 0.00 1.17 0.18 1.20 0.00 0.00 173.24 175.76 2wfh n LEU 832 N 4.62 2.48 -4.75 3.45 4.77 0.10 -0.03 117.00 127.63 2wfh n LEU 832 Ca -0.20 -3.00 -0.41 0.00 -0.03 0.00 0.00 56.01 52.37 2wfh n LEU 832 Cb 0.50 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2wfh n LEU 832 CO 0.27 0.69 1.00 -2.28 -1.33 0.00 0.00 177.39 175.75 2wfh s HIS 833 N -2.73 3.14 -0.05 -1.77 2.46 -1.06 -4.09 115.29 111.18 2wfh s HIS 833 Ca 0.31 1.26 -0.00 0.00 0.47 0.00 0.00 55.06 57.10 2wfh s HIS 833 Cb 0.27 -3.67 -0.00 0.00 -0.13 0.00 0.00 32.58 29.05 2wfh s HIS 833 CO 0.03 -2.01 0.04 0.41 -2.47 0.00 0.00 174.74 170.75 2wfh n GLY 834 N 1.72 0.47 0.00 1.59 0.00 0.62 -1.33 105.19 108.26 2wfh n GLY 834 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wfh n GLY 834 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wfh n ASN 835 N -1.17 0.66 -2.21 1.61 3.02 -1.13 -2.37 115.26 113.67 2wfh n ASN 835 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.35 2wfh n ASN 835 Cb 0.51 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 2wfh n ASN 835 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wfh n ASP 836 N 0.00 4.18 -4.67 6.41 8.00 0.97 -4.47 116.55 126.97 2wfh n ASP 836 Ca 0.00 -3.37 -0.41 0.00 0.71 0.00 0.00 54.79 51.72 2wfh n ASP 836 Cb 0.00 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2wfh n ASP 836 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wfh s ILE 837 N -4.45 4.95 -0.17 0.53 1.01 -1.12 -4.33 121.20 117.62 2wfh s ILE 837 Ca 0.46 1.45 0.13 0.00 0.00 0.00 0.00 60.65 62.68 2wfh s ILE 837 Cb 0.39 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.61 2wfh s ILE 837 CO 0.02 0.08 0.02 -1.20 0.00 0.00 0.00 174.94 173.86 2wfh n SER 838 N 4.98 1.15 -3.95 3.58 7.64 -1.26 -3.13 113.62 122.64 2wfh n SER 838 Ca 0.02 -0.02 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2wfh n SER 838 Cb 0.49 0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 64.26 2wfh n SER 838 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2wfh s VAL 839 N -2.40 0.89 -0.27 0.44 1.01 -1.26 -1.02 120.40 117.78 2wfh s VAL 839 Ca -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2wfh s VAL 839 Cb 0.05 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wfh s VAL 839 CO 0.65 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 175.33 2wfh s VAL 840 N 0.99 2.82 0.33 2.92 1.01 -1.26 -4.51 120.40 122.70 2wfh s VAL 840 Ca -0.09 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 2wfh s VAL 840 Cb -0.15 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 2wfh s VAL 840 CO 0.00 0.02 1.46 -2.16 0.00 0.00 0.00 175.10 174.42 2wfh s PRO 841 N 1.26 4.19 0.22 2.72 0.04 -1.26 -4.79 135.00 137.38 2wfh s PRO 841 Ca -0.04 2.45 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 2wfh s PRO 841 Cb -0.19 -3.02 -0.13 0.00 0.04 0.00 0.00 34.50 31.20 2wfh s PRO 841 CO -0.03 -0.45 1.50 -1.91 0.04 0.00 0.00 177.00 176.15 2wfh n GLU 842 N 1.09 2.20 -0.02 4.56 2.13 -1.26 -1.72 120.64 127.62 2wfh n GLU 842 Ca 0.03 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2wfh n GLU 842 Cb 0.40 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.60 2wfh n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wfh n GLY 843 N 2.62 0.34 0.22 8.31 0.00 -1.26 -4.95 105.19 110.47 2wfh n GLY 843 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2wfh n GLY 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfh h ALA 844 N 0.00 1.67 -0.52 4.61 