#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz1 s ASN 715 N 0.00 4.27 0.14 1.69 0.01 -1.26 -4.96 114.94 114.83 3kz1 s ASN 715 Ca 0.00 0.95 -0.11 0.00 -0.71 0.00 0.00 52.86 53.00 3kz1 s ASN 715 Cb 0.00 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 40.07 3kz1 s ASN 715 CO 0.00 -2.07 1.45 -0.25 -1.51 0.00 0.00 177.10 174.72 3kz1 h TRP 716 N -1.17 1.10 -0.84 2.20 7.01 -1.90 -2.56 115.95 119.79 3kz1 h TRP 716 Ca -0.48 -0.36 -0.01 0.00 2.11 0.00 0.00 58.89 60.15 3kz1 h TRP 716 Cb 1.31 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.11 3kz1 h TRP 716 CO 0.35 1.19 0.49 1.96 -2.79 0.00 0.00 178.44 179.64 3kz1 h GLN 717 N 0.71 1.15 0.00 2.65 4.20 -1.95 -2.51 115.11 119.36 3kz1 h GLN 717 Ca 0.04 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3kz1 h GLN 717 Cb 1.06 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3kz1 h GLN 717 CO 0.11 0.82 -0.52 0.45 -0.67 0.00 0.00 178.83 179.02 3kz1 h HIS 718 N 1.17 0.00 -3.20 2.96 3.86 -1.92 -3.37 115.15 114.65 3kz1 h HIS 718 Ca 0.30 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 3kz1 h HIS 718 Cb -0.02 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.47 3kz1 h HIS 718 CO 0.01 0.52 0.05 2.41 0.86 0.00 0.00 177.93 181.77 3kz1 n THR 719 N -3.52 0.00 0.00 2.45 -1.04 -0.95 -4.68 114.28 106.55 3kz1 n THR 719 Ca -0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3kz1 n THR 719 Cb 0.62 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 3kz1 n THR 719 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3kz1 n VAL 720 N -1.94 0.00 0.00 12.58 3.14 -1.25 -4.71 118.33 126.15 3kz1 n VAL 720 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3kz1 n VAL 720 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 3kz1 n VAL 720 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kz1 n GLY 721 N 0.00 4.60 0.25 7.55 0.00 -1.26 -4.80 105.19 111.54 3kz1 n GLY 721 Ca 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.18 3kz1 n GLY 721 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kz1 h LYS 722 N 0.00 0.00 -0.58 1.61 -0.00 -1.84 -2.07 116.57 113.68 3kz1 h LYS 722 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 3kz1 h LYS 722 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 3kz1 h LYS 722 CO 0.00 0.12 0.21 -0.44 -0.00 0.00 0.00 179.45 179.34 3kz1 h ASP 723 N 0.00 0.83 1.19 7.07 3.32 -1.96 -3.02 116.42 123.84 3kz1 h ASP 723 Ca -0.00 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 3kz1 h ASP 723 Cb 0.54 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3kz1 h ASP 723 CO 0.02 0.79 -0.66 0.58 -1.72 0.00 0.00 179.24 178.25 3kz1 h VAL 724 N 0.81 1.19 -0.01 -1.35 2.07 -1.70 -2.95 116.25 114.32 3kz1 h VAL 724 Ca 0.19 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3kz1 h VAL 724 Cb 0.24 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3kz1 h VAL 724 CO -0.01 0.65 -0.08 1.33 0.02 0.00 0.00 177.57 179.47 3kz1 n VAL 725 N -3.34 0.00 -0.27 2.57 0.24 -0.99 -4.52 118.33 112.02 3kz1 n VAL 725 Ca 0.01 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.18 3kz1 n VAL 725 Cb 0.77 0.07 0.05 0.00 -1.47 0.00 0.00 33.84 33.26 3kz1 n VAL 725 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kz1 h ALA 726 N 3.88 0.21 -0.93 2.33 0.00 -1.38 -2.84 119.26 120.54 3kz1 h ALA 726 Ca 0.00 0.24 -0.64 0.00 0.00 0.00 0.00 54.91 54.51 3kz1 h ALA 726 Cb 0.36 0.77 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 3kz1 h ALA 726 CO 0.00 -0.57 0.37 0.41 0.00 0.00 0.00 179.25 179.46 3kz1 n GLY 727 N -1.48 6.04 3.20 0.00 0.00 -1.26 -4.98 105.19 106.71 3kz1 n GLY 727 Ca 0.08 -2.42 -0.26 0.00 0.00 0.00 0.00 46.02 43.42 3kz1 n GLY 727 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kz1 s LEU 728 N -3.76 2.04 0.82 0.99 1.43 -1.07 -5.14 118.68 113.99 3kz1 s LEU 728 Ca 0.61 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3kz1 s LEU 728 Cb 0.48 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.79 3kz1 s LEU 728 CO -0.00 0.23 1.12 0.28 0.23 0.00 0.00 176.35 178.21 3kz1 s THR 729 N -0.47 2.81 0.35 5.49 -1.32 -1.26 -4.85 115.64 116.39 3kz1 s THR 729 Ca 0.07 0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 3kz1 s THR 729 Cb -0.07 -2.60 0.27 0.00 -1.51 0.00 0.00 72.50 68.59 3kz1 s THR 729 CO -0.01 -0.33 2.01 -0.61 -2.21 0.00 0.00 174.62 173.47 3kz1 h GLN 730 N -1.30 0.83 -0.54 7.08 5.75 -1.99 -1.98 115.11 122.96 3kz1 h GLN 730 Ca -0.44 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 57.93 3kz1 h GLN 730 Cb 1.25 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 3kz1 h GLN 730 CO 0.48 0.55 0.01 -0.09 -2.65 0.00 0.00 178.83 177.12 3kz1 h ARG 731 N 0.86 0.95 -0.34 1.69 2.43 -1.97 -1.57 114.38 116.43 3kz1 h ARG 731 Ca 0.24 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3kz1 h ARG 731 Cb -0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3kz1 h ARG 731 CO -0.05 0.96 -0.20 1.49 -1.51 0.00 0.00 179.97 180.66 3kz1 h GLU 732 N 0.83 0.64 0.35 0.20 4.57 -1.75 -0.28 114.58 119.14 3kz1 h GLU 732 Ca 0.15 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3kz1 h GLU 732 Cb 0.52 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3kz1 h GLU 732 CO 0.03 0.79 -0.17 0.82 -1.18 0.00 0.00 179.01 179.30 3kz1 h ILE 733 N 0.57 0.61 -0.43 2.32 2.04 -1.28 -0.45 117.51 120.89 3kz1 h ILE 733 Ca 0.09 -0.58 0.12 0.00 1.00 0.00 0.00 64.86 65.49 3kz1 h ILE 733 Cb 0.65 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3kz1 h ILE 733 CO 0.05 0.10 0.36 0.44 0.00 0.00 0.00 178.15 179.09 3kz1 h ASP 734 N -0.82 0.00 -0.10 1.72 3.32 -1.19 0.15 116.42 119.50 3kz1 h ASP 734 Ca -0.05 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.79 3kz1 h ASP 734 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3kz1 h ASP 734 CO 0.08 0.00 -0.76 -0.09 -1.72 0.00 0.00 179.24 176.75 3kz1 h ARG 735 N 0.00 0.69 0.00 3.56 2.43 -0.72 -2.92 114.38 117.42 3kz1 h ARG 735 Ca 0.20 -0.61 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3kz1 h ARG 735 Cb 0.91 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3kz1 h ARG 735 CO -0.00 1.22 -0.20 1.96 -1.51 0.00 0.00 179.97 181.44 3kz1 h GLN 736 N 0.37 0.00 -0.11 0.20 1.08 0.92 -1.95 115.11 115.62 3kz1 h GLN 736 Ca -0.07 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.96 3kz1 h GLN 736 Cb 1.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 3kz1 h GLN 736 CO 0.15 0.20 -0.67 0.93 -0.95 0.00 0.00 178.83 178.49 3kz1 h GLU 737 N 0.00 0.43 0.16 1.46 4.39 -0.93 -0.49 114.58 119.60 3kz1 h GLU 737 Ca -0.00 -0.32 -0.29 0.00 0.34 0.00 0.00 59.36 59.08 3kz1 h GLU 737 Cb 0.40 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3kz1 h GLU 737 CO 0.03 0.95 -1.35 0.28 -1.16 0.00 0.00 179.01 177.76 3kz1 h VAL 738 N 0.31 1.39 -0.46 3.13 2.07 -1.32 -2.98 116.25 118.39 3kz1 h VAL 738 Ca -0.02 -2.94 -0.07 0.00 0.82 0.00 0.00 66.70 64.49 3kz1 h VAL 738 Cb 1.23 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 3kz1 h VAL 738 CO 0.12 0.86 0.02 0.40 0.02 0.00 0.00 177.57 178.99 3kz1 h ILE 739 N 0.09 1.26 -0.55 4.57 2.04 -1.25 -2.17 117.51 121.49 3kz1 h ILE 739 Ca -0.18 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.70 3kz1 h ILE 739 Cb 2.02 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3kz1 h ILE 739 CO 0.21 0.35 0.37 -1.13 0.00 0.00 0.00 178.15 177.95 3kz1 h ASN 740 N 0.66 0.52 -0.42 1.72 -0.73 -1.14 -1.72 115.58 114.46 3kz1 h ASN 740 Ca 0.13 -0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 3kz1 h ASN 740 Cb 0.47 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 3kz1 h ASN 740 CO 0.02 0.35 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.24 3kz1 h GLU 741 N 0.60 0.82 -0.26 6.67 4.81 -1.24 -0.46 114.58 125.53 3kz1 h GLU 741 Ca 0.23 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3kz1 h GLU 741 Cb 0.15 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3kz1 h GLU 741 CO -0.06 0.95 0.00 1.25 -0.73 0.00 0.00 179.01 180.42 3kz1 h LEU 742 N 0.65 -0.10 -0.43 1.64 5.85 -0.98 -1.04 115.31 120.90 3kz1 h LEU 742 Ca 0.10 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kz1 h LEU 742 Cb 0.65 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3kz1 h LEU 742 CO 0.04 -0.02 0.23 -0.26 -0.34 0.00 0.00 178.44 178.10 3kz1 h PHE 743 N 0.08 0.59 -0.20 1.25 -1.00 -0.88 -2.06 116.94 114.72 3kz1 h PHE 743 Ca 0.13 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.80 3kz1 h PHE 743 Cb 0.16 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 3kz1 h PHE 743 CO -0.20 0.45 -0.25 0.28 -1.61 0.00 0.00 178.31 176.97 3kz1 h VAL 744 N 0.56 1.33 0.00 -0.55 2.07 -0.89 -2.37 116.25 116.40 3kz1 h VAL 744 Ca 0.15 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3kz1 h VAL 744 Cb 0.05 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kz1 h VAL 744 CO -0.02 0.44 0.00 0.71 0.02 0.00 0.00 177.57 178.72 3kz1 h THR 745 N 0.19 0.00 -0.09 2.57 1.35 -1.19 -2.12 112.91 113.61 3kz1 h THR 745 Ca 0.03 -0.57 -0.16 0.00 -0.55 0.00 0.00 66.41 65.15 3kz1 h THR 745 Cb 0.82 1.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3kz1 h THR 745 CO 0.06 0.00 -0.58 -0.08 -0.25 0.00 0.00 175.52 174.67 3kz1 h GLU 746 N 0.00 0.56 -0.69 4.72 4.57 -1.14 -1.77 114.58 120.83 3kz1 h GLU 746 Ca 0.00 -0.47 0.09 0.00 -1.18 0.00 0.00 59.36 57.79 3kz1 h GLU 746 Cb 0.58 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 3kz1 h GLU 746 CO 0.00 1.10 0.34 0.00 -1.18 0.00 0.00 179.01 179.27 3kz1 h ALA 747 N 0.46 0.94 -0.62 2.92 0.00 -0.97 -1.51 119.26 120.48 3kz1 h ALA 747 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kz1 h ALA 747 Cb 1.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3kz1 h ALA 747 CO 0.12 -0.05 0.21 0.77 0.00 0.00 0.00 179.25 180.30 3kz1 h SER 748 N 0.59 0.85 -0.15 0.00 0.02 -1.36 -2.70 113.55 110.80 3kz1 h SER 748 Ca 0.34 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.96 3kz1 h SER 748 Cb 0.34 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kz1 h SER 748 CO -0.26 0.79 -0.62 -0.74 -1.14 0.00 0.00 176.83 174.86 3kz1 h HIS 749 N 0.90 0.98 -0.75 3.45 6.17 -0.65 -1.08 115.15 124.17 3kz1 h HIS 749 Ca 0.21 -0.37 -0.02 0.00 0.71 0.00 0.00 60.37 60.89 3kz1 h HIS 749 Cb 0.23 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 29.95 3kz1 h HIS 749 CO 0.02 1.18 0.39 1.25 0.71 0.00 0.00 177.93 181.47 3kz1 h LEU 750 N 0.57 0.95 -0.53 0.26 6.46 -1.27 -1.31 115.31 120.44 3kz1 h LEU 750 Ca -0.01 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 3kz1 h LEU 750 Cb 1.21 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 3kz1 h LEU 750 CO 0.13 0.80 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.62 3kz1 h ARG 751 N 1.04 0.97 -0.64 1.25 2.43 -1.38 -1.40 114.38 116.65 3kz1 h ARG 751 Ca 0.26 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3kz1 h ARG 751 Cb 0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kz1 h ARG 751 CO -0.04 1.00 0.42 1.15 -1.51 0.00 0.00 179.97 180.99 3kz1 h THR 752 N 0.84 1.13 -0.16 0.20 2.02 -0.61 0.12 112.91 116.46 3kz1 h THR 752 Ca 0.15 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 3kz1 h THR 752 Cb 0.58 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3kz1 h THR 752 CO 0.03 0.15 -0.44 -0.07 0.37 0.00 0.00 175.52 175.56 3kz1 h LEU 753 N 0.82 0.40 -0.44 2.58 3.38 -0.56 -2.34 115.31 119.16 3kz1 h LEU 753 Ca 0.24 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3kz1 h LEU 753 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kz1 h LEU 753 CO -0.06 0.80 -0.76 0.03 0.09 0.00 0.00 178.44 178.53 3kz1 h ARG 754 N 0.31 0.19 -0.30 1.13 3.08 -0.20 -1.80 114.38 116.81 3kz1 h ARG 754 Ca 0.02 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kz1 h ARG 754 Cb 0.90 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3kz1 h ARG 754 CO 0.08 0.86 0.17 0.28 -1.07 0.00 0.00 179.97 180.29 3kz1 h VAL 755 N 0.12 1.03 -0.64 2.04 2.07 -0.66 -0.46 116.25 119.75 3kz1 h VAL 755 Ca -0.03 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3kz1 h VAL 755 Cb 1.34 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 3kz1 h VAL 755 CO 0.12 0.06 0.30 -0.07 0.02 0.00 0.00 177.57 178.00 3kz1 h LEU 756 N 0.35 0.38 0.45 2.57 3.38 -1.15 -0.26 115.31 121.03 3kz1 h LEU 756 Ca 0.12 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kz1 h LEU 756 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kz1 h LEU 756 CO -0.06 0.23 -0.21 -0.78 0.09 0.00 0.00 178.44 177.71 3kz1 h ASP 757 N 0.53 -0.51 -0.07 -0.43 3.58 -1.02 0.34 116.42 118.84 3kz1 h ASP 757 Ca 0.31 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.57 3kz1 h ASP 757 Cb 0.31 0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.50 3kz1 h ASP 757 CO -0.25 -0.26 -0.49 0.25 -2.88 0.00 0.00 179.24 175.61 3kz1 h LEU 758 N -0.74 0.55 0.01 2.28 5.85 -0.88 0.15 115.31 122.53 3kz1 h LEU 758 Ca -0.06 -0.67 -0.30 0.00 0.84 0.00 0.00 57.88 57.68 3kz1 h LEU 758 Cb 0.53 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3kz1 