#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 3.22 0.26 -0.14 0.02 -1.26 -4.76 135.00 132.33 1uw4 s PRO 769 Ca 0.00 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.12 1uw4 s PRO 769 Cb 0.00 -2.25 0.44 0.00 0.02 0.00 0.00 34.50 32.71 1uw4 s PRO 769 CO 0.00 -1.10 1.82 -1.00 -0.33 0.00 0.00 177.00 176.39 1uw4 h PRO 770 N 1.50 0.84 -0.12 5.54 0.13 -2.06 -1.41 132.00 136.42 1uw4 h PRO 770 Ca -0.51 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.48 1uw4 h PRO 770 Cb 1.29 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1uw4 h PRO 770 CO 0.57 0.55 -0.37 -0.07 -0.23 0.00 0.00 178.00 178.46 1uw4 h LEU 771 N 0.86 0.25 -0.45 1.56 -0.00 -1.99 -1.70 115.31 113.84 1uw4 h LEU 771 Ca 0.43 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 58.14 1uw4 h LEU 771 Cb 0.39 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1uw4 h LEU 771 CO -0.25 0.60 0.01 1.56 -0.00 0.00 0.00 178.44 180.36 1uw4 h GLN 772 N 0.21 0.78 -0.12 1.13 4.20 -1.62 -1.32 115.11 118.37 1uw4 h GLN 772 Ca 0.02 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 1uw4 h GLN 772 Cb 0.75 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1uw4 h GLN 772 CO 0.06 0.84 -0.36 0.93 -0.67 0.00 0.00 178.83 179.63 1uw4 h GLU 773 N 0.63 0.25 0.24 1.46 4.39 -1.28 -1.70 114.58 118.57 1uw4 h GLU 773 Ca 0.13 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1uw4 h GLU 773 Cb 0.48 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1uw4 h GLU 773 CO 0.02 0.58 -0.11 -0.92 -1.16 0.00 0.00 179.01 177.42 1uw4 h TYR 774 N 0.22 -0.29 -0.21 4.33 3.20 -1.14 -1.29 116.97 121.79 1uw4 h TYR 774 Ca 0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1uw4 h TYR 774 Cb 0.74 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1uw4 h TYR 774 CO 0.01 0.04 -0.04 0.28 -1.64 0.00 0.00 178.16 176.81 1uw4 h VAL 775 N -0.66 0.81 -0.96 1.81 2.07 -1.21 -1.06 116.25 117.04 1uw4 h VAL 775 Ca -0.03 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1uw4 h VAL 775 Cb 0.46 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1uw4 h VAL 775 CO 0.05 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.27 1uw4 h ARG 776 N 0.02 0.95 -0.24 1.57 3.08 -1.32 -1.43 114.38 117.00 1uw4 h ARG 776 Ca 0.10 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1uw4 h ARG 776 Cb 0.15 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1uw4 h ARG 776 CO -0.20 0.63 -0.20 -0.22 -1.07 0.00 0.00 179.97 178.90 1uw4 h LYS 777 N 0.98 0.57 -0.33 0.04 3.64 -0.71 -1.16 116.57 119.60 1uw4 h LYS 777 Ca 0.46 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1uw4 h LYS 777 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1uw4 h LYS 777 CO -0.25 0.87 0.18 -0.07 -2.27 0.00 0.00 179.45 177.91 1uw4 h LEU 778 N 0.28 0.41 0.20 5.20 3.38 -0.74 -0.10 115.31 123.93 1uw4 h LEU 778 Ca 0.04 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 1uw4 h LEU 778 Cb 0.74 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.41 1uw4 h LEU 778 CO 0.05 0.37 -1.54 -0.07 0.09 0.00 0.00 178.44 177.34 1uw4 h LEU 779 N 0.41 0.66 0.00 1.67 3.38 -1.29 -1.84 115.31 118.30 1uw4 h LEU 779 Ca 0.12 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1uw4 h LEU 779 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1uw4 h LEU 779 CO -0.02 1.65 -1.23 -1.22 0.09 0.00 0.00 178.44 177.71 1uw4 n TYR 780 N -3.62 0.00 0.05 1.13 0.53 -0.44 -4.49 117.16 110.32 1uw4 n TYR 780 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.70 1uw4 n TYR 780 Cb 1.08 -0.15 0.00 0.00 -1.03 0.00 0.00 39.34 39.24 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 -1.70 0.00 -0.05 -0.72 5.02 -0.82 -4.88 118.16 115.02 1uw4 n LYS 781 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1uw4 n LYS 781 Cb 0.37 -0.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.83 -2.77 4.39 3.32 -1.10 -3.45 116.42 117.64 1uw4 h ASP 782 Ca 0.00 -0.42 -0.55 0.00 0.02 0.00 0.00 57.03 56.08 1uw4 h ASP 782 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1uw4 h ASP 782 CO 0.00 1.18 0.96 -0.22 -1.72 0.00 0.00 179.24 179.43 1uw4 s LEU 783 N -8.61 4.31 0.00 1.55 2.96 -0.69 -4.76 118.68 113.44 1uw4 s LEU 783 Ca -0.09 2.16 -0.05 0.00 -0.22 0.00 0.00 54.13 55.93 1uw4 s LEU 783 Cb 0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.27 1uw4 s LEU 783 CO 0.87 -0.82 0.55 -1.54 -1.32 0.00 0.00 176.35 174.08 1uw4 n SER 784 N 6.17 -1.55 0.25 3.68 3.41 -1.26 -4.94 113.62 119.38 1uw4 n SER 784 Ca 0.15 -2.79 0.09 0.00 -0.26 0.00 0.00 58.87 56.06 1uw4 n SER 784 Cb 0.43 2.78 0.63 0.00 -0.26 0.00 0.00 64.21 67.79 1uw4 n SER 784 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1uw4 h LYS 785 N 0.00 0.00 0.00 4.33 1.63 -1.94 -2.92 116.57 117.66 1uw4 h LYS 785 Ca -0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1uw4 h LYS 785 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1uw4 h LYS 785 CO 0.37 0.11 -0.88 1.55 -3.45 0.00 0.00 179.45 177.15 1uw4 n VAL 786 N -4.15 0.06 -0.51 2.00 3.14 -1.26 -4.19 118.33 113.42 1uw4 n VAL 786 Ca -0.02 -0.10 0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1uw4 n VAL 786 Cb 0.19 0.47 0.16 0.00 -1.06 0.00 0.00 33.84 33.60 1uw4 n VAL 786 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1uw4 n THR 787 N -1.68 1.51 -0.34 1.55 -2.24 -1.11 -4.80 114.28 107.17 1uw4 n THR 787 Ca 0.04 -1.43 -0.02 0.00 -2.27 0.00 0.00 64.05 60.36 1uw4 n THR 787 Cb 0.37 0.17 0.12 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.38 1.25 -0.43 4.28 1.35 -1.70 -1.87 112.91 117.16 1uw4 h THR 788 Ca 0.00 -0.53 -0.12 0.00 -0.55 0.00 0.00 66.41 65.21 1uw4 h THR 788 Cb 0.95 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 1uw4 h THR 788 CO 0.07 0.26 -0.22 -0.33 -0.25 0.00 0.00 175.52 175.05 1uw4 h GLU 789 N 1.28 0.87 -0.36 4.72 4.39 -1.91 -1.83 114.58 121.73 1uw4 h GLU 789 Ca 0.33 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1uw4 h GLU 789 Cb -0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1uw4 h GLU 789 CO -0.06 1.01 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.42 1uw4 h LYS 790 N 0.76 0.75 -0.55 2.33 3.64 -1.82 -2.43 116.57 119.24 1uw4 h LYS 790 Ca 0.10 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 1uw4 h LYS 790 Cb 0.76 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1uw4 h LYS 790 CO 0.06 0.93 -0.01 0.28 -2.27 0.00 0.00 179.45 178.43 1uw4 h VAL 791 N 0.54 1.27 -0.09 2.00 2.07 -1.28 -2.61 116.25 118.13 1uw4 h VAL 791 Ca 0.08 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1uw4 h VAL 791 Cb 0.69 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1uw4 h VAL 791 CO 0.05 0.41 -0.10 0.25 0.02 0.00 0.00 177.57 178.19 1uw4 h LEU 792 N 0.87 -0.31 -0.65 2.57 5.85 -1.33 0.19 115.31 122.49 1uw4 h LEU 792 Ca 0.15 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1uw4 h LEU 792 Cb 0.56 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1uw4 h LEU 792 CO 0.03 -0.14 0.21 -0.09 -0.34 0.00 0.00 178.44 178.11 1uw4 h ARG 793 N -0.13 0.35 -0.42 1.25 2.43 -1.32 -1.45 114.38 115.08 1uw4 h ARG 793 Ca 0.07 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1uw4 h ARG 793 Cb 0.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1uw4 h ARG 793 CO -0.17 0.23 -0.31 1.96 -1.51 0.00 0.00 179.97 180.17 1uw4 h GLN 794 N 0.36 0.95 -0.71 0.20 4.20 -1.03 -3.07 115.11 116.01 1uw4 h GLN 794 Ca 0.34 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1uw4 h GLN 794 Cb 0.48 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1uw4 h GLN 794 CO -0.37 1.12 0.25 0.52 -0.67 0.00 0.00 178.83 179.68 1uw4 h MET 795 N 0.78 1.08 -0.91 1.46 2.86 -0.51 -2.79 114.93 116.91 1uw4 h MET 795 Ca 0.08 -0.22 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1uw4 h MET 795 Cb 0.90 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.31 1uw4 h MET 795 CO 0.08 0.91 0.53 0.00 1.06 0.00 0.00 176.91 179.50 1uw4 h ARG 796 N 1.03 0.80 -0.02 1.72 3.08 -1.19 -2.30 114.38 117.49 1uw4 h ARG 796 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1uw4 h ARG 796 Cb 0.26 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1uw4 h ARG 796 CO -0.01 0.53 0.00 0.36 -1.07 0.00 0.00 179.97 179.78 1uw4 n LYS 797 N -4.73 1.22 -1.46 0.04 -0.00 -1.06 -4.89 118.16 107.28 1uw4 n LYS 797 Ca 0.17 -0.32 -0.35 0.00 -0.00 0.00 0.00 58.31 57.80 1uw4 n LYS 797 Cb 0.37 -1.43 0.09 0.00 -0.00 0.00 0.00 35.03 34.06 1uw4 n LYS 797 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1uw4 s LEU 798 N -1.85 3.38 -1.10 -5.58 1.43 -0.87 -4.88 118.68 109.21 1uw4 s LEU 798 Ca 