#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs0 n GLY 716 N 0.00 2.89 2.42 6.12 0.00 -1.26 -4.89 105.19 110.48 3hs0 n GLY 716 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3hs0 n GLY 716 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hs0 n PHE 717 N -1.83 -3.67 -3.77 1.61 3.72 -1.26 -0.09 117.46 112.18 3hs0 n PHE 717 Ca 0.00 -0.87 -0.35 0.00 -0.05 0.00 0.00 57.45 56.18 3hs0 n PHE 717 Cb 0.00 -0.57 -0.08 0.00 -0.94 0.00 0.00 39.48 37.89 3hs0 n PHE 717 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hs0 s ILE 718 N -2.46 5.34 0.25 4.37 -1.09 -1.26 -4.88 121.20 121.47 3hs0 s ILE 718 Ca 0.45 0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.73 3hs0 s ILE 718 Cb -0.02 -3.43 -0.13 0.00 -1.58 0.00 0.00 42.46 37.30 3hs0 s ILE 718 CO 0.31 0.45 1.44 0.00 -1.23 0.00 0.00 174.94 175.91 3hs0 n ALA 719 N 3.43 1.36 -0.35 9.38 0.00 -1.26 -4.87 120.51 128.19 3hs0 n ALA 719 Ca -0.16 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.82 3hs0 n ALA 719 Cb 0.52 -2.31 0.34 0.00 0.00 0.00 0.00 19.45 18.01 3hs0 n ALA 719 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3hs0 h ASP 720 N 4.28 0.75 0.65 0.00 3.58 -1.97 -1.40 116.42 122.32 3hs0 h ASP 720 Ca -0.45 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.10 3hs0 h ASP 720 Cb 1.27 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3hs0 h ASP 720 CO 0.76 0.23 0.00 -1.54 -2.88 0.00 0.00 179.24 175.81 3hs0 n SER 721 N -4.78 0.00 0.02 2.28 3.41 -1.26 -2.35 113.62 110.93 3hs0 n SER 721 Ca 0.24 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 3hs0 n SER 721 Cb 0.62 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3hs0 n SER 721 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hs0 n ASP 722 N -1.39 0.64 -4.59 4.04 8.00 -0.53 -4.76 116.55 117.95 3hs0 n ASP 722 Ca 0.09 -0.37 -0.43 0.00 0.71 0.00 0.00 54.79 54.79 3hs0 n ASP 722 Cb 0.24 0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 42.19 3hs0 n ASP 722 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hs0 s ILE 723 N -3.16 4.47 -0.51 0.53 1.01 -0.99 -5.01 121.20 117.54 3hs0 s ILE 723 Ca 0.04 1.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 3hs0 s ILE 723 Cb 0.15 -4.43 0.13 0.00 0.01 0.00 0.00 42.46 38.32 3hs0 s ILE 723 CO 0.81 -0.72 0.41 -0.63 0.00 0.00 0.00 174.94 174.81 3hs0 s ILE 724 N 3.78 4.58 0.21 2.92 -1.09 -1.26 -4.93 121.20 125.40 3hs0 s ILE 724 Ca 0.40 -1.72 -0.32 0.00 -2.23 0.00 0.00 60.65 56.78 3hs0 s ILE 724 Cb -0.10 -3.98 -0.14 0.00 -1.58 0.00 0.00 42.46 36.66 3hs0 s ILE 724 CO 0.23 -0.82 1.45 -1.20 -1.23 0.00 0.00 174.94 173.38 3hs0 n SER 725 N 4.99 2.81 -4.78 3.58 7.64 -1.26 -4.61 113.62 121.98 3hs0 n SER 725 Ca -0.09 1.12 -0.37 0.00 1.01 0.00 0.00 58.87 60.54 3hs0 n SER 725 Cb 0.41 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 3hs0 n SER 725 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hs0 s ARG 726 N 0.01 4.11 0.00 1.43 0.52 0.67 -4.80 118.95 120.90 3hs0 s ARG 726 Ca 0.72 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 3hs0 s ARG 726 Cb -0.67 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3hs0 s ARG 726 CO 0.46 -0.21 0.00 -1.13 0.02 0.00 0.00 175.30 174.44 3hs0 n SER 727 N -0.03 0.00 -4.43 0.23 3.41 -1.26 -1.59 113.62 109.94 3hs0 n SER 727 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.22 3hs0 n SER 727 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3hs0 n SER 727 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hs0 s ASP 728 N 0.00 6.44 -0.59 4.04 2.15 -1.26 -4.93 116.67 122.51 3hs0 s ASP 728 Ca 0.00 -1.69 0.05 0.00 0.43 0.00 0.00 52.55 51.35 3hs0 s ASP 728 Cb 0.00 -2.38 0.31 0.00 -0.30 0.00 0.00 42.92 40.55 3hs0 s ASP 728 CO 0.00 -1.16 0.88 0.49 -0.17 0.00 0.00 175.17 175.21 3hs0 n PHE 729 N 6.73 3.84 -2.17 -5.34 3.72 -1.26 -1.81 117.46 121.16 3hs0 n PHE 729 Ca 0.11 -4.04 -0.40 0.00 -0.05 0.00 0.00 57.45 53.06 3hs0 n PHE 729 Cb 0.47 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 3hs0 n PHE 729 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3hs0 s PRO 730 N -3.14 4.36 0.36 -1.08 0.02 -1.26 -4.91 135.00 129.35 3hs0 s PRO 730 Ca 0.46 2.14 0.18 0.00 0.02 0.00 0.00 61.00 63.80 3hs0 s PRO 730 Cb 0.24 -3.05 0.59 0.00 0.02 0.00 0.00 34.50 32.30 3hs0 s PRO 730 CO -0.10 -0.16 1.69 0.87 -0.33 0.00 0.00 177.00 178.98 3hs0 h LYS 731 N 3.37 0.00 -2.81 5.54 1.57 -2.05 -3.46 116.57 118.73 3hs0 h LYS 731 Ca -0.49 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 3hs0 h LYS 731 Cb 1.23 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.37 3hs0 h LYS 731 CO 0.65 0.40 -0.02 -1.54 -0.57 0.00 0.00 179.45 178.38 3hs0 s SER 732 N -6.45 -0.39 0.00 0.86 1.04 -1.26 -5.13 113.70 102.37 3hs0 s SER 732 Ca 0.00 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3hs0 s SER 732 Cb 0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3hs0 s SER 732 CO 0.70 -0.67 0.00 -2.67 0.98 0.00 0.00 173.24 171.57 3hs0 n TRP 733 N 0.55 -0.52 -3.97 5.02 4.27 -1.26 -4.99 117.44 116.53 3hs0 n TRP 733 Ca -0.19 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.10 3hs0 n TRP 733 Cb 0.60 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 3hs0 n TRP 733 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3hs0 n LEU 734 N 0.00 -2.12 -4.19 5.67 7.94 -1.26 -4.85 117.00 118.19 3hs0 n LEU 734 Ca 0.00 -0.82 -0.41 0.00 -1.11 0.00 0.00 56.01 53.67 3hs0 n LEU 734 Cb 0.00 -2.34 -0.01 0.00 0.53 0.00 0.00 43.42 41.60 3hs0 n LEU 734 CO 0.00 0.37 2.21 1.87 -1.11 0.00 0.00 177.39 180.73 3hs0 n TRP 735 N -4.50 3.87 -4.34 1.96 -0.00 -1.26 -4.91 117.44 108.26 3hs0 n TRP 735 Ca 0.05 -2.69 -0.20 0.00 -0.00 0.00 0.00 57.50 54.67 3hs0 n TRP 735 Cb 0.51 -2.54 -0.11 0.00 -0.00 0.00 0.00 31.31 29.18 3hs0 n TRP 735 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3hs0 s LEU 736 N 3.86 2.50 -0.13 5.87 1.43 -1.26 -5.14 118.68 125.81 3hs0 s LEU 736 Ca 0.53 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3hs0 s LEU 736 Cb 0.08 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 3hs0 s LEU 736 CO 0.03 -0.11 -0.16 -0.89 0.23 0.00 0.00 176.35 175.45 3hs0 s THR 737 N -2.54 2.79 0.06 5.49 2.01 -1.26 -5.12 115.64 117.07 3hs0 s THR 737 Ca 0.19 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.51 3hs0 s THR 737 Cb -0.03 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 3hs0 s THR 737 CO 0.07 0.53 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.81 3hs0 s LYS 738 N 0.42 2.00 -0.11 4.92 -0.14 -1.26 -5.13 119.74 120.45 3hs0 s LYS 738 Ca -0.12 -1.03 -0.03 0.00 -1.36 0.00 0.00 55.97 53.43 3hs0 s LYS 738 Cb -0.16 -2.17 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 3hs0 s LYS 738 CO 0.06 0.52 -0.00 -0.51 -0.76 0.00 0.00 175.35 174.66 3hs0 s ASP 739 N -1.63 5.17 -1.24 2.83 1.01 -1.26 -5.04 116.67 116.51 3hs0 s ASP 739 Ca 0.16 0.08 -0.13 0.00 0.71 0.00 0.00 52.55 53.36 3hs0 s ASP 739 Cb -0.11 -1.58 0.16 0.00 1.01 0.00 0.00 42.92 42.41 3hs0 s ASP 739 CO 0.07 0.31 1.56 0.18 0.21 0.00 0.00 175.17 177.50 3hs0 n LEU 740 N 2.57 5.47 0.03 1.23 4.77 -1.26 -4.73 117.00 125.07 3hs0 n LEU 740 Ca -0.18 -4.43 -0.18 0.00 -0.03 0.00 0.00 56.01 51.19 3hs0 n LEU 740 Cb 0.53 -1.61 -0.14 0.00 -2.33 0.00 0.00 43.42 39.87 3hs0 n LEU 740 CO 0.30 0.78 -0.58 0.71 -1.33 0.00 0.00 177.39 177.28 3hs0 h THR 741 N 4.58 0.87 -2.71 -5.08 1.35 -1.95 -3.48 112.91 106.48 3hs0 h THR 741 Ca 0.35 -2.57 -0.57 0.00 -0.55 0.00 0.00 66.41 63.08 3hs0 h THR 741 Cb 0.82 2.61 0.20 0.00 -1.73 0.00 0.00 68.15 70.05 3hs0 h THR 741 CO 1.35 0.80 -0.87 -0.62 -0.25 0.00 0.00 175.52 175.93 3hs0 n GLU 742 N -3.41 0.13 -2.02 4.72 1.02 -1.26 -4.84 120.64 114.98 3hs0 n GLU 742 Ca -0.23 0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 56.58 3hs0 n GLU 742 Cb 1.05 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.99 3hs0 n GLU 742 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hs0 s GLU 743 N -2.25 3.96 1.27 3.49 0.41 -1.26 -4.77 118.70 119.55 3hs0 s GLU 743 Ca 0.58 2.20 -0.17 0.00 -0.41 0.00 0.00 54.97 57.17 3hs0 s GLU 743 Cb -0.34 -2.77 0.31 0.00 -1.78 0.00 0.00 34.13 29.55 3hs0 s GLU 743 CO 0.65 -0.51 1.00 -2.14 -0.49 0.00 0.00 175.26 173.77 3hs0 s PRO 744 N -2.23 -1.71 0.00 0.39 0.02 -1.26 -4.55 135.00 125.65 3hs0 s PRO 744 Ca 0.57 0.45 0.00 0.00 0.02 0.00 0.00 61.00 62.03 3hs0 s PRO 744 Cb -0.39 