#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 1.56 0.24 0.00 -0.02 -1.23 -4.87 135.00 130.67 2wfh n PRO 728 Ca 0.00 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 2wfh n PRO 728 Cb 0.00 -2.11 0.82 0.00 -0.02 0.00 0.00 33.50 32.20 2wfh n PRO 728 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wfh h THR 729 N 1.85 0.59 -0.03 3.45 1.03 -1.95 -1.51 112.91 116.35 2wfh h THR 729 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2wfh h THR 729 Cb 1.32 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2wfh h THR 729 CO 0.59 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 175.48 2wfh n GLU 730 N -3.98 1.46 -4.36 0.00 4.71 -1.26 -4.94 120.64 112.27 2wfh n GLU 730 Ca -0.00 -0.67 -0.18 0.00 -0.01 0.00 0.00 57.16 56.30 2wfh n GLU 730 Cb 0.21 -1.47 -0.10 0.00 -1.01 0.00 0.00 31.44 29.07 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 -3.60 1.94 -0.05 0.00 -4.23 -0.24 -4.79 115.64 104.67 2wfh s THR 732 Ca 0.37 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 2wfh s THR 732 Cb 0.08 -1.61 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 2wfh s THR 732 CO 0.14 0.55 -0.18 0.00 -0.54 0.00 0.00 174.62 174.59 2wfh s LEU 734 N 0.03 0.11 -0.67 0.00 2.96 -0.17 -4.99 118.68 115.96 2wfh s LEU 734 Ca -0.04 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 2wfh s LEU 734 Cb -0.12 -0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.54 2wfh s LEU 734 CO 0.02 -0.26 0.40 -0.90 -1.32 0.00 0.00 176.35 174.29 2wfh n ASP 735 N 5.30 -2.64 0.00 3.68 3.85 -1.26 -0.92 116.55 124.57 2wfh n ASP 735 Ca -0.04 -0.74 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 2wfh n ASP 735 Cb 0.50 -0.97 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 2wfh n ASP 735 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2wfh n THR 736 N -2.93 0.00 -3.51 2.12 -2.24 -1.26 -4.98 114.28 101.48 2wfh n THR 736 Ca -0.11 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 2wfh n THR 736 Cb 0.37 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.34 5.27 -0.18 2.28 1.01 -0.09 -1.01 120.40 124.34 2wfh s VAL 737 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2wfh s VAL 737 Cb 0.00 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.79 2wfh s VAL 737 CO 0.00 0.30 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2wfh s VAL 738 N 1.17 1.63 -0.16 2.92 1.01 -0.44 -1.00 120.40 125.53 2wfh s VAL 738 Ca 0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2wfh s VAL 738 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wfh s VAL 738 CO 0.06 0.30 -0.08 -0.60 0.00 0.00 0.00 175.10 174.78 2wfh s ARG 739 N 1.43 3.47 -0.30 2.72 3.52 -0.03 -1.19 118.95 128.57 2wfh s ARG 739 Ca 0.02 -0.62 0.18 0.00 -0.13 0.00 0.00 55.73 55.17 2wfh s ARG 739 Cb -0.15 -2.81 0.48 0.00 -1.56 0.00 0.00 34.95 30.91 2wfh s ARG 739 CO -0.09 0.12 1.07 0.00 -0.81 0.00 0.00 175.30 175.59 2wfh s SER 741 N -3.56 7.55 -1.35 0.00 0.01 -1.24 -4.16 113.70 110.96 2wfh s SER 741 Ca 0.32 1.97 -0.05 0.00 1.31 0.00 0.00 55.95 59.50 2wfh s SER 741 Cb 0.38 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 64.02 2wfh s SER 741 CO -0.02 0.06 0.94 0.59 0.41 0.00 0.00 173.24 175.22 2wfh n ASN 742 N 1.73 -3.37 -0.32 2.44 3.02 -0.32 -4.91 115.26 113.54 2wfh n ASN 742 Ca -0.01 -0.70 0.03 0.00 -0.03 0.00 0.00 54.58 53.87 2wfh n ASN 742 Cb 0.47 -4.47 0.09 0.00 -0.61 0.00 0.00 39.78 35.25 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 -4.50 2.85 -2.45 3.52 4.76 -1.25 -5.00 118.16 116.08 2wfh n LYS 743 Ca -0.15 -1.86 -0.17 0.00 -2.87 0.00 0.00 58.31 53.26 2wfh n LYS 743 Cb 0.61 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.13 -0.29 3.81 0.72 0.00 -1.26 -4.99 105.19 103.05 2wfh n GLY 744 Ca 0.07 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.86 4.32 0.00 0.99 1.43 -1.26 -4.75 118.68 114.55 2wfh s LEU 745 Ca 0.06 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2wfh s LEU 745 Cb -0.03 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2wfh s LEU 745 CO 0.08 -0.01 0.18 2.29 0.23 0.00 0.00 176.35 179.11 2wfh n LYS 746 N 0.59 4.00 -4.13 1.70 2.85 -1.26 -0.06 118.16 121.85 2wfh n LYS 746 Ca -0.01 -0.18 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 2wfh n LYS 746 Cb 0.51 -0.67 -0.11 0.00 -0.65 0.00 0.00 35.03 34.12 2wfh n LYS 746 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2wfh s VAL 747 N -0.62 0.65 0.33 0.58 -7.23 -1.26 -4.61 120.40 108.24 2wfh s VAL 747 Ca 0.00 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 2wfh s VAL 747 Cb 0.00 -1.26 -0.12 0.00 0.56 0.00 0.00 36.38 35.55 2wfh s VAL 747 CO 0.00 -0.67 1.32 0.18 -0.31 0.00 0.00 175.10 175.62 2wfh n LEU 748 N 0.56 3.55 -4.77 1.32 4.77 -1.26 -4.95 117.00 116.23 2wfh n LEU 748 Ca -0.16 1.20 -0.40 0.00 -0.03 0.00 0.00 56.01 56.62 2wfh n LEU 748 Cb 0.58 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.20 2wfh n LEU 748 CO 0.26 -0.45 1.07 -2.84 -1.33 0.00 0.00 177.39 174.10 2wfh s PRO 749 N -1.66 3.73 0.37 3.23 0.02 -1.26 -5.00 135.00 134.42 2wfh s PRO 749 Ca 0.57 2.41 -0.25 0.00 0.02 0.00 0.00 61.00 63.75 2wfh s PRO 749 Cb -0.57 -2.68 -0.09 0.00 0.02 0.00 0.00 34.50 31.17 2wfh s PRO 749 CO 0.60 -0.78 1.02 0.15 -0.33 0.00 0.00 177.00 177.67 2wfh s LYS 750 N -2.41 4.34 0.00 5.54 1.02 -1.26 -4.28 119.74 122.68 2wfh s LYS 750 Ca 0.60 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.08 2wfh s LYS 750 Cb -0.43 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2wfh s LYS 750 CO 0.56 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 2wfh n GLY 751 N 0.47 1.24 3.71 -3.33 0.00 -1.26 -4.41 105.19 101.61 2wfh n GLY 751 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 2.87 0.53 -0.61 1.01 -1.26 -3.57 121.20 118.17 2wfh s ILE 752 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 60.65 61.03 2wfh s ILE 752 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2wfh