#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq0 h ILE 721 N 0.00 1.11 -0.05 -1.33 2.04 -1.98 0.78 117.51 118.07 1hq0 h ILE 721 Ca 0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1hq0 h ILE 721 Cb 0.00 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1hq0 h ILE 721 CO 0.00 0.19 0.02 -0.08 0.00 0.00 0.00 178.15 178.27 1hq0 h GLU 722 N 1.02 0.07 -0.45 2.37 4.81 -1.99 -0.55 114.58 119.87 1hq0 h GLU 722 Ca 0.34 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1hq0 h GLU 722 Cb 0.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1hq0 h GLU 722 CO -0.13 0.22 -0.20 0.66 -0.73 0.00 0.00 179.01 178.83 1hq0 h SER 723 N -0.09 0.96 -0.61 1.04 4.64 -1.94 -2.06 113.55 115.49 1hq0 h SER 723 Ca 0.02 -0.40 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 1hq0 h SER 723 Cb 0.18 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1hq0 h SER 723 CO -0.00 1.15 0.08 0.74 -0.87 0.00 0.00 176.83 177.93 1hq0 h THR 724 N 0.78 1.26 -0.25 2.95 2.02 -0.84 -1.98 112.91 116.84 1hq0 h THR 724 Ca 0.10 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 1hq0 h THR 724 Cb 0.78 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1hq0 h THR 724 CO 0.06 0.39 -0.25 0.28 0.37 0.00 0.00 175.52 176.37 1hq0 h SER 725 N 0.98 0.49 -0.46 4.18 0.02 -0.97 -0.34 113.55 117.44 1hq0 h SER 725 Ca 0.19 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1hq0 h SER 725 Cb 0.45 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1hq0 h SER 725 CO 0.02 0.73 -0.17 0.50 -1.14 0.00 0.00 176.83 176.76 1hq0 h LYS 726 N 0.43 0.93 -0.73 3.45 3.64 -1.15 -1.90 116.57 121.25 1hq0 h LYS 726 Ca 0.06 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 1hq0 h LYS 726 Cb 0.66 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1hq0 h LYS 726 CO 0.05 1.04 0.22 1.03 -2.27 0.00 0.00 179.45 179.53 1hq0 h SER 727 N 0.77 1.05 -0.61 4.20 0.87 -1.02 -1.71 113.55 117.10 1hq0 h SER 727 Ca 0.11 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1hq0 h SER 727 Cb 0.74 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1hq0 h SER 727 CO 0.06 0.98 0.39 0.78 -0.53 0.00 0.00 176.83 178.51 1hq0 h ASN 728 N 1.08 0.72 -0.43 6.23 -0.26 -0.84 -2.37 115.58 119.71 1hq0 h ASN 728 Ca 0.23 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1hq0 h ASN 728 Cb 0.31 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1hq0 h ASN 728 CO -0.01 0.54 0.18 0.15 -1.06 0.00 0.00 177.43 177.23 1hq0 h PHE 729 N 0.83 0.65 -0.78 1.19 3.04 -0.88 -1.86 116.94 119.12 1hq0 h PHE 729 Ca 0.22 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 1hq0 h PHE 729 Cb -0.06 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.21 1hq0 h PHE 729 CO -0.03 0.55 0.48 1.96 -2.02 0.00 0.00 178.31 179.26 1hq0 h GLN 730 N 0.55 1.05 -0.44 1.11 4.20 -1.12 0.37 115.11 120.84 1hq0 h GLN 730 Ca 0.14 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1hq0 h GLN 730 Cb 0.17 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1hq0 h GLN 730 CO -0.01 0.73 -0.13 0.87 -0.67 0.00 0.00 178.83 179.61 1hq0 h LYS 731 N 1.08 0.87 -0.25 1.46 1.57 -1.22 -2.87 116.57 117.22 1hq0 h LYS 731 Ca 0.28 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1hq0 h LYS 731 Cb -0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1hq0 h LYS 731 CO -0.06 0.99 -0.08 1.25 -0.57 0.00 0.00 179.45 180.98 1hq0 h LEU 732 N 0.71 0.50 -1.05 2.94 5.85 -0.63 -0.95 115.31 122.67 1hq0 h LEU 732 Ca 0.11 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1hq0 h LEU 732 Cb 0.68 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1hq0 h LEU 732 CO 0.05 0.76 0.00 -1.54 -0.34 0.00 0.00 178.44 177.37 1hq0 n SER 733 N -4.53 0.48 -1.26 1.25 3.41 0.12 -0.57 113.62 112.52 1hq0 n SER 733 Ca -0.04 0.70 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1hq0 n SER 733 Cb 0.31 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.79 1hq0 n SER 733 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hq0 n ARG 734 N -2.12 3.10 -0.98 4.33 5.12 -1.09 -4.69 116.66 120.34 1hq0 n ARG 734 Ca -0.00 -2.62 0.00 0.00 -1.93 0.00 0.00 57.85 53.29 1hq0 n ARG 734 Cb 0.07 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 1hq0 n ARG 734 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hq0 n GLY 735 N 1.14 0.48 3.60 -0.13 0.00 0.26 -4.96 105.19 105.57 1hq0 n GLY 735 Ca 0.22 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1hq0 n GLY 735 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hq0 s ASN 736 N -2.28 6.63 0.00 1.61 3.84 -0.38 -4.91 114.94 119.45 1hq0 s ASN 736 Ca 0.00 0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.84 1hq0 s ASN 736 Cb 0.00 -2.43 0.79 0.00 -0.55 0.00 0.00 41.25 39.05 1hq0 s ASN 736 CO 0.00 -0.79 1.59 0.00 -2.79 0.00 0.00 177.10 175.11 1hq0 n ILE 737 N 5.87 0.00 0.31 -5.21 3.06 -1.26 -3.98 119.36 118.15 1hq0 n ILE 737 Ca 0.05 -0.29 0.20 0.00 -2.50 0.00 0.00 62.75 60.21 1hq0 n ILE 737 Cb 0.48 0.73 0.95 0.00 0.54 0.00 0.00 39.64 42.34 1hq0 n ILE 737 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1hq0 h ASP 738 N 2.70 0.00 0.40 9.51 3.45 -1.94 -2.14 116.42 128.39 1hq0 h ASP 738 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1hq0 h ASP 738 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1hq0 h ASP 738 CO 0.00 0.01 0.00 1.62 -1.57 0.00 0.00 179.24 179.30 1hq0 h VAL 739 N 0.00 0.00 0.00 -1.35 3.04 -1.95 -2.41 116.25 113.58 1hq0 h VAL 739 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1hq0 h VAL 739 Cb 0.26 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1hq0 h VAL 739 CO 0.00 0.00 -1.53 0.18 -1.01 0.00 0.00 177.57 175.22 1hq0 n LEU 740 N -2.41 0.37 -4.69 3.16 4.77 -0.80 -4.91 117.00 112.48 1hq0 n LEU 740 Ca 0.00 -0.20 -0.44 0.00 -0.03 0.00 0.00 56.01 55.34 1hq0 n LEU 740 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1hq0 n LEU 740 CO 0.16 0.09 1.38 0.29 -1.33 0.00 0.00 177.39 177.99 1hq0 n LYS 741 N -1.91 2.59 -1.14 3.23 5.02 -0.91 -2.98 118.16 122.06 1hq0 n LYS 741 Ca -0.01 0.94 -0.05 0.00 -2.02 0.00 0.00 58.31 57.17 1hq0 n LYS 741 Cb 0.44 -2.78 -0.02 0.00 -0.02 0.00 0.00 35.03 32.64 1hq0 n LYS 741 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hq0 n GLY 742 N 3.97 0.54 1.66 0.72 0.00 -1.26 -4.86 105.19 105.96 1hq0 n GLY 742 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1hq0 n GLY 742 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hq0 n ARG 743 N -0.39 4.29 0.00 1.61 1.74 -1.16 -4.90 116.66 117.84 1hq0 n ARG 743 Ca -0.05 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1hq0 n ARG 743 Cb 0.47 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1hq0 n ARG 743 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hq0 n GLY 744 N 0.64 -2.11 3.85 -0.13 0.00 -1.26 -3.99 105.19 102.20 1hq0 n GLY 744 Ca 0.26 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1hq0 n GLY 744 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hq0 s SER 745 N -3.95 6.70 -0.32 1.61 1.04 -0.88 -5.00 113.70 112.91 1hq0 s SER 745 Ca 0.00 1.36 -0.08 0.00 0.48 0.00 0.00 55.95 57.71 1hq0 s SER 745 Cb 0.00 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.72 1hq0 s SER 745 CO 0.00 -0.35 0.12 -0.63 0.98 0.00 0.00 173.24 173.36 1hq0 s ILE 746 N -2.24 4.19 -0.29 -1.02 1.01 -1.26 -4.45 121.20 117.14 1hq0 s ILE 746 Ca 0.55 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1hq0 s ILE 746 Cb -0.10 -3.21 0.11 0.00 0.01 0.00 0.00 42.46 39.26 1hq0 s ILE 746 CO 0.23 -0.01 0.74 -0.55 0.00 0.00 0.00 174.94 175.36 1hq0 s SER 747 N 1.52 -0.90 -0.01 3.58 0.15 -1.01 -3.91 113.70 113.12 1hq0 s SER 747 Ca 0.02 1.38 -0.15 0.00 0.70 0.00 0.00 55.95 57.91 1hq0 s SER 747 Cb -0.18 1.57 0.02 0.00 -1.71 0.00 0.00 66.02 65.73 1hq0 s SER 747 CO 0.04 -0.21 0.30 -0.55 1.20 0.00 0.00 173.24 174.02 1hq0 s SER 748 N 1.90 -0.18 0.00 5.45 0.15 -1.25 -2.26 113.70 117.51 1hq0 s SER 748 Ca -0.09 0.06 0.19 0.00 0.70 0.00 0.00 55.95 56.81 1hq0 s SER 748 Cb -0.06 0.31 0.52 0.00 -1.71 0.00 0.00 66.02 65.08 1hq0 s SER 748 CO -0.19 -0.45 1.43 0.35 1.20 0.00 0.00 173.24 175.57 1hq0 n THR 749 N 1.24 0.54 -1.87 6.45 -2.24 -1.26 -4.96 114.28 112.19 1hq0 n THR 749 Ca -0.22 -0.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 1hq0 n THR 749 Cb 0.56 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.33 1hq0 n THR 749 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hq0 s ARG 750 N -1.46 2.77 -0.16 -0.78 0.52 -1.26 -4.87 118.95 113.71 1hq0 s ARG 750 Ca 0.35 1.80 -0.01 0.00 -0.52 0.00 0.00 55.73 57.35 1hq0 s ARG 750 Cb 0.19 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.80 1hq0 s ARG 750 CO 0.26 -1.36 -0.01 -1.14 0.02 0.00 0.00 175.30 173.07 1hq0 s GLN 751 N -3.50 1.01 -0.01 3.54 2.00 -1.26 -4.40 119.66 117.04 1hq0 s GLN 751 Ca 0.77 -0.39 -0.01 0.00 -2.00 0.00 0.00 55.36 53.74 1hq0 s GLN 751 Cb -0.30 -1.87 0.01 0.00 0.80 0.00 0.00 33.01 31.64 1hq0 s GLN 751 CO 0.36 -0.49 0.02 0.50 -0.50 0.00 0.00 175.29 175.18 1hq0 s ARG 752 N 1.77 0.01 0.51 1.67 3.52 0.11 -3.11 118.95 123.42 1hq0 s ARG 752 Ca 0.01 0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 55.43 1hq0 s ARG 752 Cb -0.15 -0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.14 1hq0 s ARG 752 CO -0.07 -0.03 1.31 0.00 -0.81 0.00 0.00 175.30 175.69 1hq0 s ALA 753 N 0.20 2.92 0.27 6.12 0.00 -1.26 -3.38 121.76 126.62 1hq0 s ALA 753 Ca -0.02 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1hq0 s ALA 753 Cb -0.02 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1hq0 s ALA 753 CO -0.01 -1.13 -0.10 0.96 0.00 0.00 0.00 175.76 175.49 1hq0 s ILE 754 N -1.36 1.80 0.15 0.00 -4.36 -1.26 -4.89 121.20 111.28 1hq0 s ILE 754 Ca 0.68 -2.18 -0.10 0.00 -0.26 0.00 0.00 60.65 58.79 1hq0 s ILE 754 Cb -0.37 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1hq0 s ILE 754 CO 0.45 -0.37 1.49 0.10 0.24 0.00 0.00 174.94 176.84 1hq0 h TYR 755 N 2.32 1.08 -3.44 1.37 -0.00 -1.99 -3.46 116.97 112.85 1hq0 h TYR 755 Ca -0.40 -0.33 -0.52 0.00 0.00 0.00 0.00 58.73 57.48 1hq0 h TYR 755 Cb 1.23 -0.23 0.02 0.00 0.00 0.00 0.00 36.73 37.76 1hq0 h TYR 755 CO 0.71 1.15 0.60 -1.25 -0.00 0.00 0.00 178.16 179.36 1hq0 s PRO 756 N -4.37 4.44 0.29 0.10 0.04 -1.26 -5.01 135.00 129.23 1hq0 s PRO 756 Ca -0.11 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 1hq0 s PRO 756 Cb 0.11 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 1hq0 s PRO 756 CO 0.88 -0.16 0.88 -0.47 0.04 0.00 0.00 177.00 178.17 1hq0 s TYR 757 N 0.03 3.70 0.10 0.56 5.04 -1.26 -5.05 117.35 120.46 1hq0 s TYR 757 Ca 0.55 1.69 -0.25 0.00 -2.44 