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3hs0 s PRO 744 CO 0.50 -4.15 0.00 0.27 -0.33 0.00 0.00 177.00 173.29 3hs0 n ASN 745 N -5.16 1.62 0.27 2.53 0.23 -1.20 -4.88 115.26 108.66 3hs0 n ASN 745 Ca 0.07 -0.38 0.16 0.00 -0.53 0.00 0.00 54.58 53.90 3hs0 n ASN 745 Cb 0.57 0.00 0.87 0.00 -2.08 0.00 0.00 39.78 39.14 3hs0 n ASN 745 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3hs0 h SER 746 N 0.00 0.00 -0.07 0.53 4.64 -1.98 -1.32 113.55 115.34 3hs0 h SER 746 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hs0 h SER 746 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hs0 h SER 746 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hs0 n GLN 747 N -2.69 2.41 -2.16 4.77 6.02 -1.26 -4.98 117.38 119.49 3hs0 n GLN 747 Ca -0.02 -2.06 -0.10 0.00 -0.01 0.00 0.00 57.00 54.81 3hs0 n GLN 747 Cb 0.15 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 3hs0 n GLN 747 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hs0 n GLY 748 N -0.68 -0.00 3.13 1.08 0.00 -0.50 -5.01 105.19 103.21 3hs0 n GLY 748 Ca 0.09 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3hs0 n GLY 748 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 749 N -2.49 2.52 -0.18 -0.61 -1.09 -1.26 -4.79 121.20 113.30 3hs0 s ILE 749 Ca 0.00 -1.31 -0.09 0.00 -2.23 0.00 0.00 60.65 57.02 3hs0 s ILE 749 Cb 0.00 -2.36 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 3hs0 s ILE 749 CO 0.00 0.10 0.13 -0.94 -1.23 0.00 0.00 174.94 173.00 3hs0 s SER 750 N 1.22 6.20 0.03 3.58 1.04 -1.26 -3.23 113.70 121.28 3hs0 s SER 750 Ca -0.04 0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.74 3hs0 s SER 750 Cb -0.18 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 3hs0 s SER 750 CO -0.05 0.24 -0.17 -0.94 0.98 0.00 0.00 173.24 173.30 3hs0 s SER 751 N -0.03 3.86 -0.24 7.02 1.04 -1.26 -5.00 113.70 119.09 3hs0 s SER 751 Ca 0.10 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.16 3hs0 s SER 751 Cb -0.11 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.40 3hs0 s SER 751 CO -0.00 0.27 -0.09 -0.75 0.98 0.00 0.00 173.24 173.64 3hs0 s LYS 752 N -1.34 2.02 0.05 4.02 2.47 -1.26 -4.82 119.74 120.88 3hs0 s LYS 752 Ca 0.14 -1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 53.11 3hs0 s LYS 752 Cb -0.11 -2.71 -0.05 0.00 -1.46 0.00 0.00 37.83 33.50 3hs0 s LYS 752 CO 0.05 -0.55 1.17 0.99 0.16 0.00 0.00 175.35 177.17 3hs0 s THR 753 N 1.25 4.15 -0.07 3.43 2.01 -1.26 -5.02 115.64 120.13 3hs0 s THR 753 Ca -0.06 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.50 3hs0 s THR 753 Cb -0.19 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.35 3hs0 s THR 753 CO -0.06 0.12 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.55 3hs0 s MET 754 N 1.09 1.64 0.05 4.92 1.75 -1.26 -5.14 119.30 122.35 3hs0 s MET 754 Ca 0.58 -0.39 0.07 0.00 -1.25 0.00 0.00 55.69 54.70 3hs0 s MET 754 Cb -0.28 -1.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.97 3hs0 s MET 754 CO 0.29 0.00 -0.17 -1.54 -0.65 0.00 0.00 175.02 172.95 3hs0 s SER 755 N 0.75 3.90 -0.04 1.11 1.04 -1.26 -5.12 113.70 114.08 3hs0 s SER 755 Ca -0.13 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 55.60 3hs0 s SER 755 Cb -0.16 -0.65 0.11 0.00 0.10 0.00 0.00 66.02 65.42 3hs0 s SER 755 CO 0.03 0.25 0.92 0.72 0.98 0.00 0.00 173.24 176.13 3hs0 s PHE 756 N -0.96 -0.34 -0.13 5.02 -0.12 -1.26 -5.17 117.98 115.02 3hs0 s PHE 756 Ca 0.15 0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 57.24 3hs0 s PHE 756 Cb -0.11 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3hs0 s PHE 756 CO 0.06 -0.50 0.09 0.71 -0.05 0.00 0.00 175.22 175.54 3hs0 s TYR 757 N -2.79 3.42 0.86 3.49 2.02 -1.26 -5.10 117.35 118.00 3hs0 s TYR 757 Ca 0.04 0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.99 3hs0 s TYR 757 Cb -0.01 -1.96 0.11 0.00 -0.40 0.00 0.00 41.96 39.71 3hs0 s TYR 757 CO -0.07 0.53 1.10 -0.51 -1.57 0.00 0.00 175.55 175.03 3hs0 s LEU 758 N -0.60 2.64 0.00 -1.29 1.43 -1.26 -5.06 118.68 114.54 3hs0 s LEU 758 Ca 0.12 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3hs0 s LEU 758 Cb -0.12 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3hs0 s LEU 758 CO 0.02 -2.60 0.00 0.54 0.23 0.00 0.00 176.35 174.54 3hs0 n ARG 759 N -3.88 1.06 0.01 1.70 5.12 -1.26 -5.02 116.66 114.38 3hs0 n ARG 759 Ca 0.09 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.12 3hs0 n ARG 759 Cb 0.53 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.74 3hs0 n ARG 759 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hs0 n ASP 760 N -0.16 0.51 -4.74 0.55 8.00 -0.75 -4.97 116.55 115.00 3hs0 n ASP 760 Ca 0.00 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 3hs0 n ASP 760 Cb 0.00 1.29 -0.01 0.00 -0.02 0.00 0.00 41.12 42.38 3hs0 n ASP 760 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hs0 n SER 761 N -1.95 3.68 -4.44 -2.24 7.64 -1.21 -4.85 113.62 110.25 3hs0 n SER 761 Ca 0.00 1.16 -0.44 0.00 1.01 0.00 0.00 58.87 60.61 3hs0 n SER 761 Cb 0.46 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.02 3hs0 n SER 761 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hs0 s ILE 762 N -0.21 4.85 0.00 0.44 1.01 -1.26 -4.87 121.20 121.16 3hs0 s ILE 762 Ca 0.63 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3hs0 s ILE 762 Cb -0.51 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.62 3hs0 s ILE 762 CO 0.51 -0.86 0.00 1.07 0.00 0.00 0.00 174.94 175.66 3hs0 n THR 763 N 5.63 0.00 -4.43 2.92 5.66 -1.10 -4.99 114.28 117.98 3hs0 n THR 763 Ca -0.07 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 3hs0 n THR 763 Cb 0.45 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.08 3hs0 n THR 763 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3hs0 s THR 764 N -2.41 2.77 -0.09 1.09 2.01 -1.26 -0.74 115.64 117.01 3hs0 s THR 764 Ca 0.00 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 3hs0 s THR 764 Cb 0.00 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 3hs0 s THR 764 CO 0.00 0.50 0.46 0.26 -0.69 0.00 0.00 174.62 175.15 3hs0 s TRP 765 N 0.90 3.56 -0.31 4.92 0.52 0.54 -4.89 118.94 124.18 3hs0 s TRP 765 Ca -0.03 0.90 -0.10 0.00 0.02 0.00 0.00 56.10 56.89 3hs0 s TRP 765 Cb -0.15 -2.49 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 3hs0 s TRP 765 CO -0.01 0.27 0.15 0.08 0.02 0.00 0.00 176.95 177.46 3hs0 s VAL 766 N 0.25 4.66 -0.32 4.03 1.01 -1.26 -0.20 120.40 128.56 3hs0 s VAL 766 Ca 0.25 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3hs0 s VAL 766 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3hs0 s VAL 766 CO 0.11 0.09 0.35 -0.69 0.00 0.00 0.00 175.10 174.96 3hs0 s VAL 767 N 1.63 5.18 -0.16 2.92 1.01 0.62 -4.95 120.40 126.64 3hs0 s VAL 767 Ca 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3hs0 s VAL 767 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3hs0 s VAL 767 CO 0.07 0.00 0.01 -0.76 0.00 0.00 0.00 175.10 174.42 3hs0 s LEU 768 N 2.02 3.54 -0.02 3.92 1.43 -1.26 -2.24 118.68 126.07 3hs0 s LEU 768 Ca 0.12 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3hs0 s LEU 768 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3hs0 s LEU 768 CO 0.11 0.19 -0.23 0.00 0.23 0.00 0.00 176.35 176.65 3hs0 s ALA 769 N 0.28 2.32 -0.05 4.21 0.00 -1.26 -5.06 121.76 122.19 3hs0 s ALA 769 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3hs0 s ALA 769 Cb -0.13 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3hs0 s ALA 769 CO 0.02 0.54 0.01 0.08 0.00 0.00 0.00 175.76 176.40 3hs0 s VAL 770 N -0.67 0.24 0.17 0.00 1.01 -1.26 -1.67 120.40 118.21 3hs0 s VAL 770 Ca 0.11 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.34 3hs0 s VAL 770 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hs0 s VAL 770 CO -0.00 0.21 -0.18 -0.94 0.00 0.00 0.00 175.10 174.19 3hs0 s SER 771 N 1.68 3.79 -0.02 3.32 1.04 -0.30 -4.95 113.70 118.26 3hs0 s SER 771 Ca -0.00 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3hs0 s SER 771 Cb -0.13 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.52 3hs0 s SER 771 CO -0.03 0.13 -0.14 0.12 0.98 0.00 0.00 173.24 174.30 3hs0 s PHE 772 N -1.53 1.29 0.03 5.02 5.36 -1.26 -0.94 117.98 125.94 3hs0 s PHE 772 Ca 0.21 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 3hs0 s PHE 772 Cb -0.09 -0.85 -0.02 0.00 -0.34 0.00 0.00 43.02 41.72 3hs0 s PHE 772 CO 0.11 -0.06 -0.06 0.95 -1.46 0.00 0.00 175.22 174.71 3hs0 s THR 773 