#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1g s ARG 711 N 0.00 3.39 0.68 3.49 0.52 -1.26 -4.39 118.95 121.37 3n1g s ARG 711 Ca 0.00 1.41 -0.17 0.00 -0.52 0.00 0.00 55.73 56.45 3n1g s ARG 711 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3n1g s ARG 711 CO 0.00 -0.78 1.20 -2.30 0.02 0.00 0.00 175.30 173.44 3n1g n PRO 712 N -1.55 0.85 0.00 3.54 -0.02 -1.26 -4.99 135.00 131.57 3n1g n PRO 712 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3n1g n PRO 712 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3n1g n PRO 712 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3n1g n VAL 713 N -2.22 0.00 -2.26 -1.45 0.24 -1.26 -4.04 118.33 107.33 3n1g n VAL 713 Ca 0.15 0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 62.30 3n1g n VAL 713 Cb 0.49 -1.15 -0.01 0.00 -1.47 0.00 0.00 33.84 31.69 3n1g n VAL 713 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n1g s ALA 714 N -4.03 3.07 0.54 2.33 0.00 -1.26 -1.80 121.76 120.61 3n1g s ALA 714 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 51.96 53.01 3n1g s ALA 714 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.82 3n1g s ALA 714 CO 0.00 -0.61 0.71 0.41 0.00 0.00 0.00 175.76 176.26 3n1g n GLY 715 N 0.54 2.06 3.58 0.00 0.00 -1.25 -4.69 105.19 105.43 3n1g n GLY 715 Ca 0.06 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 3n1g n GLY 715 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n1g s PRO 716 N -4.42 -0.18 -0.13 1.61 0.02 -1.26 -4.85 135.00 125.78 3n1g s PRO 716 Ca 0.54 0.76 0.01 0.00 0.02 0.00 0.00 61.00 62.32 3n1g s PRO 716 Cb -0.04 -1.65 0.02 0.00 0.02 0.00 0.00 34.50 32.85 3n1g s PRO 716 CO 0.34 -3.21 -0.14 -0.47 -0.33 0.00 0.00 177.00 173.19 3n1g s TYR 717 N -2.69 2.04 -0.22 6.54 5.04 -0.40 -4.25 117.35 123.41 3n1g s TYR 717 Ca 0.67 -1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 53.93 3n1g s TYR 717 Cb -0.22 -1.50 0.00 0.00 0.35 0.00 0.00 41.96 40.59 3n1g s TYR 717 CO 0.61 -0.59 1.17 0.42 -1.34 0.00 0.00 175.55 175.82 3n1g s ILE 718 N 1.33 4.42 -0.42 3.14 1.01 -1.26 -1.38 121.20 128.03 3n1g s ILE 718 Ca 0.01 1.70 0.22 0.00 0.00 0.00 0.00 60.65 62.58 3n1g s ILE 718 Cb -0.14 -4.18 -0.20 0.00 0.01 0.00 0.00 42.46 37.96 3n1g s ILE 718 CO -0.07 -0.24 0.81 0.35 0.00 0.00 0.00 174.94 175.79 3n1g n THR 719 N 5.54 0.14 -3.65 2.92 -2.24 -0.23 -4.96 114.28 111.80 3n1g n THR 719 Ca 0.13 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3n1g n THR 719 Cb 0.46 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 3n1g n THR 719 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3n1g s PHE 720 N -3.30 -0.92 -0.00 4.78 5.36 -1.18 -4.98 117.98 117.73 3n1g s PHE 720 Ca -0.00 1.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.89 3n1g s PHE 720 Cb 0.14 0.50 -0.00 0.00 -0.34 0.00 0.00 43.02 43.32 3n1g s PHE 720 CO 0.85 -0.46 -0.02 0.95 -1.46 0.00 0.00 175.22 175.07 3n1g s THR 721 N 1.37 0.16 -0.12 0.12 -4.23 -1.26 -1.46 115.64 110.22 3n1g s THR 721 Ca -0.08 -0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3n1g s THR 721 Cb -0.06 -0.15 0.08 0.00 1.34 0.00 0.00 72.50 73.71 3n1g s THR 721 CO -0.15 0.03 0.74 -0.62 -0.54 0.00 0.00 174.62 174.08 3n1g s ASP 722 N -0.10 -0.64 0.27 3.99 2.15 -0.57 -5.01 116.67 116.75 3n1g s ASP 722 Ca 0.00 0.85 -0.29 0.00 0.43 0.00 0.00 52.55 53.54 3n1g s ASP 722 Cb -0.01 0.73 -0.10 0.00 -0.30 0.00 0.00 42.92 43.24 3n1g s ASP 722 CO -0.00 -0.48 1.31 0.00 -0.17 0.00 0.00 