0.00 0.00 57.07 56.61 1hq0 s TYR 757 Cb -0.34 -2.85 0.07 0.00 0.35 0.00 0.00 41.96 39.19 1hq0 s TYR 757 CO 0.37 0.26 0.64 -0.59 -1.34 0.00 0.00 175.55 174.90 1hq0 s PHE 758 N -1.56 -0.56 0.15 4.97 -0.12 -1.26 -4.56 117.98 115.04 1hq0 s PHE 758 Ca 0.47 0.53 0.06 0.00 -0.05 0.00 0.00 56.93 57.94 1hq0 s PHE 758 Cb -0.19 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1hq0 s PHE 758 CO 0.24 -0.77 0.08 -1.21 -0.05 0.00 0.00 175.22 173.50 1hq0 s GLU 759 N -3.05 2.71 0.09 1.99 2.02 -0.54 -4.64 118.70 117.29 1hq0 s GLU 759 Ca -0.02 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.07 1hq0 s GLU 759 Cb -0.01 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1hq0 s GLU 759 CO -0.07 0.49 -0.08 0.00 0.02 0.00 0.00 175.26 175.62 1hq0 s ALA 760 N -1.67 0.98 0.03 5.21 0.00 -0.52 -0.86 121.76 124.93 1hq0 s ALA 760 Ca 0.29 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1hq0 s ALA 760 Cb -0.10 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1hq0 s ALA 760 CO 0.21 -0.16 0.39 0.00 0.00 0.00 0.00 175.76 176.20 1hq0 s ALA 761 N -3.04 -0.95 0.01 0.00 0.00 -0.10 0.09 121.76 117.76 1hq0 s ALA 761 Ca 0.08 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1hq0 s ALA 761 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1hq0 s ALA 761 CO -0.03 -0.41 -0.07 1.21 0.00 0.00 0.00 175.76 176.46 1hq0 s ASN 762 N -1.84 0.85 -0.19 0.00 3.84 0.71 -1.13 114.94 117.17 1hq0 s ASN 762 Ca -0.07 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 52.76 1hq0 s ASN 762 Cb -0.02 -0.07 0.06 0.00 -0.55 0.00 0.00 41.25 40.68 1hq0 s ASN 762 CO -0.01 0.03 0.04 0.00 -2.79 0.00 0.00 177.10 174.38 1hq0 s ALA 763 N -0.40 0.91 -0.08 1.71 0.00 -0.85 -1.11 121.76 121.94 1hq0 s ALA 763 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.38 1hq0 s ALA 763 Cb -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1hq0 s ALA 763 CO -0.00 -1.15 -0.20 0.34 0.00 0.00 0.00 175.76 174.75 1hq0 s ASP 764 N 1.90 3.49 -1.31 0.00 3.68 -0.27 -1.80 116.67 122.35 1hq0 s ASP 764 Ca -0.00 -0.41 -0.08 0.00 2.13 0.00 0.00 52.55 54.19 1hq0 s ASP 764 Cb -0.17 -1.09 0.14 0.00 -1.45 0.00 0.00 42.92 40.35 1hq0 s ASP 764 CO -0.08 0.24 2.10 1.21 0.13 0.00 0.00 175.17 178.77 1hq0 n GLU 765 N 3.02 3.96 -3.95 4.34 4.07 0.63 -2.21 120.64 130.50 1hq0 n GLU 765 Ca -0.18 -3.44 -0.27 0.00 -0.06 0.00 0.00 57.16 53.21 1hq0 n GLU 765 Cb 0.52 -2.82 -0.01 0.00 -0.06 0.00 0.00 31.44 29.07 1hq0 n GLU 765 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hq0 n GLN 766 N 3.12 0.72 -4.05 5.31 10.64 -1.26 -4.91 117.38 126.95 1hq0 n GLN 766 Ca 0.49 -3.40 -0.33 0.00 -1.83 0.00 0.00 57.00 51.94 1hq0 n GLN 766 Cb 0.32 0.49 -0.15 0.00 -0.86 0.00 0.00 30.24 30.04 1hq0 n GLN 766 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1hq0 s GLN 767 N -4.10 2.61 0.92 2.61 1.11 -1.26 -1.54 119.66 120.02 1hq0 s GLN 767 Ca 0.23 -1.10 -0.12 0.00 0.01 0.00 0.00 55.36 54.38 1hq0 s GLN 767 Cb -0.02 -2.83 0.14 0.00 -1.01 0.00 0.00 33.01 29.29 1hq0 s GLN 767 CO 0.15 -0.43 1.10 -2.14 0.01 0.00 0.00 175.29 173.98 1hq0 s PRO 768 N 1.22 1.09 0.62 2.91 0.02 -1.26 -5.11 135.00 134.49 1hq0 s PRO 768 Ca -0.03 0.58 -0.17 0.00 0.02 0.00 0.00 61.00 61.40 1hq0 s PRO 768 Cb -0.17 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1hq0 s PRO 768 CO -0.07 -2.29 1.17 -0.51 -0.33 0.00 0.00 177.00 174.97 1hq0 s LEU 769 N -6.19 3.56 -0.02 -5.54 1.43 -0.59 -4.99 118.68 106.34 1hq0 s LEU 769 Ca 0.64 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 56.04 1hq0 s LEU 769 Cb -0.17 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.46 1hq0 s LEU 769 CO 0.56 -1.66 -0.12 0.12 0.23 0.00 0.00 176.35 175.48 1hq0 s PHE 770 N -1.85 1.18 0.00 0.29 5.36 -0.94 -4.93 117.98 117.09 1hq0 s PHE 770 Ca 0.74 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 1hq0 s PHE 770 Cb -0.27 -0.79 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 1hq0 s PHE 770 CO 0.36 -0.07 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.95 1hq0 s PHE 771 N -0.09 0.40 -0.04 10.12 0.40 -1.26 -1.11 117.98 126.38 1hq0 s PHE 771 Ca 0.01 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1hq0 s PHE 771 Cb -0.07 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.23 1hq0 s PHE 771 CO 0.00 -0.02 0.11 -0.47 0.70 0.00 0.00 175.22 175.54 1hq0 s TYR 772 N -0.31 -0.11 -0.11 0.36 5.04 -0.27 -4.98 117.35 116.98 1hq0 s TYR 772 Ca -0.01 0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1hq0 s TYR 772 Cb -0.03 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.25 1hq0 s TYR 772 CO -0.00 -0.10 -0.18 0.42 -1.34 0.00 0.00 175.55 174.35 1hq0 s ILE 773 N 0.59 1.68 -0.31 3.14 1.01 -1.26 -0.21 121.20 125.84 1hq0 s ILE 773 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1hq0 s ILE 773 Cb -0.06 -1.50 0.08 0.00 0.01 0.00 0.00 42.46 40.99 1hq0 s ILE 773 CO -0.03 0.48 0.00 -0.75 0.00 0.00 0.00 174.94 174.64 1hq0 s LYS 774 N 0.80 1.91 -0.78 2.79 2.20 0.11 -4.97 119.74 121.81 1hq0 s LYS 774 Ca -0.10 -1.61 0.02 0.00 -0.36 0.00 0.00 55.97 53.92 1hq0 s LYS 774 Cb -0.16 -3.12 0.33 0.00 -1.51 0.00 0.00 37.83 33.37 1hq0 s LYS 774 CO 0.01 -0.78 1.32 1.63 -0.36 0.00 0.00 175.35 177.17 1hq0 n LYS 775 N 4.39 4.18 -3.90 4.03 5.02 -1.26 -1.44 118.16 129.18 1hq0 n LYS 775 Ca -0.05 -4.78 -0.09 0.00 -2.02 0.00 0.00 58.31 51.37 1hq0 n LYS 775 Cb 0.42 -2.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.02 1hq0 n LYS 775 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1hq0 s ASP 776 N -2.53 0.05 0.21 4.39 -1.08 -1.26 -5.09 116.67 111.35 1hq0 s ASP 776 Ca 0.44 -0.75 -0.06 0.00 -0.52 0.00 0.00 52.55 51.65 1hq0 s ASP 776 Cb 0.23 0.40 -0.06 0.00 -1.46 0.00 0.00 42.92 42.04 1hq0 s ASP 776 CO -0.13 -0.83 0.48 -0.13 0.52 0.00 0.00 175.17 175.07 1hq0 s ARG 777 N -3.92 3.68 -0.19 4.34 0.52 -1.26 -4.89 118.95 117.24 1hq0 s ARG 777 Ca 0.12 0.05 -0.25 0.00 -0.52 0.00 0.00 55.73 55.13 1hq0 s ARG 777 Cb 0.04 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 1hq0 s ARG 777 CO -0.05 0.36 0.81 -0.06 0.02 0.00 0.00 175.30 176.38 1hq0 s PHE 778 N -1.81 3.39 0.63 -0.53 0.40 -1.26 -5.05 117.98 113.75 1hq0 s PHE 778 Ca 0.44 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.94 1hq0 s PHE 778 Cb -0.11 -3.00 0.05 0.00 0.51 0.00 0.00 43.02 40.46 1hq0 s PHE 778 CO 0.25 -0.27 0.90 -0.51 0.70 0.00 0.00 175.22 176.28 1hq0 s ASP 779 N 1.20 5.03 0.59 1.36 1.01 -1.26 -4.29 116.67 120.32 1hq0 s ASP 779 Ca 0.37 0.21 -0.18 0.00 0.71 0.00 0.00 52.55 53.66 1hq0 s ASP 779 Cb -0.16 -0.98 -0.03 0.00 1.01 0.00 0.00 42.92 42.76 1hq0 s ASP 779 CO 0.11 -1.38 1.15 0.20 0.21 0.00 0.00 175.17 175.46 1hq0 s ASN 780 N -4.48 5.35 -0.24 0.27 0.01 -1.26 -4.25 114.94 110.35 1hq0 s ASN 780 Ca 0.59 2.19 -0.21 0.00 -0.71 0.00 0.00 52.86 54.72 1hq0 s ASN 780 Cb -0.10 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.01 1hq0 s ASN 780 CO 0.42 -1.47 0.35 0.00 -1.51 0.00 0.00 177.10 174.88 1hq0 n HIS 781 N -1.73 -1.41 0.00 2.20 1.44 -1.18 -4.96 115.22 109.58 1hq0 n HIS 781 Ca 0.12 0.59 0.00 0.00 -2.01 0.00 0.00 57.72 56.42 1hq0 n HIS 781 Cb 0.51 -1.24 0.00 0.00 0.12 0.00 0.00 29.99 29.37 1hq0 n HIS 781 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1hq0 n GLY 782 N 0.37 0.73 3.85 -1.39 0.00 -1.26 -5.14 105.19 102.35 1hq0 n GLY 782 Ca -0.05 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1hq0 n GLY 782 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hq0 s TYR 783 N 0.00 3.13 -0.25 1.61 4.12 -1.26 -4.63 117.35 120.06 1hq0 s TYR 783 Ca 0.00 1.11 -0.10 0.00 0.02 0.00 0.00 57.07 58.10 1hq0 s TYR 783 Cb 0.00 -3.07 -0.05 0.00 -1.52 0.00 0.00 41.96 37.32 1hq0 s TYR 783 CO 0.00 -1.40 0.15 0.34 0.02 0.00 0.00 175.55 174.66 1hq0 s ASP 784 N -4.15 5.89 0.54 2.29 -1.08 -1.26 -4.97 116.67 113.93 1hq0 s ASP 784 Ca 0.59 0.01 0.36 0.00 -0.52 0.00 0.00 52.55 52.99 1hq0 s ASP 784 Cb -0.12 -2.07 1.90 0.00 -1.46 0.00 0.00 42.92 41.16 1hq0 s ASP 784 CO 0.53 0.01 2.11 0.06 0.52 0.00 0.00 175.17 178.40 1hq0 h GLN 785 N 7.93 0.00 -0.02 4.34 3.07 -1.96 -1.14 115.11 127.33 1hq0 h GLN 785 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1hq0 h GLN 785 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1hq0 h GLN 785 CO 0.60 0.00 -0.01 0.66 0.09 0.00 0.00 178.83 180.17 1hq0 n TYR 786 N -2.83 0.00 -2.80 0.06 4.01 -1.26 -3.72 117.16 110.63 1hq0 n TYR 786 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1hq0 n TYR 786 Cb 0.10 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1hq0 n TYR 786 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hq0 n PHE 787 N 0.47 2.14 -3.81 -0.72 0.99 -0.43 -4.97 117.46 111.12 1hq0 n PHE 787 Ca 0.17 -3.37 -0.12 0.00 -0.00 0.00 0.00 57.45 54.13 1hq0 n PHE 787 Cb 0.42 -0.33 -0.09 0.00 -1.00 0.00 0.00 39.48 38.48 1hq0 n PHE 787 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1hq0 s TYR 788 N -3.15 -0.06 -0.28 1.38 6.14 -1.21 -0.95 117.35 119.23 1hq0 s TYR 788 Ca 0.40 0.02 -0.02 0.00 0.64 0.00 0.00 57.07 58.11 1hq0 s TYR 788 Cb 0.38 0.02 0.09 0.00 0.42 0.00 0.00 41.96 42.88 1hq0 s TYR 788 CO -0.09 -0.37 0.09 0.34 0.64 0.00 0.00 175.55 176.16 1hq0 s ASP 789 N -1.52 3.72 0.00 4.32 -1.08 0.37 -4.84 116.67 117.65 1hq0 s ASP 789 Ca -0.12 -1.41 0.15 0.00 -0.52 0.00 0.00 52.55 50.65 1hq0 s ASP 789 Cb -0.05 -0.73 0.90 0.00 -1.46 0.00 0.00 42.92 41.58 1hq0 s ASP 789 CO 0.02 -0.39 1.44 0.59 0.52 0.00 0.00 175.17 177.35 1hq0 n ASN 790 N 4.95 0.00 0.04 -0.34 4.13 -1.26 -1.26 115.26 121.52 1hq0 n ASN 790 Ca -0.04 -1.15 0.13 0.00 1.68 0.00 0.00 54.58 55.20 1hq0 n ASN 790 Cb 0.43 0.00 0.49 0.00 -1.54 0.00 0.00 39.78 39.16 1hq0 n ASN 790 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1hq0 n THR 791 N -0.79 0.24 -3.89 3.41 -1.04 -1.26 -4.21 114.28 106.74 1hq0 n THR 791 Ca 0.11 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1hq0 n THR 791 Cb 0.05 -0.47 -0.14 0.00 -1.82 0.00 0.00 70.33 67.96 1hq0 n THR 791 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1hq0 s VAL 792 N -3.05 3.31 0.00 12.58 1.01 -1.22 -4.98 120.40 128.05 1hq0 s VAL 792 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1hq0 s VAL 792 Cb 0.16 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1hq0 s VAL 792 CO 0.58 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1hq0 n GLY 793 N 4.76 -1.93 0.27 4.51 0.00 -1.26 -1.48 105.19 110.05 1hq0 n GLY 793 Ca -0.17 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.42 1hq0 n GLY 793 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hq0 h PRO 794 N 0.00 0.00 0.00 1.61 0.11 -1.96 -2.83 132.00 128.93 1hq0 h PRO 794 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1hq0 h PRO 794 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1hq0 h PRO 794 CO 0.00 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.06 1hq0 n ASN 795 N -2.43 0.00 0.00 -2.05 0.23 -1.26 -5.16 115.26 104.59 1hq0 n ASN 795 Ca -0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 1hq0 n ASN 795 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1hq0 n ASN 795 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hq0 n GLY 796 N 0.00 -0.84 3.18 4.83 0.00 -0.55 -4.82 105.19 106.99 1hq0 n GLY 796 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 1hq0 n GLY 796 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hq0 s ILE 797 N -1.47 0.11 0.56 -0.61 -4.36 -0.39 -4.84 121.20 110.19 1hq0 s ILE 797 Ca 0.00 -0.88 -0.18 0.00 -0.26 0.00 0.00 60.65 59.34 1hq0 s ILE 797 Cb 0.00 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.77 1hq0 s ILE 797 CO 0.00 -0.48 1.07 -2.16 0.24 0.00 0.00 174.94 173.61 1hq0 s PRO 798 N -2.50 3.42 0.00 0.37 0.04 -1.26 -0.48 135.00 134.60 1hq0 s PRO 798 Ca -0.06 1.36 0.14 0.00 0.04 0.00 0.00 61.00 62.48 1hq0 s PRO 798 Cb -0.01 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1hq0 s PRO 798 CO -0.04 -0.75 0.82 0.25 0.04 0.00 0.00 177.00 177.32 1hq0 n THR 799 N -1.59 0.00 -3.65 1.26 -2.24 -0.13 -4.80 114.28 103.13 1hq0 n THR 799 Ca 0.10 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 1hq0 n THR 799 Cb 0.52 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1hq0 n THR 799 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1hq0 s LEU 800 N -1.64 -1.00 0.11 3.22 0.20 -1.24 -0.15 118.68 118.18 1hq0 s LEU 800 Ca 0.13 1.46 -0.19 0.00 0.69 0.00 0.00 54.13 56.22 1hq0 s LEU 800 Cb 0.11 2.15 0.05 0.00 -0.43 0.00 0.00 46.19 48.07 1hq0 s LEU 800 CO 0.29 -0.22 0.46 0.54 -0.29 0.00 0.00 176.35 177.13 1hq0 s ASN 801 N 2.54 -0.34 0.12 3.68 4.22 -0.65 -4.82 114.94 119.69 1hq0 s ASN 801 Ca -0.06 -0.14 0.11 0.00 -2.14 0.00 0.00 52.86 50.62 1hq0 s ASN 801 Cb -0.10 0.50 -0.04 0.00 1.28 0.00 0.00 41.25 42.88 1hq0 s ASN 801 CO -0.18 -0.84 -0.26 0.42 -2.04 0.00 0.00 177.10 174.20 1hq0 s THR 802 N -3.43 2.28 0.21 0.54 -4.23 -1.26 -0.34 115.64 109.40 1hq0 s THR 802 Ca 0.00 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.58 1hq0 s THR 802 Cb 0.01 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.90 1hq0 s THR 802 CO -0.10 0.12 0.87 -0.72 -0.54 0.00 0.00 174.62 174.26 1hq0 s TYR 803 N -1.04 -0.14 0.32 3.99 -0.85 -0.57 0.09 117.35 119.16 1hq0 s TYR 803 Ca 0.14 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 1hq0 s TYR 803 Cb -0.10 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 1hq0 s TYR 803 CO 0.06 -1.00 0.49 0.95 -1.52 0.00 0.00 175.55 174.53 1hq0 s THR 804 N -3.45 4.87 -2.00 -3.49 -4.23 -1.26 -0.43 115.64 105.65 1hq0 s THR 804 Ca 0.12 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1hq0 s THR 804 Cb -0.03 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.41 1hq0 s THR 804 CO 0.04 -0.40 1.18 0.61 -0.54 0.00 0.00 174.62 175.52 1hq0 n GLY 805 N -1.68 -0.55 0.30 3.99 0.00 0.15 -3.75 105.19 103.66 1hq0 n GLY 805 Ca -0.05 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.09 1hq0 n GLY 805 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1hq0 h GLU 806 N 0.00 0.00 -2.08 1.61 9.09 -1.81 -0.93 114.58 120.46 1hq0 h GLU 806 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.95 1hq0 h GLU 806 Cb 0.00 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 26.77 1hq0 h GLU 806 CO 0.00 0.01 -0.79 0.42 0.05 0.00 0.00 179.01 178.70 1hq0 s ILE 807 N -3.93 -0.10 0.26 -1.06 1.01 -1.25 -4.72 121.20 111.42 1hq0 s ILE 807 Ca -0.02 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 58.90 1hq0 s ILE 807 Cb 0.11 -0.86 0.14 0.00 0.01 0.00 0.00 42.46 41.85 1hq0 s ILE 807 CO 0.49 -0.81 1.79 -0.65 0.00 0.00 0.00 174.94 175.75 1hq0 h PRO 808 N 6.28 0.84 -4.78 2.79 0.11 -1.72 -3.45 132.00 132.07 1hq0 h PRO 808 Ca 0.13 -0.20 -0.30 0.00 0.11 0.00 0.00 66.00 65.75 1hq0 h PRO 808 Cb 1.00 -0.12 -0.20 0.00 0.11 0.00 0.00 31.00 31.79 1hq0 h PRO 808 CO 0.24 0.79 -0.74 -1.12 -0.21 0.00 0.00 178.00 176.97 1hq0 s SER 809 N -6.59 1.14 0.10 -2.05 0.01 -1.14 -2.40 113.70 102.75 1hq0 s SER 809 Ca -0.10 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1hq0 s SER 809 Cb 0.15 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 1hq0 s SER 809 CO 0.81 -0.22 0.05 -0.90 0.41 0.00 0.00 173.24 173.39 1hq0 n ASP 810 N 1.12 0.66 0.00 2.44 5.68 -0.96 -4.41 116.55 121.07 1hq0 n ASP 810 Ca -0.20 -1.54 0.03 0.00 -0.50 0.00 0.00 54.79 52.58 1hq0 n ASP 810 Cb 0.56 0.30 0.15 0.00 -1.14 0.00 0.00 41.12 40.99 1hq0 n ASP 810 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1hq0 n SER 811 N -2.15 0.00 -0.16 -1.12 3.41 -1.26 -1.76 113.62 110.58 1hq0 n SER 811 Ca -0.00 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.03 1hq0 n SER 811 Cb 0.15 -0.35 0.55 0.00 -0.26 0.00 0.00 64.21 64.31 1hq0 n SER 811 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1hq0 n SER 812 N -1.35 0.64 -4.33 4.04 3.41 -1.26 -4.77 113.62 110.00 1hq0 n SER 812 Ca 0.02 -0.68 -0.36 0.00 -0.26 0.00 0.00 58.87 57.60 1hq0 n SER 812 Cb 0.05 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1hq0 n SER 812 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hq0 s SER 813 N -2.46 4.55 0.32 4.04 0.15 -0.72 -4.99 113.70 114.59 1hq0 s SER 813 Ca 0.28 -0.44 0.20 0.00 0.70 0.00 0.00 55.95 56.69 1hq0 s SER 813 Cb 0.20 -1.78 0.16 0.00 -1.71 0.00 0.00 66.02 62.89 1hq0 s SER 813 CO 0.48 -0.05 1.41 -0.07 1.20 0.00 0.00 173.24 176.20 1hq0 h LEU 814 N 8.14 0.00 -1.70 3.45 3.38 -1.86 -3.28 115.31 123.44 1hq0 h LEU 814 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1hq0 h LEU 814 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1hq0 h LEU 814 CO 0.60 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1hq0 n GLY 815 N 1.18 1.17 3.70 0.83 0.00 -1.26 -4.88 105.19 105.92 1hq0 n GLY 815 Ca 0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1hq0 n GLY 815 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hq0 s SER 816 N -0.98 5.74 0.02 1.61 0.01 -1.24 -2.07 113.70 116.79 1hq0 s SER 816 Ca 0.30 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1hq0 s SER 816 Cb 0.16 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1hq0 s SER 816 CO 0.20 0.27 0.00 0.35 0.41 0.00 0.00 173.24 174.47 1hq0 n THR 817 N 2.87 0.03 -0.28 1.44 -2.24 -1.26 -4.83 114.28 110.01 1hq0 n THR 817 Ca -0.18 0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1hq0 n THR 817 Cb 0.53 -0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.45 1hq0 n THR 817 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1hq0 h TYR 818 N 0.00 1.05 0.00 4.78 3.20 -1.94 -2.70 116.97 121.37 1hq0 h TYR 818 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1hq0 h TYR 818 Cb 0.00 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1hq0 h TYR 818 CO 0.00 0.73 0.00 0.91 -1.64 0.00 0.00 178.16 178.16 1hq0 n TRP 819 N -4.45 0.00 0.14 -3.82 5.03 -1.26 -0.97 117.44 112.11 1hq0 n TRP 819 Ca 0.07 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.71 1hq0 n TRP 819 Cb 0.08 -0.02 -0.06 0.00 -1.03 0.00 0.00 31.31 30.28 1hq0 n TRP 819 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1hq0 n LYS 820 N -1.02 0.57 -0.13 -0.99 5.02 -1.02 -2.91 118.16 117.69 1hq0 n LYS 820 Ca 0.16 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 1hq0 n LYS 820 Cb 0.08 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 1hq0 n LYS 820 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1hq0 n LYS 821 N -2.40 0.55 -3.40 1.97 4.81 -0.80 -5.02 118.16 113.87 1hq0 n LYS 821 Ca -0.01 0.24 -0.19 0.00 -0.87 0.00 0.00 58.31 57.48 1hq0 n LYS 821 Cb 0.54 -1.42 -0.01 0.00 0.02 0.00 0.00 35.03 34.16 1hq0 n LYS 821 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1hq0 s TYR 822 N -2.51 2.99 0.11 5.64 1.51 -0.14 -4.98 117.35 119.96 1hq0 s TYR 822 Ca -0.36 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1hq0 s TYR 822 Cb 0.13 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1hq0 s TYR 822 CO 0.45 -0.10 0.09 0.27 -1.11 0.00 0.00 175.55 175.16 1hq0 n ASN 823 N -1.66 -0.23 -0.02 2.29 0.23 -1.26 -4.44 115.26 110.16 1hq0 n ASN 823 Ca 0.02 -1.71 0.03 0.00 -0.53 0.00 0.00 54.58 52.39 1hq0 n ASN 823 Cb 0.59 0.54 0.04 0.00 -2.08 0.00 0.00 39.78 38.87 1hq0 n ASN 823 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hq0 n LEU 824 N 0.00 2.10 -0.56 -4.53 4.77 -0.37 -4.47 117.00 113.94 1hq0 n LEU 824 Ca 0.02 -2.30 0.07 0.00 -0.03 0.00 0.00 56.01 53.78 1hq0 n LEU 824 Cb 0.19 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1hq0 n LEU 824 CO 0.10 0.56 -0.23 0.35 -1.33 0.00 0.00 177.39 176.84 1hq0 n THR 825 N -0.75 -0.26 1.02 -5.08 -2.24 -1.12 -4.21 114.28 101.65 1hq0 n THR 825 Ca 0.04 0.32 0.09 0.00 -2.27 0.00 0.00 64.05 62.24 1hq0 n THR 825 Cb 0.36 -0.51 0.51 0.00 -2.10 0.00 0.00 70.33 68.59 1hq0 n THR 825 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1hq0 n ASN 826 N -3.01 0.00 -0.30 3.42 0.23 -1.26 -2.60 115.26 111.74 1hq0 n ASN 826 Ca -0.03 -0.25 0.15 0.00 -0.53 0.00 0.00 54.58 53.91 1hq0 n ASN 826 Cb 0.27 -0.16 0.65 0.00 -2.08 0.00 0.00 39.78 38.46 1hq0 n ASN 826 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1hq0 n GLU 827 N -1.16 1.36 -3.91 -3.83 -0.58 -1.26 -4.53 120.64 106.73 1hq0 n GLU 827 Ca 0.11 -0.61 -0.35 0.00 -0.42 0.00 0.00 57.16 55.89 1hq0 n GLU 827 Cb 0.11 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.41 1hq0 n GLU 827 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1hq0 s THR 828 N -2.06 5.16 -0.11 2.62 2.01 -1.07 -4.13 115.64 118.06 1hq0 s THR 828 Ca 0.40 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 1hq0 s THR 828 Cb 0.21 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1hq0 s THR 828 CO 0.36 0.51 -0.02 -0.44 -0.69 0.00 0.00 174.62 174.35 1hq0 s SER 829 N -0.15 5.05 -0.03 3.53 0.01 -0.80 0.31 113.70 121.62 1hq0 s SER 829 Ca 0.09 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.44 1hq0 s SER 829 Cb -0.12 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1hq0 s SER 829 CO 0.01 0.29 -0.20 -0.63 0.41 0.00 0.00 173.24 173.12 1hq0 s ILE 830 N -0.38 1.62 -0.21 1.44 1.01 0.43 -0.53 121.20 124.57 1hq0 s ILE 830 Ca 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1hq0 s ILE 830 Cb -0.12 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1hq0 s ILE 830 CO 0.02 0.46 