0.39 2.51 -0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1uw4 s LEU 798 Cb 0.19 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1uw4 s LEU 798 CO 0.31 -2.30 1.86 -2.16 0.23 0.00 0.00 176.35 174.29 1uw4 s PRO 799 N -3.72 2.84 0.00 1.29 0.04 -1.26 -4.77 135.00 129.41 1uw4 s PRO 799 Ca 0.78 -1.03 0.18 0.00 0.04 0.00 0.00 61.00 60.98 1uw4 s PRO 799 Cb -0.33 -5.25 0.83 0.00 0.04 0.00 0.00 34.50 29.79 1uw4 s PRO 799 CO 0.45 -3.38 1.57 0.91 0.04 0.00 0.00 177.00 176.58 1uw4 n TRP 800 N 12.86 0.00 0.13 0.56 7.02 -1.26 -2.27 117.44 134.48 1uw4 n TRP 800 Ca 0.43 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.99 1uw4 n TRP 800 Cb 0.47 -0.41 0.04 0.00 -2.42 0.00 0.00 31.31 28.99 1uw4 n TRP 800 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1uw4 h GLN 801 N 0.00 0.00 -6.49 -0.99 7.50 -2.02 -3.43 115.11 109.68 1uw4 h GLN 801 Ca 0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1uw4 h GLN 801 Cb 0.25 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.73 1uw4 h GLN 801 CO 0.00 0.15 1.08 0.34 -1.50 0.00 0.00 178.83 178.90 1uw4 s ASP 802 N -5.90 6.32 0.29 1.46 -1.08 -0.96 -4.92 116.67 111.88 1uw4 s ASP 802 Ca 0.02 0.90 -0.00 0.00 -0.52 0.00 0.00 52.55 52.95 1uw4 s ASP 802 Cb 0.08 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.44 1uw4 s ASP 802 CO 0.75 -1.43 1.85 -0.61 0.52 0.00 0.00 175.17 176.25 1uw4 h GLN 803 N 10.80 0.80 -0.55 4.34 5.75 -1.86 -2.24 115.11 132.15 1uw4 h GLN 803 Ca -0.28 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1uw4 h GLN 803 Cb 1.11 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 1uw4 h GLN 803 CO 1.08 0.70 0.31 0.93 -2.65 0.00 0.00 178.83 179.20 1uw4 h GLU 804 N 0.78 0.75 -0.06 1.69 5.08 -1.95 -0.73 114.58 120.13 1uw4 h GLU 804 Ca 0.18 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1uw4 h GLU 804 Cb 0.25 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1uw4 h GLU 804 CO -0.01 0.55 -0.78 0.28 -1.00 0.00 0.00 179.01 178.05 1uw4 h VAL 805 N 0.76 1.32 -0.51 3.13 2.07 -1.73 -2.05 116.25 119.24 1uw4 h VAL 805 Ca 0.20 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 1uw4 h VAL 805 Cb 0.01 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1uw4 h VAL 805 CO -0.03 0.63 0.20 0.50 0.02 0.00 0.00 177.57 178.89 1uw4 h LYS 806 N 0.29 0.77 -0.91 1.57 3.64 -1.24 -2.43 116.57 118.25 1uw4 h LYS 806 Ca -0.08 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1uw4 h LYS 806 Cb 1.44 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1uw4 h LYS 806 CO 0.16 0.68 0.55 -0.44 -2.27 0.00 0.00 179.45 178.13 1uw4 h ASP 807 N 0.69 1.09 -0.39 4.20 3.32 -1.16 -2.47 116.42 121.69 1uw4 h ASP 807 Ca 0.17 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1uw4 h ASP 807 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1uw4 h ASP 807 CO -0.01 0.84 -0.22 0.22 -1.72 0.00 0.00 179.24 178.34 1uw4 h TYR 808 N 1.26 1.02 -0.34 4.55 3.20 -1.09 -1.53 116.97 124.04 1uw4 h TYR 808 Ca 0.33 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1uw4 h TYR 808 Cb -0.06 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1uw4 h TYR 808 CO 0.01 1.02 0.00 0.28 -1.64 0.00 0.00 178.16 177.83 1uw4 h VAL 809 N 0.77 1.26 -0.40 1.81 2.07 -1.31 -0.80 116.25 119.66 1uw4 h VAL 809 Ca 0.10 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1uw4 h VAL 809 Cb 0.77 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1uw4 h VAL 809 CO 0.06 0.31 0.21 0.40 0.02 0.00 0.00 177.57 178.57 1uw4 h ILE 810 N 0.40 1.00 -0.75 4.57 2.04 -1.34 -1.42 117.51 122.02 1uw4 h ILE 810 Ca 0.10 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1uw4 h ILE 810 Cb 0.44 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1uw4 h ILE 810 CO 0.02 0.08 0.25 0.00 0.00 0.00 0.00 178.15 178.49 1uw4 h MET 813 N 0.39 0.22 -0.23 0.00 2.07 -0.98 -3.10 114.93 113.29 1uw4 h MET 813 Ca 0.07 -0.24 -0.12 0.00 -2.07 0.00 0.00 59.70 57.33 1uw4 h MET 813 Cb 0.55 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 1uw4 h MET 813 CO 0.04 0.97 -0.38 0.82 1.07 0.00 0.00 176.91 179.43 1uw4 h ILE 814 N 0.12 1.30 -0.12 -1.22 2.04 -1.16 -3.12 117.51 115.35 1uw4 h ILE 814 Ca -0.05 -1.52 -0.45 0.00 1.00 0.00 0.00 64.86 63.84 1uw4 h ILE 814 Cb 1.52 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 39.10 1uw4 h ILE 814 CO 0.14 0.48 1.67 0.59 0.00 0.00 0.00 178.15 181.02 1uw4 n ASN 815 N -4.04 7.01 0.15 1.72 3.02 -0.81 -4.65 115.26 117.66 1uw4 n ASN 815 Ca -0.01 -2.59 0.12 0.00 -0.03 0.00 0.00 54.58 52.06 1uw4 n ASN 815 Cb 0.50 -1.47 0.53 0.00 -0.61 0.00 0.00 39.78 38.73 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 2.47 0.00 0.00 2.41 6.09 -1.67 -2.94 117.51 123.87 1uw4 h ILE 816 Ca 0.53 -0.19 -0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1uw4 h ILE 816 Cb 0.87 0.88 -0.00 0.00 0.47 0.00 0.00 36.82 39.04 1uw4 h ILE 816 CO 1.01 0.00 -0.02 4.11 -3.07 0.00 0.00 178.15 180.18 1uw4 h TRP 817 N 0.00 0.00 0.00 2.19 5.08 -1.85 -1.48 115.95 119.89 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 0.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.44 1uw4 h TRP 817 CO 0.00 0.02 0.00 -0.91 -1.28 0.00 0.00 178.44 176.27 1uw4 h ASN 818 N 0.00 0.00 -3.06 0.11 2.35 -1.89 -3.43 115.58 109.66 1uw4 h ASN 818 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1uw4 h ASN 818 Cb 0.07 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 1uw4 h ASN 818 CO 0.00 0.00 -0.32 -0.69 -1.65 0.00 0.00 177.43 174.77 1uw4 s VAL 819 N -3.40 5.26 0.41 2.81 1.01 -0.56 -4.90 120.40 121.04 1uw4 s VAL 819 Ca 0.03 0.57 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 1uw4 s VAL 819 Cb 0.09 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 1uw4 s VAL 819 CO 0.38 0.50 0.75 0.29 0.00 0.00 0.00 175.10 177.03 1uw4 n LYS 820 N 2.67 0.89 -0.17 2.72 5.02 -1.26 -4.81 118.16 123.21 1uw4 n LYS 820 Ca -0.14 0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1uw4 n LYS 820 Cb 0.53 -1.73 0.06 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.12 0.51 0.00 2.13 3.20 -1.93 -2.20 116.97 119.79 1uw4 h TYR 821 Ca -0.42 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1uw4 h TYR 821 Cb 1.37 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1uw4 h TYR 821 CO 0.40 0.25 0.00 0.27 -1.64 0.00 0.00 178.16 177.44 1uw4 n ASN 822 N -4.86 0.00 -0.20 -2.11 0.23 -1.26 -2.39 115.26 104.66 1uw4 n ASN 822 Ca 0.05 -0.34 0.02 0.00 -0.53 0.00 0.00 54.58 53.78 1uw4 n ASN 822 Cb 0.13 -0.15 0.04 0.00 -2.08 0.00 0.00 39.78 37.72 1uw4 n ASN 822 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1uw4 n SER 823 N -1.15 1.81 -0.32 0.53 7.64 -0.85 -4.63 113.62 116.65 1uw4 n SER 823 Ca 0.13 -1.55 0.04 0.00 1.01 0.00 0.00 58.87 58.49 1uw4 n SER 823 Cb 0.12 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.79 0.95 -0.03 0.44 2.04 -1.19 -2.13 117.51 118.37 1uw4 h ILE 824 Ca 0.00 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1uw4 h ILE 824 Cb 0.36 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1uw4 h ILE 824 CO 0.00 0.17 -0.12 1.12 0.00 0.00 0.00 178.15 179.32 1uw4 h HIS 825 N 0.92 0.04 -0.06 1.37 2.07 -1.82 -1.67 115.15 116.01 1uw4 h HIS 825 Ca 0.43 -0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.90 1uw4 h HIS 825 Cb 0.35 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 1uw4 h HIS 825 CO -0.03 0.16 -0.18 0.00 -3.07 0.00 0.00 177.93 174.81 1uw4 h VAL 827 N 0.08 1.28 -0.54 0.00 2.07 -1.28 -0.88 116.25 116.98 1uw4 h VAL 827 Ca 0.02 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1uw4 h VAL 827 Cb 0.36 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1uw4 h VAL 827 CO 0.02 0.58 0.27 0.00 0.02 0.00 0.00 177.57 178.47 1uw4 h ALA 828 N 0.69 0.69 -0.51 1.67 0.00 -1.35 -0.98 119.26 119.48 1uw4 h ALA 828 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1uw4 h ALA 828 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1uw4 h ALA 828 CO 0.13 0.24 0.26 -0.97 0.00 0.00 0.00 179.25 178.91 1uw4 h ASN 829 N 0.72 0.65 -0.78 0.00 -1.24 -1.29 -1.65 115.58 111.99 1uw4 h ASN 829 Ca 0.19 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1uw4 h ASN 829 Cb 0.09 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 1uw4 h ASN 829 CO -0.03 0.58 0.40 0.25 -1.29 0.00 0.00 177.43 177.35 1uw4 h LEU 830 N 0.67 0.99 -1.03 0.34 5.85 -1.04 -2.22 115.31 118.88 1uw4 h LEU 830 Ca 0.18 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1uw4 h LEU 830 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1uw4 h LEU 830 CO -0.02 0.82 -0.04 0.25 -0.34 