#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5x s ILE 717 N 0.00 4.89 -0.23 -0.61 1.01 -1.26 -4.00 121.20 121.01 2q5x s ILE 717 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 2q5x s ILE 717 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2q5x s ILE 717 CO 0.00 -0.29 0.05 -0.63 0.00 0.00 0.00 174.94 174.07 2q5x s ILE 718 N 2.70 4.29 -0.27 2.92 1.01 -0.60 -4.97 121.20 126.28 2q5x s ILE 718 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2q5x s ILE 718 Cb -0.14 -2.98 0.15 0.00 0.01 0.00 0.00 42.46 39.49 2q5x s ILE 718 CO 0.14 0.38 0.42 -0.22 0.00 0.00 0.00 174.94 175.66 2q5x s LEU 719 N 1.31 -0.82 0.00 2.97 2.96 -1.26 -0.04 118.68 123.80 2q5x s LEU 719 Ca 0.05 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2q5x s LEU 719 Cb -0.15 1.28 0.00 0.00 0.50 0.00 0.00 46.19 47.83 2q5x s LEU 719 CO 0.03 -0.31 0.00 0.35 -1.32 0.00 0.00 176.35 175.10 2q5x n THR 720 N 5.37 0.00 -1.67 3.68 -2.24 -1.26 -5.02 114.28 113.14 2q5x n THR 720 Ca -0.02 -0.04 -0.47 0.00 -2.27 0.00 0.00 64.05 61.25 2q5x n THR 720 Cb 0.50 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 2q5x n THR 720 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2q5x n LYS 721 N -1.07 2.12 -1.72 -0.78 5.02 -1.26 -4.87 118.16 115.60 2q5x n LYS 721 Ca 0.00 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.64 2q5x n LYS 721 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 2q5x n LYS 721 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q5x s VAL 722 N 1.63 2.10 0.00 -0.18 1.01 -1.26 -2.20 120.40 121.50 2q5x s VAL 722 Ca 0.82 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2q5x s VAL 722 Cb -0.69 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2q5x s VAL 722 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2q5x n GLY 723 N 4.03 3.06 3.84 4.51 0.00 -1.26 -5.00 105.19 114.37 2q5x n GLY 723 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2q5x n GLY 723 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q5x s TYR 724 N -2.80 3.37 0.23 1.61 1.51 -0.93 -0.97 117.35 119.36 2q5x s TYR 724 Ca 0.00 1.31 -0.18 0.00 -1.01 0.00 0.00 57.07 57.19 2q5x s TYR 724 Cb 0.00 -2.61 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 2q5x s TYR 724 CO 0.00 0.01 0.57 1.52 -1.11 0.00 0.00 175.55 176.54 2q5x s TYR 725 N -2.09 -0.04 0.21 2.71 -0.85 0.01 -4.96 117.35 112.34 2q5x s TYR 725 Ca 0.56 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.79 2q5x s TYR 725 Cb -0.10 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 2q5x s TYR 725 CO 0.18 -1.02 0.04 0.95 -1.52 0.00 0.00 175.55 174.18 2q5x s THR 726 N -3.91 0.63 -0.10 -3.49 -4.23 -1.26 -0.96 115.64 102.31 2q5x s THR 726 Ca 0.12 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2q5x s THR 726 Cb -0.02 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.51 2q5x s THR 726 CO 0.02 -0.26 0.06 -0.63 -0.54 0.00 0.00 174.62 173.27 2q5x s ILE 727 N -3.69 0.06 0.71 2.99 1.01 0.11 -2.81 121.20 119.58 2q5x s ILE 727 Ca 0.30 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 2q5x s ILE 727 Cb 0.07 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.11 2q5x s ILE 727 CO 0.08 0.01 1.19 -2.65 0.00 0.00 0.00 174.94 173.58 2q5x n PRO 728 N 5.24 0.69 -1.68 2.79 -0.02 -1.26 -1.49 135.00 139.26 2q5x n PRO 728 Ca -0.06 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2q5x n PRO 728 Cb 0.49 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.61 2q5x n PRO 728 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2q5x n SER 729 N -2.27 1.64 0.00 2.55 3.41 -1.12 -4.85 113.62 112.98 2q5x n SER 729 Ca 0.15 0.81 0.14 0.00 -0.26 0.00 0.00 58.87 59.71 2q5x n SER 729 Cb 0.49 -1.51 0.59 0.00 -0.26 0.00 0.00 64.21 63.52 2q5x n SER 729 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2q5x h MET 730 N 0.46 0.20 0.00 4.33 2.86 -1.97 0.09 114.93 120.89 2q5x h MET 730 Ca -0.50 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 2q5x h MET 730 Cb 1.35 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 2q5x h MET 730 CO 0.52 0.13 -0.05 -0.44 1.06 0.00 0.00 176.91 178.13 2q5x h ASP 731 N 0.20 0.00 0.10 1.22 3.32 -1.96 -2.73 116.42 116.58 2q5x h ASP 731 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2q5x h ASP 731 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2q5x h ASP 731 CO -0.04 0.05 -0.84 0.47 -1.72 0.00 0.00 179.24 177.16 2q5x n ASP 732 N -3.29 1.01 -0.32 6.45 8.00 0.00 -4.48 116.55 123.91 2q5x n ASP 732 Ca -0.01 -0.91 -0.03 0.00 0.71 0.00 0.00 54.79 54.55 2q5x n ASP 732 Cb 0.22 0.79 0.11 0.00 -0.02 0.00 0.00 41.12 42.22 2q5x n ASP 732 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2q5x h LEU 733 N 0.26 1.10 -0.39 0.64 3.38 -1.33 -2.05 115.31 116.92 2q5x h LEU 733 Ca 0.00 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2q5x h LEU 733 Cb 0.52 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2q5x h LEU 733 CO 0.00 0.87 0.12 0.00 0.09 0.00 0.00 178.44 179.52 2q5x h ALA 734 N 1.31 0.45 -0.56 1.53 0.00 -1.79 -0.63 119.26 119.58 2q5x h ALA 734 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2q5x h ALA 734 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2q5x h ALA 734 CO -0.05 -0.27 0.31 -0.22 0.00 0.00 0.00 179.25 179.01 2q5x h LYS 735 N 0.27 0.77 -0.25 0.00 3.64 -1.76 -2.93 116.57 116.31 2q5x h LYS 735 Ca 0.18 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2q5x h LYS 735 Cb 0.