h LEU 758 CO 0.10 1.14 -1.79 -0.38 -0.34 0.00 0.00 178.44 177.17 3kz1 n ILE 759 N -4.27 1.61 -0.03 4.05 -0.00 -0.13 -4.04 119.36 116.56 3kz1 n ILE 759 Ca -0.09 -0.79 -0.04 0.00 -0.00 0.00 0.00 62.75 61.84 3kz1 n ILE 759 Cb 0.60 -1.07 -0.01 0.00 -0.00 0.00 0.00 39.64 39.15 3kz1 n ILE 759 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 3kz1 n PHE 760 N -3.07 0.00 -0.21 1.39 3.72 -0.91 -4.51 117.46 113.86 3kz1 n PHE 760 Ca -0.20 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.17 3kz1 n PHE 760 Cb 1.06 -0.21 0.07 0.00 -0.94 0.00 0.00 39.48 39.46 3kz1 n PHE 760 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3kz1 h TYR 761 N -0.41 0.69 -0.02 1.38 3.20 -0.80 -1.05 116.97 119.96 3kz1 h TYR 761 Ca 0.00 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 3kz1 h TYR 761 Cb 0.41 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.47 3kz1 h TYR 761 CO -0.18 0.38 -0.93 1.96 -1.64 0.00 0.00 178.16 177.75 3kz1 h GLN 762 N 0.72 0.52 -0.31 1.82 1.08 -0.88 -1.95 115.11 116.11 3kz1 h GLN 762 Ca 0.26 -0.53 -0.15 0.00 -1.45 0.00 0.00 58.65 56.78 3kz1 h GLN 762 Cb 0.06 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3kz1 h GLN 762 CO -0.12 1.16 -0.40 0.00 -0.95 0.00 0.00 178.83 178.53 3kz1 h ARG 763 N 0.31 0.75 -0.50 1.46 3.08 -1.66 -0.99 114.38 116.84 3kz1 h ARG 763 Ca -0.08 -0.39 -0.13 0.00 0.07 0.00 0.00 59.98 59.44 3kz1 h ARG 763 Cb 1.56 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 3kz1 h ARG 763 CO 0.17 1.01 -0.20 0.52 -1.07 0.00 0.00 179.97 180.40 3kz1 h MET 764 N 0.62 1.01 0.02 0.04 2.86 -1.18 -2.06 114.93 116.24 3kz1 h MET 764 Ca 0.05 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3kz1 h MET 764 Cb 0.94 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3kz1 h MET 764 CO 0.09 1.11 -0.01 -0.22 1.06 0.00 0.00 176.91 178.94 3kz1 h LYS 765 N 0.88 -0.03 -0.72 1.72 3.64 -1.19 -2.42 116.57 118.45 3kz1 h LYS 765 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3kz1 h LYS 765 Cb 0.79 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3kz1 h LYS 765 CO 0.07 0.11 0.30 -0.22 -2.27 0.00 0.00 179.45 177.44 3kz1 h LYS 766 N -0.16 1.06 -0.03 1.90 3.64 -1.16 -3.12 116.57 118.70 3kz1 h LYS 766 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kz1 h LYS 766 Cb 0.15 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3kz1 h LYS 766 CO 0.00 0.85 -0.05 0.39 -2.27 0.00 0.00 179.45 178.38 3kz1 n GLU 767 N -4.30 2.08 -3.33 1.90 1.02 -0.78 -4.98 120.64 112.24 3kz1 n GLU 767 Ca 0.07 -1.63 -0.16 0.00 -0.02 0.00 0.00 57.16 55.41 3kz1 n GLU 767 Cb 0.17 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 3kz1 n GLU 767 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kz1 n ASN 768 N 0.97 -6.51 0.08 1.62 2.85 -0.92 -4.90 115.26 108.45 3kz1 n ASN 768 Ca 0.15 -0.68 0.06 0.00 -0.11 0.00 0.00 54.58 54.00 3kz1 n ASN 768 Cb 0.54 -4.71 -0.03 0.00 1.24 0.00 0.00 39.78 36.82 3kz1 n ASN 768 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3kz1 h LEU 769 N -0.97 0.00 -8.35 1.20 -0.00 -1.85 -3.47 115.31 101.86 3kz1 h LEU 769 Ca -0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.24 3kz1 h LEU 769 Cb 1.27 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.82 3kz1 h LEU 769 CO 0.42 0.28 -0.30 0.00 -0.00 0.00 0.00 178.44 178.85 3kz1 s MET 770 N -3.14 1.41 0.62 1.13 0.23 -1.26 -5.04 119.30 113.25 3kz1 s MET 770 Ca -0.01 -1.37 -0.18 0.00 -1.03 0.00 0.00 55.69 53.10 3kz1 s MET 770 Cb 0.09 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 3kz1 s MET 770 CO 0.79 -0.55 1.20 -1.25 -2.03 0.00 0.00 175.02 173.19 3kz1 s PRO 771 N -4.06 2.80 0.18 3.16 0.04 -1.26 -4.86 135.00 131.00 3kz1 s PRO 771 Ca 0.28 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 3kz1 s PRO 771 Cb 0.02 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.81 3kz1 s PRO 771 CO 0.10 -1.33 1.66 -0.09 0.04 0.00 0.00 177.00 177.38 3kz1 h ARG 772 N 0.59 0.04 -0.17 4.56 9.65 -2.00 -2.03 114.38 125.00 3kz1 h ARG 772 Ca -0.50 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.36 3kz1 h ARG 772 Cb 1.29 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 3kz1 h ARG 772 CO 0.54 0.02 -0.01 0.93 2.80 0.00 0.00 179.97 184.25 3kz1 h GLU 773 N 0.04 0.25 -0.10 0.20 5.08 -1.99 0.05 114.58 118.11 3kz1 h GLU 773 Ca 0.24 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 3kz1 h GLU 773 Cb 0.37 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3kz1 h GLU 773 CO -0.47 0.28 -0.74 1.49 -1.00 0.00 0.00 179.01 178.57 3kz1 h GLU 774 N 0.25 0.51 -0.34 2.33 4.81 -1.76 -2.39 114.58 117.99 3kz1 h GLU 774 Ca 0.06 -0.42 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 3kz1 h GLU 774 Cb 0.19 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kz1 h GLU 774 CO 0.00 1.05 -0.44 1.25 -0.73 0.00 0.00 179.01 180.15 3kz1 h LEU 775 N 0.35 0.97 -2.10 1.64 5.85 -0.97 -3.03 115.31 118.03 3kz1 h LEU 775 Ca -0.04 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3kz1 h LEU 775 Cb 1.33 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3kz1 h LEU 775 CO 0.13 1.27 -0.08 0.00 -0.34 0.00 0.00 178.44 179.43 3kz1 h ALA 776 N 0.73 1.35 -0.05 1.25 0.00 -0.92 -2.01 119.26 119.61 3kz1 h ALA 776 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3kz1 h ALA 776 Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3kz1 h ALA 776 CO 0.10 0.10 -0.70 0.00 0.00 0.00 0.00 179.25 178.75 3kz1 h ARG 777 N 0.00 0.25 -0.05 0.00 3.08 -1.31 -2.89 114.38 113.46 3kz1 h ARG 777 Ca -0.00 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 3kz1 h ARG 777 Cb 0.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3kz1 h ARG 777 CO 0.01 0.85 -0.30 1.25 -1.07 0.00 0.00 179.97 180.72 3kz1 h LEU 778 N 0.17 0.35 -7.01 3.04 6.46 -1.32 -3.40 115.31 113.60 3kz1 h LEU 778 Ca -0.02 -0.67 -0.62 0.00 -0.12 0.00 0.00 57.88 56.45 3kz1 h LEU 778 Cb 1.25 -0.10 -0.40 0.00 -0.73 0.00 0.00 40.66 40.67 3kz1 h LEU 778 CO 0.11 0.96 -0.70 -0.36 -0.62 0.00 0.00 178.44 177.83 3kz1 s PHE 779 N -3.54 2.51 0.12 1.25 0.08 -0.98 -4.97 117.98 112.44 3kz1 s PHE 779 Ca -0.15 -2.79 -0.08 0.00 0.12 0.00 0.00 56.93 54.03 3kz1 s PHE 779 Cb 0.03 -2.15 -0.11 0.00 -0.57 0.00 0.00 43.02 40.22 3kz1 s PHE 779 CO 0.76 -0.72 1.30 -1.35 -0.10 0.00 0.00 175.22 175.12 3kz1 h PRO 780 N 6.19 0.56 -0.49 0.24 0.11 -1.72 -3.39 132.00 133.50 3kz1 h PRO 780 Ca 0.05 -0.54 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 3kz1 h PRO 780 Cb 0.87 0.14 -0.30 0.00 0.11 0.00 0.00 31.00 31.82 3kz1 h PRO 780 CO 0.57 1.17 -0.83 0.27 -0.21 0.00 0.00 178.00 178.96 3kz1 n ASN 781 N -3.83 0.17 -0.09 -2.05 6.94 -1.26 -4.96 115.26 110.18 3kz1 n ASN 781 Ca -0.07 -2.45 -0.06 0.00 -0.02 0.00 0.00 54.58 51.97 3kz1 n ASN 781 Cb 0.80 0.06 0.01 0.00 -2.36 0.00 0.00 39.78 38.30 3kz1 n ASN 781 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3kz1 h LEU 782 N 2.40 -0.04 -1.43 -4.53 5.85 -1.98 -0.89 115.31 114.70 3kz1 h LEU 782 Ca -0.20 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.71 3kz1 h LEU 782 Cb 1.24 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 3kz1 h LEU 782 CO 0.20 0.02 0.52 -0.65 -0.34 0.00 0.00 178.44 178.19 3kz1 h PRO 783 N 0.15 0.57 0.18 5.25 0.11 -1.94 -0.01 132.00 136.30 3kz1 h PRO 783 Ca 0.16 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.94 3kz1 h PRO 783 Cb 0.19 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.19 3kz1 h PRO 783 CO -0.23 0.38 -1.34 0.93 -0.21 0.00 0.00 178.00 177.53 3kz1 h GLU 784 N 0.59 0.37 -0.53 1.05 3.07 -1.76 -2.16 114.58 115.20 3kz1 h GLU 784 Ca 0.39 -0.64 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 3kz1 h GLU 784 Cb 0.68 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 3kz1 h GLU 784 CO -0.15 1.31 0.28 1.25 -1.40 0.00 0.00 179.01 180.30 3kz1 h LEU 785 N 0.10 0.67 -0.68 1.33 5.85 -0.70 -2.35 115.31 119.53 3kz1 h LEU 785 Ca -0.18 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3kz1 h LEU 785 Cb 2.05 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.88 3kz1 h LEU 785 CO 0.23 0.58 0.30 0.40 -0.34 0.00 0.00 178.44 179.61 3kz1 h ILE 786 N 0.71 1.24 -0.69 4.05 2.04 -1.01 -2.12 117.51 121.73 3kz1 h ILE 786 Ca 0.18 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.37 3kz1 h ILE 786 Cb 0.07 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3kz1 h ILE 786 CO -0.03 0.29 0.45 -0.08 0.00 0.00 0.00 178.15 178.78 3kz1 h GLU 787 N 0.96 0.83 0.32 2.37 4.57 -1.27 0.11 114.58 122.47 3kz1 h GLU 787 Ca 0.23 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 3kz1 h GLU 787 Cb 0.17 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3kz1 h GLU 787 CO -0.02 0.55 -0.15 0.82 -1.18 0.00 0.00 179.01 179.02 3kz1 h ILE 788 N 0.86 0.70 0.00 2.32 2.04 -0.84 -2.20 117.51 120.39 3kz1 h ILE 788 Ca 0.27 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3kz1 h ILE 788 Cb 0.02 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3kz1 h ILE 788 CO -0.07 0.08 0.00 1.41 0.00 0.00 0.00 178.15 179.57 3kz1 n HIS 789 N -5.18 0.92 0.07 1.37 8.25 -1.05 -2.63 115.22 116.98 3kz1 n HIS 789 Ca -0.10 0.31 -0.21 0.00 -0.26 0.00 0.00 57.72 57.46 3kz1 n HIS 789 Cb 0.25 -1.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.21 3kz1 n HIS 789 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3kz1 h ASN 790 N 0.00 0.61 0.24 0.41 -1.24 -0.71 -2.46 115.58 112.43 3kz1 h ASN 790 Ca 0.00 -0.91 -0.09 0.00 0.71 0.00 0.00 56.30 56.01 3kz1 h ASN 790 Cb 0.57 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3kz1 h ASN 790 CO 0.00 1.47 -0.34 0.77 -1.29 0.00 0.00 177.43 178.04 3kz1 h SER 791 N -0.16 0.16 0.10 1.15 4.64 -1.34 -0.08 113.55 118.02 3kz1 h SER 791 Ca -0.17 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 60.83 3kz1 h SER 791 Cb 1.76 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 63.83 3kz1 h SER 791 CO 0.19 0.50 -1.10 -0.25 -0.87 0.00 0.00 176.83 175.30 3kz1 h TRP 792 N 0.14 0.93 -0.31 4.77 7.01 -1.60 -2.97 115.95 123.91 3kz1 h TRP 792 Ca 0.02 -0.57 -0.09 0.00 2.11 0.00 0.00 58.89 60.35 3kz1 h TRP 792 Cb 0.67 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 3kz1 h TRP 792 CO 0.01 1.41 -0.20 0.00 -2.79 0.00 0.00 178.44 176.88 3kz1 h GLU 794 N 0.52 0.00 0.00 0.00 4.39 -1.03 -1.78 114.58 116.68 3kz1 h GLU 794 Ca 0.08 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.59 3kz1 h GLU 794 Cb 0.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 3kz1 h GLU 794 CO 0.04 0.21 -0.93 0.00 -1.16 0.00 0.00 179.01 177.17 3kz1 h ALA 795 N 1.79 0.43 -0.06 3.43 0.00 -1.29 -1.49 119.26 122.06 3kz1 h ALA 795 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 3kz1 h ALA 795 Cb 0.86 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kz1 h ALA 795 CO 0.03 1.17 -0.03 0.52 0.00 0.00 0.00 179.25 180.94 3kz1 h MET 796 N 0.00 0.12 -0.07 0.00 2.86 -1.11 -2.34 114.93 114.40 3kz1 h MET 796 Ca -0.01 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3kz1 h MET 796 Cb 1.69 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 3kz1 h MET 796 CO 0.12 0.49 -0.09 -0.22 1.06 0.00 0.00 176.91 178.28 3kz1 h LYS 797 N -0.25 0.10 0.00 1.72 3.64 -1.28 -1.50 116.57 119.00 3kz1 h LYS 797 Ca 0.01 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3kz1 h LYS 797 Cb 0.45 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3kz1 h LYS 797 CO 0.01 0.19 -0.67 -0.22 -2.27 0.00 0.00 179.45 176.49 3kz1 h LYS 798 N 0.10 0.00 -0.21 1.90 3.11 -1.19 -2.82 116.57 117.45 3kz1 h LYS 798 Ca 0.02 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.73 3kz1 h LYS 798 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 3kz1 h LYS 798 CO 0.01 0.67 -0.38 1.25 -2.81 0.00 0.00 179.45 178.20 3kz1 h LEU 799 N 0.00 0.69 -2.77 5.20 5.85 -0.80 -3.17 115.31 120.31 3kz1 h LEU 799 Ca -0.01 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 3kz1 h LEU 799 Cb 1.25 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3kz1 h LEU 799 CO 0.09 1.10 -0.00 -0.09 -0.34 0.00 0.00 178.44 179.19 3kz1 h ARG 800 N 0.30 0.00 0.00 1.25 1.12 -1.10 -2.87 114.38 113.09 3kz1 h ARG 800 Ca 0.01 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 3kz1 h ARG 800 Cb 0.97 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.93 3kz1 h ARG 800 CO 0.08 0.00 -0.16 0.93 -3.11 0.00 0.00 179.97 177.72 3kz1 h GLU 801 N 0.00 0.00 -1.67 0.20 5.08 -1.47 -3.03 114.58 113.69 3kz1 h GLU 801 Ca -0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 3kz1 h GLU 801 Cb 0.07 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.02 3kz1 h GLU 801 CO 0.00 0.16 0.76 -0.85 -1.00 0.00 0.00 179.01 178.07 3kz1 n GLU 802 N -4.22 2.84 0.00 2.33 0.28 -1.08 -4.97 120.64 115.82 3kz1 n GLU 802 Ca -0.02 -3.60 0.00 0.00 -0.16 0.00 0.00 57.16 53.37 3kz1 n GLU 802 Cb 0.23 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.83 3kz1 n GLU 802 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kz1 n GLY 803 N -0.63 2.66 