#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1j n GLN 838 N 0.00 2.41 -0.20 0.54 10.64 -1.26 -3.84 117.38 125.67 2a1j n GLN 838 Ca 0.00 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2a1j n GLN 838 Cb 0.00 -1.09 0.11 0.00 -0.86 0.00 0.00 30.24 28.40 2a1j n GLN 838 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2a1j h ASP 839 N 0.00 0.11 0.39 2.61 5.19 -2.06 0.48 116.42 123.15 2a1j h ASP 839 Ca -0.06 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2a1j h ASP 839 Cb 0.88 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2a1j h ASP 839 CO 0.00 0.07 -0.26 0.15 -3.12 0.00 0.00 179.24 176.09 2a1j h PHE 840 N 0.33 -0.68 -0.99 4.55 3.57 -2.01 -3.21 116.94 118.50 2a1j h PHE 840 Ca 0.31 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2a1j h PHE 840 Cb 0.42 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 2a1j h PHE 840 CO -0.20 -0.40 0.63 1.25 -2.23 0.00 0.00 178.31 177.36 2a1j h LEU 841 N -0.63 0.99 -0.80 0.59 5.85 -1.56 -2.33 115.31 117.42 2a1j h LEU 841 Ca -0.04 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2a1j h LEU 841 Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2a1j h LEU 841 CO 0.03 0.61 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.28 2a1j h LEU 842 N 1.11 0.00 -0.66 2.25 3.38 -0.92 -2.24 115.31 118.23 2a1j h LEU 842 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2a1j h LEU 842 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2a1j h LEU 842 CO -0.19 0.39 0.00 0.29 0.09 0.00 0.00 178.44 179.01 2a1j n LYS 843 N -3.47 1.44 -2.59 1.13 5.02 -0.88 -4.74 118.16 114.07 2a1j n LYS 843 Ca 0.00 -0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 55.23 2a1j n LYS 843 Cb 0.54 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 2a1j n LYS 843 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2a1j s MET 844 N -1.93 4.72 0.27 1.97 -1.94 -0.85 -4.99 119.30 116.56 2a1j s MET 844 Ca 0.36 1.66 -0.31 0.00 -1.71 0.00 0.00 55.69 55.69 2a1j s MET 844 Cb 0.18 -3.24 -0.12 0.00 2.01 0.00 0.00 34.83 33.66 2a1j s MET 844 CO 0.29 0.31 1.57 -2.30 -0.01 0.00 0.00 175.02 174.89 2a1j n PRO 845 N 1.49 2.56 -1.44 2.03 -0.02 -1.26 -2.85 135.00 135.51 2a1j n PRO 845 Ca -0.01 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2a1j n PRO 845 Cb 0.46 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 2a1j n PRO 845 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1j n GLY 846 N 2.41 0.87 3.18 -1.23 0.00 -1.26 -3.40 105.19 105.77 2a1j n GLY 846 Ca 0.10 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2a1j n GLY 846 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1j s VAL 847 N -2.36 1.88 0.36 1.61 1.01 -1.13 -4.75 120.40 117.01 2a1j s VAL 847 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2a1j s VAL 847 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2a1j s VAL 847 CO 0.00 0.52 0.25 0.54 0.00 0.00 0.00 175.10 176.41 2a1j s ASN 848 N 0.38 2.01 0.11 3.32 4.22 -1.26 -4.81 114.94 118.91 2a1j s ASN 848 Ca -0.17 -1.76 -0.20 0.00 -2.14 0.00 0.00 52.86 48.59 2a1j s ASN 848 Cb -0.17 0.57 -0.08 0.00 1.28 0.00 0.00 41.25 42.85 2a1j s ASN 848 CO 0.08 -1.05 1.70 0.00 -2.04 0.00 0.00 177.10 175.79 2a1j h ALA 849 N 2.03 0.26 -0.17 3.54 0.00 -2.00 -1.12 119.26 121.79 2a1j h ALA 849 Ca -0.27 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2a1j h ALA 849 Cb 1.24 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2a1j h ALA 849 CO 0.40 -0.21 -0.26 -0.22 0.00 0.00 0.00 179.25 178.97 2a1j h LYS 850 N 0.22 -0.19 0.00 0.00 3.64 -2.03 -3.07 116.57 115.13 2a1j h LYS 850 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2a1j h LYS 850 Cb 0.08 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2a1j