0.00 -1.48 -2.01 119.26 121.53 2wfh h ALA 844 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wfh h ALA 844 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wfh h ALA 844 CO 0.00 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.69 2wfh n PHE 845 N -4.29 1.78 -0.35 0.00 3.01 -1.26 -4.39 117.46 111.96 2wfh n PHE 845 Ca -0.02 -0.75 -0.01 0.00 1.01 0.00 0.00 57.45 57.68 2wfh n PHE 845 Cb 0.26 -0.44 0.15 0.00 -0.01 0.00 0.00 39.48 39.43 2wfh n PHE 845 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2wfh h ASN 846 N 3.54 1.09 -0.01 4.37 4.21 -1.74 -1.50 115.58 125.53 2wfh h ASN 846 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2wfh h ASN 846 Cb 1.81 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.75 2wfh h ASN 846 CO 0.41 0.77 -0.00 0.47 -1.29 0.00 0.00 177.43 177.79 2wfh n ASP 847 N -4.41 1.50 -3.46 5.81 8.00 -1.26 -4.59 116.55 118.13 2wfh n ASP 847 Ca 0.12 -1.49 -0.40 0.00 0.71 0.00 0.00 54.79 53.73 2wfh n ASP 847 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2wfh n ASP 847 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wfh n LEU 848 N 0.17 7.72 0.16 0.64 4.77 -0.57 -3.97 117.00 125.92 2wfh n LEU 848 Ca 0.19 -5.01 0.13 0.00 -0.03 0.00 0.00 56.01 51.29 2wfh n LEU 848 Cb 0.36 -1.28 0.46 0.00 -2.33 0.00 0.00 43.42 40.63 2wfh n LEU 848 CO 0.17 2.03 0.89 0.77 -1.33 0.00 0.00 177.39 179.91 2wfh h SER 849 N 4.33 0.00 -0.02 -1.43 4.64 -1.81 -2.76 113.55 116.50 2wfh h SER 849 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2wfh h SER 849 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2wfh h SER 849 CO 1.34 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 177.08 2wfh n ALA 850 N -1.87 2.98 -2.01 5.18 0.00 -1.26 -4.98 120.51 118.55 2wfh n ALA 850 Ca 0.03 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 2wfh n ALA 850 Cb 0.34 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2wfh n ALA 850 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wfh s LEU 851 N -2.22 4.18 -0.11 0.00 2.96 -0.80 -4.33 118.68 118.36 2wfh s LEU 851 Ca 0.24 2.08 0.11 0.00 -0.22 0.00 0.00 54.13 56.33 2wfh s LEU 851 Cb 0.19 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 43.19 2wfh s LEU 851 CO 0.43 -1.05 0.07 -1.54 -1.32 0.00 0.00 176.35 172.94 2wfh n SER 852 N 7.65 2.00 -3.75 3.68 3.41 -0.20 -4.96 113.62 121.45 2wfh n SER 852 Ca 0.18 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.51 2wfh n SER 852 Cb 0.43 0.90 -0.16 0.00 -0.26 0.00 0.00 64.21 65.12 2wfh n SER 852 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2wfh s HIS 853 N -2.37 1.12 -0.17 7.33 3.76 -0.93 -4.31 115.29 119.72 2wfh s HIS 853 Ca -0.06 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 53.87 2wfh s HIS 853 Cb 0.04 -1.07 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 2wfh s HIS 853 CO 0.50 -0.63 -0.00 -1.17 -0.85 0.00 0.00 174.74 172.59 2wfh s LEU 854 N 1.83 3.39 -0.20 0.89 2.96 0.14 -1.37 118.68 126.31 2wfh s LEU 854 Ca -0.01 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2wfh s LEU 854 Cb -0.17 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2wfh s LEU 854 CO -0.08 0.15 -0.02 0.00 -1.32 0.00 0.00 176.35 175.08 2wfh s ALA 855 N 0.50 2.95 0.00 5.97 0.00 -0.64 -4.16 121.76 126.38 2wfh s ALA 855 Ca -0.01 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.03 2wfh s ALA 855 Cb -0.14 -1.71 0.18 0.00 0.00 0.00 0.00 23.12 21.45 2wfh s ALA 855 CO 0.02 -0.19 1.01 