0.25 -1.84 0.00 -1.14 -4.88 105.19 99.61 3kz1 n GLY 803 Ca 0.54 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 45.06 3kz1 n GLY 803 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kz1 h PRO 804 N 0.00 0.00 -6.19 1.61 0.11 -1.94 -3.39 132.00 122.20 3kz1 h PRO 804 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 3kz1 h PRO 804 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 3kz1 h PRO 804 CO 0.00 0.14 0.66 0.42 -0.21 0.00 0.00 178.00 179.01 3kz1 s ILE 805 N -3.74 4.52 -0.16 4.15 1.01 -1.26 -5.01 121.20 120.70 3kz1 s ILE 805 Ca 0.00 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 3kz1 s ILE 805 Cb 0.10 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3kz1 s ILE 805 CO 0.60 -0.63 0.55 -0.63 0.00 0.00 0.00 174.94 174.83 3kz1 s ILE 806 N 3.65 5.10 0.00 2.92 1.01 -1.26 -5.04 121.20 127.59 3kz1 s ILE 806 Ca 0.40 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3kz1 s ILE 806 Cb -0.11 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3kz1 s ILE 806 CO 0.21 0.21 0.00 0.29 0.00 0.00 0.00 174.94 175.65 3kz1 n LYS 807 N 4.44 0.00 -1.91 2.79 4.01 -1.26 -4.93 118.16 121.30 3kz1 n LYS 807 Ca -0.04 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.34 3kz1 n LYS 807 Cb 0.51 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.00 3kz1 n LYS 807 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3kz1 s GLU 808 N 1.29 4.20 0.00 1.97 0.41 -1.26 -4.87 118.70 120.43 3kz1 s GLU 808 Ca 0.00 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 3kz1 s GLU 808 Cb 0.00 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 3kz1 s GLU 808 CO 0.00 -0.69 0.18 1.51 -0.49 0.00 0.00 175.26 175.77 3kz1 n ILE 809 N 4.38 0.00 0.03 -1.63 3.06 -1.26 -4.78 119.36 119.17 3kz1 n ILE 809 Ca 0.15 -0.36 -0.04 0.00 -2.50 0.00 0.00 62.75 60.00 3kz1 n ILE 809 Cb 0.39 1.14 0.19 0.00 0.54 0.00 0.00 39.64 41.91 3kz1 n ILE 809 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3kz1 h SER 810 N 0.00 0.44 0.41 9.51 4.64 -1.90 -2.14 113.55 124.51 3kz1 h SER 810 Ca 0.00 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 3kz1 h SER 810 Cb 0.07 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3kz1 h SER 810 CO 0.00 0.74 -0.23 0.44 -0.87 0.00 0.00 176.83 176.91 3kz1 h ASP 811 N 0.37 0.00 -0.13 4.97 3.32 -1.97 -2.58 116.42 120.41 3kz1 h ASP 811 Ca 0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 3kz1 h ASP 811 Cb 0.75 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.31 3kz1 h ASP 811 CO 0.06 0.23 -0.71 0.25 -1.72 0.00 0.00 179.24 177.35 3kz1 h LEU 812 N 0.00 0.84 -0.92 1.55 6.46 -1.72 -3.08 115.31 118.44 3kz1 h LEU 812 Ca -0.00 -0.64 -0.11 0.00 -0.12 0.00 0.00 57.88 57.00 3kz1 h LEU 812 Cb 0.50 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3kz1 h LEU 812 CO 0.03 1.35 -0.48 0.24 -0.62 0.00 0.00 178.44 178.96 3kz1 h MET 813 N 0.39 0.15 -0.03 1.25 2.86 -1.20 -2.70 114.93 115.66 3kz1 h MET 813 Ca -0.05 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 3kz1 h MET 813 Cb 1.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 3kz1 h MET 813 CO 0.15 0.60 -0.66 -0.07 1.06 0.00 0.00 176.91 177.98 3kz1 h LEU 814 N 0.12 0.14 -1.44 1.22 3.38 -1.53 -0.76 115.31 116.44 3kz1 h LEU 814 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kz1 h LEU 814 Cb 0.89 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kz1 h LEU 814 CO 0.07 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3kz1 h ALA 815 N 1.24 1.00 0.00 1.53 0.00 -1.38 -0.97 119.26 120.68 3kz1 h ALA 815 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3kz1 h ALA 815 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kz1 h ALA 815 CO 0.09 0.00 -1.50 -2.13 0.00 0.00 0.00 179.25 175.71 3kz1 n ARG 816 N -2.48 0.85 -0.34 0.00 3.00 -1.13 -4.72 116.66 111.85 3kz1 n ARG 816 Ca -0.00 0.04 0.10 0.00 -0.00 0.00 0.00 57.85 57.98 3kz1 n ARG 816 Cb 0.14 -1.18 0.28 0.00 0.00 0.00 0.00 32.46 31.69 3kz1 n ARG 816 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3kz1 n PHE 817 N -2.64 0.87 -4.25 -0.14 3.72 -0.31 -3.79 117.46 110.92 3kz1 n PHE 817 Ca -0.15 -0.51 -0.18 0.00 -0.05 0.00 0.00 57.45 56.56 3kz1 n PHE 817 Cb 0.68 -0.03 -0.13 0.00 -0.94 0.00 0.00 39.48 39.06 3kz1 n PHE 817 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kz1 s ASP 818 N -1.01 1.48 0.96 4.37 2.15 -0.38 -4.52 116.67 119.73 3kz1 s ASP 818 Ca 0.42 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.91 3kz1 s ASP 818 Cb 0.22 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 3kz1 s ASP 818 CO 0.28 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.86 3kz1 n GLY 819 N 1.75 2.71 0.29 2.66 0.00 -1.26 -2.86 105.19 108.48 3kz1 n GLY 819 Ca -0.19 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.51 3kz1 n GLY 819 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kz1 h PRO 820 N 0.00 0.08 -0.83 1.61 0.11 -1.98 0.19 132.00 131.18 3kz1 h PRO 820 Ca 0.00 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.26 3kz1 h PRO 820 Cb 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 30.99 3kz1 h PRO 820 CO 0.00 0.05 0.39 0.00 -0.21 0.00 0.00 178.00 178.24 3kz1 h ALA 821 N 1.77 1.24 -0.53 -0.75 0.00 -1.81 0.24 119.26 119.41 3kz1 h ALA 821 Ca 0.45 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 3kz1 h ALA 821 Cb 0.81 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3kz1 h ALA 821 CO -0.73 -0.16 -0.03 -0.09 0.00 0.00 0.00 179.25 178.25 3kz1 h ARG 822 N 0.54 0.93 0.00 0.00 2.43 -0.64 -0.68 114.38 116.97 3kz1 h ARG 822 Ca 0.46 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3kz1 h ARG 822 Cb 0.70 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3kz1 h ARG 822 CO -0.40 0.94 -0.00 0.93 -1.51 0.00 0.00 179.97 179.93 3kz1 h GLU 823 N 0.85 -0.00 -0.52 0.20 4.39 -0.38 -2.27 114.58 116.85 3kz1 h GLU 823 Ca 0.15 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.91 3kz1 h GLU 823 Cb 0.54 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 3kz1 h GLU 823 CO 0.03 0.22 0.25 1.49 -1.16 0.00 0.00 179.01 179.83 3kz1 h GLU 824 N -0.22 0.46 -0.25 2.33 4.81 -0.38 -2.09 114.58 119.24 3kz1 h GLU 824 Ca -0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3kz1 h GLU 824 Cb 0.22 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kz1 h GLU 824 CO 0.00 0.30 -0.41 1.25 -0.73 0.00 0.00 179.01 179.42 3kz1 h LEU 825 N 0.47 0.79 -0.56 1.64 5.85 -1.02 -2.88 115.31 119.62 3kz1 h LEU 825 Ca 0.24 -0.53 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 3kz1 h LEU 825 Cb 0.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3kz1 h LEU 825 CO -0.19 1.17 -0.69 0.06 -0.34 0.00 0.00 178.44 178.45 3kz1 h GLN 826 N 0.45 0.18 0.12 1.25 3.07 -1.27 -1.23 115.11 117.67 3kz1 h GLN 826 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 3kz1 h GLN 826 Cb 1.01 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.60 3kz1 h GLN 826 CO 0.09 0.80 -0.06 1.96 0.09 0.00 0.00 178.83 181.71 3kz1 h GLN 827 N 0.12 -0.16 -0.01 0.06 7.50 -1.34 -1.08 115.11 120.21 3kz1 h GLN 827 Ca -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 3kz1 h GLN 827 Cb 1.23 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.79 3kz1 h GLN 827 CO 0.10 -0.04 -0.00 0.28 -1.50 0.00 0.00 178.83 177.67 3kz1 h VAL 828 N -0.24 1.28 -0.61 -0.54 2.07 -1.48 -1.79 116.25 114.95 3kz1 h VAL 828 Ca -0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kz1 h VAL 828 Cb 0.19 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3kz1 h VAL 828 CO 0.03 0.22 0.38 0.00 0.02 0.00 0.00 177.57 178.22 3kz1 h ALA 829 N 0.65 0.77 0.00 1.67 0.00 -1.29 -0.25 119.26 120.81 3kz1 h ALA 829 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kz1 h ALA 829 Cb 0.36 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3kz1 h ALA 829 CO 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.06 3kz1 h ALA 830 N 1.20 -0.67 -0.58 0.00 0.00 -1.14 -0.18 119.26 117.89 3kz1 h ALA 830 Ca 0.22 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kz1 h ALA 830 Cb -0.05 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3kz1 h ALA 830 CO -0.04 -0.96 0.39 0.37 0.00 0.00 0.00 179.25 179.01 3kz1 h GLN 831 N -0.58 0.62 0.00 0.00 4.15 -1.13 0.20 115.11 118.37 3kz1 h GLN 831 Ca 0.05 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3kz1 h GLN 831 Cb 0.65 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3kz1 h GLN 831 CO -0.32 0.41 -0.71 0.35 -1.93 0.00 0.00 178.83 176.63 3kz1 h PHE 832 N 0.64 0.00 0.00 3.99 3.57 -0.47 -3.37 116.94 121.29 3kz1 h PHE 832 Ca 0.24 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 3kz1 h PHE 832 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3kz1 h PHE 832 CO -0.00 0.71 -1.91 0.00 -2.23 0.00 0.00 178.31 174.88 3kz1 n SER 834 N -2.30 -0.87 -0.76 0.00 7.64 0.63 -2.22 113.62 115.72 3kz1 n SER 834 Ca -0.13 1.74 0.11 0.00 1.01 0.00 0.00 58.87 61.60 3kz1 n SER 834 Cb 0.69 -0.30 0.06 0.00 -1.01 0.00 0.00 64.21 63.65 3kz1 n SER 834 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kz1 n TYR 835 N -5.32 0.00 -0.27 1.43 9.36 -1.26 -4.53 117.16 116.57 3kz1 n TYR 835 Ca 0.05 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.28 3kz1 n TYR 835 Cb 0.31 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 39.16 3kz1 n TYR 835 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3kz1 h GLN 836 N 3.74 0.73 0.00 2.98 4.15 -1.69 -0.30 115.11 124.72 3kz1 h GLN 836 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3kz1 h GLN 836 Cb 0.87 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3kz1 h GLN 836 CO 0.00 0.48 -0.17 0.66 -1.93 0.00 0.00 178.83 177.87 3kz1 h SER 837 N 0.75 0.00 0.07 -0.69 4.64 -1.81 -0.78 113.55 115.73 3kz1 h SER 837 Ca 0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 3kz1 h SER 837 Cb 0.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3kz1 h SER 837 CO -0.22 0.17 -0.70 0.40 -0.87 0.00 0.00 176.83 175.60 3kz1 h ILE 838 N 0.00 1.48 -0.63 0.95 1.08 -1.43 -3.06 117.51 115.91 3kz1 h ILE 838 Ca -0.00 -2.31 0.05 0.00 -0.39 0.00 0.00 64.86 62.21 3kz1 h ILE 838 Cb 0.31 2.92 -0.05 0.00 -3.07 0.00 0.00 36.82 36.93 3kz1 h ILE 838 CO 0.02 0.66 0.35 0.00 -0.69 0.00 0.00 178.15 178.49 3kz1 h ALA 839 N 0.19 0.83 -0.57 1.87 0.00 -0.92 -2.19 119.26 118.47 3kz1 h ALA 839 Ca -0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kz1 h ALA 839 Cb 1.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3kz1 h ALA 839 CO 0.13 0.03 0.20 -0.07 0.00 0.00 0.00 179.25 179.55 3kz1 h LEU 840 N 0.65 0.77 -1.04 0.00 3.38 -1.22 -1.46 115.31 116.40 3kz1 h LEU 840 Ca 0.28 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3kz1 h LEU 840 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kz1 h LEU 840 CO -0.17 0.71 -0.30 -0.33 0.09 0.00 0.00 178.44 178.45 3kz1 h GLU 841 N 0.82 0.32 -0.43 1.13 4.39 -1.37 -0.93 114.58 118.51 3kz1 h GLU 841 Ca 0.19 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3kz1 h GLU 841 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3kz1 h GLU 841 CO -0.01 0.59 -0.21 1.25 -1.16 0.00 0.00 179.01 179.47 3kz1 h LEU 842 N 0.28 0.93 -0.11 1.33 7.12 -0.80 -1.28 115.31 122.79 3kz1 h LEU 842 Ca 0.04 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 3kz1 h LEU 842 Cb 0.67 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.54 3kz1 h LEU 842 CO 0.05 1.13 0.04 0.40 -0.13 0.00 0.00 178.44 179.93 3kz1 h ILE 843 N 0.73 1.16 -0.29 4.05 5.03 -0.99 0.33 117.51 127.52 3kz1 h ILE 843 Ca 0.10 -0.49 0.06 0.00 -0.12 0.00 0.00 64.86 64.41 3kz1 h ILE 843 Cb 0.78 1.29 -0.06 0.00 -3.03 0.00 0.00 36.82 35.79 3kz1 h ILE 843 CO 0.06 0.14 -0.10 0.50 -0.68 0.00 0.00 178.15 178.08 3kz1 h LYS 844 N 0.00 -0.04 -0.23 2.37 3.64 -1.09 -1.63 116.57 119.60 3kz1 h LYS 844 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3kz1 h LYS 844 Cb 0.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3kz1 h LYS 844 CO -0.00 -0.03 -0.02 1.15 -2.27 0.00 0.00 179.45 178.28 3kz1 h THR 845 N -0.04 1.16 0.00 1.00 2.02 -0.96 -2.72 112.91 113.37 3kz1 h THR 845 Ca 0.15 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3kz1 h THR 845 Cb 0.26 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3kz1 h THR 845 CO -0.32 0.21 -0.40 0.50 0.37 0.00 0.00 175.52 175.87 3kz1 h LYS 846 N 0.33 0.00 -0.25 6.66 3.64 0.48 -2.25 116.57 125.19 3kz1 h LYS 846 Ca 0.08 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 3kz1 h LYS 846 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3kz1 h LYS 846 CO 0.01 0.40 -0.46 1.96 -2.27 0.00 0.00 179.45 179.09 3kz1 h GLN 847 N 0.00 0.64 -0.08 1.90 4.20 -1.00 0.07 115.11 120.83 3kz1 h GLN 847 Ca -0.00 -0.36 -0.17 0.00 0.06 0.00 0.00 58.65 58.18 3kz1 h GLN 847 Cb 0.75 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3kz1 h GLN 847 CO 0.05 0.97 -0.67 0.00 -0.67 0.00 0.00 178.83 178.51 3kz1 h ARG 848 N 0.51 0.35 0.17 1.46 3.08 -1.44 -3.33 114.38 115.19 3kz1 h ARG 848 Ca 0.03 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3kz1 h ARG 848 Cb 1.