#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5y s HIS 713 N 0.00 2.50 -0.35 3.17 2.46 -1.26 -4.88 115.29 116.93 2q5y s HIS 713 Ca 0.00 0.71 0.11 0.00 0.47 0.00 0.00 55.06 56.35 2q5y s HIS 713 Cb 0.00 -3.72 0.58 0.00 -0.13 0.00 0.00 32.58 29.31 2q5y s HIS 713 CO 0.00 -2.44 1.26 -0.35 -2.47 0.00 0.00 174.74 170.74 2q5y n PRO 714 N 6.96 0.07 0.00 2.88 -0.04 -1.26 -0.49 135.00 143.13 2q5y n PRO 714 Ca 0.16 0.52 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 2q5y n PRO 714 Cb 0.45 -1.87 0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2q5y n PRO 714 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2q5y n ALA 715 N -1.57 2.67 -1.10 0.55 0.00 -1.26 -4.36 120.51 115.45 2q5y n ALA 715 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 2q5y n ALA 715 Cb 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 2q5y n ALA 715 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q5y n GLY 716 N 1.12 0.56 3.71 0.00 0.00 0.36 -1.22 105.19 109.72 2q5y n GLY 716 Ca 0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2q5y n GLY 716 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q5y s ILE 717 N -1.81 4.62 -0.20 -0.61 1.01 -1.26 -4.10 121.20 118.86 2q5y s ILE 717 Ca 0.00 1.88 -0.05 0.00 0.00 0.00 0.00 60.65 62.49 2q5y s ILE 717 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2q5y s ILE 717 CO 0.00 0.13 -0.01 -0.63 0.00 0.00 0.00 174.94 174.43 2q5y s ILE 718 N 1.11 3.88 -0.27 2.92 1.01 -0.43 -4.80 121.20 124.61 2q5y s ILE 718 Ca 0.54 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 2q5y s ILE 718 Cb -0.23 -2.75 0.15 0.00 0.01 0.00 0.00 42.46 39.64 2q5y s ILE 718 CO 0.28 0.43 0.51 -0.22 0.00 0.00 0.00 174.94 175.95 2q5y s LEU 719 N 0.98 -1.01 0.00 2.97 2.96 -1.26 -0.02 118.68 123.29 2q5y s LEU 719 Ca 0.01 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 2q5y s LEU 719 Cb -0.14 1.76 0.00 0.00 0.50 0.00 0.00 46.19 48.30 2q5y s LEU 719 CO 0.02 -0.26 0.00 0.35 -1.32 0.00 0.00 176.35 175.13 2q5y n THR 720 N 5.41 0.00 -1.65 3.68 -2.24 -1.26 -5.01 114.28 113.20 2q5y n THR 720 Ca -0.05 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.25 2q5y n THR 720 Cb 0.50 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 2q5y n THR 720 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2q5y n LYS 721 N -0.57 1.86 -1.69 -0.78 5.02 -1.26 -4.88 118.16 115.85 2q5y n LYS 721 Ca 0.00 0.67 -0.44 0.00 -2.02 0.00 0.00 58.31 56.53 2q5y n LYS 721 Cb 0.01 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.59 2q5y n LYS 721 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2q5y n VAL 722 N 3.32 1.33 0.00 -0.18 0.31 -1.26 -2.42 118.33 119.42 2q5y n VAL 722 Ca 0.18 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2q5y n VAL 722 Cb 0.26 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2q5y n VAL 722 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q5y n GLY 723 N 1.67 3.27 3.80 2.92 0.00 -1.26 -4.96 105.19 110.63 2q5y n GLY 723 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2q5y n GLY 723 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q5y s TYR 724 N -2.15 3.73 0.20 1.61 1.51 -1.02 -0.70 117.35 120.53 2q5y s TYR 724 Ca 0.00 1.46 -0.14 0.00 -1.01 0.00 0.00 57.07 57.38 2q5y s TYR 724 Cb 0.00 -2.66 0.01 0.00 -0.11 0.00 0.00 41.96 39.20 2q5y s TYR 724 CO 0.00 0.39 0.44 1.52 -1.11 0.00 0.00 175.55 176.80 2q5y s TYR 725 N -1.40 0.13 0.21 2.71 -0.85 -0.21 -4.93 117.35 113.00 2q5y s TYR 725 Ca 0.40 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.53 2q5y s TYR 725 Cb -0.19 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 2q5y s TYR 725 CO 0.22 -0.87 -0.10 0.95 -1.52 0.00 0.00 175.55 174.23 2q5y s THR 726 N -3.93 1.50 -0.14 -3.49 -4.23 -1.26 -1.33 115.64 102.77 2q5y s THR 726 Ca 0.14 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2q5y s THR 726 Cb 0.00 -2.12 0.05 0.00 1.34 0.00 0.00 72.50 71.77 2q5y s THR 726 CO 0.00 -0.54 0.05 -0.63 -0.54 0.00 0.00 174.62 172.97 2q5y s ILE 727 N -3.12 0.17 0.78 2.99 1.01 0.23 -2.56 121.20 120.71 2q5y s ILE 727 Ca 0.23 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 2q5y s ILE 727 Cb 0.02 -0.63 0.06 0.00 0.01 0.00 0.00 42.46 41.92 2q5y s ILE 727 CO 0.07 -0.08 1.13 -2.65 0.00 0.00 0.00 174.94 173.41 2q5y n PRO 728 N 5.19 0.31 -1.02 2.79 -0.02 -1.26 -0.86 135.00 140.12 2q5y n PRO 728 Ca -0.07 0.17 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 2q5y n PRO 728 Cb 0.49 -2.38 0.13 0.00 -0.02 0.00 0.00 33.50 31.72 2q5y n PRO 728 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2q5y s SER 729 N -1.96 3.52 0.43 2.55 1.04 -1.06 -4.63 113.70 113.59 2q5y s SER 729 Ca 0.74 2.25 0.18 0.00 0.48 0.00 0.00 55.95 59.59 2q5y s SER 729 Cb -0.31 -2.57 1.09 0.00 0.10 0.00 0.00 66.02 64.33 2q5y s SER 729 CO 0.50 -2.71 1.88 0.24 0.98 0.00 0.00 173.24 174.14 2q5y h MET 730 N -1.19 0.38 0.09 4.02 2.86 -1.98 0.15 114.93 119.26 2q5y h MET 730 Ca -0.45 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2q5y h MET 730 Cb 1.28 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2q5y h MET 730 CO 0.45 0.25 -0.04 -0.44 1.06 0.00 0.00 176.91 178.19 