#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1b s ASP 844 N 0.00 3.70 0.00 4.37 1.01 -1.26 -3.64 116.67 120.85 3n1b s ASP 844 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.36 3n1b s ASP 844 Cb 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 42.92 43.61 3n1b s ASP 844 CO 0.00 -2.34 0.00 1.41 0.21 0.00 0.00 175.17 174.45 3n1b n HIS 845 N -3.39 0.00 -0.10 4.23 8.25 -1.26 -4.50 115.22 118.46 3n1b n HIS 845 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 3n1b n HIS 845 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 3n1b n HIS 845 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3n1b h ILE 846 N 0.00 1.29 0.00 1.59 1.08 -2.00 -2.47 117.51 117.01 3n1b h ILE 846 Ca 0.00 -1.22 -0.10 0.00 -0.39 0.00 0.00 64.86 63.14 3n1b h ILE 846 Cb 0.00 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3n1b h ILE 846 CO 0.00 0.39 -0.48 0.74 -0.69 0.00 0.00 178.15 178.11 3n1b h THR 847 N 0.35 1.21 0.00 -0.27 2.02 -1.79 -1.32 112.91 113.11 3n1b h THR 847 Ca 0.07 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3n1b h THR 847 Cb 0.65 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3n1b h THR 847 CO 0.04 0.47 0.00 1.17 0.37 0.00 0.00 175.52 177.57 3n1b n LYS 848 N -3.77 0.90 -0.02 6.66 4.81 -1.10 -1.49 118.16 124.15 3n1b n LYS 848 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.40 3n1b n LYS 848 Cb 0.53 -1.17 -0.02 0.00 0.02 0.00 0.00 35.03 34.39 3n1b n LYS 848 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3n1b n ASP 849 N -0.67 3.76 0.00 3.14 2.03 -0.72 -4.42 116.55 119.67 3n1b n ASP 849 Ca 0.07 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3n1b n ASP 849 Cb 0.03 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 3n1b n ASP 849 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3n1b n TYR 850 N -2.52 0.00 0.08 -0.67 9.36 -0.58 -3.35 117.16 119.48 3n1b n TYR 850 Ca -0.07 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.15 3n1b n TYR 850 Cb 0.59 -0.33 0.04 0.00 -0.63 0.00 0.00 39.34 39.02 3n1b n TYR 850 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3n1b n HIS 851 N -1.48 0.00 -0.00 2.98 8.25 -0.56 -0.73 115.22 123.68 3n1b n HIS 851 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3n1b n HIS 851 Cb 0.00 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.66 3n1b n HIS 851 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3n1b n ASP 852 N -1.28 0.15 0.00 0.41 -0.08 -1.22 -4.62 116.55 109.91 3n1b n ASP 852 Ca 0.01 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3n1b n ASP 852 Cb 0.01 1.97 0.00 0.00 2.34 0.00 0.00 41.12 45.44 3n1b n ASP 852 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3n1b n HIS 853 N -2.23 0.00 -0.04 -0.67 1.44 -0.85 -4.66 115.22 108.21 3n1b n HIS 853 Ca -0.04 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.64 3n1b n HIS 853 Cb 0.55 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.88 3n1b n HIS 853 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3n1b h ILE 854 N 0.00 1.24 0.00 0.61 2.10 -1.14 0.13 117.51 120.45 3n1b h ILE 854 Ca 0.00 -1.02 -0.06 0.00 1.08 0.00 0.00 64.86 64.86 3n1b h ILE 854 Cb 0.00 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.77 3n1b h ILE 854 CO 0.00 0.34 -0.28 0.00 -1.08 0.00 0.00 178.15 177.13 3n1b h ALA 855 N 1.34 0.97 0.00 0.18 0.00 -1.82 -2.37 119.26 117.57 3n1b h ALA 855 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3n1b h ALA 855 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3n1b h ALA 855 CO 0.03 0.36 -0.37 0.93 0.00 0.00 0.00 179.25 180.20 3n1b h GLU 856 N 0.00 0.00 0.00 0.00 5.08 -1.45 -2.80 114.58 115.40 3n1b h GLU 856 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3n1b h GLU 856 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3n1b h GLU 856 CO 0.04 0.37 -0.38 0.82 -1.00 0.00 0.00 179.01 178.86 3n1b h ILE 857 N 0.00 0.84 0.00 3.13 2.04 -0.29 -2.67 117.51 120.55 3n1b h ILE 857 Ca -0.00 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.24 3n1b h ILE 857 Cb 1.21 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3n1b h ILE 857 CO 0.05 0.37 -0.19 0.28 0.00 0.00 0.00 178.15 178.66 3n1b h SER 858 N 0.00 0.00 -0.89 1.72 0.02 -1.19 -2.75 113.55 110.46 3n1b h SER 858 Ca -0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3n1b h SER 858 Cb 0.95 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 3n1b h SER 858 CO 0.05 0.19 0.58 0.00 -1.14 0.00 0.00 176.83 176.50 3n1b h ALA 859 N 1.81 1.54 -0.12 3.77 0.00 -1.50 0.15 119.26 124.91 3n1b h ALA 859 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3n1b h ALA 859 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3n1b h ALA 859 CO 0.02 0.33 -0.36 0.87 0.00 0.00 0.00 179.25 180.11 3n1b h LYS 860 N 0.99 0.26 -0.22 0.00 1.57 -1.63 -0.69 116.57 116.85 3n1b h LYS 860 Ca 0.38 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3n1b h LYS 860 Cb 0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3n1b h LYS 860 CO -0.14 0.59 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.10 3n1b h LEU 861 N 0.22 0.52 -0.69 2.94 3.38 -1.00 -1.94 115.31 118.75 3n1b h LEU 861 Ca 0.03 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3n1b h LEU 861 Cb 0.74 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3n1b h LEU 861 CO 0.06 0.85 0.31 0.58 0.09 0.00 0.00 178.44 180.33 3n1b h VAL 862 N 0.20 1.23 -0.79 1.22 2.07 -0.64 -2.60 116.25 116.95 3n1b h VAL 862 Ca 0.04 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3n1b h VAL 862 Cb 0.67 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3n1b h VAL 862 CO 0.04 0.28 0.51 0.00 0.02 0.00 0.00 177.57 178.43 3n1b h ALA 863 N 1.15 1.01 0.00 1.67 0.00 -1.08 0.67 119.26 122.67 3n1b h ALA 863 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3n1b h ALA 863 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3n1b h ALA 863 CO -0.03 0.37 0.00 -0.89 0.00 0.00 0.00 179.25 178.71 3n1b n ILE 864 N -4.56 0.00 0.00 0.00 5.41 -0.73 -1.21 119.36 118.27 3n1b n ILE 864 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3n1b n ILE 864 Cb 0.04 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 3n1b n ILE 864 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3n1b n ASP 866 N 0.29 0.00 0.01 4.38 2.03 0.23 -2.68 116.55 120.81 3n1b n ASP 866 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 3n1b n ASP 866 Cb 0.00 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.54 3n1b n ASP 866 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3n1b h SER 867 N 0.00 0.53 -0.05 1.67 0.02 -1.39 -1.82 113.55 112.51 3n1b h SER 867 Ca 0.00 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3n1b h SER 867 Cb 0.00 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3n1b h SER 867 CO 0.00 0.86 -0.08 0.25 -1.14 0.00 0.00 176.83 176.72 3n1b h LEU 868 N 0.43 0.16 -0.54 5.07 5.85 -1.76 -2.75 115.31 121.77 3n1b h LEU 868 Ca 0.04 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3n1b h LEU 868 Cb 0.85 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3n1b h LEU 868 CO 0.07 0.65 0.32 -0.26 -0.34 0.00 0.00 178.44 178.89 3n1b h PHE 869 N -0.33 0.71 -0.87 1.25 0.04 -1.86 -1.26 116.94 114.62 3n1b h PHE 869 Ca 0.01 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3n1b h PHE 869 Cb 0.62 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 3n1b h PHE 869 CO 0.10 0.49 0.57 0.22 -0.60 0.00 0.00 178.31 179.09 3n1b h ASP 870 N 0.72 0.83 0.14 2.17 3.58 -1.37 0.06 116.42 122.55 3n1b h ASP 870 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3n1b h ASP 870 Cb -0.01 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3n1b h ASP 870 CO -0.04 0.52 -0.07 0.50 -2.88 0.00 0.00 179.24 177.28 3n1b h LYS 871 N 0.93 -0.18 -0.03 0.28 3.64 -1.11 -3.17 116.57 116.94 3n1b h LYS 871 Ca 0.39 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 3n1b h LYS 871 Cb 0.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3n1b h LYS 871 CO -0.15 0.28 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.14 3n1b h LEU 872 N -0.82 0.15 -1.99 5.20 3.38 -1.12 -3.23 115.31 116.89 3n1b h LEU 872 Ca -0.02 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3n1b h LEU 872 Cb 0.54 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3n1b h LEU 872 CO 0.03 0.74 -0.04 -0.07 0.09 0.00 0.00 178.44 179.19 3n1b h LEU 873 N -0.44 0.00 -0.81 1.67 3.38 -1.17 -1.17 115.31 116.78 3n1b h LEU 873 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n1b h LEU 873 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3n1b h LEU 873 CO 0.02 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.88 3n1b h SER 874 N 0.00 0.00 0.00 -0.43 0.02 -1.56 -2.88 113.55 108.70 3n1b h SER 874 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n1b h SER 874 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3n1b h SER 874 CO 0.01 0.00 -0.02 0.29 -1.14 0.00 0.00 176.83 175.96 3n1b n LYS 875 N -2.49 2.06 -2.17 3.45 5.02 -0.50 -5.04 118.16 118.49 3n1b n LYS 875 Ca 0.02 -1.77 -0.42 