#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw4 s PRO 769 N 0.00 1.91 0.29 5.56 0.02 -1.26 -4.82 135.00 136.70 1uw4 s PRO 769 Ca 0.00 1.42 -0.00 0.00 0.02 0.00 0.00 61.00 62.44 1uw4 s PRO 769 Cb 0.00 -1.84 0.49 0.00 0.02 0.00 0.00 34.50 33.17 1uw4 s PRO 769 CO 0.00 -1.95 1.91 -1.35 -0.33 0.00 0.00 177.00 175.29 1uw4 h PRO 770 N -1.08 1.05 -0.21 5.54 0.11 -2.06 -2.47 132.00 132.88 1uw4 h PRO 770 Ca -0.44 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1uw4 h PRO 770 Cb 1.26 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1uw4 h PRO 770 CO 0.48 0.69 -0.43 1.25 -0.21 0.00 0.00 178.00 179.79 1uw4 h LEU 771 N 1.08 0.55 -0.67 2.35 5.85 -1.99 -1.51 115.31 120.97 1uw4 h LEU 771 Ca 0.39 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1uw4 h LEU 771 Cb 0.14 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1uw4 h LEU 771 CO -0.14 0.91 0.23 1.56 -0.34 0.00 0.00 178.44 180.66 1uw4 h GLN 772 N 0.42 1.04 -0.23 1.25 4.20 -1.83 -1.87 115.11 118.09 1uw4 h GLN 772 Ca 0.03 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1uw4 h GLN 772 Cb 0.92 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1uw4 h GLN 772 CO 0.08 0.89 -0.27 0.93 -0.67 0.00 0.00 178.83 179.79 1uw4 h GLU 773 N 0.98 0.44 -0.11 1.46 4.39 -1.17 -2.16 114.58 118.40 1uw4 h GLU 773 Ca 0.22 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1uw4 h GLU 773 Cb 0.27 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1uw4 h GLU 773 CO -0.01 0.67 0.00 -0.92 -1.16 0.00 0.00 179.01 177.60 1uw4 h TYR 774 N 0.39 0.20 -0.79 4.33 3.20 -1.13 -0.30 116.97 122.88 1uw4 h TYR 774 Ca 0.06 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1uw4 h TYR 774 Cb 0.68 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1uw4 h TYR 774 CO 0.02 0.42 0.50 0.28 -1.64 0.00 0.00 178.16 177.74 1uw4 h VAL 775 N -0.08 1.21 -0.67 1.81 2.07 -1.29 -0.82 116.25 118.49 1uw4 h VAL 775 Ca 0.03 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1uw4 h VAL 775 Cb 0.34 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1uw4 h VAL 775 CO 0.00 0.21 0.21 0.03 0.02 0.00 0.00 177.57 178.04 1uw4 h ARG 776 N 1.07 1.04 -0.47 1.57 3.08 -1.33 -2.46 114.38 116.88 1uw4 h ARG 776 Ca 0.28 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1uw4 h ARG 776 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1uw4 h ARG 776 CO -0.06 0.90 0.29 -0.22 -1.07 0.00 0.00 179.97 179.82 1uw4 h LYS 777 N 0.97 0.64 -0.34 0.04 3.64 -0.53 -0.08 116.57 120.91 1uw4 h LYS 777 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1uw4 h LYS 777 Cb 0.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1uw4 h LYS 777 CO -0.01 0.45 0.18 -0.07 -2.27 0.00 0.00 179.45 177.74 1uw4 h LEU 778 N 0.63 0.43 0.17 5.20 3.38 -0.96 -0.52 115.31 123.65 1uw4 h LEU 778 Ca 0.17 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 1uw4 h LEU 778 Cb -0.03 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1uw4 h LEU 778 CO -0.03 0.41 -1.67 -0.07 0.09 0.00 0.00 178.44 177.16 1uw4 h LEU 779 N 0.42 0.56 0.00 1.67 3.38 -1.38 -2.25 115.31 117.72 1uw4 h LEU 779 Ca 0.12 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1uw4 h LEU 779 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1uw4 h LEU 779 CO -0.02 1.68 -1.56 -1.22 0.09 0.00 0.00 178.44 177.41 1uw4 n TYR 780 N -3.55 0.18 0.02 1.13 0.53 -0.05 -4.44 117.16 110.98 1uw4 n TYR 780 Ca -0.22 0.05 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 1uw4 n TYR 780 Cb 1.07 -0.49 0.00 0.00 -1.03 0.00 0.00 39.34 38.89 1uw4 n TYR 780 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1uw4 n LYS 781 N -2.16 0.00 -0.03 -0.72 5.02 -0.85 -4.78 118.16 114.63 1uw4 n LYS 781 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 1uw4 n LYS 781 Cb 0.51 -0.42 -0.07 0.00 -0.02 0.00 0.00 35.03 35.03 1uw4 n LYS 781 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1uw4 h ASP 782 N 0.00 0.88 -3.06 4.39 3.32 -1.19 -3.46 116.42 117.30 1uw4 h ASP 782 Ca 0.00 -0.61 -0.53 0.00 0.02 0.00 0.00 57.03 55.91 1uw4 h ASP 782 Cb 0.58 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.89 1uw4 h ASP 782 CO 0.00 1.35 0.70 -0.22 -1.72 0.00 0.00 179.24 179.35 1uw4 s LEU 783 N -8.52 4.37 0.32 1.55 2.96 -0.85 -4.76 118.68 113.76 1uw4 s LEU 783 Ca -0.11 2.30 -0.18 0.00 -0.22 0.00 0.00 54.13 55.92 1uw4 s LEU 783 Cb 0.08 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.23 1uw4 s LEU 783 CO 0.88 -0.62 0.82 -0.94 -1.32 0.00 0.00 176.35 175.18 1uw4 s SER 784 N 1.02 -0.06 0.29 3.68 1.04 -1.26 -4.96 113.70 113.45 1uw4 s SER 784 Ca 0.63 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1uw4 s SER 784 Cb -0.36 0.75 0.68 0.00 0.10 0.00 0.00 66.02 67.19 1uw4 s SER 784 CO 0.31 -1.47 1.78 0.11 0.98 0.00 0.00 173.24 174.96 1uw4 h LYS 785 N 2.00 0.77 0.00 4.02 1.57 -1.95 -2.35 116.57 120.62 1uw4 h LYS 785 Ca -0.28 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 1uw4 h LYS 785 Cb 1.24 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1uw4 h LYS 785 CO 0.35 0.51 -0.43 0.28 -0.57 0.00 0.00 179.45 179.59 1uw4 h VAL 786 N 0.79 0.95 -0.34 0.50 2.07 -1.96 -3.28 116.25 114.99 1uw4 h VAL 786 Ca 0.55 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1uw4 h VAL 786 Cb 0.79 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1uw4 h VAL 786 CO -0.36 0.42 0.00 0.35 0.02 0.00 0.00 177.57 178.00 1uw4 n THR 787 N -3.52 0.97 -0.35 2.57 -2.24 -0.92 -4.75 114.28 106.04 1uw4 n THR 787 Ca -0.00 -0.98 0.01 0.00 -2.27 0.00 0.00 64.05 60.80 1uw4 n THR 787 Cb 0.55 0.52 0.15 0.00 -2.10 0.00 0.00 70.33 69.46 1uw4 n THR 787 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1uw4 h THR 788 N 2.05 1.11 -0.51 4.28 1.35 -1.52 0.06 112.91 119.72 1uw4 h THR 788 Ca 0.00 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 1uw4 h THR 788 Cb 0.72 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 1uw4 h THR 788 CO 0.00 0.21 0.14 -0.33 -0.25 0.00 0.00 175.52 175.28 1uw4 h GLU 789 N 1.14 0.82 -0.11 4.72 4.39 -1.87 -1.04 114.58 122.62 1uw4 h GLU 789 Ca 0.40 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1uw4 h GLU 789 Cb 0.10 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1uw4 h GLU 789 CO -0.15 0.77 0.02 -0.22 -1.16 0.00 0.00 179.01 178.28 1uw4 h LYS 790 N 0.71 0.17 -0.17 2.33 3.64 -1.74 -2.36 116.57 119.16 1uw4 h LYS 790 Ca 0.16 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1uw4 h LYS 790 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1uw4 h LYS 790 CO -0.00 0.36 -0.28 0.28 -2.27 0.00 0.00 179.45 177.54 1uw4 h VAL 791 N -0.04 1.26 -0.52 2.00 2.07 -0.99 -1.73 116.25 118.30 1uw4 h VAL 791 Ca 0.03 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1uw4 h VAL 791 Cb 0.26 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1uw4 h VAL 791 CO 0.00 0.38 0.33 0.25 0.02 0.00 0.00 177.57 178.55 1uw4 h LEU 792 N 0.28 0.61 -0.42 2.57 5.85 -1.07 -0.28 115.31 122.85 1uw4 h LEU 792 Ca 0.04 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1uw4 h LEU 792 Cb 0.65 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1uw4 h LEU 792 CO 0.05 0.47 0.28 -0.09 -0.34 0.00 0.00 178.44 178.81 1uw4 h ARG 793 N 0.70 0.55 -0.18 1.25 2.43 -0.86 -1.75 114.38 116.52 1uw4 h ARG 793 Ca 0.19 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1uw4 h ARG 793 Cb -0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1uw4 h ARG 793 CO -0.04 0.36 -0.34 1.96 -1.51 0.00 0.00 179.97 180.40 1uw4 h GLN 794 N 0.57 0.38 -0.31 0.20 4.20 -1.06 -2.66 115.11 116.42 1uw4 h GLN 794 Ca 0.16 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1uw4 h GLN 794 Cb -0.06 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1uw4 h GLN 794 CO -0.04 0.68 -0.41 0.52 -0.67 0.00 0.00 178.83 178.91 1uw4 h MET 795 N 0.32 0.82 -0.61 1.46 2.86 -0.85 -3.05 114.93 115.88 1uw4 h MET 795 Ca 0.04 -0.47 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 1uw4 h MET 795 Cb 0.76 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1uw4 h MET 795 CO 0.06 1.11 0.40 0.00 1.06 0.00 0.00 176.91 179.54 1uw4 h ARG 796 N 0.60 0.66 0.00 1.72 3.08 -1.11 -2.35 114.38 116.98 1uw4 h ARG 796 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uw4 h ARG 796 Cb 1.01 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1uw4 h ARG 796 CO 0.10 0.44 0.00 1.63 -1.07 0.00 0.00 179.97 181.07 1uw4 n LYS 797 N -4.47 0.40 -1.42 0.04 5.02 -1.02 -4.84 118.16 111.86 1uw4 n LYS 797 Ca 0.08 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.09 1uw4 n LYS 797 Cb 0.16 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.76 1uw4 n LYS 797 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uw4 s LEU 798 N -2.48 3.26 -1.29 -0.35 1.43 -0.89 -4.91 118.68 113.45 1uw4 s LEU 798 Ca 