2q5y h ASP 731 N 0.39 -0.10 -0.83 1.22 3.32 -1.96 -1.29 116.42 117.16 2q5y h ASP 731 Ca 0.43 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 57.29 2q5y h ASP 731 Cb 1.07 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 2q5y h ASP 731 CO -0.15 0.24 0.48 0.44 -1.72 0.00 0.00 179.24 178.53 2q5y h ASP 732 N -0.45 0.70 -0.95 6.45 3.32 -1.37 -0.75 116.42 123.36 2q5y h ASP 732 Ca -0.01 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2q5y h ASP 732 Cb 0.38 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 2q5y h ASP 732 CO 0.02 0.40 0.62 -0.07 -1.72 0.00 0.00 179.24 178.50 2q5y h LEU 733 N 0.82 1.05 -1.40 1.55 3.38 -0.59 -0.90 115.31 119.22 2q5y h LEU 733 Ca 0.40 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 2q5y h LEU 733 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2q5y h LEU 733 CO -0.24 0.73 -0.29 0.00 0.09 0.00 0.00 178.44 178.73 2q5y h ALA 734 N 1.43 1.50 -0.06 1.53 0.00 0.04 -2.88 119.26 120.83 2q5y h ALA 734 Ca 0.37 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2q5y h ALA 734 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2q5y h ALA 734 CO -0.10 0.37 -0.67 -0.22 0.00 0.00 0.00 179.25 178.64 2q5y h LYS 735 N 0.01 0.27 -0.48 0.00 3.64 -0.40 -3.22 116.57 116.39 2q5y h LYS 735 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2q5y h LYS 735 Cb 0.52 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2q5y h LYS 735 CO 0.04 0.84 0.00 0.44 -2.27 0.00 0.00 179.45 178.50 2q5y n ILE 736 N -3.83 0.62 -2.67 2.00 -5.35 -0.94 -4.93 119.36 104.26 2q5y n ILE 736 Ca -0.03 -0.75 -0.40 0.00 -0.27 0.00 0.00 62.75 61.29 2q5y n ILE 736 Cb 0.66 0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 39.19 2q5y n ILE 736 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2q5y s THR 737 N -1.38 4.01 0.79 7.28 2.01 -1.10 -4.79 115.64 122.46 2q5y s THR 737 Ca 0.40 1.93 -0.10 0.00 0.31 0.00 0.00 61.69 64.23 2q5y s THR 737 Cb 0.22 -4.23 0.09 0.00 0.01 0.00 0.00 72.50 68.59 2q5y s THR 737 CO 0.30 0.42 1.13 0.54 -0.69 0.00 0.00 174.62 176.33 2q5y s ASN 738 N -0.83 4.43 0.56 3.53 2.20 -0.26 -4.88 114.94 119.68 2q5y s ASN 738 Ca 0.43 0.57 0.30 0.00 -0.94 0.00 0.00 52.86 53.22 2q5y s ASN 738 Cb -0.27 -1.05 1.63 0.00 -2.00 0.00 0.00 41.25 39.55 2q5y s ASN 738 CO 0.34 -1.90 1.90 -0.33 -2.94 0.00 0.00 177.10 174.16 2q5y h GLU 739 N -0.96 0.00 -0.17 3.55 5.08 -1.96 0.54 114.58 120.66 2q5y h GLU 739 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2q5y h GLU 739 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2q5y h GLU 739 CO 0.60 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 2q5y n LYS 740 N -2.70 1.73 -1.69 2.33 5.02 -1.26 -4.90 118.16 116.69 2q5y n LYS 740 Ca -0.02 -1.09 -0.09 0.00 -2.02 0.00 0.00 58.31 55.09 2q5y n LYS 740 Cb 0.23 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2q5y n LYS 740 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q5y n GLY 741 N 1.13 0.57 3.87 0.72 0.00 0.19 -5.02 105.19 106.65 2q5y n GLY 741 Ca 0.16 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2q5y n GLY 741 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q5y s GLU 742 N -3.55 3.71 -0.20 1.61 2.02 -1.24 -4.42 118.70 116.63 2q5y s GLU 742 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 54.97 55.07 2q5y s GLU 742 Cb 0.00 -3.08 0.07 0.00 0.10 0.00 0.00 34.13 31.22 2q5y s GLU 742 CO 0.00 0.63 0.08 0.00 0.02 0.00 0.00 175.26 175.99 2q5y s ILE 744 N 2.05 1.71 0.19 0.00 1.01 -1.26 -1.60 121.20 123.29 2q5y s ILE 744 Ca 0.03 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2q5y s ILE 744 Cb -0.16 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2q5y s ILE 744 CO -0.13 0.48 -0.14 0.68 0.00 0.00 0.00 174.94 175.83 2q5y s VAL 745 N 0.93 1.63 -0.20 2.92 -7.23 -0.81 -4.94 120.40 112.70 2q5y s VAL 745 Ca -0.07 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.87 2q5y s VAL 745 Cb -0.15 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2q5y s VAL 745 CO -0.02 -0.61 0.05 -0.94 -0.31 0.00 0.00 175.10 173.27 2q5y s SER 746 N -3.26 5.35 -0.25 4.85 1.04 -1.26 -0.38 113.70 119.79 2q5y s SER 746 Ca 0.21 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 2q5y s SER 746 Cb -0.00 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.20 2q5y s SER 746 CO 0.06 0.10 0.25 0.47 0.98 0.00 0.00 173.24 175.10 2q5y n ASP 747 N 4.00 -5.88 -4.75 7.02 8.00 0.47 -4.86 116.55 120.55 2q5y n ASP 747 Ca -0.16 0.55 -0.36 0.00 0.71 0.00 0.00 54.79 55.53 2q5y n ASP 747 Cb 0.52 -3.84 -0.08 0.00 -0.02 0.00 0.00 41.12 37.70 2q5y n ASP 747 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2q5y s PHE 748 N -1.70 3.32 -0.04 1.24 5.36 0.06 -4.61 117.98 121.61 2q5y s PHE 748 Ca 0.11 0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 2q5y s PHE 748 Cb -0.03 -1.86 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 2q5y s PHE 748 CO 0.50 0.54 -0.16 0.99 -1.46 0.00 0.00 175.22 175.64 2q5y s THR 749 N -0.85 1.32 -0.08 0.12 2.01 -0.04 0.02 115.64 118.14 2q5y s THR 749 Ca 0.13 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2q5y s THR 749 Cb -0.12 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.27 