#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 3.04 0.35 2.03 5.04 -1.26 -5.02 115.29 119.46 2q5y s HIS 713 Ca 0.00 -0.15 0.16 0.00 -1.54 0.00 0.00 55.06 53.53 2q5y s HIS 713 Cb 0.00 -1.88 1.16 0.00 0.04 0.00 0.00 32.58 31.89 2q5y s HIS 713 CO 0.00 0.12 1.62 -1.35 -2.34 0.00 0.00 174.74 172.79 2q5y h PRO 714 N 6.16 0.14 -0.31 2.88 0.11 -1.93 0.53 132.00 139.58 2q5y h PRO 714 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2q5y h PRO 714 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2q5y h PRO 714 CO 0.60 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 2q5y n ALA 715 N -2.37 2.47 -1.76 -0.75 0.00 -1.26 -4.47 120.51 112.37 2q5y n ALA 715 Ca 0.33 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 2q5y n ALA 715 Cb 1.08 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 1.24 0.63 3.74 0.00 0.00 0.18 -0.38 105.19 110.61 2q5y n GLY 716 Ca 0.16 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.51 4.78 -0.18 -0.61 1.01 -1.26 -3.84 121.20 118.59 2q5y s ILE 717 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.26 2q5y s ILE 717 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2q5y s ILE 717 CO 0.00 0.35 -0.19 -0.63 0.00 0.00 0.00 174.94 174.47 2q5y s ILE 718 N 0.05 2.18 -0.21 2.92 1.01 -0.97 -4.52 121.20 121.65 2q5y s ILE 718 Ca 0.38 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2q5y s ILE 718 Cb -0.20 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.47 2q5y s ILE 718 CO 0.22 0.53 0.32 -0.22 0.00 0.00 0.00 174.94 175.79 2q5y s LEU 719 N 1.22 -0.44 0.00 2.97 2.96 -1.26 -1.53 118.68 122.60 2q5y s LEU 719 Ca 0.03 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2q5y s LEU 719 Cb -0.14 0.87 0.00 0.00 0.50 0.00 0.00 46.19 47.42 2q5y s LEU 719 CO -0.10 -0.29 0.00 0.35 -1.32 0.00 0.00 176.35 174.98 2q5y n THR 720 N 5.35 0.00 -1.68 3.68 -2.24 -1.26 -5.04 114.28 113.10 2q5y n THR 720 Ca -0.05 -0.15 -0.46 0.00 -2.27 0.00 0.00 64.05 61.13 2q5y n THR 720 Cb 0.50 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.45 2.29 -1.82 -0.78 5.02 -1.26 -4.90 118.16 116.26 2q5y n LYS 721 Ca 0.00 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 2q5y n LYS 721 Cb 0.00 -2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 32.35 2q5y n LYS 721 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q5y s VAL 722 N 1.67 2.25 0.00 -0.18 1.01 -1.26 -2.29 120.40 121.59 2q5y s VAL 722 Ca 0.81 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2q5y s VAL 722 Cb -0.64 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2q5y s VAL 722 CO 0.40 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2q5y n GLY 723 N 3.31 3.37 3.87 4.51 0.00 -1.26 -4.99 105.19 114.00 2q5y n GLY 723 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.81 3.49 0.21 1.61 1.51 -0.97 -1.06 117.35 119.33 2q5y s TYR 724 Ca 0.00 1.17 -0.22 0.00 -1.01 0.00 0.00 57.07 57.01 2q5y s TYR 724 Cb 0.00 -2.56 0.05 0.00 -0.11 0.00 0.00 41.96 39.34 2q5y s TYR 724 CO 0.00 -0.25 0.71 1.52 -1.11 0.00 0.00 175.55 176.42 2q5y s TYR 725 N -2.56 -0.31 0.11 2.71 -0.85 -0.15 -4.96 117.35 111.34 2q5y s TYR 725 Ca 0.53 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 57.10 2q5y s TYR 725 Cb -0.10 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 2q5y s TYR 725 CO 0.35 -1.03 -0.11 0.95 -1.52 0.00 0.00 175.55 174.18 2q5y s THR 726 N -3.76 1.10 -0.17 -3.49 -4.23 -1.26 -1.33 115.64 102.49 2q5y s THR 726 Ca 0.07 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2q5y s THR 726 Cb -0.04 -1.46 0.05 0.00 1.34 0.00 0.00 72.50 72.39 2q5y s THR 726 CO -0.01 -0.52 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.90 2q5y s ILE 727 N -2.40 0.84 0.96 2.99 1.01 0.11 -2.19 121.20 122.52 2q5y s ILE 727 Ca 0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2q5y s ILE 727 Cb -0.03 -1.15 0.17 0.00 0.01 0.00 0.00 42.46 41.46 2q5y s ILE 727 CO 0.01 -0.01 1.10 -2.84 0.00 0.00 0.00 174.94 173.20 2q5y s PRO 728 N 1.74 0.72 1.01 2.79 0.02 -1.26 -0.92 135.00 139.09 2q5y s PRO 728 Ca -0.00 1.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.07 2q5y s PRO 728 Cb -0.16 -1.72 0.20 0.00 0.02 0.00 0.00 34.50 32.84 2q5y s PRO 728 CO -0.07 -2.71 1.08 -1.54 -0.33 0.00 0.00 177.00 173.42 2q5y s SER 729 N -2.88 2.25 0.49 2.53 1.04 -0.93 -4.70 113.70 111.51 2q5y s SER 729 Ca 0.66 1.71 0.14 0.00 0.48 0.00 0.00 55.95 58.93 2q5y s SER 729 Cb -0.22 -2.34 1.17 0.00 0.10 0.00 0.00 66.02 64.73 2q5y s SER 729 CO 0.59 -3.44 2.13 0.24 0.98 0.00 0.00 173.24 173.74 2q5y h MET 730 N -2.10 0.13 -0.14 4.02 2.86 -1.99 -0.81 114.93 116.91 2q5y h MET 730 Ca -0.53 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 2q5y h MET 730 Cb 1.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 2q5y h MET 730 CO 0.49 0.09 0.03 -0.44 1.06 0.00 0.00 176.91 178.14 2q5y h ASP 731 N 0.14 0.22 -0.07 1.22 3.32 -1.97 -2.89 116.42 116.39 2q5y h ASP 731 Ca 0.04 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.70 2q5y h ASP 731 Cb -0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2q5y h ASP 731 CO -0.01 0.40 -0.45 0.44 -1.72 0.00 0.00 179.24 177.91 2q5y h ASP 732 N 0.02 0.67 -0.41 6.45 3.32 -1.74 -2.96 116.42 121.76 2q5y h ASP 732 Ca 0.04 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.82 2q5y h ASP 732 Cb 0.