N -0.19 0.41 0.59 0.12 -4.23 -1.10 -5.02 115.64 106.23 3hs0 s THR 773 Ca 0.03 -0.83 0.31 0.00 -1.18 0.00 0.00 61.69 60.01 3hs0 s THR 773 Cb -0.07 -0.47 0.36 0.00 1.34 0.00 0.00 72.50 73.66 3hs0 s THR 773 CO 0.00 -0.29 2.26 -0.65 -0.54 0.00 0.00 174.62 175.40 3hs0 h PRO 774 N 4.89 0.00 0.00 3.99 0.11 -2.01 -1.54 132.00 137.44 3hs0 h PRO 774 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hs0 h PRO 774 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hs0 h PRO 774 CO 0.43 0.01 -1.14 0.25 -0.21 0.00 0.00 178.00 177.34 3hs0 n THR 775 N -3.75 0.00 -0.50 -1.15 -2.24 -1.26 -4.60 114.28 100.78 3hs0 n THR 775 Ca -0.03 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 3hs0 n THR 775 Cb 0.09 0.59 0.09 0.00 -2.10 0.00 0.00 70.33 69.00 3hs0 n THR 775 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hs0 n LYS 776 N -1.65 2.34 0.00 -0.78 4.76 -1.07 -5.11 118.16 116.65 3hs0 n LYS 776 Ca -0.00 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.37 3hs0 n LYS 776 Cb 0.29 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3hs0 n LYS 776 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hs0 n GLY 777 N -0.75 0.88 3.77 0.72 0.00 -0.60 -4.70 105.19 104.51 3hs0 n GLY 777 Ca 0.09 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3hs0 n GLY 777 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 778 N 0.00 5.01 -0.09 -0.61 1.01 -1.26 -2.69 121.20 122.56 3hs0 s ILE 778 Ca 0.00 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.75 3hs0 s ILE 778 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3hs0 s ILE 778 CO 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 3hs0 s VAL 780 N 0.86 5.00 0.90 0.00 1.01 -1.26 -1.15 120.40 125.76 3hs0 s VAL 780 Ca -0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3hs0 s VAL 780 Cb -0.15 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.85 3hs0 s VAL 780 CO 0.01 0.09 1.12 0.00 0.00 0.00 0.00 175.10 176.32 3hs0 s ALA 781 N 1.69 1.73 0.08 5.51 0.00 -0.67 -5.01 121.76 125.09 3hs0 s ALA 781 Ca 0.06 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 3hs0 s ALA 781 Cb -0.17 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 3hs0 s ALA 781 CO 0.09 -2.26 0.91 -1.21 0.00 0.00 0.00 175.76 173.29 3hs0 s GLU 782 N -5.19 4.63 0.12 0.00 0.41 -1.26 -4.78 118.70 112.62 3hs0 s GLU 782 Ca 0.63 1.34 -0.36 0.00 -0.41 0.00 0.00 54.97 56.18 3hs0 s GLU 782 Cb -0.15 -3.38 -0.16 0.00 -1.78 0.00 0.00 34.13 28.65 3hs0 s GLU 782 CO 0.54 0.20 1.41 -2.30 -0.49 0.00 0.00 175.26 174.62 3hs0 n PRO 783 N 2.94 1.47 -3.81 0.39 -0.02 -1.26 -4.89 135.00 129.83 3hs0 n PRO 783 Ca 0.01 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 3hs0 n PRO 783 Cb 0.50 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 3hs0 n PRO 783 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hs0 s TYR 784 N 0.57 3.16 -0.06 6.00 5.04 -0.95 -4.94 117.35 126.16 3hs0 s TYR 784 Ca 0.82 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 55.24 3hs0 s TYR 784 Cb -0.86 -2.22 -0.04 0.00 0.35 0.00 0.00 41.96 39.19 3hs0 s TYR 784 CO 0.44 -0.16 0.15 -1.21 -1.34 0.00 0.00 175.55 173.42 3hs0 s GLU 785 N 1.26 3.39 -0.17 4.97 2.02 -1.26 -0.28 118.70 128.63 3hs0 s GLU 785 Ca 0.05 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.80 3hs0 s GLU 785 Cb -0.14 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 31.01 3hs0 s GLU 785 CO 0.04 0.72 -0.15 0.42 0.02 0.00 0.00 175.26 176.32 3hs0 s ILE 786 N -1.15 1.76 -0.27 -1.63 1.01 0.71 -4.95 121.20 116.67 3hs0 s ILE 786 Ca 0.20 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3hs0 s ILE 786 Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3hs0 s ILE 786 CO 0.11 0.39 0.55 -0.13 0.00 0.00 0.00 174.94 175.86 3hs0 s ARG 787 N 1.39 4.03 -0.09 2.79 0.52 -1.26 -0.34 118.95 125.99 3hs0 s ARG 787 Ca 0.03 0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 55.56 3hs0 s ARG 787 Cb -0.14 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 3hs0 s ARG 787 CO -0.11 -0.41 -0.03 0.08 0.02 0.00 0.00 175.30 174.86 3hs0 s VAL 788 N 2.39 4.05 -0.28 3.52 1.01 0.09 -5.02 120.40 126.14 3hs0 s VAL 788 Ca 0.22 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 3hs0 s VAL 788 Cb -0.15 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.66 3hs0 s VAL 788 CO 0.10 0.59 1.04 -0.32 0.00 0.00 0.00 175.10 176.50 3hs0 s MET 789 N -0.68 0.45 0.19 2.72 0.00 -1.26 -2.71 119.30 118.01 3hs0 s MET 789 Ca 0.11 0.59 0.05 0.00 0.00 0.00 0.00 55.69 56.44 3hs0 s MET 789 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.87 3hs0 s MET 789 CO 0.02 -0.06 0.17 0.15 0.00 0.00 0.00 175.02 175.29 3hs0 s LYS 790 N 0.51 2.95 0.00 4.11 1.02 -1.26 -5.02 119.74 122.05 3hs0 s LYS 790 Ca 0.00 -0.90 0.28 0.00 0.02 0.00 0.00 55.97 55.37 3hs0 s LYS 790 Cb -0.05 -2.65 1.13 0.00 -0.52 0.00 0.00 37.83 35.75 3hs0 s LYS 790 CO -0.09 0.46 1.84 1.33 -0.92 0.00 0.00 175.35 177.98 3hs0 n VAL 791 N -0.62 0.00 -3.59 3.17 0.24 -1.26 -4.65 118.33 111.62 3hs0 n VAL 791 Ca -0.08 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.18 3hs0 n VAL 791 Cb 0.56 -0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 3hs0 n VAL 791 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3hs0 s PHE 792 N -2.93 -1.18 0.30 6.34 5.36 -1.26 -1.21 117.98 123.41 3hs0 s PHE 792 Ca 0.16 1.96 -0.15 0.00 -0.96 0.00 0.00 56.93 57.93 3hs0 s PHE 792 Cb 0.19 0.59 0.02 0.00 -0.34 0.00 0.00 43.02 43.48 3hs0 s PHE 792 CO 0.55 -0.63 0.63 -0.59 -1.46 0.00 0.00 175.22 173.72 3hs0 s PHE 793 N 2.79 0.20 -0.11 10.12 -0.12 -0.99 -4.60 117.98 125.26 3hs0 s PHE 793 Ca -0.01 -0.65 -0.03 0.00 -0.05 0.00 0.00 56.93 56.18 3hs0 s PHE 793 Cb -0.12 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 3hs0 s PHE 793 CO -0.17 -1.23 0.01 0.42 -0.05 0.00 0.00 175.22 174.20 3hs0 s ILE 794 N -3.48 4.39 -0.18 -4.49 1.01 -1.26 -1.50 121.20 115.70 3hs0 s ILE 794 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 3hs0 s ILE 794 Cb -0.03 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3hs0 s ILE 794 CO 0.10 0.57 -0.09 -0.62 0.00 0.00 0.00 174.94 174.90 3hs0 s ASP 795 N -0.55 4.08 -0.28 3.58 2.15 0.28 -4.95 116.67 120.98 3hs0 s ASP 795 Ca 0.09 -0.38 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 3hs0 s ASP 795 Cb -0.12 -1.66 0.09 0.00 -0.30 0.00 0.00 42.92 40.93 3hs0 s ASP 795 CO 0.02 0.06 0.09 -0.22 -0.17 0.00 0.00 175.17 174.96 3hs0 s LEU 796 N 0.97 1.53 -0.24 -1.34 2.96 -1.26 0.08 118.68 121.39 3hs0 s LEU 796 Ca -0.01 -1.36 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 3hs0 s LEU 796 Cb -0.15 -0.66 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 3hs0 s LEU 796 CO -0.01 -0.40 0.20 -1.10 -1.32 0.00 0.00 176.35 173.73 3hs0 s GLN 797 N 1.81 4.06 0.19 1.98 -1.52 -1.26 -5.08 119.66 119.84 3hs0 s GLN 797 Ca 0.07 -0.21 0.11 0.00 -1.95 0.00 0.00 55.36 53.38 3hs0 s GLN 797 Cb -0.17 -3.56 -0.04 0.00 -0.22 0.00 0.00 33.01 29.01 3hs0 s GLN 797 CO -0.25 -0.00 -0.23 -1.64 -0.25 0.00 0.00 175.29 172.92 3hs0 s MET 798 N 1.24 1.55 0.95 2.91 -1.94 -1.26 -4.61 119.30 118.13 3hs0 s MET 798 Ca 0.09 -1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 52.43 3hs0 s MET 798 Cb -0.14 -1.86 0.16 0.00 2.01 0.00 0.00 34.83 35.00 3hs0 s MET 798 CO 0.06 0.40 1.09 -2.14 -0.01 0.00 0.00 175.02 174.42 3hs0 s PRO 799 N -2.70 0.82 0.39 2.03 0.02 -1.26 -4.90 135.00 129.40 3hs0 s PRO 799 Ca 0.21 0.85 0.07 0.00 0.02 0.00 0.00 61.00 62.14 3hs0 s PRO 799 Cb -0.08 -1.76 0.81 0.00 0.02 0.00 0.00 34.50 33.50 3hs0 s PRO 799 CO 0.10 -2.55 2.03 -0.92 -0.33 0.00 0.00 177.00 175.33 3hs0 h TYR 800 N -1.78 0.60 -2.85 6.54 3.20 -2.00 -3.44 116.97 117.25 3hs0 h TYR 800 Ca -0.51 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 3hs0 h TYR 800 Cb 1.30 -0.20 -0.14 0.00 1.54 0.00 0.00 36.73 39.22 3hs0 h TYR 800 CO 0.39 0.36 0.11 -1.54 -1.64 0.00 0.00 178.16 175.84 3hs0 s SER 801 N -6.52 -0.49 0.13 -2.11 1.04 -1.26 -4.39 113.70 100.10 3hs0 s SER 801 Ca -0.09 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.49 3hs0 s SER 801 Cb 0.18 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3hs0 s SER 801 CO 0.75 -0.82 -0.10 0.68 0.98 0.00 0.00 173.24 174.72 3hs0 s VAL 802 N -2.97 1.10 0.06 5.02 -7.23 0.01 -5.00 120.40 111.39 3hs0 s VAL 802 Ca -0.02 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 3hs0 s VAL 802 Cb -0.00 -1.