2q5y s THR 749 CO 0.03 0.38 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.70 2q5y s ILE 750 N 0.10 1.25 0.24 1.82 2.07 -0.74 -0.61 121.20 125.34 2q5y s ILE 750 Ca -0.04 -0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2q5y s ILE 750 Cb -0.11 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.30 2q5y s ILE 750 CO 0.02 0.39 0.30 -0.83 -1.91 0.00 0.00 174.94 172.90 2q5y s GLY 751 N 0.80 1.23 -0.13 1.50 0.00 -0.44 -0.34 107.32 109.94 2q5y s GLY 751 Ca -0.11 -1.44 -0.00 0.00 0.00 0.00 0.00 44.72 43.16 2q5y s GLY 751 CO 0.02 -1.10 -0.07 -1.60 0.00 0.00 0.00 173.10 170.34 2q5y s ARG 752 N -3.92 1.56 0.03 2.90 3.52 0.49 -1.05 118.95 122.48 2q5y s ARG 752 Ca 0.33 -0.35 -0.37 0.00 -0.13 0.00 0.00 55.73 55.21 2q5y s ARG 752 Cb 0.03 -1.74 -0.16 0.00 -1.56 0.00 0.00 34.95 31.52 2q5y s ARG 752 CO 0.13 -0.31 1.44 1.63 -0.81 0.00 0.00 175.30 177.39 2q5y n LYS 753 N 4.91 1.27 0.00 5.12 5.02 0.13 -1.16 118.16 133.45 2q5y n LYS 753 Ca -0.13 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2q5y n LYS 753 Cb 0.49 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2q5y n LYS 753 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q5y n GLY 754 N 2.93 2.95 0.32 0.72 0.00 -1.26 -4.80 105.19 106.05 2q5y n GLY 754 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2q5y n GLY 754 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q5y n TYR 755 N -2.00 0.00 -2.28 1.61 4.02 -0.31 -4.46 117.16 113.75 2q5y n TYR 755 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2q5y n TYR 755 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.74 2q5y n TYR 755 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2q5y n GLY 756 N 2.31 -1.73 3.49 2.72 0.00 -0.97 -1.10 105.19 109.92 2q5y n GLY 756 Ca -0.30 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 2q5y n GLY 756 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q5y s SER 757 N -2.47 -0.47 -0.09 1.61 1.04 0.15 -0.38 113.70 113.08 2q5y s SER 757 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2q5y s SER 757 Cb 0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2q5y s SER 757 CO 0.00 -1.03 -0.07 -0.63 0.98 0.00 0.00 173.24 172.49 2q5y s ILE 758 N -3.79 0.90 -0.21 -1.02 1.01 0.54 -0.35 121.20 118.27 2q5y s ILE 758 Ca 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2q5y s ILE 758 Cb -0.02 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2q5y s ILE 758 CO -0.09 0.33 0.06 -0.47 0.00 0.00 0.00 174.94 174.78 2q5y s TYR 759 N 1.41 3.16 -0.33 3.97 5.04 0.69 -1.79 117.35 129.50 2q5y s TYR 759 Ca -0.02 -0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.45 2q5y s TYR 759 Cb -0.13 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.10 2q5y s TYR 759 CO -0.04 -0.09 0.04 -0.06 -1.34 0.00 0.00 175.55 174.06 2q5y s PHE 760 N 0.96 3.41 0.55 4.97 0.40 0.10 -0.61 117.98 127.77 2q5y s PHE 760 Ca 0.04 -2.21 -0.14 0.00 -0.60 0.00 0.00 56.93 54.02 2q5y s PHE 760 Cb -0.14 -2.47 -0.06 0.00 0.51 0.00 0.00 43.02 40.86 2q5y s PHE 760 CO 0.03 -0.87 0.99 -2.00 0.70 0.00 0.00 175.22 174.07 2q5y s GLU 761 N 1.16 3.79 0.31 0.44 2.12 -1.26 -0.76 118.70 124.49 2q5y s GLU 761 Ca -0.00 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.16 2q5y s GLU 761 Cb -0.20 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2q5y s GLU 761 CO -0.03 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2q5y n GLY 762 N -2.08 -2.51 3.74 -1.50 0.00 -1.26 -4.70 105.19 96.88 2q5y n GLY 762 Ca 0.06 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2q5y n GLY 762 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q5y s ASP 763 N -2.62 7.31 -0.05 1.61 1.01 -1.26 -0.39 116.67 122.27 2q5y s ASP 763 Ca 0.00 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.32 2q5y s ASP 763 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2q5y s ASP 763 CO 0.00 -0.19 -0.03 -0.69 0.21 0.00 0.00 175.17 174.47 2q5y s VAL 764 N -0.25 0.49 -0.37 -1.27 1.01 0.49 -4.96 120.40 115.53 2q5y s VAL 764 Ca 0.49 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2q5y s VAL 764 Cb -0.29 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2q5y s VAL 764 CO 0.34 0.23 0.50 0.21 0.00 0.00 0.00 175.10 176.38 2q5y s ASN 765 N 1.13 6.28 0.00 3.32 3.84 -1.26 -1.93 114.94 126.33 2q5y s ASN 765 Ca -0.08 -0.17 0.23 0.00 0.21 0.00 0.00 52.86 53.06 2q5y s ASN 765 Cb -0.14 -2.26 0.28 0.00 -0.55 0.00 0.00 41.25 38.58 2q5y s ASN 765 CO -0.01 -0.51 1.29 0.18 -2.79 0.00 0.00 177.10 175.27 2q5y n LEU 766 N 5.73 3.14 -4.66 3.21 4.77 -0.63 -4.74 117.00 123.81 2q5y n LEU 766 Ca -0.05 -1.21 -0.56 0.00 -0.03 0.00 0.00 56.01 54.16 2q5y n LEU 766 Cb 0.49 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 2q5y n LEU 766 CO 0.45 0.59 1.14 0.41 -1.33 0.00 0.00 177.39 178.66 2q5y n THR 767 N 1.37 0.17 -0.72 -5.08 -1.04 -1.23 -1.28 114.28 106.47 2q5y n THR 767 Ca 0.16 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2q5y n THR 767 Cb 0.59 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 2q5y n THR 767 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2q5y n ASN 768 N 4.17 -2.25 -4.73 8.00 3.02 -0.36 -4.95 115.26 118.17 2q5y n ASN 768 Ca 0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2q5y n ASN 768 Cb 0.14 -2.68 -0.03 0.00 -0.61 0.00 0.00 39.78 36.60 2q5y n ASN 768 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q5y s LEU 769 N 0.00 4.38 -0.76 3.41 1.43 -0.40 -4.73 118.68 122.01 2q5y s LEU 769 Ca 0.00 2.56 -0.18 0.00 -1.03 0.00 0.00 54.13 55.49 2q5y s LEU 769 Cb 0.00 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.76 2q5y s LEU 769 CO 0.00 -0.73 0.86 0.21 0.23 0.00 0.00 176.35 176.92 2q5y s ASN 770 N 0.81 6.46 0.37 2.29 3.84 -1.26 -1.32 114.94 126.13 2q5y s ASN 770 Ca 0.64 -1.93 0.13 0.00 0.21 0.00 0.00 52.86 51.91 2q5y s ASN 770 Cb -0.41 -2.31 0.70 0.00 -0.55 0.00 0.00 41.25 38.68 2q5y s ASN 770 CO 0.36 -0.97 1.81 -0.07 -2.79 0.00 0.00 177.10 175.44 2q5y h LEU 771 N 9.59 0.00 -0.37 3.21 3.38 -0.81 -2.14 115.31 128.16 2q5y h LEU 771 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2q5y h LEU 771 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2q5y h LEU 771 CO 1.02 0.39 0.18 0.44 0.09 0.00 0.00 178.44 180.55 2q5y h ASP 772 N 0.00 0.25 -0.07 -0.43 3.32 -1.79 -0.50 116.42 117.20 2q5y h ASP 772 Ca -0.00 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.84 2q5y h ASP 772 Cb 0.69 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.22 2q5y h ASP 772 CO 0.05 0.19 -0.79 0.44 -1.72 0.00 0.00 179.24 177.40 2q5y h ASP 773 N 0.37 0.87 0.04 6.45 3.45 -1.86 -3.39 116.42 122.36 2q5y h ASP 773 Ca 0.16 -0.58 -0.00 0.00 0.43 0.00 0.00 57.03 57.03 2q5y h ASP 773 Cb 0.07 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 2q5y h ASP 773 CO -0.11 1.38 -0.02 0.40 -1.57 0.00 0.00 179.24 179.31 2q5y h ILE 774 N 0.49 1.34 -3.48 0.35 2.04 -1.19 -3.40 117.51 113.66 2q5y h ILE 774 Ca -0.06 -1.54 -0.61 0.00 1.00 0.00 0.00 64.86 63.65 2q5y h ILE 774 Cb 1.42 2.31 -0.14 0.00 -0.74 0.00 0.00 36.82 39.67 2q5y h ILE 774 CO 0.16 0.37 -0.51 -0.69 0.00 0.00 0.00 178.15 177.48 2q5y s VAL 775 N -3.26 5.30 -0.17 1.67 1.01 -0.21 -0.12 120.40 124.62 2q5y s VAL 775 Ca -0.16 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2q5y s VAL 775 Cb -0.00 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.97 2q5y s VAL 775 CO 0.60 0.38 -0.03 -1.00 0.00 0.00 0.00 175.10 175.05 2q5y s HIS 776 N 0.83 1.56 -0.23 5.22 3.76 -0.16 -4.79 115.29 121.48 2q5y s HIS 776 Ca 0.07 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 2q5y s HIS 776 Cb -0.13 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.35 2q5y s HIS 776 CO 0.02 -0.61 -0.11 0.42 -0.85 0.00 0.00 174.74 173.62 2q5y s ILE 777 N 1.68 2.50 0.43 0.60 1.01 -1.26 -0.43 121.20 125.72 2q5y s ILE 777 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.53 2q5y s ILE 777 Cb -0.16 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2q5y s ILE 777 CO -0.07 0.22 0.11 -0.13 0.00 0.00 0.00 174.94 175.07 2q5y s ARG 778 N 1.26 1.99 -0.07 2.79 0.52 0.95 -4.88 118.95 121.50 2q5y s ARG 778 Ca -0.01 -2.23 -0.29 0.00 -0.52 0.00 0.00 55.73 52.68 2q5y s ARG 778 Cb -0.17 -0.78 -0.07 0.00 0.52 0.00 0.00 34.95 34.45 2q5y s ARG 778 CO -0.07 -0.46 1.94 0.50 0.02 0.00 0.00 175.30 177.23 2q5y s ARG 779 N -3.73 3.85 -1.63 3.54 6.06 -1.26 -1.99 118.95 123.78 2q5y s ARG 779 Ca 0.20 2.28 0.00 0.00 -2.50 0.00 0.00 55.73 55.71 2q5y s ARG 779 Cb 0.02 -4.17 0.00 0.00 0.06 0.00 0.00 34.95 30.86 2q5y s ARG 779 CO 0.12 -1.27 0.00 1.17 -2.50 0.00 0.00 175.30 172.82 2q5y n LYS 780 N 7.80 -1.34 -3.63 5.12 4.81 -1.26 -4.96 118.16 124.69 2q5y n LYS 780 Ca 0.22 0.95 -0.12 0.00 -0.87 0.00 0.00 58.31 58.48 2q5y n LYS 780 Cb 0.43 -5.35 -0.07 0.00 0.02 0.00 0.00 35.03 30.06 2q5y n LYS 780 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2q5y s GLU 781 N -4.40 0.76 -0.02 1.64 2.12 -0.84 -5.14 118.70 112.82 2q5y s GLU 781 Ca 0.00 0.95 0.02 0.00 0.36 0.00 0.00 54.97 56.30 2q5y s GLU 781 Cb 0.00 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.74 2q5y s GLU 781 CO 0.00 -0.10 -0.07 0.08 -0.54 0.00 0.00 175.26 174.63 2q5y s VAL 782 N 0.52 0.63 -0.08 3.70 1.01 -1.26 -0.04 120.40 124.90 2q5y s VAL 782 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2q5y s VAL 782 Cb -0.05 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2q5y s VAL 782 CO -0.03 0.20 -0.01 -0.69 0.00 0.00 0.00 175.10 174.57 2q5y s VAL 783 N 0.20 0.49 -0.33 2.92 1.01 0.43 -5.02 120.40 120.10 2q5y s VAL 783 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2q5y s VAL 783 Cb -0.08 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.75 2q5y s VAL 783 CO 0.00 0.27 0.06 -0.69 0.00 0.00 0.00 175.10 174.75 2q5y s VAL 784 N 1.84 3.14 0.00 2.92 1.01 -1.26 -0.98 120.40 127.07 2q5y s VAL 784 Ca 0.04 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2q5y s VAL 784 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2q5y s VAL 784 CO -0.05 -0.27 0.00 -1.22 0.00 0.00 0.00 175.10 173.56 2q5y n TYR 785 N 4.63 0.00 0.49 5.22 4.02 0.83 -4.88 117.16 127.47 2q5y n TYR 785 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.83 2q5y n TYR 785 Cb 0.43 -1.16 0.24 0.00 -0.02 0.00 0.00 39.34 38.83 2q5y n TYR 785 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2q5y