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2q5y h ASP 732 CO 0.00 1.02 0.28 -0.07 -1.72 0.00 0.00 179.24 178.75 2q5y h LEU 733 N 0.50 0.34 0.17 1.55 3.38 -1.13 -2.37 115.31 117.75 2q5y h LEU 733 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2q5y h LEU 733 Cb 0.98 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2q5y h LEU 733 CO 0.09 0.23 -0.08 0.00 0.09 0.00 0.00 178.44 178.77 2q5y h ALA 734 N 1.77 -0.22 -0.58 1.53 0.00 -1.34 -3.21 119.26 117.20 2q5y h ALA 734 Ca 0.17 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2q5y h ALA 734 Cb 0.20 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2q5y h ALA 734 CO -0.04 -0.50 -0.14 0.87 0.00 0.00 0.00 179.25 179.44 2q5y h LYS 735 N -0.48 0.00 -0.72 0.00 1.57 -1.41 0.10 116.57 115.62 2q5y h LYS 735 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2q5y h LYS 735 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2q5y h LYS 735 CO 0.04 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.36 2q5y n ILE 736 N -5.40 0.00 -3.46 1.86 -5.35 -1.08 -4.80 119.36 101.13 2q5y n ILE 736 Ca 0.06 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.17 2q5y n ILE 736 Cb 0.30 -0.37 -0.06 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.20 5.12 0.71 7.28 2.01 0.35 -4.68 115.64 125.24 2q5y s THR 737 Ca 0.00 0.81 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 2q5y s THR 737 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2q5y s THR 737 CO 0.00 0.48 1.07 0.54 -0.69 0.00 0.00 174.62 176.02 2q5y s ASN 738 N -0.36 5.37 0.00 3.53 6.03 -0.69 -4.92 114.94 123.91 2q5y s ASN 738 Ca 0.23 1.36 0.00 0.00 -1.03 0.00 0.00 52.86 53.42 2q5y s ASN 738 Cb -0.16 -2.22 0.00 0.00 -3.03 0.00 0.00 41.25 35.85 2q5y s ASN 738 CO 0.11 -1.41 0.94 -0.62 -2.03 0.00 0.00 177.10 174.09 2q5y n GLU 739 N -3.08 0.00 -0.19 3.55 1.02 -1.26 -0.81 120.64 119.86 2q5y n GLU 739 Ca 0.07 0.45 0.10 0.00 -0.02 0.00 0.00 57.16 57.75 2q5y n GLU 739 Cb 0.55 -1.54 0.26 0.00 -0.02 0.00 0.00 31.44 30.70 2q5y n GLU 739 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2q5y n LYS 740 N -1.44 2.13 -1.03 3.49 5.02 -1.26 -4.92 118.16 120.14 2q5y n LYS 740 Ca 0.00 -1.74 -0.01 0.00 -2.02 0.00 0.00 58.31 54.54 2q5y n LYS 740 Cb 0.04 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.31 0.49 3.86 0.72 0.00 0.01 -5.04 105.19 106.54 2q5y n GLY 741 Ca 0.17 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.68 3.36 -0.08 1.61 2.02 -1.25 -4.29 118.70 118.39 2q5y s GLU 742 Ca 0.00 -0.26 -0.00 0.00 0.02 0.00 0.00 54.97 54.72 2q5y s GLU 742 Cb 0.00 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.17 2q5y s GLU 742 CO 0.00 0.72 -0.05 0.00 0.02 0.00 0.00 175.26 175.95 2q5y s ILE 744 N 1.55 0.02 0.30 0.00 1.01 -1.26 -0.57 121.20 122.25 2q5y s ILE 744 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 60.65 60.56 2q5y s ILE 744 Cb -0.13 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 2q5y s ILE 744 CO -0.05 -0.24 -0.12 0.54 0.00 0.00 0.00 174.94 175.07 2q5y s VAL 745 N 2.09 2.56 -0.13 2.92 0.11 -0.24 -4.86 120.40 122.85 2q5y s VAL 745 Ca 0.02 -2.24 -0.02 0.00 -2.93 0.00 0.00 61.98 56.80 2q5y s VAL 745 Cb -0.16 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2q5y s VAL 745 CO -0.09 -0.32 -0.05 -0.44 -3.33 0.00 0.00 175.10 170.87 2q5y s SER 746 N -3.58 4.71 -0.37 3.54 0.01 -1.26 0.38 113.70 117.13 2q5y s SER 746 Ca 0.31 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 2q5y s SER 746 Cb -0.03 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 2q5y s SER 746 CO 0.17 0.22 0.34 0.47 0.41 0.00 0.00 173.24 174.85 2q5y n ASP 747 N 3.19 -4.54 -4.83 2.44 8.00 -0.66 -4.89 116.55 115.26 2q5y n ASP 747 Ca -0.18 -0.10 -0.38 0.00 0.71 0.00 0.00 54.79 54.85 2q5y n ASP 747 Cb 0.53 -2.90 -0.06 0.00 -0.02 0.00 0.00 41.12 38.66 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 -3.04 3.68 -0.01 1.24 5.36 0.66 -4.59 117.98 121.28 2q5y s PHE 748 Ca 0.05 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 56.96 2q5y s PHE 748 Cb -0.01 -2.27 -0.01 0.00 -0.34 0.00 0.00 43.02 40.39 2q5y s PHE 748 CO 0.34 0.59 -0.11 0.99 -1.46 0.00 0.00 175.22 175.58 2q5y s THR 749 N -0.84 0.87 -0.03 0.12 2.01 -0.10 0.12 115.64 117.79 2q5y s THR 749 Ca 0.22 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 2q5y s THR 749 Cb -0.16 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.65 2q5y s THR 749 CO 0.11 0.25 0.02 -0.51 -0.69 0.00 0.00 174.62 173.80 2q5y s ILE 750 N -0.16 0.09 0.33 1.82 2.07 -0.86 0.09 121.20 124.58 2q5y s ILE 750 Ca 0.03 0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 2q5y s ILE 750 Cb -0.05 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 2q5y s ILE 750 CO -0.00 0.14 0.38 0.61 -1.91 0.00 0.00 174.94 174.15 2q5y n GLY 751 N 4.33 2.52 2.69 1.50 