175.17 175.83 3n1g s ALA 723 N -0.77 3.52 -0.22 3.66 0.00 -1.26 -1.03 121.76 125.66 3n1g s ALA 723 Ca -0.07 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.17 3n1g s ALA 723 Cb -0.01 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.42 3n1g s ALA 723 CO 0.06 -0.58 -0.03 1.33 0.00 0.00 0.00 175.76 176.54 3n1g n VAL 724 N 1.70 1.48 -2.12 0.00 0.24 -0.44 -4.86 118.33 114.33 3n1g n VAL 724 Ca 0.03 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 3n1g n VAL 724 Cb 0.42 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 3n1g n VAL 724 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3n1g n ASN 725 N -3.06 0.00 0.00 -1.34 0.23 -1.18 -5.01 115.26 104.90 3n1g n ASN 725 Ca -0.39 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.80 3n1g n ASN 725 Cb 1.06 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 39.42 3n1g n ASN 725 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3n1g n GLU 726 N 0.00 0.24 0.00 -3.83 0.00 -1.26 -1.98 120.64 113.81 3n1g n GLU 726 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.19 3n1g n GLU 726 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 3n1g n GLU 726 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3n1g n THR 727 N -1.37 0.23 -4.00 3.84 -2.24 -1.26 -2.29 114.28 107.19 3n1g n THR 727 Ca 0.11 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 3n1g n THR 727 Cb 0.26 1.15 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3n1g n THR 727 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n1g s THR 728 N -0.23 0.21 -0.04 4.28 2.01 -1.24 -0.60 115.64 120.02 3n1g s THR 728 Ca 0.00 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3n1g s THR 728 Cb 0.00 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.30 3n1g s THR 728 CO 0.00 0.08 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.24 3n1g s ILE 729 N 0.20 1.23 -0.04 1.82 1.01 -0.67 -1.33 121.20 123.42 3n1g s ILE 729 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3n1g s ILE 729 Cb -0.04 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3n1g s ILE 729 CO -0.01 0.36 0.10 -0.32 0.00 0.00 0.00 174.94 175.07 3n1g s MET 730 N 0.19 3.19 0.07 2.79 -2.45 -0.20 -0.06 119.30 122.83 3n1g s MET 730 Ca -0.06 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.03 3n1g s MET 730 Cb -0.12 -2.96 -0.03 0.00 1.25 0.00 0.00 34.83 32.97 3n1g s MET 730 CO 0.02 0.69 -0.07 -0.48 1.05 0.00 0.00 175.02 176.24 3n1g s LEU 731 N -1.47 2.41 0.12 4.11 -0.00 0.56 -1.52 118.68 122.90 3n1g s LEU 731 Ca 0.20 -0.83 0.07 0.00 -0.00 0.00 0.00 54.13 53.58 3n1g s LEU 731 Cb -0.12 -0.07 -0.04 0.00 -0.00 0.00 0.00 46.19 45.96 3n1g s LEU 731 CO 0.10 -0.38 -0.17 -0.54 -0.00 0.00 0.00 176.35 175.36 3n1g s LYS 732 N -2.97 1.09 0.11 1.48 1.02 -0.54 -1.20 119.74 118.73 3n1g s LYS 732 Ca 0.03 -1.21 -0.07 0.00 0.02 0.00 0.00 55.97 54.74 3n1g s LYS 732 Cb -0.00 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 3n1g s LYS 732 CO -0.03 0.25 0.17 1.67 -0.92 0.00 0.00 175.35 176.48 3n1g s TRP 733 N -1.65 0.37 -0.05 3.18 -2.14 -0.31 -1.06 118.94 117.28 3n1g s TRP 733 Ca 0.08 -0.79 0.06 0.00 2.66 0.00 0.00 56.10 58.12 3n1g s TRP 733 Cb -0.08 -0.16 -0.01 0.00 -3.10 0.00 0.00 33.47 30.12 3n1g s TRP 733 CO 0.04 -0.56 -0.24 0.00 -2.66 0.00 0.00 176.95 173.52 3n1g s MET 734 N -3.92 2.42 0.01 3.25 0.23 -0.48 -4.79 119.30 116.02 3n1g s MET 734 Ca 0.11 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.90 3n1g s MET 