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2q5x h LYS 735 CO -0.20 0.59 -0.12 0.82 -2.27 0.00 0.00 179.45 178.26 2q5x h ILE 736 N 0.75 1.22 -2.73 2.00 2.04 -0.77 -3.44 117.51 116.57 2q5x h ILE 736 Ca 0.20 -0.95 -0.59 0.00 1.00 0.00 0.00 64.86 64.51 2q5x h ILE 736 Cb 0.03 1.16 0.11 0.00 -0.74 0.00 0.00 36.82 37.39 2q5x h ILE 736 CO -0.03 0.31 0.22 0.41 0.00 0.00 0.00 178.15 179.05 2q5x n THR 737 N -4.22 2.04 -2.69 -0.27 -1.04 -0.30 -4.72 114.28 103.07 2q5x n THR 737 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.29 2q5x n THR 737 Cb 0.30 -1.15 0.11 0.00 -1.82 0.00 0.00 70.33 67.77 2q5x n THR 737 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2q5x n ASN 738 N 1.04 1.47 0.22 8.00 0.23 0.19 -4.93 115.26 121.49 2q5x n ASN 738 Ca 0.08 -2.19 0.15 0.00 -0.53 0.00 0.00 54.58 52.09 2q5x n ASN 738 Cb 0.34 -0.59 0.79 0.00 -2.08 0.00 0.00 39.78 38.24 2q5x n ASN 738 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2q5x h GLU 739 N 0.00 0.00 -0.02 -3.83 9.09 -1.93 0.50 114.58 118.39 2q5x h GLU 739 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2q5x h GLU 739 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2q5x h GLU 739 CO 0.35 0.00 -0.00 1.63 0.05 0.00 0.00 179.01 181.04 2q5x n LYS 740 N -2.57 1.80 -0.88 1.06 5.02 -1.26 -4.92 118.16 116.41 2q5x n LYS 740 Ca -0.01 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 2q5x n LYS 740 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2q5x n LYS 740 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q5x n GLY 741 N 1.22 0.58 3.77 0.72 0.00 0.17 -5.03 105.19 106.61 2q5x n GLY 741 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2q5x n GLY 741 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q5x s GLU 742 N -0.12 4.15 -0.59 1.61 2.02 -1.26 -4.81 118.70 119.70 2q5x s GLU 742 Ca 0.00 0.33 -0.05 0.00 0.02 0.00 0.00 54.97 55.27 2q5x s GLU 742 Cb 0.00 -3.35 0.15 0.00 0.10 0.00 0.00 34.13 31.03 2q5x s GLU 742 CO 0.00 0.38 0.43 0.00 0.02 0.00 0.00 175.26 176.09 2q5x s ILE 744 N 0.35 3.70 0.05 0.00 1.01 -1.26 -1.08 121.20 123.97 2q5x s ILE 744 Ca 0.14 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2q5x s ILE 744 Cb -0.20 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2q5x s ILE 744 CO -0.04 0.45 -0.17 0.68 0.00 0.00 0.00 174.94 175.86 2q5x s VAL 745 N 0.88 2.84 -0.47 2.92 -7.23 -0.82 -4.94 120.40 113.59 2q5x s VAL 745 Ca -0.00 -1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 2q5x s VAL 745 Cb -0.15 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.61 2q5x s VAL 745 CO 0.01 0.29 0.67 -0.94 -0.31 0.00 0.00 175.10 174.82 2q5x s SER 746 N -1.58 6.29 0.02 4.85 1.04 -1.26 -1.53 113.70 121.52 2q5x s SER 746 Ca 0.15 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2q5x s SER 746 Cb -0.11 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2q5x s SER 746 CO 0.06 -0.86 0.00 0.47 0.98 0.00 0.00 173.24 173.89 2q5x n ASP 747 N 6.36 -2.44 -3.94 7.02 8.00 0.79 -4.86 116.55 127.47 2q5x n ASP 747 Ca -0.03 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.40 2q5x n ASP 747 Cb 0.47 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 41.02 2q5x n ASP 747 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2q5x s PHE 748 N -0.50 0.39 -0.02 1.24 5.36 0.70 -4.57 117.98 120.59 2q5x s PHE 748 Ca 0.00 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2q5x s PHE 748 Cb 0.00 -0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.42 2q5x s PHE 748 CO 0.00 -0.01 -0.11 0.99 -1.46 0.00 0.00 175.22 174.63 2q5x s THR 749 N -0.07 0.88 -0.05 0.12 2.01 -0.55 0.71 115.64 118.68 2q5x s THR 749 Ca 0.01 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2q5x s THR 749 Cb -0.02 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2q5x s THR 749 CO -0.00 0.26 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.58 2q5x s ILE 750 N -0.07 0.90 0.31 1.82 2.07 -0.77 -0.71 121.20 124.75 2q5x s ILE 750 Ca 0.01 -0.36 -0.03 0.00 -1.41 0.00 0.00 60.65 58.86 2q5x s ILE 750 Cb -0.06 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2q5x s ILE 750 CO 0.00 0.29 0.42 -0.83 -1.91 0.00 0.00 174.94 172.91 2q5x s GLY 751 N 0.58 1.41 -0.17 1.50 0.00 -0.14 -0.83 107.32 109.68 2q5x s GLY 751 Ca -0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 2q5x s GLY 751 CO 0.02 -1.03 0.01 -1.60 0.00 0.00 0.00 173.10 170.50 2q5x s ARG 752 N -3.38 0.84 -0.25 2.90 3.52 0.14 -0.81 118.95 121.91 2q5x s ARG 752 Ca 0.31 -0.36 -0.40 0.00 -0.13 0.00 0.00 55.73 55.15 2q5x s ARG 752 Cb 0.01 -1.89 -0.16 0.00 -1.56 0.00 0.00 34.95 31.35 2q5x s ARG 752 CO 0.18 -0.53 1.69 1.63 -0.81 0.00 0.00 175.30 177.46 2q5x n LYS 753 N 5.02 1.10 0.00 5.12 5.02 -0.14 -0.73 118.16 133.55 2q5x n LYS 753 Ca -0.09 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2q5x n LYS 753 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2q5x n LYS 753 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q5x n GLY 754 N 3.99 2.49 0.23 0.72 0.00 -1.26 -4.82 105.19 106.54 2q5x n GLY 754 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 2q5x n GLY 754 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q5x n TYR 