s ILE 752 CO 0.00 0.04 1.27 -2.16 0.00 0.00 0.00 174.94 174.09 2wfh s PRO 753 N 1.30 3.30 0.58 2.79 0.04 -1.26 -4.88 135.00 136.86 2wfh s PRO 753 Ca 0.69 2.01 0.36 0.00 0.04 0.00 0.00 61.00 64.09 2wfh s PRO 753 Cb -0.41 -2.24 1.68 0.00 0.04 0.00 0.00 34.50 33.57 2wfh s PRO 753 CO 0.31 -0.99 2.11 0.07 0.04 0.00 0.00 177.00 178.53 2wfh h ARG 754 N 1.53 0.00 -0.64 4.56 0.11 -1.98 -2.62 114.38 115.33 2wfh h ARG 754 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2wfh h ARG 754 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2wfh h ARG 754 CO 0.58 0.03 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 2wfh n ASP 755 N -3.18 4.39 -4.74 0.08 5.75 -1.26 -4.49 116.55 113.10 2wfh n ASP 755 Ca -0.01 -2.46 -0.42 0.00 -0.01 0.00 0.00 54.79 51.89 2wfh n ASP 755 Cb 0.23 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.90 1.29 -0.03 2.12 3.14 -0.99 -4.81 118.33 119.96 2wfh n VAL 756 Ca 0.23 -0.32 -0.04 0.00 -2.96 0.00 0.00 64.34 61.24 2wfh n VAL 756 Cb 0.85 -1.88 -0.04 0.00 -1.06 0.00 0.00 33.84 31.70 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 1.62 0.44 -4.43 1.55 -2.24 -0.18 -2.46 114.28 108.57 2wfh n THR 757 Ca 0.07 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 2wfh n THR 757 Cb 0.37 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.15 1.38 -0.17 -0.78 2.02 -1.17 -1.04 118.70 116.79 2wfh s GLU 758 Ca -0.07 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 2wfh s GLU 758 Cb 0.02 -1.20 0.04 0.00 0.10 0.00 0.00 34.13 33.09 2wfh s GLU 758 CO 0.22 -0.01 -0.06 -1.17 0.02 0.00 0.00 175.26 174.26 2wfh s LEU 759 N 0.76 1.65 -0.36 1.80 2.96 -0.42 -1.32 118.68 123.75 2wfh s LEU 759 Ca -0.13 -0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 2wfh s LEU 759 Cb -0.15 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.63 2wfh s LEU 759 CO 0.02 -0.18 0.18 -0.31 -1.32 0.00 0.00 176.35 174.74 2wfh s TYR 760 N 1.62 3.23 -0.16 5.38 2.02 -0.34 -1.34 117.35 127.76 2wfh s TYR 760 Ca 0.01 -0.98 0.16 0.00 -0.37 0.00 0.00 57.07 55.89 2wfh s TYR 760 Cb -0.15 -2.40 0.36 0.00 -0.40 0.00 0.00 41.96 39.36 2wfh s TYR 760 CO -0.08 -0.63 1.21 1.28 -1.57 0.00 0.00 175.55 175.76 2wfh n LEU 761 N 4.96 2.69 -4.77 -1.29 4.77 0.58 -0.12 117.00 123.82 2wfh n LEU 761 Ca -0.12 -3.30 -0.37 0.00 -0.03 0.00 0.00 56.01 52.19 2wfh n LEU 761 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2wfh n LEU 761 CO 0.35 0.89 0.87 1.51 -1.33 0.00 0.00 177.39 179.68 2wfh s ASP 762 N -2.84 5.96 -0.45 -1.43 -4.77 -1.06 -3.98 116.67 108.10 2wfh s ASP 762 Ca 0.35 2.42 -0.02 0.00 -3.30 0.00 0.00 52.55 51.99 2wfh s ASP 762 Cb 0.31 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.53 2wfh s ASP 762 CO 0.01 -1.07 0.32 0.61 0.70 0.00 0.00 175.17 175.74 2wfh n GLY 763 N 0.51 0.43 0.00 2.12 0.00 -0.43 -1.17 105.19 106.64 2wfh n GLY 763 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.17 1.72 -1.95 1.61 3.02 -1.11 -3.03 115.26 115.68 2wfh n ASN 764 Ca -0.01 -0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 2wfh n ASN 764 Cb 0.52 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.00 2.67 -1.97 3.52 3.00 0.92 -4.30 117.38 121.22 2wfh n GLN 765 Ca 0.00 -3.76 -0.41 0.00 -0.01 0.00 0.00 57.00 52.82 2wfh n GLN 765 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 30.24 28.33 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 -3.37 2.89 -0.61 1.08 0.08 -1.19 -4.53 117.98 112.32 2wfh s PHE 766 Ca 0.43 1.17 0.14 0.00 0.12 0.00 0.00 56.93 58.79 2wfh s PHE 766 Cb 0.38 -3.85 -0.16 0.00 -0.57 0.00 0.00 43.02 38.82 2wfh s PHE 766 CO -0.01 -2.57 0.58 -2.37 -0.10 0.00 0.00 175.22 170.75 2wfh n THR 767 N 1.29 0.00 -3.86 0.64 5.66 -1.26 -0.40 114.28 116.35 2wfh n THR 767 Ca 0.03 -0.18 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 2wfh n THR 767 Cb 0.40 0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 70.05 2wfh n THR 767 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2wfh s LEU 768 N -2.77 1.12 -0.31 1.09 1.43 -1.26 -3.60 118.68 114.38 2wfh s LEU 768 Ca 0.04 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2wfh s LEU 768 Cb 0.11 1.21 0.01 0.00 0.03 0.00 0.00 46.19 47.55 2wfh s LEU 768 CO 0.58 -0.80 1.13 -0.69 0.23 0.00 0.00 176.35 176.79 2wfh s VAL 769 N -3.89 4.43 0.20 -1.59 1.01 -1.26 -4.98 120.40 114.32 2wfh s VAL 769 Ca 0.09 1.64 -0.32 0.00 0.00 0.00 0.00 61.98 63.39 2wfh s VAL 769 Cb 0.04 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 2wfh s VAL 769 CO -0.08 -0.47 1.71 -2.65 0.00 0.00 0.00 175.10 173.61 2wfh n PRO 770 N 6.95 2.68 0.24 2.72 -0.02 -1.26 -4.88 135.00 141.43 2wfh n PRO 770 Ca 0.13 0.97 0.11 0.00 -2.02 0.00 0.00 63.50 62.68 2wfh n PRO 770 Cb 0.47 -2.81 0.56 0.00 -0.02 0.00 0.00 33.50 31.70 2wfh n PRO 770 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wfh h LYS 771 N 6.74 0.00 0.00 -0.52 1.57 -1.95 -2.71 116.57 119.70 2wfh h LYS 771 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2wfh h LYS 771 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2wfh h LYS 771 CO 0.95 0.20 0.00 -0.85 -0.57 0.00 0.00 179.45 179.17 2wfh n GLU 772 N -3.51 0.02 0.19 3.15 0.28 -1.26 -2.49 120.64 117.01 2wfh n GLU 772 Ca -0.01 0.22 0.18 0.00 -0.16 0.00 0.00 57.16 57.39 2wfh n GLU 772 Cb 0.36 -1.50 0.81 0.00 1.43 0.00 0.00 31.44 32.54 2wfh n GLU 772 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2wfh h LEU 773 N 0.00 0.00 0.00 -1.84 3.38 -1.87 -2.43 115.31 112.55 2wfh h LEU 773 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wfh h LEU 773 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wfh h LEU 773 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 2wfh n SER 774 N -3.78 0.00 0.19 -0.43 3.41 -1.04 -2.53 113.62 109.44 2wfh n SER 774 Ca 0.03 -0.33 0.14 0.00 -0.26 0.00 0.00 58.87 58.44 2wfh n SER 774 Cb 0.38 -0.19 0.50 0.00 -0.26 0.00 0.00 