0.00 0.00 178.44 179.11 1uw4 h LEU 831 N 1.09 0.61 -1.10 2.25 5.85 -0.88 -1.26 115.31 121.87 1uw4 h LEU 831 Ca 0.27 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1uw4 h LEU 831 Cb 0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1uw4 h LEU 831 CO -0.04 0.71 -0.28 0.00 -0.34 0.00 0.00 178.44 178.50 1uw4 h ALA 832 N 1.35 1.25 -0.09 1.25 0.00 -0.78 -1.04 119.26 121.20 1uw4 h ALA 832 Ca 0.12 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1uw4 h ALA 832 Cb 0.44 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1uw4 h ALA 832 CO 0.02 0.50 -0.82 0.78 0.00 0.00 0.00 179.25 179.73 1uw4 h GLY 833 N 1.02 0.65 1.79 0.00 0.00 -1.07 -3.35 103.07 102.10 1uw4 h GLY 833 Ca 0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 47.33 46.23 1uw4 h GLY 833 CO 0.05 0.87 -0.72 -2.00 0.00 0.00 0.00 176.54 174.73 1uw4 h LEU 834 N 0.38 0.25 0.00 3.11 5.85 -0.82 -3.12 115.31 120.96 1uw4 h LEU 834 Ca -0.06 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1uw4 h LEU 834 Cb 1.43 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1uw4 h LEU 834 CO 0.15 0.88 0.00 1.33 -0.34 0.00 0.00 178.44 180.47 1uw4 n VAL 835 N -3.78 0.66 0.22 1.05 0.24 -0.43 -1.24 118.33 115.05 1uw4 n VAL 835 Ca -0.03 0.17 0.05 0.00 -2.04 0.00 0.00 64.34 62.49 1uw4 n VAL 835 Cb 0.70 -0.86 0.48 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.00 0.00 1.34 -0.00 -1.72 -3.16 115.31 111.77 1uw4 h LEU 836 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1uw4 h LEU 836 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1uw4 h LEU 836 CO 0.00 0.23 -1.42 -1.22 -0.00 0.00 0.00 178.44 176.02 1uw4 n TYR 837 N -4.23 0.00 -3.11 1.13 4.01 -0.59 -4.84 117.16 109.53 1uw4 n TYR 837 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1uw4 n TYR 837 Cb 0.29 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 1uw4 n TYR 837 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1uw4 n GLN 838 N -1.87 0.74 -0.14 -0.72 -0.06 -0.37 -4.99 117.38 109.97 1uw4 n GLN 838 Ca -0.03 -2.95 -0.05 0.00 -2.00 0.00 0.00 57.00 51.97 1uw4 n GLN 838 Cb 0.30 -1.28 0.14 0.00 -4.06 0.00 0.00 30.24 25.33 1uw4 n GLN 838 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1uw4 h GLU 839 N 3.93 0.86 -0.53 3.69 4.81 -1.78 -2.77 114.58 122.80 1uw4 h GLU 839 Ca 0.03 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1uw4 h GLU 839 Cb 0.91 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1uw4 h GLU 839 CO 0.43 0.84 0.35 0.38 -0.73 0.00 0.00 179.01 180.29 1uw4 h ASP 840 N 0.81 0.35 -0.45 1.04 2.03 -1.94 -2.42 116.42 115.84 1uw4 h ASP 840 Ca 0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1uw4 h ASP 840 Cb 0.43 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 1uw4 h ASP 840 CO 0.02 0.22 0.24 0.58 -1.03 0.00 0.00 179.24 179.27 1uw4 h VAL 841 N 0.40 1.17 -0.73 4.15 2.07 -1.91 -2.10 116.25 119.29 1uw4 h VAL 841 Ca 0.24 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1uw4 h VAL 841 Cb 0.42 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1uw4 h VAL 841 CO -0.06 0.18 0.28 1.23 0.02 0.00 0.00 177.57 179.22 1uw4 h GLY 842 N 0.58 1.19 1.00 2.17 0.00 -1.53 -1.70 103.07 104.77 1uw4 h GLY 842 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1uw4 h GLY 842 CO -0.02 0.62 0.24 -2.22 0.00 0.00 0.00 176.54 175.16 1uw4 h ILE 843 N 1.06 1.09 -0.26 2.60 2.04 -1.32 -2.07 117.51 120.65 1uw4 h ILE 843 Ca 0.24 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1uw4 h ILE 843 Cb 0.23 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1uw4 h ILE 843 CO -0.02 0.09 -0.19 0.45 0.00 0.00 0.00 178.15 178.49 1uw4 h HIS 844 N 0.49 0.50 -0.15 1.37 3.86 -1.17 -0.54 115.15 119.51 1uw4 h HIS 844 Ca 0.13 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1uw4 h HIS 844 Cb -0.05 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1uw4 h HIS 844 CO -0.05 0.62 -0.11 0.28 0.86 0.00 0.00 177.93 179.53 1uw4 h VAL 845 N 0.41 1.33 -0.17 2.45 2.07 -1.16 -1.19 116.25 119.99 1uw4 h VAL 845 Ca 0.07 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1uw4 h VAL 845 Cb 0.56 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1uw4 h VAL 845 CO 0.04 0.35 0.10 0.58 0.02 0.00 0.00 177.57 178.67 1uw4 h VAL 846 N -0.02 1.08 -0.99 2.57 2.07 -1.16 -0.07 116.25 119.74 1uw4 h VAL 846 Ca 0.03 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.51 1uw4 h VAL 846 Cb 0.60 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 1uw4 h VAL 846 CO 0.03 0.07 0.62 0.44 0.02 0.00 0.00 177.57 178.75 1uw4 h ASP 847 N 0.20 0.83 -0.16 0.57 3.32 -1.12 -2.17 116.42 117.89 1uw4 h ASP 847 Ca 0.06 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1uw4 h ASP 847 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1uw4 h ASP 847 CO -0.01 0.39 -0.45 1.23 -1.72 0.00 0.00 179.24 178.68 1uw4 h GLY 848 N 0.86 0.64 1.04 2.75 0.00 -0.60 -2.37 103.07 105.40 1uw4 h GLY 848 Ca 0.51 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1uw4 h GLY 848 CO -0.29 0.73 0.34 -2.08 0.00 0.00 0.00 176.54 175.25 1uw4 h VAL 849 N 0.24 1.26 -0.15 4.60 2.07 -0.83 -1.00 116.25 122.43 1uw4 h VAL 849 Ca -0.01 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.58 1uw4 h VAL 849 Cb 1.07 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1uw4 h VAL 849 CO 0.10 0.33 -0.51 -0.07 0.02 0.00 0.00 177.57 177.43 1uw4 h LEU 850 N 1.16 0.45 -0.72 2.57 3.38 -1.40 -1.36 115.31 119.38 1uw4 h LEU 850 Ca 0.27 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1uw4 h LEU 850 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1uw4 h LEU 850 CO -0.03 0.88 0.13 -0.08 0.09 0.00 0.00 178.44 179.44 1uw4 h GLU 851 N 0.32 1.11 -0.30 1.13 4.57 -1.16 -2.42 114.58 117.83 1uw4 h GLU 851 Ca 0.01 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.81 1uw4 h GLU 851 Cb 1.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1uw4 h GLU 851 CO 0.09 1.00 -0.23 0.22 -1.18 0.00 0.00 179.01 178.91 1uw4 h ASP 852 N 1.04 0.57 -0.37 1.04 3.58 -0.81 0.29 116.42 121.76 1uw4 h ASP 852 Ca 0.21 -0.19 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 1uw4 h ASP 852 Cb 0.41 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1uw4 h ASP 852 CO 0.01 0.79 -0.19 0.40 -2.88 0.00 0.00 179.24 177.37 1uw4 h ILE 853 N 0.50 1.27 -0.03 2.25 2.04 -1.12 -0.56 117.51 121.87 1uw4 h ILE 853 Ca 0.07 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1uw4 h ILE 853 Cb 0.67 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1uw4 h ILE 853 CO 0.05 0.45 -0.04 -0.09 0.00 0.00 0.00 178.15 178.52 1uw4 h ARG 854 N 0.75 0.07 -0.60 2.37 9.65 -1.19 -3.06 114.38 122.37 1uw4 h ARG 854 Ca 0.11 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1uw4 h ARG 854 Cb 0.72 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 1uw4 h ARG 854 CO 0.06 0.57 0.40 1.25 2.80 0.00 0.00 179.97 185.05 1uw4 h LEU 855 N -0.43 0.65 -1.29 3.80 5.85 -0.93 -2.01 115.31 120.95 1uw4 h LEU 855 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1uw4 h LEU 855 Cb 0.57 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1uw4 h LEU 855 CO 0.01 0.46 0.39 1.23 -0.34 0.00 0.00 178.44 180.18 1uw4 h GLY 856 N 0.76 0.93 1.75 3.75 0.00 -1.08 -0.57 103.07 108.61 1uw4 h GLY 856 Ca 0.23 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1uw4 h GLY 856 CO -0.06 0.37 -0.56 -0.33 0.00 0.00 0.00 176.54 175.97 1uw4 h MET 857 N 0.89 0.26 -0.10 4.80 2.86 -1.27 0.26 114.93 122.62 1uw4 h MET 857 Ca 0.23 -0.17 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1uw4 h MET 857 Cb -0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1uw4 h MET 857 CO -0.04 0.75 -0.54 0.93 1.06 0.00 0.00 176.91 179.07 1uw4 h GLU 858 N 0.20 0.30 0.00 1.72 5.08 -0.96 -3.35 114.58 117.57 1uw4 h GLU 858 Ca 0.00 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1uw4 h GLU 858 Cb 1.