755 N -2.00 0.00 -1.37 1.61 4.02 0.09 -4.38 117.16 115.13 2q5x n TYR 755 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2q5x n TYR 755 Cb 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.54 2q5x n TYR 755 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2q5x n GLY 756 N 2.03 -2.27 3.38 2.72 0.00 -0.78 -1.00 105.19 109.26 2q5x n GLY 756 Ca -0.40 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 2q5x n GLY 756 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q5x s SER 757 N -1.40 -0.43 -0.10 1.61 1.04 0.45 -0.69 113.70 114.18 2q5x s SER 757 Ca 0.00 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.31 2q5x s SER 757 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 2q5x s SER 757 CO 0.00 -0.91 -0.10 -0.63 0.98 0.00 0.00 173.24 172.57 2q5x s ILE 758 N -3.72 1.15 -0.19 -1.02 1.01 -0.01 -0.50 121.20 117.92 2q5x s ILE 758 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2q5x s ILE 758 Cb 0.00 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2q5x s ILE 758 CO -0.12 0.38 0.01 -0.47 0.00 0.00 0.00 174.94 174.74 2q5x s TYR 759 N 1.25 3.09 -0.26 3.97 5.04 0.20 -1.85 117.35 128.80 2q5x s TYR 759 Ca -0.03 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2q5x s TYR 759 Cb -0.14 -2.07 0.03 0.00 0.35 0.00 0.00 41.96 40.13 2q5x s TYR 759 CO -0.04 -0.12 -0.06 -0.06 -1.34 0.00 0.00 175.55 173.94 2q5x s PHE 760 N 0.78 3.11 0.19 4.97 0.40 0.22 -0.93 117.98 126.71 2q5x s PHE 760 Ca 0.01 -1.68 -0.24 0.00 -0.60 0.00 0.00 56.93 54.42 2q5x s PHE 760 Cb -0.14 -2.05 -0.08 0.00 0.51 0.00 0.00 43.02 41.26 2q5x s PHE 760 CO 0.02 -0.76 0.78 -2.00 0.70 0.00 0.00 175.22 173.96 2q5x s GLU 761 N 1.29 4.52 0.04 0.44 2.12 -1.26 -0.22 118.70 125.63 2q5x s GLU 761 Ca -0.01 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.44 2q5x s GLU 761 Cb -0.17 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2q5x s GLU 761 CO -0.04 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 2q5x n GLY 762 N 1.39 -3.19 3.70 -1.50 0.00 -1.26 -4.83 105.19 99.50 2q5x n GLY 762 Ca -0.05 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2q5x n GLY 762 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q5x s ASP 763 N -1.76 6.93 -0.07 1.61 1.11 -1.26 -0.15 116.67 123.08 2q5x s ASP 763 Ca 0.00 2.11 0.02 0.00 0.18 0.00 0.00 52.55 54.86 2q5x s ASP 763 Cb 0.00 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.43 2q5x s ASP 763 CO 0.00 -0.61 -0.11 -0.69 1.18 0.00 0.00 175.17 174.94 2q5x s VAL 764 N 1.60 1.12 -0.55 -1.27 1.01 -0.58 -4.96 120.40 116.78 2q5x s VAL 764 Ca 0.62 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2q5x s VAL 764 Cb -0.32 -1.05 0.06 0.00 0.00 0.00 0.00 36.38 35.08 2q5x s VAL 764 CO 0.28 0.36 0.76 0.21 0.00 0.00 0.00 175.10 176.70 2q5x s ASN 765 N 0.85 6.24 0.00 3.32 3.84 -1.26 -1.94 114.94 125.99 2q5x s ASN 765 Ca -0.11 -0.87 0.29 0.00 0.21 0.00 0.00 52.86 52.39 2q5x s ASN 765 Cb -0.15 -2.34 1.28 0.00 -0.55 0.00 0.00 41.25 39.49 2q5x s ASN 765 CO 0.01 -1.08 1.88 0.18 -2.79 0.00 0.00 177.10 175.31 2q5x n LEU 766 N 6.70 0.86 -4.66 3.21 4.77 -0.24 -4.92 117.00 122.72 2q5x n LEU 766 Ca -0.05 -0.25 -0.54 0.00 -0.03 0.00 0.00 56.01 55.14 2q5x n LEU 766 Cb 0.45 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2q5x n LEU 766 CO 0.58 0.15 1.17 0.41 -1.33 0.00 0.00 177.39 178.37 2q5x n THR 767 N -0.42 0.19 -1.42 -5.08 -1.04 -1.24 -1.67 114.28 103.60 2q5x n THR 767 Ca 0.19 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 62.02 2q5x n THR 767 Cb 0.27 -1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 67.61 2q5x n THR 767 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2q5x n ASN 768 N 4.28 -5.57 -4.70 8.00 3.02 -1.26 -4.96 115.26 114.07 2q5x n ASN 768 Ca 0.23 0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 54.72 2q5x n ASN 768 Cb 0.17 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 34.89 2q5x n ASN 768 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q5x s LEU 769 N -3.38 4.34 -0.89 3.41 1.43 -0.67 -4.84 118.68 118.08 2q5x s LEU 769 Ca 0.00 1.70 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 2q5x s LEU 769 Cb 0.00 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.81 2q5x s LEU 769 CO 0.00 -0.35 1.01 0.21 0.23 0.00 0.00 176.35 177.45 2q5x s ASN 770 N 1.07 6.65 0.45 2.29 3.84 -1.26 -1.56 114.94 126.41 2q5x s ASN 770 Ca 0.53 -2.20 0.15 0.00 0.21 0.00 0.00 52.86 51.54 2q5x s ASN 770 Cb -0.22 -2.34 1.00 0.00 -0.55 0.00 0.00 41.25 39.14 2q5x s ASN 770 CO 0.26 -0.93 1.99 -0.07 -2.79 0.00 0.00 177.10 175.56 2q5x h LEU 771 N 9.64 0.00 -0.57 3.21 3.38 -0.83 -1.99 115.31 128.14 2q5x h LEU 771 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2q5x h LEU 771 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2q5x h LEU 771 CO 1.00 0.19 0.36 0.44 0.09 0.00 0.00 178.44 180.52 2q5x h ASP 772 N 0.00 0.60 1.08 -0.43 3.32 -1.73 -0.51 116.42 118.74 2q5x h ASP 772 Ca -0.00 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2q5x h ASP 772 Cb 0.34 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2q5x h ASP 772 CO 0.02 0.42 -0.95 0.44 -1.72 0.00 0.00 179.24 177.45 2q5x h ASP 773 N 0.72 0.00 0.09 6.45 3.32 -1.81 -3.38 116.42 121.81 2q5x h ASP 773 Ca 0.22 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 