0.25 2.20 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 1uw4 s LEU 798 Cb 0.16 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.90 1uw4 s LEU 798 CO 0.35 -2.17 1.70 -0.81 0.23 0.00 0.00 176.35 175.65 1uw4 n PRO 799 N -2.87 3.22 0.22 1.29 -0.04 -1.26 -4.79 135.00 130.77 1uw4 n PRO 799 Ca 0.12 -3.36 0.15 0.00 -0.04 0.00 0.00 63.50 60.37 1uw4 n PRO 799 Cb 0.51 -3.41 0.65 0.00 -0.04 0.00 0.00 33.50 31.20 1uw4 n PRO 799 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1uw4 h TRP 800 N 7.44 0.00 0.00 0.54 4.06 -1.91 -2.13 115.95 123.95 1uw4 h TRP 800 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1uw4 h TRP 800 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1uw4 h TRP 800 CO 1.37 0.00 0.00 1.96 -3.56 0.00 0.00 178.44 178.21 1uw4 h GLN 801 N 0.00 0.00 -6.60 0.49 1.08 -2.02 -3.40 115.11 104.66 1uw4 h GLN 801 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1uw4 h GLN 801 Cb 0.38 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 1uw4 h GLN 801 CO 0.00 0.00 0.99 0.34 -0.95 0.00 0.00 178.83 179.21 1uw4 s ASP 802 N -5.65 6.46 0.37 1.46 -1.08 -0.80 -4.93 116.67 112.50 1uw4 s ASP 802 Ca 0.02 0.37 0.04 0.00 -0.52 0.00 0.00 52.55 52.46 1uw4 s ASP 802 Cb 0.09 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.73 1uw4 s ASP 802 CO 0.55 -1.42 2.02 -0.61 0.52 0.00 0.00 175.17 176.23 1uw4 h GLN 803 N 9.81 0.72 -0.90 4.34 5.75 -1.86 -1.38 115.11 131.58 1uw4 h GLN 803 Ca -0.25 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1uw4 h GLN 803 Cb 1.07 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 1uw4 h GLN 803 CO 1.15 0.47 0.55 0.93 -2.65 0.00 0.00 178.83 179.28 1uw4 h GLU 804 N 0.74 1.21 -0.14 1.69 5.08 -1.94 -0.43 114.58 120.80 1uw4 h GLU 804 Ca 0.21 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1uw4 h GLU 804 Cb -0.04 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1uw4 h GLU 804 CO -0.05 0.84 -0.30 0.28 -1.00 0.00 0.00 179.01 178.78 1uw4 h VAL 805 N 1.23 1.37 -0.31 3.13 2.07 -1.57 -2.09 116.25 120.08 1uw4 h VAL 805 Ca 0.32 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1uw4 h VAL 805 Cb -0.06 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1uw4 h VAL 805 CO -0.06 0.47 0.09 0.50 0.02 0.00 0.00 177.57 178.58 1uw4 h LYS 806 N 0.04 0.20 -0.91 1.57 3.64 -1.31 -1.86 116.57 117.94 1uw4 h LYS 806 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1uw4 h LYS 806 Cb 0.90 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1uw4 h LYS 806 CO 0.07 0.13 0.60 -0.44 -2.27 0.00 0.00 179.45 177.54 1uw4 h ASP 807 N 0.21 0.99 -0.56 4.20 3.32 -1.07 -1.87 116.42 121.63 1uw4 h ASP 807 Ca 0.14 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1uw4 h ASP 807 Cb 0.13 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1uw4 h ASP 807 CO -0.17 0.67 -0.04 0.22 -1.72 0.00 0.00 179.24 178.21 1uw4 h TYR 808 N 1.14 1.13 -0.42 4.55 3.20 -0.91 -0.85 116.97 124.81 1uw4 h TYR 808 Ca 0.36 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1uw4 h TYR 808 Cb 0.02 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 1uw4 h TYR 808 CO -0.00 1.02 0.09 0.28 -1.64 0.00 0.00 178.16 177.91 1uw4 h VAL 809 N 0.91 1.23 -0.35 1.81 2.07 -1.00 -0.89 116.25 120.03 1uw4 h VAL 809 Ca 0.15 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1uw4 h VAL 809 Cb 0.60 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1uw4 h VAL 809 CO 0.04 0.29 0.20 0.40 0.02 0.00 0.00 177.57 178.51 1uw4 h ILE 810 N 0.54 1.03 -0.80 4.57 2.04 -1.19 -1.43 117.51 122.26 1uw4 h ILE 810 Ca 0.13 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1uw4 h ILE 810 Cb 0.33 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1uw4 h ILE 810 CO 0.00 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.58 1uw4 h MET 813 N 0.58 0.59 -0.55 0.00 2.07 -0.92 -3.02 114.93 113.68 1uw4 h MET 813 Ca 0.11 -0.48 -0.01 0.00 -2.07 0.00 0.00 59.70 57.25 1uw4 h MET 813 Cb 0.43 0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.23 1uw4 h MET 813 CO 0.02 1.10 0.29 0.82 1.07 0.00 0.00 176.91 180.21 1uw4 h ILE 814 N 0.41 1.17 -0.62 -1.22 2.04 -0.93 -3.04 117.51 115.32 1uw4 h ILE 814 Ca -0.04 -0.45 -0.51 0.00 1.00 0.00 0.00 64.86 64.86 1uw4 h ILE 814 Cb 1.34 0.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.77 1uw4 h ILE 814 CO 0.14 0.19 1.34 0.59 0.00 0.00 0.00 178.15 180.42 1uw4 n ASN 815 N -4.39 6.98 0.20 1.72 3.02 -0.56 -4.66 115.26 117.58 1uw4 n ASN 815 Ca 0.05 -2.89 0.15 0.00 -0.03 0.00 0.00 54.58 51.86 1uw4 n ASN 815 Cb 0.10 -1.37 0.66 0.00 -0.61 0.00 0.00 39.78 38.56 1uw4 n ASN 815 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1uw4 h ILE 816 N 2.33 0.00 -0.06 2.41 6.09 -1.66 -2.93 117.51 123.70 1uw4 h ILE 816 Ca 0.51 -0.23 0.02 0.00 -1.37 0.00 0.00 64.86 63.78 1uw4 h ILE 816 Cb 0.74 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.05 1uw4 h ILE 816 CO 1.03 0.00 0.14 4.11 -3.07 0.00 0.00 178.15 180.36 1uw4 h TRP 817 N 0.00 0.00 0.00 2.19 5.08 -1.84 -1.36 115.95 120.01 1uw4 h TRP 817 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uw4 h TRP 817 Cb 0.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1uw4 h TRP 817 CO 0.00 0.00 0.00 -0.91 -1.28 0.00 0.00 178.44 176.25 1uw4 h ASN 818 N 0.00 0.00 -3.12 0.11 2.35 -1.89 -3.44 115.58 109.59 1uw4 h ASN 818 Ca 0.03 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.19 1uw4 h ASN 818 Cb 0.31 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1uw4 h ASN 818 CO -0.00 0.00 -0.14 -0.69 -1.65 0.00 0.00 177.43 174.95 1uw4 s VAL 819 N -3.31 4.92 0.17 2.81 1.01 -0.52 -4.88 120.40 120.61 1uw4 s VAL 819 Ca 0.06 0.93 -0.33 0.00 0.00 0.00 0.00 61.98 62.64 1uw4 s VAL 819 Cb 0.09 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 1uw4 s VAL 819 CO 0.54 0.52 1.36 0.29 0.00 0.00 0.00 175.10 177.82 1uw4 n LYS 820 N 1.62 1.64 -0.31 2.72 5.02 -1.26 -4.83 118.16 122.76 1uw4 n LYS 820 Ca -0.12 0.59 0.15 0.00 -2.02 0.00 0.00 58.31 56.91 1uw4 n LYS 820 Cb 0.52 -2.22 0.39 0.00 -0.02 0.00 0.00 35.03 33.69 1uw4 n LYS 820 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1uw4 h TYR 821 N 4.42 0.87 -0.24 2.13 3.20 -1.92 0.16 116.97 125.59 1uw4 h TYR 821 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1uw4 h TYR 821 Cb 1.30 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1uw4 h TYR 821 CO 0.58 0.23 0.00 0.09 -1.64 0.00 0.00 178.16 177.42 1uw4 n ASN 822 N -4.65 1.63 -0.32 -2.11 4.13 -1.26 -3.06 115.26 109.62 1uw4 n ASN 822 Ca 0.21 -1.85 0.06 0.00 1.68 0.00 0.00 54.58 54.68 1uw4 n ASN 822 Cb 0.59 -0.16 0.01 0.00 -1.54 0.00 0.00 39.78 38.69 1uw4 n ASN 822 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1uw4 n SER 823 N 0.34 1.51 -0.35 6.41 7.64 0.51 -4.64 113.62 125.04 1uw4 n SER 823 Ca 0.13 -1.25 0.03 0.00 1.01 0.00 0.00 58.87 58.79 1uw4 n SER 823 Cb 0.29 0.32 0.19 0.00 -1.01 0.00 0.00 64.21 64.00 1uw4 n SER 823 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1uw4 h ILE 824 N 1.57 1.10 -0.11 0.44 2.04 -1.39 -0.78 117.51 120.39 1uw4 h ILE 824 Ca 0.00 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1uw4 h ILE 824 Cb 0.41 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1uw4 h ILE 824 CO 0.00 0.21 0.08 1.12 0.00 0.00 0.00 178.15 179.56 1uw4 h HIS 825 N 1.16 0.01 -0.64 1.37 2.07 -1.82 -1.17 115.15 116.13 1uw4 h HIS 825 Ca 0.41 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.90 1uw4 h HIS 825 Cb 0.14 -0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.09 1uw4 h HIS 825 CO -0.00 0.01 0.28 0.00 -3.07 0.00 0.00 177.93 175.14 1uw4 h VAL 827 N 0.91 1.27 -0.62 0.00 2.07 -1.21 -0.03 116.25 118.64 1uw4 h VAL 827 Ca 0.22 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1uw4 h VAL 827 Cb 0.14 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1uw4 h VAL 827 CO -0.02 0.48 0.40 0.00 0.02 0.00 0.00 177.57 178.44 1uw4 h ALA 828 N 0.95 0.80 -0.33 1.67 0.00 -1.32 -0.93 119.26 120.10 1uw4 h ALA 828 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1uw4 h ALA 828 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1uw4 h ALA 828 CO 0.07 0.16 0.08 -0.97 0.00 0.00 0.00 179.25 178.59 1uw4 h ASN 829 N 0.79 0.50 -0.51 0.00 -1.24 -1.16 -1.47 115.58 112.48 1uw4 h ASN 829 Ca 0.24 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 57.06 1uw4 h ASN 829 Cb -0.02 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 1uw4 h ASN 829 CO -0.08 0.60 0.27 0.25 -1.29 0.00 0.00 177.43 177.18 1uw4 h LEU 830 N 0.37 0.41 -0.65 0.34 5.85 -0.82 -2.23 115.31 118.58 1uw4 h LEU 830 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1uw4 h LEU 830 Cb 0.30 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1uw4 h LEU 830 CO 0.00 0.28 0.25 0.25 -0.34 0.00 0.00 178.44 178.88 1uw4 h LEU 831 N 0.53 0.90 -0.98 2.25 5.85 -1.03 -0.81 115.31 122.02 1uw4 h LEU 831 Ca 0.22 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1uw4 h LEU 831 Cb 0.10 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 1uw4 h LEU 831 CO -0.14 0.83 0.62 0.00 -0.34 0.00 0.00 178.44 179.41 1uw4 h ALA 832 N 1.10 1.41 -0.15 1.25 0.00 -0.70 -1.20 119.26 120.97 1uw4 h ALA 832 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1uw4 h ALA 832 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uw4 h ALA 832 CO -0.02 0.31 -0.69 0.78 0.00 0.00 0.00 179.25 179.64 1uw4 h GLY 833 N 1.06 0.68 1.83 0.00 0.00 -1.00 -3.33 103.07 102.31 1uw4 h GLY 833 Ca 0.45 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1uw4 h GLY 833 CO -0.22 0.81 -0.56 -2.00 0.00 0.00 0.00 176.54 174.57 1uw4 h LEU 834 N 0.44 0.20 -0.33 3.11 5.85 -0.30 -3.14 115.31 121.13 1uw4 h LEU 834 Ca -0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1uw4 h LEU 834 Cb 1.