0.00 -0.44 -0.94 105.19 114.84 2q5y n GLY 751 Ca -0.23 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 2q5y n GLY 751 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q5y s ARG 752 N -3.00 0.20 0.03 1.61 3.52 -0.29 -0.98 118.95 120.05 2q5y s ARG 752 Ca 0.32 0.12 -0.38 0.00 -0.13 0.00 0.00 55.73 55.66 2q5y s ARG 752 Cb 0.00 -1.10 -0.18 0.00 -1.56 0.00 0.00 34.95 32.11 2q5y s ARG 752 CO 0.23 -0.44 1.23 1.63 -0.81 0.00 0.00 175.30 177.14 2q5y n LYS 753 N 5.23 0.61 0.00 5.12 5.02 -0.23 -0.77 118.16 133.15 2q5y n LYS 753 Ca -0.06 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2q5y n LYS 753 Cb 0.49 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.11 2.60 0.05 0.72 0.00 -1.26 -4.77 105.19 104.64 2q5y n GLY 754 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.99 0.00 -2.81 1.61 4.02 0.05 -4.42 117.16 113.62 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 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 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 2.90 -1.10 3.45 2.72 0.00 -0.98 -0.61 105.19 111.56 2q5y n GLY 756 Ca -0.17 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.47 -0.58 -0.14 1.61 1.04 0.40 -1.13 113.70 111.43 2q5y s SER 757 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2q5y s SER 757 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2q5y s SER 757 CO 0.00 -0.84 -0.12 -0.63 0.98 0.00 0.00 173.24 172.62 2q5y s ILE 758 N -2.88 1.43 -0.19 -1.02 1.01 -0.11 -0.50 121.20 118.93 2q5y s ILE 758 Ca -0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 2q5y s ILE 758 Cb -0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2q5y s ILE 758 CO -0.05 0.43 0.08 -0.47 0.00 0.00 0.00 174.94 174.93 2q5y s TYR 759 N 1.55 3.26 -0.28 3.97 5.04 0.04 -2.02 117.35 128.90 2q5y s TYR 759 Ca 0.05 0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 2q5y s TYR 759 Cb -0.13 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.13 2q5y s TYR 759 CO -0.10 0.12 -0.07 -0.06 -1.34 0.00 0.00 175.55 174.10 2q5y s PHE 760 N 0.52 3.33 0.32 4.97 0.40 0.33 -0.84 117.98 127.01 2q5y s PHE 760 Ca 0.04 -2.32 -0.20 0.00 -0.60 0.00 0.00 56.93 53.85 2q5y s PHE 760 Cb -0.13 -2.10 -0.09 0.00 0.51 0.00 0.00 43.02 41.21 2q5y s PHE 760 CO 0.01 -0.88 0.82 -1.21 0.70 0.00 0.00 175.22 174.66 2q5y s GLU 761 N 1.11 4.23 0.55 0.44 2.02 -1.26 -0.25 118.70 125.54 2q5y s GLU 761 Ca -0.06 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2q5y s GLU 761 Cb -0.20 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2q5y s GLU 761 CO -0.05 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2q5y n GLY 762 N 0.02 -1.82 3.72 -1.39 0.00 -1.26 -4.77 105.19 99.70 2q5y n GLY 762 Ca 0.03 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -4.00 7.41 -0.09 1.61 1.01 -1.26 -1.65 116.67 119.70 2q5y s ASP 763 Ca 0.00 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.08 2q5y s ASP 763 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.37 2q5y s ASP 763 CO 0.00 -0.16 -0.08 -0.69 0.21 0.00 0.00 175.17 174.45 2q5y s VAL 764 N 0.27 0.98 -0.54 -1.27 1.01 0.16 -4.96 120.40 116.05 2q5y s VAL 764 Ca 0.49 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2q5y s VAL 764 Cb -0.24 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.24 2q5y s VAL 764 CO 0.30 0.34 0.68 0.21 0.00 0.00 0.00 175.10 176.64 2q5y s ASN 765 N 1.32 6.22 0.00 3.32 3.84 -1.26 -1.08 114.94 127.31 2q5y s ASN 765 Ca -0.03 -0.98 0.27 0.00 0.21 0.00 0.00 52.86 52.33 2q5y s ASN 765 Cb -0.14 -2.31 0.88 0.00 -0.55 0.00 0.00 41.25 39.13 2q5y s ASN 765 CO -0.04 -0.99 1.64 0.18 -2.79 0.00 0.00 177.10 175.10 2q5y n LEU 766 N 6.38 1.04 -4.71 3.21 4.77 0.27 -4.61 117.00 123.35 2q5y n LEU 766 Ca -0.06 -0.27 -0.64 0.00 -0.03 0.00 0.00 56.01 55.01 2q5y n LEU 766 Cb 0.45 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2q5y n LEU 766 CO 0.56 0.19 1.12 0.41 -1.33 0.00 0.00 177.39 178.34 2q5y n THR 767 N -0.54 0.08 -1.75 -5.08 -1.04 -1.20 -1.41 114.28 103.35 2q5y n THR 767 Ca 0.14 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 2q5y n THR 767 Cb 0.34 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 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 4.02 -4.87 -4.67 8.00 3.02 0.49 -4.95 115.26 116.29 2q5y n ASN 768 Ca 0.28 0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 54.77 2q5y n ASN 768 Cb 0.01 -4.30 -0.04 0.00 -0.61 0.00 0.00 39.78 34.85 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 -4.76 4.19 -0.95 3.41 1.43 -0.50 -4.89 118.68 116.61 2q5y s LEU 769 Ca 0.00 1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 54.12 2q5y s LEU 769 Cb 0.00 -3.25 0.13 0.00 0.03 0.00 0.00 46.19 43.10 2q5y s LEU 769 CO 0.00 -0.39 1.15 0.21 0.23 0.00 0.00 176.35 177.55 2q5y s ASN 770 N 1.13 6.66 0.46 2.29 3.84 -1.26 -2.30 114.94 125.76 2q5y s ASN 770 Ca 0.39 -2.12 0.14 0.00 0.21 0.00 0.00 52.86 51.48 2q5y s ASN 770 Cb -0.17 -2.40 1.06 0.00 -0.55 0.00 0.00 41.25 39.19 2q5y s ASN 770 CO 0.13 -1.04 2.04 -0.07 -2.79 0.00 0.00 177.10 175.38 2q5y h LEU 771 