2q5x h ASP 773 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2q5x h ASP 773 CO -0.08 0.79 -0.65 0.40 -1.72 0.00 0.00 179.24 177.98 2q5x h ILE 774 N 0.00 1.52 -3.67 0.35 2.04 -1.20 -3.40 117.51 113.15 2q5x h ILE 774 Ca -0.05 -2.44 -0.63 0.00 1.00 0.00 0.00 64.86 62.74 2q5x h ILE 774 Cb 1.65 3.16 -0.16 0.00 -0.74 0.00 0.00 36.82 40.73 2q5x h ILE 774 CO 0.09 0.66 -0.52 -0.69 0.00 0.00 0.00 178.15 177.70 2q5x s VAL 775 N -2.36 5.29 -0.30 1.67 1.01 -0.22 -0.31 120.40 125.18 2q5x s VAL 775 Ca -0.17 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2q5x s VAL 775 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 33.00 2q5x s VAL 775 CO 0.77 0.32 0.08 -1.00 0.00 0.00 0.00 175.10 175.26 2q5x s HIS 776 N 1.26 2.03 -0.22 5.22 3.76 0.09 -4.78 115.29 122.64 2q5x s HIS 776 Ca 0.07 -1.88 -0.05 0.00 -0.15 0.00 0.00 55.06 53.05 2q5x s HIS 776 Cb -0.14 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 2q5x s HIS 776 CO 0.06 -0.87 -0.01 0.42 -0.85 0.00 0.00 174.74 173.50 2q5x s ILE 777 N 1.51 3.68 0.35 0.60 1.01 -1.26 -0.81 121.20 126.27 2q5x s ILE 777 Ca 0.08 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2q5x s ILE 777 Cb -0.18 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 2q5x s ILE 777 CO -0.20 0.40 0.12 0.54 0.00 0.00 0.00 174.94 175.80 2q5x n ARG 778 N 4.75 0.64 -1.84 2.79 1.74 -0.37 -4.95 116.66 119.42 2q5x n ARG 778 Ca -0.18 -2.92 -0.42 0.00 -0.77 0.00 0.00 57.85 53.56 2q5x n ARG 778 Cb 0.51 1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 33.50 2q5x n ARG 778 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2q5x s ARG 779 N -3.32 4.17 -1.87 5.56 6.06 -1.26 -2.53 118.95 125.76 2q5x s ARG 779 Ca 0.17 2.41 0.00 0.00 -2.50 0.00 0.00 55.73 55.82 2q5x s ARG 779 Cb 0.01 -3.93 0.00 0.00 0.06 0.00 0.00 34.95 31.09 2q5x s ARG 779 CO 0.12 -0.86 0.00 1.63 -2.50 0.00 0.00 175.30 173.69 2q5x n LYS 780 N 6.82 -1.34 -3.52 5.12 5.02 -1.26 -4.93 118.16 124.07 2q5x n LYS 780 Ca 0.18 1.08 -0.15 0.00 -2.02 0.00 0.00 58.31 57.40 2q5x n LYS 780 Cb 0.41 -5.44 -0.05 0.00 -0.02 0.00 0.00 35.03 29.93 2q5x n LYS 780 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2q5x s GLU 781 N -3.95 0.97 -0.03 1.97 -1.05 -1.05 -0.04 118.70 115.53 2q5x s GLU 781 Ca 0.00 0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 54.89 2q5x s GLU 781 Cb 0.00 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 2q5x s GLU 781 CO 0.00 -0.33 0.08 0.54 0.95 0.00 0.00 175.26 176.50 2q5x s VAL 782 N -1.64 0.01 -0.03 1.83 0.11 -0.43 -1.24 120.40 119.01 2q5x s VAL 782 Ca -0.06 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2q5x s VAL 782 Cb -0.00 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.72 2q5x s VAL 782 CO 0.04 -0.05 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.05 2q5x s VAL 783 N -0.12 0.33 -0.22 2.04 1.01 0.01 -2.32 120.40 121.13 2q5x s VAL 783 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2q5x s VAL 783 Cb -0.02 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 36.03 2q5x s VAL 783 CO 0.00 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.49 2q5x s VAL 784 N 0.89 1.72 -0.01 2.92 1.01 -1.26 -0.73 120.40 124.94 2q5x s VAL 784 Ca -0.10 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 2q5x s VAL 784 Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2q5x s VAL 784 CO -0.01 0.08 0.01 -1.22 0.00 0.00 0.00 175.10 173.97 2q5x n TYR 785 N 4.64 -0.25 0.10 5.22 4.02 0.58 -4.72 117.16 126.74 2q5x n TYR 785 Ca -0.14 0.14 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2q5x n TYR 785 Cb 0.45 -1.64 0.06 0.00 -0.02 0.00 0.00 39.34 38.19 2q5x n TYR 785 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2q5x n LEU 786 N 0.09 0.00 0.00 7.72 4.77 -1.26 -4.97 117.00 123.34 2q5x n LEU 786 Ca -0.02 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2q5x n LEU 786 Cb 0.03 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2q5x n LEU 786 CO 0.02 -0.39 0.00 1.17 -1.33 0.00 0.00 177.39 176.86 2q5x n LYS 791 N -1.43 0.00 -1.19 3.23 4.81 -1.26 -5.19 118.16 117.13 2q5x n LYS 791 Ca 0.01 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.14 2q5x n LYS 791 Cb 0.03 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.19 2q5x n LYS 791 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2q5x s PRO 792 N 0.00 1.85 0.87 1.64 0.04 -1.26 -5.00 135.00 133.14 2q5x s PRO 792 Ca 0.00 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.04 2q5x s PRO 792 Cb 0.00 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.80 2q5x s PRO 792 CO 0.00 -1.91 1.16 -2.14 0.04 0.00 0.00 177.00 174.15 2q5x s PRO 793 N -4.88 1.33 0.13 0.56 0.02 -1.26 -4.82 135.00 126.07 2q5x s PRO 793 Ca 0.62 1.58 -0.33 0.00 0.02 0.00 0.00 61.00 62.89 2q5x s PRO 793 Cb -0.18 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.45 2q5x s PRO 793 CO 0.57 -2.40 1.67 0.28 -0.33 0.00 0.00 177.00 176.79 2q5x n VAL 794 N -3.87 0.13 0.00 3.83 0.31 -1.26 -1.32 118.33 116.15 2q5x n VAL 794 Ca 0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2q5x n VAL 794 Cb 0.52 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2q5x n VAL 794 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q5x n GLY 795 N 3.74 2.25 3.79 2.92 0.00 0.32 -4.99 105.19 113.21 2q5x n GLY 