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1uw4 h LEU 834 CO 0.13 0.71 0.00 1.33 -0.34 0.00 0.00 178.44 180.28 1uw4 n VAL 835 N -3.90 0.91 0.02 1.05 0.24 -0.53 -0.80 118.33 115.32 1uw4 n VAL 835 Ca -0.02 0.24 0.04 0.00 -2.04 0.00 0.00 64.34 62.56 1uw4 n VAL 835 Cb 0.58 -1.07 0.44 0.00 -1.47 0.00 0.00 33.84 32.32 1uw4 n VAL 835 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1uw4 h LEU 836 N 0.00 0.43 0.00 1.34 -0.00 -1.72 -3.01 115.31 112.35 1uw4 h LEU 836 Ca 0.00 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.65 1uw4 h LEU 836 Cb 0.31 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 1uw4 h LEU 836 CO 0.00 0.31 -1.89 -1.22 -0.00 0.00 0.00 178.44 175.65 1uw4 n TYR 837 N -4.48 0.00 -3.41 1.13 4.01 -0.49 -4.84 117.16 109.07 1uw4 n TYR 837 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 1uw4 n TYR 837 Cb 0.06 -0.62 -0.10 0.00 -0.31 0.00 0.00 39.34 38.38 1uw4 n TYR 837 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1uw4 n GLN 838 N -2.43 0.42 -0.27 -0.72 1.13 0.02 -5.00 117.38 110.52 1uw4 n GLN 838 Ca -0.19 -3.31 -0.07 0.00 -1.94 0.00 0.00 57.00 51.49 1uw4 n GLN 838 Cb 0.87 -1.68 0.05 0.00 0.11 0.00 0.00 30.24 29.59 1uw4 n GLN 838 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1uw4 h GLU 839 N 5.42 1.15 -0.24 -1.09 4.81 -1.76 -2.59 114.58 120.27 1uw4 h GLU 839 Ca 0.24 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1uw4 h GLU 839 Cb 0.89 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1uw4 h GLU 839 CO 0.42 0.97 0.21 0.38 -0.73 0.00 0.00 179.01 180.26 1uw4 h ASP 840 N 1.10 0.00 -0.44 1.04 2.03 -1.95 -2.33 116.42 115.87 1uw4 h ASP 840 Ca 0.24 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.48 1uw4 h ASP 840 Cb 0.30 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.78 1uw4 h ASP 840 CO -0.01 0.00 0.02 0.58 -1.03 0.00 0.00 179.24 178.80 1uw4 h VAL 841 N 0.00 1.26 -0.43 4.15 2.07 -1.87 -1.56 116.25 119.87 1uw4 h VAL 841 Ca 0.11 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1uw4 h VAL 841 Cb 0.53 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1uw4 h VAL 841 CO -0.00 0.34 0.26 1.23 0.02 0.00 0.00 177.57 179.42 1uw4 h GLY 842 N 0.60 0.62 0.98 2.17 0.00 -1.53 -1.97 103.07 103.93 1uw4 h GLY 842 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1uw4 h GLY 842 CO 0.02 0.25 0.25 -2.22 0.00 0.00 0.00 176.54 174.84 1uw4 h ILE 843 N 0.57 1.17 -0.20 2.60 2.04 -1.40 -1.71 117.51 120.58 1uw4 h ILE 843 Ca 0.15 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 1uw4 h ILE 843 Cb -0.01 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1uw4 h ILE 843 CO -0.03 0.18 -0.38 0.45 0.00 0.00 0.00 178.15 178.37 1uw4 h HIS 844 N 0.61 0.52 -0.23 1.37 3.86 -1.16 -1.23 115.15 118.90 1uw4 h HIS 844 Ca 0.16 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1uw4 h HIS 844 Cb 0.06 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1uw4 h HIS 844 CO -0.02 0.76 -0.04 0.28 0.86 0.00 0.00 177.93 179.77 1uw4 h VAL 845 N 0.37 1.28 -0.09 2.45 2.07 -1.16 -1.85 116.25 119.32 1uw4 h VAL 845 Ca 0.04 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1uw4 h VAL 845 Cb 0.83 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1uw4 h VAL 845 CO 0.07 0.31 0.06 0.58 0.02 0.00 0.00 177.57 178.61 1uw4 h VAL 846 N 0.17 1.03 -0.95 2.57 2.07 -1.12 -0.08 116.25 119.95 1uw4 h VAL 846 Ca 0.06 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1uw4 h VAL 846 Cb 0.49 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1uw4 h VAL 846 CO 0.02 0.03 0.61 0.44 0.02 0.00 0.00 177.57 178.69 1uw4 h ASP 847 N 0.11 0.94 -0.25 0.57 3.32 -1.25 -1.95 116.42 117.91 1uw4 h ASP 847 Ca 0.03 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1uw4 h ASP 847 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1uw4 h ASP 847 CO -0.01 0.59 -0.50 1.23 -1.72 0.00 0.00 179.24 178.83 1uw4 h GLY 848 N 1.06 0.85 1.06 2.75 0.00 -0.89 -1.32 103.07 106.57 1uw4 h GLY 848 Ca 0.42 -1.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1uw4 h GLY 848 CO -0.17 0.91 0.18 -2.08 0.00 0.00 0.00 176.54 175.37 1uw4 h VAL 849 N 0.53 1.26 -0.30 4.60 2.07 -0.77 -1.07 116.25 122.57 1uw4 h VAL 849 Ca 0.01 -0.96 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 1uw4 h VAL 849 Cb 1.11 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1uw4 h VAL 849 CO 0.11 0.37 -0.46 -0.07 0.02 0.00 0.00 177.57 177.54 1uw4 h LEU 850 N 1.05 0.85 -0.73 2.57 3.38 -1.32 -0.76 115.31 120.35 1uw4 h LEU 850 Ca 0.22 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1uw4 h LEU 850 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1uw4 h LEU 850 CO 0.00 1.18 0.42 -0.08 0.09 0.00 0.00 178.44 180.05 1uw4 h GLU 851 N 0.62 1.00 -0.43 1.13 4.57 -1.11 -2.60 114.58 117.76 1uw4 h GLU 851 Ca 0.04 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 1uw4 h GLU 851 Cb 1.03 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1uw4 h GLU 851 CO 0.10 0.73 -0.11 -0.44 -1.18 0.00 0.00 179.01 178.11 1uw4 h ASP 852 N 1.00 0.76 -0.41 1.04 5.19 -0.87 -0.27 116.42 122.86 1uw4 h ASP 852 Ca 0.26 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1uw4 h ASP 852 Cb -0.00 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1uw4 h ASP 852 CO -0.05 0.89 0.18 0.40 -3.12 0.00 0.00 179.24 177.55 1uw4 h ILE 853 N 0.70 1.18 -0.09 0.35 2.04 -1.01 0.13 117.51 120.81 1uw4 h ILE 853 Ca 0.12 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1uw4 h ILE 853 Cb 0.58 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1uw4 h ILE 853 CO 0.04 0.20 0.01 -0.09 0.00 0.00 0.00 178.15 178.31 1uw4 h ARG 854 N 0.52 0.16 -0.84 2.37 9.65 -1.29 -2.91 114.38 122.04 1uw4 h ARG 854 Ca 0.14 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1uw4 h ARG 854 Cb 0.15 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 1uw4 h ARG 854 CO -0.02 0.38 0.55 1.25 2.80 0.00 0.00 179.97 184.93 1uw4 h LEU 855 N -0.09 0.91 -0.64 3.80 5.85 -1.00 -2.00 115.31 122.15 1uw4 h LEU 855 Ca 0.03 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1uw4 h LEU 855 Cb 0.30 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 1uw4 h LEU 855 CO 0.00 0.63 0.13 1.23 -0.34 0.00 0.00 178.44 180.10 1uw4 h GLY 856 N 1.06 0.82 1.98 3.75 0.00 -0.62 0.15 103.07 110.22 1uw4 h GLY 856 Ca 0.33 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1uw4 h GLY 856 CO -0.09 -0.14 -0.45 -0.33 0.00 0.00 0.00 176.54 175.53 1uw4 h MET 857 N 0.25 0.02 -0.17 4.80 2.86 -1.18 0.76 114.93 122.27 1uw4 h MET 857 Ca 0.34 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.79 1uw4 h MET 857 Cb 0.53 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1uw4 h MET 857 CO -0.44 0.47 -0.64 0.93 1.06 0.00 0.00 176.91 178.30 1uw4 h GLU 858 N 0.02 0.60 0.00 1.72 5.08 -0.68 -3.36 114.58 117.96 1uw4 h GLU 858 Ca -0.00 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1uw4 h GLU 858 Cb 0.81 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1uw4 h GLU 858 CO 0.06 1.04 -0.07 0.28 -1.00 0.00 0.00 179.01 179.33 1uw4 h VAL 859 N 0.44 0.33 -6.27 3.13 2.07 -0.70 -3.49 116.25 111.77 1uw4 h VAL 859 Ca -0.01 -1.26 -0.46 0.00 0.82 0.00 0.00 66.70 65.79 1uw4 h VAL 859 Cb 1.21 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1uw4 h VAL 859 CO 0.12 0.11 -0.79 -3.20 0.02 0.00 0.00 177.57 173.83 1uw4 n ASN 860 N -4.73 -3.30 -4.76 0.57 5.15 0.25 -4.99 115.26 103.46 1uw4 n ASN 860 Ca -0.03 -0.82 -0.36 0.00 -0.60 0.00 0.00 54.58 52.77 1uw4 n ASN 860 Cb 0.12 -3.83 -0.07 0.00 -0.53 0.00 0.00 39.78 35.47 1uw4 n ASN 860 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1uw4 s GLN 861 N -6.43 4.10 0.62 1.20 -0.21 -1.26 -5.01 119.66 112.67 1uw4 s GLN 861 Ca 0.42 0.05 0.32 0.00 0.02 0.00 0.00 55.36 56.17 1uw4 s GLN 861 Cb -0.21 -3.37 1.82 0.00 1.00 0.00 0.00 33.01 32.25 1uw4 s GLN 861 CO 0.83 0.37 2.12 -1.35 -2.12 0.00 0.00 175.29 175.15 1uw4 h PRO 862 N 6.23 0.00 0.00 2.91 0.11 -2.01 -1.79 132.00 137.46 1uw4 h PRO 862 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uw4 h PRO 862 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uw4 h PRO 862 CO 0.72 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.08 1uw4 h LYS 863 N 0.00 0.00 -0.57 1.05 2.10 -2.03 -1.68 116.57 115.45 1uw4 h LYS 863 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1uw4 h LYS 863 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1uw4 h LYS 863 CO -0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 1uw4 n PHE 864 N -2.31 0.76 -0.07 0.07 3.72 -0.67 -4.65 117.46 114.31 1uw4 n PHE 864 Ca 0.00 -0.38 -0.08 0.00 -0.05 0.00 0.00 57.45 56.95 1uw4 n PHE 864 Cb 0.14 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 1uw4 n PHE 864 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1uw4 h ASN 865 N 3.90 -0.00 -0.89 4.37 -0.26 -1.46 -1.00 115.58 120.23 1uw4 h ASN 865 Ca 0.00 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1uw4 h ASN 865 Cb 0.88 0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 38.16 1uw4 h ASN 865 CO 0.00 0.03 0.59 -0.61 -1.06 0.00 0.00 177.43 176.38 1uw4 h GLN 866 N 0.14 1.18 -0.37 0.81 -0.00 -1.83 -1.19 115.11 113.85 1uw4 h GLN 866 Ca 0.12 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.55 1uw4 h GLN 866 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 1uw4 h GLN 866 CO -0.17 0.78 -0.36 0.00 0.00 0.00 0.00 178.83 179.08 1uw4 h ARG 867 N 1.21 0.87 -0.37 1.69 3.08 -1.72 -1.62 114.38 117.53 1uw4 h ARG 867 Ca 0.33 -0.44 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1uw4 h ARG 867 Cb -0.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1uw4 h ARG 867 CO -0.07 1.09 -0.41 0.00 -1.07 0.00 0.00 179.97 179.51 1uw4 h ARG 868 N 0.72 0.93 -0.63 0.04 3.08 -0.76 -1.43 114.38 116.34 1uw4 h ARG 868 Ca 0.06 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1uw4 h ARG 868 Cb 0.94 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1uw4 h ARG 868 CO 0.09 1.16 0.32 0.82 -1.07 0.00 0.00 179.97 181.29 1uw4 h ILE 869 N 0.75 1.21 -0.70 2.04 1.08 -1.18 -2.03 117.51 118.68 1uw4 h ILE 869 Ca 0.06 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1uw4 h ILE 869 Cb 1.00 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1uw4 h ILE 869 CO 0.10 0.23 0.46 0.28 -0.69 0.00 0.00 178.15 178.53 1uw4 h SER 870 N 0.85 0.79 -0.68 1.72 0.02 -1.02 -0.99 113.55 114.24 1uw4 h SER 870 Ca 0.22 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1uw4 h SER 870 Cb 0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1uw4 h SER 870 CO -0.03 0.57 0.36 0.28 -1.14 0.00 0.00 176.83 176.87 1uw4 h SER 871 N 0.94 0.87 -0.61 3.07 0.02 -1.01 -0.78 113.55 116.04 1uw4 h SER 871 Ca 0.26 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1uw4 h SER 871 Cb -0.10 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 1uw4 h SER 871 CO -0.06 0.73 0.16 0.00 -1.14 0.00 0.00 176.83 176.52 1uw4 h ALA 872 N 1.17 0.80 -0.67 3.77 0.00 -0.95 -1.60 119.26 121.78 1uw4 h ALA 872 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uw4 h ALA 872 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1uw4 h ALA 872 CO -0.04 0.50 0.35 -0.22 0.00 0.00 0.00 179.25 179.84 1uw4 h LYS 873 N 0.88 0.94 -0.42 0.00 1.63 -0.93 -2.39 116.57 116.29 1uw4 h LYS 873 Ca 0.19 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1uw4 h LYS 873 Cb 0.33 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1uw4 h LYS 873 CO -0.00 0.73 0.21 0.35 -3.45 0.00 0.00 179.45 177.29 1uw4 h PHE 874 N 0.92 0.59 -0.68 1.91 3.57 -0.90 -1.00 116.94 121.35 1uw4 h PHE 874 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1uw4 h PHE 874 Cb 0.07 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1uw4 h PHE 874 CO -0.00 0.47 0.38 1.25 -2.23 0.00 0.00 178.31 178.17 1uw4 h LEU 875 N 0.54 0.55 -0.71 0.59 5.85 -1.10 0.24 115.31 121.27 1uw4 h LEU 875 Ca 0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1uw4 h LEU 875 Cb 0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1uw4 h LEU 875 CO -0.02 0.35 0.42 1.23 -0.34 0.00 0.00 178.44 180.08 1uw4 h GLY 876 N 0.69 1.05 2.00 3.75 0.00 -1.04 -1.63 103.07 107.88 1uw4 h GLY 876 Ca 0.31 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1uw4 h GLY 876 CO -0.19 0.43 -0.60 0.83 0.00 0.00 0.00 176.54 177.01 1uw4 h GLU 877 N 0.98 0.00 -0.51 4.80 4.39 -0.39 -1.92 114.58 121.93 1uw4 h GLU 877 Ca 0.25 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1uw4 h GLU 877 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1uw4 h GLU 877 CO -0.05 0.60 0.17 -0.07 -1.16 0.00 0.00 179.01 178.51 1uw4 h LEU 878 N 0.00 0.69 -0.15 1.33 3.38 -0.11 -1.49 115.31 118.96 1uw4 h LEU 878 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1uw4 h LEU 878 Cb 1.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1uw4 h LEU 878 CO 0.08 0.65 0.04 0.22 0.09 0.00 0.00 178.44 179.51 1uw4 h TYR 879 N 0.73 0.25 -0.04 1.13 3.20 -0.89 -0.81 116.97 120.55 1uw4 h TYR 879 Ca 0.17 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1uw4 h TYR 879 Cb 0.20 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1uw4 h TYR 879 CO 0.01 0.39 0.03 -0.91 -1.64 0.00 0.00 178.16 176.04 1uw4 h ASN 880 N 0.04 0.00 -0.47 -2.11 2.35 -0.65 -0.19 115.58 114.56 1uw4 h ASN 880 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1uw4 h ASN 880 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1uw4 h ASN 880 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 1uw4 n TYR 881 N -4.45 1.61 -1.49 1.19 4.02 -0.63 -4.97 117.16 112.44 1uw4 n TYR 881 Ca -0.02 -0.77 -0.12 0.00 -0.01 0.00 0.00 57.90 56.98 1uw4 n TYR 881 Cb 0.13 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 38.99 1uw4 n TYR 881 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1uw4 n ARG 882 N 0.27 -0.88 0.12 -0.72 1.74 -0.08 -4.84 116.66 112.27 1uw4 n ARG 882 Ca 0.25 0.89 -0.00 0.00 -0.77 0.00 0.00 57.85 58.22 1uw4 n ARG 882 Cb 1.05 -4.94 0.05 0.00 -1.02 0.00 0.00 32.46 27.60 1uw4 n ARG 882 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1uw4 h MET 883 N 0.00 0.00 -4.82 5.56 2.86 -1.36 -3.46 114.93 113.71 1uw4 h MET 883 Ca -0.26 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.10 1uw4 h MET 883 Cb 0.87 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.36 1uw4 h MET 883 CO 0.37 0.64 -0.72 0.14 1.06 0.00 0.00 176.91 178.40 1uw4 s VAL 884 N -3.04 0.84 0.70 -2.22 -7.23 -1.17 -4.98 120.40 103.29 1uw4 s VAL 884 Ca 0.02 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1uw4 s VAL 884 Cb 0.09 -1.44 0.08 0.00 0.56 0.00 0.00 36.38 35.67 1uw4 s VAL 884 CO 0.76 -0.67 1.00 -1.61 -0.31 0.00 0.00 175.10 174.27 1uw4 s GLU 885 N -3.11 2.06 0.35 4.82 2.02 -1.26 -4.46 118.70 119.12 1uw4 s GLU 885 Ca 0.07 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1uw4 s GLU 885 Cb -0.00 -2.21 0.66 0.00 0.10 0.00 0.00 34.13 32.67 1uw4 s GLU 885 CO -0.01 -1.28 1.97 0.66 0.02 0.00 0.00 175.26 176.62 1uw4 h SER 886 N -0.58 0.74 -0.75 -0.19 4.64 -2.01 -2.51 113.55 112.89 1uw4 h SER 886 Ca -0.43 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1uw4 h SER 886 Cb 1.30 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1uw4 h SER 886 CO 0.55 0.50 0.49 0.00 -0.87 0.00 0.00 176.83 177.50 1uw4 h ALA 887 N 1.59 1.73 -0.67 5.18 0.00 -1.99 -0.85 119.26 124.24 1uw4 h ALA 887 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1uw4 h ALA 887 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1uw4 h ALA 887 CO -0.09 0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.85 1uw4 h VAL 888 N 0.74 1.24 -0.28 0.00 2.07 -1.83 -0.65 116.25 117.53 1uw4 h VAL 888 Ca 0.33 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1uw4 h VAL 888 Cb 0.34 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1uw4 h VAL 888 CO -0.12 0.30 0.09 0.40 0.02 0.00 0.00 177.57 178.26 1uw4 h ILE 889 N 0.95 1.20 -0.27 4.57 1.08 -1.30 -2.39 117.51 121.35 1uw4 h ILE 889 Ca 0.22 -0.63 -0.15 0.00 -0.39 0.00 0.00 64.86 63.92 1uw4 h ILE 889 Cb 0.20 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1uw4 h ILE 889 CO -0.02 0.21 -0.43 -0.26 -0.69 0.00 0.00 178.15 176.96 1uw4 h PHE 890 N 0.29 0.82 -0.75 1.37 0.04 -1.04 -0.35 116.94 117.32 1uw4 h PHE 890 Ca 0.09 -0.25 0.10 0.00 2.80 0.00 0.00 57.97 60.71 1uw4 h PHE 890 Cb 0.23 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.14 1uw4 h PHE 890 CO 0.00 0.99 0.39 0.00 -0.60 0.00 0.00 178.31 179.09 1uw4 h ARG 891 N 0.55 0.63 -0.13 1.51 3.08 -1.11 -1.53 114.38 117.37 1uw4 h ARG 891 Ca 0.04 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1uw4 h ARG 891 Cb 0.97 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.89 1uw4 h ARG 891 CO 0.09 0.42 -0.48 1.15 -1.07 0.00 0.00 179.97 180.08 1uw4 h THR 892 N 0.65 1.35 -0.62 2.04 2.02 -1.03 -2.25 112.91 115.07 1uw4 h THR 892 Ca 0.37 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 65.82 1uw4 h THR 892 Cb 0.39 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1uw4 h THR 892 CO -0.27 0.54 0.37 -0.07 0.37 0.00 0.00 175.52 176.46 1uw4 h LEU 893 N 0.19 0.59 -0.91 2.58 3.38 -0.82 -1.95 115.31 118.37 1uw4 h LEU 893 Ca -0.02 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1uw4 h LEU 893 Cb 1.