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3kz1 h ARG 848 CO 0.09 0.89 -0.08 0.87 -1.07 0.00 0.00 179.97 180.67 3kz1 h LYS 849 N 0.25 -0.22 -5.32 0.04 1.57 -1.21 -3.44 116.57 108.23 3kz1 h LYS 849 Ca -0.02 0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 3kz1 h LYS 849 Cb 1.22 0.05 -0.20 0.00 0.08 0.00 0.00 32.23 33.38 3kz1 h LYS 849 CO 0.11 0.16 -0.65 -1.21 -0.57 0.00 0.00 179.45 177.29 3kz1 s GLU 850 N -4.30 3.70 0.15 3.15 2.02 -0.01 -4.98 118.70 118.43 3kz1 s GLU 850 Ca -0.14 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 3kz1 s GLU 850 Cb 0.02 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.32 3kz1 s GLU 850 CO 0.57 0.27 1.69 0.77 0.02 0.00 0.00 175.26 178.58 3kz1 h SER 851 N 6.63 0.68 0.17 -0.19 0.02 -1.86 -2.67 113.55 116.33 3kz1 h SER 851 Ca -0.33 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 3kz1 h SER 851 Cb 1.19 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3kz1 h SER 851 CO 0.64 0.68 -0.13 -0.09 -1.14 0.00 0.00 176.83 176.79 3kz1 h ARG 852 N 0.64 0.00 0.09 3.45 2.43 -1.94 -1.03 114.38 118.03 3kz1 h ARG 852 Ca 0.16 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.01 3kz1 h ARG 852 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3kz1 h ARG 852 CO -0.01 0.13 -1.74 0.35 -1.51 0.00 0.00 179.97 177.20 3kz1 h PHE 853 N 0.00 0.34 -0.20 2.20 3.57 -1.87 -3.16 116.94 117.83 3kz1 h PHE 853 Ca -0.00 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 3kz1 h PHE 853 Cb 0.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kz1 h PHE 853 CO 0.00 1.42 -0.19 0.37 -2.23 0.00 0.00 178.31 177.68 3kz1 h GLN 854 N 0.05 0.34 -0.48 1.11 5.75 -1.12 -1.70 115.11 119.07 3kz1 h GLN 854 Ca -0.32 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 57.97 3kz1 h GLN 854 Cb 2.02 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.52 3kz1 h GLN 854 CO 0.12 0.52 -0.13 1.25 -2.65 0.00 0.00 178.83 177.94 3kz1 h LEU 855 N 0.32 0.94 -0.57 -2.39 6.46 -1.29 -2.11 115.31 116.67 3kz1 h LEU 855 Ca 0.06 -0.37 -0.08 0.00 -0.12 0.00 0.00 57.88 57.37 3kz1 h LEU 855 Cb 0.51 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3kz1 h LEU 855 CO 0.03 1.10 0.04 0.15 -0.62 0.00 0.00 178.44 179.14 3kz1 h PHE 856 N 0.78 1.07 -0.49 1.25 3.04 -1.43 -1.10 116.94 120.06 3kz1 h PHE 856 Ca 0.12 -0.17 -0.10 0.00 3.98 0.00 0.00 57.97 61.79 3kz1 h PHE 856 Cb 0.69 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 3kz1 h PHE 856 CO 0.05 0.95 -0.09 0.52 -2.02 0.00 0.00 178.31 177.71 3kz1 h MET 857 N 0.88 0.94 -0.59 1.11 2.86 -1.25 0.13 114.93 119.00 3kz1 h MET 857 Ca 0.17 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 3kz1 h MET 857 Cb 0.49 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3kz1 h MET 857 CO 0.02 1.01 0.06 1.96 1.06 0.00 0.00 176.91 181.02 3kz1 h GLN 858 N 0.79 0.98 -0.48 1.72 4.20 -1.34 -1.12 115.11 119.86 3kz1 h GLN 858 Ca 0.13 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3kz1 h GLN 858 Cb 0.65 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3kz1 h GLN 858 CO 0.04 0.93 0.09 0.93 -0.67 0.00 0.00 178.83 180.16 3kz1 h GLU 859 N 0.92 0.79 -0.02 1.46 5.08 -0.78 -2.77 114.58 119.25 3kz1 h GLU 859 Ca 0.18 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 3kz1 h GLU 859 Cb 0.45 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kz1 h GLU 859 CO 0.02 0.78 -0.87 0.00 -1.00 0.00 0.00 179.01 177.95 3kz1 h ALA 860 N 0.97 0.46 0.00 3.43 0.00 -0.67 -2.94 119.26 120.52 3kz1 h ALA 860 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kz1 h ALA 860 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kz1 h ALA 860 CO 0.01 0.82 0.00 0.93 0.00 0.00 0.00 179.25 181.01 3kz1 h GLU 861 N 0.22 0.00 -0.00 0.00 5.08 -1.23 -2.62 114.58 116.03 3kz1 h GLU 861 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kz1 h GLU 861 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3kz1 h GLU 861 CO 0.15 0.00 -0.42 -1.13 -1.00 0.00 0.00 179.01 176.61 3kz1 n SER 862 N -2.94 0.46 -4.68 1.42 3.41 -1.05 -4.46 113.62 105.78 3kz1 n SER 862 Ca 0.03 -0.19 -0.44 0.00 -0.26 0.00 0.00 58.87 58.01 3kz1 n SER 862 Cb 0.44 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 3kz1 n SER 862 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kz1 n HIS 863 N -1.45 2.19 -0.35 7.33 -0.00 -0.99 -4.89 115.22 117.06 3kz1 n HIS 863 Ca 0.06 0.45 0.12 0.00 -0.00 0.00 0.00 57.72 58.36 3kz1 n HIS 863 Cb 0.34 -2.45 0.32 0.00 -0.00 0.00 0.00 29.99 28.19 3kz1 n HIS 863 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kz1 h PRO 864 N 3.90 0.76 -0.35 1.57 0.11 -1.90 -2.74 132.00 133.35 3kz1 h PRO 864 Ca -0.45 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kz1 h PRO 864 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3kz1 h PRO 864 CO 0.73 0.50 0.23 0.37 -0.21 0.00 0.00 178.00 179.63 3kz1 h GLN 865 N 0.78 0.43 0.00 1.05 5.75 -1.94 0.92 115.11 122.10 3kz1 h GLN 865 Ca 0.56 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 3kz1 h GLN 865 Cb 0.85 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.30 3kz1 h GLN 865 CO -0.35 0.29 0.00 0.00 -2.65 0.00 0.00 178.83 176.12 3kz1 n ARG 867 N -2.49 -1.79 -1.39 0.00 5.12 0.31 -1.33 116.66 115.09 3kz1 n ARG 867 Ca 0.02 0.31 -0.12 0.00 -1.93 0.00 0.00 57.85 56.13 3kz1 n ARG 867 Cb 0.29 -3.89 -0.05 0.00 -1.16 0.00 0.00 32.46 27.64 3kz1 n ARG 867 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kz1 n ARG 868 N -4.50 -0.87 -3.95 5.56 5.12 -1.26 -5.02 116.66 111.74 3kz1 n ARG 868 Ca -0.22 0.93 -0.36 0.00 -1.93 0.00 0.00 57.85 56.27 3kz1 n ARG 868 Cb 0.64 -4.96 -0.06 0.00 -1.16 0.00 0.00 32.46 26.91 3kz1 n ARG 868 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kz1 s LEU 869 N -2.87 4.27 0.91 0.55 1.43 -0.44 -5.10 118.68 117.43 3kz1 s LEU 869 Ca 0.00 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 3kz1 s LEU 869 Cb 0.00 -2.12 0.15 0.00 0.03 0.00 0.00 46.19 44.25 3kz1 s LEU 869 CO 0.00 0.38 1.26 -1.10 0.23 0.00 0.00 176.35 177.12 3kz1 s GLN 870 N -1.16 1.14 0.14 1.70 -0.21 -1.26 -4.79 119.66 115.22 3kz1 s GLN 870 Ca 0.17 -0.19 -0.14 0.00 0.02 0.00 0.00 55.36 55.22 3kz1 s GLN 870 Cb -0.12 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.03 3kz1 s GLN 870 CO 0.06 -2.11 1.66 1.25 -2.12 0.00 0.00 175.29 174.03 3kz1 h LEU 871 N -1.43 0.69 -1.69 2.90 6.46 -1.98 -2.92 115.31 117.35 3kz1 h LEU 871 Ca -0.45 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.10 3kz1 h LEU 871 Cb 1.27 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 3kz1 h LEU 871 CO 0.49 0.72 0.19 0.08 -0.62 0.00 0.00 178.44 179.31 3kz1 h ARG 872 N 0.63 0.40 -0.01 1.25 0.11 -2.00 -1.95 114.38 112.80 3kz1 h ARG 872 Ca 0.15 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 59.98 3kz1 h ARG 872 Cb 0.28 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.28 3kz1 h ARG 872 CO -0.00 0.27 -0.91 -0.44 0.10 0.00 0.00 179.97 178.99 3kz1 h ASP 873 N 0.41 0.53 1.07 0.08 5.19 -1.91 -3.20 116.42 118.59 3kz1 h ASP 873 Ca 0.11 -0.41 -0.10 0.00 -0.62 0.00 0.00 57.03 56.01 3kz1 h ASP 873 Cb -0.03 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 3kz1 h ASP 873 CO -0.02 1.20 -0.46 -0.07 -3.12 0.00 0.00 179.24 176.77 3kz1 h LEU 874 N 0.24 0.00 0.00 1.55 3.38 -1.20 -3.33 115.31 115.95 3kz1 h LEU 874 Ca -0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.62 3kz1 h LEU 874 Cb 1.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 3kz1 h LEU 874 CO 0.16 0.46 -1.84 0.00 0.09 0.00 0.00 178.44 177.31 3kz1 n ILE 875 N -3.42 1.43 0.48 1.22 3.06 -0.80 -3.06 119.36 118.28 3kz1 n ILE 875 Ca 0.01 -0.79 0.08 0.00 -2.50 0.00 0.00 62.75 59.55 3kz1 n ILE 875 Cb 0.62 -0.81 0.35 0.00 0.54 0.00 0.00 39.64 40.34 3kz1 n ILE 875 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kz1 n ILE 876 N -2.92 0.95 -0.14 9.51 0.00 -1.21 -3.70 119.36 121.85 3kz1 n ILE 876 Ca -0.19 0.24 0.14 0.00 0.00 0.00 0.00 62.75 62.93 3kz1 n ILE 876 Cb 1.03 -1.03 0.49 0.00 0.00 0.00 0.00 39.64 40.13 3kz1 n ILE 876 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kz1 h SER 877 N 0.00 0.41 -0.91 9.51 4.64 -1.64 -2.31 113.55 123.24 3kz1 h SER 877 Ca 0.00 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3kz1 h SER 877 Cb 0.28 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3kz1 h SER 877 CO 0.00 0.22 0.61 -0.08 -0.87 0.00 0.00 176.83 176.71 3kz1 h GLU 878 N 0.44 1.20 -0.17 4.77 4.57 -1.82 0.34 114.58 123.91 3kz1 h GLU 878 Ca 0.34 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 3kz1 h GLU 878 Cb 0.72 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3kz1 h GLU 878 CO -0.11 0.79 -0.07 0.52 -1.18 0.00 0.00 179.01 178.96 3kz1 h MET 879 N 1.23 0.34 -0.97 1.92 2.86 -1.72 -0.86 114.93 117.74 3kz1 h MET 879 Ca 0.34 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.95 3kz1 h MET 879 Cb -0.13 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.43 3kz1 h MET 879 CO -0.08 0.64 0.59 1.96 1.06 0.00 0.00 176.91 181.09 3kz1 h GLN 880 N 0.03 0.91 -0.21 1.72 4.20 -1.14 0.15 115.11 120.76 3kz1 h GLN 880 Ca 0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3kz1 h GLN 880 Cb 0.53 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3kz1 h GLN 880 CO 0.02 0.60 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.48 3kz1 h ARG 881 N 0.94 0.52 0.00 1.46 9.65 -0.77 -1.79 114.38 124.39 3kz1 h ARG 881 Ca 0.48 -0.27 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3kz1 h ARG 881 Cb 0.49 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3kz1 h ARG 881 CO -0.27 0.86 -0.20 -0.07 2.80 0.00 0.00 179.97 183.09 3kz1 h LEU 882 N 0.20 0.00 0.00 3.80 4.07 -0.42 -2.23 115.31 120.73 3kz1 h LEU 882 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3kz1 h LEU 882 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 3kz1 h LEU 882 CO 0.05 0.20 -0.20 0.00 -1.08 0.00 0.00 178.44 177.41 3kz1 h THR 883 N 0.00 0.00 0.00 0.22 1.03 -0.59 -3.33 112.91 110.25 3kz1 h THR 883 Ca -0.00 -0.69 -0.24 0.00 -0.01 0.00 0.00 66.41 65.47 3kz1 h THR 883 Cb 0.73 1.57 -0.04 0.00 -1.07 0.00 0.00 68.15 69.34 3kz1 h THR 883 CO 0.03 0.00 -1.75 1.17 -0.01 0.00 0.00 175.52 174.96 3kz1 n LYS 884 N -2.53 0.64 -0.07 0.00 3.00 -0.69 -4.44 118.16 114.07 3kz1 n LYS 884 Ca 0.04 0.17 -0.07 0.00 -0.00 0.00 0.00 58.31 58.45 3kz1 n LYS 884 Cb 0.47 -1.72 -0.01 0.00 0.00 0.00 0.00 35.03 33.77 3kz1 n LYS 884 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 3kz1 h TYR 885 N 0.00 -0.36 -0.70 5.64 0.05 -1.54 -1.40 116.97 118.66 3kz1 h TYR 885 Ca -0.27 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.60 3kz1 h TYR 885 Cb 1.81 0.20 -0.05 0.00 1.01 0.00 0.00 36.73 39.70 3kz1 h TYR 885 CO 0.00 -0.22 0.40 -1.35 -1.05 0.00 0.00 178.16 175.94 3kz1 h PRO 886 N -0.11 0.72 -0.22 4.88 0.11 -1.79 -0.79 132.00 134.80 3kz1 h PRO 886 Ca 0.15 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3kz1 h PRO 886 Cb 0.34 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3kz1 h PRO 886 CO -0.35 0.48 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.73 3kz1 h LEU 887 N 0.74 0.34 -0.30 2.35 4.07 -1.67 -1.74 115.31 119.10 3kz1 h LEU 887 Ca 0.31 -0.08 -0.19 0.00 0.08 0.00 0.00 57.88 58.00 3kz1 h LEU 887 Cb 0.16 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.82 3kz1 h LEU 887 CO -0.17 0.49 -0.64 -0.07 -1.08 0.00 0.00 178.44 176.98 3kz1 h LEU 888 N 0.33 0.87 -0.51 1.67 4.07 -0.40 -2.81 115.31 118.53 3kz1 h LEU 888 Ca 0.07 -0.51 -0.05 0.00 0.08 0.00 0.00 57.88 57.47 3kz1 h LEU 888 Cb 0.42 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 3kz1 h LEU 888 CO 0.02 1.29 0.11 -0.07 -1.08 0.00 0.00 178.44 178.72 3kz1 h LEU 889 N 0.56 0.79 -0.93 1.67 3.38 -1.07 -3.04 115.31 116.67 3kz1 h LEU 889 Ca -0.01 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 57.84 3kz1 h LEU 889 Cb 1.24 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 3kz1 h LEU 889 CO 0.13 0.82 0.56 -0.08 0.09 0.00 0.00 178.44 179.96 3kz1 h GLU 890 N 0.72 0.83 -0.14 1.13 4.57 -1.16 0.11 114.58 120.65 3kz1 h GLU 890 Ca 0.16 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 3kz1 h GLU 890 Cb 0.35 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3kz1 h GLU 890 CO 0.00 0.55 -0.55 0.77 -1.18 0.00 0.00 179.01 178.61 3kz1 h SER 891 N 0.86 0.44 -0.28 1.04 0.02 -1.48 -0.45 113.55 113.71 3kz1 h SER 891 Ca 0.47 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3kz1 h SER 891 Cb 0.52 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3kz1 h SER 891 CO -0.29 0.90 0.10 0.40 -1.14 0.00 0.00 176.83 176.80 3kz1 h ILE 892 N 0.31 1.19 -0.61 3.27 2.04 -0.75 -2.78 117.51 120.18 3kz1 h ILE 892 Ca 0.01 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3kz1 h ILE 892 Cb 1.06 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3kz1 h ILE 892 CO 0.09 0.20 0.41 0.40 0.00 0.00 0.00 178.15 179.25 