795 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2q5x n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q5x s GLU 796 N -0.67 2.91 6.20 1.61 2.02 -0.44 -4.88 118.70 125.46 2q5x s GLU 796 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2q5x s GLU 796 Cb 0.00 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2q5x s GLU 796 CO 0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.25 2q5x n GLY 797 N 0.32 3.21 1.08 -1.39 0.00 -1.26 -1.86 105.19 105.29 2q5x n GLY 797 Ca -0.08 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2q5x n GLY 797 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q5x n LEU 798 N 0.00 3.37 -3.88 0.99 4.77 -1.26 -4.62 117.00 116.37 2q5x n LEU 798 Ca 0.00 -1.57 -0.43 0.00 -0.03 0.00 0.00 56.01 53.98 2q5x n LEU 798 Cb 0.00 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2q5x n LEU 798 CO 0.00 0.75 1.75 -3.20 -1.33 0.00 0.00 177.39 175.35 2q5x n ASN 799 N 1.36 5.56 -2.69 -1.43 5.15 -0.78 -4.85 115.26 117.58 2q5x n ASN 799 Ca 0.18 -3.20 -0.12 0.00 -0.60 0.00 0.00 54.58 50.84 2q5x n ASN 799 Cb 0.57 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.38 2q5x n ASN 799 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2q5x n ARG 800 N 3.06 0.63 -1.67 1.20 1.85 -1.26 -0.52 116.66 119.94 2q5x n ARG 800 Ca 0.37 -2.36 -0.44 0.00 -1.00 0.00 0.00 57.85 54.42 2q5x n ARG 800 Cb 0.35 2.31 -0.02 0.00 -1.05 0.00 0.00 32.46 34.05 2q5x n ARG 800 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2q5x n LYS 801 N -0.49 2.02 -3.54 2.89 4.81 -1.18 -4.09 118.16 118.58 2q5x n LYS 801 Ca -0.00 0.72 -0.09 0.00 -0.87 0.00 0.00 58.31 58.07 2q5x n LYS 801 Cb 0.50 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.19 2q5x n LYS 801 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2q5x s ALA 802 N -0.32 -1.66 -0.24 3.14 0.00 -0.65 -4.67 121.76 117.35 2q5x s ALA 802 Ca 0.65 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 2q5x s ALA 802 Cb -0.63 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2q5x s ALA 802 CO 0.53 -0.80 -0.01 -2.00 0.00 0.00 0.00 175.76 173.47 2q5x s GLU 803 N -3.46 3.24 -0.09 0.00 2.12 -0.11 -0.40 118.70 120.01 2q5x s GLU 803 Ca 0.05 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 2q5x s GLU 803 Cb -0.02 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2q5x s GLU 803 CO -0.07 -0.28 0.21 0.08 -0.54 0.00 0.00 175.26 174.65 2q5x s VAL 804 N 1.46 5.38 -0.10 3.70 1.01 0.51 -0.62 120.40 131.74 2q5x s VAL 804 Ca 0.04 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2q5x s VAL 804 Cb -0.15 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2q5x s VAL 804 CO -0.02 0.61 -0.10 -0.89 0.00 0.00 0.00 175.10 174.70 2q5x s THR 805 N -1.01 1.12 -0.20 3.92 2.01 0.34 -0.99 115.64 120.83 2q5x s THR 805 Ca 0.17 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 2q5x s THR 805 Cb -0.13 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2q5x s THR 805 CO 0.06 0.37 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 2q5x s LEU 806 N 1.29 2.95 0.32 4.42 1.43 -0.17 -0.42 118.68 128.50 2q5x s LEU 806 Ca -0.02 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2q5x s LEU 806 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2q5x s LEU 806 CO -0.04 0.04 0.47 -1.81 0.23 0.00 0.00 176.35 175.24 2q5x s ASP 807 N 1.15 6.11 -1.61 2.29 1.01 -0.17 -0.57 116.67 124.87 2q5x s ASP 807 Ca 0.02 0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.30 2q5x s ASP 807 Cb -0.15 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.20 2q5x s ASP 807 CO -0.01 -0.34 0.36 0.61 0.21 0.00 0.00 175.17 176.00 2q5x n GLY 808 N -1.65 -0.48 3.40 0.21 0.00 -0.03 -4.65 105.19 101.98 2q5x n GLY 808 Ca -0.03 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 2q5x n GLY 808 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q5x s VAL 809 N -3.11 4.68 0.03 1.61 1.01 0.10 -4.90 120.40 119.83 2q5x s VAL 809 Ca 0.18 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2q5x s VAL 809 Cb -0.08 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 2q5x s VAL 809 CO 0.22 -1.26 -0.09 0.26 0.00 0.00 0.00 175.10 174.23 2q5x s TRP 810 N 3.04 0.76 0.84 5.22 0.51 -1.26 -4.59 118.94 123.47 2q5x s TRP 810 Ca 0.17 -0.35 -0.13 0.00 -2.12 0.00 0.00 56.10 53.67 2q5x s TRP 810 Cb -0.20 -0.46 0.11 0.00 -0.81 0.00 0.00 33.47 32.11 2q5x s TRP 810 CO 0.06 -0.03 1.21 -1.25 -0.51 0.00 0.00 176.95 176.42 2q5x s PRO 811 N -1.09 1.68 -0.10 4.98 0.04 -1.26 -4.82 135.00 134.43 2q5x s PRO 811 Ca -0.04 0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.01 2q5x s PRO 811 Cb -0.07 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2q5x s PRO 811 CO 0.00 -1.78 -0.07 0.99 0.04 0.00 0.00 177.00 176.18 2q5x s THR 812 N -3.63 3.63 -0.13 1.26 2.01 -1.26 -1.50 115.64 116.01 2q5x s THR 812 Ca 0.64 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 2q5x s THR 812 Cb -0.10 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2q5x s THR 812 CO 0.50 0.56 1.57 -0.62 -0.69 0.00 0.00 174.62 175.94 2q5x s ASP 813 N -0.33 6.62 0.43 3.53 -1.08 0.26 -4.89 116.67 121.21 2q5x s ASP 813 Ca 0.05 1.94 0.19 0.00 -0.52 0.00 0.00 52.55 54.20 2q5x s ASP 813 Cb -0.13 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.93 2q5x s ASP 813 CO 0.02 -1.01 1.84 0.11 0.52 0.00 0.00 175.17 176.66 2q5x h LYS 814 N 9.70 0.35 0.00 4.34 1.57 -1.97 0.60 116.57 131.16 2q5x h LYS 814 Ca -0.35 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 2q5x h LYS 814 Cb 1.