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 1hq0 s ILE 831 N -0.24 2.08 -0.25 2.92 1.01 0.55 -1.51 121.20 125.76 1hq0 s ILE 831 Ca 0.02 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 1hq0 s ILE 831 Cb -0.10 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1hq0 s ILE 831 CO 0.01 0.33 0.17 -0.60 0.00 0.00 0.00 174.94 174.85 1hq0 s ARG 832 N 1.23 4.01 -0.31 2.79 3.52 0.54 -0.31 118.95 130.43 1hq0 s ARG 832 Ca 0.00 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1hq0 s ARG 832 Cb -0.15 -3.57 0.09 0.00 -1.56 0.00 0.00 34.95 29.75 1hq0 s ARG 832 CO -0.10 -0.03 0.01 0.08 -0.81 0.00 0.00 175.30 174.45 1hq0 s VAL 833 N 1.31 1.95 0.61 7.11 1.01 -0.16 -1.63 120.40 130.60 1hq0 s VAL 833 Ca 0.07 -1.92 0.07 0.00 0.00 0.00 0.00 61.98 60.20 1hq0 s VAL 833 Cb -0.14 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 33.99 1hq0 s VAL 833 CO 0.07 -0.43 0.85 -0.55 0.00 0.00 0.00 175.10 175.03 1hq0 s SER 834 N 1.11 4.89 0.66 3.32 0.15 0.78 -4.43 113.70 120.18 1hq0 s SER 834 Ca 0.05 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 55.92 1hq0 s SER 834 Cb -0.19 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1hq0 s SER 834 CO -0.10 -1.48 0.98 0.54 1.20 0.00 0.00 173.24 174.38 1hq0 s ASN 835 N -4.68 5.21 0.69 5.45 4.22 -1.26 -4.23 114.94 120.34 1hq0 s ASN 835 Ca 0.63 0.65 -0.00 0.00 -2.14 0.00 0.00 52.86 51.99 1hq0 s ASN 835 Cb -0.06 -1.45 0.11 0.00 1.28 0.00 0.00 41.25 41.13 1hq0 s ASN 835 CO 0.40 -1.35 0.95 -0.94 -2.04 0.00 0.00 177.10 174.13 1hq0 s SER 836 N -4.41 4.54 0.22 3.54 1.04 -0.84 -4.87 113.70 112.91 1hq0 s SER 836 Ca 0.57 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1hq0 s SER 836 Cb -0.11 -0.20 0.30 0.00 0.10 0.00 0.00 66.02 66.12 1hq0 s SER 836 CO 0.46 -1.72 1.65 0.00 0.98 0.00 0.00 173.24 174.61 1hq0 h ALA 837 N -0.41 0.59 -1.31 5.32 0.00 -1.91 -3.19 119.26 118.35 1hq0 h ALA 837 Ca -0.37 0.21 -0.40 0.00 0.00 0.00 0.00 54.91 54.35 1hq0 h ALA 837 Cb 1.27 0.37 -0.40 0.00 0.00 0.00 0.00 17.79 19.04 1hq0 h ALA 837 CO 0.43 -0.41 -1.20 0.54 0.00 0.00 0.00 179.25 178.62 1hq0 n ARG 838 N -5.32 1.10 -1.89 0.00 1.74 -1.26 -1.57 116.66 109.46 1hq0 n ARG 838 Ca 0.09 -3.30 0.00 0.00 -0.77 0.00 0.00 57.85 53.88 1hq0 n ARG 838 Cb 0.37 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1hq0 n ARG 838 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hq0 n GLY 839 N 0.04 -0.63 3.36 -0.13 0.00 -0.80 -0.27 105.19 106.76 1hq0 n GLY 839 Ca 0.14 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1hq0 n GLY 839 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hq0 s ALA 840 N -1.00 2.25 0.07 4.61 0.00 -0.75 -1.99 121.76 124.95 1hq0 s ALA 840 Ca 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.69 1hq0 s ALA 840 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1hq0 s ALA 840 CO 0.00 0.51 -0.18 -0.80 0.00 0.00 0.00 175.76 175.29 1hq0 s ASN 841 N -1.70 3.84 0.07 0.00 0.01 -0.57 -2.02 114.94 114.57 1hq0 s ASN 841 Ca 0.12 -0.48 -0.16 0.00 -0.71 0.00 0.00 52.86 51.64 1hq0 s ASN 841 Cb -0.10 -0.59 0.03 0.00 0.41 0.00 0.00 41.25 41.00 1hq0 s ASN 841 CO 0.04 0.22 0.36 -0.83 -1.51 0.00 0.00 177.10 175.39 1hq0 s GLY 842 N -1.73 -0.20 0.14 0.66 0.00 -0.29 -0.96 107.32 104.94 1hq0 s GLY 842 Ca 0.16 0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1hq0 s GLY 842 CO 0.07 -0.17 -0.10 -0.26 0.00 0.00 0.00 173.10 172.64 1hq0 s ILE 843 N -2.90 1.12 -0.08 0.90 -4.36 -0.31 -0.93 121.20 114.65 1hq0 s ILE 843 Ca -0.03 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1hq0 s ILE 843 Cb 0.00 -1.79 0.03 0.00 1.25 0.00 0.00 42.46 41.94 1hq0 s ILE 843 CO -0.05 -0.74 -0.02 -0.75 0.24 0.00 0.00 174.94 173.62 1hq0 s LYS 844 N -3.67 0.80 -0.02 0.37 2.20 -0.04 -1.93 119.74 117.45 1hq0 s LYS 844 Ca 0.15 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1hq0 s LYS 844 Cb 0.02 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 1hq0 s LYS 844 CO 0.00 -0.28 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.14 1hq0 s ILE 845 N 1.85 0.62 0.15 5.43 2.07 -0.39 -1.47 121.20 129.46 1hq0 s ILE 845 Ca 0.04 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 1hq0 s ILE 845 Cb -0.12 -0.56 -0.07 0.00 0.13 0.00 0.00 42.46 41.84 1hq0 s ILE 845 CO -0.05 0.20 0.96 0.00 -1.91 0.00 0.00 174.94 174.14 1hq0 s ALA 846 N 0.21 3.27 0.27 1.50 0.00 -1.26 -0.58 121.76 125.17 1hq0 s ALA 846 Ca -0.03 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1hq0 s ALA 846 Cb -0.07 -3.26 0.41 0.00 0.00 0.00 0.00 23.12 20.20 1hq0 s ALA 846 CO 0.00 0.04 1.89 -0.07 0.00 0.00 0.00 175.76 177.61 1hq0 h LEU 847 N 5.15 1.04 0.00 0.00 4.07 -1.69 -2.10 115.31 121.77 1hq0 h LEU 847 Ca -0.44 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1hq0 h LEU 847 Cb 1.21 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1hq0 h LEU 847 CO 0.71 0.67 0.00 -0.62 -1.08 0.00 0.00 178.44 178.11 1hq0 n GLU 848 N -4.49 0.19 0.23 1.13 -0.58 -1.26 -2.31 120.64 113.55 1hq0 n GLU 848 Ca 0.15 0.15 0.13 0.00 -0.42 0.00 0.00 57.16 57.18 1hq0 n GLU 848 Cb 0.18 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.84 1hq0 n GLU 848 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1hq0 h GLU 849 N 0.00 0.00 -6.61 3.49 4.39 -1.76 -3.45 114.58 110.63 1hq0 h GLU 849 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1hq0 h GLU 849 Cb 0.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1hq0 h GLU 849 CO 0.00 0.00 0.54 0.08 -1.16 0.00 0.00 179.01 178.47 1hq0 s VAL 850 N -3.31 3.76 0.00 3.13 1.01 -0.98 -4.78 120.40 119.24 1hq0 s VAL 850 Ca 0.06 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.45 1hq0 s VAL 850 Cb 0.06 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1hq0 s VAL 850 CO 0.64 0.20 0.09 -1.10 0.00 0.00 0.00 175.10 174.93 1hq0 s GLN 851 N 0.10 3.08 0.34 2.72 -0.21 -1.26 -4.78 119.66 119.65 1hq0 s GLN 851 Ca 0.54 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 55.14 1hq0 s GLN 851 Cb -0.31 -2.87 -0.11 0.00 1.00 0.00 0.00 33.01 30.72 1hq0 s GLN 851 CO 0.34 0.64 1.54 -2.00 -2.12 0.00 0.00 175.29 173.69 1hq0 s GLU 852 N -1.80 4.11 0.00 2.91 2.56 -1.26 -1.74 118.70 123.48 1hq0 s GLU 852 Ca 0.24 2.58 0.00 0.00 0.00 0.00 0.00 54.97 57.78 1hq0 s GLU 852 Cb -0.12 -2.99 0.00 0.00 2.00 0.00 0.00 34.13 33.02 1hq0 s GLU 852 CO 0.15 -0.58 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1hq0 n GLY 853 N 1.23 0.83 2.29 -1.50 0.00 -1.26 -4.93 105.19 101.85 1hq0 n GLY 853 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1hq0 n GLY 853 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hq0 n LYS 854 N -2.18 1.33 -1.79 1.61 5.02 -0.71 -4.90 118.16 116.53 1hq0 n LYS 854 Ca 0.00 -3.74 -0.37 0.00 -2.02 0.00 0.00 58.31 52.18 1hq0 n LYS 854 Cb 0.01 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1hq0 n LYS 854 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hq0 s PRO 855 N -1.58 2.69 -0.04 1.97 0.04 -1.26 -4.34 135.00 132.49 1hq0 s PRO 855 Ca 0.36 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.52 1hq0 s PRO 855 Cb 0.15 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1hq0 s PRO 855 CO -0.08 -1.48 -0.25 0.08 0.04 0.00 0.00 177.00 175.30 1hq0 s VAL 856 N -1.41 2.08 -0.10 -0.36 1.01 -0.75 -1.90 120.40 118.97 1hq0 s VAL 856 Ca 0.80 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1hq0 s VAL 856 Cb -0.37 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1hq0 s VAL 856 CO 0.40 0.57 -0.19 -0.63 0.00 0.00 0.00 175.10 175.25 1hq0 s ILE 857 N -0.33 1.69 -0.31 2.22 1.01 0.31 -1.16 121.20 124.63 1hq0 s ILE 857 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1hq0 s ILE 857 Cb -0.12 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1hq0 s ILE 857 CO 0.02 0.48 0.16 -0.63 0.00 0.00 0.00 174.94 174.97 1hq0 s ILE 858 N 0.64 4.75 0.12 2.92 1.01 0.36 -0.33 121.20 130.68 1hq0 s ILE 858 Ca -0.13 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1hq0 s ILE 858 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1hq0 s ILE 858 CO 0.04 0.10 -0.13 0.28 0.00 0.00 0.00 174.94 175.23 1hq0 s THR 859 N 1.64 3.15 -1.35 2.92 -1.32 0.57 -1.03 115.64 120.23 1hq0 s THR 859 Ca 0.05 -1.42 0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1hq0 s THR 859 Cb -0.17 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.25 1hq0 s THR 859 CO 0.07 0.07 1.10 -1.20 -2.21 0.00 0.00 174.62 172.45 1hq0 n SER 860 N 0.62 1.21 0.00 8.08 7.64 -0.53 -0.99 113.62 129.65 1hq0 n SER 860 Ca -0.14 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1hq0 n SER 860 Cb 0.53 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1hq0 n SER 860 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hq0 n GLY 861 N 1.46 -0.70 3.73 0.23 0.00 -1.25 -4.47 105.19 104.19 1hq0 n GLY 861 Ca 0.06 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1hq0 n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hq0 s ASN 862 N -4.00 6.83 -0.15 1.61 -0.87 -1.26 -4.50 114.94 112.61 1hq0 s ASN 862 Ca 0.00 1.00 -0.15 0.00 -1.57 0.00 0.00 52.86 52.14 1hq0 s ASN 862 Cb 0.00 -2.34 -0.05 0.00 -0.02 0.00 0.00 41.25 38.85 1hq0 s ASN 862 CO 0.00 0.00 0.34 -0.76 -2.57 0.00 0.00 177.10 174.11 1hq0 s LEU 863 N 0.45 4.26 -0.28 0.60 1.43 0.21 -4.91 118.68 120.43 1hq0 s LEU 863 Ca 0.30 0.59 0.17 0.00 -1.03 0.00 0.00 54.13 54.17 1hq0 s LEU 863 Cb -0.17 -2.46 0.49 0.00 0.03 0.00 0.00 46.19 44.08 1hq0 s LEU 863 CO 0.14 0.08 1.12 -1.54 0.23 0.00 0.00 176.35 176.37 1hq0 n SER 864 N 3.57 2.70 0.00 2.29 3.41 -1.26 -1.04 113.62 123.29 1hq0 n SER 864 Ca -0.11 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1hq0 n SER 864 Cb 0.52 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1hq0 n SER 864 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq0 n GLY 865 N -0.57 1.92 3.74 5.00 0.00 -1.26 -5.11 105.19 108.92 1hq0 n GLY 865 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1hq0 n GLY 865 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hq0 s THR 867 N -3.22 1.86 0.14 0.00 2.01 -0.27 -4.37 115.64 111.79 1hq0 s THR 867 Ca 0.67 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.80 1hq0 s THR 867 Cb -0.14 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1hq0 s THR 867 CO 0.55 0.52 -0.26 0.42 -0.69 0.00 0.00 174.62 175.16 1hq0 s THR 868 N -0.28 2.25 -0.04 -0.82 -4.23 -0.23 -0.79 115.64 111.50 1hq0 s THR 868 Ca 0.01 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1hq0 s THR 868 Cb -0.11 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.75 1hq0 s THR 868 CO 0.02 0.06 