1.51 0.00 0.00 0.00 175.76 178.11 2wfh n ILE 856 N 4.33 0.00 -1.65 0.00 3.06 -1.26 0.01 119.36 123.84 2wfh n ILE 856 Ca -0.17 -0.41 -0.30 0.00 -2.50 0.00 0.00 62.75 59.36 2wfh n ILE 856 Cb 0.52 0.64 0.21 0.00 0.54 0.00 0.00 39.64 41.55 2wfh n ILE 856 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2wfh s GLY 857 N -1.29 1.73 -1.51 4.50 0.00 -1.26 -4.16 107.32 105.34 2wfh s GLY 857 Ca 0.14 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 2wfh s GLY 857 CO -0.07 -0.35 0.68 0.00 0.00 0.00 0.00 173.10 173.36 2wfh n ALA 858 N -4.16 -1.64 -2.81 3.20 0.00 -1.26 -0.27 120.51 113.56 2wfh n ALA 858 Ca 0.16 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2wfh n ALA 858 Cb 0.59 -2.75 -0.12 0.00 0.00 0.00 0.00 19.45 17.17 2wfh n ALA 858 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wfh s ASN 859 N -3.84 0.85 -1.52 0.00 0.01 -1.26 -2.85 114.94 106.33 2wfh s ASN 859 Ca 0.35 -0.40 -0.11 0.00 -0.71 0.00 0.00 52.86 51.99 2wfh s ASN 859 Cb -0.19 -0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.45 2wfh s ASN 859 CO 0.88 -0.10 2.59 -0.81 -1.51 0.00 0.00 177.10 178.15 2wfh n PRO 860 N 1.95 3.46 -1.71 -0.60 -0.04 -1.18 -4.69 135.00 132.19 2wfh n PRO 860 Ca -0.19 -2.52 -0.42 0.00 -0.04 0.00 0.00 63.50 60.32 2wfh n PRO 860 Cb 0.56 -2.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.01 2wfh n PRO 860 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wfh n LEU 861 N 4.37 3.97 -4.32 1.53 4.77 -1.21 -4.07 117.00 122.04 2wfh n LEU 861 Ca 0.65 1.04 -0.44 0.00 -0.03 0.00 0.00 56.01 57.24 2wfh n LEU 861 Cb 0.30 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 39.75 2wfh n LEU 861 CO 0.86 0.16 0.03 -0.47 -1.33 0.00 0.00 177.39 176.64 2wfh s TYR 862 N 1.53 3.29 -1.22 -1.77 5.04 -0.19 -0.24 117.35 123.80 2wfh s TYR 862 Ca 0.77 -1.27 -0.09 0.00 -2.44 0.00 0.00 57.07 54.04 2wfh s TYR 862 Cb -0.51 -3.37 0.21 0.00 0.35 0.00 0.00 41.96 38.64 2wfh s TYR 862 CO 0.34 -0.90 1.71 0.00 -1.34 0.00 0.00 175.55 175.36 2wfh n ASP 864 N 3.40 0.36 0.31 0.00 5.68 -1.26 -4.41 116.55 120.63 2wfh n ASP 864 Ca 0.36 -0.99 0.21 0.00 -0.50 0.00 0.00 54.79 53.86 2wfh n ASP 864 Cb 0.36 0.00 1.12 0.00 -1.14 0.00 0.00 41.12 41.47 2wfh n ASP 864 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wfh n ASN 866 N -2.95 0.47 -0.61 0.00 4.13 -1.26 -2.74 115.26 112.30 2wfh n ASN 866 Ca -0.03 0.56 0.09 0.00 1.68 0.00 0.00 54.58 56.89 2wfh n ASN 866 Cb 0.07 -0.68 0.05 0.00 -1.54 0.00 0.00 39.78 37.67 2wfh n ASN 866 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2wfh n MET 867 N -1.96 1.59 -0.30 3.52 1.56 -0.80 -4.44 117.12 116.30 2wfh n MET 867 Ca 0.05 -1.32 0.02 0.00 -0.27 0.00 0.00 57.70 56.18 2wfh n MET 867 Cb 0.34 -1.35 0.15 0.00 2.15 0.00 0.00 33.22 34.52 2wfh n MET 867 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 2wfh h GLN 868 N 3.00 0.89 -0.55 2.12 4.15 -1.52 -1.67 115.11 121.53 2wfh h GLN 868 Ca 0.00 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.43 2wfh h GLN 868 Cb 0.71 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2wfh h GLN 868 CO 0.00 0.59 0.37 0.11 -1.93 0.00 0.00 178.83 177.96 2wfh h TRP 869 N 0.91 0.49 0.11 3.99 5.08 -1.82 -1.68 115.95 123.04 2wfh h TRP 869 Ca 0.38 0.01 -0.30 0.00 1.08 0.00 0.00 58.89 60.07 2wfh h TRP 869 Cb 0.24 -0.16 0.03 0.00 -3.00 0.00 0.00 29.16 26.26 2wfh h TRP 869 CO -0.04 0.26 -1.23 1.25 -1.28 0.00 0.00 178.44 177.40 2wfh h LEU 870 N 0.48 0.87 -0.36 