64.21 64.64 2wfh n SER 774 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wfh h ASN 775 N 0.00 0.00 -3.57 4.04 -0.26 -1.68 -3.42 115.58 110.69 2wfh h ASN 775 Ca 0.00 0.00 -0.77 0.00 -0.56 0.00 0.00 56.30 54.97 2wfh h ASN 775 Cb 0.15 0.00 -0.26 0.00 -1.06 0.00 0.00 38.32 37.15 2wfh h ASN 775 CO 0.00 0.00 -0.06 -0.31 -1.06 0.00 0.00 177.43 176.00 2wfh s TYR 776 N -3.39 3.56 -1.40 1.19 2.02 -1.05 -4.90 117.35 113.38 2wfh s TYR 776 Ca 0.05 -1.79 0.29 0.00 -0.37 0.00 0.00 57.07 55.24 2wfh s TYR 776 Cb 0.09 -3.76 1.45 0.00 -0.40 0.00 0.00 41.96 39.34 2wfh s TYR 776 CO 0.51 -0.99 2.00 1.63 -1.57 0.00 0.00 175.55 177.13 2wfh n LYS 777 N 4.42 0.38 -0.10 -0.62 4.76 -1.26 -2.52 118.16 123.22 2wfh n LYS 777 Ca 0.03 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 2wfh n LYS 777 Cb 0.44 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.27 2wfh n LYS 777 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wfh n HIS 778 N -1.30 0.26 -2.39 2.13 8.25 -1.26 -4.90 115.22 116.02 2wfh n HIS 778 Ca 0.13 -0.17 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2wfh n HIS 778 Cb 0.24 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.37 3.78 -0.00 2.41 2.96 -1.03 -4.27 118.68 121.16 2wfh s LEU 779 Ca 0.28 1.09 0.07 0.00 -0.22 0.00 0.00 54.13 55.35 2wfh s LEU 779 Cb 0.17 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 2wfh s LEU 779 CO 0.24 -1.21 0.25 0.35 -1.32 0.00 0.00 176.35 174.67 2wfh n THR 780 N 6.51 0.00 -4.06 3.68 -2.24 -0.20 -4.15 114.28 113.82 2wfh n THR 780 Ca 0.15 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 2wfh n THR 780 Cb 0.47 0.73 -0.17 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 -2.82 1.15 -0.14 3.22 0.20 -0.87 -0.63 118.68 118.78 2wfh s LEU 781 Ca 0.01 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.70 2wfh s LEU 781 Cb 0.05 -0.50 0.02 0.00 -0.43 0.00 0.00 46.19 45.33 2wfh s LEU 781 CO 0.30 -0.09 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.46 2wfh s ILE 782 N 1.23 1.79 -0.33 6.68 1.01 -0.82 -1.30 121.20 129.47 2wfh s ILE 782 Ca -0.06 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 2wfh s ILE 782 Cb -0.14 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.76 2wfh s ILE 782 CO -0.02 0.50 0.08 -0.62 0.00 0.00 0.00 174.94 174.88 2wfh s ASP 783 N 1.06 5.23 -0.20 3.58 2.15 -0.45 -1.79 116.67 126.24 2wfh s ASP 783 Ca -0.03 -1.14 0.14 0.00 0.43 0.00 0.00 52.55 51.95 2wfh s ASP 783 Cb -0.14 -1.84 0.42 0.00 -0.30 0.00 0.00 42.92 41.05 2wfh s ASP 783 CO -0.05 -0.31 1.28 0.18 -0.17 0.00 0.00 175.17 176.11 2wfh n LEU 784 N 4.78 3.10 -4.60 -1.34 4.77 -0.06 -0.31 117.00 123.34 2wfh n LEU 784 Ca -0.13 -3.52 -0.42 0.00 -0.03 0.00 0.00 56.01 51.91 2wfh n LEU 784 Cb 0.45 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wfh n LEU 784 CO 0.31 1.07 0.57 -1.20 -1.33 0.00 0.00 177.39 176.80 2wfh n SER 785 N -1.13 1.22 -3.17 -1.43 7.64 -1.21 -3.71 113.62 111.83 2wfh n SER 785 Ca 0.22 1.08 -0.15 0.00 1.01 0.00 0.00 58.87 61.03 2wfh n SER 785 Cb 0.78 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.73 2wfh n SER 785 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wfh n ASN 786 N 0.78 -4.01 -0.90 6.43 3.02 -0.19 -1.32 115.26 119.08 2wfh n ASN 786 Ca 0.09 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 2wfh n ASN 786 Cb 0.37 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 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 -3.02 1.43 -1.48 6.41 3.02 -1.12 -2.44 115.26 118.05 2wfh n ASN 787 Ca -0.17 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.73 2wfh n ASN 787 Cb 0.63 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.91 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 2.69 -2.20 3.52 1.74 0.46 -4.37 116.66 118.51 2wfh n ARG 788 Ca 0.00 -3.72 -0.43 0.00 -0.77 0.00 0.00 57.85 52.93 2wfh n ARG 788 Cb 0.00 -2.01 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 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 -4.01 3.84 -0.39 0.55 1.01 -1.05 -4.41 121.20 116.74 2wfh s ILE 789 Ca 0.47 0.96 0.18 0.00 0.00 0.00 0.00 60.65 62.27 2wfh s ILE 789 Cb 0.40 -3.80 -0.25 0.00 0.01 0.00 0.00 42.46 38.82 2wfh s ILE 789 CO -0.00 -0.28 0.57 -1.54 0.00 0.00 0.00 174.94 173.68 2wfh n SER 790 N 7.92 0.79 -3.75 3.58 3.41 -1.24 0.26 113.62 124.58 2wfh n SER 790 Ca 0.17 -0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.25 2wfh n SER 790 Cb 0.45 1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 65.79 2wfh n SER 790 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wfh s THR 791 N -3.04 0.03 0.18 6.66 -1.32 -1.26 -4.12 115.64 112.76 2wfh s THR 791 Ca -0.01 -0.22 0.09 0.00 -1.21 0.00 0.00 61.69 60.34 2wfh s THR 791 Cb 0.13 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 2wfh s THR 791 CO 0.76 -0.12 -0.12 -0.76 -2.21 0.00 0.00 174.62 172.17 2wfh s LEU 792 N -0.53 2.87 0.28 9.08 1.43 -1.26 -4.59 118.68 125.95 2wfh s LEU 792 Ca -0.06 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2wfh s LEU 792 Cb -0.04 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2wfh s LEU 792 CO 0.02 0.11 0.21 -0.94 0.23 0.00 0.00 176.35 175.98 2wfh s SER 793 N -2.76 5.32 0.62 2.29 1.04 -1.26 -4.73 113.70 114.21 2wfh s SER 793 Ca 0.24 -0.39 0.41 0.00 0.48 0.00 0.00 55.95 56.69 2wfh s SER 793 Cb -0.09 -1.19 2.21 0.00 0.10 0.00 0.00 66.02 67.06 2wfh s SER 793 CO 0.14 -0.15 2.24 0.78 0.98 0.00 0.00 173.24 177.24 2wfh h ASN 794 N 1.45 0.00 0.69 7.02 2.35 -1.91 -2.01 115.58 123.17 2wfh h ASN 794 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2wfh h ASN 794 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2wfh h ASN 794 CO 0.60 0.00 -0.89 0.00 -1.65 0.00 0.00 177.43 175.49 2wfh n GLN 795 N -2.95 0.35 -0.34 0.81 6.02 -1.26 -4.38 117.38 115.64 2wfh n GLN 795 Ca -0.03 0.05 0.20 0.00 -0.01 0.00 0.00 57.00 57.21 2wfh n GLN 795 Cb 