h LYS 850 CO -0.01 -0.13 0.00 0.27 -2.27 0.00 0.00 179.45 177.31 2a1j n ASN 851 N -3.93 0.00 -0.13 4.20 2.04 -1.11 -3.38 115.26 112.93 2a1j n ASN 851 Ca -0.02 0.22 -0.10 0.00 -0.44 0.00 0.00 54.58 54.24 2a1j n ASN 851 Cb 0.16 -0.39 -0.01 0.00 -2.53 0.00 0.00 39.78 37.00 2a1j n ASN 851 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2a1j h ARG 853 N 0.49 -0.22 0.00 0.00 2.43 -1.63 -1.01 114.38 114.43 2a1j h ARG 853 Ca 0.12 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2a1j h ARG 853 Cb 0.37 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2a1j h ARG 853 CO 0.01 -0.15 -0.07 0.66 -1.51 0.00 0.00 179.97 178.91 2a1j h SER 854 N -0.23 0.00 0.22 -3.80 4.64 -1.65 -2.04 113.55 110.69 2a1j h SER 854 Ca 0.03 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 2a1j h SER 854 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 2a1j h SER 854 CO -0.29 0.07 -2.01 -0.11 -0.87 0.00 0.00 176.83 173.63 2a1j n LEU 855 N -3.85 1.83 0.02 5.97 7.94 -0.80 -3.19 117.00 124.92 2a1j n LEU 855 Ca -0.02 0.21 0.01 0.00 -1.11 0.00 0.00 56.01 55.10 2a1j n LEU 855 Cb 0.17 -0.50 0.06 0.00 0.53 0.00 0.00 43.42 43.68 2a1j n LEU 855 CO 0.30 0.68 0.53 0.23 -1.11 0.00 0.00 177.39 178.02 2a1j n MET 856 N -3.23 0.01 -0.05 1.96 2.81 -0.39 -2.63 117.12 115.59 2a1j n MET 856 Ca -0.29 0.49 -0.12 0.00 -1.81 0.00 0.00 57.70 55.98 2a1j n MET 856 Cb 1.05 -1.57 -0.14 0.00 -0.71 0.00 0.00 33.22 31.85 2a1j n MET 856 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2a1j n HIS 857 N -1.55 0.61 0.16 2.03 8.25 -1.12 -4.49 115.22 119.11 2a1j n HIS 857 Ca -0.00 0.20 0.07 0.00 -0.26 0.00 0.00 57.72 57.73 2a1j n HIS 857 Cb 0.03 -1.10 0.13 0.00 1.12 0.00 0.00 29.99 30.17 2a1j n HIS 857 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a1j n HIS 858 N -3.03 0.32 -3.80 4.41 8.25 -1.08 -4.96 115.22 115.32 2a1j n HIS 858 Ca -0.27 -0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 2a1j n HIS 858 Cb 1.08 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 32.04 2a1j n HIS 858 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2a1j s VAL 859 N -1.10 -0.02 0.11 1.59 0.11 -1.16 -5.07 120.40 114.86 2a1j s VAL 859 Ca 0.24 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 2a1j s VAL 859 Cb 0.14 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.80 2a1j s VAL 859 CO 0.19 0.04 1.59 0.11 -3.33 0.00 0.00 175.10 173.70 2a1j h LYS 860 N 6.57 0.58 -2.53 1.54 6.56 -1.89 -3.44 116.57 123.95 2a1j h LYS 860 Ca -0.33 -0.15 0.14 0.00 -1.06 0.00 0.00 60.65 59.25 2a1j h LYS 860 Cb 1.17 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.70 2a1j h LYS 860 CO 0.45 0.65 0.44 0.54 -2.06 0.00 0.00 179.45 179.47 2a1j s ASN 861 N -5.99 -0.14 0.11 0.86 6.03 -1.26 -5.07 114.94 109.49 2a1j s ASN 861 Ca -0.13 -0.55 -0.24 0.00 -1.03 0.00 0.00 52.86 50.91 2a1j s ASN 861 Cb 0.09 0.56 -0.08 0.00 -3.03 0.00 0.00 41.25 38.80 2a1j s ASN 861 CO 0.76 -1.06 1.68 0.40 -2.03 0.00 0.00 177.10 176.85 2a1j h ILE 862 N 2.00 0.66 -0.91 0.54 2.04 -1.92 -2.54 117.51 117.39 2a1j h ILE 862 Ca -0.24 0.00 0.35 0.00 1.00 0.00 0.00 64.86 65.96 2a1j h ILE 862 Cb 1.23 0.66 -0.17 0.00 -0.74 0.00 0.00 36.82 37.81 2a1j h ILE 862 CO 0.28 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.80 2a1j n ALA 863 N -2.43 0.81 0.27 1.87 0.00 -1.26 0.17 120.51 119.93 2a1j n ALA 863 Ca -0.05 0.94 0.16 0.00 0.00 0.00 0.00 53.44 54.49 2a1j n ALA 863 Cb 0.19 -0.87 0.63 0.00 0.00 0.00 0.00 19.45 19.39 2a1j n ALA 863 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2a1j h GLU 864 N 0.00 0.00 -0.57 0.00 4.57 -1.87 -2.68 114.58 114.03 2a1j h GLU 864 Ca 0.72 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.90 