N 10.34 0.06 -0.83 3.21 3.38 -1.66 -1.10 115.31 128.72 2q5y h LEU 771 Ca 0.17 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2q5y h LEU 771 Cb 1.01 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2q5y h LEU 771 CO 1.11 0.16 0.50 0.44 0.09 0.00 0.00 178.44 180.74 2q5y h ASP 772 N 0.07 0.76 0.87 -0.43 3.45 -1.79 -0.61 116.42 118.74 2q5y h ASP 772 Ca 0.02 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2q5y h ASP 772 Cb 0.19 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2q5y h ASP 772 CO 0.01 0.47 -1.12 0.47 -1.57 0.00 0.00 179.24 177.50 2q5y n ASP 773 N -4.67 0.74 -0.08 6.45 8.00 -0.91 -4.53 116.55 121.54 2q5y n ASP 773 Ca 0.13 0.28 -0.14 0.00 0.71 0.00 0.00 54.79 55.77 2q5y n ASP 773 Cb 0.21 0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 2q5y n ASP 773 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2q5y h ILE 774 N 0.00 0.72 -3.51 0.53 2.04 -0.85 -3.39 117.51 113.05 2q5y h ILE 774 Ca 0.00 -1.77 -0.61 0.00 1.00 0.00 0.00 64.86 63.48 2q5y h ILE 774 Cb 1.00 1.59 -0.11 0.00 -0.74 0.00 0.00 36.82 38.55 2q5y h ILE 774 CO 0.00 0.24 -0.02 -0.69 0.00 0.00 0.00 178.15 177.69 2q5y s VAL 775 N -2.22 5.08 -0.16 1.67 1.01 -0.27 -0.41 120.40 125.10 2q5y s VAL 775 Ca -0.21 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2q5y s VAL 775 Cb 0.03 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2q5y s VAL 775 CO 0.45 0.13 -0.05 -1.00 0.00 0.00 0.00 175.10 174.63 2q5y s HIS 776 N 1.94 1.66 -0.30 5.22 3.76 -0.00 -4.78 115.29 122.79 2q5y s HIS 776 Ca 0.23 -1.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 2q5y s HIS 776 Cb -0.15 -1.29 0.07 0.00 1.11 0.00 0.00 32.58 32.31 2q5y s HIS 776 CO 0.09 -0.61 -0.02 0.42 -0.85 0.00 0.00 174.74 173.78 2q5y s ILE 777 N 1.65 2.49 0.40 0.60 1.01 -1.26 -0.50 121.20 125.58 2q5y s ILE 777 Ca 0.01 -1.78 0.07 0.00 0.00 0.00 0.00 60.65 58.95 2q5y s ILE 777 Cb -0.15 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 2q5y s ILE 777 CO -0.08 -0.24 0.02 -0.13 0.00 0.00 0.00 174.94 174.51 2q5y s ARG 778 N 1.09 1.92 -0.35 2.79 0.52 0.25 -4.88 118.95 120.29 2q5y s ARG 778 Ca -0.02 -2.08 -0.35 0.00 -0.52 0.00 0.00 55.73 52.76 2q5y s ARG 778 Cb -0.20 -1.54 -0.11 0.00 0.52 0.00 0.00 34.95 33.62 2q5y s ARG 778 CO -0.05 -0.07 2.19 -2.13 0.02 0.00 0.00 175.30 175.27 2q5y n ARG 779 N -0.93 1.07 -2.32 3.54 3.00 -1.26 -0.59 116.66 119.17 2q5y n ARG 779 Ca -0.05 0.29 -0.17 0.00 -0.00 0.00 0.00 57.85 57.92 2q5y n ARG 779 Cb 0.67 -2.46 -0.01 0.00 0.00 0.00 0.00 32.46 30.66 2q5y n ARG 779 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2q5y n LYS 780 N 8.20 -1.40 -3.64 -0.14 4.81 -1.26 -4.98 118.16 119.75 2q5y n LYS 780 Ca 0.41 0.85 -0.06 0.00 -0.87 0.00 0.00 58.31 58.65 2q5y n LYS 780 Cb 0.23 -5.33 -0.07 0.00 0.02 0.00 0.00 35.03 29.88 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 -4.85 0.58 -0.03 1.64 2.12 0.24 -5.14 118.70 113.27 2q5y s GLU 781 Ca 0.00 0.93 0.05 0.00 0.36 0.00 0.00 54.97 56.31 2q5y s GLU 781 Cb 0.00 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 2q5y s GLU 781 CO 0.00 -0.11 -0.18 0.08 -0.54 0.00 0.00 175.26 174.51 2q5y s VAL 782 N 1.27 1.42 -0.05 3.70 1.01 -1.26 0.85 120.40 127.34 2q5y s VAL 782 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2q5y s VAL 782 Cb -0.04 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2q5y s VAL 782 CO -0.15 0.41 -0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2q5y s VAL 783 N -0.19 0.39 -0.32 2.92 1.01 0.34 -5.02 120.40 119.54 2q5y s VAL 783 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2q5y s VAL 783 Cb -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 36.38 35.91 2q5y s VAL 783 CO 0.01 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2q5y s VAL 784 N 1.21 2.17 0.00 2.92 1.01 -1.26 -0.82 120.40 125.63 2q5y s VAL 784 Ca -0.07 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.78 2q5y s VAL 784 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2q5y s VAL 784 CO -0.02 -0.48 0.00 -1.22 0.00 0.00 0.00 175.10 173.39 2q5y n TYR 785 N 4.33 0.00 -0.35 5.22 4.02 0.45 -4.90 117.16 125.93 2q5y n TYR 785 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2q5y n TYR 785 Cb 0.42 -0.89 0.12 0.00 -0.02 0.00 0.00 39.34 38.97 2q5y n TYR 785 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2q5y h LEU 786 N 0.00 1.03 -8.48 7.72 3.38 -1.77 -3.42 115.31 113.76 2q5y h LEU 786 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 2q5y h LEU 786 Cb 0.00 -0.24 -0.27 0.00 0.09 0.00 0.00 40.66 40.24 2q5y h LEU 786 CO 0.00 0.71 -0.73 -0.62 0.09 0.00 0.00 178.44 177.89 2q5y s ASP 787 N -5.97 4.27 0.52 -0.43 2.15 -1.26 -5.00 116.67 110.95 2q5y s ASP 787 Ca -0.13 -0.36 0.19 0.00 0.43 0.00 0.00 52.55 52.68 2q5y s ASP 787 Cb 0.18 -1.71 1.30 0.00 -0.30 0.00 0.00 42.92 42.39 2q5y s ASP 787 CO 0.81 0.04 2.10 0.44 -0.17 0.00 0.00 175.17 178.38 2q5y h ASP 788 N 7.67 0.01 0.35 -0.34 3.32 -1.96 -0.64 116.42 124.83 2q5y h ASP 788 Ca -0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2q5y h ASP 788 Cb 1.