3kz1 h ILE 893 N 0.30 1.12 -0.75 -0.67 2.04 -0.89 -1.82 117.51 116.84 3kz1 h ILE 893 Ca 0.09 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.77 3kz1 h ILE 893 Cb 0.22 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3kz1 h ILE 893 CO -0.00 0.14 0.49 0.50 0.00 0.00 0.00 178.15 179.28 3kz1 h LYS 894 N 0.79 0.65 -0.52 2.37 1.63 -0.81 -2.74 116.57 117.94 3kz1 h LYS 894 Ca 0.23 -0.04 -0.33 0.00 -0.85 0.00 0.00 60.65 59.66 3kz1 h LYS 894 Cb -0.02 -0.15 -0.21 0.00 -0.60 0.00 0.00 32.23 31.25 3kz1 h LYS 894 CO -0.06 0.43 -0.18 0.72 -3.45 0.00 0.00 179.45 176.92 3kz1 n HIS 895 N -4.49 1.75 -4.74 1.91 8.25 -0.72 -4.97 115.22 112.20 3kz1 n HIS 895 Ca 0.12 -1.95 -0.31 0.00 -0.26 0.00 0.00 57.72 55.32 3kz1 n HIS 895 Cb 0.32 -0.57 -0.13 0.00 1.12 0.00 0.00 29.99 30.73 3kz1 n HIS 895 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kz1 s THR 896 N -3.81 2.77 -0.10 1.59 2.01 -0.97 -4.66 115.64 112.47 3kz1 s THR 896 Ca 0.49 -1.12 -0.35 0.00 0.31 0.00 0.00 61.69 61.02 3kz1 s THR 896 Cb 0.42 -2.14 -0.13 0.00 0.01 0.00 0.00 72.50 70.66 3kz1 s THR 896 CO 0.00 0.39 1.83 -0.62 -0.69 0.00 0.00 174.62 175.53 3kz1 n GLU 897 N 1.72 1.99 -2.81 4.92 -0.58 -1.26 -4.92 120.64 119.70 3kz1 n GLU 897 Ca -0.16 0.73 -0.41 0.00 -0.42 0.00 0.00 57.16 56.89 3kz1 n GLU 897 Cb 0.52 -2.54 -0.03 0.00 -0.57 0.00 0.00 31.44 28.82 3kz1 n GLU 897 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kz1 s GLY 898 N 3.67 2.69 0.00 0.62 0.00 -1.26 -3.66 107.32 109.38 3kz1 s GLY 898 Ca 0.92 0.37 0.00 0.00 0.00 0.00 0.00 44.72 46.02 3kz1 s GLY 898 CO 0.53 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.83 3kz1 n GLY 899 N 3.03 0.87 3.96 0.20 0.00 -1.26 -5.09 105.19 106.90 3kz1 n GLY 899 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3kz1 n GLY 899 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kz1 s THR 900 N -2.04 2.76 0.11 2.61 -4.23 -1.24 -4.99 115.64 108.61 3kz1 s THR 900 Ca 0.00 -0.57 -0.18 0.00 -1.18 0.00 0.00 61.69 59.76 3kz1 s THR 900 Cb 0.00 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 3kz1 s THR 900 CO 0.00 -0.04 1.62 -1.28 -0.54 0.00 0.00 174.62 174.38 3kz1 h SER 901 N -0.00 0.45 -0.27 3.99 0.87 -1.99 -2.46 113.55 114.13 3kz1 h SER 901 Ca -0.43 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 59.96 3kz1 h SER 901 Cb 1.29 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 3kz1 h SER 901 CO 0.54 0.55 -0.55 -0.08 -0.53 0.00 0.00 176.83 176.76 3kz1 h GLU 902 N 0.34 -0.47 -0.17 2.24 4.57 -1.95 -2.35 114.58 116.78 3kz1 h GLU 902 Ca 0.10 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 3kz1 h GLU 902 Cb 0.26 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 3kz1 h GLU 902 CO -0.00 -0.31 -0.39 1.25 -1.18 0.00 0.00 179.01 178.37 3kz1 h HIS 903 N -0.49 -1.11 -0.77 0.92 2.76 -1.71 -1.37 115.15 113.38 3kz1 h HIS 903 Ca 0.06 0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 3kz1 h HIS 903 Cb 0.64 0.51 -0.05 0.00 1.55 0.00 0.00 27.41 30.06 3kz1 h HIS 903 CO -0.65 -0.45 0.51 1.49 -1.30 0.00 0.00 177.93 177.52 3kz1 h GLU 904 N -0.44 0.62 -0.12 5.26 4.81 -1.34 -2.63 114.58 120.74 3kz1 h GLU 904 Ca 0.09 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 3kz1 h GLU 904 Cb 0.60 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3kz1 h GLU 904 CO -0.41 0.41 -0.71 0.87 -0.73 0.00 0.00 179.01 178.44 3kz1 h LYS 905 N 0.64 0.55 -0.63 1.92 1.57 -0.71 -1.79 116.57 118.12 3kz1 h LYS 905 Ca 0.36 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3kz1 h LYS 905 Cb 0.54 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3kz1 h LYS 905 CO -0.14 1.05 0.15 -0.07 -0.57 0.00 0.00 179.45 179.88 3kz1 h LEU 906 N 0.38 0.97 -1.21 2.94 3.38 -1.18 0.57 115.31 121.16 3kz1 h LEU 906 Ca -0.03 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.79 3kz1 h LEU 906 Cb 1.30 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 3kz1 h LEU 906 CO 0.13 0.95 0.56 0.00 0.09 0.00 0.00 178.44 180.18 3kz1 h ARG 908 N 0.90 0.45 -0.39 0.00 2.43 -0.68 -0.49 114.38 116.60 3kz1 h ARG 908 Ca 0.39 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kz1 h ARG 908 Cb 0.33 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3kz1 h ARG 908 CO -0.16 0.91 0.21 0.00 -1.51 0.00 0.00 179.97 179.43 3kz1 h ALA 909 N 0.54 0.49 -0.22 2.80 0.00 -0.17 -2.85 119.26 119.86 3kz1 h ALA 909 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kz1 h ALA 909 Cb 0.91 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3kz1 h ALA 909 CO 0.07 -0.13 0.07 -0.09 0.00 0.00 0.00 179.25 179.16 3kz1 h ARG 910 N 0.44 0.16 -0.60 0.00 2.43 0.13 -2.39 114.38 114.55 3kz1 h ARG 910 Ca 0.16 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.42 3kz1 h ARG 910 Cb 0.04 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 3kz1 h ARG 910 CO -0.09 0.10 0.17 -0.44 -1.51 0.00 0.00 179.97 178.21 3kz1 h ASP 911 N 0.16 0.11 -0.37 -3.80 3.32 -0.93 -2.15 116.42 112.75 3kz1 h ASP 911 Ca 0.09 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3kz1 h ASP 911 Cb 0.07 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3kz1 h ASP 911 CO -0.10 0.07 0.06 1.56 -1.72 0.00 0.00 179.24 179.10 3kz1 h GLN 912 N 0.32 0.71 -0.85 3.56 1.08 -1.27 -2.41 115.11 116.25 3kz1 h GLN 912 Ca 0.31 -0.16 0.11 0.00 -1.45 0.00 0.00 58.65 57.47 3kz1 h GLN 912 Cb 0.42 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 3kz1 h GLN 912 CO -0.35 0.68 0.48 0.00 -0.95 0.00 0.00 178.83 178.69 3kz1 h ARG 914 N 0.76 0.22 -0.57 0.00 3.08 -1.27 -0.08 114.38 116.52 3kz1 h ARG 914 Ca 0.43 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 3kz1 h ARG 914 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3kz1 h ARG 914 CO -0.29 0.67 0.17 0.93 -1.07 0.00 0.00 179.97 180.39 3kz1 h GLU 915 N 0.18 0.89 -0.33 0.04 4.39 -0.87 -0.52 114.58 118.35 3kz1 h GLU 915 Ca 0.01 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 3kz1 h GLU 915 Cb 0.94 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3kz1 h GLU 915 CO 0.08 0.80 -0.29 0.82 -1.16 0.00 0.00 179.01 179.26 3kz1 h ILE 916 N 0.80 1.29 0.00 3.13 2.04 -0.81 0.27 117.51 124.23 3kz1 h ILE 916 Ca 0.18 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.62 3kz1 h ILE 916 Cb 0.29 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3kz1 h ILE 916 CO -0.01 0.47 -0.23 0.25 0.00 0.00 0.00 178.15 178.64 3kz1 h LEU 917 N 0.55 -0.67 -0.60 1.44 6.46 -0.81 -0.17 115.31 121.52 3kz1 h LEU 917 Ca 0.06 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 3kz1 h LEU 917 Cb 0.86 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 3kz1 h LEU 917 CO 0.07 -0.30 0.37 0.11 -0.62 0.00 0.00 178.44 178.08 3kz1 h LYS 918 N -0.36 0.73 -0.47 1.25 1.57 -0.84 -0.70 116.57 117.75 3kz1 h LYS 918 Ca 0.06 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3kz1 h LYS 918 Cb 0.44 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3kz1 h LYS 918 CO -0.20 0.48 0.24 -0.92 -0.57 0.00 0.00 179.45 178.47 3kz1 h TYR 919 N 0.75 0.43 0.01 -1.35 5.03 -0.45 0.13 116.97 121.52 3kz1 h TYR 919 Ca 0.23 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.56 3kz1 h TYR 919 Cb -0.01 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.14 3kz1 h TYR 919 CO -0.05 0.21 -0.00 0.28 -1.32 0.00 0.00 178.16 177.28 3kz1 h VAL 920 N 0.47 1.47 -0.94 1.81 2.07 -0.66 -2.16 116.25 118.31 3kz1 h VAL 920 Ca 0.21 -1.49 0.23 0.00 0.82 0.00 0.00 66.70 66.47 3kz1 h VAL 920 Cb 0.12 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 3kz1 h VAL 920 CO -0.15 0.38 0.63 0.78 0.02 0.00 0.00 177.57 179.23 3kz1 h ASN 921 N -0.66 0.37 -0.05 0.57 2.35 -1.10 -1.17 115.58 115.89 3kz1 h ASN 921 Ca -0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3kz1 h ASN 921 Cb 0.64 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3kz1 h ASN 921 CO 0.00 0.13 0.00 -0.08 -1.65 0.00 0.00 177.43 175.83 3kz1 h GLU 922 N 0.35 0.09 -0.80 0.81 4.57 -0.46 0.60 114.58 119.73 3kz1 h GLU 922 Ca 0.50 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.63 3kz1 h GLU 922 Cb 1.33 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 3kz1 h GLU 922 CO -0.18 0.34 0.40 0.00 -1.18 0.00 0.00 179.01 178.39 3kz1 h ALA 923 N 0.74 1.20 -0.12 2.92 0.00 -0.78 0.88 119.26 124.10 3kz1 h ALA 923 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kz1 h ALA 923 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kz1 h ALA 923 CO 0.00 0.62 0.08 0.28 0.00 0.00 0.00 179.25 180.23 3kz1 h VAL 924 N 1.13 1.04 -0.97 0.00 2.07 -1.05 -1.46 116.25 117.01 3kz1 h VAL 924 Ca 0.28 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.84 3kz1 h VAL 924 Cb 0.08 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3kz1 h VAL 924 CO -0.04 0.04 0.61 0.50 0.02 0.00 0.00 177.57 178.70 3kz1 h LYS 925 N 0.15 0.83 -0.02 1.57 1.63 -0.31 -0.62 116.57 119.79 3kz1 h LYS 925 Ca 0.04 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.60 3kz1 h LYS 925 Cb 0.00 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3kz1 h LYS 925 CO -0.01 0.55 -0.74 1.96 -3.45 0.00 0.00 179.45 177.76 3kz1 h GLN 926 N 0.85 0.53 -0.34 1.90 4.20 -0.36 -2.13 115.11 119.76 3kz1 h GLN 926 Ca 0.49 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3kz1 h GLN 926 Cb 0.64 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3kz1 h GLN 926 CO -0.26 1.18 0.07 1.15 -0.67 0.00 0.00 178.83 180.30 3kz1 h THR 927 N 0.11 1.23 -0.68 -0.54 2.02 -1.17 -1.03 112.91 112.84 3kz1 h THR 927 Ca -0.09 -0.78 0.04 0.00 0.77 0.00 0.00 66.41 66.36 3kz1 h THR 927 Cb 1.42 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 3kz1 h THR 927 CO 0.15 0.26 0.45 -0.33 0.37 0.00 0.00 175.52 176.42 3kz1 h GLU 928 N 0.40 0.77 -0.16 6.66 5.08 -1.15 -1.55 114.58 124.62 3kz1 h GLU 928 Ca 0.11 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3kz1 h GLU 928 Cb 0.32 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kz1 h GLU 928 CO 0.00 0.51 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.53 3kz1 h ASN 929 N 0.79 0.34 -0.89 1.42 2.35 -0.77 -0.78 115.58 118.05 3kz1 h ASN 929 Ca 0.28 -0.41 0.14 0.00 -0.55 0.00 0.00 56.30 55.75 3kz1 h ASN 929 Cb 0.11 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 3kz1 h ASN 929 CO -0.08 0.68 0.57 0.03 -1.65 0.00 0.00 177.43 176.98 3kz1 h ARG 930 N 0.01 0.69 -0.03 0.81 3.08 -0.76 -0.02 114.38 118.15 3kz1 h ARG 930 Ca 0.04 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 3kz1 h ARG 930 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kz1 h ARG 930 CO 0.02 0.46 -0.87 1.25 -1.07 0.00 0.00 179.97 179.76 3kz1 h HIS 931 N 0.71 0.60 -0.25 3.04 2.76 -1.14 -2.42 115.15 118.45 3kz1 h HIS 931 Ca 0.44 -0.31 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 3kz1 h HIS 931 Cb 0.68 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3kz1 h HIS 931 CO -0.00 1.11 -0.16 0.00 -1.30 0.00 0.00 177.93 177.58 3kz1 h ARG 932 N 0.26 0.43 -0.12 5.26 3.08 0.47 -2.80 114.38 120.95 3kz1 h ARG 932 Ca -0.06 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3kz1 h ARG 932 Cb 1.48 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 3kz1 h ARG 932 CO 0.15 0.58 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.39 3kz1 h LEU 933 N 0.40 0.36 -0.79 3.04 3.38 -1.08 -0.30 115.31 120.32 3kz1 h LEU 933 Ca 0.07 -0.52 0.19 0.00 0.09 0.00 0.00 57.88 57.70 3kz1 h LEU 933 Cb 0.51 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.02 3kz1 h LEU 933 CO 0.03 0.82 0.04 -0.33 0.09 0.00 0.00 178.44 179.09 3kz1 h GLU 934 N -0.08 0.11 -0.50 1.13 5.08 -1.42 0.12 114.58 119.02 3kz1 h GLU 934 Ca 0.01 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3kz1 h GLU 934 Cb 0.74 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3kz1 h GLU 934 CO 0.04 0.07 0.10 0.78 -1.00 0.00 0.00 179.01 179.01 3kz1 h GLY 935 N 0.11 0.88 1.83 -3.84 0.00 -1.19 -2.91 103.07 97.96 3kz1 h GLY 935 Ca 0.45 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3kz1 h GLY 935 CO -0.68 0.53 -0.41 -0.97 0.00 0.00 0.00 176.54 175.01 3kz1 h TYR 936 N 0.70 0.23 -0.67 5.60 0.05 0.73 -3.01 116.97 120.59 3kz1 h TYR 936 Ca 0.16 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 3kz1 h TYR 936 Cb 0.36 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3kz1 h TYR 936 CO 0.03 0.58 0.26 0.37 -1.05 0.00 0.00 178.16 178.35 3kz1 h GLN 937 N 0.16 1.01 -0.19 4.88 5.75 -0.65 -2.08 115.11 123.99 3kz1 h GLN 937 Ca 0.01 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3kz1 h GLN 937 Cb 0.80 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3kz1 h GLN 937 CO 0.06 0.84 0.13 0.87 -2.65 0.00 0.00 178.83 178.08 3kz1 h LYS 938 N 0.95 0.18 -0.36 1.69 1.57 -1.43 -2.89 116.57 116.27 3kz1 h LYS 938 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3kz1 h LYS 938 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3kz1 h LYS 938 CO -0.02 0.12 0.00 0.54 -0.57 0.00 0.00 179.45 179.52 3kz1 n ARG 939 N -4.51 2.32 -2.75 3.15 1.74 -0.90 -4.95 