0.09 -1.67 0.39 0.00 1.02 0.00 0.00 30.24 30.07 2wfh n GLN 795 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2wfh n SER 796 N -2.15 0.03 -0.77 1.08 7.64 -0.76 -2.27 113.62 116.42 2wfh n SER 796 Ca 0.02 1.68 0.03 0.00 1.01 0.00 0.00 58.87 61.61 2wfh n SER 796 Cb 0.46 -0.68 0.19 0.00 -1.01 0.00 0.00 64.21 63.17 2wfh n SER 796 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wfh n PHE 797 N -5.42 0.27 -1.73 1.43 3.01 -1.26 -4.83 117.46 108.92 2wfh n PHE 797 Ca 0.28 -1.54 -0.42 0.00 1.01 0.00 0.00 57.45 56.77 2wfh n PHE 797 Cb 0.93 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 40.14 2wfh n PHE 797 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wfh n SER 798 N -1.03 3.46 0.00 4.37 7.64 -0.96 -3.06 113.62 124.03 2wfh n SER 798 Ca 0.21 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2wfh n SER 798 Cb 0.73 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2wfh n SER 798 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wfh n ASN 799 N 1.50 0.00 -3.03 6.43 2.85 -1.26 -4.72 115.26 117.03 2wfh n ASN 799 Ca 0.07 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.16 2wfh n ASN 799 Cb 0.36 -0.28 0.01 0.00 1.24 0.00 0.00 39.78 41.12 2wfh n ASN 799 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2wfh n MET 800 N -2.00 3.38 0.24 1.20 2.81 -1.17 -4.75 117.12 116.84 2wfh n MET 800 Ca 0.00 -3.54 0.09 0.00 -1.81 0.00 0.00 57.70 52.44 2wfh n MET 800 Cb 0.00 -2.31 0.61 0.00 -0.71 0.00 0.00 33.22 30.80 2wfh n MET 800 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2wfh h THR 801 N 2.09 0.87 -0.00 2.03 2.02 -1.86 -2.88 112.91 115.17 2wfh h THR 801 Ca 0.54 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2wfh h THR 801 Cb 0.23 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2wfh h THR 801 CO 1.28 0.16 -0.03 0.00 0.37 0.00 0.00 175.52 177.30 2wfh n GLN 802 N -3.99 0.41 -1.80 6.66 0.00 -1.26 -4.01 117.38 113.38 2wfh n GLN 802 Ca -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 57.00 56.53 2wfh n GLN 802 Cb 0.25 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.97 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 -2.62 4.36 -0.16 2.61 2.96 -1.09 -4.67 118.68 120.07 2wfh s LEU 803 Ca 0.27 2.87 0.07 0.00 -0.22 0.00 0.00 54.13 57.11 2wfh s LEU 803 Cb 0.20 -3.62 -0.14 0.00 0.50 0.00 0.00 46.19 43.13 2wfh s LEU 803 CO 0.48 -0.90 -0.05 0.18 -1.32 0.00 0.00 176.35 174.73 2wfh n LEU 804 N 2.89 1.50 -3.92 -0.68 4.77 0.19 -2.50 117.00 119.26 2wfh n LEU 804 Ca 0.11 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 2wfh n LEU 804 Cb 0.37 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 2wfh n LEU 804 CO 0.63 0.57 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.96 2wfh s THR 805 N -2.34 0.57 -0.16 -5.08 2.01 -0.10 -0.48 115.64 110.07 2wfh s THR 805 Ca -0.15 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 2wfh s THR 805 Cb 0.05 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 72.04 2wfh s THR 805 CO 0.48 0.22 0.06 -0.22 -0.69 0.00 0.00 174.62 174.47 2wfh s LEU 806 N 0.73 0.64 -0.32 4.42 2.96 -0.74 -1.94 118.68 124.44 2wfh s LEU 806 Ca -0.10 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2wfh s LEU 806 Cb -0.13 -0.38 0.05 0.00 0.50 0.00 0.00 46.19 46.23 2wfh s LEU 806 CO 0.00 -0.31 0.05 -0.63 -1.32 0.00 0.00 176.35 174.15 2wfh s ILE 807 N 2.03 3.36 -0.17 6.68 1.01 -0.74 -1.65 121.20 131.72 2wfh s ILE 807 Ca 0.02 -1.29 0.15 0.00 0.00 0.00 0.00 60.65 59.53 2wfh s ILE 807 Cb -0.16 -2.93 0.36 0.00 0.01 0.00 0.00 42.46 39.74 2wfh s ILE 807 CO -0.08 -0.16 1.20 0.18 0.00 0.00 0.00 174.94 176.08 2wfh n LEU 808 N 4.71 2.60 -4.75 2.97 4.77 0.30 -0.88 117.00 126.72 2wfh n LEU 808 Ca -0.12 -3.43 -0.39 0.00 -0.03 0.00 0.00 56.01 52.04 2wfh n LEU 808 Cb 0.44 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2wfh n LEU 808 CO 0.29 1.00 1.00 -0.44 -1.33 0.00 0.00 177.39 177.91 2wfh s SER 809 N -2.98 5.27 -1.11 -1.43 0.01 -1.21 -3.95 113.70 108.31 2wfh s SER 809 Ca 0.35 2.80 -0.04 0.00 1.31 0.00 0.00 55.95 60.37 2wfh s SER 809 Cb 0.32 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2wfh s SER 809 CO -0.01 -1.57 0.95 -1.22 0.41 0.00 0.00 173.24 171.80 2wfh n TYR 810 N -0.99 -2.35 -2.77 2.43 4.01 -0.19 -1.02 117.16 116.27 2wfh n TYR 810 Ca 0.10 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.73 2wfh n TYR 810 Cb 0.45 -4.52 0.00 0.00 -0.31 0.00 0.00 39.34 34.95 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 -3.19 1.21 -0.88 7.72 3.02 -1.19 -2.15 115.26 119.81 2wfh n ASN 811 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2wfh n ASN 811 Cb 0.64 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.99 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 1.97 -2.43 3.52 1.74 0.14 -4.53 116.66 117.06 2wfh n ARG 812 Ca 0.00 -3.46 -0.40 0.00 -0.77 0.00 0.00 57.85 53.21 2wfh n ARG 812 Cb 0.00 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 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 -3.31 4.53 -0.06 0.55 1.43 -1.06 -4.40 118.68 116.36 2wfh s LEU 813 Ca 0.41 2.30 0.10 0.00 -1.03 0.00 0.00 54.13 55.91 2wfh s LEU 813 Cb 0.38 -3.63 -0.15 0.00 0.03 0.00 0.00 46.19 42.82 2wfh s LEU 813 CO -0.05 -0.20 0.14 0.54 0.23 0.00 0.00 176.35 177.01 2wfh n ARG 814 N 1.33 1.32 -3.61 1.70 1.74 -1.26 -0.46 116.66 117.43 2wfh n ARG 814 Ca -0.00 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 2wfh n ARG 814 Cb 0.45 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.55 2wfh n ARG 814 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wfh s ILE 816 N -0.30 4.96 0.55 0.00 -1.09 -1.23 -4.72 121.20 119.37 2wfh s ILE 816 Ca 0.00 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.16 2wfh s ILE 816 Cb -0.03 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 2wfh s ILE 816 CO -0.02 -0.07 1.37 -2.84 -1.23 0.00 0.00 174.94 172.15 2wfh s