0.00 -2.02 0.00 0.00 58.31 54.12 3n1b n LYS 875 Cb 0.28 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 3n1b n LYS 875 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3n1b s TYR 876 N -1.51 2.82 -0.11 2.13 5.04 -0.82 -5.02 117.35 119.87 3n1b s TYR 876 Ca 0.11 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.50 3n1b s TYR 876 Cb 0.09 -3.72 -0.01 0.00 0.35 0.00 0.00 41.96 38.68 3n1b s TYR 876 CO 0.01 -2.68 -0.16 -1.21 -1.34 0.00 0.00 175.55 170.17 3n1b s GLU 877 N 2.30 3.19 -0.46 4.97 2.02 -1.26 -5.05 118.70 124.40 3n1b s GLU 877 Ca 0.66 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 3n1b s GLU 877 Cb -0.33 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3n1b s GLU 877 CO 0.28 0.26 1.21 0.08 0.02 0.00 0.00 175.26 177.11 3n1b s VAL 878 N 0.20 4.12 0.09 2.63 1.01 -1.26 -4.96 120.40 122.23 3n1b s VAL 878 Ca -0.10 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.75 3n1b s VAL 878 Cb -0.16 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.80 3n1b s VAL 878 CO 0.06 -0.96 0.95 -1.59 0.00 0.00 0.00 175.10 173.56 3n1b s LYS 879 N 4.61 1.02 0.51 2.72 -2.85 -1.26 -5.03 119.74 119.46 3n1b s LYS 879 Ca 0.51 -0.51 -0.09 0.00 -1.00 0.00 0.00 55.97 54.88 3n1b s LYS 879 Cb -0.09 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 3n1b s LYS 879 CO 0.32 -0.46 0.87 0.00 0.10 0.00 0.00 175.35 176.18 3n1b s ALA 880 N -3.19 3.27 0.98 0.59 0.00 -1.26 -4.61 121.76 117.54 3n1b s ALA 880 Ca 0.10 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 3n1b s ALA 880 Cb -0.01 -2.81 0.22 0.00 0.00 0.00 0.00 23.12 20.53 3n1b s ALA 880 CO -0.02 -0.37 1.34 -2.14 0.00 0.00 0.00 175.76 174.56 3n1b s PRO 881 N -4.63 0.41 -0.00 0.00 0.02 -1.26 -5.09 135.00 124.45 3n1b s PRO 881 Ca 0.51 -0.57 0.02 0.00 0.02 0.00 0.00 61.00 60.98 3n1b s PRO 881 Cb -0.10 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 3n1b s PRO 881 CO 0.44 -2.54 -0.05 0.14 -0.33 0.00 0.00 177.00 174.65 3n1b s VAL 882 N -3.92 0.41 0.37 3.83 -7.23 -1.26 -3.59 120.40 109.01 3n1b s VAL 882 Ca 0.76 -0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.40 3n1b s VAL 882 Cb -0.02 -0.36 -0.11 0.00 0.56 0.00 0.00 36.38 36.45 3n1b s VAL 882 CO 0.53 0.10 1.47 -2.16 -0.31 0.00 0.00 175.10 174.73 3n1b s PRO 883 N -0.18 4.14 0.74 4.82 0.04 -1.26 -5.02 135.00 138.27 3n1b s PRO 883 Ca 0.02 2.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 3n1b s PRO 883 Cb -0.02 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.57 3n1b s PRO 883 CO -0.00 -0.50 1.08 -1.54 0.04 0.00 0.00 177.00 176.07 3n1b s SER 884 N -0.15 4.92 0.30 6.66 1.04 -1.24 -4.82 113.70 120.41 3n1b s SER 884 Ca 0.53 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.68 3n1b s SER 884 Cb -0.46 -2.49 0.57 0.00 0.10 0.00 0.00 66.02 63.74 3n1b s SER 884 CO 0.61 -1.75 1.87 -0.65 0.98 0.00 0.00 173.24 174.31 3n1b h PRO 885 N -0.93 0.96 0.47 4.02 0.11 -1.96 -0.73 132.00 133.94 3n1b h PRO 885 Ca -0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3n1b h PRO 885 Cb 1.22 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3n1b h PRO 885 CO 0.54 0.63 -0.27 0.00 -0.21 0.00 0.00 178.00 178.70 3n1b h PHE 887 N -0.70 1.22 -0.74 0.00 -1.00 -1.85 -0.69 116.94 113.18 3n1b h PHE 887 Ca -0.06 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 3n1b h PHE 887 Cb 0.56 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3n1b h PHE 887 CO -0.08 0.92 0.38 0.00 -1.61 0.00 0.00 178.31 177.91 3n1b h ARG 888 N 1.17 1.05 -0.47 1.51 3.08 -1.03 0.15 114.38 119.83 3n1b h ARG 888 Ca 0.27 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3n1b h ARG 888 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3n1b h ARG 888 CO -0.02 0.80 0.31 -0.97 -1.07 0.00 0.00 179.97 179.02 3n1b h ASN 889 N 1.03 0.54 -0.13 7.04 -0.00 -0.69 -2.12 115.58 121.24 3n1b h ASN 889 Ca 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 3n1b h ASN 889 Cb 0.08 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 3n1b h ASN 889 CO -0.04 0.39 0.08 0.40 -0.00 0.00 0.00 177.43 178.27 3n1b h ILE 890 N 0.64 1.05 -0.69 2.57 2.04 -0.34 -2.50 117.51 120.28 3n1b h ILE 890 Ca 0.17 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3n1b h ILE 890 Cb -0.07 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3n1b h ILE 890 CO -0.04 0.05 0.24 0.00 0.00 0.00 0.00 178.15 178.40 3n1b h LYS 892 N 1.01 0.20 -1.65 0.00 3.64 -1.20 0.23 116.57 118.80 3n1b h LYS 892 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3n1b h LYS 892 Cb 0.