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.46 1hq0 s ILE 869 N -1.14 0.59 -0.09 2.99 1.01 0.71 -1.22 121.20 124.05 1hq0 s ILE 869 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1hq0 s ILE 869 Cb -0.10 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1hq0 s ILE 869 CO 0.06 0.22 -0.19 -0.69 0.00 0.00 0.00 174.94 174.35 1hq0 s VAL 870 N 0.67 1.66 0.07 2.92 1.01 -0.66 -0.84 120.40 125.24 1hq0 s VAL 870 Ca -0.09 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1hq0 s VAL 870 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1hq0 s VAL 870 CO 0.00 0.47 0.22 0.00 0.00 0.00 0.00 175.10 175.80 1hq0 s ALA 871 N 0.52 -0.36 0.02 5.51 0.00 0.05 -0.27 121.76 127.22 1hq0 s ALA 871 Ca -0.16 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1hq0 s ALA 871 Cb -0.17 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1hq0 s ALA 871 CO 0.06 -0.47 -0.21 0.50 0.00 0.00 0.00 175.76 175.65 1hq0 s ARG 872 N -3.35 1.52 -0.28 0.00 3.52 -0.71 -0.33 118.95 119.32 1hq0 s ARG 872 Ca 0.01 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.66 1hq0 s ARG 872 Cb 0.02 -1.56 0.12 0.00 -1.56 0.00 0.00 34.95 31.97 1hq0 s ARG 872 CO -0.08 0.41 0.62 0.21 -0.81 0.00 0.00 175.30 175.65 1hq0 s LYS 873 N -0.86 0.56 -1.24 5.12 2.20 -0.64 -1.68 119.74 123.20 1hq0 s LYS 873 Ca 0.08 1.36 -0.32 0.00 -0.36 0.00 0.00 55.97 56.73 1hq0 s LYS 873 Cb -0.08 0.69 0.04 0.00 -1.51 0.00 0.00 37.83 36.97 1hq0 s LYS 873 CO 0.01 -0.20 0.63 0.39 -0.36 0.00 0.00 175.35 175.82 1hq0 n GLU 874 N 5.28 -0.34 -0.99 4.03 1.02 -1.26 -1.74 120.64 126.63 1hq0 n GLU 874 Ca -0.13 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1hq0 n GLU 874 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1hq0 n GLU 874 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hq0 n GLY 875 N -2.13 0.61 3.20 0.62 0.00 -1.26 -5.03 105.19 101.21 1hq0 n GLY 875 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1hq0 n GLY 875 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hq0 s TYR 876 N -2.49 1.50 -0.14 1.61 1.51 -0.71 -1.68 117.35 116.95 1hq0 s TYR 876 Ca 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1hq0 s TYR 876 Cb 0.00 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1hq0 s TYR 876 CO 0.00 0.08 -0.03 0.42 -1.11 0.00 0.00 175.55 174.91 1hq0 s ILE 877 N -0.92 3.95 -0.08 2.71 -1.09 0.25 -1.61 121.20 124.41 1hq0 s ILE 877 Ca 0.04 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1hq0 s ILE 877 Cb -0.09 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1hq0 s ILE 877 CO 0.02 0.52 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.77 1hq0 s TYR 878 N 0.09 2.68 -0.05 3.97 1.51 0.55 -1.26 117.35 124.83 1hq0 s TYR 878 Ca -0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1hq0 s TYR 878 Cb -0.13 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1hq0 s TYR 878 CO 0.03 -0.05 0.00 0.21 -1.11 0.00 0.00 175.55 174.63 1hq0 s LYS 879 N -0.22 0.45 0.01 -0.62 2.20 -0.81 -0.77 119.74 119.97 1hq0 s LYS 879 Ca -0.00 0.11 0.06 0.00 -0.36 0.00 0.00 55.97 55.78 1hq0 s LYS 879 Cb -0.13 -0.74 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1hq0 s LYS 879 CO 0.03 -0.23 -0.20 0.08 -0.36 0.00 0.00 175.35 174.68 1hq0 s VAL 880 N 1.57 1.58 -0.11 4.02 1.01 -0.02 -1.16 120.40 127.29 1hq0 s VAL 880 Ca -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1hq0 s VAL 880 Cb -0.13 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1hq0 s VAL 880 CO -0.03 0.34 -0.07 -2.28 0.00 0.00 0.00 175.10 173.06 1hq0 s HIS 881 N -0.60 1.42 0.11 5.22 2.46 -0.13 -0.21 115.29 123.57 1hq0 s HIS 881 Ca 0.07 -0.72 0.07 0.00 0.47 0.00 0.00 55.06 54.95 1hq0 s HIS 881 Cb -0.08 -1.20 -0.04 0.00 -0.13 0.00 0.00 32.58 31.13 1hq0 s HIS 881 CO 0.00 -0.51 -0.16 -0.08 -2.47 0.00 0.00 174.74 171.52 1hq0 s THR 882 N 1.73 1.45 -5.00 0.89 -1.32 0.03 -1.52 115.64 111.90 1hq0 s THR 882 Ca 0.05 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1hq0 s THR 882 Cb -0.13 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1hq0 s THR 882 CO -0.08 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 1hq0 n GLY 883 N 0.76 -0.79 2.89 6.08 0.00 -1.01 -1.11 105.19 112.01 1hq0 n GLY 883 Ca -0.17 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 1hq0 n GLY 883 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hq0 s THR 884 N -3.00 0.04 -0.15 2.61 -1.32 -1.26 -1.90 115.64 110.65 1hq0 s THR 884 Ca 0.00 -0.17 0.15 0.00 -1.21 0.00 0.00 61.69 60.46 1hq0 s THR 884 Cb 0.00 -0.07 0.05 0.00 -1.51 0.00 0.00 72.50 70.97 1hq0 s THR 884 CO 0.00 -0.08 1.41 0.71 -2.21 0.00 0.00 174.62 174.44 1hq0 h THR 885 N 5.05 0.86 -3.65 5.08 1.35 -1.49 -3.46 112.91 116.67 1hq0 h THR 885 Ca -0.26 -2.23 -0.27 0.00 -0.55 0.00 0.00 66.41 63.10 1hq0 h THR 885 Cb 1.21 2.41 0.09 0.00 -1.73 0.00 0.00 68.15 70.13 1hq0 h THR 885 CO 0.49 0.49 0.20 1.17 -0.25 0.00 0.00 175.52 177.62 1hq0 n LYS 886 N -3.21 -0.47 -1.85 4.72 4.81 -1.26 -4.99 118.16 115.91 1hq0 n LYS 886 Ca 0.01 -1.40 -0.39 0.00 -0.87 0.00 0.00 58.31 55.66 1hq0 n LYS 886 Cb 0.74 -0.70 0.04 0.00 0.02 0.00 0.00 35.03 35.14 1hq0 n LYS 886 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1hq0 n SER 887 N -3.33 7.54 -4.56 3.14 7.64 -1.26 -4.92 113.62 117.87 1hq0 n SER 887 Ca 0.10 -3.82 -0.40 0.00 1.01 0.00 0.00 58.87 55.76 1hq0 n SER 887 Cb 0.36 -1.06 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 1hq0 n SER 887 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hq0 s LEU 888 N -4.02 3.40 0.05 -3.43 1.43 -1.26 -4.96 118.68 109.90 1hq0 s LEU 888 Ca 0.53 -1.16 -0.34 0.00 -1.03 0.00 0.00 54.13 52.13 1hq0 s LEU 888 Cb 0.45 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.97 1hq0 s LEU 888 CO -0.37 -1.71 1.68 0.00 0.23 0.00 0.00 176.35 176.18 1hq0 n ALA 889 N 9.56 0.99 -0.97 4.21 0.00 -1.26 -1.78 120.51 131.26 1hq0 n ALA 889 Ca 0.28 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1hq0 n ALA 889 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1hq0 n ALA 889 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hq0 n GLY 890 N 3.74 0.81 0.15 0.00 0.00 -1.26 -4.95 105.19 103.69 1hq0 n GLY 890 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1hq0 n GLY 890 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1hq0 h PHE 891 N 0.00 -0.27 -0.89 1.61 3.57 -1.77 -3.26 116.94 115.92 1hq0 h PHE 891 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1hq0 h PHE 891 Cb 0.00 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 1hq0 h PHE 891 CO 0.00 0.01 0.52 1.15 -2.23 0.00 0.00 178.31 177.76 1hq0 h THR 892 N -0.55 0.87 -0.00 4.41 2.02 -1.93 0.72 112.91 118.45 1hq0 h THR 892 Ca -0.03 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1hq0 h THR 892 Cb 0.41 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1hq0 h THR 892 CO 0.05 0.15 -0.00 -1.54 0.37 0.00 0.00 175.52 174.55 1hq0 n SER 893 N -4.73 0.00 0.00 4.18 3.41 -1.25 -3.03 113.62 112.20 1hq0 n SER 893 Ca 0.16 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1hq0 n SER 893 Cb 0.35 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1hq0 n SER 893 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1hq0 n THR 894 N -1.19 0.00 -0.04 6.66 -2.24 -0.68 -3.34 114.28 113.45 1hq0 n THR 894 Ca 0.17 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.01 1hq0 n THR 894 Cb 0.20 -0.16 0.43 0.00 -2.10 0.00 0.00 70.33 68.70 1hq0 n THR 894 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1hq0 h THR 895 N 0.00 1.05 -0.54 4.28 2.02 -1.53 -0.67 112.91 117.52 1hq0 h THR 895 Ca 0.00 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1hq0 h THR 895 Cb 0.00 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1hq0 h THR 895 CO 0.00 0.10 0.26 1.23 0.37 0.00 0.00 175.52 177.48 1hq0 h GLY 896 N 0.55 0.81 0.94 2.16 0.00 -0.97 -1.18 103.07 105.38 1hq0 h GLY 896 Ca 0.20 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1hq0 h GLY 896 CO -0.05 0.36 -0.07 -2.08 0.00 0.00 0.00 176.54 174.70 1hq0 h VAL 897 N 0.76 1.27 -0.64 4.60 2.07 -1.05 -1.59 116.25 121.67 1hq0 h VAL 897 Ca 0.19 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1hq0 h VAL 897 Cb 0.08 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1hq0 h VAL 897 CO -0.03 0.37 0.38 0.50 0.02 0.00 0.00 177.57 178.81 1hq0 h LYS 898 N 0.49 0.70 -0.62 1.57 3.64 -0.90 -1.04 116.57 120.40 1hq0 h LYS 898 Ca 0.09 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1hq0 h LYS 898 Cb 0.57 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1hq0 h LYS 898 CO 0.03 0.46 0.07 0.87 -2.27 0.00 0.00 179.45 178.61 1hq0 h LYS 899 N 0.72 1.03 -0.55 1.90 1.79 -1.06 -1.46 116.57 118.94 1hq0 h LYS 899 Ca 0.27 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1hq0 h LYS 899 Cb 0.10 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1hq0 h LYS 899 CO -0.14 0.97 -0.00 0.00 -1.08 0.00 0.00 179.45 179.20 1hq0 h ALA 900 N 1.10 0.75 -0.46 3.86 0.00 -0.78 -1.96 119.26 121.76 1hq0 h ALA 900 Ca 0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1hq0 h ALA 900 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1hq0 h ALA 900 CO 0.02 0.57 -0.22 0.28 0.00 0.00 0.00 179.25 179.90 1hq0 h VAL 901 N 0.86 1.27 -0.81 0.00 2.07 -1.06 -1.56 116.25 117.02 1hq0 h VAL 901 Ca 0.16 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1hq0 h VAL 901 Cb 0.54 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1hq0 h VAL 901 CO 0.03 0.47 0.46 -0.33 0.02 0.00 0.00 177.57 178.22 1hq0 h GLU 902 N 0.82 1.12 -0.49 1.57 5.08 -1.13 0.14 114.58 121.69 1hq0 h GLU 902 Ca 0.11 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1hq0 h GLU 902 Cb 0.79 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1hq0 h GLU 902 CO 0.07 0.82 0.12 0.28 -1.00 0.00 0.00 179.01 179.29 1hq0 h VAL 903 N 1.13 1.24 -0.78 3.13 2.07 -1.10 -0.24 116.25 121.69 1hq0 h VAL 903 Ca 0.29 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1hq0 h VAL 903 Cb 0.00 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1hq0 h VAL 903 CO -0.05 0.30 0.31 -0.07 0.02 0.00 0.00 177.57 178.08 1hq0 h LEU 904 N 0.67 1.08 -0.40 2.57 3.38 -0.88 -1.17 115.31 120.55 1hq0 h LEU 904 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1hq0 h LEU 904 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1hq0 h LEU 904 CO 0.00 0.95 0.16 -0.33 0.09 0.00 0.00 178.44 179.31 1hq0 h GLU 905 N 1.14 0.60 -0.49 1.13 4.39 -0.62 -1.67 114.58 119.06 1hq0 h GLU 905 Ca 0.26 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1hq0 h GLU 905 Cb 0.21 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1hq0 