734 Cb 0.05 -2.15 -0.01 0.00 -1.53 0.00 0.00 34.83 31.19 3n1g s MET 734 CO -0.06 0.45 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.84 3n1g s TYR 735 N -0.34 0.64 -0.68 3.16 5.04 -1.26 -1.27 117.35 122.64 3n1g s TYR 735 Ca 0.02 -0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.34 3n1g s TYR 735 Cb -0.12 -0.40 0.18 0.00 0.35 0.00 0.00 41.96 41.96 3n1g s TYR 735 CO 0.02 -0.02 0.56 0.42 -1.34 0.00 0.00 175.55 175.18 3n1g s ILE 736 N -0.50 4.62 0.78 3.14 1.01 -1.26 -5.10 121.20 123.90 3n1g s ILE 736 Ca -0.01 -2.50 -0.13 0.00 0.00 0.00 0.00 60.65 58.01 3n1g s ILE 736 Cb -0.05 -3.94 0.07 0.00 0.01 0.00 0.00 42.46 38.55 3n1g s ILE 736 CO 0.00 -0.92 1.19 -2.84 0.00 0.00 0.00 174.94 172.37 3n1g s PRO 737 N 0.35 1.85 0.00 2.79 0.02 -1.26 -5.11 135.00 133.64 3n1g s PRO 737 Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.85 3n1g s PRO 737 Cb -0.18 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3n1g s PRO 737 CO -0.05 -2.04 0.00 2.41 -0.33 0.00 0.00 177.00 177.00 3n1g n THR 743 N -3.15 0.00 -2.12 0.99 -1.04 -1.26 -5.01 114.28 102.69 3n1g n THR 743 Ca 0.13 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.82 3n1g n THR 743 Cb 0.51 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.01 3n1g n THR 743 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3n1g s PRO 744 N 0.00 3.61 0.37 -2.82 0.02 -1.26 -5.04 135.00 129.88 3n1g s PRO 744 Ca 0.00 0.98 -0.15 0.00 0.02 0.00 0.00 61.00 61.85 3n1g s PRO 744 Cb 0.00 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 3n1g s PRO 744 CO 0.00 -0.56 0.80 0.96 -0.33 0.00 0.00 177.00 177.87 3n1g s ILE 745 N -2.73 4.63 -0.15 2.83 -4.36 -1.26 -4.75 121.20 115.41 3n1g s ILE 745 Ca 0.59 1.02 0.21 0.00 -0.26 0.00 0.00 60.65 62.21 3n1g s ILE 745 Cb -0.12 -3.64 -0.15 0.00 1.25 0.00 0.00 42.46 39.81 3n1g s ILE 745 CO 0.39 -0.30 0.76 1.41 0.24 0.00 0.00 174.94 177.44 3n1g n HIS 746 N -0.67 0.63 -3.77 1.37 8.25 0.13 -4.77 115.22 116.40 3n1g n HIS 746 Ca 0.04 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3n1g n HIS 746 Cb 0.53 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.78 3n1g n HIS 746 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n1g n GLY 747 N 1.30 -0.92 3.33 -1.41 0.00 -1.20 -3.70 105.19 102.59 3n1g n GLY 747 Ca -0.06 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3n1g n GLY 747 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1g s PHE 748 N -3.00 1.91 -0.13 1.61 0.40 0.38 -1.55 117.98 117.60 3n1g s PHE 748 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3n1g s PHE 748 Cb 0.00 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 3n1g s PHE 748 CO 0.00 0.31 -0.10 0.71 0.70 0.00 0.00 175.22 176.84 3n1g s TYR 749 N -1.61 2.88 -0.26 0.36 4.12 0.03 -1.58 117.35 121.29 3n1g s TYR 749 Ca 0.13 -0.49 -0.05 0.00 0.02 0.00 0.00 57.07 56.68 3n1g s TYR 749 Cb -0.08 -1.86 0.01 0.00 -1.52 0.00 0.00 41.96 38.50 3n1g s TYR 749 CO 0.06 -0.12 0.02 0.42 0.02 0.00 0.00 175.55 175.95 3n1g s ILE 750 N 0.26 3.60 -0.05 2.71 1.09 0.36 -1.39 121.20 127.78 3n1g s ILE 750 Ca -0.07 -0.70 -0.06 0.00 -1.10 0.00 0.00 60.65 58.72 3n1g s ILE 750 Cb -0.15 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.42 3n1g s ILE 750 CO 0.05 0.20 0.20 -0.31 -0.10 0.00 0.00 174.94 174.97 3n1g s TYR 751 N 1.46 3.59 -0.13 3.97 2.02 0.10 -0.40 117.35 127.96 3n1g s TYR 751 Ca 0.03 0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 57.08 3n1g s TYR 