n LEU 786 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.11 117.00 123.12 2q5y n LEU 786 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2q5y n LEU 786 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2q5y n LEU 786 CO 0.00 -0.11 0.00 1.17 -1.33 0.00 0.00 177.39 177.12 2q5y n LYS 791 N -1.16 0.00 -1.11 3.23 4.81 -1.26 -5.22 118.16 117.45 2q5y n LYS 791 Ca 0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.20 2q5y n LYS 791 Cb 0.05 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.31 2q5y n LYS 791 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2q5y s PRO 792 N 0.00 -0.42 0.34 1.64 0.04 -1.26 -5.02 135.00 130.32 2q5y s PRO 792 Ca 0.00 0.24 -0.19 0.00 0.04 0.00 0.00 61.00 61.09 2q5y s PRO 792 Cb 0.00 -1.66 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 2q5y s PRO 792 CO 0.00 -3.24 0.82 -1.25 0.04 0.00 0.00 177.00 173.37 2q5y s PRO 793 N -5.16 4.19 -0.18 0.56 0.04 -1.26 -4.91 135.00 128.29 2q5y s PRO 793 Ca 0.68 0.93 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 2q5y s PRO 793 Cb -0.15 -2.48 -0.16 0.00 0.04 0.00 0.00 34.50 31.75 2q5y s PRO 793 CO 0.57 0.16 1.04 0.28 0.04 0.00 0.00 177.00 179.09 2q5y n VAL 794 N -0.13 0.00 0.00 -0.36 0.31 -1.26 -1.12 118.33 115.77 2q5y n VAL 794 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2q5y n VAL 794 Cb 0.53 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 2q5y n VAL 794 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q5y n GLY 795 N 2.07 3.03 3.77 2.92 0.00 -0.57 -5.01 105.19 111.40 2q5y n GLY 795 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2q5y n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q5y s GLU 796 N -0.67 2.97 7.03 1.61 2.02 -0.27 -4.90 118.70 126.48 2q5y s GLU 796 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2q5y s GLU 796 Cb 0.00 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2q5y s GLU 796 CO 0.00 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2q5y n GLY 797 N 0.85 3.35 0.97 -1.39 0.00 -1.26 -1.95 105.19 105.76 2q5y n GLY 797 Ca -0.11 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.83 2q5y n GLY 797 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q5y n LEU 798 N 0.00 3.01 -3.51 0.99 4.77 -1.26 -4.61 117.00 116.38 2q5y n LEU 798 Ca 0.00 -1.04 -0.40 0.00 -0.03 0.00 0.00 56.01 54.53 2q5y n LEU 798 Cb 0.00 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2q5y n LEU 798 CO 0.00 0.52 2.91 -3.20 -1.33 0.00 0.00 177.39 176.29 2q5y n ASN 799 N 1.33 6.88 -1.80 -1.43 5.15 -0.82 -4.80 115.26 119.76 2q5y n ASN 799 Ca 0.15 -2.79 -0.07 0.00 -0.60 0.00 0.00 54.58 51.27 2q5y n ASN 799 Cb 0.59 -1.55 -0.02 0.00 -0.53 0.00 0.00 39.78 38.27 2q5y n ASN 799 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2q5y n ARG 800 N 4.06 0.18 -2.10 1.20 1.85 -1.26 -1.51 116.66 119.08 2q5y n ARG 800 Ca 0.65 -1.18 -0.39 0.00 -1.00 0.00 0.00 57.85 55.93 2q5y n ARG 800 Cb 0.29 1.01 -0.00 0.00 -1.05 0.00 0.00 32.46 32.71 2q5y n ARG 800 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2q5y s LYS 801 N -2.45 3.83 0.18 2.89 -2.85 0.10 -3.72 119.74 117.71 2q5y s LYS 801 Ca 0.14 2.03 -0.24 0.00 -1.00 0.00 0.00 55.97 56.90 2q5y s LYS 801 Cb 0.00 -2.60 0.05 0.00 -2.06 0.00 0.00 37.83 33.23 2q5y s LYS 801 CO 0.10 -0.57 0.81 0.00 0.10 0.00 0.00 175.35 175.79 2q5y s ALA 802 N -1.35 -1.52 -0.27 0.59 0.00 -0.45 -4.66 121.76 114.10 2q5y s ALA 802 Ca 0.60 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2q5y s ALA 802 Cb -0.35 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2q5y s ALA 802 CO 0.44 -0.95 0.03 -2.00 0.00 0.00 0.00 175.76 173.28 2q5y s GLU 803 N -3.55 3.21 -0.12 0.00 2.12 0.22 -0.69 118.70 119.89 2q5y s GLU 803 Ca 0.09 -0.76 -0.12 0.00 0.36 0.00 0.00 54.97 54.54 2q5y s GLU 803 Cb -0.03 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 2q5y s GLU 803 CO 0.00 -0.34 0.27 0.08 -0.54 0.00 0.00 175.26 174.72 2q5y s VAL 804 N 1.49 5.30 -0.17 3.70 1.01 -0.17 -0.22 120.40 131.34 2q5y s VAL 804 Ca 0.04 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2q5y s VAL 804 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2q5y s VAL 804 CO 0.01 0.49 -0.14 -0.89 0.00 0.00 0.00 175.10 174.57 2q5y s THR 805 N -0.26 1.67 -0.29 3.92 2.01 0.52 -1.82 115.64 121.38 2q5y s THR 805 Ca 0.17 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.31 2q5y s THR 805 Cb -0.13 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.78 2q5y s THR 805 CO 0.06 0.38 0.07 -0.76 -0.69 0.00 0.00 174.62 173.68 2q5y s LEU 806 N 1.43 3.83 0.43 4.42 1.43 0.25 -0.67 118.68 129.79 2q5y s LEU 806 Ca 0.03 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2q5y s LEU 806 Cb -0.14 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2q5y s LEU 806 CO -0.10 -0.19 0.62 -1.81 0.23 0.00 0.00 176.35 175.10 2q5y s ASP 807 N 1.49 5.82 -1.74 2.29 -0.00 -0.26 -0.17 116.67 124.10 2q5y s ASP 807 Ca 0.02 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.69 2q5y s ASP 807 Cb -0.17 -1.38 0.00 0.00 -0.00 0.00 0.00 42.92 41.37 2q5y s ASP 807 CO 0.02 -0.67 0.00 0.61 -0.00 0.00 0.00 175.17 175.13 2q5y