h GLU 905 CO -0.02 0.57 0.22 -0.07 -1.16 0.00 0.00 179.01 178.56 1hq0 h LEU 906 N 0.50 0.61 0.00 1.33 3.38 -0.66 -1.49 115.31 118.99 1hq0 h LEU 906 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1hq0 h LEU 906 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1hq0 h LEU 906 CO -0.01 0.53 -0.06 0.18 0.09 0.00 0.00 178.44 179.17 1hq0 n LEU 907 N -4.38 0.21 -2.27 1.67 4.77 -0.48 -3.74 117.00 112.79 1hq0 n LEU 907 Ca 0.04 0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 1hq0 n LEU 907 Cb 0.13 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1hq0 n LEU 907 CO 0.37 -0.02 0.63 0.35 -1.33 0.00 0.00 177.39 177.39 1hq0 n THR 908 N -1.65 2.88 -2.43 -5.08 -2.24 -0.66 -4.94 114.28 100.17 1hq0 n THR 908 Ca 0.07 -4.04 -0.20 0.00 -2.27 0.00 0.00 64.05 57.60 1hq0 n THR 908 Cb 0.36 -1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 67.40 1hq0 n THR 908 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hq0 n LYS 909 N -0.70 -1.83 -3.94 -0.78 4.76 -1.23 -4.98 118.16 109.45 1hq0 n LYS 909 Ca 0.49 0.95 -0.31 0.00 -2.87 0.00 0.00 58.31 56.57 1hq0 n LYS 909 Cb 0.76 -5.57 -0.14 0.00 -1.84 0.00 0.00 35.03 28.25 1hq0 n LYS 909 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1hq0 s GLU 910 N -5.04 1.88 0.52 1.97 2.56 -0.63 -4.96 118.70 115.01 1hq0 s GLU 910 Ca 0.02 -2.34 0.34 0.00 0.00 0.00 0.00 54.97 52.99 1hq0 s GLU 910 Cb -0.01 -3.34 1.48 0.00 2.00 0.00 0.00 34.13 34.26 1hq0 s GLU 910 CO 0.03 -1.06 2.00 -1.00 -0.56 0.00 0.00 175.26 174.67 1hq0 h PRO 911 N 6.97 0.00 -2.50 4.30 0.13 -1.87 -3.28 132.00 135.76 1hq0 h PRO 911 Ca -0.06 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.46 1hq0 h PRO 911 Cb 0.94 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.66 1hq0 h PRO 911 CO 0.64 0.00 -0.65 -0.89 -0.23 0.00 0.00 178.00 176.87 1hq0 n ILE 912 N -2.94 1.62 -2.12 -3.56 5.41 -1.26 -5.02 119.36 111.49 1hq0 n ILE 912 Ca 0.00 -4.88 -0.41 0.00 1.00 0.00 0.00 62.75 58.46 1hq0 n ILE 912 Cb 0.25 -2.09 -0.02 0.00 -0.71 0.00 0.00 39.64 37.06 1hq0 n ILE 912 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1hq0 s PRO 913 N -1.86 4.34 -0.53 0.38 0.04 -1.25 -4.98 135.00 131.14 1hq0 s PRO 913 Ca 0.34 2.19 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1hq0 s PRO 913 Cb 0.08 -3.12 0.16 0.00 0.04 0.00 0.00 34.50 31.66 1hq0 s PRO 913 CO -0.09 -0.27 0.35 1.03 0.04 0.00 0.00 177.00 178.07 1hq0 s ARG 914 N -0.91 1.64 -0.76 4.56 0.52 -1.26 -5.03 118.95 117.71 1hq0 s ARG 914 Ca 0.54 -2.53 -0.07 0.00 -0.52 0.00 0.00 55.73 53.15 1hq0 s ARG 914 Cb -0.39 -2.55 0.20 0.00 0.52 0.00 0.00 34.95 32.73 1hq0 s ARG 914 CO 0.46 -1.26 0.64 0.08 0.02 0.00 0.00 175.30 175.24 1hq0 s VAL 915 N -0.38 4.59 -1.02 3.52 1.01 -1.26 -4.89 120.40 121.97 1hq0 s VAL 915 Ca 0.24 -2.96 0.11 0.00 0.00 0.00 0.00 61.98 59.37 1hq0 s VAL 915 Cb -0.11 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1hq0 s VAL 915 CO -0.10 -0.98 0.67 -0.62 0.00 0.00 0.00 175.10 174.07 1hq0 n GLU 916 N 3.43 2.06 0.00 2.72 -0.58 -1.26 -5.03 120.64 121.98 1hq0 n GLU 916 Ca 0.13 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 1hq0 n GLU 916 Cb 0.41 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1hq0 n GLU 916 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hq0 n GLY 917 N 0.97 -1.75 3.68 0.62 0.00 -1.26 -4.98 105.19 102.48 1hq0 n GLY 917 Ca 0.05 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1hq0 n GLY 917 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hq0 s ILE 918 N -0.59 4.64 0.12 -0.61 -1.09 -1.26 -5.03 121.20 117.39 1hq0 s ILE 918 Ca 0.00 1.93 -0.13 0.00 -2.23 0.00 0.00 60.65 60.22 1hq0 s ILE 918 Cb 0.00 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.57 1hq0 s ILE 918 CO 0.00 -0.03 0.51 -0.04 -1.23 0.00 0.00 174.94 174.15 1hq0 s MET 919 N 2.32 3.93 0.02 2.79 -1.94 -1.26 -4.84 119.30 120.32 1hq0 s MET 919 Ca 0.49 0.43 -0.29 0.00 -1.71 0.00 0.00 55.69 54.61 1hq0 s MET 919 Cb -0.19 -2.96 0.11 0.00 2.01 0.00 0.00 34.83 33.79 1hq0 s MET 919 CO 0.17 0.51 1.22 -1.54 -0.01 0.00 0.00 175.02 175.37 1hq0 s SER 920 N -1.69 -0.08 0.48 3.03 1.04 -1.21 -4.67 113.70 110.60 1hq0 s SER 920 Ca 0.36 -0.20 0.25 0.00 0.48 0.00 0.00 55.95 56.85 1hq0 s SER 920 Cb -0.15 0.23 1.18 0.00 0.10 0.00 0.00 66.02 67.38 1hq0 s SER 920 CO 0.19 -0.42 1.95 0.78 0.98 0.00 0.00 173.24 176.71 1hq0 h ASN 921 N 2.00 0.00 -0.64 7.02 2.35 -1.43 -2.17 115.58 122.71 1hq0 h ASN 921 Ca -0.29 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1hq0 h ASN 921 Cb 1.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1hq0 h ASN 921 CO 0.28 0.18 0.19 0.44 -1.65 0.00 0.00 177.43 176.88 1hq0 h ASP 922 N 0.00 0.94 -0.75 5.81 3.32 -1.84 -1.95 116.42 121.95 1hq0 h ASP 922 Ca -0.00 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1hq0 h ASP 922 Cb 0.54 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1hq0 h ASP 922 CO 0.02 0.90 0.46 0.15 -1.72 0.00 0.00 179.24 179.06 1hq0 h PHE 923 N 0.92 0.86 -0.70 4.55 3.57 -1.72 -1.24 116.94 123.20 1hq0 h PHE 923 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1hq0 h PHE 923 Cb 0.30 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1hq0 h PHE 923 CO 0.02 0.47 0.35 1.25 -2.23 0.00 0.00 178.31 178.17 1hq0 h LEU 924 N 0.88 0.90 -0.23 0.59 5.85 -1.29 -0.01 115.31 122.00 1hq0 h LEU 924 Ca 0.31 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1hq0 h LEU 924 Cb 0.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1hq0 h LEU 924 CO -0.14 0.77 0.10 0.58 -0.34 0.00 0.00 178.44 179.41 1hq0 h VAL 925 N 0.96 1.15 -0.59 1.05 2.07 -0.82 -0.71 116.25 119.37 1hq0 h VAL 925 Ca 0.24 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1hq0 h VAL 925 Cb 0.10 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1hq0 h VAL 925 CO -0.03 0.15 0.35 -0.78 0.02 0.00 0.00 177.57 177.27 1hq0 h ASP 926 N 0.23 0.72 -0.17 0.57 3.58 -1.03 -1.05 116.42 119.27 1hq0 h ASP 926 Ca 0.08 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1hq0 h ASP 926 Cb 0.14 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1hq0 h ASP 926 CO -0.01 0.58 0.08 0.22 -2.88 0.00 0.00 179.24 177.23 1hq0 h TYR 927 N 0.80 0.24 -0.75 0.28 3.20 -0.81 -2.38 116.97 117.56 1hq0 h TYR 927 Ca 0.21 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1hq0 h TYR 927 Cb 0.00 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1hq0 h TYR 927 CO -0.02 0.28 0.33 -0.07 -1.64 0.00 0.00 178.16 177.04 1hq0 h LEU 928 N 0.14 0.99 -0.83 2.82 3.38 -0.97 -1.62 115.31 119.21 1hq0 h LEU 928 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1hq0 h LEU 928 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1hq0 h LEU 928 CO -0.01 0.86 0.44 -1.28 0.09 0.00 0.00 178.44 178.54 1hq0 h SER 929 N 1.07 1.05 1.48 -0.43 0.87 -1.04 -1.40 113.55 115.15 1hq0 h SER 929 Ca 0.25 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1hq0 h SER 929 Cb 0.16 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1hq0 h SER 929 CO -0.03 0.85 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.38 1hq0 h GLU 930 N 1.16 0.00 -0.00 2.24 4.39 -1.11 -3.38 114.58 117.87 1hq0 h GLU 930 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1hq0 h GLU 930 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1hq0 h GLU 930 CO -0.04 0.42 -0.17 0.09 -1.16 0.00 0.00 179.01 178.14 1hq0 n ASN 931 N -3.24 0.87 -4.16 1.42 4.13 -0.64 -5.04 115.26 108.60 1hq0 n ASN 931 Ca 0.02 -0.93 -0.14 0.00 1.68 0.00 0.00 54.58 55.21 1hq0 n ASN 931 Cb 0.68 0.57 -0.11 0.00 -1.54 0.00 0.00 39.78 39.38 1hq0 n ASN 931 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1hq0 s PHE 932 N -1.17 1.00 0.15 3.10 0.40 -0.54 -5.00 117.98 115.92 1hq0 s PHE 932 Ca 0.05 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 1hq0 s PHE 932 Cb 0.05 -0.55 0.03 0.00 0.51 0.00 0.00 43.02 43.06 1hq0 s PHE 932 CO 0.19 -0.03 1.64 0.93 0.70 0.00 0.00 175.22 178.65 1hq0 h GLU 933 N 3.59 0.86 -2.05 0.44 5.08 -1.61 -3.44 114.58 117.45 1hq0 h GLU 933 Ca -0.37 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 1hq0 h GLU 933 Cb 1.19 -0.10 -0.19 0.00 0.50 0.00 0.00 28.75 30.15 1hq0 h GLU 933 CO 0.53 0.85 0.27 0.34 -1.00 0.00 0.00 179.01 180.00 1hq0 s ASP 934 N -6.26 -0.58 0.25 1.42 -1.08 -1.24 -4.84 116.67 104.34 1hq0 s ASP 934 Ca -0.13 0.55 -0.16 0.00 -0.52 0.00 0.00 52.55 52.29 1hq0 s ASP 934 Cb 0.12 0.50 0.01 0.00 -1.46 0.00 0.00 42.92 42.08 1hq0 s ASP 934 CO 0.81 -0.60 0.56 -0.94 0.52 0.00 0.00 175.17 175.52 1hq0 s SER 935 N -1.41 -0.17 -0.03 -0.34 1.04 -0.98 -1.73 113.70 110.07 1hq0 s SER 935 Ca -0.07 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1hq0 s SER 935 Cb -0.00 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1hq0 s SER 935 CO 0.05 -1.19 0.04 -0.22 0.98 0.00 0.00 173.24 172.89 1hq0 s LEU 936 N -2.97 0.64 -0.22 2.42 2.96 0.63 -1.31 118.68 120.83 1hq0 s LEU 936 Ca 0.17 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1hq0 s LEU 936 Cb -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.49 1hq0 s LEU 936 CO 0.07 -0.18 0.03 -0.63 -1.32 0.00 0.00 176.35 174.32 1hq0 s ILE 937 N 1.61 4.16 -0.31 6.68 1.01 -0.04 -1.65 121.20 132.67 1hq0 s ILE 937 Ca -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1hq0 s ILE 937 Cb -0.13 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1hq0 s ILE 937 CO -0.03 0.40 0.07 -0.89 0.00 0.00 0.00 174.94 174.49 1hq0 s THR 938 N 1.17 3.71 0.31 2.92 2.01 -0.36 -0.26 115.64 125.15 1hq0 s THR 938 Ca 0.04 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1hq0 s THR 938 Cb -0.14 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 1hq0 s THR 938 CO 0.02 -0.03 0.38 -0.72 -0.69 0.00 0.00 174.62 173.58 1hq0 s TYR 939 N 1.43 1.18 -0.22 4.92 -0.85 -0.72 -1.07 117.35 122.02 1hq0 s TYR 939 Ca 0.00 -1.34 -0.07 0.00 -0.52 0.00 0.00 57.07 55.14 1hq0 s TYR 939 Cb -0.18 -0.28 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 1hq0 s TYR 939 CO 0.02 -0.99 0.06 0.45 -1.52 0.00 0.00 175.55 173.57 1hq0 s SER 940 N -3.24 5.35 -0.20 -0.18 0.15 -1.26 -1.02 113.70 113.29 1hq0 s SER 940 Ca 0.33 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.85 1hq0 s SER 940 Cb 0.01 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1hq0 s SER 940 CO 0.20 0.06 0.02 -0.55 1.20 0.00 0.00 173.24 174.17 1hq0 s SER 941 N 1.04 5.06 -0.05 5.45 0.15 -0.47 -4.83 113.70 120.05 1hq0 s SER 941 Ca 0.04 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 1hq0 s SER 941 Cb -0.14 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1hq0 s SER 941 CO 0.03 0.09 0.10 -0.55 