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2q5x h LYS 814 CO 0.97 0.23 -0.59 1.15 -0.57 0.00 0.00 179.45 180.65 2q5x h THR 815 N 0.36 0.46 0.00 -0.16 2.02 -1.97 -3.39 112.91 110.23 2q5x h THR 815 Ca 0.49 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2q5x h THR 815 Cb 1.29 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2q5x h THR 815 CO -0.18 0.15 -0.09 0.77 0.37 0.00 0.00 175.52 176.54 2q5x h SER 816 N -1.00 0.00 -1.79 4.18 4.64 -1.97 -3.46 113.55 114.15 2q5x h SER 816 Ca -0.10 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.88 2q5x h SER 816 Cb 0.70 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 2q5x h SER 816 CO -0.06 0.09 -0.39 0.54 -0.87 0.00 0.00 176.83 176.14 2q5x n ARG 817 N -3.15 -1.28 -4.20 4.77 5.12 0.21 -4.99 116.66 113.14 2q5x n ARG 817 Ca 0.02 0.93 -0.25 0.00 -1.93 0.00 0.00 57.85 56.62 2q5x n ARG 817 Cb 0.49 -5.28 -0.07 0.00 -1.16 0.00 0.00 32.46 26.44 2q5x n ARG 817 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2q5x s LEU 819 N -3.33 3.48 -0.36 0.00 2.34 -1.26 -0.58 118.68 118.97 2q5x s LEU 819 Ca 0.30 2.24 -0.06 0.00 0.06 0.00 0.00 54.13 56.67 2q5x s LEU 819 Cb -0.08 -4.58 0.06 0.00 -0.56 0.00 0.00 46.19 41.03 2q5x s LEU 819 CO 0.21 -1.79 0.14 -0.63 -1.06 0.00 0.00 176.35 173.22 2q5x s ILE 820 N -1.95 3.73 -0.71 1.48 1.01 -0.56 -4.77 121.20 119.42 2q5x s ILE 820 Ca 0.73 -1.36 0.15 0.00 0.00 0.00 0.00 60.65 60.17 2q5x s ILE 820 Cb -0.26 -3.22 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 2q5x s ILE 820 CO 0.39 -0.32 0.63 0.29 0.00 0.00 0.00 174.94 175.93 2q5x n LYS 821 N 4.78 2.11 -1.73 2.79 5.02 -1.26 -4.37 118.16 125.51 2q5x n LYS 821 Ca -0.10 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 2q5x n LYS 821 Cb 0.44 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 2q5x n LYS 821 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2q5x s SER 822 N -2.39 6.20 0.26 4.39 0.15 -1.26 -4.85 113.70 116.21 2q5x s SER 822 Ca 0.06 2.33 -0.03 0.00 0.70 0.00 0.00 55.95 59.01 2q5x s SER 822 Cb 0.11 -2.53 0.41 0.00 -1.71 0.00 0.00 66.02 62.31 2q5x s SER 822 CO 0.60 -1.30 1.85 -0.65 1.20 0.00 0.00 173.24 174.94 2q5x h PRO 823 N 11.67 0.96 -0.32 5.44 0.11 -1.93 0.41 132.00 148.33 2q5x h PRO 823 Ca -0.45 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2q5x h PRO 823 Cb 1.22 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2q5x h PRO 823 CO 0.95 0.63 0.19 -0.44 -0.21 0.00 0.00 178.00 179.13 2q5x h ASP 824 N 0.99 0.31 -0.47 -2.05 3.32 -1.99 -0.31 116.42 116.22 2q5x h ASP 824 Ca 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 2q5x h ASP 824 Cb 0.28 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2q5x h ASP 824 CO -0.21 0.22 0.03 0.03 -1.72 0.00 0.00 179.24 177.60 2q5x h ARG 825 N 0.39 0.80 -0.43 3.56 3.08 -1.80 -0.15 114.38 119.83 2q5x h ARG 825 Ca 0.13 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2q5x h ARG 825 Cb -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2q5x h ARG 825 CO -0.06 0.83 0.29 -0.07 -1.07 0.00 0.00 179.97 179.89 2q5x h LEU 826 N 0.66 0.48 -0.04 3.04 3.38 -0.64 -0.82 115.31 121.37 2q5x h LEU 826 Ca 0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2q5x h LEU 826 Cb 0.45 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2q5x h LEU 826 CO 0.02 0.34 -0.12 0.00 0.09 0.00 0.00 178.44 178.76 2q5x h ALA 827 N 1.73 0.07 -0.97 1.53 0.00 -0.68 -1.54 119.26 119.40 2q5x h ALA 827 Ca 0.16 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2q5x h ALA 827 Cb -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2q5x h ALA 827 CO -0.04 -0.03 0.62 -0.44 0.00 0.00 0.00 179.25 179.36 2q5x h ASP 828 N -0.41 0.88 -0.20 0.00 3.32 -0.30 0.25 116.42 119.96 2q5x h ASP 828 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2q5x h ASP 828 Cb 0.75 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2q5x h ASP 828 CO 0.03 0.49 0.00 2.30 -1.72 0.00 0.00 179.24 180.33 2q5x n ILE 829 N -4.58 0.26 -3.93 0.35 -5.35 -0.38 -4.93 119.36 100.80 2q5x n ILE 829 Ca 0.18 -0.38 -0.29 0.00 -0.27 0.00 0.00 62.75 61.98 2q5x n ILE 829 Cb 0.34 0.36 -0.01 0.00 -1.74 0.00 0.00 39.64 38.60 2q5x n ILE 829 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2q5x n ASN 830 N 0.39 -1.77 -0.26 7.28 5.15 0.07 -4.86 115.26 121.26 2q5x n ASN 830 Ca 0.16 -1.06 -0.05 0.00 -0.60 0.00 0.00 54.58 53.03 2q5x n ASN 830 Cb 0.33 -2.89 0.06 0.00 -0.53 0.00 0.00 39.78 36.75 2q5x n ASN 830 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2q5x h TYR 831 N -1.92 0.95 0.00 1.20 3.20 -1.54 -1.74 116.97 117.11 2q5x h TYR 831 Ca -0.65 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.21 2q5x h TYR 831 Cb 1.38 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 2q5x h TYR 831 CO 0.44 0.63 -0.05 1.05 -1.64 0.00 0.00 178.16 178.59 2q5x h GLU 832 N 0.99 0.00 -0.72 1.82 4.11 -1.89 -1.05 114.58 117.83 2q5x h GLU 832 Ca 0.26 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.62 2q5x h GLU 832 Cb -0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2q5x h GLU 832 CO -0.05 0.05 0.18 0.78 0.07 