n GLY 808 N -1.98 0.81 3.51 0.21 0.00 -0.31 -4.60 105.19 102.84 2q5y n GLY 808 Ca 0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2q5y n GLY 808 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q5y s VAL 809 N -2.77 5.23 0.03 1.61 1.01 0.37 -4.95 120.40 120.93 2q5y s VAL 809 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2q5y s VAL 809 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2q5y s VAL 809 CO 0.00 -0.14 0.04 0.26 0.00 0.00 0.00 175.10 175.26 2q5y s TRP 810 N 1.84 0.25 0.67 5.22 0.51 -1.26 -4.47 118.94 121.70 2q5y s TRP 810 Ca 0.08 -0.56 -0.11 0.00 -2.12 0.00 0.00 56.10 53.39 2q5y s TRP 810 Cb -0.17 -0.19 -0.01 0.00 -0.81 0.00 0.00 33.47 32.29 2q5y s TRP 810 CO 0.11 -0.30 1.06 -1.25 -0.51 0.00 0.00 176.95 176.06 2q5y s PRO 811 N -2.28 3.13 -0.18 4.98 0.04 -1.26 -4.84 135.00 134.58 2q5y s PRO 811 Ca -0.08 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 61.70 2q5y s PRO 811 Cb -0.03 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2q5y s PRO 811 CO -0.03 -0.91 -0.06 0.99 0.04 0.00 0.00 177.00 177.02 2q5y s THR 812 N -3.16 3.39 -0.26 1.26 2.01 -1.26 -1.22 115.64 116.40 2q5y s THR 812 Ca 0.57 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2q5y s THR 812 Cb -0.12 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2q5y s THR 812 CO 0.54 0.46 1.91 -0.62 -0.69 0.00 0.00 174.62 176.23 2q5y s ASP 813 N 0.97 5.85 0.38 3.53 3.68 -0.19 -4.86 116.67 126.03 2q5y s ASP 813 Ca -0.00 1.60 0.19 0.00 2.13 0.00 0.00 52.55 56.47 2q5y s ASP 813 Cb -0.15 -2.52 1.14 0.00 -1.45 0.00 0.00 42.92 39.94 2q5y s ASP 813 CO 0.00 -1.69 1.71 0.11 0.13 0.00 0.00 175.17 175.43 2q5y h LYS 814 N 13.13 0.33 0.00 4.34 1.57 -1.96 0.46 116.57 134.44 2q5y h LYS 814 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2q5y h LYS 814 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2q5y h LYS 814 CO 1.00 0.22 0.00 2.41 -0.57 0.00 0.00 179.45 182.51 2q5y n THR 815 N -4.78 0.00 0.31 -0.16 -1.04 -1.26 -4.14 114.28 103.21 2q5y n THR 815 Ca 0.30 0.45 0.15 0.00 -2.04 0.00 0.00 64.05 62.91 2q5y n THR 815 Cb 1.00 -0.94 0.69 0.00 -1.82 0.00 0.00 70.33 69.27 2q5y n THR 815 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2q5y h SER 816 N 0.00 0.00 -4.70 8.00 4.64 -1.99 -3.46 113.55 116.04 2q5y h SER 816 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2q5y h SER 816 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.18 2q5y h SER 816 CO 0.00 0.00 -0.58 0.54 -0.87 0.00 0.00 176.83 175.92 2q5y n ARG 817 N -2.65 -5.79 -4.15 4.77 1.74 0.16 -5.01 116.66 105.72 2q5y n ARG 817 Ca 0.00 0.79 -0.24 0.00 -0.77 0.00 0.00 57.85 57.63 2q5y n ARG 817 Cb 0.19 -5.53 -0.06 0.00 -1.02 0.00 0.00 32.46 26.04 2q5y n ARG 817 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q5y s LEU 819 N -3.50 4.54 -0.38 0.00 1.43 -1.26 -1.02 118.68 118.48 2q5y s LEU 819 Ca 0.31 2.15 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 2q5y s LEU 819 Cb -0.08 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2q5y s LEU 819 CO 0.23 -0.09 0.43 -0.63 0.23 0.00 0.00 176.35 176.51 2q5y s ILE 820 N -1.23 5.10 -0.09 -0.59 1.01 -0.36 -4.88 121.20 120.17 2q5y s ILE 820 Ca 0.45 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2q5y s ILE 820 Cb -0.29 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2q5y s ILE 820 CO 0.37 -0.25 0.11 0.29 0.00 0.00 0.00 174.94 175.45 2q5y n LYS 821 N 5.56 3.67 -1.72 2.79 5.02 -1.26 -4.28 118.16 127.93 2q5y n LYS 821 Ca -0.07 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2q5y n LYS 821 Cb 0.48 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 2q5y n LYS 821 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2q5y s SER 822 N -1.71 6.38 0.33 4.39 0.15 -1.26 -4.83 113.70 117.16 2q5y s SER 822 Ca 0.00 2.52 0.10 0.00 0.70 0.00 0.00 55.95 59.27 2q5y s SER 822 Cb 0.02 -2.53 0.88 0.00 -1.71 0.00 0.00 66.02 62.69 2q5y s SER 822 CO 0.13 -1.13 1.76 -0.65 1.20 0.00 0.00 173.24 174.55 2q5y h PRO 823 N 10.88 0.59 -0.51 5.44 0.11 -1.95 -0.60 132.00 145.97 2q5y h PRO 823 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2q5y h PRO 823 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2q5y h PRO 823 CO 0.95 0.39 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.65 2q5y h ASP 824 N 0.61 0.86 -0.29 -2.05 3.45 -1.99 -0.74 116.42 116.26 2q5y h ASP 824 Ca 0.60 -0.24 -0.06 0.00 0.43 0.00 0.00 57.03 57.77 2q5y h ASP 824 Cb 1.15 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.68 2q5y h ASP 824 CO -0.38 0.94 -0.04 0.03 -1.57 0.00 0.00 179.24 178.22 2q5y h ARG 825 N 0.81 0.54 0.00 3.56 2.47 -1.53 -1.38 114.38 118.85 2q5y h ARG 825 Ca 0.15 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 2q5y h ARG 825 Cb 0.53 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2q5y h ARG 825 CO 0.03 0.72 -0.13 -0.07 0.56 0.00 0.00 179.97 181.08 2q5y h LEU 826 N 0.31 0.00 -0.04 3.04 3.38 -1.08 -1.84 115.31 119.08 2q5y h LEU 826 Ca 0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 2q5y h LEU 826 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2q5y h LEU 826 CO 0.02 0.13 -0.78 0.00 0.09 0.00 0.00 178.44 