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1uw4 h LEU 893 CO 0.10 0.41 -0.16 1.88 0.09 0.00 0.00 178.44 180.76 1uw4 h TYR 894 N 0.72 0.68 -0.45 1.13 0.05 -1.31 -2.45 116.97 115.35 1uw4 h TYR 894 Ca 0.26 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1uw4 h TYR 894 Cb 0.06 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1uw4 h TYR 894 CO -0.06 0.75 0.28 0.66 -1.05 0.00 0.00 178.16 178.73 1uw4 h SER 895 N 0.56 0.52 -0.52 3.88 4.64 -0.74 -0.55 113.55 121.34 1uw4 h SER 895 Ca 0.09 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1uw4 h SER 895 Cb 0.60 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1uw4 h SER 895 CO 0.04 0.40 0.02 -0.26 -0.87 0.00 0.00 176.83 176.16 1uw4 h PHE 896 N 0.61 1.03 -0.01 4.77 0.04 -0.93 -0.33 116.94 122.12 1uw4 h PHE 896 Ca 0.16 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1uw4 h PHE 896 Cb -0.04 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.84 1uw4 h PHE 896 CO 0.00 0.91 -0.31 0.25 -0.60 0.00 0.00 178.31 178.56 1uw4 n THR 897 N -4.20 0.00 0.00 -1.55 -2.24 -0.87 -4.57 114.28 100.85 1uw4 n THR 897 Ca 0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1uw4 n THR 897 Cb 0.32 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1uw4 n THR 897 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uw4 n SER 898 N -0.75 3.44 -4.66 3.42 7.64 -0.27 -4.87 113.62 117.57 1uw4 n SER 898 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1uw4 n SER 898 Cb 0.35 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1uw4 n SER 898 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1uw4 s PHE 899 N -1.77 2.27 -0.45 1.43 5.36 -0.15 -1.92 117.98 122.76 1uw4 s PHE 899 Ca 0.00 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1uw4 s PHE 899 Cb 0.00 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 1uw4 s PHE 899 CO 0.00 -3.19 0.00 0.41 -1.46 0.00 0.00 175.22 170.98 1uw4 n GLY 900 N 3.96 0.58 3.69 13.12 0.00 -1.26 -4.92 105.19 120.35 1uw4 n GLY 900 Ca 0.16 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1uw4 n GLY 900 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uw4 s VAL 901 N -1.74 5.07 0.28 1.61 1.01 -0.81 -4.34 120.40 121.48 1uw4 s VAL 901 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1uw4 s VAL 901 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1uw4 s VAL 901 CO 0.00 0.47 1.12 0.20 0.00 0.00 0.00 175.10 176.89 1uw4 s ASN 902 N 0.25 7.22 0.00 3.32 0.01 -1.26 -4.93 114.94 119.55 1uw4 s ASN 902 Ca 0.06 2.30 0.23 0.00 -0.71 0.00 0.00 52.86 54.74 1uw4 s ASN 902 Cb -0.12 -2.63 1.30 0.00 0.41 0.00 0.00 41.25 40.22 1uw4 s ASN 902 CO -0.01 -0.19 1.75 -0.81 -1.51 0.00 0.00 177.10 176.33 1uw4 n PRO 903 N 1.25 0.59 -0.22 -0.60 -0.04 -1.26 -1.91 135.00 132.82 1uw4 n PRO 903 Ca -0.01 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1uw4 n PRO 903 Cb 0.44 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.61 1uw4 n PRO 903 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1uw4 n ASP 904 N -1.09 3.28 0.00 3.54 5.75 -1.26 -4.98 116.55 121.79 1uw4 n ASP 904 Ca 0.15 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1uw4 n ASP 904 Cb 0.11 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1uw4 n ASP 904 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uw4 n GLY 905 N 1.14 0.44 3.79 6.12 0.00 -0.80 -5.03 105.19 110.85 1uw4 n GLY 905 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1uw4 n GLY 905 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uw4 s SER 906 N -2.22 5.86 0.75 1.61 1.04 -1.26 -4.79 113.70 114.69 1uw4 s SER 906 Ca 0.00 1.97 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 1uw4 s SER 906 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1uw4 s SER 906 CO 0.00 -1.12 1.18 -2.16 0.98 0.00 0.00 173.24 172.12 1uw4 s PRO 907 N -3.61 2.06 0.31 4.02 0.04 -1.26 -4.21 135.00 132.35 1uw4 s PRO 907 Ca 0.67 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1uw4 s PRO 907 Cb -0.19 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1uw4 s PRO 907 CO 0.30 -1.87 0.26 -1.54 0.04 0.00 0.00 177.00 174.19 1uw4 s SER 908 N -2.25 1.43 0.12 6.66 1.04 -1.02 -4.91 113.70 114.77 1uw4 s SER 908 Ca 0.72 -1.70 -0.20 0.00 0.48 0.00 0.00 55.95 55.25 1uw4 s SER 908 Cb -0.27 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1uw4 s SER 908 CO 0.47 -1.03 1.74 -1.28 0.98 0.00 0.00 173.24 174.12 1uw4 h SER 909 N 2.21 0.05 1.26 7.02 0.87 -1.97 -2.85 113.55 120.14 1uw4 h SER 909 Ca -0.27 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1uw4 h SER 909 Cb 1.23 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1uw4 h SER 909 CO 0.39 0.05 -0.39 -0.07 -0.53 0.00 0.00 176.83 176.29 1uw4 h LEU 910 N 0.14 0.00 -6.14 2.23 3.38 -1.92 -3.39 115.31 109.61 1uw4 h LEU 910 Ca 0.08 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1uw4 h LEU 910 Cb 0.06 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.41 1uw4 h LEU 910 CO -0.09 0.04 -0.87 -0.67 0.09 0.00 0.00 178.44 176.94 1uw4 n ASP 911 N -2.41 1.73 -4.77 -0.43 2.03 -1.14 -5.03 116.55 106.54 1uw4 n ASP 911 Ca 0.04 -3.01 -0.30 0.00 0.52 0.00 0.00 54.79 52.04 1uw4 n ASP 911 Cb 0.47 -0.65 0.10 0.00 -0.72 0.00 0.00 41.12 40.32 1uw4 n ASP 911 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1uw4 s PRO 912 N -1.66 1.95 0.18 -0.67 0.04 -1.09 -2.42 135.00 131.33 1uw4 s PRO 912 Ca 0.36 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 1uw4 s PRO 912 Cb 0.15 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.96 1uw4 s PRO 912 CO -0.08 -1.78 1.67 -1.35 0.04 0.00 0.00 177.00 175.51 1uw4 h PRO 913 N -1.21 0.06 -0.15 0.56 0.11 -1.97 -2.20 132.00 127.20 1uw4 h PRO 913 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uw4 h PRO 913 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1uw4 h PRO 913 CO 0.55 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 1uw4 n GLU 914 N -5.27 1.61 -2.79 1.05 1.02 -1.26 -4.74 120.64 110.25 1uw4 n GLU 914 Ca 0.04 -0.92 -0.43 0.00 -0.02 0.00 0.00 57.16 55.84 1uw4 n GLU 914 Cb 0.25 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1uw4 n GLU 914 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1uw4 s HIS 915 N -1.80 2.87 -0.63 -0.32 2.46 -0.83 -4.87 115.29 112.17 1uw4 s HIS 915 Ca 0.30 0.34 0.08 0.00 0.47 0.00 0.00 55.06 56.25 1uw4 s HIS 915 Cb 0.16 -4.06 0.24 0.00 -0.13 0.00 0.00 32.58 28.79 1uw4 s HIS 915 CO 0.24 -1.19 1.20 1.28 -2.47 0.00 0.00 174.74 173.80 1uw4 n LEU 916 N 7.34 2.74 0.22 8.88 4.77 -1.26 -4.77 117.00 134.91 1uw4 n LEU 916 Ca 0.06 -2.08 0.06 0.00 -0.03 0.00 0.00 56.01 54.01 1uw4 n LEU 916 Cb 0.48 -0.20 0.48 0.00 -2.33 0.00 0.00 43.42 41.86 1uw4 n LEU 916 CO 0.65 0.67 0.83 0.15 -1.33 0.00 0.00 177.39 178.36 1uw4 h PHE 917 N 1.45 0.00 -0.93 -1.77 3.57 -1.98 -1.88 116.94 115.40 1uw4 h PHE 917 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1uw4 h PHE 917 Cb 0.72 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1uw4 h PHE 917 CO 0.18 0.26 0.59 0.00 -2.23 0.00 0.00 178.31 177.11 1uw4 h ARG 918 N 0.00 0.80 -0.41 1.11 2.47 -1.89 -0.83 114.38 115.63 1uw4 h ARG 918 Ca -0.00 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1uw4 h ARG 918 Cb 0.49 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1uw4 h ARG 918 CO 0.03 0.53 0.18 0.82 0.56 0.00 0.00 179.97 182.09 1uw4 h ILE 919 N 0.83 1.19 -0.55 2.04 2.04 -1.70 -1.45 117.51 119.91 1uw4 h ILE 919 Ca 0.46 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1uw4 h ILE 919 Cb 0.59 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1uw4 h ILE 919 CO -0.22 0.21 0.31 0.03 0.00 0.00 0.00 178.15 178.47 1uw4 h ARG 920 N 0.52 0.77 -0.16 2.37 3.08 -1.35 -1.49 114.38 118.12 1uw4 h ARG 920 Ca 0.14 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1uw4 h ARG 920 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1uw4 h ARG 920 CO -0.01 0.59 0.08 -0.07 -1.07 0.00 0.00 179.97 179.48 1uw4 h LEU 921 N 0.74 0.11 -0.21 3.04 3.38 -1.03 -0.40 115.31 120.94 1uw4 h LEU 921 Ca 0.19 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1uw4 h LEU 921 Cb 