1.20 0.00 0.00 173.24 174.11 1hq0 s SER 942 N 0.88 -0.06 0.53 5.45 0.15 -1.26 -1.76 113.70 117.63 1hq0 s SER 942 Ca 0.02 0.20 0.32 0.00 0.70 0.00 0.00 55.95 57.19 1hq0 s SER 942 Cb -0.14 0.12 1.23 0.00 -1.71 0.00 0.00 66.02 65.53 1hq0 s SER 942 CO 0.02 -0.11 1.93 1.05 1.20 0.00 0.00 173.24 177.33 1hq0 h GLU 943 N 6.91 0.00 0.00 5.44 4.11 -1.97 -2.17 114.58 126.91 1hq0 h GLU 943 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1hq0 h GLU 943 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1hq0 h GLU 943 CO 0.45 0.00 0.00 -0.22 0.07 0.00 0.00 179.01 179.31 1hq0 h LYS 944 N 0.00 0.00 -2.29 1.06 1.63 -2.02 -3.31 116.57 111.65 1hq0 h LYS 944 Ca 0.00 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.22 1hq0 h LYS 944 Cb 0.57 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.81 1hq0 h LYS 944 CO 0.00 0.00 -0.97 1.63 -3.45 0.00 0.00 179.45 176.66 1hq0 n LYS 945 N -2.82 0.64 0.12 1.90 5.02 -0.82 -5.01 118.16 117.18 1hq0 n LYS 945 Ca 0.02 -3.39 0.19 0.00 -2.02 0.00 0.00 58.31 53.12 1hq0 n LYS 945 Cb 0.36 -1.60 0.67 0.00 -0.02 0.00 0.00 35.03 34.44 1hq0 n LYS 945 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1hq0 h PRO 946 N 4.97 0.00 0.00 1.97 0.13 -1.64 -1.18 132.00 136.24 1hq0 h PRO 946 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1hq0 h PRO 946 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1hq0 h PRO 946 CO 0.46 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.78 1hq0 h ASP 947 N 0.00 0.00 1.81 1.44 3.32 -1.91 -2.17 116.42 118.91 1hq0 h ASP 947 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1hq0 h ASP 947 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1hq0 h ASP 947 CO -0.00 0.01 0.00 0.77 -1.72 0.00 0.00 179.24 178.30 1hq0 h SER 948 N 0.00 0.00 -3.25 6.45 4.64 -1.48 -2.18 113.55 117.74 1hq0 h SER 948 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1hq0 h SER 948 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 1hq0 h SER 948 CO 0.00 0.00 0.53 -1.10 -0.87 0.00 0.00 176.83 175.39 1hq0 s GLN 949 N -3.26 4.33 -0.06 4.77 -0.21 -0.82 -4.69 119.66 119.72 1hq0 s GLN 949 Ca 0.07 1.20 -0.26 0.00 0.02 0.00 0.00 55.36 56.39 1hq0 s GLN 949 Cb 0.06 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 1hq0 s GLN 949 CO 0.64 -0.39 0.83 0.42 -2.12 0.00 0.00 175.29 174.67 1hq0 s ILE 950 N 2.32 4.95 -0.03 1.08 1.01 -1.26 -4.69 121.20 124.58 1hq0 s ILE 950 Ca 0.43 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.78 1hq0 s ILE 950 Cb -0.17 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 1hq0 s ILE 950 CO 0.13 0.18 0.19 0.35 0.00 0.00 0.00 174.94 175.79 1hq0 n THR 951 N 3.99 0.00 -4.17 2.92 -2.24 -1.26 -5.05 114.28 108.48 1hq0 n THR 951 Ca 0.02 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1hq0 n THR 951 Cb 0.51 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1hq0 n THR 951 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1hq0 s ILE 952 N -0.67 3.93 -0.09 2.28 -4.36 -1.26 -5.12 121.20 115.91 1hq0 s ILE 952 Ca 0.00 -1.30 0.04 0.00 -0.26 0.00 0.00 60.65 59.13 1hq0 s ILE 952 Cb 0.00 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 1hq0 s ILE 952 CO 0.01 -0.09 -0.20 -0.63 0.24 0.00 0.00 174.94 174.27 1hq0 s ILE 953 N -1.69 2.43 -0.05 8.37 1.01 -1.26 -5.05 121.20 124.95 1hq0 s ILE 953 Ca 0.28 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1hq0 s ILE 953 Cb -0.10 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1hq0 s ILE 953 CO 0.20 0.56 -0.04 -0.13 0.00 0.00 0.00 174.94 175.52 1hq0 s ARG 954 N 0.07 0.87 0.58 2.79 1.81 -1.26 -5.04 118.95 118.77 1hq0 s ARG 954 Ca -0.09 -0.09 0.28 0.00 -1.72 0.00 0.00 55.73 54.12 1hq0 s ARG 954 Cb -0.15 -0.93 1.70 0.00 -0.45 0.00 0.00 34.95 35.11 1hq0 s ARG 954 CO 0.06 -0.13 2.17 -0.44 -0.68 0.00 0.00 175.30 176.27 1hq0 h ASP 955 N 7.44 0.00 -0.56 0.23 3.32 -1.99 -2.50 116.42 122.35 1hq0 h ASP 955 Ca -0.34 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.51 1hq0 h ASP 955 Cb 1.15 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.58 1hq0 h ASP 955 CO 0.43 0.00 0.17 -0.46 -1.72 0.00 0.00 179.24 177.66 1hq0 n ASN 956 N -3.88 3.83 -3.66 6.45 6.94 -1.26 -4.86 115.26 118.82 1hq0 n ASN 956 Ca -0.00 -3.39 -0.26 0.00 -0.02 0.00 0.00 54.58 50.90 1hq0 n ASN 956 Cb 0.22 -0.69 -0.17 0.00 -2.36 0.00 0.00 39.78 36.78 1hq0 n ASN 956 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1hq0 s VAL 957 N -3.08 0.14 0.10 3.53 1.01 -0.94 -2.32 120.40 118.84 1hq0 s VAL 957 Ca 0.50 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1hq0 s VAL 957 Cb 0.42 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 1hq0 s VAL 957 CO 0.08 -0.22 0.43 -0.44 0.00 0.00 0.00 175.10 174.95 1hq0 s SER 958 N 2.03 6.67 0.03 3.32 0.01 -0.43 -4.64 113.70 120.70 1hq0 s SER 958 Ca 0.01 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.17 1hq0 s SER 958 Cb -0.16 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1hq0 s SER 958 CO -0.08 0.15 -0.17 0.68 0.41 0.00 0.00 173.24 174.23 1hq0 s VAL 959 N -1.43 1.32 -0.24 3.43 -7.23 -1.26 -0.86 120.40 114.13 1hq0 s VAL 959 Ca 0.35 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1hq0 s VAL 959 Cb -0.14 -1.17 0.09 0.00 0.56 0.00 0.00 36.38 35.73 1hq0 s VAL 959 CO 0.19 0.12 0.17 0.12 -0.31 0.00 0.00 175.10 175.38 1hq0 s PHE 960 N -0.77 0.03 -0.71 2.82 5.36 0.65 -4.93 117.98 120.42 1hq0 s PHE 960 Ca 0.04 -0.37 -0.25 0.00 -0.96 0.00 0.00 56.93 55.39 1hq0 s PHE 960 Cb -0.08 -0.65 0.04 0.00 -0.34 0.00 0.00 43.02 41.99 1hq0 s PHE 960 CO 0.01 -0.71 1.17 -1.25 -1.46 0.00 0.00 175.22 172.99 1hq0 s PRO 961 N 2.20 3.17 0.40 10.12 0.04 -1.26 -1.75 135.00 147.92 1hq0 s PRO 961 Ca 0.07 -0.44 0.22 0.00 0.04 0.00 0.00 61.00 60.89 1hq0 s PRO 961 Cb -0.16 -4.19 0.63 0.00 0.04 0.00 0.00 34.50 30.82 1hq0 s PRO 961 CO -0.23 -2.03 1.70 0.10 0.04 0.00 0.00 177.00 176.58 1hq0 h TYR 962 N 9.87 0.00 -3.97 0.56 -0.00 -1.45 -3.42 116.97 118.56 1hq0 h TYR 962 Ca -0.28 0.00 -0.69 0.00 0.00 0.00 0.00 58.73 57.76 1hq0 h TYR 962 Cb 1.06 0.00 -0.29 0.00 0.00 0.00 0.00 36.73 37.50 1hq0 h TYR 962 CO 1.07 0.26 -0.85 -0.06 -0.00 0.00 0.00 178.16 178.58 1hq0 s PHE 963 N -3.40 2.53 -0.26 0.10 0.40 -1.24 -4.65 117.98 111.46 1hq0 s PHE 963 Ca 0.02 -0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1hq0 s PHE 963 Cb 0.09 -1.63 0.09 0.00 0.51 0.00 0.00 43.02 42.07 1hq0 s PHE 963 CO 0.67 -0.13 0.11 -1.17 0.70 0.00 0.00 175.22 175.39 1hq0 s LEU 964 N -0.23 0.77 -0.33 -0.37 2.96 0.08 -1.37 118.68 120.19 1hq0 s LEU 964 Ca -0.01 -1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 52.47 1hq0 s LEU 964 Cb -0.13 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.19 1hq0 s LEU 964 CO 0.03 -0.41 0.48 0.47 -1.32 0.00 0.00 176.35 175.61 1hq0 n ASP 965 N 5.19 -4.02 -2.50 3.68 8.00 -0.72 -1.89 116.55 124.28 1hq0 n ASP 965 Ca -0.06 -0.12 -0.20 0.00 0.71 0.00 0.00 54.79 55.12 1hq0 n ASP 965 Cb 0.44 -1.17 0.01 0.00 -0.02 0.00 0.00 41.12 40.38 1hq0 n ASP 965 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hq0 n ASN 966 N 0.15 -5.79 -3.55 -2.24 5.15 -1.26 -4.99 115.26 102.74 1hq0 n ASN 966 Ca -0.07 -0.12 -0.12 0.00 -0.60 0.00 0.00 54.58 53.68 1hq0 n ASN 966 Cb 0.50 -4.73 -0.11 0.00 -0.53 0.00 0.00 39.78 34.92 1hq0 n ASN 966 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1hq0 s ILE 967 N -3.06 -0.51 0.28 -1.44 1.01 -0.79 -3.23 121.20 113.46 1hq0 s ILE 967 Ca 0.11 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 1hq0 s ILE 967 Cb -0.05 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.69 1hq0 s ILE 967 CO 0.14 -0.01 1.27 -2.84 0.00 0.00 0.00 174.94 173.50 1hq0 s PRO 968 N 2.49 4.42 0.48 2.79 0.02 -1.26 -0.74 135.00 143.19 1hq0 s PRO 968 Ca 0.05 2.09 0.13 0.00 0.02 0.00 0.00 61.00 63.28 1hq0 s PRO 968 Cb -0.14 -3.13 1.11 0.00 0.02 0.00 0.00 34.50 32.36 1hq0 s PRO 968 CO -0.12 -0.14 2.11 1.49 -0.33 0.00 0.00 177.00 180.01 1hq0 h GLU 969 N 4.17 0.21 -2.82 5.54 4.81 -1.95 -3.36 114.58 121.18 1hq0 h GLU 969 Ca -0.47 -0.01 -0.43 0.00 -0.13 0.00 0.00 59.36 58.31 1hq0 h GLU 969 Cb 1.22 -0.05 -0.39 0.00 0.63 0.00 0.00 28.75 30.16 1hq0 h GLU 969 CO 0.70 0.14 -0.72 -1.58 -0.73 0.00 0.00 179.01 176.82 1hq0 s HIS 970 N -5.24 0.07 0.00 0.92 5.04 -1.26 -5.07 115.29 109.75 1hq0 s HIS 970 Ca -0.06 -0.30 0.00 0.00 -1.54 0.00 0.00 55.06 53.15 1hq0 s HIS 970 Cb 0.17 -0.65 0.00 0.00 0.04 0.00 0.00 32.58 32.15 1hq0 s HIS 970 CO 0.70 -0.62 0.00 0.41 -2.34 0.00 0.00 174.74 172.88 1hq0 n GLY 971 N 5.28 1.11 3.75 1.59 0.00 -1.26 0.48 105.19 116.15 1hq0 n GLY 971 Ca -0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1hq0 n GLY 971 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hq0 s PHE 972 N -1.93 -0.23 0.37 1.61 -0.12 -0.67 -4.91 117.98 112.10 1hq0 s PHE 972 Ca 0.00 -0.13 0.08 0.00 -0.05 0.00 0.00 56.93 56.83 1hq0 s PHE 972 Cb 0.00 0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 42.99 1hq0 s PHE 972 CO 0.00 -1.03 0.03 0.20 -0.05 0.00 0.00 175.22 174.37 1hq0 s GLY 973 N -2.88 2.22 0.04 1.99 0.00 -0.20 -0.47 107.32 108.03 1hq0 s GLY 973 Ca 0.10 -2.08 -0.00 0.00 0.00 0.00 0.00 44.72 42.74 1hq0 s GLY 973 CO 0.02 -1.96 -0.04 -0.51 0.00 0.00 0.00 173.10 170.61 1hq0 s THR 974 N -2.58 0.22 -0.22 0.90 -4.23 -0.32 -0.62 115.64 108.79 1hq0 s THR 974 Ca 0.36 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1hq0 s THR 974 Cb 0.03 -0.83 0.11 0.00 1.34 0.00 0.00 72.50 73.16 1hq0 s THR 974 CO 0.19 -0.69 0.33 -0.55 -0.54 0.00 0.00 174.62 173.36 1hq0 s SER 975 N -2.09 0.53 -0.06 3.99 0.15 -1.26 -2.10 113.70 112.87 1hq0 s SER 975 Ca -0.06 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.80 1hq0 s SER 975 Cb -0.03 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1hq0 s SER 975 CO -0.04 -0.30 -0.12 0.00 1.20 0.00 0.00 173.24 173.98 1hq0 s ALA 976 N 2.48 1.23 -0.13 5.45 0.00 -0.23 -1.45 121.76 129.11 1hq0 s ALA 976 Ca 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1hq0 s ALA 976 Cb -0.15 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1hq0 s ALA 976 CO -0.14 0.12 -0.17 0.99 0.00 0.00 0.00 175.76 176.57 1hq0 s THR 977 N 0.60 1.66 -0.09 0.00 2.01 -0.20 -0.12 115.64 119.51 1hq0 s THR 977 Ca -0.13 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 1hq0 s THR 977 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1hq0 s THR 977 CO 0.03 0.47 0.02 0.68 -0.69 0.00 0.00 174.62 175.14 1hq0 s VAL 978 N 1.07 4.49 -0.20 3.82 -7.23 0.41 -0.48 120.40 122.28 1hq0 s VAL 978 Ca -0.04 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1hq0 s VAL 978 Cb -0.14 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 33.94 1hq0 s VAL 978 CO -0.04 0.60 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.49 1hq0 s LEU 979 N -0.94 2.26 -0.02 1.32 1.02 -0.31 -1.76 118.68 120.26 1hq0 s LEU 979 Ca 0.14 -0.89 0.01 0.00 0.02 0.00 0.00 54.13 53.41 1hq0 s LEU 979 Cb -0.11 -1.21 0.01 0.00 0.02 0.00 0.00 46.19 44.89 1hq0 s LEU 979 CO 0.03 -0.15 -0.04 -0.69 0.02 0.00 0.00 176.35 175.51 1hq0 s VAL 980 N 1.41 0.43 -0.34 -1.59 1.01 -0.25 -1.82 120.40 119.26 1hq0 s VAL 980 Ca -0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1hq0 s VAL 980 Cb -0.16 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 1hq0 s VAL 980 CO -0.08 0.16 0.60 -0.60 0.00 0.00 0.00 175.10 175.19 1hq0 s ARG 981 N 0.41 3.72 -0.24 2.72 3.52 -1.26 0.37 118.95 128.18 1hq0 s ARG 981 Ca -0.05 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.59 1hq0 s ARG 981 Cb -0.08 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 1hq0 s ARG 981 CO -0.00 -0.67 -0.05 0.08 -0.81 0.00 0.00 175.30 173.85 1hq0 s VAL 982 N 2.61 3.05 -1.49 7.11 1.01 0.12 -4.41 120.40 128.40 1hq0 s VAL 982 Ca 0.23 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1hq0 s VAL 982 Cb -0.15 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1hq0 s VAL 982 CO 0.14 0.26 1.03 0.47 0.00 0.00 0.00 175.10 177.00 1hq0 n ASP 983 N 4.72 -5.16 0.00 3.32 8.00 -1.26 -1.85 116.55 124.32 1hq0 n ASP 983 Ca -0.17 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1hq0 n ASP 983 Cb 0.48 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1hq0 n ASP 983 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hq0 n GLY 984 N -1.77 3.02 3.62 0.44 0.00 -1.26 -5.03 105.19 104.21 1hq0 n GLY 984 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1hq0 n GLY 984 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hq0 s ASN 985 N -1.25 5.65 -0.17 1.61 0.01 -0.77 -5.04 114.94 114.98 1hq0 s ASN 985 Ca 0.00 0.06 -0.28 0.00 -0.71 0.00 0.00 52.86 51.93 1hq0 s ASN 985 Cb 0.00 -1.98 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 1hq0 s ASN 985 CO 0.00 0.14 0.95 -0.69 -1.51 0.00 0.00 177.10 175.98 1hq0 s VAL 986 N 0.60 4.79 0.03 1.60 1.01 -1.26 0.11 120.40 127.28 1hq0 s VAL 986 Ca 0.04 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1hq0 s VAL 986 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1hq0 s VAL 986 CO 0.01 -0.05 0.02 -0.69 0.00 0.00 0.00 175.10 174.39 1hq0 s VAL 987 N 2.46 4.24 -0.08 2.92 1.01 0.16 -4.93 120.40 126.17 1hq0 s VAL 987 Ca 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1hq0 s VAL 987 Cb -0.17 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1hq0 s VAL 987 CO 0.12 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 1hq0 s VAL 988 N -1.20 0.81 0.01 2.92 1.01 -1.26 -1.09 120.40 121.61 1hq0 s VAL 988 Ca 0.23 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1hq0 s VAL 988 Cb -0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1hq0 s VAL 988 CO 0.14 0.32 -0.08 -0.13 0.00 0.00 0.00 175.10 175.35 1hq0 s ARG 989 N 1.48 0.61 0.05 2.72 0.52 -0.72 -0.82 118.95 122.79 1hq0 s ARG 989 Ca -0.01 -0.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1hq0 s ARG 989 Cb -0.13 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1hq0 s ARG 989 CO -0.04 0.14 -0.22 0.45 0.02 0.00 0.00 175.30 175.65 1hq0 s SER 990 N -0.52 2.67 -0.07 0.23 0.15 0.11 -0.44 113.70 115.83 1hq0 s SER 990 Ca 0.00 -0.55 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 1hq0 s SER 990 Cb -0.05 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1hq0 s SER 990 CO 0.00 0.18 -0.00 -0.22 1.20 0.00 0.00 173.24 174.40 1hq0 s LEU 991 N -1.25 0.68 -0.03 3.45 2.96 0.83 -1.13 118.68 124.19 1hq0 s LEU 991 Ca 0.09 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1hq0 s LEU 991 Cb -0.09 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 1hq0 s LEU 991 CO 0.02 -0.18 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.24 1hq0 s SER 992 N 1.81 3.58 0.11 3.68 0.01 -0.44 -1.07 113.70 121.39 1hq0 s SER 992 Ca 0.02 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1hq0 s SER 992 Cb -0.13 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1hq0 s SER 992 CO -0.04 0.33 0.05 -1.61 0.41 0.00 0.00 173.24 172.38 1hq0 s GLU 993 N -0.72 0.85 -0.05 12.44 2.02 -0.89 -0.37 118.70 131.98 1hq0 s GLU 993 Ca 0.11 -1.34 0.03 0.00 0.02 0.00 0.00 54.97 53.79 1hq0 s GLU 993 Cb -0.10 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.38 1hq0 s GLU 993 CO 0.00 -0.23 -0.14 0.45 0.02 0.00 0.00 175.26 175.36 1hq0 s SER 994 N -3.00 1.89 0.15 -0.19 0.15 0.16 -1.17 113.70 111.69 1hq0 s SER 994 Ca 0.18 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.59 1hq0 s SER 994 Cb 0.07 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.64 1hq0 s SER 994 CO -0.02 0.09 -0.17 -0.31 1.20 0.00 0.00 173.24 174.02 1hq0 s TYR 995 N 0.37 1.70 0.09 3.44 1.51 0.38 0.19 117.35 125.03 1hq0 s TYR 995 Ca -0.10 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.52 1hq0 s TYR 995 Cb -0.13 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1hq0 s TYR 995 CO 0.03 0.27 0.02 -1.54 -1.11 0.00 0.00 175.55 173.23 1hq0 s SER 996 N -2.58 5.15 0.03 2.29 1.04 0.03 -1.66 113.70 118.00 1hq0 s SER 996 Ca 0.14 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1hq0 s SER 996 Cb -0.06 -1.27 -0.02 0.00 0.10 0.00 0.00 66.02 64.78 1hq0 s SER 996 CO 0.05 0.17 -0.20 -0.76 0.98 0.00 0.00 173.24 173.48 1hq0 s LEU 997 N -2.37 2.13 0.86 2.42 1.43 0.18 -1.91 118.68 121.42 1hq0 s LEU 997 Ca 0.27 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1hq0 s LEU 997 Cb -0.12 -0.98 0.11 0.00 0.03 0.00 0.00 46.19 45.23 1hq0 s LEU 997 CO 0.19 0.18 1.21 0.54 0.23 0.00 0.00 176.35 178.71 1hq0 s ASN 998 N -0.96 4.07 0.28 2.29 2.20 -1.16 -4.71 114.94 116.96 1hq0 s ASN 998 Ca 0.07 0.68 0.03 0.00 -0.94 0.00 0.00 52.86 52.70 1hq0 s ASN 998 Cb -0.08 -1.07 0.68 0.00 -2.00 0.00 0.00 41.25 38.77 1hq0 s ASN 998 CO 0.01 -2.17 1.72 0.00 -2.94 0.00 0.00 177.10 173.72 1hq0 h ALA 999 N -1.24 1.42 -0.01 3.54 0.00 -1.97 0.75 119.26 121.75 1hq0 h ALA 999 Ca -0.46 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hq0 h ALA 999 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1hq0 h ALA 999 CO 0.59 -0.24 -0.06 -0.40 0.00 0.00 0.00 179.25 179.14 1hq0 n ASP 1000N -4.97 1.22 -3.80 0.00 3.85 -1.26 -4.95 116.55 106.64 1hq0 n ASP 1000Ca 0.21 -1.27 -0.28 0.00 -0.71 0.00 0.00 54.79 52.74 1hq0 n ASP 1000Cb 0.59 0.02 0.05 0.00 -1.35 0.00 0.00 41.12 40.43 1hq0 n ASP 1000CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1hq0 n ALA 1001N -0.16 -1.31 0.40 2.12 0.00 0.26 -4.89 120.51 116.93 1hq0 n ALA 1001Ca 0.18 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.95 1hq0 n ALA 1001Cb 0.33 -4.84 -0.09 0.00 0.00 0.00 0.00 19.45 14.84 1hq0 n ALA 1001CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hq0 n SER 1002N -2.91 1.07 -3.95 0.00 3.41 -1.26 -4.93 113.62 105.05 1hq0 n SER 1002Ca 0.03 -0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 57.97 1hq0 n SER 1002Cb 0.54 1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 65.60 1hq0 n SER 1002CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hq0 s GLU 1003N -2.57 0.42 0.20 4.33 2.02 -1.26 -5.06 118.70 116.77 1hq0 s GLU 1003Ca 0.01 -0.17 0.10 0.00 0.02 0.00 0.00 54.97 54.94 1hq0 s GLU 1003Cb 0.10 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 1hq0 s GLU 1003CO 0.58 0.09 -0.17 0.96 0.02 0.00 0.00 175.26 176.75 1hq0 s ILE 1004N -0.05 2.74 -0.04 -1.63 -4.36 -1.26 -2.99 121.20 113.61 1hq0 s ILE 1004Ca 0.01 -1.93 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1hq0 s ILE 1004Cb -0.03 -2.36 0.03 0.00 1.25 0.00 0.00 42.46 41.36 1hq0 s ILE 1004CO -0.00 -0.16 0.03 -0.44 0.24 0.00 0.00 174.94 174.60 1hq0 s SER 1005N -2.89 0.81 0.29 4.36 0.01 -0.80 -4.95 113.70 110.54 1hq0 s SER 1005Ca 0.24 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.23 1hq0 s SER 1005Cb -0.08 -0.19 -0.10 0.00 0.21 0.00 0.00 66.02 65.86 1hq0 s SER 1005CO 0.13 -0.18 1.16 0.54 0.41 0.00 0.00 173.24 175.30 1hq0 s VAL 1006N 1.62 3.30 -0.03 3.43 0.11 -1.26 -0.79 120.40 126.79 1hq0 s VAL 1006Ca -0.02 1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 60.32 1hq0 s VAL 1006Cb -0.13 -3.83 -0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1hq0 s VAL 1006CO -0.03 0.31 -0.03 0.18 -3.33 0.00 0.00 175.10 172.20 1hq0 n LEU 1007N 1.16 1.54 -3.95 2.54 4.77 0.13 -4.92 117.00 118.26 1hq0 n LEU 1007Ca -0.01 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1hq0 n LEU 1007Cb 0.44 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1hq0 n LEU 1007CO 0.55 0.29 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.99 1hq0 s LYS 1008N -2.05 0.26 0.01 3.23 1.02 -1.19 -4.98 119.74 116.04 1hq0 s LYS 1008Ca -0.04 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1hq0 s LYS 1008Cb 0.01 -0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1hq0 s LYS 1008CO 0.05 0.01 -0.04 0.08 -0.92 0.00 0.00 175.35 174.53 1hq0 s VAL 1009N -0.79 0.26 -0.07 3.17 1.01 -1.26 -0.67 120.40 122.06 1hq0 s VAL 1009Ca -0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1hq0 s VAL 1009Cb -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1hq0 s VAL 1009CO -0.00 -0.12 0.00 0.12 0.00 0.00 0.00 175.10 175.10 1hq0 s PHE 1010N -0.56 0.67 -0.12 5.22 5.36 0.51 -5.00 117.98 124.06 1hq0 s PHE 1010Ca -0.04 -0.17 -0.00 0.00 -0.96 0.00 0.00 56.93 55.76 1hq0 s PHE 1010Cb -0.04 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.82 1hq0 s PHE 1010CO -0.00 -0.33 -0.12 0.45 -1.46 0.00 0.00 175.22 173.76 1hq0 s SER 1011N 1.96 4.14 -0.07 6.13 0.15 -1.26 -1.32 113.70 123.42 1hq0 s SER 1011Ca 0.05 -0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 1hq0 s SER 1011Cb -0.12 -1.52 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 1hq0 s SER 1011CO -0.05 0.20 0.19 -0.75 1.20 0.00 0.00 173.24 174.02 1hq0 s LYS 1012N 0.17 0.20 -0.12 5.44 2.20 -0.28 -5.01 119.74 122.33 1hq0 s LYS 1012Ca -0.06 0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.79 1hq0 s LYS 1012Cb -0.15 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1hq0 s LYS 1012CO 0.05 -0.06 0.13 0.21 -0.36 0.00 0.00 175.35 175.31 1hq0 s LYS 1013N 0.41 3.45 0.00 4.03 2.20 -1.26 0.09 119.74 128.66 1hq0 s LYS 1013Ca -0.03 -0.15 0.09 0.00 -0.36 0.00 0.00 55.97 55.52 1hq0 s LYS 1013Cb -0.04 -3.17 0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1hq0 s LYS 1013CO -0.02 0.75 0.78 1.19 -0.36 0.00 0.00 175.35 177.69