177.90 2q5y h ALA 827 N 1.87 0.15 -0.36 1.53 0.00 -0.86 0.07 119.26 121.67 2q5y h ALA 827 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.34 2q5y h ALA 827 Cb 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2q5y h ALA 827 CO 0.02 0.54 0.12 -0.44 0.00 0.00 0.00 179.25 179.48 2q5y h ASP 828 N 0.23 0.13 0.08 0.00 3.45 -0.47 -1.11 116.42 118.72 2q5y h ASP 828 Ca -0.09 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2q5y h ASP 828 Cb 1.45 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.25 2q5y h ASP 828 CO 0.16 0.11 -0.03 2.30 -1.57 0.00 0.00 179.24 180.20 2q5y n ILE 829 N -5.02 0.00 -3.79 0.35 -5.35 -0.83 -4.94 119.36 99.79 2q5y n ILE 829 Ca 0.01 -0.13 -0.25 0.00 -0.27 0.00 0.00 62.75 62.12 2q5y n ILE 829 Cb 0.13 0.05 0.01 0.00 -1.74 0.00 0.00 39.64 38.10 2q5y n ILE 829 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2q5y n ASN 830 N -0.47 -1.79 -0.36 7.28 5.15 -0.39 -4.87 115.26 119.80 2q5y n ASN 830 Ca 0.19 -0.93 0.03 0.00 -0.60 0.00 0.00 54.58 53.27 2q5y n ASN 830 Cb 0.26 -3.54 0.18 0.00 -0.53 0.00 0.00 39.78 36.15 2q5y n ASN 830 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2q5y h TYR 831 N -1.84 1.19 0.00 1.20 3.20 -1.32 -0.78 116.97 118.62 2q5y h TYR 831 Ca -0.63 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.24 2q5y h TYR 831 Cb 1.36 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2q5y h TYR 831 CO 0.44 0.62 -0.16 1.05 -1.64 0.00 0.00 178.16 178.47 2q5y h GLU 832 N 1.17 0.00 -0.39 1.82 4.11 -1.90 -2.08 114.58 117.31 2q5y h GLU 832 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.76 2q5y h GLU 832 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2q5y h GLU 832 CO -0.17 0.16 -0.14 0.78 0.07 0.00 0.00 179.01 179.72 2q5y h GLY 833 N 1.11 0.85 0.99 1.06 0.00 -1.50 -0.55 103.07 105.03 2q5y h GLY 833 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2q5y h GLY 833 CO 0.02 0.67 0.18 3.21 0.00 0.00 0.00 176.54 180.61 2q5y h ARG 834 N 0.59 0.37 -0.57 4.80 3.08 -1.20 -0.83 114.38 120.63 2q5y h ARG 834 Ca 0.09 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2q5y h ARG 834 Cb 0.67 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 2q5y h ARG 834 CO 0.05 0.27 0.34 -0.07 -1.07 0.00 0.00 179.97 179.49 2q5y h LEU 835 N 0.36 0.55 -0.81 3.04 3.38 -1.30 -0.90 115.31 119.64 2q5y h LEU 835 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2q5y h LEU 835 Cb -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2q5y h LEU 835 CO -0.02 0.39 0.36 -0.08 0.09 0.00 0.00 178.44 179.18 2q5y h GLU 836 N 0.68 1.19 -0.78 1.13 4.81 -0.78 -0.38 114.58 120.45 2q5y h GLU 836 Ca 0.23 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2q5y h GLU 836 Cb 0.03 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 2q5y h GLU 836 CO -0.10 0.94 0.43 0.00 -0.73 0.00 0.00 179.01 179.55 2q5y h ALA 837 N 1.19 1.00 -0.51 2.92 0.00 -0.60 -0.16 119.26 123.09 2q5y h ALA 837 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2q5y h ALA 837 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2q5y h ALA 837 CO -0.03 0.50 0.20 0.28 0.00 0.00 0.00 179.25 180.20 2q5y h VAL 838 N 1.08 1.22 -0.65 0.00 2.07 -0.53 -1.26 116.25 118.17 2q5y h VAL 838 Ca 0.27 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2q5y h VAL 838 Cb 0.02 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2q5y h VAL 838 CO -0.05 0.26 0.38 0.28 0.02 0.00 0.00 177.57 178.46 2q5y h SER 839 N 0.69 0.78 -0.37 0.57 0.02 -0.50 -2.27 113.55 112.47 2q5y h SER 839 Ca 0.17 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2q5y h SER 839 Cb 0.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2q5y h SER 839 CO -0.01 0.61 0.04 -0.09 -1.14 0.00 0.00 176.83 176.24 2q5y h ARG 840 N 0.90 0.62 -0.81 3.45 2.43 -0.47 0.83 114.38 121.32 2q5y h ARG 840 Ca 0.23 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2q5y h ARG 840 Cb -0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2q5y h ARG 840 CO -0.04 0.69 0.46 0.87 -1.51 0.00 0.00 179.97 180.44 2q5y h LYS 841 N 0.45 1.11 0.00 0.20 1.79 -0.90 -1.89 116.57 117.33 2q5y h LYS 841 Ca 0.11 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2q5y h LYS 841 Cb 0.39 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2q5y h LYS 841 CO 0.01 0.80 0.00 1.04 -1.08 0.00 0.00 179.45 180.22 2q5y n GLN 842 N -4.36 0.92 -1.58 3.15 6.02 -0.88 -4.87 117.38 115.78 2q5y n GLN 842 Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.99 2q5y n GLN 842 Cb 0.09 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 2q5y n GLN 842 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2q5y n GLY 843 N 0.73 0.66 3.78 1.08 0.00 -0.71 -5.02 105.19 105.70 2q5y n GLY 843 Ca 0.16 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2q5y n GLY 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5y s ALA 844 N -2.35 3.51 -0.45 4.61 0.00 0.26 -4.78 121.76 122.56 2q5y s ALA 844 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 2q5y s ALA 844 Cb 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 22.03 2q5y s ALA 844 CO 0.00 0.22 0.36 -1.14 0.00 0.00 0.00 175.76 175.20 2q5y s GLN 845 N -3.82 2.97 0.33 