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2q5y h ASP 788 CO 0.60 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.72 2q5y n ASN 789 N -4.49 0.00 -0.88 6.45 5.03 -1.26 -2.63 115.26 117.49 2q5y n ASN 789 Ca 0.01 0.42 0.05 0.00 0.87 0.00 0.00 54.58 55.93 2q5y n ASN 789 Cb 0.26 -0.45 0.10 0.00 -1.02 0.00 0.00 39.78 38.67 2q5y n ASN 789 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2q5y n GLN 790 N -1.45 0.75 -4.10 3.52 6.02 -0.25 -5.03 117.38 116.83 2q5y n GLN 790 Ca 0.03 -2.45 -0.35 0.00 -0.01 0.00 0.00 57.00 54.23 2q5y n GLN 790 Cb 0.12 -0.85 -0.13 0.00 1.02 0.00 0.00 30.24 30.41 2q5y n GLN 790 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2q5y s LYS 791 N -1.56 3.55 1.27 -1.09 2.20 -1.08 -4.96 119.74 118.07 2q5y s LYS 791 Ca 0.31 -0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.20 2q5y s LYS 791 Cb 0.32 -3.03 0.32 0.00 -1.51 0.00 0.00 37.83 33.94 2q5y s LYS 791 CO -0.09 -0.01 0.99 -1.25 -0.36 0.00 0.00 175.35 174.63 2q5y s PRO 792 N 1.04 -1.73 0.58 4.03 0.04 -1.26 -4.98 135.00 132.71 2q5y s PRO 792 Ca 0.01 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 2q5y s PRO 792 Cb -0.14 -1.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 2q5y s PRO 792 CO 0.01 -4.17 1.04 -1.25 0.04 0.00 0.00 177.00 172.67 2q5y s PRO 793 N -4.76 3.43 0.26 0.56 0.04 -1.26 -4.91 135.00 128.36 2q5y s PRO 793 Ca 0.69 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 2q5y s PRO 793 Cb -0.20 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 2q5y s PRO 793 CO 0.61 -0.72 0.83 0.28 0.04 0.00 0.00 177.00 178.05 2q5y n VAL 794 N -1.98 1.99 0.00 -0.36 0.31 -1.26 -1.61 118.33 115.42 2q5y n VAL 794 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2q5y n VAL 794 Cb 0.53 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 1.50 3.37 3.69 2.92 0.00 -0.29 -5.02 105.19 111.37 2q5y n GLY 795 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.76 2.59 7.68 1.61 2.02 -0.64 -4.87 118.70 126.34 2q5y s GLU 796 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2q5y s GLU 796 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2q5y s GLU 796 CO 0.00 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.24 2q5y n GLY 797 N 0.60 3.14 0.83 -1.39 0.00 -1.26 -1.84 105.19 105.26 2q5y n GLY 797 Ca -0.11 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 2.99 -3.67 0.99 4.77 -1.26 -4.66 117.00 116.16 2q5y n LEU 798 Ca 0.00 -1.64 -0.41 0.00 -0.03 0.00 0.00 56.01 53.93 2q5y n LEU 798 Cb 0.00 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2q5y n LEU 798 CO 0.00 0.69 2.18 -3.20 -1.33 0.00 0.00 177.39 175.73 2q5y n ASN 799 N 0.95 6.59 -3.39 -1.43 5.15 -0.77 -4.67 115.26 117.70 2q5y n ASN 799 Ca 0.14 -3.12 -0.15 0.00 -0.60 0.00 0.00 54.58 50.85 2q5y n ASN 799 Cb 0.47 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.25 2q5y n ASN 799 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2q5y s ARG 800 N -0.39 1.82 0.41 1.20 1.70 -1.26 -1.13 118.95 121.29 2q5y s ARG 800 Ca 0.47 -1.73 -0.27 0.00 -0.47 0.00 0.00 55.73 53.73 2q5y s ARG 800 Cb 0.14 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 2q5y s ARG 800 CO -0.04 -0.74 1.42 -1.59 -1.08 0.00 0.00 175.30 173.27 2q5y s LYS 801 N -3.25 3.92 0.26 3.89 -2.85 0.27 -3.98 119.74 118.00 2q5y s LYS 801 Ca 0.31 2.41 -0.21 0.00 -1.00 0.00 0.00 55.97 57.48 2q5y s LYS 801 Cb 0.00 -2.80 0.04 0.00 -2.06 0.00 0.00 37.83 33.00 2q5y s LYS 801 CO 0.20 -0.62 0.79 0.00 0.10 0.00 0.00 175.35 175.81 2q5y s ALA 802 N -1.18 -1.28 -0.21 0.59 0.00 -0.86 -4.63 121.76 114.19 2q5y s ALA 802 Ca 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 2q5y s ALA 802 Cb -0.43 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 2q5y s ALA 802 CO 0.57 -1.04 -0.08 -2.00 0.00 0.00 0.00 175.76 173.21 2q5y s GLU 803 N -3.55 3.27 -0.17 0.00 2.12 -0.02 -1.26 118.70 119.09 2q5y s GLU 803 Ca 0.12 -0.68 -0.07 0.00 0.36 0.00 0.00 54.97 54.69 2q5y s GLU 803 Cb -0.05 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2q5y s GLU 803 CO 0.06 -0.21 0.09 0.08 -0.54 0.00 0.00 175.26 174.74 2q5y s VAL 804 N 1.43 5.01 -0.16 3.70 1.01 0.47 -0.78 120.40 131.09 2q5y s VAL 804 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2q5y s VAL 804 Cb -0.14 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2q5y s VAL 804 CO -0.06 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 2q5y s THR 805 N 0.01 2.38 -0.27 3.92 2.01 0.35 -1.42 115.64 122.62 2q5y s THR 805 Ca 0.07 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 2q5y s THR 805 Cb -0.12 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.42 2q5y s THR 805 CO 0.00 0.52 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.68 2q5y s LEU 806 N 1.02 3.46 0.46 4.42 1.43 0.30 -0.45 118.68 129.32 2q5y s LEU 806 Ca -0.02 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.21 2q5y s LEU 806 Cb -0.15 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2q5y s LEU 806 CO -0.05 -0.17 0.65 -1.81 0.23 0.00 0.00 176.35 175.21 2q5y s ASP 807 N 1.35 5.62 -1.43 2.29 1.01 0.22 -0.56 116.67 125.16 2q5y s ASP 807 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.18 2q5y s ASP 807 Cb -0.17 -1.03 0.00 0.00 1.01 0.00 0.00 42.92 42.72 2q5y s ASP 807 CO -0.02 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2q5y n GLY 808 N -2.04 -0.14 3.43 0.21 0.00 -0.20 -4.53 105.19 101.91 2q5y n GLY 808 Ca 0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.80 4.96 0.02 1.61 1.01 0.33 -4.91 120.40 120.62 2q5y s VAL 809 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2q5y s VAL 809 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2q5y s VAL 809 CO 0.00 -0.25 -0.04 0.26 0.00 0.00 0.00 175.10 175.07 2q5y s TRP 810 N 1.63 0.32 0.82 5.22 0.51 -1.26 -4.53 118.94 121.64 2q5y s TRP 810 Ca 0.04 -0.47 -0.12 0.00 -2.12 0.00 0.00 56.10 53.43 2q5y s TRP 810 Cb -0.19 -0.22 0.08 0.00 -0.81 0.00 0.00 33.47 32.34 2q5y s TRP 810 CO 0.09 -0.15 1.10 -1.25 -0.51 0.00 0.00 176.95 176.23 2q5y s PRO 811 N -1.33 1.94 -0.12 4.98 0.04 -1.26 -4.75 135.00 134.49 2q5y s PRO 811 Ca -0.13 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 2q5y s PRO 811 Cb -0.09 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2q5y s PRO 811 CO -0.01 -1.71 -0.03 0.99 0.04 0.00 0.00 177.00 176.28 2q5y s THR 812 N -3.16 3.98 0.04 1.26 2.01 -1.26 -0.09 115.64 118.42 2q5y s THR 812 Ca 0.61 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2q5y s THR 812 Cb -0.15 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 2q5y s THR 812 CO 0.54 0.55 1.54 -0.62 -0.69 0.00 0.00 174.62 175.94 2q5y s ASP 813 N -0.22 6.71 0.57 3.53 -1.08 0.24 -4.89 116.67 121.53 2q5y s ASP 813 Ca 0.04 2.33 0.26 0.00 -0.52 0.00 0.00 52.55 54.67 2q5y s ASP 813 Cb -0.13 -2.56 1.58 0.00 -1.46 0.00 0.00 42.92 40.35 2q5y s ASP 813 CO 0.02 -0.81 2.12 0.11 0.52 0.00 0.00 175.17 177.13 2q5y h LYS 814 N 8.07 0.00 0.00 4.34 1.57 -1.98 0.57 116.57 129.14 2q5y h LYS 814 Ca -0.41 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 2q5y h LYS 814 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2q5y h LYS 814 CO 0.92 0.00 -1.06 2.41 -0.57 0.00 0.00 179.45 181.15 2q5y n THR 815 N -4.01 1.48 0.22 -0.16 -1.04 -1.26 -4.55 114.28 104.96 2q5y n THR 815 Ca 0.01 0.07 0.11 0.00 -2.04 0.00 0.00 64.05 62.21 2q5y n THR 815 Cb 0.28 -2.25 0.31 0.00 -1.82 0.00 0.00 70.33 66.85 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 -1.00 0.00 -1.06 8.00 4.64 -1.98 -3.46 113.55 118.68 2q5y h SER 816 Ca -0.16 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.85 2q5y h SER 816 Cb 0.94 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.93 2q5y h SER 816 CO -0.10 0.11 -0.31 0.54 -0.87 0.00 0.00 176.83 176.21 2q5y n ARG 817 N -3.16 -1.09 -4.04 4.77 3.00 0.19 -4.99 116.66 111.35 2q5y n ARG 817 Ca 0.02 0.96 -0.29 0.00 -0.01 0.00 0.00 57.85 58.54 2q5y n ARG 817 Cb 0.50 -5.15 -0.06 0.00 0.00 0.00 0.00 32.46 27.75 2q5y n ARG 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2q5y s LEU 819 N -2.71 3.36 -0.38 0.00 2.34 -1.26 -0.59 118.68 119.44 2q5y s LEU 819 Ca 0.31 2.21 -0.08 0.00 0.06 0.00 0.00 54.13 56.62 2q5y s LEU 819 Cb -0.11 -4.57 0.05 0.00 -0.56 0.00 0.00 46.19 41.00 2q5y s LEU 819 CO 0.24 -1.98 0.19 -0.63 -1.06 0.00 0.00 176.35 173.11 2q5y s ILE 820 N -2.12 4.09 -0.42 1.48 1.01 0.87 -4.75 121.20 121.36 2q5y s ILE 820 Ca 0.71 -1.22 0.13 0.00 0.00 0.00 0.00 60.65 60.28 2q5y s ILE 820 Cb -0.25 -3.40 -0.17 0.00 0.01 0.00 0.00 42.46 38.65 2q5y s ILE 820 CO 0.43 -0.34 0.47 0.29 0.00 0.00 0.00 174.94 175.80 2q5y n LYS 821 N 4.88 1.83 -1.64 2.79 5.02 -1.26 -4.27 118.16 125.51 2q5y n LYS 821 Ca -0.11 -0.04 -0.48 0.00 -2.02 0.00 0.00 58.31 55.66 2q5y n LYS 821 Cb 0.44 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2q5y n LYS 821 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2q5y n SER 822 N -1.55 3.26 -0.28 4.39 2.88 -1.26 -4.88 113.62 116.18 2q5y n SER 822 Ca 0.01 0.78 0.01 0.00 -1.33 0.00 0.00 58.87 58.34 2q5y n SER 822 Cb 0.26 -1.39 0.14 0.00 -0.75 0.00 0.00 64.21 62.47 2q5y n SER 822 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2q5y h PRO 823 N 10.57 0.82 -0.56 -1.46 0.11 -1.95 0.20 132.00 139.74 2q5y h PRO 823 Ca -0.44 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2q5y h PRO 823 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2q5y h PRO 823 CO 0.96 0.54 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.82 2q5y h ASP 824 N 0.85 0.97 -0.40 -2.05 3.32 -1.99 -1.12 116.42 115.99 2q5y h ASP 824 Ca 0.36 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2q5y h ASP 824 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2q5y h ASP 824 CO -0.20 1.04 -0.02 0.03 -1.72 0.00 0.00 179.24 178.37 2q5y h ARG 825 N 0.90 0.72 -0.39 3.56 2.47 -1.81 -0.41 114.38 119.42 2q5y h ARG 825 Ca 0.16 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2q5y h ARG 825 Cb 0.57 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2q5y h ARG 825 CO 0.03 0.82 0.09 -0.07 0.56 0.00 0.00 179.97 181.40 2q5y h LEU 826 N 0.54 0.52 -0.07 3.04 3.38 -0.79 -1.93 