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1uw4 h GLU 858 CO 0.09 0.76 -0.56 0.28 -1.00 0.00 0.00 179.01 178.58 1uw4 h VAL 859 N 0.23 0.48 -6.41 3.13 2.07 -1.15 -3.49 116.25 111.11 1uw4 h VAL 859 Ca 0.00 -1.50 -0.49 0.00 0.82 0.00 0.00 66.70 65.54 1uw4 h VAL 859 Cb 1.02 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1uw4 h VAL 859 CO 0.09 0.16 -0.84 -3.20 0.02 0.00 0.00 177.57 173.80 1uw4 n ASN 860 N -4.60 -1.98 -4.72 0.57 5.15 0.08 -4.97 115.26 104.79 1uw4 n ASN 860 Ca -0.13 -0.92 -0.35 0.00 -0.60 0.00 0.00 54.58 52.58 1uw4 n ASN 860 Cb 0.36 -3.40 -0.08 0.00 -0.53 0.00 0.00 39.78 36.12 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 -6.51 4.15 0.61 1.20 -0.21 -1.26 -5.01 119.66 112.62 1uw4 s GLN 861 Ca 0.27 -0.23 0.30 0.00 0.02 0.00 0.00 55.36 55.72 1uw4 s GLN 861 Cb -0.14 -3.39 1.67 0.00 1.00 0.00 0.00 33.01 32.15 1uw4 s GLN 861 CO 0.87 0.31 2.03 -1.35 -2.12 0.00 0.00 175.29 175.03 1uw4 h PRO 862 N 6.64 0.00 0.00 2.91 0.11 -2.00 -1.45 132.00 138.21 1uw4 h PRO 862 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1uw4 h PRO 862 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uw4 h PRO 862 CO 0.75 0.00 -0.01 1.57 -0.21 0.00 0.00 178.00 180.10 1uw4 h LYS 863 N 0.00 0.00 -0.53 1.05 2.10 -2.02 -2.22 116.57 114.95 1uw4 h LYS 863 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1uw4 h LYS 863 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1uw4 h LYS 863 CO -0.00 0.01 0.00 1.19 -2.00 0.00 0.00 179.45 178.65 1uw4 n PHE 864 N -3.33 0.71 0.01 0.07 3.72 -0.55 -4.61 117.46 113.48 1uw4 n PHE 864 Ca -0.03 -0.35 -0.10 0.00 -0.05 0.00 0.00 57.45 56.92 1uw4 n PHE 864 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 3.46 -0.31 -0.82 4.37 -0.26 -1.55 -1.33 115.58 119.15 1uw4 h ASN 865 Ca 0.00 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1uw4 h ASN 865 Cb 0.79 0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 38.15 1uw4 h ASN 865 CO 0.00 -0.14 0.53 1.56 -1.06 0.00 0.00 177.43 178.33 1uw4 h GLN 866 N -0.13 1.03 -0.59 0.81 4.20 -1.84 -1.93 115.11 116.67 1uw4 h GLN 866 Ca 0.07 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1uw4 h GLN 866 Cb 0.23 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1uw4 h GLN 866 CO -0.17 0.68 0.06 0.00 -0.67 0.00 0.00 178.83 178.73 1uw4 h ARG 867 N 1.06 0.98 -0.19 1.46 3.08 -1.77 -2.09 114.38 116.93 1uw4 h ARG 867 Ca 0.31 -0.26 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 1uw4 h ARG 867 Cb -0.06 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1uw4 h ARG 867 CO -0.09 0.93 -0.65 0.00 -1.07 0.00 0.00 179.97 179.09 1uw4 h ARG 868 N 0.92 0.69 -0.63 0.04 3.08 -1.00 -1.98 114.38 115.49 1uw4 h ARG 868 Ca 0.18 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1uw4 h ARG 868 Cb 0.45 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1uw4 h ARG 868 CO 0.02 1.11 0.26 0.82 -1.07 0.00 0.00 179.97 181.10 1uw4 h ILE 869 N 0.50 1.23 -0.84 2.04 1.08 -1.30 -1.96 117.51 118.27 1uw4 h ILE 869 Ca -0.01 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1uw4 h ILE 869 Cb 1.24 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1uw4 h ILE 869 CO 0.13 0.28 0.51 0.28 -0.69 0.00 0.00 178.15 178.67 1uw4 h SER 870 N 0.88 0.99 -0.60 1.72 0.02 -1.19 -1.36 113.55 114.02 1uw4 h SER 870 Ca 0.21 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1uw4 h SER 870 Cb 0.20 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1uw4 h SER 870 CO -0.02 0.76 0.01 0.28 -1.14 0.00 0.00 176.83 176.71 1uw4 h SER 871 N 1.15 1.04 -0.36 3.07 0.02 -1.08 -1.05 113.55 116.35 1uw4 h SER 871 Ca 0.30 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1uw4 h SER 871 Cb -0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1uw4 h SER 871 CO -0.06 1.09 -0.09 0.00 -1.14 0.00 0.00 176.83 176.63 1uw4 h ALA 872 N 1.02 0.49 -0.51 3.77 0.00 -0.92 -1.41 119.26 121.70 1uw4 h ALA 872 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uw4 h ALA 872 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1uw4 h ALA 872 CO 0.03 0.34 0.34 -0.22 0.00 0.00 0.00 179.25 179.74 1uw4 h LYS 873 N 0.48 0.67 -0.66 0.00 1.63 -1.19 -1.73 116.57 115.78 1uw4 h LYS 873 Ca 0.09 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1uw4 h LYS 873 Cb 0.59 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1uw4 h LYS 873 CO 0.04 0.44 0.41 0.35 -3.45 0.00 0.00 179.45 177.24 1uw4 h PHE 874 N 0.69 0.78 -0.89 1.91 3.57 -1.02 -0.50 116.94 121.47 1uw4 h PHE 874 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1uw4 h PHE 874 Cb -0.08 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 1uw4 h PHE 874 CO -0.04 0.46 0.53 1.25 -2.23 0.00 0.00 178.31 178.28 1uw4 h LEU 875 N 0.82 1.08 -1.01 0.59 5.85 -0.87 0.98 115.31 122.74 1uw4 h LEU 875 Ca 0.26 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1uw4 h LEU 875 Cb -0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1uw4 h LEU 875 CO -0.09 0.83 0.11 1.23 -0.34 0.00 0.00 178.44 180.18 1uw4 h GLY 876 N 1.23 0.88 1.99 3.75 0.00 -0.56 -2.02 103.07 108.35 1uw4 h GLY 876 Ca 0.32 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1uw4 h GLY 876 CO -0.06 0.49 -0.68 0.83 0.00 0.00 0.00 176.54 177.12 1uw4 h GLU 877 N 0.79 0.01 -0.30 4.80 4.39 -0.32 -2.20 114.58 121.75 1uw4 h GLU 877 Ca 0.17 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1uw4 h GLU 877 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1uw4 h GLU 877 CO 0.00 0.69 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.45 1uw4 h LEU 878 N 0.01 0.44 -0.35 1.33 3.38 -0.27 -1.46 115.31 118.38 1uw4 h LEU 878 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1uw4 h LEU 878 Cb 1.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1uw4 h LEU 878 CO 0.09 0.52 -0.03 0.22 0.09 0.00 0.00 178.44 179.33 1uw4 h TYR 879 N 0.45 0.71 0.00 1.13 3.20 -1.15 0.70 116.97 122.01 1uw4 h TYR 879 Ca 0.10 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1uw4 h TYR 879 Cb 0.33 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1uw4 h TYR 879 CO 0.01 0.77 -0.12 -0.91 -1.64 0.00 0.00 178.16 176.27 1uw4 h ASN 880 N 0.45 0.00 -0.45 -2.11 2.35 -0.72 -2.03 115.58 113.07 1uw4 h ASN 880 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1uw4 h ASN 880 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1uw4 h ASN 880 CO 0.02 0.12 0.04 -1.22 -1.65 0.00 0.00 177.43 174.75 1uw4 n TYR 881 N -4.37 1.58 -2.11 1.19 4.02 -0.63 -4.96 117.16 111.89 1uw4 n TYR 881 Ca -0.03 -0.93 -0.14 0.00 -0.01 0.00 0.00 57.90 56.79 1uw4 n TYR 881 Cb 0.20 -0.45 -0.02 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.12 -1.12 0.08 -0.72 1.74 -0.76 -4.83 116.66 110.94 1uw4 n ARG 882 Ca 0.27 0.76 0.03 0.00 -0.77 0.00 0.00 57.85 58.14 1uw4 n ARG 882 Cb 1.09 -5.02 -0.03 0.00 -1.02 0.00 0.00 32.46 27.48 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 -4.58 5.56 2.86 -1.08 -3.46 114.93 114.23 1uw4 h MET 883 Ca -0.33 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.05 1uw4 h MET 883 Cb 1.19 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.65 1uw4 h MET 883 CO 0.41 0.31 -0.73 0.14 1.06 0.00 0.00 176.91 178.10 1uw4 s VAL 884 N -3.00 0.57 0.58 -2.22 -7.23 -1.10 -4.98 120.40 103.01 1uw4 s VAL 884 Ca 0.00 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1uw4 s VAL 884 Cb 0.08 -0.85 0.03 0.00 0.56 0.00 0.00 36.38 36.20 1uw4 s VAL 884 CO 0.78 -0.50 0.84 -1.61 -0.31 0.00 0.00 175.10 174.31 1uw4 s GLU 885 N -2.10 2.65 0.47 4.82 2.02 -1.26 -4.42 118.70 120.88 1uw4 s GLU 885 Ca -0.05 -0.41 0.16 0.00 0.02 0.00 0.00 54.97 54.69 1uw4 s GLU 885 Cb -0.06 -2.37 1.13 0.00 0.10 0.00 0.00 34.13 32.92 1uw4 s GLU 885 CO -0.01 -0.75 2.03 0.66 0.02 0.00 0.00 175.26 177.21 1uw4 h SER 886 N -0.09 0.23 -0.98 -0.19 4.64 -2.01 -1.57 113.55 113.58 1uw4 h SER 886 Ca -0.44 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.02 1uw4 h SER 886 Cb 1.28 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 1uw4 h SER 886 CO 0.57 0.15 0.62 0.00 -0.87 0.00 0.00 176.83 177.30 1uw4 h ALA 887 N 1.78 1.62 -0.65 5.18 0.00 -1.99 -0.43 119.26 124.76 1uw4 h ALA 887 Ca 0.19 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1uw4 h ALA 887 Cb 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1uw4 h ALA 887 CO -0.04 0.11 0.27 0.28 0.00 0.00 0.00 179.25 179.87 1uw4 h VAL 888 N 0.89 1.24 -0.43 0.00 2.07 -1.66 -1.60 116.25 116.75 1uw4 h VAL 888 Ca 0.50 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1uw4 h VAL 888 Cb 0.61 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1uw4 h VAL 888 CO -0.27 0.29 0.13 0.40 0.02 0.00 0.00 177.57 178.14 1uw4 h ILE 889 N 0.91 1.22 -0.23 4.57 1.08 -1.20 -2.55 117.51 121.31 1uw4 h ILE 889 Ca 0.22 -0.73 -0.15 0.00 -0.39 0.00 0.00 64.86 63.80 1uw4 h ILE 889 Cb 0.19 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1uw4 h ILE 889 CO -0.02 0.26 -0.48 -0.26 -0.69 0.00 0.00 178.15 176.96 1uw4 h PHE 890 N 0.55 0.75 -0.51 1.37 0.04 -1.06 -0.77 116.94 117.32 1uw4 h PHE 890 Ca 0.14 -0.25 0.07 0.00 2.80 0.00 0.00 57.97 60.73 1uw4 h PHE 890 Cb 0.27 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 1uw4 h PHE 890 CO 0.01 0.98 0.19 -0.09 -0.60 0.00 0.00 178.31 178.80 1uw4 h ARG 891 N 0.49 0.36 -0.34 1.51 2.43 -1.30 -1.57 114.38 115.96 1uw4 h ARG 891 Ca 0.02 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1uw4 h ARG 891 Cb 1.