0.00 2.00 0.19 -3.95 119.66 117.38 2q5y s GLN 845 Ca 0.34 -1.24 -0.29 0.00 -2.00 0.00 0.00 55.36 52.16 2q5y s GLN 845 Cb -0.07 -4.08 -0.11 0.00 0.80 0.00 0.00 33.01 29.55 2q5y s GLN 845 CO 0.24 -0.93 1.56 0.12 -0.50 0.00 0.00 175.29 175.78 2q5y s PHE 846 N 1.65 2.66 -0.10 1.67 5.36 -1.26 0.08 117.98 128.04 2q5y s PHE 846 Ca 0.04 0.91 -0.07 0.00 -0.96 0.00 0.00 56.93 56.86 2q5y s PHE 846 Cb -0.22 -4.07 -0.05 0.00 -0.34 0.00 0.00 43.02 38.33 2q5y s PHE 846 CO 0.08 -3.44 -0.16 1.63 -1.46 0.00 0.00 175.22 171.87 2q5y n LYS 847 N 1.47 0.25 -3.66 10.12 4.76 0.31 -4.86 118.16 126.56 2q5y n LYS 847 Ca 0.05 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2q5y n LYS 847 Cb 0.38 -0.93 -0.01 0.00 -1.84 0.00 0.00 35.03 32.64 2q5y n LYS 847 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2q5y s GLU 848 N -2.27 0.58 -0.07 1.97 -1.05 -0.96 -5.01 118.70 111.90 2q5y s GLU 848 Ca -0.16 -0.32 -0.01 0.00 -0.15 0.00 0.00 54.97 54.33 2q5y s GLU 848 Cb 0.05 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 2q5y s GLU 848 CO 0.21 -0.27 -0.02 -0.47 0.95 0.00 0.00 175.26 175.66 2q5y s TYR 849 N -2.60 0.78 -0.37 4.83 5.04 -1.26 -0.90 117.35 122.87 2q5y s TYR 849 Ca 0.14 -0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 54.46 2q5y s TYR 849 Cb 0.03 -0.81 0.05 0.00 0.35 0.00 0.00 41.96 41.59 2q5y s TYR 849 CO -0.02 -0.31 0.16 1.03 -1.34 0.00 0.00 175.55 175.07 2q5y s ARG 850 N 1.62 2.59 0.27 4.97 0.52 0.11 -4.96 118.95 124.06 2q5y s ARG 850 Ca 0.00 -1.30 -0.01 0.00 -0.52 0.00 0.00 55.73 53.91 2q5y s ARG 850 Cb -0.13 -3.58 0.51 0.00 0.52 0.00 0.00 34.95 32.28 2q5y s ARG 850 CO -0.04 -0.78 1.81 -1.35 0.02 0.00 0.00 175.30 174.96 2q5y h PRO 851 N 8.28 0.80 -0.94 3.54 0.11 -1.95 -0.91 132.00 140.93 2q5y h PRO 851 Ca -0.23 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 66.01 2q5y h PRO 851 Cb 1.08 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.91 2q5y h PRO 851 CO 0.66 0.53 0.53 0.93 -0.21 0.00 0.00 178.00 180.44 2q5y h GLU 852 N 0.83 0.69 0.00 1.05 3.07 -1.94 -2.92 114.58 115.35 2q5y h GLU 852 Ca 0.46 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2q5y h GLU 852 Cb 0.52 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2q5y h GLU 852 CO -0.29 0.45 -0.00 0.25 -1.40 0.00 0.00 179.01 178.02 2q5y n THR 853 N -4.81 1.02 -3.69 1.13 -2.24 -1.15 -4.99 114.28 99.54 2q5y n THR 853 Ca 0.21 -1.05 -0.26 0.00 -2.27 0.00 0.00 64.05 60.68 2q5y n THR 853 Cb 0.51 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 69.27 2q5y n THR 853 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q5y n GLY 854 N -0.54 -0.53 3.61 3.38 0.00 -0.48 -1.16 105.19 109.46 2q5y n GLY 854 Ca 0.01 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 2q5y n GLY 854 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q5y s SER 855 N -3.32 6.27 -0.24 1.61 0.01 -0.47 -0.47 113.70 117.09 2q5y s SER 855 Ca 0.61 0.31 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 2q5y s SER 855 Cb -0.28 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 2q5y s SER 855 CO 0.76 -0.18 0.04 0.86 0.41 0.00 0.00 173.24 175.13 2q5y s TRP 856 N 2.04 3.06 -0.11 2.43 -0.00 0.76 0.08 118.94 127.20 2q5y s TRP 856 Ca 0.15 -0.52 0.03 0.00 -0.00 0.00 0.00 56.10 55.76 2q5y s TRP 856 Cb -0.16 -2.20 -0.00 0.00 -0.00 0.00 0.00 33.47 31.11 2q5y s TRP 856 CO 0.10 -0.39 -0.22 0.08 -0.00 0.00 0.00 176.95 176.53 2q5y s VAL 857 N 1.54 2.25 0.02 5.86 1.01 -0.08 -0.58 120.40 130.42 2q5y s VAL 857 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 2q5y s VAL 857 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2q5y s VAL 857 CO 0.02 0.55 0.20 0.72 0.00 0.00 0.00 175.10 176.59 2q5y s PHE 858 N 0.43 0.01 -0.07 5.22 -0.12 -0.76 -0.53 117.98 122.15 2q5y s PHE 858 Ca -0.16 -0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2q5y s PHE 858 Cb -0.17 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2q5y s PHE 858 CO 0.07 -0.38 0.15 0.21 -0.05 0.00 0.00 175.22 175.21 2q5y s LYS 859 N -2.00 3.40 0.15 1.99 2.20 0.11 -1.00 119.74 124.59 2q5y s LYS 859 Ca -0.09 -0.23 0.06 0.00 -0.36 0.00 0.00 55.97 55.35 2q5y s LYS 859 Cb -0.04 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2q5y s LYS 859 CO -0.01 0.73 -0.14 0.14 -0.36 0.00 0.00 175.35 175.72 2q5y s VAL 860 N -1.13 1.44 -0.04 4.02 -7.23 0.13 -0.64 120.40 116.95 2q5y s VAL 860 Ca 0.20 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2q5y s VAL 860 Cb -0.12 -1.75 -0.24 0.00 0.56 0.00 0.00 36.38 34.83 2q5y s VAL 860 CO 0.09 -0.52 0.69 0.28 -0.31 0.00 0.00 175.10 175.33 2q5y h SER 861 N 3.11 0.11 -5.34 4.85 0.02 -1.86 -1.19 113.55 113.25 2q5y h SER 861 Ca -0.39 -0.21 0.13 0.00 -0.84 0.00 0.00 61.79 60.48 2q5y h SER 861 Cb 1.20 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2q5y h SER 861 CO 0.56 1.18 0.53 -1.38 -1.14 0.00 0.00 176.83 176.59 2q5y s HIS 862 N -2.60 0.07 -0.53 3.45 -3.43 -1.24 -0.72 115.29 110.29 2q5y s HIS 862 Ca -0.07 -0.52 0.04 0.00 -0.80 0.00 0.00 55.06 53.71 2q5y s HIS 862 Cb 0.08 0.72 0.03 0.00 -1.43 0.00 0.00 32.58 31.99 2q5y s HIS 862 CO 0.82 -1.03 0.63 1.19 -2.00 0.00 0.00 174.74 174.35