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3n1b h LYS 892 CO -0.01 0.16 0.00 1.04 -2.27 0.00 0.00 179.45 178.37 3n1b n GLN 893 N -4.97 0.12 0.00 1.90 1.13 -0.96 -0.91 117.38 113.69 3n1b n GLN 893 Ca -0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3n1b n GLN 893 Cb 0.04 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3n1b n GLN 893 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3n1b n THR 895 N 0.88 0.00 0.05 5.09 -1.04 0.07 -4.57 114.28 114.75 3n1b n THR 895 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3n1b n THR 895 Cb 0.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 3n1b n THR 895 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3n1b n LYS 896 N 0.00 0.05 0.00 -2.82 4.76 -0.09 -0.97 118.16 119.09 3n1b n LYS 896 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3n1b n LYS 896 Cb 0.00 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 3n1b n LYS 896 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3n1b n HIS 898 N 0.82 0.00 0.03 2.13 -0.00 -1.26 -1.96 115.22 114.98 3n1b n HIS 898 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 3n1b n HIS 898 Cb 0.02 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.25 3n1b n HIS 898 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3n1b h GLU 899 N 0.00 0.44 -0.01 1.57 5.08 -1.45 0.63 114.58 120.84 3n1b h GLU 899 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3n1b h GLU 899 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3n1b h GLU 899 CO 0.00 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 3n1b n ALA 900 N -2.48 2.64 0.00 3.43 0.00 -0.83 -4.17 120.51 119.10 3n1b n ALA 900 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3n1b n ALA 900 Cb 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3n1b n ALA 900 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3n1b n ILE 901 N -0.71 0.00 -0.20 0.00 5.41 -0.98 -4.79 119.36 118.08 3n1b n ILE 901 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.96 3n1b n ILE 901 Cb 0.14 -0.29 0.12 0.00 -0.71 0.00 0.00 39.64 38.90 3n1b n ILE 901 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3n1b h PHE 902 N 0.00 0.16 0.00 1.39 3.57 -1.05 0.13 116.94 121.15 3n1b h PHE 902 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3n1b h PHE 902 Cb 0.29 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3n1b h PHE 902 CO 0.00 -0.07 0.00 -0.25 -2.23 0.00 0.00 178.31 175.76 3n1b n ASP 903 N -5.17 0.08 0.00 0.41 8.00 -1.26 -3.83 116.55 114.79 3n1b n ASP 903 Ca 0.10 0.51 -0.22 0.00 0.71 0.00 0.00 54.79 55.89 3n1b n ASP 903 Cb 0.35 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 3n1b n ASP 903 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3n1b h LEU 904 N 0.00 0.40 -9.55 0.64 5.85 -1.07 -3.48 115.31 108.11 3n1b h LEU 904 Ca 0.00 -0.93 -0.60 0.00 0.84 0.00 0.00 57.88 57.19 3n1b h LEU 904 Cb 0.49 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 3n1b h LEU 904 CO 0.00 1.83 -0.64 -0.76 -0.34 0.00 0.00 178.44 178.53 3n1b s LEU 905 N -7.12 3.40 0.65 2.25 1.43 -0.81 -5.11 118.68 113.37 3n1b s LEU 905 Ca -0.22 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 3n1b s LEU 905 Cb 0.06 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3n1b s LEU 905 CO 0.76 0.09 1.30 -2.84 0.23 0.00 0.00 176.35 175.89 3n1b s PRO 906 N -2.96 2.54 0.24 1.29 0.02 -1.26 -4.76 135.00 130.11 3n1b s PRO 906 Ca 0.28 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.33 3n1b s PRO 906 Cb -0.09 -1.85 0.44 0.00 0.02 0.00 0.00 34.50 33.02 3n1b s PRO 906 CO 0.19 -1.61 1.74 1.49 -0.33 0.00 0.00 177.00 178.48 3n1b h GLU 907 N 0.55 0.45 -0.50 5.54 4.81 -1.99 0.16 114.58 123.60 3n1b h GLU 907 Ca -0.51 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3n1b h GLU 907 Cb 1.34 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3n1b h GLU 907 CO 0.53 0.30 0.33 1.49 -0.73 0.00 0.00 179.01 180.93 3n1b h GLU 908 N 0.46 0.60 -0.16 1.92 4.81 -1.96 -0.12 114.58 120.13 3n1b h GLU 908 Ca 0.40 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.40 3n1b h GLU 908 Cb 0.59 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3n1b h GLU 908 CO -0.38 0.40 -0.69 1.96 -0.73 0.00 0.00 179.01 179.56 3n1b h GLN 909 N 0.62 0.67 -0.63 1.92 1.08 -1.35 -3.11 115.11 114.31 3n1b h GLN 909 Ca 0.19 -0.50 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 3n1b h GLN 909 Cb 0.02 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 3n1b h GLN 909 CO -0.05 1.12 0.08 1.15 -0.95 0.00 0.00 178.83 180.19 3n1b h THR 910 N 0.48 1.26 0.00 -0.54 2.02 -0.48 -0.50 112.91 115.15 3n1b h THR 910 Ca -0.03 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3n1b h THR 910 Cb 1.29 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3n1b h THR 910 CO 0.14 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.41 3n1b n GLN 911 N -4.21 0.42 0.00 6.66 6.02 -0.14 -1.78 117.38 124.35 3n1b n GLN 911 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3n1b n GLN 911 Cb 0.30 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.33 3n1b n GLN 911 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3n1b n LEU 913 N 0.42 0.00 0.18 1.08 7.94 -0.20 -1.90 117.00 124.52 3n1b n LEU 913 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3n1b n LEU 913 Cb 0.13 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.41 3n1b n LEU 913 CO 0.00 0.00 0.86 -0.26 -1.11 0.00 0.00 177.39 176.88 3n1b h PHE 914 N 0.00 0.00 -0.33 1.96 0.04 -1.61 -1.23 116.94 115.77 3n1b h PHE 914 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3n1b h PHE 914 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3n1b h PHE 914 CO 0.00 0.00 -0.43 -0.07 -0.60 0.00 0.00 178.31 177.21 3n1b h LEU 915 N 0.00 0.96 -0.46 1.54 3.38 -1.64 -0.72 115.31 118.37 3n1b h LEU 915 Ca 0.00 -0.49 -0.17 0.00 0.09 0.00 0.00 57.88 57.31 3n1b h LEU 915 Cb 0.82 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3n1b h LEU 915 CO 0.00 1.26 -0.54 0.03 0.09 0.00 0.00 178.44 179.28 3n1b h ARG 916 N 0.68 0.65 -0.21 1.13 3.08 -1.78 -0.88 114.38 117.04 3n1b h ARG 916 Ca 0.04 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3n1b h ARG 916 Cb 1.03 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3n1b h ARG 916 CO 0.10 1.03 0.03 0.82 -1.07 0.00 0.00 179.97 180.88 3n1b h ILE 917 N 0.50 1.23 -0.72 2.04 2.04 -1.23 -1.29 117.51 120.07 3n1b h ILE 917 Ca 0.01 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.16 3n1b h ILE 917 Cb 1.11 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 3n1b h ILE 917 CO 0.11 0.24 0.48 -1.13 0.00 0.00 0.00 178.15 177.84 3n1b h ASN 918 N 0.15 0.72 -0.43 1.72 -1.24 -1.08 0.29 115.58 115.69 3n1b h ASN 918 Ca 0.06 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 3n1b h ASN 918 Cb 0.33 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 3n1b h ASN 918 CO 0.00 0.48 0.22 0.00 -1.29 0.00 0.00 177.43 176.85 3n1b h ALA 919 N 1.59 0.56 -0.78 1.57 0.00 -0.74 0.12 119.26 121.58 3n1b h ALA 919 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3n1b h ALA 919 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3n1b h ALA 919 CO -0.09 0.10 0.40 1.03 0.00 0.00 0.00 179.25 180.70 3n1b h SER 920 N 0.56 0.99 -0.08 0.00 0.87 -0.58 -1.08 113.55 114.23 3n1b h SER 920 Ca 0.15 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3n1b h SER 920 Cb 0.09 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3n1b h SER 920 CO -0.02 0.82 -0.02 0.22 -0.53 0.00 0.00 176.83 177.30 3n1b h TYR 921 N 1.08 -0.05 -0.73 2.24 5.03 -0.36 -2.32 116.97 121.86 3n1b h TYR 921 Ca 0.27 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 3n1b h TYR 921 Cb 0.07 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 3n1b h TYR 921 CO 0.01 -0.04 0.36 0.87 -1.32 0.00 0.00 178.16 178.03 3n1b h LYS 922 N -0.01 1.04 0.06 1.82 1.57 -0.58 -1.87 116.57 118.60 3n1b h LYS 922 Ca 0.04 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3n1b h LYS 922 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3n1b h LYS 922 CO -0.09 0.79 -0.09 1.25 -0.57 0.00 0.00 179.45 180.75 3n1b h LEU 923 N 1.03 -0.24 -0.32 2.94 7.12 -0.83 -0.93 115.31 124.08 3n1b h LEU 923 Ca 0.25 0.03 -0.19 0.00 0.13 0.00 0.00 57.88 58.11 3n1b h LEU 923 Cb 0.09 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 3n1b h LEU 923 CO -0.03 -0.14 -0.85 0.45 -0.13 0.00 0.00 178.44 177.74 3n1b h HIS 924 N -0.19 0.18 -0.10 1.25 3.86 -1.33 -2.78 115.15 116.05 3n1b h HIS 924 Ca 0.01 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3n1b h HIS 924 Cb 0.20 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 3n1b h HIS 924 CO -0.12 0.91 -0.06 1.25 0.86 0.00 0.00 177.93 180.77 3n1b h LEU 925 N 0.07 0.22 -1.12 2.43 5.85 -1.29 -2.13 115.31 119.33 3n1b h LEU 925 Ca -0.03 -0.42 0.17 0.00 0.84 0.00 0.00 57.88 58.43 3n1b h LEU 925 Cb 1.48 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 3n1b h LEU 925 CO 0.12 0.60 0.61 0.50 -0.34 0.00 0.00 178.44 179.93 3n1b h LYS 