115.31 120.01 2q5y h LEU 826 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2q5y h LEU 826 Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2q5y h LEU 826 CO 0.02 0.53 -0.06 0.00 0.09 0.00 0.00 178.44 179.02 2q5y h ALA 827 N 1.55 0.10 -0.99 1.53 0.00 -0.99 -1.46 119.26 118.99 2q5y h ALA 827 Ca 0.13 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2q5y h ALA 827 Cb 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2q5y h ALA 827 CO -0.00 -0.10 0.64 0.22 0.00 0.00 0.00 179.25 180.00 2q5y h ASP 828 N -0.27 0.98 -0.18 0.00 1.82 -0.73 -0.69 116.42 117.35 2q5y h ASP 828 Ca 0.01 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2q5y h ASP 828 Cb 0.56 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2q5y h ASP 828 CO 0.02 0.59 0.00 2.30 -1.61 0.00 0.00 179.24 180.54 2q5y n ILE 829 N -4.54 0.22 -3.83 2.25 -5.35 -0.75 -4.95 119.36 102.41 2q5y n ILE 829 Ca 0.16 -0.42 -0.26 0.00 -0.27 0.00 0.00 62.75 61.96 2q5y n ILE 829 Cb 0.25 0.58 0.01 0.00 -1.74 0.00 0.00 39.64 38.73 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 0.58 -1.87 -0.22 7.28 5.15 -0.27 -4.88 115.26 121.04 2q5y n ASN 830 Ca 0.17 -0.98 -0.06 0.00 -0.60 0.00 0.00 54.58 53.11 2q5y n ASN 830 Cb 0.40 -3.33 0.04 0.00 -0.53 0.00 0.00 39.78 36.36 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 -1.86 0.83 -0.45 1.20 3.20 -1.54 -2.20 116.97 116.16 2q5y h TYR 831 Ca -0.64 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.20 2q5y h TYR 831 Cb 1.37 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2q5y h TYR 831 CO 0.44 0.58 0.17 1.05 -1.64 0.00 0.00 178.16 178.75 2q5y h GLU 832 N 0.85 0.64 -0.14 1.82 4.11 -1.90 -0.41 114.58 119.54 2q5y h GLU 832 Ca 0.22 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 2q5y h GLU 832 Cb -0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2q5y h GLU 832 CO -0.04 0.54 -0.25 0.78 0.07 0.00 0.00 179.01 180.11 2q5y h GLY 833 N 0.80 0.28 1.02 1.06 0.00 -1.82 0.27 103.07 104.67 2q5y h GLY 833 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2q5y h GLY 833 CO -0.01 0.20 -0.07 -0.09 0.00 0.00 0.00 176.54 176.57 2q5y h ARG 834 N 0.24 0.87 -0.15 4.80 2.43 -0.53 -0.86 114.38 121.17 2q5y h ARG 834 Ca 0.04 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 58.75 2q5y h ARG 834 Cb 0.58 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2q5y h ARG 834 CO 0.04 0.95 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.84 2q5y h LEU 835 N 0.72 0.49 -0.87 3.80 3.38 -0.53 -2.34 115.31 119.96 2q5y h LEU 835 Ca 0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2q5y h LEU 835 Cb 0.60 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2q5y h LEU 835 CO 0.04 0.93 0.08 -0.08 0.09 0.00 0.00 178.44 179.51 2q5y h GLU 836 N 0.34 0.93 -0.41 1.13 4.81 -0.19 -1.32 114.58 119.87 2q5y h GLU 836 Ca 0.01 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2q5y h GLU 836 Cb 1.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2q5y h GLU 836 CO 0.10 0.87 -0.14 0.00 -0.73 0.00 0.00 179.01 179.10 2q5y h ALA 837 N 1.21 0.57 -0.82 2.92 0.00 -1.04 -2.08 119.26 120.03 2q5y h ALA 837 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2q5y h ALA 837 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2q5y h ALA 837 CO 0.01 0.48 0.38 0.28 0.00 0.00 0.00 179.25 180.40 2q5y h VAL 838 N 0.64 1.26 -0.58 0.00 2.07 -1.13 -0.51 116.25 117.99 2q5y h VAL 838 Ca 0.10 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2q5y h VAL 838 Cb 0.68 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2q5y h VAL 838 CO 0.05 0.31 0.15 0.28 0.02 0.00 0.00 177.57 178.38 2q5y h SER 839 N 1.17 0.83 -0.26 0.57 0.02 -1.09 -2.64 113.55 112.15 2q5y h SER 839 Ca 0.28 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2q5y h SER 839 Cb 0.14 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2q5y h SER 839 CO -0.03 0.80 -0.28 -0.09 -1.14 0.00 0.00 176.83 176.09 2q5y h ARG 840 N 0.86 0.64 0.00 3.45 2.43 -0.73 0.84 114.38 121.86 2q5y h ARG 840 Ca 0.19 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2q5y h ARG 840 Cb 0.29 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2q5y h ARG 840 CO -0.00 0.95 -0.05 0.87 -1.51 0.00 0.00 179.97 180.23 2q5y h LYS 841 N 0.36 0.00 -0.01 0.20 1.57 -0.97 -1.25 116.57 116.47 2q5y h LYS 841 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2q5y h LYS 841 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2q5y h LYS 841 CO 0.07 0.05 -0.13 1.04 -0.57 0.00 0.00 179.45 179.90 2q5y n GLN 842 N -4.28 1.34 -0.64 3.15 6.02 -1.01 -4.95 117.38 117.01 2q5y n GLN 842 Ca -0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.13 2q5y n GLN 842 Cb 0.13 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 1.27 0.67 3.98 1.08 0.00 -0.47 -5.07 105.19 106.65 2q5y n GLY 843 Ca 0.15 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.14 -0.39 4.61 0.00 0.26 -4.75 121.76 123.63 2q5y s ALA 844 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 2q5y s ALA 844 Cb 0.00 -1.85 0.07 0.00 0.00 0.00 0.00 23.12 21.33 2q5y s ALA 844 CO 0.00 -0.35 0.20 -0.65 0.00 0.00 0.00 175.76 174.96 2q5y s GLN 845 N -4.44 2.56 0.31 0.00 -0.21 0.11 -4.04 119.66 113.95 2q5y s GLN 845 Ca 0.52 -1.