0.00 0.00 179.01 180.04 2q5x h GLY 833 N 0.18 1.24 0.97 1.06 0.00 -1.68 0.77 103.07 105.62 2q5x h GLY 833 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 2q5x h GLY 833 CO 0.01 0.72 0.17 -0.09 0.00 0.00 0.00 176.54 177.35 2q5x h ARG 834 N 1.09 0.77 -0.56 4.80 2.43 -1.06 -1.88 114.38 119.97 2q5x h ARG 834 Ca 0.23 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2q5x h ARG 834 Cb 0.37 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2q5x h ARG 834 CO 0.00 0.70 0.07 -0.07 -1.51 0.00 0.00 179.97 179.17 2q5x h LEU 835 N 0.67 0.91 -1.02 3.80 3.38 -1.01 -2.26 115.31 119.77 2q5x h LEU 835 Ca 0.16 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2q5x h LEU 835 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2q5x h LEU 835 CO -0.01 0.95 0.07 -0.08 0.09 0.00 0.00 178.44 179.46 2q5x h GLU 836 N 0.83 0.77 -0.64 1.13 4.81 -0.72 -1.25 114.58 119.51 2q5x h GLU 836 Ca 0.17 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2q5x h GLU 836 Cb 0.44 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2q5x h GLU 836 CO 0.01 0.73 0.27 0.00 -0.73 0.00 0.00 179.01 179.30 2q5x h ALA 837 N 1.34 0.83 -0.48 2.92 0.00 -1.09 -1.02 119.26 121.76 2q5x h ALA 837 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2q5x h ALA 837 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2q5x h ALA 837 CO 0.01 0.43 0.13 0.28 0.00 0.00 0.00 179.25 180.10 2q5x h VAL 838 N 0.89 1.23 -0.88 0.00 2.07 -0.97 -1.56 116.25 117.04 2q5x h VAL 838 Ca 0.21 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2q5x h VAL 838 Cb 0.19 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2q5x h VAL 838 CO -0.02 0.29 0.58 0.28 0.02 0.00 0.00 177.57 178.72 2q5x h SER 839 N 0.65 0.98 -0.48 0.57 0.02 -0.89 -0.52 113.55 113.87 2q5x h SER 839 Ca 0.15 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2q5x h SER 839 Cb 0.31 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2q5x h SER 839 CO -0.00 0.69 0.25 0.03 -1.14 0.00 0.00 176.83 176.66 2q5x h ARG 840 N 1.15 0.69 -0.49 3.45 3.08 -0.85 0.93 114.38 122.34 2q5x h ARG 840 Ca 0.33 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2q5x h ARG 840 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2q5x h ARG 840 CO -0.09 0.56 0.27 0.87 -1.07 0.00 0.00 179.97 180.51 2q5x h LYS 841 N 0.64 0.67 -0.16 0.04 1.79 -0.59 -2.16 116.57 116.80 2q5x h LYS 841 Ca 0.17 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2q5x h LYS 841 Cb 0.09 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2q5x h LYS 841 CO -0.02 0.49 0.00 1.04 -1.08 0.00 0.00 179.45 179.88 2q5x n GLN 842 N -4.41 1.56 -1.11 3.15 6.02 -0.27 -4.90 117.38 117.41 2q5x n GLN 842 Ca 0.04 -0.85 -0.04 0.00 -0.01 0.00 0.00 57.00 56.14 2q5x n GLN 842 Cb 0.10 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 2q5x n GLN 842 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2q5x n GLY 843 N 1.02 0.68 3.96 1.08 0.00 -0.81 -5.01 105.19 106.11 2q5x n GLY 843 Ca 0.14 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2q5x n GLY 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5x s ALA 844 N -2.08 4.07 -0.44 4.61 0.00 0.27 -4.78 121.76 123.40 2q5x s ALA 844 Ca 0.00 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.47 2q5x s ALA 844 Cb 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 23.12 21.58 2q5x s ALA 844 CO 0.00 0.08 0.30 -1.14 0.00 0.00 0.00 175.76 175.00 2q5x s GLN 845 N -4.07 2.61 0.28 0.00 2.00 0.37 -4.02 119.66 116.82 2q5x s GLN 845 Ca 0.40 -1.55 -0.30 0.00 -2.00 0.00 0.00 55.36 51.91 2q5x s GLN 845 Cb -0.09 -3.87 -0.12 0.00 0.80 0.00 0.00 33.01 29.73 2q5x s GLN 845 CO 0.30 -1.04 1.47 0.34 -0.50 0.00 0.00 175.29 175.85 2q5x n PHE 846 N 4.95 2.48 -0.05 1.67 7.35 -1.26 -0.65 117.46 131.95 2q5x n PHE 846 Ca -0.10 0.38 -0.11 0.00 -0.76 0.00 0.00 57.45 56.86 2q5x n PHE 846 Cb 0.42 -2.51 -0.04 0.00 0.35 0.00 0.00 39.48 37.70 2q5x n PHE 846 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2q5x n LYS 847 N 1.83 0.23 -3.68 -4.13 4.76 0.21 -4.87 118.16 112.50 2q5x n LYS 847 Ca 0.09 0.10 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 2q5x n LYS 847 Cb 0.34 -0.89 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 2q5x n LYS 847 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2q5x s GLU 848 N -2.20 0.78 -0.08 1.97 -1.05 -1.04 -5.01 118.70 112.07 2q5x s GLU 848 Ca -0.15 -0.43 -0.01 0.00 -0.15 0.00 0.00 54.97 54.23 2q5x s GLU 848 Cb 0.06 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2q5x s GLU 848 CO 0.19 -0.36 -0.03 -0.47 0.95 0.00 0.00 175.26 175.55 2q5x s TYR 849 N -2.84 0.91 -0.49 4.83 5.04 -1.25 -0.87 117.35 122.67 2q5x s TYR 849 Ca 0.13 -0.33 -0.11 0.00 -2.44 0.00 0.00 57.07 54.32 2q5x s TYR 849 Cb 0.02 -0.91 0.12 0.00 0.35 0.00 0.00 41.96 41.54 2q5x s TYR 849 CO -0.01 -0.36 0.39 1.03 -1.34 0.00 0.00 175.55 175.25 2q5x s ARG 850 N 1.77 2.62 0.31 4.97 0.52 0.53 -4.94 118.95 124.72 2q5x s ARG 850 Ca 0.03 -1.74 0.06 0.00 -0.52 0.00 0.00 55.73 53.55 2q5x s ARG 850 Cb -0.13 -4.03 0.73 0.00 0.52 0.00 0.00 34.95 32.04 2q5x s ARG 850 CO -0.05 -1.23 1.79 -1.35 0.02 0.00 0.00 175.30 174.48 2q5x h PRO 851 N 8.57 0.77 -0.98 3.54 0.11 -1.95 0.13 132.00 142.19 2q5x h PRO 851 Ca -0.24 -0.05 0.24 0.00 0.11 0.00 0.00 66.00 66.07 2q5x h PRO 851 Cb 