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 3hs0 s VAL 802 CO -0.06 -0.68 0.43 -0.69 -0.31 0.00 0.00 175.10 173.79 3hs0 s VAL 803 N -3.03 5.02 0.51 1.32 1.01 -1.26 -1.23 120.40 122.74 3hs0 s VAL 803 Ca 0.13 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 3hs0 s VAL 803 Cb 0.01 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3hs0 s VAL 803 CO 0.00 0.39 1.39 1.17 0.00 0.00 0.00 175.10 178.06 3hs0 n LYS 804 N 1.24 1.91 -0.19 2.72 4.81 -0.12 -2.65 118.16 125.87 3hs0 n LYS 804 Ca -0.10 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3hs0 n LYS 804 Cb 0.52 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.97 3hs0 n LYS 804 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hs0 n ASN 805 N -0.70 0.00 -4.69 3.14 3.02 0.63 -4.70 115.26 111.96 3hs0 n ASN 805 Ca 0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 3hs0 n ASN 805 Cb 0.43 -1.22 -0.08 0.00 -0.61 0.00 0.00 39.78 38.30 3hs0 n ASN 805 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hs0 s GLU 806 N -0.20 4.18 0.12 3.52 2.12 -1.08 -4.91 118.70 122.44 3hs0 s GLU 806 Ca 0.00 0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 3hs0 s GLU 806 Cb 0.00 -3.49 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 3hs0 s GLU 806 CO 0.00 0.10 1.16 -1.14 -0.54 0.00 0.00 175.26 174.84 3hs0 s GLN 807 N 0.91 4.50 0.11 4.30 0.74 -1.26 -4.40 119.66 124.55 3hs0 s GLN 807 Ca 0.15 1.76 0.02 0.00 0.05 0.00 0.00 55.36 57.34 3hs0 s GLN 807 Cb -0.14 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3hs0 s GLN 807 CO 0.05 -0.12 -0.08 0.14 -0.55 0.00 0.00 175.29 174.74 3hs0 s VAL 808 N 0.46 0.81 -0.16 1.34 -7.23 -0.73 -5.01 120.40 109.87 3hs0 s VAL 808 Ca 0.55 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 3hs0 s VAL 808 Cb -0.30 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 3hs0 s VAL 808 CO 0.32 -0.82 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.59 3hs0 s GLU 809 N -3.69 3.75 -0.20 4.82 2.12 -1.26 -2.13 118.70 122.11 3hs0 s GLU 809 Ca 0.12 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 3hs0 s GLU 809 Cb 0.04 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 3hs0 s GLU 809 CO -0.03 0.27 -0.02 0.42 -0.54 0.00 0.00 175.26 175.35 3hs0 s ILE 810 N 0.33 3.71 -0.46 -3.70 1.01 0.89 -4.94 121.20 118.03 3hs0 s ILE 810 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3hs0 s ILE 810 Cb -0.14 -2.67 0.12 0.00 0.01 0.00 0.00 42.46 39.78 3hs0 s ILE 810 CO 0.02 0.43 0.32 -0.60 0.00 0.00 0.00 174.94 175.11 3hs0 s ARG 811 N 1.11 2.39 0.52 2.79 3.52 -1.26 -0.04 118.95 127.98 3hs0 s ARG 811 Ca 0.02 -1.80 -0.13 0.00 -0.13 0.00 0.00 55.73 53.69 3hs0 s ARG 811 Cb -0.14 -3.86 -0.06 0.00 -1.56 0.00 0.00 34.95 29.32 3hs0 s ARG 811 CO 0.01 -1.17 0.94 0.00 -0.81 0.00 0.00 175.30 174.27 3hs0 s ALA 812 N 1.29 3.15 -0.14 6.12 0.00 -0.99 -4.35 121.76 126.84 3hs0 s ALA 812 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 3hs0 s ALA 812 Cb -0.25 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3hs0 s ALA 812 CO -0.02 -0.31 -0.10 0.42 0.00 0.00 0.00 175.76 175.75 3hs0 s ILE 813 N -2.72 1.30 -0.31 0.00 -1.09 0.11 -0.61 121.20 117.88 3hs0 s ILE 813 Ca 0.56 -0.52 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 3hs0 s ILE 813 Cb -0.10 -1.30 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 3hs0 s ILE 813 CO 0.38 0.36 0.75 -0.76 -1.23 0.00 0.00 174.94 174.44 3hs0 s LEU 814 N 1.59 4.11 -0.27 2.97 1.02 -0.57 -0.56 118.68 126.97 3hs0 s LEU 814 Ca 0.04 0.58 -0.10 0.00 0.02 0.00 0.00 54.13 54.67 3hs0 s LEU 814 Cb -0.13 -3.01 -0.05 0.00 0.02 0.00 0.00 46.19 43.02 3hs0 s LEU 814 CO -0.09 -0.59 0.17 -1.00 0.02 0.00 0.00 176.35 174.85 3hs0 s HIS 815 N 2.88 3.21 -0.37 0.29 3.76 -0.56 -1.93 115.29 122.58 3hs0 s HIS 815 Ca 0.30 0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 55.21 3hs0 s HIS 815 Cb -0.14 -2.34 0.07 0.00 1.11 0.00 0.00 32.58 31.28 3hs0 s HIS 815 CO 0.13 -0.15 0.14 1.21 -0.85 0.00 0.00 174.74 175.22 3hs0 s ASN 816 N 1.61 5.29 0.00 1.40 2.47 -0.69 -2.36 114.94 122.66 3hs0 s ASN 816 Ca 0.07 -1.47 0.19 0.00 0.42 0.00 0.00 52.86 52.07 3hs0 s ASN 816 Cb -0.15 -1.85 0.51 0.00 -1.45 0.00 0.00 41.25 38.30 3hs0 s ASN 816 CO 0.09 -0.42 1.43 -1.22 -3.72 0.00 0.00 177.10 173.26 3hs0 n TYR 817 N 4.74 0.75 -2.41 0.43 4.01 -0.35 -2.23 117.16 122.10 3hs0 n TYR 817 Ca -0.10 -0.45 -0.40 0.00 -0.16 0.00 0.00 57.90 56.79 3hs0 n TYR 817 Cb 0.43 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3hs0 n TYR 817 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hs0 s VAL 818 N -1.07 3.41 -0.37 -0.72 1.01 -1.23 -4.80 120.40 116.63 3hs0 s VAL 818 Ca 0.40 1.37 -0.06 0.00 0.00 0.00 0.00 61.98 63.69 3hs0 s VAL 818 Cb 0.21 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.56 3hs0 s VAL 818 CO 0.28 0.31 3.30 -3.20 0.00 0.00 0.00 175.10 175.79 3hs0 n ASN 819 N 1.37 6.10 -3.54 3.32 5.15 -1.26 -2.47 115.26 123.94 3hs0 n ASN 819 Ca -0.00 -2.69 -0.16 0.00 -0.60 0.00 0.00 54.58 51.13 3hs0 n ASN 819 Cb 0.44 -1.39 -0.06 0.00 -0.53 0.00 0.00 39.78 38.24 3hs0 n ASN 819 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3hs0 s GLU 820 N 0.44 0.96 0.40 1.20 -1.05 -1.26 -4.96 118.70 114.43 3hs0 s GLU 820 Ca 0.65 0.27 -0.26 0.00 -0.15 0.00 0.00 54.97 55.48 3hs0 s GLU 820 Cb 0.31 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.36 3hs0 s GLU 820 CO -0.06 -0.29 1.35 -0.51 0.95 0.00 0.00 175.26 176.70 3hs0 s ASP 821 N -1.10 6.29 0.07 0.83 1.01 -1.26 -4.08 116.67 118.44 3hs0 s ASP 821 Ca -0.09 2.76 0.02 0.00 0.71 0.00 0.00 52.55 55.95 3hs0 s ASP 821 Cb -0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3hs0 s ASP 821 CO 0.08 -0.87 -0.08 0.27 0.21 0.00 0.00 175.17 174.78 3hs0 s ILE 822 N -1.21 0.65 -0.20 0.77 -4.36 -1.15 -4.94 121.20 110.75 3hs0 s ILE 822 Ca 0.56 -1.50 -0.03 0.00 -0.26 0.00 0.00 60.65 59.42 3hs0 s ILE 822 Cb -0.40 -1.15 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 3hs0 s ILE 822 CO 0.53 -0.61 -0.06 -0.47 0.24 0.00 0.00 174.94 174.56 3hs0 s TYR 823 N -2.45 2.93 0.26 1.37 5.04 -1.26 -1.48 117.35 121.76 3hs0 s TYR 823 Ca 0.01 -0.93 0.11 0.00 -2.44 0.00 0.00 57.07 53.81 3hs0 s TYR 823 Cb -0.03 -2.06 -0.05 0.00 0.35 0.00 0.00 41.96 40.18 3hs0 s TYR 823 CO -0.02 -0.51 -0.18 0.14 -1.34 0.00 0.00 175.55 173.64 3hs0 s VAL 824 N 1.29 2.29 -0.07 3.14 -7.23 -0.72 -0.66 120.40 118.43 3hs0 s VAL 824 Ca 0.03 -2.35 0.03 0.00 -1.81 0.00 0.00 61.98 57.88 3hs0 s VAL 824 Cb -0.14 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.55 3hs0 s VAL 824 CO -0.03 -0.44 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.57 3hs0 s ARG 825 N -3.55 2.03 -0.10 4.82 3.52 -0.89 -1.66 118.95 123.12 3hs0 s ARG 825 Ca 0.28 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3hs0 s ARG 825 Cb -0.04 -1.63 0.01 0.00 -1.56 0.00 0.00 34.95 31.73 3hs0 s ARG 825 CO 0.13 0.06 -0.20 0.08 -0.81 0.00 0.00 175.30 174.56 3hs0 s VAL 826 N 0.61 1.82 0.06 7.11 1.01 0.19 -2.30 120.40 128.90 3hs0 s VAL 826 Ca -0.15 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.04 3hs0 s VAL 826 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3hs0 s VAL 826 CO 0.05 0.51 -0.19 -1.61 0.00 0.00 0.00 175.10 173.86 3hs0 s GLU 827 N 0.60 1.96 -0.26 2.72 2.02 -0.19 -1.28 118.70 124.27 3hs0 s GLU 827 Ca -0.14 -1.05 -0.07 0.00 0.02 0.00 0.00 54.97 53.73 3hs0 s GLU 827 Cb -0.17 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 3hs0 s GLU 827 CO 0.04 0.52 0.07 -1.17 0.02 0.00 0.00 175.26 174.74 3hs0 s LEU 828 N -1.64 3.54 0.50 1.80 2.96 -0.93 -2.02 118.68 122.88 3hs0 s LEU 828 Ca 0.15 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 3hs0 s LEU 828 Cb -0.10 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.62 3hs0 s LEU 828 CO 0.06 -0.08 1.19 -0.76 -1.32 0.00 0.00 176.35 175.45 3hs0 s LEU 829 N 1.58 3.92 0.21 -0.68 1.02 -0.80 -3.96 118.68 119.97 3hs0 s LEU 829 Ca 0.05 2.36 -0.30 0.00 0.02 0.00 0.00 54.13 56.27 3hs0 s LEU 829 Cb -0.16 -4.33 -0.09 0.00 0.02 0.00 0.00 46.19 41.64 3hs0 s LEU 829 CO 0.03 -1.12 1.27 -0.47 0.02 0.00 0.00 176.35 176.08 3hs0 s TYR 830 N -1.54 3.31 -0.07 0.29 5.04 -1.26 -4.78 117.35 118.33 3hs0 s TYR 830 Ca 0.67 1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 56.59 3hs0 s TYR 830 Cb -0.30 -3.54 0.04 0.00 0.35 0.00 0.00 41.96 38.51 3hs0 s TYR 830 CO 0.35 -1.62 0.08 1.21 -1.34 0.00 0.00 175.55 174.24 