751 Cb -0.16 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.50 3n1g s TYR 751 CO -0.00 0.67 0.43 1.52 -1.57 0.00 0.00 175.55 176.60 3n1g s TYR 752 N -1.19 -0.43 -0.13 2.71 -0.85 -0.32 -1.81 117.35 115.34 3n1g s TYR 752 Ca 0.22 0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 57.63 3n1g s TYR 752 Cb -0.13 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.42 3n1g s TYR 752 CO 0.12 -0.29 0.37 0.50 -1.52 0.00 0.00 175.55 174.73 3n1g s ARG 753 N -0.18 0.46 0.23 -3.49 3.52 -0.74 -0.56 118.95 118.19 3n1g s ARG 753 Ca -0.04 0.44 -0.32 0.00 -0.13 0.00 0.00 55.73 55.69 3n1g s ARG 753 Cb -0.03 0.22 -0.13 0.00 -1.56 0.00 0.00 34.95 33.45 3n1g s ARG 753 CO 0.02 -0.07 1.54 -2.30 -0.81 0.00 0.00 175.30 173.69 3n1g n PRO 754 N 2.70 2.34 -0.01 5.12 -0.02 -1.26 0.04 135.00 143.91 3n1g n PRO 754 Ca -0.14 0.84 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 3n1g n PRO 754 Cb 0.57 -2.58 0.66 0.00 -0.02 0.00 0.00 33.50 32.13 3n1g n PRO 754 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n1g h THR 755 N 3.37 0.76 0.00 3.45 2.02 -1.28 0.18 112.91 121.41 3n1g h THR 755 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3n1g h THR 755 Cb 1.25 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3n1g h THR 755 CO 0.83 0.01 0.00 0.44 0.37 0.00 0.00 175.52 177.17 3n1g h ASP 756 N 0.07 0.00 -3.05 4.18 3.32 -1.89 -3.41 116.42 115.63 3n1g h ASP 756 Ca 0.26 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.68 3n1g h ASP 756 Cb 0.92 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.38 3n1g h ASP 756 CO -0.02 0.00 -0.43 -0.55 -1.72 0.00 0.00 179.24 176.52 3n1g s SER 757 N -4.26 6.36 -0.05 6.45 0.15 0.05 -4.95 113.70 117.44 3n1g s SER 757 Ca -0.02 0.42 0.15 0.00 0.70 0.00 0.00 55.95 57.19 3n1g s SER 757 Cb 0.08 -2.11 0.46 0.00 -1.71 0.00 0.00 66.02 62.73 3n1g s SER 757 CO 0.25 0.25 1.38 0.47 1.20 0.00 0.00 173.24 176.79 3n1g n ASP 758 N 2.91 3.53 -4.59 5.45 10.43 -1.26 -4.89 116.55 128.12 3n1g n ASP 758 Ca -0.16 -2.24 -0.40 0.00 2.57 0.00 0.00 54.79 54.55 3n1g n ASP 758 Cb 0.53 -0.38 -0.08 0.00 1.84 0.00 0.00 41.12 43.04 3n1g n ASP 758 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3n1g s ASN 759 N -1.14 6.37 0.40 -2.24 0.02 -1.26 -4.95 114.94 112.14 3n1g s ASN 759 Ca 0.34 0.28 0.28 0.00 -1.02 0.00 0.00 52.86 52.74 3n1g s ASN 759 Cb 0.21 -2.27 1.39 0.00 0.02 0.00 0.00 41.25 40.60 3n1g s ASN 759 CO 0.19 -0.36 1.86 0.44 0.02 0.00 0.00 177.10 179.24 3n1g h ASP 760 N 8.22 0.00 0.66 -1.22 3.32 -2.01 -0.68 116.42 124.71 3n1g h ASP 760 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3n1g h ASP 760 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3n1g h ASP 760 CO 0.73 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 177.05 3n1g n SER 761 N -2.53 0.10 -0.52 6.45 7.64 -1.26 -2.91 113.62 120.60 3n1g n SER 761 Ca -0.00 0.52 0.13 0.00 1.01 0.00 0.00 58.87 60.53 3n1g n SER 761 Cb 0.14 -0.54 0.41 0.00 -1.01 0.00 0.00 64.21 63.21 3n1g n SER 761 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n1g n ASP 762 N -1.61 1.69 -4.72 6.43 8.00 -0.26 -4.89 116.55 121.19 3n1g n ASP 762 Ca 0.04 -1.49 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 3n1g n ASP 762 Cb 0.22 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3n1g n ASP 762 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n1g s TYR 763 N -2.09 3.34 0.49 1.24 1.51 -1.14 -4.60 117.35 116.09 3n1g s TYR 763 Ca 0.34 1.20 