116.66 110.77 3kz1 n ARG 939 Ca 0.00 -2.00 -0.42 0.00 -0.77 0.00 0.00 57.85 54.67 3kz1 n ARG 939 Cb 0.13 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3kz1 n ARG 939 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kz1 s LEU 940 N -1.46 4.26 -0.35 0.55 2.96 -0.83 0.16 118.68 123.98 3kz1 s LEU 940 Ca 0.37 1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 3kz1 s LEU 940 Cb 0.21 -3.47 0.08 0.00 0.50 0.00 0.00 46.19 43.51 3kz1 s LEU 940 CO 0.30 -0.38 0.08 -0.62 -1.32 0.00 0.00 176.35 174.41 3kz1 s ASP 941 N 1.07 4.98 -0.29 3.68 3.68 -0.45 -4.93 116.67 124.41 3kz1 s ASP 941 Ca 0.47 -1.74 0.10 0.00 2.13 0.00 0.00 52.55 53.50 3kz1 s ASP 941 Cb -0.18 -1.73 0.54 0.00 -1.45 0.00 0.00 42.92 40.10 3kz1 s ASP 941 CO 0.19 -0.39 1.52 0.00 0.13 0.00 0.00 175.17 176.62 3kz1 n ALA 942 N 4.53 4.18 -0.24 3.66 0.00 -1.26 -1.28 120.51 130.10 3kz1 n ALA 942 Ca -0.06 -2.90 -0.06 0.00 0.00 0.00 0.00 53.44 50.42 3kz1 n ALA 942 Cb 0.42 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 19.11 3kz1 n ALA 942 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kz1 h THR 943 N 1.24 1.26 0.00 0.00 2.02 -1.86 -2.38 112.91 113.18 3kz1 h THR 943 Ca 0.22 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3kz1 h THR 943 Cb 1.78 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3kz1 h THR 943 CO 0.45 0.37 -0.03 0.00 0.37 0.00 0.00 175.52 176.67 3kz1 h ALA 944 N 1.13 1.02 0.00 6.16 0.00 -1.85 -2.35 119.26 123.37 3kz1 h ALA 944 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kz1 h ALA 944 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kz1 h ALA 944 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3kz1 n LEU 945 N -3.16 0.00 0.11 0.00 4.32 -0.90 -2.62 117.00 114.75 3kz1 n LEU 945 Ca -0.00 0.43 -0.00 0.00 -0.02 0.00 0.00 56.01 56.42 3kz1 n LEU 945 Cb 0.28 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 3kz1 n LEU 945 CO 0.27 -0.13 0.29 -0.33 -1.22 0.00 0.00 177.39 176.27 3kz1 h GLU 946 N 0.00 0.00 0.00 3.23 5.08 -1.56 -3.13 114.58 118.20 3kz1 h GLU 946 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kz1 h GLU 946 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kz1 h GLU 946 CO 0.00 0.61 0.00 0.54 -1.00 0.00 0.00 179.01 179.16 3kz1 n ARG 947 N -3.22 0.23 0.00 2.33 5.12 -1.08 -4.97 116.66 115.07 3kz1 n ARG 947 Ca -0.00 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3kz1 n ARG 947 Cb 0.80 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 3kz1 n ARG 947 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kz1 n ALA 948 N -1.38 0.00 0.00 7.54 0.00 -1.18 -4.91 120.51 120.58 3kz1 n ALA 948 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kz1 n ALA 948 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3kz1 n ALA 948 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kz1 n SER 949 N 3.99 0.00 -4.60 0.00 3.41 -1.26 -4.92 113.62 110.24 3kz1 n SER 949 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3kz1 n SER 949 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3kz1 n SER 949 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kz1 s ASN 950 N 0.00 6.69 0.49 4.04 3.04 -1.26 -4.93 114.94 123.00 3kz1 s ASN 950 Ca 0.00 0.58 0.21 0.00 0.04 0.00 0.00 52.86 53.69 3kz1 s ASN 950 Cb 0.00 -2.48 1.25 0.00 -1.54 0.00 0.00 41.25 38.48 3kz1 s ASN 950 CO 0.00 -0.93 2.04 -0.65 -3.04 0.00 0.00 177.10 174.53 3kz1 h PRO 951 N 8.58 0.00 0.01 0.43 0.11 -1.91 -1.72 132.00 137.50 3kz1 h PRO 951 Ca -0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kz1 h PRO 951 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kz1 h PRO 951 CO 1.01 0.15 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.87 3kz1 h LEU 952 N 0.00 -0.01 -0.96 2.35 -0.00 -1.93 -3.26 115.31 111.51 3kz1 h LEU 952 Ca -0.00 -0.83 0.19 0.00 -0.00 0.00 0.00 57.88 57.24 3kz1 h LEU 952 Cb 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.86 3kz1 h LEU 952 CO 0.02 0.86 0.54 0.00 -0.00 0.00 0.00 178.44 179.86 3kz1 h ALA 953 N 0.02 1.58 0.00 1.53 0.00 -1.82 -2.43 119.26 118.15 3kz1 h ALA 953 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kz1 h ALA 953 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kz1 h ALA 953 CO 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 179.25 179.16 3kz1 h ALA 954 N 1.65 1.03 0.00 0.00 0.00 -1.35 -0.26 119.26 120.33 3kz1 h ALA 954 Ca 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 3kz1 h ALA 954 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3kz1 h ALA 954 CO -0.41 -0.03 -0.27 0.93 0.00 0.00 0.00 179.25 179.46 3kz1 h GLU 955 N 0.00 0.00 -0.72 0.00 5.08 -1.52 -3.30 114.58 114.11 3kz1 h GLU 955 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3kz1 h GLU 955 Cb 0.08 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.04 3kz1 h GLU 955 CO 0.00 0.27 -0.03 1.19 -1.00 0.00 0.00 179.01 179.44 3kz1 n PHE 956 N -3.41 2.43 0.16 4.33 3.72 -0.11 -4.59 117.46 119.99 3kz1 n PHE 956 Ca 0.00 -2.27 0.02 0.00 -0.05 0.00 0.00 57.45 55.15 3kz1 n PHE 956 Cb 0.47 -0.75 0.34 0.00 -0.94 0.00 0.00 39.48 38.60 3kz1 n PHE 956 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kz1 h LYS 957 N 1.73 0.08 -2.14 -1.08 2.10 -1.70 -3.25 116.57 112.30 3kz1 h LYS 957 Ca 0.41 -0.03 -0.55 0.00 -2.00 0.00 0.00 60.65 58.49 3kz1 h LYS 957 Cb 1.43 -0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.34 3kz1 h LYS 957 CO 0.92 0.41 -0.89 -1.13 -2.00 0.00 0.00 179.45 176.75 3kz1 n SER 958 N -4.12 2.53 0.00 7.07 3.41 -1.26 -4.77 113.62 116.49 3kz1 n SER 958 Ca -0.02 -3.28 -0.01 0.00 -0.26 0.00 0.00 58.87 55.29 3kz1 n SER 958 Cb 0.39 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 3kz1 n SER 958 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kz1 h LEU 959 N 3.29 -0.15 -2.56 1.04 6.46 -1.89 -3.49 115.31 118.00 3kz1 h LEU 959 Ca 0.12 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3kz1 h LEU 959 Cb 0.74 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3kz1 h LEU 959 CO 0.66 -0.05 -0.45 -0.67 -0.62 0.00 0.00 178.44 177.31 3kz1 n ASP 960 N -2.78 -5.22 0.23 1.25 2.03 -1.26 -4.96 116.55 105.84 3kz1 n ASP 960 Ca -0.01 0.62 0.07 0.00 0.52 0.00 0.00 54.79 56.00 3kz1 n ASP 960 Cb 0.04 -3.34 0.55 0.00 -0.72 0.00 0.00 41.12 37.65 3kz1 n ASP 960 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3kz1 h LEU 961 N 1.46 0.00 -2.00 -2.67 3.38 -1.95 -3.22 115.31 110.31 3kz1 h LEU 961 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3kz1 h LEU 961 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kz1 h LEU 961 CO 0.07 0.19 0.47 0.74 0.09 0.00 0.00 178.44 180.00 3kz1 h THR 962 N 0.00 0.56 0.00 0.22 2.02 -1.93 -2.10 112.91 111.68 3kz1 h THR 962 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kz1 h THR 962 Cb 0.37 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3kz1 h THR 962 CO 0.02 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.26 3kz1 n THR 963 N -4.12 0.18 -4.36 3.16 -2.24 -1.22 -4.83 114.28 100.85 3kz1 n THR 963 Ca 0.11 0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 3kz1 n THR 963 Cb 0.70 -0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 3kz1 n THR 963 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kz1 s ARG 964 N -2.57 1.36 -0.01 -0.78 3.00 -0.79 -5.14 118.95 114.02 3kz1 s ARG 964 Ca 0.24 -1.52 -0.15 0.00 0.00 0.00 0.00 55.73 54.30 3kz1 s ARG 964 Cb 0.17 -1.35 -0.06 0.00 0.00 0.00 0.00 34.95 33.71 3kz1 s ARG 964 CO 0.39 0.26 0.41 0.15 0.00 0.00 0.00 175.30 176.51 3kz1 s LYS 965 N -3.17 3.98 0.04 3.54 1.02 -1.26 -4.99 119.74 118.90 3kz1 s LYS 965 Ca 0.20 0.41 -0.29 0.00 0.02 0.00 0.00 55.97 56.32 3kz1 s LYS 965 Cb -0.04 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3kz1 s LYS 965 CO 0.08 0.62 0.93 1.41 -0.92 0.00 0.00 175.35 177.47 3kz1 s MET 966 N -0.86 4.59 -0.24 1.68 -2.45 -1.26 -2.37 119.30 118.39 3kz1 s MET 966 Ca 0.24 1.34 -0.10 0.00 -1.25 0.00 0.00 55.69 55.92 3kz1 s MET 966 Cb -0.16 -3.42 -0.17 0.00 1.25 0.00 0.00 34.83 32.33 3kz1 s MET 966 CO 0.13 0.09 -0.11 -0.89 1.05 0.00 0.00 175.02 175.29 3kz1 n ILE 967 N 3.39 1.56 -3.72 10.11 5.41 0.69 -4.98 119.36 131.81 3kz1 n ILE 967 Ca 0.03 -0.40 -0.09 0.00 1.00 0.00 0.00 62.75 63.28 3kz1 n ILE 967 Cb 0.50 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 3kz1 n ILE 967 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3kz1 s HIS 968 N -2.49 -0.22 0.10 1.39 5.04 -1.08 -5.00 115.29 113.03 3kz1 s HIS 968 Ca -0.34 -0.14 -0.25 0.00 -1.54 0.00 0.00 55.06 52.80 3kz1 s HIS 968 Cb 0.10 0.53 0.08 0.00 0.04 0.00 0.00 32.58 33.33 3kz1 s HIS 968 CO 0.58 -1.02 0.67 -1.83 -2.34 0.00 0.00 174.74 170.81 3kz1 s GLU 969 N -3.87 1.16 0.00 2.88 -1.05 -1.26 -0.96 118.70 115.60 3kz1 s GLU 969 Ca 0.09 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 3kz1 s GLU 969 Cb -0.03 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3kz1 s GLU 969 CO -0.01 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.12 3kz1 n GLY 970 N -0.20 0.93 3.71 -3.83 0.00 -0.88 -4.99 105.19 99.93 3kz1 n GLY 970 Ca -0.15 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 3kz1 n GLY 970 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kz1 s PRO 971 N -1.98 4.46 -0.03 1.61 0.04 -1.26 -1.12 135.00 136.73 3kz1 s PRO 971 Ca 0.00 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.18 3kz1 s PRO 971 Cb 0.00 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 3kz1 s PRO 971 CO 0.00 -0.04 -0.11 -0.51 0.04 0.00 0.00 177.00 176.38 3kz1 s LEU 972 N 1.09 1.87 -0.03 -3.56 1.02 -1.12 -4.65 118.68 113.29 3kz1 s LEU 972 Ca 0.43 -0.23 -0.23 0.00 0.02 0.00 0.00 54.13 54.12 3kz1 s LEU 972 Cb -0.19 -0.66 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 3kz1 s LEU 972 CO 0.21 0.10 0.69 -0.89 0.02 0.00 0.00 176.35 176.48 3kz1 s THR 973 N 0.05 4.95 -0.30 5.49 2.01 -0.85 -1.34 115.64 125.65 3kz1 s THR 973 Ca -0.01 1.44 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 3kz1 s THR 973 Cb -0.08 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 3kz1 s THR 973 CO 0.01 0.31 0.16 0.86 -0.69 0.00 0.00 174.62 175.26 3kz1 s TRP 974 N 0.41 3.18 -1.26 4.92 -0.00 0.48 0.02 118.94 126.70 3kz1 s TRP 974 Ca 0.36 -0.43 -0.15 0.00 -0.00 0.00 0.00 56.10 55.88 3kz1 s TRP 974 Cb -0.18 -2.36 0.13 0.00 -0.00 0.00 0.00 33.47 31.06 3kz1 s TRP 974 CO 0.19 -0.40 1.59 -2.13 -0.00 0.00 0.00 176.95 176.20 3kz1 n ARG 975 N 5.00 3.30 0.17 5.86 3.00 -0.07 -1.78 116.66 132.14 3kz1 n ARG 975 Ca -0.14 -3.58 0.03 0.00 -0.00 0.00 0.00 57.85 54.16 3kz1 n ARG 975 Cb 0.50 -3.23 0.30 0.00 0.00 0.00 0.00 32.46 30.04 3kz1 n ARG 975 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3kz1 h ILE 976 N 4.96 1.10 -2.45 5.15 2.10 -1.76 -3.40 117.51 123.22 3kz1 h ILE 976 Ca 0.38 -1.63 -0.02 0.00 1.08 0.00 0.00 64.86 64.67 3kz1 h ILE 976 Cb 0.86 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 3kz1 h ILE 976 CO 1.36 0.43 0.11 -0.24 -1.08 0.00 0.00 178.15 178.73 3kz1 n SER 977 N -3.71 -0.98 -4.68 2.19 2.88 -1.12 -5.00 113.62 103.21 3kz1 n SER 977 Ca -0.01 -1.69 -0.42 0.00 -1.33 0.00 0.00 58.87 55.41 3kz1 n SER 977 Cb 0.52 1.63 -0.03 0.00 -0.75 0.00 0.00 64.21 65.58 3kz1 n SER 977 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kz1 s LYS 978 N -2.05 4.31 -1.44 -1.46 1.02 -1.26 -3.44 119.74 115.42 3kz1 s LYS 978 Ca 0.07 1.67 -0.04 0.00 0.02 0.00 0.00 55.97 57.70 3kz1 s LYS 978 Cb -0.02 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 3kz1 s LYS 978 CO 0.05 -0.53 0.31 -0.25 -0.92 0.00 0.00 175.35 174.02 3kz1 n ASP 979 N 5.63 -5.09 -3.71 2.83 8.00 -1.26 -4.96 116.55 117.99 3kz1 n ASP 979 Ca 0.12 -0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 3kz1 n ASP 979 Cb 0.46 -4.20 -0.18 0.00 -0.02 0.00 0.00 41.12 37.18 3kz1 n ASP 979 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kz1 s LYS 980 N -5.47 0.23 0.15 -1.24 -0.14 -1.22 -5.14 119.74 106.90 3kz1 s LYS 980 Ca 0.19 0.21 0.07 0.00 -1.36 0.00 0.00 55.97 55.07 3kz1 s LYS 980 Cb -0.09 -0.86 -0.04 0.00 -1.68 0.00 0.00 37.83 35.16 3kz1 s LYS 980 CO 0.23 -0.36 -0.15 0.95 -0.76 0.00 0.00 175.35 175.26 3kz1 s THR 981 N 2.08 1.54 -0.08 2.17 -4.23 -1.26 -2.46 115.64 113.39 3kz1 s THR 981 Ca 0.05 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 3kz1 s THR 981 Cb -0.13 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.02 3kz1 s THR 981 CO -0.05 -0.43 0.18 -0.22 -0.54 0.00 0.00 174.62 173.57 3kz1 s LEU 982 N -2.70 0.41 -0.03 4.79 0.20 -0.73 -4.96 118.68 115.65 3kz1 s LEU 982 Ca 0.14 0.39 -0.27 0.00 0.69 0.00 0.00 54.13 55.08 3kz1 s LEU 982 Cb -0.04 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.16 3kz1 s LEU 982 CO 0.05 -0.18 0.83 -1.81 -0.29 0.00 0.00 176.35 174.95 3kz1 s ASP 983 N 1.51 7.17 0.39 3.68 1.01 -1.26 -0.38 116.67 128.78 3kz1 s ASP 983 Ca -0.06 1.42 0.04 0.00 0.71 0.00 0.00 52.55 54.66 3kz1 s ASP 983 Cb -0.11 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3kz1 