3hs0 s ASN 831 N 0.17 1.21 0.57 4.32 3.84 -1.26 -5.03 114.94 118.75 3hs0 s ASN 831 Ca 0.54 0.04 0.29 0.00 0.21 0.00 0.00 52.86 53.95 3hs0 s ASN 831 Cb -0.35 -0.07 1.47 0.00 -0.55 0.00 0.00 41.25 41.75 3hs0 s ASN 831 CO 0.39 -0.26 1.91 -0.65 -2.79 0.00 0.00 177.10 175.70 3hs0 h PRO 832 N 8.42 0.00 0.00 0.43 0.11 -1.96 0.25 132.00 139.25 3hs0 h PRO 832 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3hs0 h PRO 832 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hs0 h PRO 832 CO 0.17 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.96 3hs0 n ALA 833 N -2.45 1.75 -2.54 -0.75 0.00 -1.26 -4.75 120.51 110.52 3hs0 n ALA 833 Ca 0.10 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 3hs0 n ALA 833 Cb 0.71 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3hs0 n ALA 833 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hs0 s PHE 834 N -2.73 1.73 -0.24 0.00 0.08 0.88 -0.53 117.98 117.18 3hs0 s PHE 834 Ca 0.11 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.63 3hs0 s PHE 834 Cb 0.09 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 3hs0 s PHE 834 CO 0.23 0.15 0.27 0.00 -0.10 0.00 0.00 175.22 175.77 3hs0 n SER 836 N 4.59 0.00 0.01 0.00 3.41 -1.26 -0.93 113.62 119.44 3hs0 n SER 836 Ca -0.12 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.63 3hs0 n SER 836 Cb 0.52 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.01 3hs0 n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hs0 n ALA 837 N -3.00 2.54 -2.81 7.33 0.00 -1.26 -4.81 120.51 118.49 3hs0 n ALA 837 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 3hs0 n ALA 837 Cb 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 3hs0 n ALA 837 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hs0 s SER 838 N -3.10 6.05 0.39 0.00 0.01 -1.26 -4.43 113.70 111.35 3hs0 s SER 838 Ca 0.13 0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.77 3hs0 s SER 838 Cb 0.18 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 3hs0 s SER 838 CO 0.56 0.32 0.12 0.42 0.41 0.00 0.00 173.24 175.07 3hs0 s THR 839 N -0.47 2.43 0.34 1.44 -4.23 -0.75 -4.79 115.64 109.62 3hs0 s THR 839 Ca 0.11 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 3hs0 s THR 839 Cb -0.12 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.11 3hs0 s THR 839 CO 0.02 -0.07 1.79 0.50 -0.54 0.00 0.00 174.62 176.32 3hs0 h LYS 840 N 1.57 0.61 0.08 3.99 3.64 -1.99 -3.08 116.57 121.39 3hs0 h LYS 840 Ca -0.43 -0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 58.58 3hs0 h LYS 840 Cb 1.25 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3hs0 h LYS 840 CO 0.70 0.40 -1.81 0.41 -2.27 0.00 0.00 179.45 176.87 3hs0 n GLY 841 N -1.39 -0.63 3.39 5.01 0.00 -1.26 -4.83 105.19 105.47 3hs0 n GLY 841 Ca 0.23 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3hs0 n GLY 841 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hs0 s GLN 842 N -2.49 3.26 0.22 1.61 2.00 -1.16 -5.08 119.66 118.02 3hs0 s GLN 842 Ca -0.26 -0.75 -0.27 0.00 -2.00 0.00 0.00 55.36 52.09 3hs0 s GLN 842 Cb 0.07 -3.41 -0.09 0.00 0.80 0.00 0.00 33.01 30.38 3hs0 s GLN 842 CO 0.70 -0.39 0.87 0.50 -0.50 0.00 0.00 175.29 176.47 3hs0 s ARG 843 N 1.55 4.68 -0.21 1.67 3.52 -1.26 -1.81 118.95 127.09 3hs0 s ARG 843 Ca 0.04 1.31 -0.29 0.00 -0.13 0.00 0.00 55.73 56.66 3hs0 s ARG 843 Cb -0.17 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3hs0 s ARG 843 CO 0.04 0.50 1.08 -0.47 -0.81 0.00 0.00 175.30 175.63 3hs0 s TYR 844 N -1.26 3.26 -0.03 5.12 5.04 -1.25 -4.98 117.35 123.25 3hs0 s TYR 844 Ca 0.41 1.39 0.06 0.00 -2.44 0.00 0.00 57.07 56.49 3hs0 s TYR 844 Cb -0.23 -3.31 -0.01 0.00 0.35 0.00 0.00 41.96 38.75 3hs0 s TYR 844 CO 0.28 -0.70 -0.22 0.50 -1.34 0.00 0.00 175.55 174.07 3hs0 s ARG 845 N 3.17 1.97 0.06 4.97 3.52 -1.26 -2.20 118.95 129.18 3hs0 s ARG 845 Ca 0.46 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 55.36 3hs0 s ARG 845 Cb -0.17 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.39 3hs0 s ARG 845 CO 0.08 0.42 -0.22 -0.65 -0.81 0.00 0.00 175.30 174.12 3hs0 s GLN 846 N -0.34 1.39 -0.02 5.12 -0.21 -0.41 -4.99 119.66 120.20 3hs0 s GLN 846 Ca 0.04 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.39 3hs0 s GLN 846 Cb -0.10 -1.57 0.01 0.00 1.00 0.00 0.00 33.01 32.34 3hs0 s GLN 846 CO 0.01 0.39 -0.04 -0.65 -2.12 0.00 0.00 175.29 172.87 3hs0 s GLN 847 N -1.41 0.51 -0.05 2.91 -0.21 -1.26 -0.64 119.66 119.51 3hs0 s GLN 847 Ca 0.08 -0.14 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 3hs0 s GLN 847 Cb -0.09 -0.52 0.11 0.00 1.00 0.00 0.00 33.01 33.51 3hs0 s GLN 847 CO 0.03 0.04 0.94 -0.59 -2.12 0.00 0.00 175.29 173.59 3hs0 s PHE 848 N 0.25 -0.32 0.56 0.91 -0.12 -0.66 -4.99 117.98 113.60 3hs0 s PHE 848 Ca -0.03 0.26 -0.17 0.00 -0.05 0.00 0.00 56.93 56.94 3hs0 s PHE 848 Cb -0.06 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 3hs0 s PHE 848 CO -0.00 -0.47 1.05 -2.14 -0.05 0.00 0.00 175.22 173.60 3hs0 s PRO 849 N -2.75 3.50 -0.22 1.99 0.02 -1.26 -1.76 135.00 134.53 3hs0 s PRO 849 Ca 0.05 1.22 -0.04 0.00 0.02 0.00 0.00 61.00 62.25 3hs0 s PRO 849 Cb -0.01 -2.06 0.08 0.00 0.02 0.00 0.00 34.50 32.53 3hs0 s PRO 849 CO -0.07 -0.66 0.12 0.42 -0.33 0.00 0.00 177.00 176.48 3hs0 s ILE 850 N -2.34 -0.11 0.66 2.83 1.01 -0.55 -4.93 121.20 117.76 3hs0 s ILE 850 Ca 0.64 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.75 3hs0 s ILE 850 Cb -0.16 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3hs0 s ILE 850 CO 0.32 -0.44 0.86 0.29 0.00 0.00 0.00 174.94 175.97 3hs0 n LYS 851 N 5.27 0.64 -1.71 2.79 4.76 -1.26 -2.92 118.16 125.73 3hs0 n LYS 851 Ca -0.06 0.26 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 3hs0 n LYS 851 Cb 0.47 -2.10 -0.00 0.00 -1.84 0.00 0.00 35.03 31.56 3hs0 n LYS 851 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hs0 n ALA 852 N -2.10 1.44 -3.58 7.82 0.00 -1.26 -3.41 120.51 119.42 3hs0 n ALA 852 Ca 0.13 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 3hs0 n ALA 852 Cb 0.49 -2.28 0.05 0.00 0.00 0.00 0.00 19.45 17.71 3hs0 n ALA 852 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hs0 n LEU 853 N 0.68 -3.66 0.00 0.00 4.77 -1.03 -4.89 117.00 112.87 3hs0 n LEU 853 Ca 0.04 -0.83 -0.11 0.00 -0.03 0.00 0.00 56.01 55.08 3hs0 n LEU 853 Cb 0.37 -2.75 -0.01 0.00 -2.33 0.00 0.00 43.42 38.70 3hs0 n LEU 853 CO 0.62 0.35 0.26 -1.54 -1.33 0.00 0.00 177.39 175.75 3hs0 n SER 854 N -3.00 -1.49 -4.36 -1.43 3.41 -0.95 -5.01 113.62 100.80 3hs0 n SER 854 Ca -0.20 -2.60 -0.22 0.00 -0.26 0.00 0.00 58.87 55.59 3hs0 n SER 854 Cb 0.64 2.64 -0.11 0.00 -0.26 0.00 0.00 64.21 67.12 3hs0 n SER 854 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hs0 s SER 855 N -2.91 2.85 -0.03 4.04 0.01 -1.26 -1.70 113.70 114.70 3hs0 s SER 855 Ca 0.22 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 3hs0 s SER 855 Cb -0.02 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.06 3hs0 s SER 855 CO 0.16 -0.03 0.05 -0.60 0.41 0.00 0.00 173.24 173.23 3hs0 s ARG 856 N -2.98 -0.04 0.24 12.44 3.52 -0.81 -5.00 118.95 126.32 3hs0 s ARG 856 Ca 0.19 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 3hs0 s ARG 856 Cb -0.05 -0.32 -0.09 0.00 -1.56 0.00 0.00 34.95 32.93 3hs0 s ARG 856 CO 0.08 -0.22 1.16 0.00 -0.81 0.00 0.00 175.30 175.51 3hs0 s ALA 857 N 1.43 3.43 -0.40 6.12 0.00 -1.26 -1.51 121.76 129.57 3hs0 s ALA 857 Ca -0.05 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3hs0 s ALA 857 Cb -0.13 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.74 3hs0 s ALA 857 CO -0.03 -0.30 0.18 0.08 0.00 0.00 0.00 175.76 175.69 3hs0 s VAL 858 N -0.68 1.46 0.40 0.00 1.01 0.22 -4.95 120.40 117.86 3hs0 s VAL 858 Ca 0.48 -2.28 -0.24 0.00 0.00 0.00 0.00 61.98 59.94 3hs0 s VAL 858 Cb -0.33 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 3hs0 s VAL 858 CO 0.40 -0.79 1.09 -2.84 0.00 0.00 0.00 175.10 172.96 3hs0 s PRO 859 N 0.71 4.12 -0.04 2.72 0.02 -1.26 -2.34 135.00 138.94 3hs0 s PRO 859 Ca 0.15 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.81 3hs0 s PRO 859 Cb -0.22 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3hs0 s PRO 859 CO -0.07 -0.20 -0.11 -0.06 -0.33 0.00 0.00 177.00 176.23 3hs0 s PHE 860 N -1.57 1.17 -0.19 6.54 0.08 0.94 -4.95 117.98 120.00 3hs0 s PHE 860 Ca 0.57 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.25 3hs0 s PHE 