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 3n1g s TYR 763 Cb 0.20 -3.54 0.02 0.00 -0.11 0.00 0.00 41.96 38.53 3n1g s TYR 763 CO 0.37 -1.72 0.71 0.15 -1.11 0.00 0.00 175.55 173.94 3n1g s LYS 764 N 0.56 2.79 -0.03 -0.62 1.02 0.27 -4.86 119.74 118.88 3n1g s LYS 764 Ca 0.59 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 3n1g s LYS 764 Cb -0.34 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3n1g s LYS 764 CO 0.33 -0.48 0.06 0.21 -0.92 0.00 0.00 175.35 174.55 3n1g s LYS 765 N -4.63 0.02 -0.02 1.68 2.20 -1.26 -1.17 119.74 116.56 3n1g s LYS 765 Ca 0.53 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 3n1g s LYS 765 Cb -0.10 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.05 3n1g s LYS 765 CO 0.38 -0.11 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.71 3n1g s ASP 766 N 0.72 4.90 -0.19 1.43 1.01 0.47 -4.93 116.67 120.09 3n1g s ASP 766 Ca -0.06 -0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.09 3n1g s ASP 766 Cb -0.08 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.57 3n1g s ASP 766 CO -0.03 0.30 0.07 -0.32 0.21 0.00 0.00 175.17 175.41 3n1g s MET 767 N -1.34 3.98 0.13 8.23 1.75 -1.26 -0.49 119.30 130.29 3n1g s MET 767 Ca 0.17 -0.34 0.08 0.00 -1.25 0.00 0.00 55.69 54.35 3n1g s MET 767 Cb -0.11 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3n1g s MET 767 CO 0.07 0.25 -0.19 0.14 -0.65 0.00 0.00 175.02 174.64 3n1g s VAL 768 N 0.45 1.72 0.88 10.11 -7.23 -0.61 -4.99 120.40 120.73 3n1g s VAL 768 Ca 0.04 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 3n1g s VAL 768 Cb -0.12 -1.66 0.12 0.00 0.56 0.00 0.00 36.38 35.28 3n1g s VAL 768 CO 0.00 -0.18 1.12 -1.61 -0.31 0.00 0.00 175.10 174.13 3n1g s GLU 769 N -2.28 1.31 0.00 4.82 0.41 -1.26 -0.47 118.70 121.23 3n1g s GLU 769 Ca 0.10 1.39 0.18 0.00 -0.41 0.00 0.00 54.97 56.23 3n1g s GLU 769 Cb -0.08 -1.77 0.93 0.00 -1.78 0.00 0.00 34.13 31.43 3n1g s GLU 769 CO 0.05 -2.37 1.52 0.41 -0.49 0.00 0.00 175.26 174.38 3n1g n GLY 770 N -0.23 -0.80 0.35 -1.39 0.00 -1.24 -2.64 105.19 99.24 3n1g n GLY 770 Ca 0.11 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3n1g n GLY 770 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3n1g n ASP 771 N -1.22 1.61 -4.86 1.61 5.75 -1.26 -4.93 116.55 113.24 3n1g n ASP 771 Ca 0.10 -1.26 -0.31 0.00 -0.01 0.00 0.00 54.79 53.31 3n1g n ASP 771 Cb 0.12 0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 3n1g n ASP 771 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3n1g s LYS 772 N -2.58 3.82 0.00 0.11 -0.14 -1.08 -4.99 119.74 114.88 3n1g s LYS 772 Ca 0.18 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.43 3n1g s LYS 772 Cb 0.18 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 3n1g s LYS 772 CO 0.61 -0.15 0.53 2.48 -0.76 0.00 0.00 175.35 178.06 3n1g n TYR 773 N -1.50 0.00 -3.59 3.18 0.18 -1.26 -5.01 117.16 109.16 3n1g n TYR 773 Ca 0.04 -0.10 -0.11 0.00 1.88 0.00 0.00 57.90 59.61 3n1g n TYR 773 Cb 0.54 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.45 3n1g n TYR 773 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3n1g s TRP 774 N -0.20 -0.27 0.03 -3.48 1.48 -1.26 -1.16 118.94 114.08 3n1g s TRP 774 Ca 0.00 -0.02 -0.27 0.00 -1.06 0.00 0.00 56.10 54.74 3n1g s TRP 774 Cb 0.00 0.34 0.09 0.00 -1.16 0.00 0.00 33.47 32.74 3n1g s TRP 774 CO 0.00 -0.75 0.81 -1.58 -4.06 0.00 0.00 176.95 171.37 3n1g s HIS 775 N -3.80 -0.41 -0.08 1.66 2.46 -0.34 -5.00 115.29 109.79 