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1uw4 h LEU 921 CO -0.03 0.09 -0.00 0.58 0.09 0.00 0.00 178.44 179.17 1uw4 h VAL 922 N 0.17 0.85 -0.07 1.22 2.07 -1.18 -2.37 116.25 116.94 1uw4 h VAL 922 Ca 0.06 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1uw4 h VAL 922 Cb 0.01 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1uw4 h VAL 922 CO -0.05 0.01 -0.35 0.00 0.02 0.00 0.00 177.57 177.20 1uw4 h THR 924 N 0.13 1.07 -0.47 0.00 2.02 -0.84 -0.90 112.91 113.92 1uw4 h THR 924 Ca 0.01 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1uw4 h THR 924 Cb 0.69 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1uw4 h THR 924 CO 0.05 0.06 -0.01 0.40 0.37 0.00 0.00 175.52 176.39 1uw4 h ILE 925 N -0.00 1.26 -0.68 3.11 2.04 -1.09 -2.71 117.51 119.44 1uw4 h ILE 925 Ca 0.02 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1uw4 h ILE 925 Cb 0.07 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1uw4 h ILE 925 CO -0.00 0.38 0.19 -0.07 0.00 0.00 0.00 178.15 178.65 1uw4 h LEU 926 N 0.69 0.99 -1.49 1.44 3.38 -1.13 -1.62 115.31 117.57 1uw4 h LEU 926 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1uw4 h LEU 926 Cb 0.53 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1uw4 h LEU 926 CO 0.03 0.93 -0.12 0.44 0.09 0.00 0.00 178.44 179.80 1uw4 h ASP 927 N 1.01 0.00 0.06 -0.43 3.32 -1.08 -0.87 116.42 118.43 1uw4 h ASP 927 Ca 0.22 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 1uw4 h ASP 927 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1uw4 h ASP 927 CO -0.00 0.12 -1.36 0.74 -1.72 0.00 0.00 179.24 177.02 1uw4 h THR 928 N 0.00 0.95 0.00 0.35 2.02 -1.09 -3.45 112.91 111.70 1uw4 h THR 928 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1uw4 h THR 928 Cb 0.55 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1uw4 h THR 928 CO 0.02 0.56 0.00 0.00 0.37 0.00 0.00 175.52 176.47 1uw4 h GLY 930 N 0.00 0.00 2.00 0.00 0.00 -1.19 -2.12 103.07 101.76 1uw4 h GLY 930 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uw4 h GLY 930 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.00 1uw4 h GLN 931 N 0.00 0.00 -0.08 4.80 4.20 -1.88 -2.20 115.11 119.95 1uw4 h GLN 931 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1uw4 h GLN 931 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1uw4 h GLN 931 CO -0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 1uw4 n TYR 932 N -2.52 0.08 -1.92 2.96 4.02 -0.80 -4.35 117.16 114.63 1uw4 n TYR 932 Ca -0.00 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.90 57.46 1uw4 n TYR 932 Cb 0.14 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.50 1uw4 n TYR 932 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1uw4 n PHE 933 N 0.43 3.02 0.42 -0.72 3.72 -0.83 -4.59 117.46 118.92 1uw4 n PHE 933 Ca 0.18 -2.42 0.05 0.00 -0.05 0.00 0.00 57.45 55.21 1uw4 n PHE 933 Cb 0.39 -1.13 0.05 0.00 -0.94 0.00 0.00 39.48 37.86 1uw4 n PHE 933 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1uw4 n ASP 934 N -0.56 1.96 -4.15 4.37 5.75 -1.26 -3.54 116.55 119.11 1uw4 n ASP 934 Ca 0.53 -1.48 -0.15 0.00 -0.01 0.00 0.00 54.79 53.69 1uw4 n ASP 934 Cb 0.29 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.26 1uw4 n ASP 934 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1uw4 s ARG 935 N -0.91 0.78 5.74 0.11 0.52 -1.26 -4.82 118.95 119.11 1uw4 s ARG 935 Ca 0.13 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1uw4 s ARG 935 Cb 0.09 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1uw4 s ARG 935 CO 0.14 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1uw4 n GLY 936 N 0.87 3.00 0.21 -3.53 0.00 -1.26 -2.29 105.19 102.19 1uw4 n GLY 936 Ca -0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1uw4 n GLY 936 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uw4 h SER 937 N 5.89 0.45 0.74 1.61 4.64 -1.99 -2.45 113.55 122.43 1uw4 h SER 937 Ca 0.00 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1uw4 h SER 937 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1uw4 h SER 937 CO 0.00 0.84 -0.39 0.77 -0.87 0.00 0.00 176.83 177.18 1uw4 h SER 938 N 0.34 0.00 -0.04 4.97 4.64 -1.90 -2.13 113.55 119.43 1uw4 h SER 938 Ca 0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1uw4 h SER 938 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1uw4 h SER 938 CO 0.08 0.39 -0.05 0.50 -0.87 0.00 0.00 176.83 176.88 1uw4 h LYS 939 N 0.00 -0.06 -0.67 4.77 3.64 -1.01 -1.56 116.57 121.67 1uw4 h LYS 939 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1uw4 h LYS 939 Cb 0.87 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1uw4 h LYS 939 CO 0.05 -0.04 0.14 -0.09 -2.27 0.00 0.00 179.45 177.24 1uw4 h ARG 940 N -0.07 1.09 -0.73 1.90 2.43 -1.44 -1.76 114.38 115.79 1uw4 h ARG 940 Ca 0.03 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1uw4 h ARG 940 Cb 0.11 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1uw4 h ARG 940 CO -0.08 0.97 0.42 0.87 -1.51 0.00 0.00 179.97 180.64 1uw4 h LYS 941 N 1.03 1.01 -0.35 0.20 1.57 -1.14 -1.53 116.57 117.36 1uw4 h LYS 941 Ca 0.21 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1uw4 h LYS 941 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1uw4 h LYS 941 CO 0.01 0.74 -0.01 1.25 -0.57 0.00 0.00 179.45 180.87 1uw4 h LEU 942 N 1.01 0.62 -0.53 2.94 5.85 -1.13 -1.30 115.31 122.76 1uw4 h LEU 942 Ca 0.26 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1uw4 h LEU 942 Cb 0.01 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1uw4 h LEU 942 CO -0.04 0.79 0.24 0.44 -0.34 0.00 0.00 178.44 179.53 1uw4 h ASP 943 N 0.44 0.32 -0.16 1.25 3.32 -1.06 0.70 116.42 121.23 1uw4 h ASP 943 Ca 0.10 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1uw4 h ASP 943 Cb 0.47 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1uw4 h ASP 943 CO 0.02 0.22 0.04 0.00 -1.72 0.00 0.00 179.24 177.79 1uw4 h PHE 945 N 0.06 0.45 0.00 0.00 3.57 -0.71 -1.89 116.94 118.43 1uw4 h PHE 945 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1uw4 h PHE 945 Cb 0.27 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1uw4 h PHE 945 CO 0.01 0.07 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.80 1uw4 h LEU 946 N 0.43 0.00 -0.06 0.59 3.38 -0.69 0.43 115.31 119.39 1uw4 h LEU 946 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1uw4 h LEU 946 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1uw4 h LEU 946 CO -0.37 0.29 0.04 0.58 0.09 0.00 0.00 178.44 179.07 1uw4 h VAL 947 N 0.00 1.03 -0.36 1.22 2.07 -0.93 -1.27 116.25 118.02 1uw4 h VAL 947 Ca -0.00 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1uw4 h VAL 947 Cb 0.53 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1uw4 h VAL 947 CO 0.04 0.03 -0.14 1.88 0.02 0.00 0.00 177.57 179.40 1uw4 h TYR 948 N 0.05 0.72 -0.78 1.57 0.05 -1.16 -2.94 116.97 114.48 1uw4 h TYR 948 Ca 0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 1uw4 h TYR 948 Cb 0.02 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 1uw4 h TYR 948 CO -0.07 0.76 0.42 0.35 -1.05 0.00 0.00 178.16 178.58 1uw4 h PHE 949 N 0.59 1.07 -0.33 4.88 3.57 -0.75 -1.61 116.94 124.35 1uw4 h PHE 949 Ca 0.10 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1uw4 h PHE 949 Cb 0.58 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1uw4 h PHE 949 CO 0.03 0.75 -0.19 1.96 -2.23 0.00 0.00 178.31 178.63 1uw4 h GLN 950 N 1.07 0.62 -0.48 1.11 4.20 -1.09 -0.98 115.11 119.57 1uw4 h GLN 950 Ca 0.27 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1uw4 h GLN 950 Cb 0.04 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1uw4 h GLN 950 CO -0.04 0.77 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.72 1uw4 h ARG 951 N 0.55 0.91 -0.46 1.46 2.43 -1.36 -2.25 114.38 115.66 1uw4 h ARG 951 Ca 0.09 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1uw4 h ARG 951 Cb 0.63 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1uw4 h ARG 951 CO 0.04 0.98 0.25 -0.92 -1.51 0.00 0.00 179.97 178.82 1uw4 h TYR 952 N 0.76 0.47 -0.61 2.20 3.20 -0.79 -0.10 116.97 122.10 1uw4 h TYR 952 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1uw4 h TYR 952 Cb 0.63 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1uw4 h TYR 952 CO 0.05 0.25 0.38 0.28 -1.64 0.00 0.00 178.16 177.48 1uw4 h VAL 953 N 0.50 1.10 -0.02 1.81 2.07 -1.13 -2.13 116.25 118.45 1uw4 h VAL 953 Ca 0.19 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1uw4 h VAL 953 Cb 0.07 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1uw4 h VAL 953 CO -0.12 0.14 -0.57 -0.50 0.02 0.00 0.00 177.57 176.55 1uw4 h TRP 954 N 0.77 0.08 -0.35 1.57 4.06 -0.95 -0.45 115.95 120.68 1uw4 h TRP 954 Ca 0.24 -0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.20 1uw4 h TRP 