860 Cb -0.25 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3hs0 s PHE 860 CO 0.31 -0.15 -0.02 0.08 -0.10 0.00 0.00 175.22 175.35 3hs0 s VAL 861 N 0.28 3.80 0.11 -0.44 1.01 -1.26 -0.08 120.40 123.83 3hs0 s VAL 861 Ca -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3hs0 s VAL 861 Cb -0.11 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3hs0 s VAL 861 CO 0.01 0.44 0.09 0.27 0.00 0.00 0.00 175.10 175.91 3hs0 s ILE 862 N 0.95 0.13 -0.26 2.22 -4.36 -0.91 -4.38 121.20 114.60 3hs0 s ILE 862 Ca 0.01 -1.74 -0.02 0.00 -0.26 0.00 0.00 60.65 58.63 3hs0 s ILE 862 Cb -0.14 -1.84 0.09 0.00 1.25 0.00 0.00 42.46 41.81 3hs0 s ILE 862 CO 0.01 -0.57 0.08 -0.69 0.24 0.00 0.00 174.94 174.02 3hs0 s VAL 863 N -3.99 0.51 0.18 8.37 1.01 -0.10 -1.77 120.40 124.60 3hs0 s VAL 863 Ca 0.18 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.90 3hs0 s VAL 863 Cb 0.07 -1.26 -0.13 0.00 0.00 0.00 0.00 36.38 35.06 3hs0 s VAL 863 CO -0.02 -0.52 1.67 -2.65 0.00 0.00 0.00 175.10 173.58 3hs0 n PRO 864 N 5.02 2.48 -0.00 2.72 -0.02 -1.26 -1.73 135.00 142.21 3hs0 n PRO 864 Ca -0.05 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 3hs0 n PRO 864 Cb 0.44 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.14 3hs0 n PRO 864 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hs0 n LEU 865 N 3.88 0.54 -3.92 2.45 4.77 0.31 -0.27 117.00 124.76 3hs0 n LEU 865 Ca 0.17 -0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 3hs0 n LEU 865 Cb 0.32 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 3hs0 n LEU 865 CO 0.64 0.13 -0.31 -1.61 -1.33 0.00 0.00 177.39 174.92 3hs0 s GLU 866 N -2.12 0.25 0.50 3.23 2.02 -1.25 -4.87 118.70 116.46 3hs0 s GLU 866 Ca 0.04 -0.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.58 3hs0 s GLU 866 Cb 0.09 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 3hs0 s GLU 866 CO 0.48 -0.05 0.89 1.14 0.02 0.00 0.00 175.26 177.75 3hs0 s GLN 867 N -0.94 3.72 0.00 1.61 -2.07 -1.26 -4.80 119.66 115.92 3hs0 s GLN 867 Ca -0.10 0.60 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 3hs0 s GLN 867 Cb -0.06 -2.24 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 3hs0 s GLN 867 CO -0.00 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 3hs0 n GLY 868 N -1.96 -0.42 3.73 2.60 0.00 0.14 -4.92 105.19 104.36 3hs0 n GLY 868 Ca 0.04 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 3hs0 n GLY 868 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hs0 s LEU 869 N 0.00 4.37 -0.03 0.99 1.43 -1.26 -0.79 118.68 123.39 3hs0 s LEU 869 Ca 0.00 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 3hs0 s LEU 869 Cb 0.00 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 43.15 3hs0 s LEU 869 CO 0.00 -0.04 0.07 -1.00 0.23 0.00 0.00 176.35 175.61 3hs0 s HIS 870 N 0.39 -0.07 0.04 0.29 3.76 -0.95 -4.94 115.29 113.81 3hs0 s HIS 870 Ca 0.36 0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 55.16 3hs0 s HIS 870 Cb -0.18 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 3hs0 s HIS 870 CO 0.19 -0.05 1.16 -0.51 -0.85 0.00 0.00 174.74 174.69 3hs0 s ASP 871 N 0.15 7.12 -0.31 1.40 1.01 -1.26 -0.49 116.67 124.30 3hs0 s ASP 871 Ca -0.01 1.94 -0.06 0.00 0.71 0.00 0.00 52.55 55.13 3hs0 s ASP 871 Cb -0.02 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3hs0 s ASP 871 CO -0.00 -0.45 0.07 -0.69 0.21 0.00 0.00 175.17 174.30 3hs0 s VAL 872 N 1.19 3.73 -0.21 -1.27 1.01 0.14 -4.93 120.40 120.06 3hs0 s VAL 872 Ca 0.57 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3hs0 s VAL 872 Cb -0.28 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3hs0 s VAL 872 CO 0.28 -0.01 -0.10 -0.70 0.00 0.00 0.00 175.10 174.58 3hs0 s GLU 873 N 1.43 3.15 -0.01 2.72 2.12 -1.26 -1.33 118.70 125.54 3hs0 s GLU 873 Ca 0.00 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.63 3hs0 s GLU 873 Cb -0.18 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 3hs0 s GLU 873 CO 0.02 -0.24 -0.14 0.42 -0.54 0.00 0.00 175.26 174.78 3hs0 s ILE 874 N 1.39 3.08 0.00 -3.70 1.01 0.31 -1.90 121.20 121.39 3hs0 s ILE 874 Ca 0.04 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3hs0 s ILE 874 Cb -0.14 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3hs0 s ILE 874 CO -0.07 0.46 -0.09 -0.54 0.00 0.00 0.00 174.94 174.71 3hs0 s LYS 875 N -1.12 0.68 0.00 2.79 1.02 -0.85 -0.30 119.74 121.96 3hs0 s LYS 875 Ca 0.14 -0.36 -0.05 0.00 0.02 0.00 0.00 55.97 55.72 3hs0 s LYS 875 Cb -0.11 -0.65 -0.00 0.00 -0.52 0.00 0.00 37.83 36.56 3hs0 s LYS 875 CO 0.04 0.17 0.10 0.00 -0.92 0.00 0.00 175.35 174.74 3hs0 s ALA 876 N -0.32 -0.23 0.01 5.17 0.00 0.98 -1.02 121.76 126.36 3hs0 s ALA 876 Ca 0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 3hs0 s ALA 876 Cb -0.04 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3hs0 s ALA 876 CO -0.00 -0.18 0.31 -1.54 0.00 0.00 0.00 175.76 174.35 3hs0 s SER 877 N -1.22 -0.17 -0.10 0.00 1.04 -0.97 -0.61 113.70 111.66 3hs0 s SER 877 Ca -0.13 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 3hs0 s SER 877 Cb -0.07 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 3hs0 s SER 877 CO 0.01 -0.52 0.31 -0.69 0.98 0.00 0.00 173.24 173.33 3hs0 s VAL 878 N -1.81 5.25 0.34 5.02 1.01 -0.82 -2.09 120.40 127.29 3hs0 s VAL 878 Ca -0.10 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 3hs0 s VAL 878 Cb -0.03 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3hs0 s VAL 878 CO 0.01 0.49 1.32 -1.58 0.00 0.00 0.00 175.10 175.34 3hs0 s GLN 879 N -0.30 4.34 -1.24 2.72 0.74 0.16 -3.34 119.66 122.74 3hs0 s GLN 879 Ca 0.19 2.24 -0.22 0.00 0.05 0.00 0.00 55.36 57.62 3hs0 s GLN 879 Cb -0.14 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 30.92 3hs0 s GLN 879 CO 0.07 -0.21 0.64 0.39 -0.55 0.00 0.00 175.29 175.62 3hs0 n GLU 880 N 0.77 -1.06 -3.83 1.67 1.02 0.88 -4.80 120.64 115.28 3hs0 n GLU 880 Ca 0.00 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.35 3hs0 n GLU 880 Cb 0.42 -3.48 0.01 0.00 -0.02 0.00 0.00 31.44 28.37 3hs0 n GLU 880 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hs0 s ALA 881 N -3.63 -1.37 -0.51 0.62 0.00 -1.21 -5.06 121.76 110.60 3hs0 s ALA 881 Ca 0.39 -0.33 0.22 0.00 0.00 0.00 0.00 51.96 52.24 3hs0 s ALA 881 Cb -0.18 0.72 -0.17 0.00 0.00 0.00 0.00 23.12 23.49 3hs0 s ALA 881 CO 0.92 -1.04 0.80 1.28 0.00 0.00 0.00 175.76 177.72 3hs0 n LEU 882 N -0.59 0.52 -4.75 0.00 4.77 -1.26 -4.83 117.00 110.86 3hs0 n LEU 882 Ca -0.05 -0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 3hs0 n LEU 882 Cb 0.60 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3hs0 n LEU 882 CO 0.20 0.08 0.91 0.26 -1.33 0.00 0.00 177.39 177.52 3hs0 s TRP 883 N -3.26 3.31 0.16 -1.77 0.51 -1.26 -4.97 118.94 111.66 3hs0 s TRP 883 Ca 0.01 1.45 -0.23 0.00 -2.12 0.00 0.00 56.10 55.21 3hs0 s TRP 883 Cb 0.15 -3.51 0.07 0.00 -0.81 0.00 0.00 33.47 29.36 3hs0 s TRP 883 CO 0.86 -1.39 0.60 -1.54 -0.51 0.00 0.00 176.95 174.97 3hs0 s SER 884 N -0.29 -0.56 -0.20 2.95 1.04 -1.26 -1.94 113.70 113.44 3hs0 s SER 884 Ca 0.50 -0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.66 3hs0 s SER 884 Cb -0.36 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.43 3hs0 s SER 884 CO 0.43 -0.98 0.67 -0.62 0.98 0.00 0.00 173.24 173.72 3hs0 s ASP 885 N -2.76 -0.68 0.03 7.02 2.15 0.22 -4.94 116.67 117.71 3hs0 s ASP 885 Ca 0.01 1.18 0.03 0.00 0.43 0.00 0.00 52.55 54.20 3hs0 s ASP 885 Cb -0.01 1.16 -0.02 0.00 -0.30 0.00 0.00 42.92 43.75 3hs0 s ASP 885 CO -0.12 -0.33 -0.09 -0.83 -0.17 0.00 0.00 175.17 173.63 3hs0 s GLY 886 N -0.06 0.51 -0.05 2.66 0.00 -1.26 -0.01 107.32 109.11 3hs0 s GLY 886 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3hs0 s GLY 886 CO 0.03 -0.62 -0.07 0.14 0.00 0.00 0.00 173.10 172.59 3hs0 s VAL 887 N -0.84 0.70 -0.20 1.40 1.01 0.59 -0.24 120.40 122.82 3hs0 s VAL 887 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3hs0 s VAL 887 Cb -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3hs0 s VAL 887 CO 0.00 0.26 -0.15 -0.60 0.00 0.00 0.00 175.10 174.61 3hs0 s ARG 888 N 0.79 2.96 0.08 2.72 3.52 -0.62 -0.53 118.95 127.86 3hs0 s ARG 888 Ca -0.12 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 54.67 3hs0 s ARG 888 Cb -0.15 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 3hs0 s ARG 888 CO 0.01 -0.27 -0.16 0.15 -0.81 0.00 0.00 175.30 174.23 3hs0 s LYS 889 N 1.31 0.88 -0.10 5.12 1.02 -0.44 -4.53 119.74 123.00 3hs0 s LYS 889 Ca 0.03 -1.00 -0.19 0.00 0.02 0.00 0.00 55.97 54.83 3hs0 s LYS 889 Cb -0.14 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 3hs0 s LYS 889 CO -0.10 0.21 0.52 0.15 -0.92 0.00 0.00 175.35 175.21 3hs0 s LYS 890 N -1.78 4.35 -0.23 1.68 1.02 -1.26 0.27 119.74 123.78 3hs0 s LYS 890 Ca -0.00 0.53 -0.09 0.00 0.02 0.00 0.00 55.97 56.43 3hs0 s LYS 890 Cb -0.10 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 3hs0 s LYS 890 CO 0.03 0.16 0.11 -1.17 -0.92 0.00 0.00 175.35 173.55 3hs0 s LEU 891 N 0.60 3.80 -0.38 3.17 2.96 0.36 -4.87 118.68 124.32 3hs0 s LEU 891 Ca 0.28 -0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.90 3hs0 s LEU 891 Cb -0.16 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3hs0 s LEU 891 CO 0.12 0.04 0.99 -0.75 -1.32 0.00 0.00 176.35 175.44 3hs0 s LYS 892 N 1.17 3.87 -0.21 1.98 2.20 -1.26 -2.23 119.74 125.26 3hs0 s LYS 892 Ca 0.06 0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 56.27 3hs0 s LYS 892 Cb -0.14 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 3hs0 s LYS 892 CO 0.04 -1.01 0.09 0.08 -0.36 0.00 0.00 175.35 174.19 3hs0 s VAL 893 N 3.67 4.86 0.16 4.02 1.01 0.03 -0.81 120.40 133.35 3hs0 s VAL 893 Ca 0.41 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3hs0 s VAL 893 Cb -0.11 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3hs0 s VAL 893 CO 0.20 0.41 -0.05 0.68 0.00 0.00 0.00 175.10 176.34 3hs0 s VAL 894 N 0.75 3.46 0.73 2.92 -7.23 -0.37 0.24 120.40 120.90 3hs0 s VAL 894 Ca 0.05 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3hs0 s VAL 894 Cb -0.13 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.14 3hs0 s VAL 894 CO 0.02 -0.07 1.21 -2.16 -0.31 0.00 0.00 175.10 173.79 3hs0 s PRO 895 N -2.77 2.12 0.61 4.82 0.04 -1.26 -0.95 135.00 137.62 3hs0 s PRO 895 Ca 0.25 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 3hs0 s PRO 895 Cb -0.09 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3hs0 s PRO 895 CO 0.16 -1.85 1.20 -1.21 0.04 0.00 0.00 177.00 175.34 3hs0 s GLU 896 N -3.89 2.86 0.00 4.56 2.02 -1.26 -4.68 118.70 118.30 3hs0 s GLU 896 Ca 0.75 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.54 3hs0 s GLU 896 Cb -0.30 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3hs0 s GLU 896 CO 0.45 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.85 3hs0 n GLY 897 N 0.44 -1.13 3.66 -1.39 0.00 -1.26 -4.96 105.19 100.55 3hs0 n GLY 897 Ca 0.13 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 3hs0 n GLY 897 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hs0 s VAL 898 N -0.89 4.33 -0.35 1.61 1.01 -1.26 -5.08 120.40 119.77 3hs0 s VAL 898 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 3hs0 s VAL 898 Cb 0.00 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3hs0 s VAL 898 CO 0.00 0.57 1.06 -1.58 0.00 0.00 0.00 175.10 175.15 3hs0 s GLN 899 N -0.57 3.98 0.55 2.72 0.74 -1.26 -5.03 119.66 120.79 3hs0 s GLN 899 Ca 0.10 0.91 0.06 0.00 0.05 0.00 0.00 55.36 56.47 3hs0 s GLN 899 Cb -0.12 -3.77 0.04 0.00 1.10 0.00 0.00 33.01 30.26 3hs0 s GLN 899 CO 0.02 -0.98 0.43 0.15 -0.55 0.00 0.00 175.29 174.36 3hs0 s LYS 900 N 3.74 2.25 -0.29 1.67 1.02 -1.26 -5.15 119.74 121.73 3hs0 s LYS 900 Ca 0.44 -2.00 -0.13 0.00 0.02 0.00 0.00 55.97 54.30 3hs0 s LYS 900 Cb -0.11 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.17 3hs0 s LYS 900 CO 0.18 -0.64 0.67 -1.54 -0.92 0.00 0.00 175.35 173.10 3hs0 s SER 901 N -4.31 -1.02 -0.13 2.83 1.04 -1.26 -5.13 113.70 105.72 3hs0 s SER 901 Ca 0.35 1.53 -0.22 0.00 0.48 0.00 0.00 55.95 58.10 3hs0 s SER 901 Cb -0.02 1.75 -0.03 0.00 0.10 0.00 0.00 66.02 67.82 3hs0 s SER 901 CO 0.22 -0.23 0.66 -0.63 0.98 0.00 0.00 173.24 174.24 3hs0 s ILE 902 N 2.15 5.04 -0.22 -1.02 1.01 -1.26 -5.05 121.20 121.85 3hs0 s ILE 902 Ca -0.08 1.31 -0.08 0.00 0.00 0.00 0.00 60.65 61.80 3hs0 s ILE 902 Cb -0.08 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3hs0 s ILE 902 CO -0.19 0.19 0.08 -0.69 0.00 0.00 0.00 174.94 174.32 3hs0 s VAL 903 N 1.32 4.69 -0.13 2.92 1.01 -1.26 -5.08 120.40 123.87 3hs0 s VAL 903 Ca 0.33 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3hs0 s VAL 903 Cb -0.17 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3hs0 s VAL 903 CO 0.14 0.39 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 3hs0 s THR 904 N 0.99 1.76 -0.13 3.92 2.01 -1.26 -5.12 115.64 117.81 3hs0 s THR 904 Ca 0.04 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 3hs0 s THR 904 Cb -0.14 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3hs0 s THR 904 CO 0.03 0.49 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 3hs0 s ILE 905 N 1.06 3.81 -0.09 1.82 -1.09 -1.26 -5.10 121.20 120.35 3hs0 s ILE 905 Ca -0.03 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3hs0 s ILE 905 Cb -0.14 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3hs0 s ILE 905 CO -0.05 0.52 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.46 3hs0 s VAL 906 N 0.05 0.68 -0.08 2.92 1.01 -1.26 -5.12 120.40 118.60 3hs0 s VAL 906 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 3hs0 s VAL 906 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3hs0 s VAL 906 CO 0.03 0.31 0.75 -0.54 0.00 0.00 0.00 175.10 175.64 3hs0 s LYS 907 N 1.85 4.42 -0.19 2.72 -0.14 -1.26 -5.05 119.74 122.09 3hs0 s LYS 907 Ca 0.05 0.95 -0.07 0.00 -1.36 0.00 0.00 55.97 55.54 3hs0 s LYS 907 Cb -0.12 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 3hs0 s LYS 907 CO -0.07 -0.03 0.06 -0.51 -0.76 0.00 0.00 175.35 174.04 3hs0 s LEU 908 N 1.10 3.74 -0.44 3.17 1.43 -1.26 -5.01 118.68 121.41 3hs0 s LEU 908 Ca 0.39 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3hs0 s LEU 908 Cb -0.18 -1.95 0.22 0.00 0.03 0.00 0.00 46.19 44.31 3hs0 s LEU 908 CO 0.18 0.16 0.93 -0.67 0.23 0.00 0.00 176.35 177.17 3hs0 n ASP 909 N 3.65 -2.54 -0.34 2.29 2.03 -1.26 -5.04 116.55 115.34 3hs0 n ASP 909 Ca -0.17 -2.37 0.18 0.00 0.52 0.00 0.00 54.79 52.96 3hs0 n ASP 909 Cb 0.52 1.38 0.39 0.00 -0.72 0.00 0.00 41.12 42.69 3hs0 n ASP 909 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hs0 h PRO 910 N 4.31 0.53 -0.06 -0.67 0.11 -1.93 0.97 132.00 135.26 3hs0 h PRO 910 Ca -0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hs0 h PRO 910 Cb 1.12 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hs0 h PRO 910 CO 0.03 0.35 0.07 -0.09 -0.21 0.00 0.00 178.00 178.14 3hs0 h ARG 911 N 0.54 0.00 0.00 1.05 9.65 -1.95 -1.17 114.38 122.50 3hs0 h ARG 911 Ca 0.65 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.49 3hs0 h ARG 911 Cb 1.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 3hs0 h ARG 911 CO -0.49 0.00 -0.68 0.00 2.80 0.00 0.00 179.97 181.59 3hs0 n ALA 912 N -2.31 2.25 1.47 2.80 0.00 0.18 -4.72 120.51 120.17 3hs0 n ALA 912 Ca -0.02 -0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.23 3hs0 n ALA 912 Cb 0.16 0.22 0.56 0.00 0.00 0.00 0.00 19.45 20.39 3hs0 n ALA 912 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hs0 n LYS 913 N -3.75 1.12 -0.76 0.00 5.02 -0.26 -4.93 118.16 114.60 3hs0 n LYS 913 Ca -0.09 -0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 55.53 3hs0 n LYS 913 Cb 0.31 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.92 3hs0 n LYS 913 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hs0 n GLY 914 N 1.22 -1.47 0.00 0.72 0.00 -0.44 -4.86 105.19 100.35 3hs0 n GLY 914 Ca 0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3hs0 n GLY 914 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hs0 n VAL 915 N -2.89 0.00 1.79 1.61 0.31 0.47 -4.77 118.33 114.85 3hs0 n VAL 915 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3hs0 n VAL 915 Cb 0.25 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3hs0 n VAL 915 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hs0 n GLY 916 N 4.59 -0.65 0.00 2.92 0.00 -1.26 -4.63 105.19 106.15 3hs0 n GLY 916 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hs0 n GLY 916 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 917 N 0.40 0.86 3.46 -0.02 0.00 -1.26 -5.10 105.19 103.52 3hs0 n GLY 917 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hs0 n GLY 917 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hs0 s THR 918 N -2.00 2.73 -0.21 2.61 2.01 -1.26 -4.71 115.64 114.82 3hs0 s THR 918 Ca 0.00 -1.33 -0.00 0.00 