3n1g s HIS 775 Ca 0.03 0.28 0.03 0.00 0.47 0.00 0.00 55.06 55.87 3n1g s HIS 775 Cb 0.01 0.54 0.01 0.00 -0.13 0.00 0.00 32.58 33.00 3n1g s HIS 775 CO -0.11 -0.62 -0.18 -1.12 -2.47 0.00 0.00 174.74 170.24 3n1g s SER 776 N -2.47 2.38 -0.08 9.88 0.01 -1.26 -0.32 113.70 121.85 3n1g s SER 776 Ca 0.03 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 3n1g s SER 776 Cb -0.01 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.13 3n1g s SER 776 CO -0.09 0.10 0.60 -0.63 0.41 0.00 0.00 173.24 173.63 3n1g s ILE 777 N 0.46 5.08 0.47 1.44 1.01 0.91 -4.92 121.20 125.65 3n1g s ILE 777 Ca -0.15 1.24 0.04 0.00 0.00 0.00 0.00 60.65 61.77 3n1g s ILE 777 Cb -0.16 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3n1g s ILE 777 CO 0.06 0.30 0.06 -0.44 0.00 0.00 0.00 174.94 174.92 3n1g s SER 778 N 0.60 4.13 -1.41 3.58 0.01 -1.26 -1.66 113.70 117.69 3n1g s SER 778 Ca 0.32 -1.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.03 3n1g s SER 778 Cb -0.17 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.21 3n1g s SER 778 CO 0.15 -0.71 1.02 1.41 0.41 0.00 0.00 173.24 175.52 3n1g n HIS 779 N -1.21 -2.45 -2.65 2.43 8.25 -0.81 -4.94 115.22 113.83 3n1g n HIS 779 Ca -0.11 0.94 -0.22 0.00 -0.26 0.00 0.00 57.72 58.07 3n1g n HIS 779 Cb 0.66 -4.53 0.08 0.00 1.12 0.00 0.00 29.99 27.32 3n1g n HIS 779 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n1g s LEU 780 N -7.12 3.10 -0.00 2.41 1.43 0.23 -5.05 118.68 113.67 3n1g s LEU 780 Ca 0.48 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 3n1g s LEU 780 Cb -0.23 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3n1g s LEU 780 CO 0.78 -1.55 0.27 -1.10 0.23 0.00 0.00 176.35 174.98 3n1g s GLN 781 N -4.95 3.59 0.59 1.70 -1.52 -1.26 -4.45 119.66 113.36 3n1g s GLN 781 Ca 0.63 -0.05 -0.20 0.00 -1.95 0.00 0.00 55.36 53.79 3n1g s GLN 781 Cb -0.07 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.59 3n1g s GLN 781 CO 0.42 0.66 1.34 -2.14 -0.25 0.00 0.00 175.29 175.32 3n1g s PRO 782 N -1.65 2.85 -1.43 2.91 0.02 -0.97 -3.20 135.00 133.53 3n1g s PRO 782 Ca 0.26 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 3n1g s PRO 782 Cb -0.13 -2.07 0.07 0.00 0.02 0.00 0.00 34.50 32.39 3n1g s PRO 782 CO 0.15 -1.40 0.69 -1.91 -0.33 0.00 0.00 177.00 174.20 3n1g n GLU 783 N -1.44 -4.30 -5.17 5.54 2.13 -0.14 -4.88 120.64 112.39 3n1g n GLU 783 Ca 0.13 0.57 -0.30 0.00 0.66 0.00 0.00 57.16 58.22 3n1g n GLU 783 Cb 0.46 -5.37 -0.16 0.00 0.27 0.00 0.00 31.44 26.64 3n1g n GLU 783 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3n1g s THR 784 N -3.11 1.89 0.15 6.31 2.01 -1.19 -4.89 115.64 116.82 3n1g s THR 784 Ca 0.50 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 3n1g s THR 784 Cb -0.25 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.58 3n1g s THR 784 CO 0.61 0.53 0.80 -0.55 -0.69 0.00 0.00 174.62 175.32 3n1g s SER 785 N -0.21 7.40 0.03 3.53 0.15 -1.26 -1.40 113.70 121.94 3n1g s SER 785 Ca -0.01 1.65 0.07 0.00 0.70 0.00 0.00 55.95 58.37 3n1g s SER 785 Cb -0.12 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 3n1g s SER 785 CO 0.02 0.16 -0.20 -0.31 1.20 0.00 0.00 173.24 174.11 3n1g s TYR 786 N -0.90 1.79 -0.09 3.44 1.51 0.77 -0.84 117.35 123.03 3n1g s TYR 786 Ca 0.37 -0.37 -0.19 0.00 -1.01 0.00 0.00 57.07 55.88 3n1g s TYR 786 Cb -0.23 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 3n1g s TYR 786 CO 0.27 0.07 0.52 -0.51 -1.11 0.00 0.00 175.55 174.78 3n1g s