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1uw4 h ARG 891 CO 0.10 0.24 -0.22 1.15 -1.51 0.00 0.00 179.97 179.73 1uw4 h THR 892 N 0.37 1.29 -0.30 0.20 2.02 -1.07 -1.87 112.91 113.56 1uw4 h THR 892 Ca 0.24 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1uw4 h THR 892 Cb 0.25 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1uw4 h THR 892 CO -0.24 0.44 0.14 -0.07 0.37 0.00 0.00 175.52 176.16 1uw4 h LEU 893 N 0.51 0.40 -1.34 2.58 3.38 -0.90 -1.94 115.31 117.99 1uw4 h LEU 893 Ca 0.07 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1uw4 h LEU 893 Cb 0.77 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1uw4 h LEU 893 CO 0.06 0.42 0.45 1.88 0.09 0.00 0.00 178.44 181.34 1uw4 h TYR 894 N 0.34 0.84 -0.39 1.13 0.05 -1.34 -2.63 116.97 114.96 1uw4 h TYR 894 Ca 0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 1uw4 h TYR 894 Cb 0.14 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1uw4 h TYR 894 CO -0.02 0.51 0.08 0.66 -1.05 0.00 0.00 178.16 178.35 1uw4 h SER 895 N 0.89 0.54 -0.12 3.88 4.64 -0.60 -0.69 113.55 122.09 1uw4 h SER 895 Ca 0.26 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1uw4 h SER 895 Cb -0.05 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1uw4 h SER 895 CO -0.06 0.56 -0.13 -0.26 -0.87 0.00 0.00 176.83 176.06 1uw4 h PHE 896 N 0.57 0.51 -0.01 4.77 0.04 -1.04 0.77 116.94 122.57 1uw4 h PHE 896 Ca 0.13 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1uw4 h PHE 896 Cb 0.24 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1uw4 h PHE 896 CO 0.01 0.60 -0.43 0.25 -0.60 0.00 0.00 178.31 178.14 1uw4 n THR 897 N -4.20 0.00 0.00 -1.55 -2.24 -0.83 -4.61 114.28 100.85 1uw4 n THR 897 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1uw4 n THR 897 Cb 0.32 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1uw4 n THR 897 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1uw4 n SER 898 N -0.76 2.44 -4.65 3.42 3.41 -0.32 -4.88 113.62 112.28 1uw4 n SER 898 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 1uw4 n SER 898 Cb 0.37 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1uw4 n SER 898 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1uw4 s PHE 899 N -1.25 2.21 -0.70 7.33 5.36 0.25 -2.01 117.98 129.17 1uw4 s PHE 899 Ca 0.00 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 1uw4 s PHE 899 Cb 0.00 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 1uw4 s PHE 899 CO 0.00 -3.02 0.00 0.41 -1.46 0.00 0.00 175.22 171.15 1uw4 n GLY 900 N 4.24 0.85 3.51 13.12 0.00 -1.26 -4.92 105.19 120.74 1uw4 n GLY 900 Ca 0.17 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.10 4.72 0.28 1.61 1.01 -0.85 -4.26 120.40 120.80 1uw4 s VAL 901 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1uw4 s VAL 901 Cb 0.00 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1uw4 s VAL 901 CO 0.00 0.32 1.52 0.20 0.00 0.00 0.00 175.10 177.14 1uw4 s ASN 902 N 1.57 6.49 0.00 3.32 0.01 -1.26 -4.89 114.94 120.18 1uw4 s ASN 902 Ca 0.06 2.83 0.19 0.00 -0.71 0.00 0.00 52.86 55.23 1uw4 s ASN 902 Cb -0.15 -2.63 0.91 0.00 0.41 0.00 0.00 41.25 39.79 1uw4 s ASN 902 CO 0.06 -0.82 1.57 -0.81 -1.51 0.00 0.00 177.10 175.60 1uw4 n PRO 903 N 2.17 0.22 0.00 -0.60 -0.04 -1.26 -1.55 135.00 133.94 1uw4 n PRO 903 Ca 0.07 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1uw4 n PRO 903 Cb 0.39 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.32 2.48 0.00 3.54 5.75 -1.26 -4.98 116.55 120.75 1uw4 n ASP 904 Ca 0.08 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1uw4 n ASP 904 Cb 0.16 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 1.32 0.55 3.83 6.12 0.00 -0.59 -5.05 105.19 111.36 1uw4 n GLY 905 Ca 0.14 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.08 6.51 0.74 1.61 1.04 -1.26 -4.82 113.70 115.44 1uw4 s SER 906 Ca 0.00 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 1uw4 s SER 906 Cb 0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1uw4 s SER 906 CO 0.00 -0.66 1.12 -2.16 0.98 0.00 0.00 173.24 172.52 1uw4 s PRO 907 N -3.79 2.32 0.29 4.02 0.04 -1.26 -4.19 135.00 132.43 1uw4 s PRO 907 Ca 0.61 1.38 0.03 0.00 0.04 0.00 0.00 61.00 63.06 1uw4 s PRO 907 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1uw4 s PRO 907 CO 0.27 -1.62 0.26 -1.54 0.04 0.00 0.00 177.00 174.41 1uw4 s SER 908 N -2.80 1.05 0.14 6.66 1.04 -1.04 -4.91 113.70 113.84 1uw4 s SER 908 Ca 0.66 -1.59 -0.18 0.00 0.48 0.00 0.00 55.95 55.32 1uw4 s SER 908 Cb -0.21 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1uw4 s SER 908 CO 0.49 -1.02 1.73 -1.28 0.98 0.00 0.00 173.24 174.14 1uw4 h SER 909 N 2.29 -0.03 1.18 7.02 0.87 -1.97 -2.50 113.55 120.41 1uw4 h SER 909 Ca -0.29 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1uw4 h SER 909 Cb 1.24 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1uw4 h SER 909 CO 0.42 0.02 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.19 1uw4 h LEU 910 N 0.13 0.00 -5.95 2.23 3.38 -1.91 -3.39 115.31 109.79 1uw4 h LEU 910 Ca 0.12 -0.10 -0.56 0.00 0.09 0.00 0.00 57.88 57.43 1uw4 h LEU 910 Cb 0.14 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.48 1uw4 h LEU 910 CO -0.18 0.05 -0.91 -0.67 0.09 0.00 0.00 178.44 176.82 1uw4 n ASP 911 N -2.39 1.97 -4.72 -0.43 2.03 -1.13 -5.03 116.55 106.85 1uw4 n ASP 911 Ca 0.03 -3.11 -0.30 0.00 0.52 0.00 0.00 54.79 51.93 1uw4 n ASP 911 Cb 0.47 -0.63 0.14 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.12 1.26 0.16 -0.67 0.04 -0.96 -2.51 135.00 130.21 1uw4 s PRO 912 Ca 0.39 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 1uw4 s PRO 912 Cb 0.21 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.98 1uw4 s PRO 912 CO -0.08 -2.23 1.61 -1.35 0.04 0.00 0.00 177.00 174.99 1uw4 h PRO 913 N -1.54 -0.26 -0.03 0.56 0.11 -1.96 -2.75 132.00 126.14 1uw4 h PRO 913 Ca -0.50 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uw4 h PRO 913 Cb 1.29 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1uw4 h PRO 913 CO 0.55 -0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.56 1uw4 n GLU 914 N -5.41 1.36 -2.47 1.05 1.02 -1.26 -4.74 120.64 110.19 1uw4 n GLU 914 Ca -0.00 -0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 56.20 1uw4 n GLU 914 Cb 0.32 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.97 2.49 -0.68 -0.32 2.46 -1.04 -4.85 115.29 111.39 1uw4 s HIS 915 Ca 0.39 0.54 0.11 0.00 0.47 0.00 0.00 55.06 56.58 1uw4 s HIS 915 Cb 0.20 -4.42 0.32 0.00 -0.13 0.00 0.00 32.58 28.54 1uw4 s HIS 915 CO 0.32 -1.75 1.26 1.28 -2.47 0.00 0.00 174.74 173.38 1uw4 n LEU 916 N 8.81 3.00 0.26 8.88 4.77 -1.26 -4.76 117.00 136.70 1uw4 n LEU 916 Ca 0.12 -2.21 0.13 0.00 -0.03 0.00 0.00 56.01 54.01 1uw4 n LEU 916 Cb 0.49 -0.27 0.73 0.00 -2.33 0.00 0.00 43.42 42.03 1uw4 n LEU 916 CO 0.71 0.70 0.98 0.15 -1.33 0.00 0.00 177.39 178.60 1uw4 h PHE 917 N 1.73 0.00 -0.76 -1.77 3.57 -1.99 -2.26 116.94 115.47 1uw4 h PHE 917 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1uw4 h PHE 917 Cb 0.85 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1uw4 h PHE 917 CO 0.25 0.12 0.49 0.00 -2.23 0.00 0.00 178.31 176.94 1uw4 h ARG 918 N 0.00 1.01 -0.39 1.11 2.47 -1.89 -1.09 114.38 115.60 1uw4 h ARG 918 Ca -0.00 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1uw4 h ARG 918 Cb 0.33 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1uw4 h ARG 918 CO 0.02 0.67 -0.10 0.82 0.56 0.00 0.00 179.97 181.93 1uw4 h ILE 919 N 1.03 1.25 -0.33 2.04 2.04 -1.76 -1.21 117.51 120.58 1uw4 h ILE 919 Ca 0.28 -1.11 -0.13 0.00 1.00 0.00 0.00 64.86 64.90 1uw4 h ILE 919 Cb -0.10 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1uw4 h ILE 919 CO -0.06 0.37 -0.31 0.03 0.00 0.00 0.00 178.15 178.19 1uw4 h ARG 920 N 0.62 0.79 -0.20 2.37 3.08 -1.43 -2.26 114.38 117.35 1uw4 h ARG 920 Ca 0.11 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1uw4 h ARG 920 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1uw4 h ARG 920 CO 0.03 1.04 0.12 -0.07 -1.07 0.00 0.00 179.97 180.02 1uw4 h LEU 921 N 0.56 0.24 -0.01 3.04 3.38 -1.03 -0.55 115.31 120.95 1uw4 h LEU 921 Ca 0.05 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1uw4 h LEU 921 Cb 0.88 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1uw4 h LEU 921 CO 0.08 0.22 -0.08 0.58 0.09 0.00 0.00 178.44 179.33 1uw4 h VAL 922 N 0.24 0.80 -0.33 1.22 2.07 -1.25 -2.38 