926 N -0.15 0.75 -0.28 1.25 3.64 -1.19 0.63 116.57 121.22 3n1b h LYS 926 Ca 0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3n1b h LYS 926 Cb 0.52 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3n1b h LYS 926 CO 0.02 0.50 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.46 3n1b h LYS 927 N 0.77 0.50 -0.32 1.90 3.64 -1.31 -1.73 116.57 120.02 3n1b h LYS 927 Ca 0.52 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 3n1b h LYS 927 Cb 0.80 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3n1b h LYS 927 CO -0.29 0.66 -0.35 0.37 -2.27 0.00 0.00 179.45 177.57 3n1b h GLN 928 N 0.29 0.73 -0.21 1.90 5.75 -0.67 -0.78 115.11 122.11 3n1b h GLN 928 Ca 0.08 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3n1b h GLN 928 Cb 0.44 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 3n1b h GLN 928 CO 0.02 0.97 0.12 -0.07 -2.65 0.00 0.00 178.83 177.22 3n1b h LEU 929 N 0.61 0.26 -0.86 -2.39 3.38 -0.85 0.19 115.31 115.65 3n1b h LEU 929 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3n1b h LEU 929 Cb 0.88 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3n1b h LEU 929 CO 0.08 0.24 0.26 -1.28 0.09 0.00 0.00 178.44 177.83 3n1b h SER 930 N 0.25 1.02 -0.64 -0.43 0.87 -1.22 -0.59 113.55 112.82 3n1b h SER 930 Ca 0.08 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3n1b h SER 930 Cb 0.04 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3n1b h SER 930 CO -0.01 0.93 0.07 -0.74 -0.53 0.00 0.00 176.83 176.54 3n1b h HIS 931 N 1.07 1.17 -0.03 2.24 -0.00 -0.80 -2.52 115.15 116.28 3n1b h HIS 931 Ca 0.24 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3n1b h HIS 931 Cb 0.25 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 3n1b h HIS 931 CO 0.02 1.00 0.00 1.28 -0.00 0.00 0.00 177.93 180.23 3n1b n LEU 932 N -4.20 0.62 -2.64 0.26 4.77 0.63 -4.91 117.00 111.53 3n1b n LEU 932 Ca 0.04 -0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 3n1b n LEU 932 Cb 0.31 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3n1b n LEU 932 CO 0.43 0.12 -0.16 0.59 -1.33 0.00 0.00 177.39 177.04 3n1b n ASN 933 N -0.46 -5.75 -4.67 -1.43 3.02 -0.54 -4.96 115.26 100.48 3n1b n ASN 933 Ca 0.19 -0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3n1b n ASN 933 Cb 0.19 -4.74 -0.05 0.00 -0.61 0.00 0.00 39.78 34.57 3n1b n ASN 933 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3n1b s VAL 934 N -3.05 4.96 0.35 2.41 1.01 -0.34 -5.03 120.40 120.72 3n1b s VAL 934 Ca 0.12 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.56 3n1b s VAL 934 Cb -0.05 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3n1b s VAL 934 CO 0.14 0.08 0.00 0.27 0.00 0.00 0.00 175.10 175.59 3n1b s ILE 935 N 1.98 2.47 -1.35 2.22 -4.36 -1.26 -4.58 121.20 116.31 3n1b s ILE 935 Ca 0.33 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.64 3n1b s ILE 935 Cb -0.16 -2.80 0.11 0.00 1.25 0.00 0.00 42.46 40.86 3n1b s ILE 935 CO 0.11 -0.17 2.30 -3.20 0.24 0.00 0.00 174.94 174.22 3n1b n ASN 936 N -0.94 7.08 -0.10 4.36 5.15 -1.26 -4.50 115.26 125.05 3n1b n ASN 936 Ca -0.04 -3.05 0.07 0.00 -0.60 0.00 0.00 54.58 50.95 3n1b n ASN 936 Cb 0.63 -1.43 -0.05 0.00 -0.53 0.00 0.00 39.78 38.40 3n1b n ASN 936 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3n1b n ASP 937 N 2.75 0.93 0.00 1.20 5.68 -1.26 -4.99 116.55 120.86 3n1b n ASP 937 Ca 0.57 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 3n1b n ASP 937 Cb 0.28 0.83 0.00 0.00 -1.14 0.00 0.00 41.12 41.10 3n1b n ASP 937 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n1b n GLY 938 N 1.25 0.75 3.72 6.12 0.00 -1.26 -5.08 105.19 110.70 3n1b n GLY 938 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3n1b n GLY 938 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n1b s GLY 939 N -1.64 1.68 0.15 -0.02 0.00 -1.26 -4.75 107.32 101.48 3n1b s GLY 939 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 44.72 43.34 3n1b s GLY 939 CO 0.00 -0.27 1.65 -2.55 0.00 0.00 0.00 173.10 171.92 3n1b h PRO 940 N -2.34 -0.16 -0.61 2.90 0.11 -1.99 -1.61 132.00 128.30 3n1b h PRO 940 Ca -0.43 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3n1b h PRO 940 Cb 1.26 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3n1b h PRO 940 CO 0.30 -0.11 0.29 1.96 -0.21 0.00 0.00 178.00 180.24 3n1b h GLN 941 N -0.16 0.88 -0.74 1.05 4.20 -1.96 -2.22 115.11 116.16 3n1b h GLN 941 Ca 0.14 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3n1b h GLN 941 Cb 0.38 