ASP 787 N -1.05 6.77 -0.06 2.29 1.01 0.11 -1.18 116.67 124.56 3n1g s ASP 787 Ca 0.07 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.26 3n1g s ASP 787 Cb -0.09 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.56 3n1g s ASP 787 CO 0.01 0.02 -0.05 -0.63 0.21 0.00 0.00 175.17 174.74 3n1g s ILE 788 N 0.42 0.63 0.19 0.77 1.01 0.77 -1.79 121.20 123.21 3n1g s ILE 788 Ca 0.28 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 3n1g s ILE 788 Cb -0.16 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3n1g s ILE 788 CO 0.12 0.27 0.31 -1.59 0.00 0.00 0.00 174.94 174.05 3n1g s LYS 789 N 1.23 1.26 0.23 2.79 -2.85 -0.75 -0.56 119.74 121.09 3n1g s LYS 789 Ca -0.06 -1.26 -0.11 0.00 -1.00 0.00 0.00 55.97 53.54 3n1g s LYS 789 Cb -0.14 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 3n1g s LYS 789 CO -0.02 -0.47 0.41 0.00 0.10 0.00 0.00 175.35 175.37 3n1g s MET 790 N -4.01 1.45 0.21 1.78 0.23 -1.26 0.01 119.30 117.72 3n1g s MET 790 Ca 0.22 -1.27 -0.08 0.00 -1.03 0.00 0.00 55.69 53.52 3n1g s MET 790 Cb 0.03 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.75 3n1g s MET 790 CO 0.04 -0.58 0.33 1.14 -2.03 0.00 0.00 175.02 173.92 3n1g s GLN 791 N -4.02 1.35 0.41 3.16 -2.07 -0.49 -0.44 119.66 117.57 3n1g s GLN 791 Ca 0.23 -1.34 0.08 0.00 -1.82 0.00 0.00 55.36 52.51 3n1g s GLN 791 Cb 0.01 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 3n1g s GLN 791 CO 0.08 -0.52 0.38 0.00 -1.32 0.00 0.00 175.29 173.91 3n1g s PHE 793 N -2.46 -0.02 0.00 0.00 -0.12 -0.60 -1.22 117.98 113.55 3n1g s PHE 793 Ca 0.48 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 3n1g s PHE 793 Cb -0.03 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 3n1g s PHE 793 CO 0.28 -0.89 0.00 0.27 -0.05 0.00 0.00 175.22 174.83 3n1g n ASN 794 N -0.32 0.00 -0.30 1.98 0.23 -0.46 0.23 115.26 116.62 3n1g n ASN 794 Ca -0.09 -0.07 0.01 0.00 -0.53 0.00 0.00 54.58 53.90 3n1g n ASN 794 Cb 0.62 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.53 3n1g n ASN 794 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3n1g h GLU 795 N 0.00 1.09 -0.14 -3.83 4.81 -1.92 -2.84 114.58 111.75 3n1g h GLU 795 Ca 0.00 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3n1g h GLU 795 Cb 0.00 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3n1g h GLU 795 CO 0.00 0.72 -0.54 0.78 -0.73 0.00 0.00 179.01 179.24 3n1g h GLY 796 N 1.12 0.46 0.00 1.92 0.00 -1.97 -3.48 103.07 101.13 3n1g h GLY 796 Ca 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3n1g h GLY 796 CO -0.10 0.48 0.00 0.61 0.00 0.00 0.00 176.54 177.53 3n1g n GLY 797 N 0.19 0.06 3.72 4.60 0.00 -1.07 -4.54 105.19 108.14 3n1g n GLY 797 Ca -0.03 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 3n1g n GLY 797 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n1g s GLU 798 N -2.00 2.72 1.06 1.61 8.01 -1.26 -1.35 118.70 127.48 3n1g s GLU 798 Ca 0.00 -0.74 -0.16 0.00 0.01 0.00 0.00 54.97 54.08 3n1g s GLU 798 Cb 0.00 -2.64 0.22 0.00 -4.31 0.00 0.00 34.13 27.41 3n1g s GLU 798 CO 0.00 0.57 1.17 -1.54 0.01 0.00 0.00 175.26 175.47 3n1g s SER 799 N -2.17 2.21 0.81 -0.19 1.04 -0.36 -4.52 113.70 110.52 3n1g s SER 799 Ca 0.26 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.21 3n1g s SER 799 Cb -0.12 -0.96 0.08 0.00 0.10 0.00 0.00 66.02 65.13 3n1g s SER 799 CO 0.18 -3.33 1.20 -1.61 0.98 0.00 0.00 173.24 170.66 3n1g s GLU 800 N -5.47 1.64 0.63 4.02 2.02 -0.75 -4.80 118.70 116.00 3n1g