s ASP 983 CO -0.07 -0.18 0.06 -0.76 0.21 0.00 0.00 175.17 174.44 3kz1 s LEU 984 N 0.86 2.25 -0.12 1.23 1.43 -0.45 -4.65 118.68 119.23 3kz1 s LEU 984 Ca 0.44 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.03 3kz1 s LEU 984 Cb -0.19 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.62 3kz1 s LEU 984 CO 0.23 -0.71 -0.03 -2.28 0.23 0.00 0.00 176.35 173.79 3kz1 s HIS 985 N -3.12 1.21 0.07 0.29 5.65 -0.23 -2.80 115.29 116.35 3kz1 s HIS 985 Ca 0.28 -0.66 0.04 0.00 0.25 0.00 0.00 55.06 54.98 3kz1 s HIS 985 Cb 0.06 -1.08 -0.04 0.00 -1.18 0.00 0.00 32.58 30.34 3kz1 s HIS 985 CO 0.14 -0.49 -0.01 0.54 -0.65 0.00 0.00 174.74 174.26 3kz1 s VAL 986 N 1.80 3.97 -0.10 0.89 0.11 -0.28 -2.17 120.40 124.62 3kz1 s VAL 986 Ca 0.03 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 3kz1 s VAL 986 Cb -0.14 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 3kz1 s VAL 986 CO -0.07 0.19 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.97 3kz1 s LEU 987 N -2.09 2.56 -0.37 2.54 1.43 -0.76 -2.08 118.68 119.91 3kz1 s LEU 987 Ca 0.24 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 3kz1 s LEU 987 Cb -0.12 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3kz1 s LEU 987 CO 0.16 0.21 0.23 -0.22 0.23 0.00 0.00 176.35 176.96 3kz1 s LEU 988 N 0.06 4.74 0.54 1.79 0.20 -0.13 -2.05 118.68 123.84 3kz1 s LEU 988 Ca -0.07 -0.86 0.06 0.00 0.69 0.00 0.00 54.13 53.95 3kz1 s LEU 988 Cb -0.15 -2.07 0.04 0.00 -0.43 0.00 0.00 46.19 43.59 3kz1 s LEU 988 CO 0.05 -0.37 0.46 -0.76 -0.29 0.00 0.00 176.35 175.44 3kz1 s LEU 989 N 1.61 2.78 0.25 -0.68 1.43 0.19 -0.23 118.68 124.02 3kz1 s LEU 989 Ca 0.03 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 51.91 3kz1 s LEU 989 Cb -0.19 -1.27 0.35 0.00 0.03 0.00 0.00 46.19 45.11 3kz1 s LEU 989 CO 0.08 -1.13 1.85 -0.33 0.23 0.00 0.00 176.35 177.05 3kz1 h GLU 990 N 0.68 0.96 -0.00 1.70 5.08 -1.85 -3.23 114.58 117.91 3kz1 h GLU 990 Ca -0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3kz1 h GLU 990 Cb 1.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kz1 h GLU 990 CO 0.55 0.64 -0.04 -0.40 -1.00 0.00 0.00 179.01 178.75 3kz1 n ASP 991 N -4.61 0.81 -3.86 1.42 5.75 -1.26 -4.66 116.55 110.13 3kz1 n ASP 991 Ca 0.13 -0.90 -0.10 0.00 -0.01 0.00 0.00 54.79 53.90 3kz1 n ASP 991 Cb 0.19 0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 40.56 3kz1 n ASP 991 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3kz1 s LEU 992 N -0.92 1.46 -0.23 -2.12 1.43 -1.22 -1.16 118.68 115.92 3kz1 s LEU 992 Ca 0.02 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3kz1 s LEU 992 Cb 0.02 0.85 0.04 0.00 0.03 0.00 0.00 46.19 47.14 3kz1 s LEU 992 CO 0.06 -0.51 -0.13 -0.22 0.23 0.00 0.00 176.35 175.77 3kz1 s LEU 993 N -1.96 2.99 -0.17 1.79 2.96 -0.08 -0.64 118.68 123.58 3kz1 s LEU 993 Ca -0.07 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 52.71 3kz1 s LEU 993 Cb -0.02 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3kz1 s LEU 993 CO -0.03 -0.12 -0.02 0.54 -1.32 0.00 0.00 176.35 175.40 3kz1 s VAL 994 N 1.19 4.02 -0.24 1.68 0.11 -0.87 -0.84 120.40 125.46 3kz1 s VAL 994 Ca -0.03 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 3kz1 s VAL 994 Cb -0.17 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 3kz1 s VAL 994 CO -0.08 0.48 0.12 -0.76 -3.33 0.00 0.00 175.10 171.53 3kz1 s LEU 995 N 0.49 3.81 -0.11 2.54 1.43 0.30 -1.83 118.68 125.31 3kz1 s LEU 995 Ca -0.02 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3kz1 s LEU 995 Cb -0.14 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3kz1 s LEU 995 CO 0.02 0.03 -0.22 -0.76 0.23 0.00 0.00 176.35 175.66 3kz1 s LEU 996 N 1.24 2.04 0.05 1.79 1.43 -0.92 -4.80 118.68 119.51 3kz1 s LEU 996 Ca 0.06 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3kz1 s LEU 996 Cb -0.14 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3kz1 s LEU 996 CO 0.05 0.12 0.15 -1.58 0.23 0.00 0.00 176.35 175.31 3kz1 s GLN 997 N 0.55 3.22 -0.15 1.70 0.74 -0.93 -1.06 119.66 123.72 3kz1 s GLN 997 Ca -0.14 -0.51 -0.04 0.00 0.05 0.00 0.00 55.36 54.72 3kz1 s GLN 997 Cb -0.17 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 3kz1 s GLN 997 CO 0.05 0.61 -0.03 0.15 -0.55 0.00 0.00 175.29 175.51 3kz1 s LYS 998 N -2.30 3.62 0.00 1.67 1.02 -1.26 -0.18 119.74 122.32 3kz1 s LYS 998 Ca 0.31 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.79 3kz1 s LYS 998 Cb -0.13 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3kz1 s LYS 998 CO 0.23 0.28 0.00 1.04 -0.92 0.00 0.00 175.35 175.98 3kz1 n GLN 999 N 3.42 0.00 0.00 1.68 6.02 -1.17 -5.01 117.38 122.32 3kz1 n GLN 999 Ca -0.17 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3kz1 n GLN 999 Cb 0.53 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.42 3kz1 n GLN 999 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kz1 n ASP 1000N -1.41 0.00 -0.22 1.08 9.92 -1.26 -4.90 116.55 119.76 3kz1 n ASP 1000Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 3kz1 n ASP 1000Cb 0.00 -0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 3kz1 n ASP 1000CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3kz1 n GLU 1001N -1.20 0.41 -3.39 -1.24 4.07 -1.26 -5.00 120.64 113.03 3kz1 n GLU 1001Ca 0.00 -1.01 -0.34 0.00 -0.06 0.00 0.00 57.16 55.75 3kz1 n GLU 1001Cb 0.00 -1.10 -0.06 0.00 -0.06 0.00 0.00 31.44 30.22 3kz1 n GLU 1001CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3kz1 s LYS 1002N -0.55 3.91 -0.45 5.31 1.02 -1.26 -4.84 119.74 122.89 3kz1 s LYS 1002Ca 0.07 0.41 -0.08 0.00 0.02 0.00 0.00 55.97 56.38 3kz1 s LYS 1002Cb 0.04 -2.86 0.11 0.00 -0.52 0.00 0.00 37.83 34.60 3kz1 s LYS 1002CO 0.06 0.44 0.30 -0.51 -0.92 0.00 0.00 175.35 174.73 3kz1 s LEU 1003N -2.18 5.48 0.16 3.17 1.43 0.12 -3.05 118.68 123.82 3kz1 s LEU 1003Ca 0.40 -1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 3kz1 s LEU 1003Cb -0.14 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.03 3kz1 s LEU 1003CO 0.20 -0.63 0.91 -0.76 0.23 0.00 0.00 176.35 176.29 3kz1 s LEU 1004N 1.35 4.56 -0.32 1.79 1.43 0.75 -1.34 118.68 126.90 3kz1 s LEU 1004Ca 0.05 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 54.90 3kz1 s LEU 1004Cb -0.25 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.49 3kz1 s LEU 1004CO -0.00 0.06 0.07 -0.76 0.23 0.00 0.00 176.35 175.94 3kz1 s LEU 1005N -0.58 4.17 0.39 1.79 1.43 -0.40 -2.20 118.68 123.28 3kz1 s LEU 1005Ca 0.42 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 3kz1 s LEU 1005Cb -0.24 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3kz1 s LEU 1005CO 0.29 -0.30 0.08 -0.54 0.23 0.00 0.00 176.35 176.11 3kz1 s LYS 1006N 1.35 1.85 -0.23 1.70 1.02 -1.26 -4.27 119.74 119.89 3kz1 s LYS 1006Ca -0.03 -2.10 -0.11 0.00 0.02 0.00 0.00 55.97 53.75 3kz1 s LYS 1006Cb -0.20 -0.85 -0.18 0.00 -0.52 0.00 0.00 37.83 36.09 3kz1 s LYS 1006CO 0.01 -0.34 -0.05 0.00 -0.92 0.00 0.00 175.35 174.06 3kz1 n HIS 1008N -3.94 -0.78 -2.69 0.00 -0.00 -1.26 -2.54 115.22 104.00 3kz1 n HIS 1008Ca -0.43 0.47 -0.20 0.00 -0.00 0.00 0.00 57.72 57.56 3kz1 n HIS 1008Cb 0.89 -2.27 0.03 0.00 -0.00 0.00 0.00 29.99 28.64 3kz1 n HIS 1008CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3kz1 s SER 1009N -0.08 5.31 -0.06 0.41 1.04 -1.26 -1.73 113.70 117.33 3kz1 s SER 1009Ca 0.00 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 3kz1 s SER 1009Cb 0.00 -0.82 -0.06 0.00 0.10 0.00 0.00 66.02 65.24 3kz1 s SER 1009CO 0.00 -1.10 0.39 0.11 0.98 0.00 0.00 173.24 173.62 3kz1 h LYS 1010N 0.14 -0.29 -2.39 4.02 1.57 -1.97 -3.48 116.57 114.18 3kz1 h LYS 1010Ca -0.42 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3kz1 h LYS 1010Cb 1.29 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3kz1 h LYS 1010CO 0.51 -0.15 0.00 0.94 -0.57 0.00 0.00 179.45 180.17 3kz1 n GLN 1020N -4.97 0.00 -4.47 3.15 7.27 -1.26 -4.90 117.38 112.20 3kz1 n GLN 1020Ca -0.04 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.80 3kz1 n GLN 1020Cb 0.13 -0.45 -0.10 0.00 2.41 0.00 0.00 30.24 32.23 3kz1 n GLN 1020CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3kz1 s THR 1021N -1.54 1.90 0.06 1.69 -4.23 -1.26 -5.05 115.64 107.20 3kz1 s THR 1021Ca 0.00 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.26 3kz1 s THR 1021Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 3kz1 s THR 1021CO 0.00 -0.28 0.34 -0.36 -0.54 0.00 0.00 174.62 173.79 3kz1 s PHE 1022N -2.84 3.57 -0.03 3.99 0.40 -0.71 -5.02 117.98 117.34 3kz1 s PHE 1022Ca 0.30 0.68 -0.19 0.00 -0.60 0.00 0.00 56.93 57.12 3kz1 s PHE 1022Cb 0.03 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.43 3kz1 s PHE 1022CO 0.14 0.55 0.55 0.45 0.70 0.00 0.00 175.22 177.60 3kz1 s SER 1023N -1.80 6.88 0.51 1.36 0.15 -1.26 -4.34 113.70 115.20 3kz1 s SER 1023Ca 0.32 1.05 0.31 0.00 0.70 0.00 0.00 55.95 58.33 3kz1 s SER 1023Cb -0.13 -2.33 1.13 0.00 -1.71 0.00 0.00 66.02 62.97 3kz1 s SER 1023CO 0.18 0.10 1.89 1.55 1.20 0.00 0.00 173.24 178.16 3kz1 h PRO 1024N 5.83 0.00 -5.16 5.44 0.13 -1.83 -3.42 132.00 132.99 3kz1 h PRO 1024Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 3kz1 h PRO 1024Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 3kz1 h PRO 1024CO 0.70 0.00 -0.81 0.08 -0.23 0.00 0.00 178.00 177.74 3kz1 s VAL 1025N -3.55 2.57 -0.08 1.56 1.01 -1.26 -0.54 120.40 120.11 3kz1 s VAL 1025Ca 0.03 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3kz1 s VAL 1025Cb 0.08 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3kz1 s VAL 1025CO 0.56 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 175.30 3kz1 s LEU 1026N 0.93 2.82 -0.07 3.92 1.43 -0.02 -4.76 118.68 122.94 3kz1 s LEU 1026Ca -0.03 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 3kz1 s LEU 1026Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3kz1 s LEU 1026CO -0.02 0.29 0.88 -0.54 0.23 0.00 0.00 176.35 177.19 3kz1 s LYS 1027N -0.40 4.45 0.45 1.70 1.02 -1.26 -0.90 119.74 124.80 3kz1 s LYS 1027Ca 0.05 1.19 0.30 0.00 0.02 0.00 0.00 55.97 57.53 3kz1 s LYS 1027Cb -0.12 -3.49 1.29 0.00 -0.52 0.00 0.00 37.83 34.98 3kz1 s LYS 1027CO 0.02 -0.13 1.90 -0.07 -0.92 0.00 0.00 175.35 176.16 3kz1 h LEU 1028N 7.32 0.00 -1.00 3.17 3.38 -1.48 -2.14 115.31 124.56 3kz1 h LEU 1028Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3kz1 h LEU 1028Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kz1 h LEU 1028CO 0.79 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.86 3kz1 n ASN 1029N -2.77 1.40 -2.70 -0.43 6.94 -1.26 -3.59 115.26 112.86 3kz1 n ASN 1029Ca 0.01 -2.07 -0.01 0.00 -0.02 0.00 0.00 54.58 52.48 3kz1 n ASN 1029Cb 0.26 -0.26 0.09 0.00 -2.36 0.00 0.00 39.78 37.52 3kz1 n ASN 1029CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kz1 n ALA 1030N 0.10 2.79 -2.25 -2.53 0.00 -0.80 -4.96 120.51 112.85 3kz1 n ALA 1030Ca 0.07 -1.69 -0.14 0.00 0.00 0.00 0.00 53.44 51.67 3kz1 n ALA 1030Cb 0.26 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 3kz1 n ALA 1030CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kz1 s VAL 1031N -1.42 0.97 0.06 0.00 -7.23 -1.24 -0.17 120.40 111.38 3kz1 s VAL 1031Ca 0.16 -2.02 0.09 0.00 -1.81 0.00 0.00 61.98 58.40 3kz1 s VAL 1031Cb 0.39 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 3kz1 s VAL 1031CO -0.09 -0.62 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.08 3kz1 s LEU 1032N -3.18 2.19 -0.17 1.32 1.43 0.28 -4.94 118.68 115.62 3kz1 s LEU 1032Ca 0.20 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3kz1 s LEU 1032Cb 0.04 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 3kz1 s LEU 1032CO 0.02 0.20 -0.13 -0.63 0.23 0.00 0.00 176.35 176.04 3kz1 s ILE 1033N -0.86 2.80 0.00 -0.59 -1.09 -1.26 -0.88 121.20 119.33 3kz1 s ILE 1033Ca 0.10 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 3kz1 s ILE 1033Cb -0.10 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 3kz1 s ILE 1033CO 0.03 0.50 0.06 -0.13 -1.23 0.00 0.00 174.94 174.17 3kz1 s ARG 1034N 0.92 0.35 0.08 2.79 1.81 -0.81 -5.02 118.95 119.07 3kz1 s ARG 1034Ca -0.03 -0.39 -0.25 0.00 -1.72 0.00 0.00 55.73 53.34 3kz1 s ARG 1034Cb -0.15 0.14 -0.06 0.00 -0.45 0.00 0.00 34.95 34.43 3kz1 s ARG 1034CO -0.01 -0.07 0.77 -1.12 -0.68 0.00 0.00 175.30 174.18 3kz1 s SER 1035N -1.18 7.27 -0.14 0.23 0.01 -1.26 0.63 113.70 119.26 3kz1 s SER 1035Ca -0.13 1.51 -0.29 0.00 1.31 0.00 0.00 55.95 58.35 3kz1 s SER 1035Cb -0.07 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 3kz1 s SER 1035CO 0.00 0.08 1.18 -0.69 0.41 0.00 0.00 173.24 174.23 3kz1 s VAL 1036N -0.41 4.39 0.09 3.43 1.01 -1.19 -4.80 120.40 122.91 3kz1 s VAL 1036Ca 0.38 1.68 0.01 0.00 0.00 0.00 0.00 61.98 64.05 3kz1 s VAL 1036Cb -0.21 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 3kz1 s VAL 1036CO 0.24 -0.09 1.17 0.00 0.00 0.00 0.00 175.10 176.42 3kz1 h ALA 1037N 7.76 0.23 0.00 5.51 0.00 -1.96 -3.17 119.26 127.63 3kz1 h ALA 1037Ca -0.28 