1.08 -0.17 -0.12 0.00 0.11 0.00 0.00 31.00 31.89 2q5x h PRO 851 CO 0.91 0.51 0.56 0.93 -0.21 0.00 0.00 178.00 180.69 2q5x h GLU 852 N 0.79 0.54 0.00 1.05 3.07 -1.92 -2.38 114.58 115.72 2q5x h GLU 852 Ca 0.56 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 2q5x h GLU 852 Cb 0.84 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2q5x h GLU 852 CO -0.35 0.36 0.00 0.25 -1.40 0.00 0.00 179.01 177.87 2q5x n THR 853 N -4.91 0.70 -3.59 1.13 -2.24 -0.98 -4.99 114.28 99.39 2q5x n THR 853 Ca 0.26 -0.80 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 2q5x n THR 853 Cb 0.72 0.67 0.08 0.00 -2.10 0.00 0.00 70.33 69.71 2q5x n THR 853 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q5x n GLY 854 N -0.35 -0.51 3.53 3.38 0.00 0.32 -0.85 105.19 110.70 2q5x n GLY 854 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2q5x n GLY 854 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q5x s SER 855 N -3.50 6.23 -0.36 1.61 0.01 -0.43 0.02 113.70 117.28 2q5x s SER 855 Ca 0.49 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.32 2q5x s SER 855 Cb -0.22 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2q5x s SER 855 CO 0.74 -0.47 0.24 0.86 0.41 0.00 0.00 173.24 175.01 2q5x s TRP 856 N 2.20 3.23 -0.15 2.43 -0.00 0.27 -0.35 118.94 126.57 2q5x s TRP 856 Ca 0.14 -0.48 -0.03 0.00 -0.00 0.00 0.00 56.10 55.73 2q5x s TRP 856 Cb -0.16 -2.49 -0.03 0.00 -0.00 0.00 0.00 33.47 30.80 2q5x s TRP 856 CO 0.13 -0.48 -0.06 0.08 -0.00 0.00 0.00 176.95 176.62 2q5x s VAL 857 N 1.67 3.73 -0.08 5.86 1.01 -0.05 -1.00 120.40 131.54 2q5x s VAL 857 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2q5x s VAL 857 Cb -0.18 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2q5x s VAL 857 CO 0.09 0.50 0.34 0.72 0.00 0.00 0.00 175.10 176.76 2q5x s PHE 858 N 0.32 -0.30 0.04 5.22 -0.12 -0.16 -0.62 117.98 122.37 2q5x s PHE 858 Ca -0.05 0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 57.36 2q5x s PHE 858 Cb -0.14 0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.31 2q5x s PHE 858 CO 0.03 -0.30 0.39 0.21 -0.05 0.00 0.00 175.22 175.50 2q5x s LYS 859 N -0.57 3.78 0.19 1.99 2.20 0.18 -0.36 119.74 127.15 2q5x s LYS 859 Ca -0.07 0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.84 2q5x s LYS 859 Cb -0.04 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 2q5x s LYS 859 CO 0.03 0.61 -0.14 0.14 -0.36 0.00 0.00 175.35 175.63 2q5x s VAL 860 N -1.28 1.64 -0.27 4.02 -7.23 0.47 -0.48 120.40 117.26 2q5x s VAL 860 Ca 0.29 -2.12 0.16 0.00 -1.81 0.00 0.00 61.98 58.50 2q5x s VAL 860 Cb -0.15 -1.95 -0.23 0.00 0.56 0.00 0.00 36.38 34.61 2q5x s VAL 860 CO 0.16 -0.57 0.47 -1.54 -0.31 0.00 0.00 175.10 173.30 2q5x n SER 861 N -0.21 1.07 -3.43 4.85 3.41 -1.26 -1.63 113.62 116.41 2q5x n SER 861 Ca -0.09 -0.30 -0.02 0.00 -0.26 0.00 0.00 58.87 58.20 2q5x n SER 861 Cb 0.60 1.50 0.02 0.00 -0.26 0.00 0.00 64.21 66.06 2q5x n SER 861 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2q5x s HIS 862 N -2.93 0.06 -0.07 7.33 -3.43 -1.26 -3.10 115.29 111.89 2q5x s HIS 862 Ca -0.02 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.82 2q5x s HIS 862 Cb 0.11 0.68 0.02 0.00 -1.43 0.00 0.00 32.58 31.96 2q5x s HIS 862 CO 0.68 -0.82 -0.05 -0.06 -2.00 0.00 0.00 174.74 172.48 2q5x s PHE 863 N -2.15 1.01 0.16 0.38 0.08 -1.26 -4.91 117.98 111.29 2q5x s PHE 863 Ca 0.23 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2q5x s PHE 863 Cb -0.02 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 2q5x s PHE 863 CO 0.04 -0.32 0.00 0.00 -0.10 0.00 0.00 175.22 174.84 2q5x n ALA 864 N 4.56 -2.53 -2.80 5.36 0.00 -1.26 -4.95 120.51 118.89 2q5x n ALA 864 Ca -0.16 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2q5x n ALA 864 Cb 0.50 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2q5x n ALA 864 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2q5x s LYS 865 N -3.46 3.20 0.10 0.00 2.20 -1.26 -4.49 119.74 116.03 2q5x s LYS 865 Ca 0.00 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 2q5x s LYS 865 Cb 0.00 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 2q5x s LYS 865 CO 0.00 0.71 -0.08 0.71 -0.36 0.00 0.00 175.35 176.33 2q5x s TYR 866 N -1.08 0.94 0.00 4.03 1.51 -0.98 -5.02 117.35 116.74 2q5x s TYR 866 Ca 0.18 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 2q5x s TYR 866 Cb -0.12 -0.53 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 2q5x s TYR 866 CO 0.08 -0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 2q5x n GLY 867 N 0.21 1.37 3.45 0.71 0.00 -1.26 -1.31 105.19 108.36 2q5x n GLY 867 Ca -0.14 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 2q5x n GLY 867 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q5x s LEU 868 N 0.00 3.29 -0.94 0.99 2.96 0.95 -4.97 118.68 120.95 2q5x s LEU 868 Ca 0.00 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2q5x s LEU 868 Cb 0.00 -1.84 0.24 0.00 0.50 0.00 0.00 46.19 45.09 2q5x s LEU 868 CO 0.00 0.05 0.87 -1.10 -1.32 0.00 0.00 176.35 174.85 2q5x s GLN 869 N 1.10 3.63 0.00 1.98 -0.21 -1.26 -4.82 119.66 120.07 2q5x s GLN 869 Ca 0.03 -3.03 0.00 0.00 0.02 0.00 0.00 55.36 52.38 2q5x s GLN 869 Cb -0.14 -4.25 0.00 0.00 1.00 0.00 0.00 33.01 29.61 2q5x s GLN 869 CO 0.02 -1.25 0.38 -0.25 -2.12 0.00 0.00 175.29 172.06