116.25 116.62 1uw4 h VAL 922 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1uw4 h VAL 922 Cb 0.02 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1uw4 h VAL 922 CO -0.01 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.73 1uw4 h THR 924 N 0.46 1.21 -0.25 0.00 2.02 -0.66 -0.87 112.91 114.82 1uw4 h THR 924 Ca 0.12 -0.66 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 1uw4 h THR 924 Cb 0.05 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1uw4 h THR 924 CO -0.02 0.24 -0.24 0.40 0.37 0.00 0.00 175.52 176.27 1uw4 h ILE 925 N 0.59 1.31 -0.16 3.11 2.04 -0.95 -2.83 117.51 120.63 1uw4 h ILE 925 Ca 0.15 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1uw4 h ILE 925 Cb 0.21 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1uw4 h ILE 925 CO -0.01 0.44 0.01 -0.07 0.00 0.00 0.00 178.15 178.53 1uw4 h LEU 926 N 0.32 0.20 -0.40 1.44 3.38 -1.21 -1.67 115.31 117.38 1uw4 h LEU 926 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1uw4 h LEU 926 Cb 0.80 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1uw4 h LEU 926 CO 0.06 0.23 -0.30 0.44 0.09 0.00 0.00 178.44 178.96 1uw4 h ASP 927 N 0.22 0.00 0.09 -0.43 3.32 -1.06 -1.60 116.42 116.97 1uw4 h ASP 927 Ca 0.05 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.81 1uw4 h ASP 927 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1uw4 h ASP 927 CO 0.00 0.30 -1.60 0.74 -1.72 0.00 0.00 179.24 176.96 1uw4 h THR 928 N 0.00 0.84 0.00 0.35 2.02 -1.16 -3.43 112.91 111.52 1uw4 h THR 928 Ca -0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1uw4 h THR 928 Cb 1.08 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1uw4 h THR 928 CO 0.04 0.68 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1uw4 h GLY 930 N 0.00 0.00 2.00 0.00 0.00 -1.37 -2.58 103.07 101.12 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 -0.01 4.80 4.20 -1.90 -2.06 115.11 120.14 1uw4 h GLN 931 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uw4 h GLN 931 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1uw4 h GLN 931 CO 0.02 0.00 -0.08 0.66 -0.67 0.00 0.00 178.83 178.76 1uw4 n TYR 932 N -3.05 0.00 -1.80 2.96 4.02 -0.97 -4.20 117.16 114.11 1uw4 n TYR 932 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 1uw4 n TYR 932 Cb 0.10 -0.10 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 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 -0.65 3.07 0.46 -0.72 3.72 -0.78 -4.55 117.46 118.01 1uw4 n PHE 933 Ca 0.17 -2.56 0.05 0.00 -0.05 0.00 0.00 57.45 55.06 1uw4 n PHE 933 Cb 0.28 -1.17 -0.02 0.00 -0.94 0.00 0.00 39.48 37.62 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 -0.64 0.90 -4.21 4.37 5.75 -1.26 -3.65 116.55 117.81 1uw4 n ASP 934 Ca 0.55 -0.95 -0.19 0.00 -0.01 0.00 0.00 54.79 54.19 1uw4 n ASP 934 Cb 0.39 0.70 -0.12 0.00 -1.03 0.00 0.00 41.12 41.06 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 -1.62 0.92 6.36 0.11 0.52 -1.26 -4.81 118.95 119.18 1uw4 s ARG 935 Ca 0.06 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 1uw4 s ARG 935 Cb 0.08 -0.91 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1uw4 s ARG 935 CO 0.32 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1uw4 n GLY 936 N 0.99 2.61 0.23 -3.53 0.00 -1.26 -2.93 105.19 101.31 1uw4 n GLY 936 Ca -0.19 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 5.85 0.84 0.19 1.61 4.64 -1.99 -2.91 113.55 121.78 1uw4 h SER 937 Ca 0.00 -0.47 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1uw4 h SER 937 Cb 0.00 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1uw4 h SER 937 CO 0.00 1.24 -0.15 0.77 -0.87 0.00 0.00 176.83 177.82 1uw4 h SER 938 N 0.55 0.00 0.02 4.97 4.64 -1.91 -1.93 113.55 119.89 1uw4 h SER 938 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uw4 h SER 938 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1uw4 h SER 938 CO 0.12 0.15 -0.01 0.50 -0.87 0.00 0.00 176.83 176.72 1uw4 h LYS 939 N 0.00 -0.03 -0.94 4.77 3.64 -1.39 -1.18 116.57 121.44 1uw4 h LYS 939 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uw4 h LYS 939 Cb 0.29 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1uw4 h LYS 939 CO 0.02 0.06 0.60 -0.09 -2.27 0.00 0.00 179.45 177.77 1uw4 h ARG 940 N -0.11 1.25 -0.59 1.90 2.43 -1.44 -1.63 114.38 116.20 1uw4 h ARG 940 Ca -0.00 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1uw4 h ARG 940 Cb 0.10 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1uw4 h ARG 940 CO 0.01 0.85 0.11 0.87 -1.51 0.00 0.00 179.97 180.29 1uw4 h LYS 941 N 1.28 0.96 -0.32 0.20 1.57 -1.14 -0.64 116.57 118.48 1uw4 h LYS 941 Ca 0.34 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1uw4 h LYS 941 Cb -0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1uw4 h LYS 941 CO -0.07 0.90 -0.05 1.25 -0.57 0.00 0.00 179.45 180.92 1uw4 h LEU 942 N 0.86 0.60 -0.73 2.94 5.85 -1.14 -1.89 115.31 121.80 1uw4 h LEU 942 Ca 0.18 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1uw4 h LEU 942 Cb 0.40 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1uw4 h LEU 942 CO 0.01 0.80 0.43 0.44 -0.34 0.00 0.00 178.44 179.78 1uw4 h ASP 943 N 0.39 0.66 -0.42 1.25 3.32 -1.04 -0.97 116.42 119.61 1uw4 h ASP 943 Ca 0.09 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1uw4 h ASP 943 Cb 0.52 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1uw4 h ASP 943 CO 0.03 0.43 0.10 0.00 -1.72 0.00 0.00 179.24 178.08 1uw4 h PHE 945 N 0.54 1.05 -0.23 0.00 3.57 -0.91 -2.71 116.94 118.25 1uw4 h PHE 945 Ca 0.13 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1uw4 h PHE 945 Cb 0.31 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1uw4 h PHE 945 CO 0.02 0.72 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.66 1uw4 h LEU 946 N 1.08 0.34 -0.18 0.59 3.38 -1.09 0.17 115.31 119.61 1uw4 h LEU 946 Ca 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1uw4 h LEU 946 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1uw4 h LEU 946 CO -0.05 0.47 0.10 0.58 0.09 0.00 0.00 178.44 179.64 1uw4 h VAL 947 N 0.34 1.08 -0.70 1.22 2.07 -1.24 -1.27 116.25 117.75 1uw4 h VAL 947 Ca 0.07 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1uw4 h VAL 947 Cb 0.38 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1uw4 h VAL 947 CO 0.02 0.08 0.29 1.88 0.02 0.00 0.00 177.57 179.86 1uw4 h TYR 948 N 0.20 1.04 -0.61 1.57 0.05 -1.18 -2.90 116.97 115.14 1uw4 h TYR 948 Ca 0.06 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1uw4 h TYR 948 Cb 0.04 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 1uw4 h TYR 948 CO -0.05 0.79 0.19 0.35 -1.05 0.00 0.00 178.16 178.39 1uw4 h PHE 949 N 1.01 0.98 -0.47 4.88 3.57 -0.54 -1.67 116.94 124.70 1uw4 h PHE 949 Ca 0.24 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1uw4 h PHE 949 Cb 0.18 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1uw4 h PHE 949 CO 0.02 0.81 -0.06 1.96 -2.23 0.00 0.00 178.31 178.80 1uw4 h GLN 950 N 0.87 0.81 -0.42 1.11 4.20 -1.14 -0.86 115.11 119.67 1uw4 h GLN 950 Ca 0.20 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1uw4 h GLN 950 Cb 0.29 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1uw4 h GLN 950 CO -0.01 0.86 0.18 -0.09 -0.67 0.00 0.00 178.83 179.10 1uw4 h ARG 951 N 0.75 0.63 -0.59 1.46 2.43 -1.37 -1.81 114.38 115.87 1uw4 h ARG 951 Ca 0.13 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1uw4 h ARG 951 Cb 0.54 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 1uw4 h ARG 951 CO 0.03 0.57 0.27 -0.92 -1.51 0.00 0.00 179.97 178.41 1uw4 h TYR 952 N 0.54 0.48 -0.54 2.20 3.20 -0.76 0.05 116.97 122.14 1uw4 h TYR 952 Ca 0.14 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1uw4 h TYR 952 Cb 0.17 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1uw4 h TYR 952 CO -0.00 0.19 0.30 0.28 -1.64 0.00 0.00 178.16 177.29 1uw4 h VAL 953 N 0.49 1.18 -0.07 1.81 2.07 -1.08 -2.25 116.25 118.40 1uw4 h VAL 953 Ca 0.28 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1uw4 h VAL 953 Cb 0.26 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1uw4 h VAL 953 CO -0.23 0.19 -0.41 -0.50 0.02 0.00 0.00 177.57 176.64 1uw4 h TRP 954 N 0.72 0.17 -0.25 1.57 4.06 -0.67 -0.53 115.95 121.04 1uw4 h TRP 954 Ca 0.19 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.13 1uw4 h TRP 954 Cb 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 1uw4 h TRP 954 CO -0.02 0.54 0.04 -1.49 -3.56 0.00 0.00 178.44 173.95 1uw4 h TRP 955 N 0.13 0.06 -0.45 0.49 6.55 -0.80 -0.60 115.95 121.31 1uw4 h TRP 955 Ca 0.01 