954 Cb -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.08 1uw4 h TRP 954 CO -0.05 0.62 0.10 -1.49 -3.56 0.00 0.00 178.44 174.06 1uw4 h TRP 955 N 0.05 0.17 -0.67 0.49 6.55 -0.63 -1.78 115.95 120.14 1uw4 h TRP 955 Ca -0.00 0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.81 1uw4 h TRP 955 Cb 1.02 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 29.27 1uw4 h TRP 955 CO 0.01 0.05 0.23 0.87 -1.05 0.00 0.00 178.44 178.55 1uw4 h LYS 956 N 0.23 1.02 0.00 0.49 1.79 -0.97 -2.97 116.57 116.16 1uw4 h LYS 956 Ca 0.16 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1uw4 h LYS 956 Cb 0.16 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1uw4 h LYS 956 CO -0.19 0.88 -0.09 0.87 -1.08 0.00 0.00 179.45 179.84 1uw4 h LYS 957 N 0.96 0.00 -0.01 3.15 1.57 -0.94 -3.09 116.57 118.20 1uw4 h LYS 957 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1uw4 h LYS 957 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1uw4 h LYS 957 CO -0.01 0.09 -0.13 0.43 -0.57 0.00 0.00 179.45 179.26 1uw4 n SER 958 N -3.29 1.41 -4.75 0.86 7.64 -0.68 -4.90 113.62 109.91 1uw4 n SER 958 Ca -0.00 -1.27 -0.37 0.00 1.01 0.00 0.00 58.87 58.24 1uw4 n SER 958 Cb 0.31 0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1uw4 n SER 958 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uw4 s LEU 959 N -2.24 3.75 0.51 -3.43 1.43 -1.17 -4.92 118.68 112.61 1uw4 s LEU 959 Ca 0.31 2.48 0.30 0.00 -1.03 0.00 0.00 54.13 56.19 1uw4 s LEU 959 Cb 0.20 -4.48 1.20 0.00 0.03 0.00 0.00 46.19 43.14 1uw4 s LEU 959 CO 0.42 -1.53 1.93 1.05 0.23 0.00 0.00 176.35 178.45 1uw4 h GLU 960 N 1.14 0.00 -0.51 1.70 4.11 -1.92 -2.73 114.58 116.36 1uw4 h GLU 960 Ca -0.50 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.07 1uw4 h GLU 960 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1uw4 h GLU 960 CO 0.56 0.08 0.37 -0.24 0.07 0.00 0.00 179.01 179.85 1uw4 h VAL 961 N 0.00 0.75 -3.29 -1.06 3.04 -1.96 -3.41 116.25 110.33 1uw4 h VAL 961 Ca -0.00 -0.01 -0.58 0.00 -1.01 0.00 0.00 66.70 65.10 1uw4 h VAL 961 Cb 0.60 0.73 -0.07 0.00 -2.01 0.00 0.00 31.29 30.54 1uw4 h VAL 961 CO 0.01 0.00 0.42 0.26 -1.01 0.00 0.00 177.57 177.26 1uw4 s TRP 962 N -5.03 3.40 0.29 3.17 0.52 -1.03 -4.80 118.94 115.46 1uw4 s TRP 962 Ca -0.05 1.26 0.03 0.00 0.02 0.00 0.00 56.10 57.35 1uw4 s TRP 962 Cb 0.20 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 1uw4 s TRP 962 CO 0.73 -0.27 0.28 0.95 0.02 0.00 0.00 176.95 178.66 1uw4 s THR 963 N 2.29 0.00 0.31 2.01 -4.23 -0.52 -4.95 115.64 110.55 1uw4 s THR 963 Ca 0.38 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1uw4 s THR 963 Cb -0.16 -2.51 0.25 0.00 1.34 0.00 0.00 72.50 71.42 1uw4 s THR 963 CO 0.11 0.00 1.97 0.11 -0.54 0.00 0.00 174.62 176.27 1uw4 h LYS 964 N 2.27 1.00 0.00 3.99 1.57 -1.99 -1.95 116.57 121.46 1uw4 h LYS 964 Ca -0.29 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1uw4 h LYS 964 Cb 1.24 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1uw4 h LYS 964 CO 0.41 0.68 -0.27 -0.44 -0.57 0.00 0.00 179.45 179.26 1uw4 h ASP 965 N 1.02 0.00 -2.07 0.86 3.32 -1.97 -3.39 116.42 114.19 1uw4 h ASP 965 Ca 0.27 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.75 1uw4 h ASP 965 Cb -0.09 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.07 1uw4 h ASP 965 CO -0.06 0.27 -1.00 1.57 -1.72 0.00 0.00 179.24 178.31 1uw4 n HIS 966 N -3.21 0.40 -2.36 4.55 -0.00 -0.79 -5.13 115.22 108.68 1uw4 n HIS 966 Ca 0.02 -3.67 -0.33 0.00 0.46 0.00 0.00 57.72 54.21 1uw4 n HIS 966 Cb 0.59 -0.36 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 1uw4 n HIS 966 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1uw4 s PRO 967 N -1.36 3.77 0.10 1.57 0.04 -0.84 -1.43 135.00 136.85 1uw4 s PRO 967 Ca 0.36 1.10 -0.36 0.00 0.04 0.00 0.00 61.00 62.14 1uw4 s PRO 967 Cb 0.16 -2.10 -0.16 0.00 0.04 0.00 0.00 34.50 32.43 1uw4 s PRO 967 CO -0.10 -0.43 1.37 0.34 0.04 0.00 0.00 177.00 178.23 1uw4 n PHE 968 N -1.53 1.62 -1.93 0.56 7.35 -1.26 -4.86 117.46 117.42 1uw4 n PHE 968 Ca 0.08 0.59 -0.42 0.00 -0.76 0.00 0.00 57.45 56.93 1uw4 n PHE 968 Cb 0.53 -2.36 -0.03 0.00 0.35 0.00 0.00 39.48 37.98 1uw4 n PHE 968 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1uw4 s PRO 969 N 0.51 4.18 0.52 -7.13 0.04 -1.26 -4.89 135.00 126.98 1uw4 s PRO 969 Ca 0.83 2.30 0.25 0.00 0.04 0.00 0.00 61.00 64.42 1uw4 s PRO 969 Cb -0.91 -3.92 1.43 0.00 0.04 0.00 0.00 34.50 31.14 1uw4 s PRO 969 CO 0.46 -0.84 2.10 0.97 0.04 0.00 0.00 177.00 179.73 1uw4 h ILE 970 N 5.39 0.70 -0.01 0.56 2.10 -2.00 -2.17 117.51 122.07 1uw4 h ILE 970 Ca -0.42 -0.42 -0.06 0.00 1.08 0.00 0.00 64.86 65.04 1uw4 h ILE 970 Cb 1.20 1.25 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1uw4 h ILE 970 CO 0.94 0.10 -0.28 0.44 -1.08 0.00 0.00 178.15 178.27 1uw4 h ASP 971 N 0.00 0.02 -0.17 2.19 3.32 -1.99 -1.27 116.42 118.52 1uw4 h ASP 971 Ca -0.00 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 1uw4 h ASP 971 Cb 0.25 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1uw4 h ASP 971 CO 0.01 0.31 -0.75 0.40 -1.72 0.00 0.00 179.24 177.49 1uw4 h ILE 972 N 0.02 1.27 -0.49 0.35 1.08 -1.79 -1.69 117.51 116.27 1uw4 h ILE 972 Ca 0.00 -1.94 0.06 0.00 -0.39 0.00 0.00 64.86 62.59 1uw4 h ILE 972 Cb 0.51 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 36.14 1uw4 h ILE 972 CO 0.04 0.62 0.20 0.44 -0.69 0.00 0.00 178.15 178.76 1uw4 h ASP 973 N 0.56 0.24 -0.23 1.72 3.32 -1.35 -1.14 116.42 119.55 1uw4 h ASP 973 Ca -0.04 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1uw4 h ASP 973 Cb 1.38 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1uw4 h ASP 973 CO 0.16 0.17 -0.21 1.88 -1.72 0.00 0.00 179.24 179.52 1uw4 h TYR 974 N 0.40 0.77 -0.08 4.55 0.05 -1.21 -1.16 116.97 120.28 1uw4 h TYR 974 Ca 0.23 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1uw4 h TYR 974 Cb 0.21 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1uw4 h TYR 974 CO -0.14 0.84 0.05 1.98 -1.05 0.00 0.00 178.16 179.84 1uw4 h MET 975 N 0.61 0.11 0.35 4.88 4.05 -0.94 0.12 114.93 124.11 1uw4 h MET 975 Ca 0.09 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1uw4 h MET 975 Cb 0.68 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1uw4 h MET 975 CO 0.05 0.09 -0.23 0.82 0.23 0.00 0.00 176.91 177.87 1uw4 h ILE 976 N 0.10 0.52 -0.78 1.77 2.04 -1.05 -2.16 117.51 117.95 1uw4 h ILE 976 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1uw4 h ILE 976 Cb 0.00 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1uw4 h ILE 976 CO -0.01 0.00 0.47 0.77 0.00 0.00 0.00 178.15 179.38 1uw4 h SER 977 N -0.56 0.94 -0.72 1.72 4.64 -1.05 -1.35 113.55 117.17 1uw4 h SER 977 Ca -0.03 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1uw4 h SER 977 Cb 0.47 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1uw4 h SER 977 CO 0.03 0.73 0.26 0.44 -0.87 0.00 0.00 176.83 177.42 1uw4 h ASP 978 N 1.07 1.02 -0.12 4.97 3.32 -0.75 -1.19 116.42 124.74 1uw4 h ASP 978 Ca 0.28 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1uw4 h ASP 978 Cb -0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1uw4 h ASP 978 CO -0.05 0.94 -0.05 0.74 -1.72 0.00 0.00 179.24 179.09 1uw4 h THR 979 N 1.05 1.31 -0.38 0.35 2.02 -1.08 -2.72 112.91 113.46 1uw4 h THR 979 Ca 0.24 -1.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 1uw4 h THR 979 Cb 0.25 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1uw4 h THR 979 CO -0.01 0.31 -0.29 -0.07 0.37 0.00 0.00 175.52 175.83 1uw4 h LEU 980 N -0.08 0.85 -0.87 2.58 4.07 -1.18 -2.79 115.31 117.88 1uw4 h LEU 980 Ca 0.03 -0.34 -0.10 0.00 0.08 0.00 0.00 57.88 57.55 1uw4 h LEU 980 Cb 0.51 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1uw4 h LEU 980 CO 0.02 1.08 -0.49 -0.33 -1.08 0.00 0.00 178.44 177.64 1uw4 h GLU 981 N 0.70 0.00 -0.42 1.13 5.08 -1.28 -0.22 114.58 119.57 1uw4 h GLU 981 Ca 0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1uw4 h GLU 981 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1uw4 h GLU 981 CO 0.07 0.49 -0.23 1.25 -1.00 0.00 0.00 179.01 179.59 1uw4 h LEU 982 N 0.00 0.93 -0.20 1.33 5.85 -1.37 -2.57 115.31 119.28 1uw4 h LEU 982 Ca -0.00 -0.41 -0.22 0.00 0.84 0.00 0.00 57.88 58.08 1uw4 h LEU 982 Cb 0.98 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1uw4 h LEU 982 CO 0.06 1.14 -0.82 -0.07 -0.34 0.00 0.00 178.44 178.42 1uw4 h LEU 983 N 0.72 0.80 -6.13 2.25 3.38 -1.28 -3.42 115.31 111.63 1uw4 h LEU 983 Ca 0.09 -0.55 -0.50 0.00 0.09 0.00 0.00 57.88 57.02 1uw4 h LEU 983 Cb 0.80 -0.24 -0.34 0.00 0.09 0.00 0.00 40.66 40.98 1uw4 h LEU 983 CO 0.07 1.34 -0.86 -0.13 0.09 0.00 0.00 178.44 178.94 1uw4 s ARG 984 N -3.62 0.89 0.54 1.13 1.81 -0.11 -5.03 118.95 114.57 1uw4 s ARG 