0.11 5.85 -1.65 -0.85 115.31 119.77 2wfh h LEU 870 Ca 0.24 -0.79 0.08 0.00 0.84 0.00 0.00 57.88 58.24 2wfh h LEU 870 Cb 0.33 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2wfh h LEU 870 CO -0.07 1.60 -0.15 -1.28 -0.34 0.00 0.00 178.44 178.20 2wfh h SER 871 N 0.28 -0.52 -0.68 1.25 0.87 -1.14 -0.46 113.55 113.15 2wfh h SER 871 Ca -0.18 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2wfh h SER 871 Cb 1.90 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 64.12 2wfh h SER 871 CO 0.24 -0.18 0.36 0.44 -0.53 0.00 0.00 176.83 177.15 2wfh h ASP 872 N -0.08 0.87 0.08 6.23 3.32 -1.24 -2.89 116.42 122.71 2wfh h ASP 872 Ca 0.18 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2wfh h ASP 872 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2wfh h ASP 872 CO -0.41 0.72 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.54 2wfh h TRP 873 N 0.94 -0.10 0.00 4.55 7.01 -0.52 -2.85 115.95 124.99 2wfh h TRP 873 Ca 0.24 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2wfh h TRP 873 Cb 0.06 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2wfh h TRP 873 CO -0.00 0.12 -0.05 -0.39 -2.79 0.00 0.00 178.44 175.32 2wfh h VAL 874 N -0.31 0.68 0.00 2.65 -1.51 -1.12 -3.01 116.25 113.64 2wfh h VAL 874 Ca -0.01 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2wfh h VAL 874 Cb 0.26 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2wfh h VAL 874 CO 0.02 0.05 0.00 0.29 -1.23 0.00 0.00 177.57 176.70 2wfh n LYS 875 N -3.96 0.76 -3.74 5.19 5.02 -1.07 -2.70 118.16 117.66 2wfh n LYS 875 Ca -0.03 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 2wfh n LYS 875 Cb 0.14 -1.42 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 2wfh n LYS 875 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wfh s SER 876 N -1.89 5.34 -1.59 4.39 0.15 -1.14 -4.67 113.70 114.30 2wfh s SER 876 Ca 0.31 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.77 2wfh s SER 876 Cb 0.14 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2wfh s SER 876 CO 0.24 -0.02 0.48 -0.62 1.20 0.00 0.00 173.24 174.52 2wfh n GLU 877 N 4.85 -4.21 -3.78 5.44 -0.58 -1.26 -3.69 120.64 117.41 2wfh n GLU 877 Ca -0.16 0.92 -0.25 0.00 -0.42 0.00 0.00 57.16 57.26 2wfh n GLU 877 Cb 0.52 -5.72 0.01 0.00 -0.57 0.00 0.00 31.44 25.68 2wfh n GLU 877 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2wfh n TYR 878 N -4.41 -1.82 0.24 -0.32 4.01 -1.25 -4.87 117.16 108.73 2wfh n TYR 878 Ca -0.14 0.73 0.13 0.00 -0.16 0.00 0.00 57.90 58.46 2wfh n TYR 878 Cb 0.63 -3.96 0.43 0.00 -0.31 0.00 0.00 39.34 36.14 2wfh n TYR 878 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2wfh h LYS 879 N -1.84 0.00 -5.85 -0.72 1.57 -1.58 -3.43 116.57 104.71 2wfh h LYS 879 Ca -0.63 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.56 2wfh h LYS 879 Cb 1.36 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.38 2wfh h LYS 879 CO 0.57 0.08 -0.85 -2.00 -0.57 0.00 0.00 179.45 176.68 2wfh s GLU 880 N -3.47 1.66 -0.18 3.15 -6.30 -1.26 0.24 118.70 112.53 2wfh s GLU 880 Ca 0.03 -0.70 0.01 0.00 -2.50 0.00 0.00 54.97 51.81 2wfh s GLU 880 Cb 0.08 -1.58 0.25 0.00 0.00 0.00 0.00 34.13 32.88 2wfh s GLU 880 CO 0.62 0.40 1.42 -0.35 0.02 0.00 0.00 175.26 177.37 2wfh n PRO 881 N 2.67 1.50 -3.13 4.30 -0.04 -1.26 -4.86 135.00 134.19 2wfh n PRO 881 Ca -0.16 -1.18 -0.17 0.00 -0.04 0.00 0.00 63.50 61.96 2wfh n PRO 881 Cb 0.53 -1.46 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2wfh