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.21 2q5y s GLN 845 Cb -0.10 -3.65 -0.11 0.00 1.00 0.00 0.00 33.01 30.14 2q5y s GLN 845 CO 0.35 -0.86 1.59 0.34 -2.12 0.00 0.00 175.29 174.59 2q5y n PHE 846 N 4.85 2.92 -0.07 0.91 7.35 -1.26 -0.29 117.46 131.87 2q5y n PHE 846 Ca -0.10 0.28 -0.14 0.00 -0.76 0.00 0.00 57.45 56.73 2q5y n PHE 846 Cb 0.43 -2.59 -0.05 0.00 0.35 0.00 0.00 39.48 37.62 2q5y n PHE 846 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2q5y n LYS 847 N 1.86 0.29 -3.78 -4.13 4.76 0.51 -4.88 118.16 112.79 2q5y n LYS 847 Ca 0.07 0.12 0.01 0.00 -2.87 0.00 0.00 58.31 55.64 2q5y n LYS 847 Cb 0.37 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 -2.25 0.59 -0.05 1.97 -1.05 -0.97 -5.01 118.70 111.94 2q5y s GLU 848 Ca -0.19 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 2q5y s GLU 848 Cb 0.07 0.18 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2q5y s GLU 848 CO 0.24 -0.27 0.07 -0.47 0.95 0.00 0.00 175.26 175.78 2q5y s TYR 849 N -2.34 0.02 -0.37 4.83 5.04 -1.25 -0.46 117.35 122.81 2q5y s TYR 849 Ca 0.20 0.31 -0.09 0.00 -2.44 0.00 0.00 57.07 55.05 2q5y s TYR 849 Cb 0.02 -0.42 0.05 0.00 0.35 0.00 0.00 41.96 41.95 2q5y s TYR 849 CO -0.01 -0.19 0.19 1.03 -1.34 0.00 0.00 175.55 175.22 2q5y s ARG 850 N 2.08 2.69 0.27 4.97 0.52 0.05 -4.95 118.95 124.57 2q5y s ARG 850 Ca 0.03 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2q5y s ARG 850 Cb -0.12 -3.65 0.58 0.00 0.52 0.00 0.00 34.95 32.27 2q5y s ARG 850 CO -0.03 -0.76 1.71 -1.35 0.02 0.00 0.00 175.30 174.89 2q5y h PRO 851 N 8.35 0.41 -0.65 3.54 0.11 -1.95 -0.45 132.00 141.36 2q5y h PRO 851 Ca -0.24 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.98 2q5y h PRO 851 Cb 1.09 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 2q5y h PRO 851 CO 0.67 0.27 -0.06 0.93 -0.21 0.00 0.00 178.00 179.60 2q5y h GLU 852 N 0.42 0.07 -0.19 1.05 3.07 -1.94 -2.68 114.58 114.38 2q5y h GLU 852 Ca 0.48 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2q5y h GLU 852 Cb 0.82 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2q5y h GLU 852 CO -0.47 0.04 0.00 0.25 -1.40 0.00 0.00 179.01 177.43 2q5y n THR 853 N -5.35 0.57 -3.58 1.13 -2.24 -1.13 -4.97 114.28 98.71 2q5y n THR 853 Ca 0.09 -0.79 -0.25 0.00 -2.27 0.00 0.00 64.05 60.84 2q5y n THR 853 Cb 0.37 0.80 0.07 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.50 -0.54 3.52 3.38 0.00 -0.25 -1.03 105.19 110.77 2q5y n GLY 854 Ca 0.09 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.24 6.32 -0.29 1.61 0.01 -0.73 -0.51 113.70 116.87 2q5y s SER 855 Ca 0.57 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.40 2q5y s SER 855 Cb -0.26 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2q5y s SER 855 CO 0.70 -0.72 0.31 0.86 0.41 0.00 0.00 173.24 174.80 2q5y s TRP 856 N 2.71 3.23 -0.07 2.43 -0.00 0.27 -0.77 118.94 126.74 2q5y s TRP 856 Ca 0.22 0.21 0.04 0.00 -0.00 0.00 0.00 56.10 56.57 2q5y s TRP 856 Cb -0.14 -2.53 -0.01 0.00 -0.00 0.00 0.00 33.47 30.78 2q5y s TRP 856 CO 0.18 -0.25 -0.21 0.08 -0.00 0.00 0.00 176.95 176.74 2q5y s VAL 857 N 1.95 2.41 -0.03 5.86 1.01 0.40 -0.53 120.40 131.46 2q5y s VAL 857 Ca 0.11 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2q5y s VAL 857 Cb -0.16 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.39 2q5y s VAL 857 CO 0.11 0.57 0.76 0.72 0.00 0.00 0.00 175.10 177.25 2q5y s PHE 858 N -0.15 -0.54 0.09 5.22 -0.12 -0.51 -0.36 117.98 121.61 2q5y s PHE 858 Ca -0.03 0.78 0.00 0.00 -0.05 0.00 0.00 56.93 57.63 2q5y s PHE 858 Cb -0.14 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2q5y s PHE 858 CO 0.04 -0.58 0.24 0.15 -0.05 0.00 0.00 175.22 175.01 2q5y s LYS 859 N -1.83 3.45 0.10 1.99 1.02 0.60 -0.39 119.74 124.68 2q5y s LYS 859 Ca -0.05 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.53 2q5y s LYS 859 Cb -0.00 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2q5y s LYS 859 CO 0.02 0.58 -0.12 0.14 -0.92 0.00 0.00 175.35 175.05 2q5y s VAL 860 N -1.58 1.08 0.11 3.17 -7.23 -0.39 0.10 120.40 115.65 2q5y s VAL 860 Ca 0.35 -1.56 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 2q5y s VAL 860 Cb -0.12 -1.31 -0.18 0.00 0.56 0.00 0.00 36.38 35.32 2q5y s VAL 860 CO 0.28 -0.44 1.28 0.28 -0.31 0.00 0.00 175.10 176.19 2q5y h SER 861 N 3.75 0.79 -0.50 4.85 0.02 -1.87 -2.28 113.55 118.31 2q5y h SER 861 Ca -0.39 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 2q5y h SER 861 Cb 1.19 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2q5y h SER 861 CO 0.49 1.38 0.00 0.00 -1.14 0.00 0.00 176.83 177.56 2q5y n HIS 862 N -3.85 -0.50 0.06 3.45 1.44 -1.26 0.98 115.22 115.53 2q5y n HIS 862 Ca -0.08 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.63 2q5y n HIS 862 Cb 0.81 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.93 2q5y n HIS 862 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72