PRO 817 N 2.55 3.13 0.56 2.79 0.02 -1.26 -4.15 135.00 138.65 2wfh s PRO 817 Ca 0.25 2.27 0.33 0.00 0.02 0.00 0.00 61.00 63.87 2wfh s PRO 817 Cb -0.15 -2.27 1.64 0.00 0.02 0.00 0.00 34.50 33.74 2wfh s PRO 817 CO 0.10 -1.21 2.11 -1.00 -0.33 0.00 0.00 177.00 176.68 2wfh h PRO 818 N 1.47 0.00 -0.34 5.54 0.13 -1.92 -1.85 132.00 135.03 2wfh h PRO 818 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2wfh h PRO 818 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wfh h PRO 818 CO 0.57 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 178.95 2wfh n ARG 819 N -3.37 2.96 0.07 0.86 1.74 -1.26 -3.62 116.66 114.04 2wfh n ARG 819 Ca -0.01 -2.41 0.04 0.00 -0.77 0.00 0.00 57.85 54.69 2wfh n ARG 819 Cb 0.22 -1.53 0.44 0.00 -1.02 0.00 0.00 32.46 30.57 2wfh n ARG 819 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wfh h THR 820 N 2.09 1.12 -0.61 0.55 1.03 -1.53 -2.40 112.91 113.16 2wfh h THR 820 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 2wfh h THR 820 Cb 1.05 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2wfh h THR 820 CO 0.10 0.14 0.00 0.49 -0.01 0.00 0.00 175.52 176.24 2wfh n PHE 821 N -4.41 1.61 -1.76 0.00 3.72 -1.26 -4.18 117.46 111.18 2wfh n PHE 821 Ca 0.01 -0.65 -0.40 0.00 -0.05 0.00 0.00 57.45 56.35 2wfh n PHE 821 Cb 0.14 -0.32 0.02 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.91 3.26 0.00 4.37 9.92 -0.90 -2.99 116.55 131.11 2wfh n ASP 822 Ca 0.26 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.64 2wfh n ASP 822 Cb 0.97 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 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 0.60 1.44 2.50 0.44 0.00 -1.26 -4.83 105.19 104.08 2wfh n GLY 823 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 7.86 0.05 0.99 4.77 -1.16 -4.47 117.00 125.03 2wfh n LEU 824 Ca 0.00 -4.88 0.12 0.00 -0.03 0.00 0.00 56.01 51.22 2wfh n LEU 824 Cb 0.00 -1.33 0.48 0.00 -2.33 0.00 0.00 43.42 40.24 2wfh n LEU 824 CO 0.00 2.03 0.88 0.29 -1.33 0.00 0.00 177.39 179.26 2wfh n LYS 825 N 1.45 0.10 0.00 3.23 4.76 -1.25 -2.53 118.16 123.92 2wfh n LYS 825 Ca 0.60 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 56.33 2wfh n LYS 825 Cb 0.27 -1.64 -0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.82 1.90 -4.69 4.39 7.64 -1.26 -3.94 113.62 115.84 2wfh n SER 826 Ca 0.05 -1.45 -0.42 0.00 1.01 0.00 0.00 58.87 58.06 2wfh n SER 826 Cb 0.31 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.53 4.39 -0.22 -3.43 2.96 -1.04 -4.55 118.68 114.26 2wfh s LEU 827 Ca 0.18 2.67 0.05 0.00 -0.22 0.00 0.00 54.13 56.81 2wfh s LEU 827 Cb 0.18 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 43.13 2wfh s LEU 827 CO 0.60 -0.96 -0.14 0.54 -1.32 0.00 0.00 176.35 175.07 2wfh n ARG 828 N 5.50 0.69 -4.29 1.98 5.12 0.37 -1.76 116.66 124.27 2wfh n ARG 828 Ca 0.17 0.10 -0.22 0.00 -1.93 0.00 0.00 57.85 55.97 2wfh n ARG 828 Cb 0.39 -1.46 -0.17 0.00 -1.16 0.00 0.00 32.46 30.06 2wfh n ARG 828 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wfh s LEU 829 N -6.11 1.42 -0.09 0.55 2.96 -0.93 -1.22 118.68 115.25 2wfh s LEU 829 Ca -0.26 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2wfh s LEU 829 Cb 0.07 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.16 2wfh s LEU 829 CO 0.58 -0.03 -0.05 -0.22 -1.32 0.00 0.00 176.35 175.31 2wfh s LEU 830 N 0.91 1.07 -0.22 -0.68 2.96 -1.02 -1.79 118.68 119.91 2wfh s LEU 830 Ca -0.11 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2wfh s LEU 830 Cb -0.15 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2wfh s LEU 830 CO 0.01 -0.12 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.33 2wfh s SER 831 N 1.62 4.39 -0.09 3.68 0.15 -0.66 -1.73 113.70 121.06 2wfh s SER 831 Ca 0.02 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.43 2wfh s SER 831 Cb -0.13 -1.75 0.26 0.00 -1.71 0.00 0.00 66.02 62.69 2wfh s SER 831 CO -0.06 -0.01 1.18 0.18 1.20 0.00 0.00 173.24 175.74 2wfh n LEU 832 N 4.71 2.66 -4.76 3.45 4.77 0.13 -0.54 117.00 127.42 2wfh n LEU 832 Ca -0.18 -2.61 -0.41 0.00 -0.03 0.00 0.00 56.01 52.77 2wfh n LEU 832 Cb 0.51 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wfh n LEU 832 CO 0.29 0.65 1.12 1.57 -1.33 0.00 0.00 177.39 179.69 2wfh n HIS 833 N -0.69 2.89 -2.72 -1.77 -0.00 -1.07 -3.82 115.22 108.04 2wfh n HIS 833 Ca 0.12 0.44 -0.08 0.00 0.46 0.00 0.00 57.72 58.66 2wfh n HIS 833 Cb 0.55 -2.52 0.04 0.00 -0.12 0.00 0.00 29.99 27.94 2wfh n HIS 833 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wfh n GLY 834 N 0.65 0.15 0.00 1.57 0.00 -0.28 -1.02 105.19 106.26 2wfh n GLY 834 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.52 1.16 -1.24 1.61 3.02 -1.14 -2.60 115.26 114.56 2wfh n ASN 835 Ca -0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.40 2wfh n ASN 835 Cb 0.56 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.86 2wfh n ASN 835 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wfh n ASP 836 N 0.00 2.91 -4.66 6.41 2.03 0.40 -4.47 116.55 119.17 2wfh n ASP 836 Ca 0.00 -3.73 -0.43 0.00 0.52 0.00 0.00 54.79 51.15 2wfh n ASP 836 Cb 0.00 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 2wfh n ASP 836 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wfh s ILE 837 N -3.65 4.37 -0.04 5.18 1.01 -0.95 -4.26 121.20 122.85 2wfh s ILE 837 Ca 0.43 1.65 0.14 0.00 0.00 0.00 0.00 60.65 62.86 2wfh s ILE 837 Cb 0.38 -4.08 -0.21 0.00 0.01 0.00 0.00 42.46 38.56 2wfh s ILE 837 CO -0.03 -0.17 0.26 -1.54 0.00 0.00 0.00 174.94 173.46 2wfh n SER 838 N 6.60 1.69 -3.83 3.58 3.41 -0.88 -2.92 113.62 121.26 2wfh n SER 838 Ca 0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.55 2wfh n SER 838 Cb 0.45 1.48 -0.17 0.00 -0.26 0.00 0.00 64.21 65.72 2wfh n SER 838 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wfh s VAL 839 N -2.86 0.36 -0.23 -3.33 1.01 -1.25 -0.78 120.40 113.32 2wfh s VAL 839 