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.84 1uw4 h TRP 955 Cb 0.78 0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 29.07 1uw4 h TRP 955 CO 0.01 0.01 0.20 0.87 -1.05 0.00 0.00 178.44 178.47 1uw4 h LYS 956 N 0.13 0.67 -0.04 0.49 1.79 -1.06 -2.87 116.57 115.68 1uw4 h LYS 956 Ca 0.11 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1uw4 h LYS 956 Cb 0.12 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1uw4 h LYS 956 CO -0.16 0.60 -0.15 0.87 -1.08 0.00 0.00 179.45 179.52 1uw4 h LYS 957 N 0.59 0.06 -0.00 3.15 1.57 -0.99 -2.86 116.57 118.09 1uw4 h LYS 957 Ca 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1uw4 h LYS 957 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1uw4 h LYS 957 CO -0.02 0.22 -0.02 0.43 -0.57 0.00 0.00 179.45 179.49 1uw4 n SER 958 N -4.33 0.12 -4.75 0.86 7.64 -0.24 -4.87 113.62 108.04 1uw4 n SER 958 Ca -0.02 -0.48 -0.36 0.00 1.01 0.00 0.00 58.87 59.02 1uw4 n SER 958 Cb 0.24 -0.16 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.39 3.70 0.52 -3.43 1.43 -1.08 -4.91 118.68 112.52 1uw4 s LEU 959 Ca 0.34 2.43 0.30 0.00 -1.03 0.00 0.00 54.13 56.16 1uw4 s LEU 959 Cb 0.21 -4.55 1.34 0.00 0.03 0.00 0.00 46.19 43.22 1uw4 s LEU 959 CO 0.44 -1.56 1.99 1.05 0.23 0.00 0.00 176.35 178.50 1uw4 h GLU 960 N 1.01 0.00 -0.49 1.70 4.11 -1.91 -2.86 114.58 116.13 1uw4 h GLU 960 Ca -0.50 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.01 1uw4 h GLU 960 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1uw4 h GLU 960 CO 0.56 0.11 0.33 -0.24 0.07 0.00 0.00 179.01 179.83 1uw4 h VAL 961 N 0.00 0.91 -3.25 -1.06 3.04 -1.96 -3.41 116.25 110.52 1uw4 h VAL 961 Ca -0.00 -0.11 -0.58 0.00 -1.01 0.00 0.00 66.70 65.00 1uw4 h VAL 961 Cb 0.50 0.57 -0.07 0.00 -2.01 0.00 0.00 31.29 30.28 1uw4 h VAL 961 CO 0.01 0.06 0.52 0.26 -1.01 0.00 0.00 177.57 177.41 1uw4 s TRP 962 N -5.30 3.37 0.35 3.17 0.52 -1.08 -4.81 118.94 115.16 1uw4 s TRP 962 Ca -0.07 1.28 0.07 0.00 0.02 0.00 0.00 56.10 57.40 1uw4 s TRP 962 Cb 0.19 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 1uw4 s TRP 962 CO 0.73 -0.35 0.26 0.95 0.02 0.00 0.00 176.95 178.56 1uw4 s THR 963 N 2.63 0.09 0.23 2.01 -4.23 -0.50 -4.96 115.64 110.91 1uw4 s THR 963 Ca 0.39 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1uw4 s THR 963 Cb -0.16 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.40 1uw4 s THR 963 CO 0.09 0.00 1.83 0.11 -0.54 0.00 0.00 174.62 176.11 1uw4 h LYS 964 N 2.05 0.81 0.00 3.99 1.57 -1.99 -1.97 116.57 121.02 1uw4 h LYS 964 Ca -0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1uw4 h LYS 964 Cb 1.24 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1uw4 h LYS 964 CO 0.39 0.53 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.33 1uw4 h ASP 965 N 0.83 0.00 -2.05 0.86 3.32 -1.97 -3.38 116.42 114.02 1uw4 h ASP 965 Ca 0.34 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.82 1uw4 h ASP 965 Cb 0.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.34 1uw4 h ASP 965 CO -0.18 0.03 -1.07 1.57 -1.72 0.00 0.00 179.24 177.88 1uw4 n HIS 966 N -3.12 -0.20 -2.32 4.55 -0.00 -0.83 -5.13 115.22 108.17 1uw4 n HIS 966 Ca 0.02 -3.57 -0.34 0.00 0.46 0.00 0.00 57.72 54.30 1uw4 n HIS 966 Cb 0.43 -0.30 -0.01 0.00 -0.12 0.00 0.00 29.99 30.00 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 -1.12 3.53 0.26 1.57 0.04 -0.80 -1.41 135.00 137.08 1uw4 s PRO 967 Ca 0.35 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 1uw4 s PRO 967 Cb 0.15 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 1uw4 s PRO 967 CO -0.11 -0.66 1.28 0.34 0.04 0.00 0.00 177.00 177.89 1uw4 n PHE 968 N -1.38 1.94 -1.97 0.56 7.35 -1.26 -4.87 117.46 117.83 1uw4 n PHE 968 Ca 0.10 0.54 -0.42 0.00 -0.76 0.00 0.00 57.45 56.90 1uw4 n PHE 968 Cb 0.52 -2.39 -0.03 0.00 0.35 0.00 0.00 39.48 37.93 1uw4 n PHE 968 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1uw4 s PRO 969 N -0.94 4.20 0.46 -7.13 0.02 -1.26 -4.89 135.00 125.46 1uw4 s PRO 969 Ca 0.64 2.26 0.16 0.00 0.02 0.00 0.00 61.00 64.08 1uw4 s PRO 969 Cb -0.66 -3.73 1.05 0.00 0.02 0.00 0.00 34.50 31.18 1uw4 s PRO 969 CO 0.55 -0.76 2.00 0.97 -0.33 0.00 0.00 177.00 179.43 1uw4 h ILE 970 N 5.07 1.07 -0.50 2.83 6.09 -2.00 -2.51 117.51 127.55 1uw4 h ILE 970 Ca -0.41 -0.62 -0.06 0.00 -1.37 0.00 0.00 64.86 62.39 1uw4 h ILE 970 Cb 1.19 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 1uw4 h ILE 970 CO 0.93 0.17 0.08 0.44 -3.07 0.00 0.00 178.15 176.70 1uw4 h ASP 971 N 0.00 0.74 -0.36 2.19 3.32 -1.99 -1.20 116.42 119.12 1uw4 h ASP 971 Ca -0.00 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1uw4 h ASP 971 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1uw4 h ASP 971 CO 0.02 0.76 -0.05 0.40 -1.72 0.00 0.00 179.24 178.66 1uw4 h ILE 972 N 0.75 1.27 -0.48 0.35 1.08 -1.85 -1.96 117.51 116.68 1uw4 h ILE 972 Ca 0.16 -1.08 0.09 0.00 -0.39 0.00 0.00 64.86 63.64 1uw4 h ILE 972 Cb 0.35 1.25 -0.09 0.00 -3.07 0.00 0.00 36.82 35.26 1uw4 h ILE 972 CO 0.01 0.36 -0.10 0.44 -0.69 0.00 0.00 178.15 178.17 1uw4 h ASP 973 N 0.46 -0.40 -0.12 1.72 3.32 -1.29 -2.17 116.42 117.94 1uw4 h ASP 973 Ca 0.09 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1uw4 h ASP 973 Cb 0.54 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1uw4 h ASP 973 CO 0.03 -0.14 -0.22 1.88 -1.72 0.00 0.00 179.24 179.07 1uw4 h TYR 974 N 0.02 0.61 -0.46 4.55 0.05 -1.13 -2.05 116.97 118.56 1uw4 h TYR 974 Ca 0.23 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1uw4 h TYR 974 Cb 0.35 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1uw4 h TYR 974 CO -0.39 0.73 0.28 1.98 -1.05 0.00 0.00 178.16 179.70 1uw4 h MET 975 N 0.49 0.54 -0.08 4.88 4.05 -0.86 -1.36 114.93 122.59 1uw4 h MET 975 Ca 0.08 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1uw4 h MET 975 Cb 0.64 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1uw4 h MET 975 CO 0.05 0.36 -0.01 0.82 0.23 0.00 0.00 176.91 178.35 1uw4 h ILE 976 N 0.56 1.27 -0.49 1.77 2.04 -1.14 -2.31 117.51 119.21 1uw4 h ILE 976 Ca 0.18 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1uw4 h ILE 976 Cb 0.00 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1uw4 h ILE 976 CO -0.08 0.24 -0.11 0.77 0.00 0.00 0.00 178.15 178.97 1uw4 h SER 977 N -0.17 0.91 -0.60 1.72 4.64 -1.32 -1.14 113.55 117.59 1uw4 h SER 977 Ca 0.02 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1uw4 h SER 977 Cb 0.38 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1uw4 h SER 977 CO 0.01 1.03 0.19 0.44 -0.87 0.00 0.00 176.83 177.63 1uw4 h ASP 978 N 0.82 0.88 -0.15 4.97 3.32 -1.28 -0.63 116.42 124.35 1uw4 h ASP 978 Ca 0.13 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1uw4 h ASP 978 Cb 0.64 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1uw4 h ASP 978 CO 0.04 0.86 0.02 0.74 -1.72 0.00 0.00 179.24 179.18 1uw4 h THR 979 N 0.86 1.23 -0.24 0.35 2.02 -1.22 -2.49 112.91 113.42 1uw4 h THR 979 Ca 0.19 -0.74 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 1uw4 h THR 979 Cb 0.29 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1uw4 h THR 979 CO -0.01 0.22 -0.42 -0.07 0.37 0.00 0.00 175.52 175.61 1uw4 h LEU 980 N 0.01 0.78 -1.38 2.58 4.07 -1.12 -2.78 115.31 117.48 1uw4 h LEU 980 Ca 0.04 -0.53 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 1uw4 h LEU 980 Cb 0.32 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1uw4 h LEU 980 CO 0.00 1.17 -0.28 -0.33 -1.08 0.00 0.00 178.44 177.92 1uw4 h GLU 981 N 0.43 0.00 -0.36 1.13 5.08 -1.19 0.97 114.58 120.64 1uw4 h GLU 981 Ca 0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1uw4 h GLU 981 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1uw4 h GLU 981 CO 0.09 0.28 -0.14 1.25 -1.00 0.00 0.00 179.01 179.50 1uw4 h LEU 982 N 0.00 0.74 -0.14 1.33 5.85 -1.29 -2.92 115.31 118.88 1uw4 h LEU 982 Ca -0.00 -0.39 -0.23 0.00 0.84 0.00 0.00 57.88 58.10 1uw4 h LEU 982 Cb 0.62 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1uw4 h LEU 982 CO 0.04 0.97 -0.98 -0.07 -0.34 0.00 0.00 178.44 178.06 1uw4 h LEU 983 N 0.51 0.49 -6.44 2.25 3.38 -1.19 -3.41 115.31 110.91 1uw4 h LEU 983 Ca 0.08 -0.41 -0.54 0.00 0.09 0.00 0.00 57.88 57.10 1uw4 h LEU 983 Cb 0.67 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 40.90 1uw4 h LEU 983 CO 0.05 1.22 -0.86 -0.13 0.09 0.00 0.00 178.44 178.81 1uw4 s ARG 984 N -3.18 0.68 0.47 1.13 1.81 0.30 -5.02 118.95 115.14 1uw4 s ARG 984 Ca -0.05 -1.49 0.19 0.00 -1.72 0.00 0.00 55.73 52.67 1uw4 s ARG 984 Cb 0.09 -1.21 1.19 0.00 -0.45 0.00 