984 Ca -0.09 -1.79 0.36 0.00 -1.72 0.00 0.00 55.73 52.50 1uw4 s ARG 984 Cb 0.09 -1.11 1.55 0.00 -0.45 0.00 0.00 34.95 35.03 1uw4 s ARG 984 CO 0.89 -1.36 1.81 -1.35 -0.68 0.00 0.00 175.30 174.62 1uw4 h PRO 985 N 5.70 0.00 -0.65 3.54 0.11 -1.68 -0.48 132.00 138.54 1uw4 h PRO 985 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1uw4 h PRO 985 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1uw4 h PRO 985 CO 0.29 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.71 1uw4 n LYS 986 N -4.18 2.70 -1.68 1.05 4.76 -1.26 -4.98 118.16 114.56 1uw4 n LYS 986 Ca 0.25 -2.55 -0.39 0.00 -2.87 0.00 0.00 58.31 52.75 1uw4 n LYS 986 Cb 1.22 -1.53 0.04 0.00 -1.84 0.00 0.00 35.03 32.92 1uw4 n LYS 986 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1uw4 n ILE 987 N 1.53 3.45 -3.11 -0.18 3.06 -0.19 -4.94 119.36 118.98 1uw4 n ILE 987 Ca 0.23 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.56 1uw4 n ILE 987 Cb 0.60 -1.43 -0.07 0.00 0.54 0.00 0.00 39.64 39.28 1uw4 n ILE 987 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1uw4 s LYS 988 N -2.64 3.59 -0.26 9.51 2.47 -1.26 -5.03 119.74 126.11 1uw4 s LYS 988 Ca 0.70 -0.04 -0.26 0.00 -1.56 0.00 0.00 55.97 54.81 1uw4 s LYS 988 Cb -0.45 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 1uw4 s LYS 988 CO 0.51 -0.80 0.90 -0.51 0.16 0.00 0.00 175.35 175.60 1uw4 s LEU 989 N 2.75 4.06 0.32 5.43 1.43 -1.26 -5.02 118.68 126.39 1uw4 s LEU 989 Ca 0.24 1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 1uw4 s LEU 989 Cb -0.14 -3.28 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 1uw4 s LEU 989 CO 0.16 -0.62 1.50 0.00 0.23 0.00 0.00 176.35 177.62 1uw4 n ASN 991 N 1.51 3.36 -3.70 0.00 3.02 -1.26 -5.00 115.26 113.20 1uw4 n ASN 991 Ca 0.05 -1.95 -0.10 0.00 -0.03 0.00 0.00 54.58 52.55 1uw4 n ASN 991 Cb 0.39 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1uw4 n ASN 991 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1uw4 s SER 992 N -1.15 -0.33 0.24 6.41 1.04 -1.26 -5.03 113.70 113.62 1uw4 s SER 992 Ca 0.36 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1uw4 s SER 992 Cb 0.20 0.62 0.26 0.00 0.10 0.00 0.00 66.02 67.19 1uw4 s SER 992 CO 0.27 -1.10 1.81 0.25 0.98 0.00 0.00 173.24 175.45 1uw4 h LEU 993 N 2.11 1.00 -0.27 2.42 5.85 -1.94 -2.82 115.31 121.66 1uw4 h LEU 993 Ca -0.28 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1uw4 h LEU 993 Cb 1.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1uw4 h LEU 993 CO 0.34 0.89 0.17 -0.33 -0.34 0.00 0.00 178.44 179.17 1uw4 h GLU 994 N 1.06 0.35 -0.76 1.25 3.07 -1.99 -1.19 114.58 116.38 1uw4 h GLU 994 Ca 0.25 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1uw4 h GLU 994 Cb 0.21 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1uw4 h GLU 994 CO -0.02 0.26 0.50 1.49 -1.40 0.00 0.00 179.01 179.83 1uw4 h GLU 995 N 0.35 1.00 -0.51 2.33 4.81 -1.95 -2.01 114.58 118.60 1uw4 h GLU 995 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1uw4 h GLU 995 Cb -0.01 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1uw4 h GLU 995 CO -0.02 0.67 0.06 0.66 -0.73 0.00 0.00 179.01 179.64 1uw4 h SER 996 N 1.03 0.77 -0.02 1.04 4.64 -1.20 -2.15 113.55 117.66 1uw4 h SER 996 Ca 0.28 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 1uw4 h SER 996 Cb -0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 1uw4 h SER 996 CO -0.06 0.80 -0.46 0.40 -0.87 0.00 0.00 176.83 176.65 1uw4 h ILE 997 N 0.77 1.31 -0.58 0.95 2.04 -1.01 -2.60 117.51 118.39 1uw4 h ILE 997 Ca 0.16 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 1uw4 h ILE 997 Cb 0.38 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1uw4 h ILE 997 CO 0.01 0.52 0.03 0.03 0.00 0.00 0.00 178.15 178.73 1uw4 h ARG 998 N 0.45 1.01 -0.55 2.37 3.08 -1.12 -0.09 114.38 119.53 1uw4 h ARG 998 Ca 0.03 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.80 1uw4 h ARG 998 Cb 0.97 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1uw4 h ARG 998 CO 0.09 0.99 0.32 1.96 -1.07 0.00 0.00 179.97 182.26 1uw4 h GLN 999 N 0.91 0.60 -0.34 0.04 4.20 -1.28 -0.03 115.11 119.20 1uw4 h GLN 999 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1uw4 h GLN 999 Cb 0.52 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1uw4 h GLN 999 CO 0.02 0.40 0.16 0.28 -0.67 0.00 0.00 178.83 179.03 1uw4 h VAL 1000N 0.62 1.16 -0.63 -0.54 2.07 -1.14 -1.61 116.25 116.19 1uw4 h VAL 1000Ca 0.23 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1uw4 h VAL 1000Cb 0.07 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1uw4 h VAL 1000CO -0.12 0.17 0.40 1.56 0.02 0.00 0.00 177.57 179.60 1uw4 h GLN 1001N 0.42 0.79 -0.53 1.57 4.20 -0.62 0.15 115.11 121.08 1uw4 h GLN 1001Ca 0.12 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1uw4 h GLN 1001Cb 0.12 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1uw4 h GLN 1001CO -0.01 0.52 0.16 -0.44 -0.67 0.00 0.00 178.83 178.38 1uw4 h ASP 1002N 0.81 0.78 -0.58 1.46 3.32 -0.85 -1.16 116.42 120.20 1uw4 h ASP 1002Ca 0.24 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1uw4 h ASP 1002Cb -0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1uw4 h ASP 1002CO -0.07 0.79 0.15 0.25 -1.72 0.00 0.00 179.24 178.64 1uw4 h LEU 1003N 0.74 0.86 -1.08 1.55 5.85 -0.78 -2.90 115.31 119.55 1uw4 h LEU 1003Ca 0.17 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1uw4 h LEU 1003Cb 0.29 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1uw4 h LEU 1003CO -0.00 0.86 0.00 -0.33 -0.34 0.00 0.00 178.44 178.63 1uw4 h GLU 1004N 0.82 0.00 -0.42 1.25 5.08 -0.69 -2.01 114.58 118.61 1uw4 h GLU 1004Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1uw4 h GLU 1004Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uw4 h GLU 1004CO -0.00 0.00 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.62 1uw4 h ARG 1005N 0.00 0.94 -0.00 2.33 2.43 -1.02 -1.33 114.38 117.72 1uw4 h ARG 1005Ca 0.00 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1uw4 h ARG 1005Cb 0.64 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1uw4 h ARG 1005CO 0.00 1.11 0.00 0.93 -1.51 0.00 0.00 179.97 180.50 1uw4 h GLU 1006N 0.77 0.00 -0.60 0.20 5.08 -1.24 -2.34 114.58 116.47 1uw4 h GLU 1006Ca 0.08 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1uw4 h GLU 1006Cb 0.88 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1uw4 h GLU 1006CO 0.08 0.14 0.23 0.74 -1.00 0.00 0.00 179.01 179.20 1uw4 h PHE 1007N -0.13 0.40 -0.63 4.33 0.04 -1.38 -2.12 116.94 117.45 1uw4 h PHE 1007Ca 0.00 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1uw4 h PHE 1007Cb 0.13 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 1uw4 h PHE 1007CO -0.03 0.11 0.33 1.25 -0.60 0.00 0.00 178.31 179.37 1uw4 h LEU 1008N 0.42 0.47 -0.53 1.54 5.85 -1.07 0.99 115.31 122.98 1uw4 h LEU 1008Ca 0.30 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 1uw4 h LEU 1008Cb 0.35 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1uw4 h LEU 1008CO -0.29 0.30 0.23 0.40 -0.34 0.00 0.00 178.44 178.74 1uw4 h ILE 1009N 0.61 1.21 -0.61 4.05 2.04 -1.04 -1.46 117.51 122.32 1uw4 h ILE 1009Ca 0.29 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1uw4 h ILE 1009Cb 0.21 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1uw4 h ILE 1009CO -0.20 0.25 0.30 0.50 0.00 0.00 0.00 178.15 179.00 1uw4 h LYS 1010N 0.72 0.88 0.00 2.37 3.64 -0.66 -3.04 116.57 120.47 1uw4 h LYS 1010Ca 0.18 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1uw4 h LYS 1010Cb 0.18 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1uw4 h LYS 1010CO -0.02 0.70 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.47 1uw4 h LEU 1011N 0.84 0.00 -0.51 5.20 3.38 -0.61 -3.48 115.31 120.13 1uw4 h LEU 1011Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1uw4 h LEU 1011Cb 0.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.91 1uw4 h LEU 1011CO -0.03 0.32 -0.32 0.61 0.09 0.00 0.00 178.44 179.12 1uw4 n GLY 1012N 0.21 0.18 0.23 0.83 0.00 -0.57 -4.95 105.19 101.12 1uw4 n GLY 1012Ca -0.00 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1uw4 n GLY 1012CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uw4 h LEU 1013N -1.08 0.00 0.00 0.99 3.38 -1.88 -3.38 115.31 113.34 1uw4 h LEU 1013Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1uw4 h LEU 1013Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1uw4 h LEU 1013CO 0.27 0.10 -0.80 0.52 0.09 0.00 0.00 178.44 178.63 1uw4 n VAL 1014N -3.16 0.00 1.93 1.22 0.31 -1.26 -5.19 118.33 112.17 1uw4 n VAL 1014Ca 0.02 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.51 1uw4 n VAL 1014Cb 0.47 -1.22 0.89 0.00 -0.91 0.00 0.00 33.84 33.07 1uw4 n VAL 1014CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10