Ca -0.06 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2wfh s VAL 839 Cb 0.08 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 36.07 2wfh s VAL 839 CO 0.59 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 175.10 2wfh s VAL 840 N 1.24 1.83 0.46 2.92 1.01 -1.26 -3.47 120.40 123.12 2wfh s VAL 840 Ca -0.06 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 2wfh s VAL 840 Cb -0.13 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 2wfh s VAL 840 CO -0.02 0.07 1.07 -2.16 0.00 0.00 0.00 175.10 174.06 2wfh s PRO 841 N 1.29 3.87 0.24 2.72 0.04 -1.26 -4.79 135.00 137.10 2wfh s PRO 841 Ca -0.04 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 2wfh s PRO 841 Cb -0.18 -2.27 -0.14 0.00 0.04 0.00 0.00 34.50 31.96 2wfh s PRO 841 CO -0.07 -0.39 1.33 -1.91 0.04 0.00 0.00 177.00 176.00 2wfh n GLU 842 N -0.65 1.84 -0.14 4.56 2.13 -1.26 -1.96 120.64 125.16 2wfh n GLU 842 Ca 0.08 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2wfh n GLU 842 Cb 0.51 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 1.98 0.93 0.26 8.31 0.00 -1.26 -4.94 105.19 110.48 2wfh n GLY 843 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 1.87 -0.55 4.61 0.00 -1.45 -1.57 119.26 122.17 2wfh h ALA 844 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wfh h ALA 844 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wfh h ALA 844 CO 0.00 0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.48 2wfh n PHE 845 N -4.40 1.32 -0.22 0.00 3.72 -1.26 -4.45 117.46 112.17 2wfh n PHE 845 Ca -0.03 -0.65 0.03 0.00 -0.05 0.00 0.00 57.45 56.76 2wfh n PHE 845 Cb 0.12 -0.25 0.14 0.00 -0.94 0.00 0.00 39.48 38.55 2wfh n PHE 845 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2wfh h ASN 846 N 3.48 0.00 0.17 4.37 -0.73 -1.63 -2.34 115.58 118.90 2wfh h ASN 846 Ca 0.00 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.30 2wfh h ASN 846 Cb 1.40 0.18 0.00 0.00 0.27 0.00 0.00 38.32 40.17 2wfh h ASN 846 CO 0.22 -0.01 -0.25 0.47 -0.37 0.00 0.00 177.43 177.49 2wfh n ASP 847 N -5.14 1.24 -2.79 1.15 9.92 -1.26 -4.54 116.55 115.12 2wfh n ASP 847 Ca 0.11 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 53.03 2wfh n ASP 847 Cb 0.39 0.16 -0.08 0.00 -0.64 0.00 0.00 41.12 40.95 2wfh n ASP 847 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wfh n LEU 848 N -0.44 7.20 0.04 0.64 4.77 -0.88 -3.85 117.00 124.48 2wfh n LEU 848 Ca 0.13 -4.00 0.13 0.00 -0.03 0.00 0.00 56.01 52.24 2wfh n LEU 848 Cb 0.37 -1.45 0.51 0.00 -2.33 0.00 0.00 43.42 40.52 2wfh n LEU 848 CO 0.25 1.91 0.91 -1.54 -1.33 0.00 0.00 177.39 177.59 2wfh n SER 849 N 2.65 0.31 -0.50 -1.43 3.41 -1.26 -2.62 113.62 114.18 2wfh n SER 849 Ca 0.61 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.87 2wfh n SER 849 Cb 0.51 -0.61 0.15 0.00 -0.26 0.00 0.00 64.21 63.99 2wfh n SER 849 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wfh n ALA 850 N -1.61 3.21 -2.06 7.33 0.00 -1.25 -4.99 120.51 121.14 2wfh n ALA 850 Ca 0.06 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 2wfh n ALA 850 Cb 0.35 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.38 4.30 -0.00 0.00 2.96 -0.72 -4.38 118.68 118.45 2wfh s LEU 851 Ca 0.23 2.17 0.04 0.00 -0.22 0.00 0.00 54.13 56.35 2wfh s LEU 851 Cb 0.19 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2wfh s LEU 851 CO 0.50 -0.90 0.14 -1.54 -1.32 0.00 0.00 176.35 173.23 2wfh n SER 852 N 7.05 1.83 -3.64 3.68 3.41 -0.36 -4.97 113.62 120.62 2wfh n SER 852 Ca 0.17 -0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 58.23 2wfh n SER 852 Cb 0.43 1.08 -0.17 0.00 -0.26 0.00 0.00 64.21 65.30 2wfh n SER 852 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2wfh s HIS 853 N -1.78 -0.01 -0.13 7.33 5.65 -0.87 -4.40 115.29 121.07 2wfh s HIS 853 Ca 0.00 0.22 -0.02 0.00 0.25 0.00 0.00 55.06 55.51 2wfh s HIS 853 Cb 0.03 -0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 30.95 2wfh s HIS 853 CO 0.17 -0.33 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.72 2wfh s LEU 854 N 2.21 3.23 -0.20 8.88 2.96 -0.19 -2.44 118.68 133.14 2wfh s LEU 854 Ca 0.04 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2wfh s LEU 854 Cb -0.13 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2wfh s LEU 854 CO -0.06 0.22 -0.12 0.00 -1.32 0.00 0.00 176.35 175.07 2wfh s ALA 855 N 0.04 2.59 0.00 5.97 0.00 -0.71 -4.45 121.76 125.20 2wfh s ALA 855 Ca -0.00 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.82 2wfh s ALA 855 Cb -0.13 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.62 2wfh s ALA 855 CO 0.03 -0.40 1.02 1.51 0.00 0.00 0.00 175.76 177.91 2wfh n ILE 856 N 4.71 0.00 -1.43 0.00 3.06 -1.26 0.19 119.36 124.63 2wfh n ILE 856 Ca -0.19 -0.22 -0.29 0.00 -2.50 0.00 0.00 62.75 59.54 2wfh n ILE 856 Cb 0.50 0.59 0.16 0.00 0.54 0.00 0.00 39.64 41.43 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 -1.18 1.59 -1.43 4.50 0.00 -1.26 -4.05 107.32 105.49 2wfh s GLY 857 Ca 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2wfh s GLY 857 CO -0.04 0.03 0.83 0.00 0.00 0.00 0.00 173.10 173.92 2wfh n ALA 858 N -3.98 -1.63 -2.62 3.20 0.00 -1.26 -1.13 120.51 113.09 2wfh n ALA 858 Ca 0.08 0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 2wfh n ALA 858 Cb 0.59 -3.24 -0.14 0.00 0.00 0.00 0.00 19.45 16.66 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 -3.81 1.56 -1.45 0.00 0.01 -1.26 -2.88 114.94 107.10 2wfh s ASN 859 Ca 0.35 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.04 2wfh s ASN 859 Cb -0.18 -0.14 0.04 0.00 0.41 0.00 0.00 41.25 41.39 2wfh s ASN 859 CO 0.83 0.10 2.30 -0.81 -1.51 0.00 0.00 177.10 178.00 2wfh n PRO 860 N 2.38 3.16 -1.97 -0.60 -0.04 -1.15 -4.65 135.00 132.13 2wfh n PRO 860 Ca -0.16 -2.71 -0.42 0.00 -0.04 0.00 0.00 63.50 60.17 2wfh n PRO 860 Cb 0.55 -3.14 -0.03 0.00 -0.04 0.00 0.00 33.50 30.85 2wfh n PRO 860 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wfh s LEU 861 N 1.38 4.37 -0.52 1.53 1.43 -1.22 -4.13 118.68 121.52 2wfh s LEU 861 Ca 0.50 2.62 -0.16 0.00 -1.03 0.00 0.00 54.13 56.06 2wfh s LEU 861 Cb 0.14 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.87 2wfh s LEU 861 CO -0.07 -0.78 0.47 -0.47 0.23 0.00 0.00 176.35 175.73 2wfh s TYR 862 N 0.76 3.25 -1.23 0.29 5.04 0.04 -1.02 117.35 124.47 2wfh s TYR 862 Ca 0.66 -1.