0.00 34.95 34.57 1uw4 s ARG 984 CO 0.87 -1.27 1.96 -1.35 -0.68 0.00 0.00 175.30 174.83 1uw4 h PRO 985 N 6.55 0.23 -0.54 3.54 0.11 -1.74 -2.21 132.00 137.95 1uw4 h PRO 985 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1uw4 h PRO 985 Cb 0.97 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1uw4 h PRO 985 CO 0.28 0.15 0.00 1.63 -0.21 0.00 0.00 178.00 179.85 1uw4 n LYS 986 N -4.43 2.36 -1.80 1.05 5.02 -1.26 -4.96 118.16 114.13 1uw4 n LYS 986 Ca 0.12 -2.10 -0.39 0.00 -2.02 0.00 0.00 58.31 53.92 1uw4 n LYS 986 Cb 0.54 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1uw4 n LYS 986 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1uw4 s ILE 987 N -1.29 2.09 -0.39 -0.18 2.07 -0.83 -4.97 121.20 117.70 1uw4 s ILE 987 Ca 0.39 0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.48 1uw4 s ILE 987 Cb 0.21 -3.04 0.01 0.00 0.13 0.00 0.00 42.46 39.77 1uw4 s ILE 987 CO 0.28 0.01 0.79 -0.75 -1.91 0.00 0.00 174.94 173.36 1uw4 s LYS 988 N -2.61 3.67 -0.23 3.50 2.47 -1.26 -5.03 119.74 120.25 1uw4 s LYS 988 Ca 0.65 0.22 -0.28 0.00 -1.56 0.00 0.00 55.97 54.99 1uw4 s LYS 988 Cb -0.42 -3.84 0.01 0.00 -1.46 0.00 0.00 37.83 32.11 1uw4 s LYS 988 CO 0.53 -0.93 0.99 -0.51 0.16 0.00 0.00 175.35 175.59 1uw4 s LEU 989 N 3.17 4.09 0.36 5.43 1.43 -1.26 -5.02 118.68 126.89 1uw4 s LEU 989 Ca 0.31 1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 54.42 1uw4 s LEU 989 Cb -0.13 -3.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.53 1uw4 s LEU 989 CO 0.19 -0.63 1.44 0.00 0.23 0.00 0.00 176.35 177.57 1uw4 n ASN 991 N 0.68 3.00 -3.47 0.00 5.03 -1.26 -5.00 115.26 114.24 1uw4 n ASN 991 Ca 0.01 -1.88 -0.10 0.00 0.87 0.00 0.00 54.58 53.48 1uw4 n ASN 991 Cb 0.40 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 1uw4 n ASN 991 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1uw4 s SER 992 N -1.37 -0.46 0.23 6.41 1.04 -1.26 -5.03 113.70 113.25 1uw4 s SER 992 Ca 0.29 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1uw4 s SER 992 Cb 0.18 0.48 0.26 0.00 0.10 0.00 0.00 66.02 67.03 1uw4 s SER 992 CO 0.25 -0.75 1.89 0.25 0.98 0.00 0.00 173.24 175.86 1uw4 h LEU 993 N 2.07 0.96 -0.30 2.42 5.85 -1.94 -2.23 115.31 122.14 1uw4 h LEU 993 Ca -0.27 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1uw4 h LEU 993 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1uw4 h LEU 993 CO 0.34 0.67 0.15 -0.33 -0.34 0.00 0.00 178.44 178.94 1uw4 h GLU 994 N 1.13 0.31 -0.82 1.25 3.07 -1.99 -0.59 114.58 116.94 1uw4 h GLU 994 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1uw4 h GLU 994 Cb -0.03 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 1uw4 h GLU 994 CO -0.11 0.20 0.48 1.49 -1.40 0.00 0.00 179.01 179.68 1uw4 h GLU 995 N 0.32 1.12 -0.15 2.33 4.81 -1.88 -1.60 114.58 119.53 1uw4 h GLU 995 Ca 0.12 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1uw4 h GLU 995 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1uw4 h GLU 995 CO -0.08 0.80 -0.38 0.66 -0.73 0.00 0.00 179.01 179.28 1uw4 h SER 996 N 1.12 0.33 -0.25 1.04 4.64 -0.87 -2.16 113.55 117.40 1uw4 h SER 996 Ca 0.29 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 1uw4 h SER 996 Cb -0.02 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1uw4 h SER 996 CO -0.05 0.69 -0.48 0.40 -0.87 0.00 0.00 176.83 176.51 1uw4 h ILE 997 N 0.27 1.28 -0.70 0.95 2.04 -0.82 -2.73 117.51 117.79 1uw4 h ILE 997 Ca 0.03 -1.67 -0.06 0.00 1.00 0.00 0.00 64.86 64.15 1uw4 h ILE 997 Cb 0.80 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1uw4 h ILE 997 CO 0.06 0.55 0.19 0.03 0.00 0.00 0.00 178.15 178.98 1uw4 h ARG 998 N 0.65 1.10 -0.70 2.37 3.08 -1.06 0.93 114.38 120.76 1uw4 h ARG 998 Ca 0.03 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1uw4 h ARG 998 Cb 1.07 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 1uw4 h ARG 998 CO 0.11 0.96 0.43 1.96 -1.07 0.00 0.00 179.97 182.35 1uw4 h GLN 999 N 1.05 0.81 -0.36 0.04 4.20 -1.35 0.15 115.11 119.66 1uw4 h GLN 999 Ca 0.23 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1uw4 h GLN 999 Cb 0.33 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1uw4 h GLN 999 CO -0.00 0.53 -0.08 0.28 -0.67 0.00 0.00 178.83 178.90 1uw4 h VAL 1000N 0.83 1.28 -0.39 -0.54 2.07 -1.09 -1.98 116.25 116.43 1uw4 h VAL 1000Ca 0.28 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1uw4 h VAL 1000Cb 0.04 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1uw4 h VAL 1000CO -0.12 0.37 0.26 1.56 0.02 0.00 0.00 177.57 179.66 1uw4 h GLN 1001N 0.48 0.52 -0.79 1.57 4.20 -0.41 -0.35 115.11 120.32 1uw4 h GLN 1001Ca 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1uw4 h GLN 1001Cb 0.58 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1uw4 h GLN 1001CO 0.03 0.35 0.49 -0.44 -0.67 0.00 0.00 178.83 178.59 1uw4 h ASP 1002N 0.53 0.94 -0.57 1.46 3.32 -0.92 -1.48 116.42 119.70 1uw4 h ASP 1002Ca 0.14 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1uw4 h ASP 1002Cb -0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1uw4 h ASP 1002CO -0.03 0.71 0.15 0.25 -1.72 0.00 0.00 179.24 178.59 1uw4 h LEU 1003N 1.08 0.86 -0.95 1.55 5.85 -1.01 -2.82 115.31 119.87 1uw4 h LEU 1003Ca 0.29 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1uw4 h LEU 1003Cb -0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1uw4 h LEU 1003CO -0.06 0.86 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.33 1uw4 h GLU 1004N 0.81 0.00 -0.41 1.25 5.08 -0.70 -2.24 114.58 118.37 1uw4 h GLU 1004Ca 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1uw4 h GLU 1004Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1uw4 h GLU 1004CO 0.00 0.25 0.08 -0.09 -1.00 0.00 0.00 179.01 178.25 1uw4 h ARG 1005N 0.00 0.67 -0.19 2.33 2.43 -1.09 -1.02 114.38 117.50 1uw4 h ARG 1005Ca -0.00 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1uw4 h ARG 1005Cb 0.83 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1uw4 h ARG 1005CO 0.03 0.70 -0.03 0.93 -1.51 0.00 0.00 179.97 180.09 1uw4 h GLU 1006N 0.52 0.02 -0.10 0.20 5.08 -1.20 -1.98 114.58 117.13 1uw4 h GLU 1006Ca 0.13 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1uw4 h GLU 1006Cb 0.35 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1uw4 h GLU 1006CO 0.01 0.01 -0.08 0.74 -1.00 0.00 0.00 179.01 178.69 1uw4 h PHE 1007N 0.02 -0.19 -0.65 4.33 0.04 -1.27 -1.90 116.94 117.32 1uw4 h PHE 1007Ca 0.09 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.00 1uw4 h PHE 1007Cb 0.13 0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.29 1uw4 h PHE 1007CO -0.20 -0.13 0.17 1.25 -0.60 0.00 0.00 178.31 178.81 1uw4 h LEU 1008N -0.09 0.06 -0.06 1.54 5.85 -1.01 0.13 115.31 121.73 1uw4 h LEU 1008Ca 0.07 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1uw4 h LEU 1008Cb 0.19 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1uw4 h LEU 1008CO -0.15 0.03 -0.04 0.40 -0.34 0.00 0.00 178.44 178.33 1uw4 h ILE 1009N 0.30 0.88 -0.95 4.05 2.04 -0.94 -1.53 117.51 121.35 1uw4 h ILE 1009Ca 0.35 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.26 1uw4 h ILE 1009Cb 0.52 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1uw4 h ILE 1009CO -0.41 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.46 1uw4 h LYS 1010N -0.04 1.09 0.00 2.37 1.57 -0.49 -2.92 116.57 118.16 1uw4 h LYS 1010Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1uw4 h LYS 1010Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1uw4 h LYS 1010CO -0.09 0.72 0.00 -0.07 -0.57 0.00 0.00 179.45 179.44 1uw4 h LEU 1011N 1.12 0.00 0.36 2.94 3.38 -0.40 -3.48 115.31 119.23 1uw4 h LEU 1011Ca 0.41 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.05 1uw4 h LEU 1011Cb 0.14 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.95 1uw4 h LEU 1011CO -0.16 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.48 1uw4 n GLY 1012N 1.16 -0.26 0.23 0.83 0.00 -0.61 -4.92 105.19 101.61 1uw4 n GLY 1012Ca 0.05 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.33 0.00 0.00 0.99 3.38 -1.88 -3.39 115.31 113.08 1uw4 h LEU 1013Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1uw4 h LEU 1013Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1uw4 h LEU 1013CO 0.45 0.00 -0.60 0.52 0.09 0.00 0.00 178.44 178.90 1uw4 n VAL 1014N -2.94 0.06 1.46 1.22 0.31 -1.26 -5.19 118.33 111.98 1uw4 n VAL 1014Ca 0.03 0.02 0.14 0.00 -0.01 0.00 0.00 64.34 64.51 1uw4 n VAL 1014Cb 0.40 -1.15 0.49 0.00 -0.91 0.00 0.00 33.84 32.67 1uw4 n VAL 1014CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10