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3n1b h GLN 941 CO -0.36 0.71 0.49 -0.97 -0.67 0.00 0.00 178.83 178.03 3n1b h ASN 942 N 0.84 0.83 -0.52 1.46 -1.24 -1.71 -2.50 115.58 112.75 3n1b h ASN 942 Ca 0.21 -0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.08 3n1b h ASN 942 Cb 0.12 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3n1b h ASN 942 CO -0.03 0.60 -0.16 1.23 -1.29 0.00 0.00 177.43 177.78 3n1b h GLY 943 N 0.98 1.11 1.01 1.57 0.00 -0.73 -1.82 103.07 105.18 3n1b h GLY 943 Ca 0.28 -0.94 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 3n1b h GLY 943 CO -0.07 0.85 -0.05 1.41 0.00 0.00 0.00 176.54 178.69 3n1b h LEU 944 N 0.89 0.84 -0.38 3.11 3.38 -1.15 -1.45 115.31 120.55 3n1b h LEU 944 Ca 0.13 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3n1b h LEU 944 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3n1b h LEU 944 CO 0.06 0.97 0.13 0.58 0.09 0.00 0.00 178.44 180.28 3n1b h VAL 945 N 0.69 1.21 -0.91 1.22 2.07 -1.42 -0.77 116.25 118.33 3n1b h VAL 945 Ca 0.12 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3n1b h VAL 945 Cb 0.57 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3n1b h VAL 945 CO 0.03 0.23 0.60 0.74 0.02 0.00 0.00 177.57 179.20 3n1b h THR 946 N 0.47 1.21 0.08 2.57 2.02 -1.21 0.18 112.91 118.23 3n1b h THR 946 Ca 0.13 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3n1b h THR 946 Cb 0.23 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3n1b h THR 946 CO -0.01 0.22 -0.04 0.00 0.37 0.00 0.00 175.52 176.06 3n1b h ALA 947 N 1.35 -0.11 -0.56 6.16 0.00 -1.05 0.17 119.26 125.22 3n1b h ALA 947 Ca 0.34 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3n1b h ALA 947 Cb -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3n1b h ALA 947 CO -0.09 -0.47 0.18 -0.44 0.00 0.00 0.00 179.25 178.43 3n1b h ASP 948 N -0.29 0.14 -0.77 0.00 3.32 -0.75 0.09 116.42 118.17 3n1b h ASP 948 Ca -0.01 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3n1b h ASP 948 Cb 0.25 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3n1b h ASP 948 CO 0.02 0.10 0.34 0.58 -1.72 0.00 0.00 179.24 178.55 3n1b h VAL 949 N 0.34 1.25 -0.75 -1.35 2.07 -0.49 -1.55 116.25 115.78 3n1b h VAL 949 Ca 0.28 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3n1b h VAL 949 Cb 0.35 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3n1b h VAL 949 CO -0.31 0.32 0.41 0.00 0.02 0.00 0.00 177.57 178.01 3n1b h ALA 950 N 1.24 0.96 -0.62 1.67 0.00 0.63 -0.75 119.26 122.40 3n1b h ALA 950 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3n1b h ALA 950 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3n1b h ALA 950 CO -0.03 0.48 0.28 0.35 0.00 0.00 0.00 179.25 180.33 3n1b h PHE 951 N 1.04 0.91 -0.23 0.00 3.57 -0.76 -0.37 116.94 121.11 3n1b h PHE 951 Ca 0.26 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3n1b h PHE 951 Cb 0.04 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3n1b h PHE 951 CO 0.00 0.70 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.80 3n1b h TYR 952 N 0.86 -0.14 -0.17 0.41 5.03 -0.51 -0.18 116.97 122.26 3n1b h TYR 952 Ca 0.21 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.36 3n1b h TYR 952 Cb 0.15 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 3n1b h TYR 952 CO 0.00 -0.11 -0.65 1.79 -1.32 0.00 0.00 178.16 177.88 3n1b h THR 953 N -0.01 1.32 -0.38 1.81 1.35 -1.04 -0.16 112.91 115.80 3n1b h THR 953 Ca 0.11 -1.91 0.06 0.00 -0.55 0.00 0.00 66.41 64.12 3n1b h THR 953 Cb 0.18 1.88 -0.06 0.00 -1.73 0.00 0.00 68.15 68.43 3n1b h THR 953 CO -0.25 0.60 0.05 1.23 -0.25 0.00 0.00 175.52 176.90 3n1b h GLY 954 N 0.96 0.43 0.86 5.82 0.00 -0.78 0.18 103.07 110.54 3n1b h GLY 954 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3n1b h GLY 954 CO 0.12 -0.06 -0.00 -0.57 0.00 0.00 0.00 176.54 176.03 3n1b h ASN 955 N 0.16 -0.01 -0.03 0.19 -1.24 -0.90 -3.15 115.58 110.60 3n1b h ASN 955 Ca 0.19 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.08 3n1b h ASN 955 Cb 0.