0.31 0.00 0.00 61.69 60.67 3hs0 s THR 918 Cb 0.00 -2.18 0.05 0.00 0.01 0.00 0.00 72.50 70.38 3hs0 s THR 918 CO 0.00 0.25 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.56 3hs0 s GLN 919 N -1.69 1.46 -0.13 4.92 0.74 -1.26 -0.39 119.66 123.30 3hs0 s GLN 919 Ca 0.15 -0.76 -0.15 0.00 0.05 0.00 0.00 55.36 54.65 3hs0 s GLN 919 Cb -0.10 -2.34 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 3hs0 s GLN 919 CO 0.07 -0.54 0.36 -1.17 -0.55 0.00 0.00 175.29 173.45 3hs0 s LEU 920 N 1.53 4.27 -0.13 3.68 2.96 -1.26 -5.06 118.68 124.68 3hs0 s LEU 920 Ca -0.03 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3hs0 s LEU 920 Cb -0.17 -2.49 0.04 0.00 0.50 0.00 0.00 46.19 44.07 3hs0 s LEU 920 CO -0.07 0.09 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.43 3hs0 s GLU 921 N 0.38 0.91 -0.27 1.98 0.41 -1.26 -5.11 118.70 115.74 3hs0 s GLU 921 Ca 0.20 -0.23 -0.08 0.00 -0.41 0.00 0.00 54.97 54.46 3hs0 s GLU 921 Cb -0.14 -1.60 -0.02 0.00 -1.78 0.00 0.00 34.13 30.59 3hs0 s GLU 921 CO 0.07 -0.43 0.09 0.08 -0.49 0.00 0.00 175.26 174.58 3hs0 s VAL 922 N 1.83 4.36 -0.41 2.63 1.01 -1.26 -5.06 120.40 123.51 3hs0 s VAL 922 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3hs0 s VAL 922 Cb -0.14 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.18 3hs0 s VAL 922 CO -0.07 0.26 0.27 -0.63 0.00 0.00 0.00 175.10 174.93 3hs0 s ILE 923 N 1.61 4.76 0.79 2.22 1.09 -1.26 -5.07 121.20 125.33 3hs0 s ILE 923 Ca 0.06 -0.97 -0.13 0.00 -1.10 0.00 0.00 60.65 58.51 3hs0 s ILE 923 Cb -0.16 -3.74 0.07 0.00 -1.06 0.00 0.00 42.46 37.58 3hs0 s ILE 923 CO 0.04 -0.37 1.17 -0.54 -0.10 0.00 0.00 174.94 175.14 3hs0 s LYS 924 N 1.57 1.85 0.08 2.79 1.02 -1.26 -4.90 119.74 120.89 3hs0 s LYS 924 Ca 0.03 1.60 -0.35 0.00 0.02 0.00 0.00 55.97 57.27 3hs0 s LYS 924 Cb -0.21 -1.82 -0.14 0.00 -0.52 0.00 0.00 37.83 35.14 3hs0 s LYS 924 CO 0.06 -2.02 1.58 0.00 -0.92 0.00 0.00 175.35 174.06 3hs0 n ALA 925 N -3.27 0.69 -1.50 5.17 0.00 -1.26 -4.91 120.51 115.43 3hs0 n ALA 925 Ca 0.12 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 3hs0 n ALA 925 Cb 0.51 -2.31 0.05 0.00 0.00 0.00 0.00 19.45 17.70 3hs0 n ALA 925 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hs0 s ARG 926 N 1.48 2.80 -0.28 0.00 3.00 -1.26 -5.00 118.95 119.69 3hs0 s ARG 926 Ca 0.83 1.32 -0.17 0.00 0.00 0.00 0.00 55.73 57.71 3hs0 s ARG 926 Cb -0.76 -1.96 -0.03 0.00 0.00 0.00 0.00 34.95 32.20 3hs0 s ARG 926 CO 0.44 -1.24 0.45 0.15 0.00 0.00 0.00 175.30 175.10 3hs0 s LYS 927 N -4.24 3.94 -0.41 3.54 1.02 -1.26 -5.02 119.74 117.32 3hs0 s LYS 927 Ca 0.65 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.75 3hs0 s LYS 927 Cb -0.19 -3.69 0.13 0.00 -0.52 0.00 0.00 37.83 33.56 3hs0 s LYS 927 CO 0.43 -0.38 0.21 -0.48 -0.92 0.00 0.00 175.35 174.21 3hs0 s LEU 928 N 2.22 2.54 0.25 3.17 2.34 -1.26 -4.96 118.68 122.98 3hs0 s LEU 928 Ca 0.18 -2.43 0.12 0.00 0.06 0.00 0.00 54.13 52.06 3hs0 s LEU 928 Cb -0.16 -0.98 0.18 0.00 -0.56 0.00 0.00 46.19 44.68 3hs0 s LEU 928 CO 0.10 -0.30 1.50 0.44 -1.06 0.00 0.00 176.35 177.03 3hs0 h ASP 929 N 6.99 0.00 0.47 1.48 5.19 -2.04 -3.17 116.42 125.34 3hs0 h ASP 929 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3hs0 h ASP 929 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3hs0 h ASP 929 CO 0.47 0.67 0.00 0.44 -3.12 0.00 0.00 179.24 177.69 3hs0 h ASP 930 N 0.00 0.00 -2.02 6.45 5.19 -2.05 -3.46 116.42 120.53 3hs0 h ASP 930 Ca -0.01 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 3hs0 h ASP 930 Cb 1.33 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.88 3hs0 h ASP 930 CO 0.09 0.00 0.82 -1.14 -3.12 0.00 0.00 179.24 175.88 3hs0 n ARG 931 N -2.70 1.86 -1.84 3.56 0.63 -1.20 -4.93 116.66 112.04 3hs0 n ARG 931 Ca -0.00 0.68 -0.41 0.00 -0.92 0.00 0.00 57.85 57.19 3hs0 n ARG 931 Cb 0.17 -2.43 -0.01 0.00 0.45 0.00 0.00 32.46 30.64 3hs0 n ARG 931 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hs0 s VAL 932 N 1.89 2.17 0.41 5.15 1.01 -1.26 -4.97 120.40 124.81 3hs0 s VAL 932 Ca 0.85 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 3hs0 s VAL 932 Cb -0.77 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3hs0 s VAL 932 CO 0.46 0.03 1.07 -2.84 0.00 0.00 0.00 175.10 173.82 3hs0 s PRO 933 N -1.33 4.08 0.00 2.72 0.02 -1.26 -3.73 135.00 135.50 3hs0 s PRO 933 Ca 0.57 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.13 3hs0 s PRO 933 Cb -0.46 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3hs0 s PRO 933 CO 0.55 -0.22 0.00 -0.25 -0.33 0.00 0.00 177.00 176.75 3hs0 n ASP 934 N -0.20 0.00 -4.73 2.53 8.00 -1.26 -5.01 116.55 115.88 3hs0 n ASP 934 Ca 0.06 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 3hs0 n ASP 934 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 3hs0 n ASP 934 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hs0 s THR 935 N -3.11 4.92 0.55 -3.53 -4.23 -1.24 -5.02 115.64 103.97 3hs0 s THR 935 Ca 0.00 1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 61.82 3hs0 s THR 935 Cb 0.00 -4.06 -0.07 0.00 1.34 0.00 0.00 72.50 69.70 3hs0 s THR 935 CO 0.00 0.31 0.86 -0.62 -0.54 0.00 0.00 174.62 174.63 3hs0 n GLU 936 N 3.33 0.91 -4.58 3.99 1.02 -1.26 -5.02 120.64 119.02 3hs0 n GLU 936 Ca -0.02 0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 57.17 3hs0 n GLU 936 Cb 0.51 -2.01 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 3hs0 n GLU 936 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hs0 s ILE 937 N -1.51 2.42 -0.07 -3.67 1.01 -1.26 -5.13 121.20 112.99 3hs0 s ILE 937 Ca 0.71 -1.50 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hs0 s ILE 937 Cb -0.46 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3hs0 s ILE 937 CO 0.51 0.22 -0.04 -0.70 0.00 0.00 0.00 174.94 174.94 3hs0 s GLU 938 N -1.71 0.95 -0.13 2.79 2.56 -1.26 -5.13 118.70 116.78 3hs0 s GLU 938 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.97 55.03 3hs0 s GLU 938 Cb -0.10 -1.11 -0.03 0.00 2.00 0.00 0.00 34.13 34.89 3hs0 s GLU 938 CO 0.05 -0.22 -0.06 0.99 -0.56 0.00 0.00 175.26 175.47 3hs0 s THR 939 N 1.56 3.76 -0.14 -1.70 2.01 -1.26 -5.09 115.64 114.78 3hs0 s THR 939 Ca -0.00 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.57 3hs0 s THR 939 Cb -0.13 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3hs0 s THR 939 CO -0.04 0.53 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.74 3hs0 s LYS 940 N -0.01 3.32 -0.30 4.92 1.02 -1.26 -5.10 119.74 122.33 3hs0 s LYS 940 Ca 0.00 -0.71 -0.06 0.00 0.02 0.00 0.00 55.97 55.22 3hs0 s LYS 940 Cb -0.13 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3hs0 s LYS 940 CO 0.03 0.14 0.07 0.42 -0.92 0.00 0.00 175.35 175.09 3hs0 s ILE 941 N 0.52 3.76 -0.19 2.17 1.01 -1.26 -5.09 121.20 122.12 3hs0 s ILE 941 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3hs0 s ILE 941 Cb -0.16 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 3hs0 s ILE 941 CO 0.04 0.01 -0.07 -0.63 0.00 0.00 0.00 174.94 174.29 3hs0 s ILE 942 N 1.44 3.23 -0.22 2.92 1.09 -1.26 -5.10 121.20 123.30 3hs0 s ILE 942 Ca 0.01 -0.56 -0.09 0.00 -1.10 0.00 0.00 60.65 58.91 3hs0 s ILE 942 Cb -0.18 -2.43 -0.04 0.00 -1.06 0.00 0.00 42.46 38.74 3hs0 s ILE 942 CO 0.02 0.46 0.10 -0.63 -0.10 0.00 0.00 174.94 174.79 3hs0 s ILE 943 N 1.16 4.93 -0.24 2.92 -1.09 -1.26 -5.08 121.20 122.54 3hs0 s ILE 943 Ca 0.02 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 3hs0 s ILE 943 Cb -0.14 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.53 3hs0 s ILE 943 CO -0.02 0.39 -0.03 -1.10 -1.23 0.00 0.00 174.94 172.94 3hs0 s GLN 944 N 0.92 1.49 0.88 2.79 -0.21 -1.26 -5.12 119.66 119.14 3hs0 s GLN 944 Ca 0.05 -0.98 -0.13 0.00 0.02 0.00 0.00 55.36 54.33 3hs0 s GLN 944 Cb -0.13 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.39 3hs0 s GLN 944 CO 0.03 -0.64 0.78 0.41 -2.12 0.00 0.00 175.29 173.75 3hs0 n GLY 945 N 4.70 -1.10 3.84 3.09 0.00 -1.26 -4.98 105.19 109.47 3hs0 n GLY 945 Ca -0.11 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3hs0 n GLY 945 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hs0 s ASP 946 N -2.10 6.69 0.00 1.61 1.11 -1.26 -5.26 116.67 117.45 3hs0 s ASP 946 Ca 0.64 0.82 0.00 0.00 0.18 0.00 0.00 52.55 54.19 3hs0 s ASP 946 Cb -0.25 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.53 3hs0 s ASP 946 CO 0.60 0.32 0.08 -2.65 1.18 0.00 0.00 175.17 174.71