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.03 2wfh s TYR 862 Cb -0.43 -3.63 0.19 0.00 0.35 0.00 0.00 41.96 38.44 2wfh s TYR 862 CO 0.35 -0.96 1.98 0.00 -1.34 0.00 0.00 175.55 175.58 2wfh n ASP 864 N 2.22 0.00 0.26 0.00 5.75 -1.26 -4.26 116.55 119.26 2wfh n ASP 864 Ca 0.46 -0.31 0.13 0.00 -0.01 0.00 0.00 54.79 55.06 2wfh n ASP 864 Cb 0.30 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.12 2wfh n ASP 864 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wfh n ASN 866 N -3.61 0.00 -0.28 0.00 5.03 -1.26 -2.43 115.26 112.71 2wfh n ASN 866 Ca -0.02 -0.39 0.03 0.00 0.87 0.00 0.00 54.58 55.07 2wfh n ASN 866 Cb 0.24 -0.17 0.04 0.00 -1.02 0.00 0.00 39.78 38.87 2wfh n ASN 866 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 2wfh n MET 867 N -1.17 0.29 -0.10 3.52 1.56 -0.69 -4.49 117.12 116.03 2wfh n MET 867 Ca 0.16 -1.01 0.03 0.00 -0.27 0.00 0.00 57.70 56.61 2wfh n MET 867 Cb 0.16 -1.13 0.35 0.00 2.15 0.00 0.00 33.22 34.75 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 1.27 0.73 -0.43 2.12 4.15 -1.43 -1.55 115.11 119.98 2wfh h GLN 868 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2wfh h GLN 868 Cb 0.32 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2wfh h GLN 868 CO 0.00 0.48 0.22 0.11 -1.93 0.00 0.00 178.83 177.71 2wfh h TRP 869 N 0.75 0.57 -0.12 3.99 5.08 -1.84 -2.14 115.95 122.23 2wfh h TRP 869 Ca 0.22 -0.01 -0.22 0.00 1.08 0.00 0.00 58.89 59.96 2wfh h TRP 869 Cb -0.05 -0.18 0.01 0.00 -3.00 0.00 0.00 29.16 25.93 2wfh h TRP 869 CO -0.00 0.41 -0.79 1.25 -1.28 0.00 0.00 178.44 178.03 2wfh h LEU 870 N 0.59 0.83 -0.34 0.11 5.85 -1.63 0.40 115.31 121.12 2wfh h LEU 870 Ca 0.15 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2wfh h LEU 870 Cb 0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2wfh h LEU 870 CO -0.02 1.34 0.08 -1.28 -0.34 0.00 0.00 178.44 178.22 2wfh h SER 871 N 0.47 0.05 -0.76 1.25 0.87 -1.26 -1.12 113.55 113.03 2wfh h SER 871 Ca -0.05 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2wfh h SER 871 Cb 1.41 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 2wfh h SER 871 CO 0.16 0.06 0.35 0.44 -0.53 0.00 0.00 176.83 177.31 2wfh h ASP 872 N 0.21 1.01 -0.44 6.23 3.32 -1.24 -1.63 116.42 123.89 2wfh h ASP 872 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wfh h ASP 872 Cb 0.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wfh h ASP 872 CO -0.19 0.88 0.26 -0.25 -1.72 0.00 0.00 179.24 178.22 2wfh h TRP 873 N 1.08 0.58 0.00 4.55 7.01 -0.61 -1.50 115.95 127.06 2wfh h TRP 873 Ca 0.26 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.22 2wfh h TRP 873 Cb 0.15 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2wfh h TRP 873 CO 0.01 0.41 -0.19 -0.39 -2.79 0.00 0.00 178.44 175.49 2wfh h VAL 874 N 0.58 0.39 0.00 2.65 -1.51 -1.10 -2.96 116.25 114.31 2wfh h VAL 874 Ca 0.16 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 2wfh h VAL 874 Cb -0.00 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2wfh h VAL 874 CO -0.03 0.19 -0.05 0.11 -1.23 0.00 0.00 177.57 176.56 2wfh h LYS 875 N 0.00 0.00 -0.00 5.19 1.57 -0.86 -3.36 116.57 119.11 2wfh h LYS 875 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2wfh h LYS 875 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2wfh h LYS 875 CO 0.02 0.00 -0.74 0.66 -0.57 0.00 0.00 179.45 178.83 2wfh h SER 876 N 0.00 0.03 -5.15 0.86 4.64 -1.10 -3.46 113.55 109.37 2wfh h SER 876 Ca 0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 2wfh h SER 876 Cb 0.79 -0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 62.76 2wfh h SER 876 CO 0.00 0.76 -0.15 -1.61 -0.87 0.00 0.00 176.83 174.96 2wfh s GLU 877 N -3.35 1.18 -0.37 4.77 0.41 -1.26 -5.12 118.70 114.96 2wfh s GLU 877 Ca -0.01 -0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 53.32 2wfh s GLU 877 Cb 0.12 0.44 0.00 0.00 -1.78 0.00 0.00 34.13 32.92 2wfh s GLU 877 CO 0.78 -0.46 1.41 0.71 -0.49 0.00 0.00 175.26 177.21 2wfh s TYR 878 N -3.89 2.43 0.00 1.61 2.02 -1.26 -4.76 117.35 113.50 2wfh s TYR 878 Ca 0.10 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 2wfh s TYR 878 Cb 0.02 -4.18 0.00 0.00 -0.40 0.00 0.00 41.96 37.39 2wfh s TYR 878 CO -0.05 -2.01 0.00 1.63 -1.57 0.00 0.00 175.55 173.55 2wfh n LYS 879 N 7.88 2.40 -3.98 -0.62 5.02 -1.26 -4.87 118.16 122.72 2wfh n LYS 879 Ca 0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.27 2wfh n LYS 879 Cb 0.47 -0.61 -0.16 0.00 -0.02 0.00 0.00 35.03 34.72 2wfh n LYS 879 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wfh s GLU 880 N -0.90 0.47 -0.14 1.97 -6.30 -1.26 -1.02 118.70 111.53 2wfh s GLU 880 Ca 0.00 0.03 0.01 0.00 -2.50 0.00 0.00 54.97 52.51 2wfh s GLU 880 Cb 0.00 -0.62 0.16 0.00 0.00 0.00 0.00 34.13 33.68 2wfh s GLU 880 CO 0.00 -0.13 1.44 -0.35 0.02 0.00 0.00 175.26 176.24 2wfh n PRO 881 N 4.19 1.37 -2.79 4.30 -0.04 -1.26 -4.87 135.00 135.89 2wfh n PRO 881 Ca -0.24 -0.83 -0.07 0.00 -0.04 0.00 0.00 63.50 62.32 2wfh n PRO 881 Cb 0.50 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.26 0.47 0.07 0.55 0.00 -1.26 -4.97 105.19 100.31 2wfh n GLY 882 Ca 0.16 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.12 0.63 -1.69 -0.61 2.08 -1.26 -5.03 119.36 110.36 2wfh n ILE 883 Ca -0.01 -0.24 -0.44 0.00 0.56 0.00 0.00 62.75 62.62 2wfh n ILE 883 Cb 0.52 -0.91 -0.04 0.00 -0.75 0.00 0.00 39.64 38.47 2wfh n ILE 883 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wfh