n PRO 881 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wfh n GLY 882 N -0.07 -0.16 0.46 0.55 0.00 -1.26 -4.91 105.19 99.80 2wfh n GLY 882 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2wfh n GLY 882 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wfh n ILE 883 N -4.28 0.19 -1.85 -0.61 5.41 -1.26 -5.03 119.36 111.93 2wfh n ILE 883 Ca -0.03 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.25 2wfh n ILE 883 Cb 0.56 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 38.38 2wfh n ILE 883 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wfh s ALA 884 N -2.06 3.74 0.04 -1.39 0.00 -1.26 -4.76 121.76 116.07 2wfh s ALA 884 Ca -0.05 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2wfh s ALA 884 Cb 0.02 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 2wfh s ALA 884 CO 0.07 -0.90 -0.12 1.03 0.00 0.00 0.00 175.76 175.84 2wfh s ARG 885 N -0.16 0.76 0.20 0.00 0.52 -1.26 -1.79 118.95 117.21 2wfh s ARG 885 Ca 0.64 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.78 2wfh s ARG 885 Cb -0.46 -0.70 -0.10 0.00 0.52 0.00 0.00 34.95 34.20 2wfh s ARG 885 CO 0.44 0.16 1.55 0.00 0.02 0.00 0.00 175.30 177.47 2wfh h ALA 887 N 6.19 0.73 0.00 0.00 0.00 -0.87 0.64 119.26 125.95 2wfh h ALA 887 Ca -0.44 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2wfh h ALA 887 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wfh h ALA 887 CO 0.87 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.35 2wfh n GLY 888 N 0.52 -0.54 3.86 0.00 0.00 -1.21 -4.48 105.19 103.35 2wfh n GLY 888 Ca -0.03 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 2wfh n GLY 888 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wfh s PRO 889 N -0.74 3.26 1.62 1.61 0.04 -1.26 -0.59 135.00 138.93 2wfh s PRO 889 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2wfh s PRO 889 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2wfh s PRO 889 CO 0.00 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2wfh n GLY 890 N -2.70 2.60 0.28 0.56 0.00 -1.26 -1.21 105.19 103.46 2wfh n GLY 890 Ca 0.06 0.24 0.18 0.00 0.00 0.00 0.00 46.02 46.50 2wfh n GLY 890 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wfh h GLU 891 N 0.00 0.00 0.00 1.61 5.08 -1.99 -1.24 114.58 118.04 2wfh h GLU 891 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wfh h GLU 891 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wfh h GLU 891 CO 0.00 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 2wfh n MET 892 N -2.76 0.14 -1.50 2.33 2.81 -0.35 -4.87 117.12 112.92 2wfh n MET 892 Ca -0.02 0.25 -0.59 0.00 -1.81 0.00 0.00 57.70 55.53 2wfh n MET 892 Cb 0.10 -1.71 -0.09 0.00 -0.71 0.00 0.00 33.22 30.82 2wfh n MET 892 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wfh n ALA 893 N -1.67 -1.16 -0.91 3.04 0.00 -0.47 -1.51 120.51 117.82 2wfh n ALA 893 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2wfh n ALA 893 Cb 0.30 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2wfh n ALA 893 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wfh n ASP 894 N 3.46 -3.15 -4.74 0.00 8.00 0.22 -4.98 116.55 115.36 2wfh n ASP 894 Ca 0.27 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 2wfh n ASP 894 Cb -0.05 -1.91 -0.05 0.00 -0.02 0.00 0.00 41.12 39.09 2wfh n ASP 894 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wfh s LYS 895 N -0.93 4.76 0.26 -1.24 1.02 -0.57 -4.72 119.74 118.32 2wfh s LYS 895 