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3kz1 h ALA 1037Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kz1 h ALA 1037CO 0.94 1.12 0.00 0.25 0.00 0.00 0.00 179.25 181.56 3kz1 n THR 1038N -3.43 0.39 -3.58 0.00 -2.24 -1.26 -4.67 114.28 99.48 3kz1 n THR 1038Ca -0.06 0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3kz1 n THR 1038Cb 0.99 -0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 68.37 3kz1 n THR 1038CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kz1 s ASP 1039N -3.16 2.84 0.00 3.42 -1.08 -1.20 -5.00 116.67 112.50 3kz1 s ASP 1039Ca 0.11 -0.90 0.25 0.00 -0.52 0.00 0.00 52.55 51.50 3kz1 s ASP 1039Cb 0.15 -0.29 1.42 0.00 -1.46 0.00 0.00 42.92 42.74 3kz1 s ASP 1039CO 0.45 -0.39 1.87 0.29 0.52 0.00 0.00 175.17 177.91 3kz1 n LYS 1040N 5.26 0.61 0.01 4.34 5.02 -1.26 -2.58 118.16 129.57 3kz1 n LYS 1040Ca -0.07 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3kz1 n LYS 1040Cb 0.46 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 3kz1 n LYS 1040CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kz1 h ARG 1041N 0.00 0.11 -6.27 1.97 2.47 -1.90 -3.41 114.38 107.36 3kz1 h ARG 1041Ca 0.00 -0.19 -0.56 0.00 -1.26 0.00 0.00 59.98 57.96 3kz1 h ARG 1041Cb 0.10 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 3kz1 h ARG 1041CO 0.00 0.84 -0.24 0.00 0.56 0.00 0.00 179.97 181.13 3kz1 s ALA 1042N -2.61 3.71 0.04 0.04 0.00 -1.06 -1.01 121.76 120.86 3kz1 s ALA 1042Ca -0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3kz1 s ALA 1042Cb 0.08 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3kz1 s ALA 1042CO 0.82 0.60 0.01 -0.59 0.00 0.00 0.00 175.76 176.60 3kz1 s PHE 1043N -1.73 0.33 -0.07 0.00 -0.12 -0.07 -3.17 117.98 113.15 3kz1 s PHE 1043Ca 0.43 -0.71 -0.11 0.00 -0.05 0.00 0.00 56.93 56.50 3kz1 s PHE 1043Cb -0.12 -0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 3kz1 s PHE 1043CO 0.24 -0.31 0.26 -0.06 -0.05 0.00 0.00 175.22 175.30 3kz1 s PHE 1044N -2.65 3.65 -0.18 3.49 0.08 0.21 -1.81 117.98 120.76 3kz1 s PHE 1044Ca -0.05 0.73 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 3kz1 s PHE 1044Cb -0.01 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3kz1 s PHE 1044CO -0.05 0.67 -0.13 0.42 -0.10 0.00 0.00 175.22 176.04 3kz1 s ILE 1045N -0.97 2.81 -0.26 0.64 1.01 0.08 -1.93 121.20 122.59 3kz1 s ILE 1045Ca 0.19 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3kz1 s ILE 1045Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3kz1 s ILE 1045CO 0.08 0.49 0.09 -0.63 0.00 0.00 0.00 174.94 174.97 3kz1 s ILE 1046N 1.05 4.38 -0.21 2.92 1.01 -0.06 -0.53 121.20 129.77 3kz1 s ILE 1046Ca -0.01 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 3kz1 s ILE 1046Cb -0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 3kz1 s ILE 1046CO -0.03 0.29 0.82 0.00 0.00 0.00 0.00 174.94 176.02 3kz1 n THR 1048N 4.98 2.11 -2.08 0.00 -2.24 0.76 -2.09 114.28 115.71 3kz1 n THR 1048Ca 0.05 -1.86 -0.41 0.00 -2.27 0.00 0.00 64.05 59.55 3kz1 n THR 1048Cb 0.48 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 3kz1 n THR 1048CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kz1 s SER 1049N -2.00 6.73 1.01 3.42 0.01 -1.24 -4.97 113.70 116.66 3kz1 s SER 1049Ca 0.38 2.63 -0.14 0.00 1.31 0.00 0.00 55.95 60.13 3kz1 s SER 1049Cb 0.31 -2.63 0.19 0.00 0.21 0.00 0.00 66.02 64.10 3kz1 s SER 1049CO 0.08 -0.62 1.11 1.17 0.41 0.00 0.00 173.24 175.39 3kz1 n LYS 1050N 1.90 -1.15 0.00 12.44 4.81 -1.26 -4.13 118.16 130.77 3kz1 n LYS 1050Ca 0.04 -1.71 0.00 0.00 -0.87 0.00 0.00 58.31 55.77 3kz1 n LYS 1050Cb 0.41 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.31 3kz1 n LYS 1050CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kz1 n LEU 1051N 0.00 0.00 -4.07 3.14 4.32 -1.26 -4.90 117.00 114.23 3kz1 n LEU 1051Ca 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.04 3kz1 n LEU 1051Cb 0.48 -0.03 -0.09 0.00 -1.62 0.00 0.00 43.42 42.16 3kz1 n LEU 1051CO 0.35 0.00 -0.26 -0.83 -1.22 0.00 0.00 177.39 175.43 3kz1 s GLY 1052N -1.35 0.66 0.31 -0.72 0.00 -1.26 -4.88 107.32 100.08 3kz1 s GLY 1052Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 3kz1 s GLY 1052CO 0.00 -1.22 1.44 -4.14 0.00 0.00 0.00 173.10 169.18 3kz1 s PRO 1053N -3.98 4.23 0.75 2.90 0.02 -1.26 -4.87 135.00 132.79 3kz1 s PRO 1053Ca 0.16 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 3kz1 s PRO 1053Cb 0.07 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.58 3kz1 s PRO 1053CO -0.04 -0.42 1.11 -1.25 -0.33 0.00 0.00 177.00 176.08 3kz1 s PRO 1054N -1.18 2.28 0.02 5.54 0.04 -1.26 -4.96 135.00 135.47 3kz1 s PRO 1054Ca 0.56 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 3kz1 s PRO 1054Cb -0.43 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3kz1 s PRO 1054CO 0.51 -1.64 0.20 -1.14 0.04 0.00 0.00 177.00 174.97 3kz1 s GLN 1055N -4.53 0.61 -0.39 4.56 2.00 -0.89 -4.99 119.66 116.04 3kz1 s GLN 1055Ca 0.65 -0.47 -0.13 0.00 -2.00 0.00 0.00 55.36 53.41 3kz1 s GLN 1055Cb -0.20 0.26 0.02 0.00 0.80 0.00 0.00 33.01 33.89 3kz1 s GLN 1055CO 0.51 -0.17 0.25 0.42 -0.50 0.00 0.00 175.29 175.80 3kz1 s ILE 1056N -1.91 4.86 -0.35 -2.34 -1.09 -1.26 -0.68 121.20 118.42 3kz1 s ILE 1056Ca -0.10 -0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 57.36 3kz1 s ILE 1056Cb -0.04 -3.71 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3kz1 s ILE 1056CO -0.00 -0.27 0.49 -0.31 -1.23 0.00 0.00 174.94 173.62 3kz1 s TYR 1057N 1.61 3.18 -0.41 3.97 1.51 0.31 -4.98 117.35 122.54 3kz1 s TYR 1057Ca 0.03 0.14 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 3kz1 s TYR 1057Cb -0.19 -2.89 0.02 0.00 -0.11 0.00 0.00 41.96 38.80 3kz1 s TYR 1057CO 0.08 -0.53 0.31 -2.00 -1.11 0.00 0.00 175.55 172.30 3kz1 s GLU 1058N 2.33 2.97 -0.14 -0.62 2.12 -1.26 -0.74 118.70 123.37 3kz1 s GLU 1058Ca 0.17 -1.03 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3kz1 s GLU 1058Cb -0.16 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 3kz1 s GLU 1058CO 0.13 -0.77 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.46 3kz1 s LEU 1059N 1.69 2.82 -0.15 2.70 1.43 -0.75 -0.89 118.68 125.52 3kz1 s LEU 1059Ca 0.05 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3kz1 s LEU 1059Cb -0.19 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3kz1 s LEU 1059CO 0.10 0.16 0.03 -0.69 0.23 0.00 0.00 176.35 176.18 3kz1 s VAL 1060N 0.40 4.50 0.47 -1.59 1.01 0.10 -0.89 120.40 124.40 3kz1 s VAL 1060Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3kz1 s VAL 1060Cb -0.16 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3kz1 s VAL 1060CO 0.05 0.52 0.64 0.00 0.00 0.00 0.00 175.10 176.30 3kz1 s ALA 1061N -0.04 4.32 0.01 5.51 0.00 -0.18 -2.01 121.76 129.37 3kz1 s ALA 1061Ca 0.05 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 3kz1 s ALA 1061Cb -0.12 -1.78 -0.18 0.00 0.00 0.00 0.00 23.12 21.04 3kz1 s ALA 1061CO 0.02 -0.45 1.24 -0.07 0.00 0.00 0.00 175.76 176.50 3kz1 h LEU 1062N 0.44 0.34 -9.02 0.00 4.07 -1.86 -3.46 115.31 105.82 3kz1 h LEU 1062Ca -0.41 -0.58 -0.40 0.00 0.08 0.00 0.00 57.88 56.57 3kz1 h LEU 1062Cb 1.29 -0.10 -0.14 0.00 1.08 0.00 0.00 40.66 42.79 3kz1 h LEU 1062CO 0.47 0.86 -0.60 0.42 -1.08 0.00 0.00 178.44 178.51 3kz1 s THR 1063N -3.90 0.67 0.38 0.22 -4.23 -1.26 -5.01 115.64 102.49 3kz1 s THR 1063Ca -0.15 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 3kz1 s THR 1063Cb 0.04 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.48 3kz1 s THR 1063CO 0.75 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 177.60 3kz1 h SER 1064N 2.25 0.54 0.68 3.99 4.64 -1.90 -1.49 113.55 122.26 3kz1 h SER 1064Ca -0.38 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 60.78 3kz1 h SER 1064Cb 1.25 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3kz1 h SER 1064CO 0.61 0.45 -0.61 -1.28 -0.87 0.00 0.00 176.83 175.13 3kz1 h SER 1065N 0.62 0.00 -0.10 4.97 0.87 -1.96 -2.17 113.55 115.79 3kz1 h SER 1065Ca 0.16 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.51 3kz1 h SER 1065Cb 0.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3kz1 h SER 1065CO -0.03 0.61 -0.74 -0.78 -0.53 0.00 0.00 176.83 175.36 3kz1 h ASP 1066N 0.00 0.83 -0.56 6.23 3.58 -1.78 -2.35 116.42 122.37 3kz1 h ASP 1066Ca -0.01 -0.66 0.11 0.00 0.42 0.00 0.00 57.03 56.89 3kz1 h ASP 1066Cb 1.11 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 41.83 3kz1 h ASP 1066CO 0.08 1.36 0.07 0.50 -2.88 0.00 0.00 179.24 178.37 3kz1 h LYS 1067N 0.36 0.18 -0.52 0.28 3.11 -1.14 -0.96 116.57 117.88 3kz1 h LYS 1067Ca -0.06 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.71 3kz1 h LYS 1067Cb 1.39 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.55 3kz1 h LYS 1067CO 0.15 0.12 0.12 -0.91 -2.81 0.00 0.00 179.45 176.12 3kz1 h ASN 1068N 0.19 0.75 -0.31 4.20 -0.26 -1.30 -1.60 115.58 117.25 3kz1 h ASN 1068Ca 0.29 -0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 3kz1 h ASN 1068Cb 0.44 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3kz1 h ASN 1068CO -0.42 0.74 -0.03 0.74 -1.06 0.00 0.00 177.43 177.40 3kz1 h THR 1069N 0.77 1.27 0.46 2.81 2.02 -0.82 -0.79 112.91 118.63 3kz1 h THR 1069Ca 0.17 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 3kz1 h THR 1069Cb 0.30 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3kz1 h THR 1069CO -0.00 0.33 -0.29 -0.50 0.37 0.00 0.00 175.52 175.43 3kz1 h TRP 1070N 0.35 -0.76 -0.78 3.16 4.06 -1.14 -1.40 115.95 119.45 3kz1 h TRP 1070Ca 0.08 -0.01 0.18 0.00 2.06 0.00 0.00 58.89 61.21 3kz1 h TRP 1070Cb 0.50 0.27 -0.12 0.00 -1.00 0.00 0.00 29.16 28.81 3kz1 h TRP 1070CO 0.04 -0.44 0.20 0.52 -3.56 0.00 0.00 178.44 175.20 3kz1 h MET 1071N -0.71 0.26 -0.29 0.49 2.86 -1.22 0.34 114.93 116.66 3kz1 h MET 1071Ca -0.05 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3kz1 h MET 1071Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3kz1 h MET 1071CO 0.05 0.17 -0.09 1.49 1.06 0.00 0.00 176.91 179.59 3kz1 h GLU 1072N 0.27 0.57 -0.07 1.72 4.81 -0.96 -1.26 114.58 119.65 3kz1 h GLU 1072Ca 0.45 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 3kz1 h GLU 1072Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kz1 h GLU 1072CO -0.55 0.78 -0.73 -0.07 -0.73 0.00 0.00 179.01 177.71 3kz1 h LEU 1073N 0.33 0.47 0.44 1.64 3.38 -0.11 -2.84 115.31 118.61 3kz1 h LEU 1073Ca 0.07 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kz1 h LEU 1073Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kz1 h LEU 1073CO 0.03 1.05 -0.32 -0.07 0.09 0.00 0.00 178.44 179.22 3kz1 h LEU 1074N 0.27 -0.83 -1.24 1.67 4.07 -0.27 -2.05 115.31 116.93 3kz1 h LEU 1074Ca -0.03 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.08 3kz1 h LEU 1074Cb 1.31 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 43.25 3kz1 h LEU 1074CO 0.12 -0.48 0.56 -0.33 -1.08 0.00 0.00 178.44 177.23 3kz1 h GLU 1075N -0.75 0.83 -0.39 1.13 5.08 -1.22 -0.69 114.58 118.56 3kz1 h GLU 1075Ca -0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3kz1 h GLU 1075Cb 0.63 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kz1 h GLU 1075CO 0.01 0.55 -0.08 1.49 -1.00 0.00 0.00 179.01 179.98 3kz1 h GLU 1076N 0.85 0.75 -0.10 2.33 4.57 -1.40 -2.18 114.58 119.40 3kz1 h GLU 1076Ca 0.39 -0.28 -0.24 0.00 -1.18 0.00 0.00 59.36 58.05 3kz1 h GLU 1076Cb 0.39 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3kz1 h GLU 1076CO -0.16 0.88 -0.88 0.00 -1.18 0.00 0.00 179.01 177.67 3kz1 h ALA 1077N 0.84 0.24 -0.60 2.92 0.00 -0.52 -1.86 119.26 120.28 3kz1 h ALA 1077Ca 0.10 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kz1 h ALA 1077Cb 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3kz1 h ALA 1077CO 0.04 0.68 0.36 0.28 0.00 0.00 0.00 179.25 180.61 3kz1 h VAL 1078N 0.49 1.06 -0.60 0.00 2.07 -1.19 0.94 116.25 119.02 3kz1 h VAL 1078Ca -0.08 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3kz1 h VAL 1078Cb 1.52 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3kz1 h VAL 1078CO 0.18 0.13 0.39 0.03 0.02 0.00 0.00 177.57 178.32 3kz1 h ARG 1079N 0.71 0.76 0.00 1.57 3.08 -1.27 0.80 114.38 120.04 3kz1 h ARG 1079Ca 0.24 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3kz1 h ARG 1079Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3kz1 h ARG 1079CO -0.11 0.51 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.12 3kz1 h ASN 1080N 0.79 0.00 -0.14 7.04 4.21 -0.83 -2.42 115.58 124.23 3kz1 h ASN 1080Ca 0.23 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.55 3kz1 h ASN 1080Cb -0.06 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.15 3kz1 h ASN 1080CO -0.06 0.27 -0.66 0.00 -1.29 0.00 0.00 177.43 175.69 3kz1 h ALA 1081N 1.73 0.27 -0.02 -0.83 0.00 -0.47 -3.51 119.26 116.43 3kz1 h ALA 1081Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3kz1 h ALA 1081Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kz1 h ALA 1081CO 0.03 0.56 0.00 2.41 0.00 0.00 0.00 179.25 182.25