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 3n1b h ASN 955 CO -0.27 0.13 -0.06 0.25 -1.29 0.00 0.00 177.43 176.18 3n1b h LEU 956 N -0.15 -0.19 0.00 0.34 5.85 -0.46 -2.18 115.31 118.52 3n1b h LEU 956 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3n1b h LEU 956 Cb 0.14 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3n1b h LEU 956 CO 0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 3n1b n GLN 957 N -5.19 0.16 0.02 1.25 -0.00 0.60 -1.96 117.38 112.27 3n1b n GLN 957 Ca -0.05 0.17 0.12 0.00 -0.00 0.00 0.00 57.00 57.23 3n1b n GLN 957 Cb 0.11 -1.50 0.11 0.00 -0.00 0.00 0.00 30.24 28.97 3n1b n GLN 957 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3n1b n ALA 958 N -1.32 3.50 -2.22 2.61 0.00 -0.82 -3.70 120.51 118.55 3n1b n ALA 958 Ca 0.06 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 3n1b n ALA 958 Cb 0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 3n1b n ALA 958 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n1b s LEU 959 N -3.56 4.44 -0.33 0.00 1.43 -0.83 -4.91 118.68 114.92 3n1b s LEU 959 Ca 0.07 2.04 -0.42 0.00 -1.03 0.00 0.00 54.13 54.79 3n1b s LEU 959 Cb 0.15 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.61 3n1b s LEU 959 CO 0.76 -0.31 1.70 0.29 0.23 0.00 0.00 176.35 179.01 3n1b n LYS 960 N 2.98 0.84 -0.16 1.70 5.02 -1.26 -0.94 118.16 126.33 3n1b n LYS 960 Ca 0.05 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3n1b n LYS 960 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3n1b n LYS 960 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n1b n GLY 961 N 4.10 1.10 0.88 0.72 0.00 -1.26 -4.89 105.19 105.84 3n1b n GLY 961 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 3n1b n GLY 961 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n1b n LEU 962 N 0.00 3.49 -0.29 0.99 4.77 -0.11 -4.68 117.00 121.16 3n1b n LEU 962 Ca 0.00 -2.33 -0.04 0.00 -0.03 0.00 0.00 56.01 53.61 3n1b n LEU 962 Cb 0.00 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3n1b n LEU 962 CO 0.00 0.74 1.21 0.50 -1.33 0.00 0.00 177.39 178.51 3n1b h LYS 963 N 2.38 1.05 -0.51 3.23 3.64 -1.71 -3.07 116.57 121.58 3n1b h LYS 963 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3n1b h LYS 963 Cb 1.03 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3n1b h LYS 963 CO 0.09 0.70 0.00 -0.25 -2.27 0.00 0.00 179.45 177.72 3n1b n ASP 964 N -4.53 4.69 -4.72 4.20 8.00 -1.26 -4.91 116.55 118.03 3n1b n ASP 964 Ca 0.08 -2.69 -0.43 0.00 0.71 0.00 0.00 54.79 52.47 3n1b n ASP 964 Cb 0.01 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 3n1b n ASP 964 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n1b n LEU 965 N 0.53 3.93 -4.53 0.64 4.77 -1.16 -4.92 117.00 116.25 3n1b n LEU 965 Ca 0.24 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.90 3n1b n LEU 965 Cb 0.94 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 3n1b n LEU 965 CO 0.23 0.07 1.07 -0.62 -1.33 0.00 0.00 177.39 176.81 3n1b s ASP 966 N 0.89 6.20 0.12 -1.43 2.15 -1.26 -4.88 116.67 118.46 3n1b s ASP 966 Ca 0.72 -0.49 0.13 0.00 0.43 0.00 0.00 52.55 53.34 3n1b s ASP 966 Cb -0.53 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 39.44 3n1b s ASP 966 CO 0.39 -1.71 1.09 -0.07 -0.17 0.00 0.00 175.17 174.70 3n1b h LEU 967 N 12.54 0.00 -1.09 -1.34 3.38 -2.00 -3.51 115.31 123.29 3n1b h LEU 967 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3n1b h LEU 967 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3n1b h LEU 967 CO 1.25 0.73 -0.19 -3.20 0.09 0.00 0.00 178.44 177.12 3n1b n ASN 968 N -3.13 -1.74 0.00 -0.43 5.15 -1.26 -4.98 115.26 108.87 3n1b n ASN 968 Ca -0.05 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 3n1b n ASN 968 Cb 0.87 -2.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 3n1b n ASN 968 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3n1b n ALA 970 N 1.48 0.00 1.54 5.20 0.00 -1.26 -4.68 120.51 122.79 3n1b n ALA 970 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3n1b n ALA 970 Cb 0.00 -0.03 0.69 0.00 0.00 0.00 0.00 19.45 20.11 3n1b n ALA 970 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3n1b n GLU 971 N -0.43 0.77 0.04 0.00 0.28 -1.26 -2.28 120.64 117.76 3n1b n GLU 971 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 3n1b n GLU 971 Cb 0.00 -1.47 0.51 0.00 1.43 0.00 0.00 31.44 31.91 3n1b n GLU 971 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3n1b n ILE 972 N -0.97 0.33 0.66 3.84 -5.35 -1.26 -3.20 119.36 113.40 3n1b n ILE 972 Ca 0.17 -0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.68 3n1b n ILE 972 Cb 0.08 -0.60 -0.13 0.00 -1.74 0.00 0.00 39.64 37.25 3n1b n ILE 972 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3n1b n TRP 973 N -1.81 0.00 1.84 4.28 7.02 -0.96 -4.49 117.44 123.32 3n1b n TRP 973 Ca 0.06 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.69 3n1b n TRP 973 Cb 0.35 -0.14 0.88 0.00 -2.42 0.00 0.00 31.31 29.98 3n1b n TRP 973 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06