Ca 0.00 1.52 -0.31 0.00 0.02 0.00 0.00 55.97 57.20 2wfh s LYS 895 Cb 0.00 -3.31 -0.12 0.00 -0.52 0.00 0.00 37.83 33.88 2wfh s LYS 895 CO 0.00 0.33 1.64 1.28 -0.92 0.00 0.00 175.35 177.69 2wfh n LEU 896 N 2.07 4.24 -0.18 3.17 4.77 -1.26 -0.47 117.00 129.34 2wfh n LEU 896 Ca 0.00 1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 57.08 2wfh n LEU 896 Cb 0.48 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.06 2wfh n LEU 896 CO 0.51 0.16 0.99 0.25 -1.33 0.00 0.00 177.39 177.97 2wfh h LEU 897 N 5.46 0.25 -0.14 2.23 5.85 -1.70 -2.83 115.31 124.43 2wfh h LEU 897 Ca -0.46 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2wfh h LEU 897 Cb 1.22 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2wfh h LEU 897 CO 0.85 0.17 -0.18 0.25 -0.34 0.00 0.00 178.44 179.18 2wfh h LEU 898 N 0.42 -0.57 0.00 2.25 5.85 -1.92 -3.35 115.31 117.99 2wfh h LEU 898 Ca 0.26 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2wfh h LEU 898 Cb 0.27 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wfh h LEU 898 CO -0.24 -0.23 -1.14 0.35 -0.34 0.00 0.00 178.44 176.84 2wfh n THR 899 N -5.33 0.00 -2.03 1.05 -2.24 -1.23 -4.68 114.28 99.82 2wfh n THR 899 Ca -0.03 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2wfh n THR 899 Cb 0.24 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2wfh n THR 899 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wfh s THR 900 N -2.64 3.08 0.20 4.28 2.01 -1.07 -4.91 115.64 116.58 2wfh s THR 900 Ca 0.00 0.67 -0.33 0.00 0.31 0.00 0.00 61.69 62.34 2wfh s THR 900 Cb 0.10 -3.43 -0.13 0.00 0.01 0.00 0.00 72.50 69.05 2wfh s THR 900 CO 0.58 0.03 1.64 -2.65 -0.69 0.00 0.00 174.62 173.53 2wfh n PRO 901 N 4.72 2.49 -0.38 4.92 -0.02 -1.26 -4.87 135.00 140.60 2wfh n PRO 901 Ca 0.14 0.90 0.31 0.00 -2.02 0.00 0.00 63.50 62.82 2wfh n PRO 901 Cb 0.41 -2.70 0.60 0.00 -0.02 0.00 0.00 33.50 31.79 2wfh n PRO 901 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2wfh h SER 902 N 6.19 0.30 -0.01 2.55 0.02 -1.93 -0.11 113.55 120.57 2wfh h SER 902 Ca -0.44 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2wfh h SER 902 Cb 1.23 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 2wfh h SER 902 CO 0.91 -0.03 0.03 0.07 -1.14 0.00 0.00 176.83 176.66 2wfh h LYS 903 N 0.22 0.00 0.00 3.45 2.10 -1.97 -2.21 116.57 118.15 2wfh h LYS 903 Ca 0.69 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 2wfh h LYS 903 Cb 2.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 2wfh h LYS 903 CO -0.31 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.77 2wfh n LYS 904 N -3.30 0.16 -2.91 0.07 4.76 -0.05 -4.57 118.16 112.32 2wfh n LYS 904 Ca -0.03 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.98 2wfh n LYS 904 Cb 0.10 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 2wfh n LYS 904 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wfh s PHE 905 N -2.84 2.89 0.25 2.13 0.08 -0.83 -4.95 117.98 114.70 2wfh s PHE 905 Ca 0.19 -0.96 0.06 0.00 0.12 0.00 0.00 56.93 56.34 2wfh s PHE 905 Cb 0.19 -4.27 -0.05 0.00 -0.57 0.00 0.00 43.02 38.32 2wfh s PHE 905 CO 0.50 -1.55 -0.06 0.95 -0.10 0.00 0.00 175.22 174.97 2wfh s THR 906 N 3.35 1.44 0.00 0.64 -4.23 -1.26 -3.70 115.64 111.88 2wfh s THR 906 Ca 0.26 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2wfh s THR 906 Cb -0.12 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2wfh s THR 906 CO 0.01 -0.38 0.41 0.00 -0.54 0.00 0.00 174.62 174.12