n ALA 884 N -2.84 2.13 -2.79 -1.39 0.00 -1.26 -4.62 120.51 109.74 2wfh n ALA 884 Ca -0.20 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.51 2wfh n ALA 884 Cb 0.71 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 2wfh n ALA 884 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wfh s ARG 885 N 1.16 0.60 0.18 0.00 0.52 -1.26 -1.95 118.95 118.20 2wfh s ARG 885 Ca 0.77 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 2wfh s ARG 885 Cb -0.58 -0.48 -0.08 0.00 0.52 0.00 0.00 34.95 34.32 2wfh s ARG 885 CO 0.35 0.11 1.25 0.00 0.02 0.00 0.00 175.30 177.03 2wfh h ALA 887 N 5.38 0.69 0.00 0.00 0.00 -1.32 0.32 119.26 124.34 2wfh h ALA 887 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wfh h ALA 887 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wfh h ALA 887 CO 0.76 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2wfh n GLY 888 N 1.16 -1.30 3.82 0.00 0.00 -1.23 -4.25 105.19 103.38 2wfh n GLY 888 Ca 0.01 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 3.62 5.38 1.61 0.04 -1.26 -0.76 135.00 142.88 2wfh s PRO 889 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2wfh s PRO 889 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2wfh s PRO 889 CO 0.00 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2wfh n GLY 890 N -1.19 3.54 0.05 0.56 0.00 -1.26 -1.39 105.19 105.50 2wfh n GLY 890 Ca 0.08 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2wfh n GLY 890 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wfh n GLU 891 N 14.00 0.07 0.17 1.61 -0.58 -1.26 -2.19 120.64 132.46 2wfh n GLU 891 Ca 0.00 0.39 0.13 0.00 -0.42 0.00 0.00 57.16 57.26 2wfh n GLU 891 Cb 0.00 -1.66 0.47 0.00 -0.57 0.00 0.00 31.44 29.69 2wfh n GLU 891 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2wfh h MET 892 N 0.00 0.00 -6.18 3.49 2.86 -1.54 -3.45 114.93 110.11 2wfh h MET 892 Ca 0.00 0.00 -0.73 0.00 -2.06 0.00 0.00 59.70 56.91 2wfh h MET 892 Cb 0.21 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.90 2wfh h MET 892 CO 0.00 0.00 0.63 0.00 1.06 0.00 0.00 176.91 178.60 2wfh n ALA 893 N -1.90 -0.89 -0.97 6.32 0.00 -0.93 -1.67 120.51 120.48 2wfh n ALA 893 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wfh n ALA 893 Cb 0.34 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.73 -2.39 -4.83 0.00 8.00 0.11 -4.94 116.55 116.23 2wfh n ASP 894 Ca 0.23 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 2wfh n ASP 894 Cb 0.14 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 40.35 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 -0.29 4.09 0.20 -1.24 -0.14 -0.67 -4.81 119.74 116.88 2wfh s LYS 895 Ca 0.00 0.63 -0.30 0.00 -1.36 0.00 0.00 55.97 54.94 2wfh s LYS 895 Cb 0.00 -3.00 -0.08 0.00 -1.68 0.00 0.00 37.83 33.06 2wfh s LYS 895 CO 0.00 0.51 1.20 -0.51 -0.76 0.00 0.00 175.35 175.78 2wfh s LEU 896 N -1.73 4.46 0.13 3.17 1.43 -1.26 -0.48 118.68 124.39 2wfh s LEU 896 Ca 0.36 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2wfh s LEU 896 Cb -0.16 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2wfh s LEU 896 CO 0.19 -0.36 1.72 0.25 0.23 0.00 0.00 176.35 178.38 2wfh h LEU 897 N 5.09 0.45 -0.58 1.79 5.85 -1.74 -2.17 115.31 124.01 2wfh h LEU 897 Ca -0.45 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.28 2wfh h LEU 897 Cb 1.21 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 2wfh h LEU 897 CO 0.74 0.44 -0.10 0.25 -0.34 0.00 0.00 178.44 179.43 2wfh h LEU 898 N 0.44 -0.45 -0.08 2.25 5.85 -1.93 -3.32 115.31 118.07 2wfh h LEU 898 Ca 0.12 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2wfh h LEU 898 Cb 0.10 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2wfh h LEU 898 CO -0.02 -0.17 -0.10 0.35 -0.34 0.00 0.00 178.44 178.17 2wfh n THR 899 N -5.36 0.00 -2.27 1.05 -2.24 -1.23 -4.67 114.28 99.57 2wfh n THR 899 Ca 0.07 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 2wfh n THR 899 Cb 0.31 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.14 3.76 0.36 4.28 2.01 -0.82 -4.92 115.64 119.16 2wfh s THR 900 Ca 0.01 1.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.90 2wfh s THR 900 Cb 0.02 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 2wfh s THR 900 CO 0.09 0.02 1.45 -2.65 -0.69 0.00 0.00 174.62 172.85 2wfh n PRO 901 N 4.94 2.54 0.24 4.92 -0.02 -1.26 -4.87 135.00 141.49 2wfh n PRO 901 Ca 0.12 0.89 0.13 0.00 -2.02 0.00 0.00 63.50 62.62 2wfh n PRO 901 Cb 0.44 -2.59 0.76 0.00 -0.02 0.00 0.00 33.50 32.09 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 3.10 0.00 -0.01 2.55 0.02 -1.93 -1.42 113.55 115.86 2wfh h SER 902 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2wfh h SER 902 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2wfh h SER 902 CO 0.66 0.00 0.03 0.50 -1.14 0.00 0.00 176.83 176.88 2wfh h LYS 903 N 0.00 0.00 -0.00 3.45 3.64 -1.97 -1.36 116.57 120.32 2wfh h LYS 903 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wfh h LYS 903 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wfh h LYS 903 CO -0.00 0.00 -0.22 1.63 -2.27 0.00 0.00 179.45 178.59 2wfh n LYS 904 N -3.22 0.18 -2.87 1.90 4.76 -0.54 -4.60 118.16 113.78 2wfh n LYS 904 Ca -0.03 -0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 54.91 2wfh n LYS 904 Cb 0.11 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.86 3.04 0.21 2.13 0.08 -0.51 -4.93 117.98 115.12 2wfh s PHE 905 Ca 0.17 -1.33 0.09 0.00 0.12 0.00 0.00 56.93 55.98 2wfh s PHE 905 Cb 0.19 -4.35 -0.05 0.00 -0.57 0.00 0.00 43.02 38.24 2wfh s PHE 905 CO 0.58 -1.56 -0.18 0.95 -0.10 0.00 0.00 175.22 174.92 2wfh s THR 906 N 3.01 1.98 0.00 0.64 -4.23 -1.26 -3.64 115.64 112.15 2wfh s THR 906 Ca 0.35 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2wfh s THR 906 Cb -0.04 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2wfh s THR 906 CO -0.09 -0.41 0.37 0.00 -0.54 0.00 0.00 174.62 173.95