s GLU 800 Ca 0.70 1.73 -0.16 0.00 0.02 0.00 0.00 54.97 57.26 3n1g s GLU 800 Cb -0.10 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 3n1g s GLU 800 CO 0.55 -2.21 1.12 -0.06 0.02 0.00 0.00 175.26 174.68 3n1g s PHE 801 N -2.18 2.63 0.90 1.61 0.40 -1.26 -3.92 117.98 116.16 3n1g s PHE 801 Ca 0.73 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 58.45 3n1g s PHE 801 Cb -0.28 -3.20 0.22 0.00 0.51 0.00 0.00 43.02 40.27 3n1g s PHE 801 CO 0.51 -1.67 0.91 -1.13 0.70 0.00 0.00 175.22 174.54 3n1g n SER 802 N -2.13 -1.30 -4.55 1.36 3.41 0.42 -4.71 113.62 106.13 3n1g n SER 802 Ca 0.11 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.27 3n1g n SER 802 Cb 0.52 -0.79 0.14 0.00 -0.26 0.00 0.00 64.21 63.82 3n1g n SER 802 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3n1g n ASN 803 N -4.23 -0.76 -4.25 4.04 6.94 -1.26 -4.75 115.26 111.00 3n1g n ASN 803 Ca 0.12 0.39 -0.34 0.00 -0.02 0.00 0.00 54.58 54.73 3n1g n ASN 803 Cb 0.46 -1.35 -0.15 0.00 -2.36 0.00 0.00 39.78 36.38 3n1g n ASN 803 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n1g s VAL 804 N -2.50 2.92 0.10 3.53 1.01 -1.26 -4.55 120.40 119.66 3n1g s VAL 804 Ca 0.63 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3n1g s VAL 804 Cb -0.23 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3n1g s VAL 804 CO 0.62 0.46 0.28 -0.04 0.00 0.00 0.00 175.10 176.42 3n1g s MET 805 N 1.39 3.50 -0.09 2.72 -1.94 0.28 -4.89 119.30 120.26 3n1g s MET 805 Ca 0.05 -0.35 0.04 0.00 -1.71 0.00 0.00 55.69 53.72 3n1g s MET 805 Cb -0.14 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.74 3n1g s MET 805 CO -0.06 0.54 -0.22 0.42 -0.01 0.00 0.00 175.02 175.69 3n1g s ILE 806 N -1.61 2.24 -0.15 2.53 1.01 -1.26 -0.16 121.20 123.80 3n1g s ILE 806 Ca 0.37 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3n1g s ILE 806 Cb -0.12 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.53 3n1g s ILE 806 CO 0.27 0.56 0.41 0.00 0.00 0.00 0.00 174.94 176.18 3n1g s GLU 808 N 0.33 3.00 0.90 0.00 2.12 -1.26 -0.16 118.70 123.63 3n1g s GLU 808 Ca -0.01 -0.40 -0.12 0.00 0.36 0.00 0.00 54.97 54.80 3n1g s GLU 808 Cb -0.03 -2.82 0.13 0.00 0.26 0.00 0.00 34.13 31.67 3n1g s GLU 808 CO -0.01 0.70 1.09 0.95 -0.54 0.00 0.00 175.26 177.46 3n1g s THR 809 N -0.92 2.61 0.75 -1.70 -4.23 -0.49 -4.22 115.64 107.44 3n1g s THR 809 Ca 0.14 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 3n1g s THR 809 Cb -0.11 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.07 3n1g s THR 809 CO 0.03 -0.26 1.08 -0.54 -0.54 0.00 0.00 174.62 174.39 3n1g s LYS 810 N -4.95 2.46 0.53 3.99 1.02 -0.84 -3.57 119.74 118.38 3n1g s LYS 810 Ca 0.63 1.07 -0.19 0.00 0.02 0.00 0.00 55.97 57.50 3n1g s LYS 810 Cb -0.18 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3n1g s LYS 810 CO 0.57 -1.47 1.06 0.00 -0.92 0.00 0.00 175.35 174.59 3n1g s ALA 811 N -2.96 2.80 0.59 5.17 0.00 -1.26 -0.97 121.76 125.13 3n1g s ALA 811 Ca 0.60 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 3n1g s ALA 811 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3n1g s ALA 811 CO 0.56 -0.53 1.18 0.50 0.00 0.00 0.00 175.76 177.47 3n1g s ARG 812 N -3.49 3.02 0.00 0.00 3.52 -1.26 -4.76 118.95 115.97 3n1g s ARG 812 Ca 0.67 1.75 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 3n1g s ARG 812 Cb -0.17 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 3n1g s ARG 812 CO 0.26 -1.15 0.47 1.63 -0.81 0.00 0.00 175.30 175.70