2a1j h GLU 864 Cb 1.81 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.37 2a1j h GLU 864 CO -0.74 0.02 0.37 -0.07 -1.18 0.00 0.00 179.01 177.41 2a1j h LEU 865 N 0.00 0.66 -1.12 1.64 4.07 0.16 0.28 115.31 121.00 2a1j h LEU 865 Ca -0.00 -0.03 0.27 0.00 0.08 0.00 0.00 57.88 58.21 2a1j h LEU 865 Cb 0.57 -0.17 -0.12 0.00 1.08 0.00 0.00 40.66 42.02 2a1j h LEU 865 CO 0.00 0.49 0.63 0.00 -1.08 0.00 0.00 178.44 178.48 2a1j h ALA 866 N 1.20 1.99 0.00 1.53 0.00 -1.50 -2.78 119.26 119.69 2a1j h ALA 866 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2a1j h ALA 866 Cb -0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2a1j h ALA 866 CO -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2a1j n ALA 867 N -2.36 2.30 -2.55 0.00 0.00 0.98 -4.89 120.51 113.99 2a1j n ALA 867 Ca 0.28 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2a1j n ALA 867 Cb 0.86 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 2a1j n ALA 867 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a1j s LEU 868 N -3.02 4.16 0.73 0.00 1.43 -1.05 -5.10 118.68 115.82 2a1j s LEU 868 Ca 0.14 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 53.86 2a1j s LEU 868 Cb 0.18 -3.48 0.06 0.00 0.03 0.00 0.00 46.19 42.98 2a1j s LEU 868 CO 0.52 -0.09 1.06 -0.55 0.23 0.00 0.00 176.35 177.53 2a1j s SER 869 N -2.76 4.76 0.08 2.29 0.15 -1.26 -4.93 113.70 112.03 2a1j s SER 869 Ca 0.44 0.58 -0.20 0.00 0.70 0.00 0.00 55.95 57.47 2a1j s SER 869 Cb -0.11 -1.20 -0.09 0.00 -1.71 0.00 0.00 66.02 62.91 2a1j s SER 869 CO 0.26 -1.67 1.56 -0.61 1.20 0.00 0.00 173.24 173.99 2a1j h GLN 870 N -0.73 0.33 -0.64 5.44 4.15 -1.99 -1.45 115.11 120.23 2a1j h GLN 870 Ca -0.45 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 58.93 2a1j h GLN 870 Cb 1.32 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 2a1j h GLN 870 CO 0.62 0.47 0.38 -0.44 -1.93 0.00 0.00 178.83 177.93 2a1j h ASP 871 N 0.14 0.59 0.40 -0.69 3.32 -1.97 0.14 116.42 118.35 2a1j h ASP 871 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2a1j h ASP 871 Cb 0.29 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2a1j h ASP 871 CO 0.00 0.40 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.51 2a1j h GLU 872 N 0.72 0.00 0.19 3.56 5.08 -1.89 -1.47 114.58 120.76 2a1j h GLU 872 Ca 0.27 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.32 2a1j h GLU 872 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.36 2a1j h GLU 872 CO -0.14 0.08 -1.47 -0.07 -1.00 0.00 0.00 179.01 176.42 2a1j h LEU 873 N 0.00 0.63 0.12 1.33 3.38 -0.10 -2.88 115.31 117.79 2a1j h LEU 873 Ca -0.00 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.06 2a1j h LEU 873 Cb 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2a1j h LEU 873 CO 0.01 1.68 -0.52 0.74 0.09 0.00 0.00 178.44 180.43 2a1j h THR 874 N -0.03 0.01 -0.50 0.22 2.02 -0.46 0.42 112.91 114.59 2a1j h THR 874 Ca -0.28 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.00 2a1j h THR 874 Cb 2.00 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 2a1j h THR 874 CO 0.19 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.85 2a1j h SER 875 N -0.75 -0.20 0.26 4.18 4.64 -1.41 3.18 113.55 123.44 2a1j h SER 875 Ca -0.00 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2a1j h SER 875 Cb 0.76 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2a1j h SER 875 CO -0.29 -0.07 -0.07 0.40 -0.87 0.00 0.00 176.83 175.94 2a1j h ILE 876 N 0.12 0.46 0.00 0.95 2.04 -1.25 -2.94 117.51 116.88 2a1j h ILE 876 Ca 0.25 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2a1j h ILE 876 Cb 0.38 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2a1j h ILE 876 CO -0.42 0.07 -0.86 0.18 0.00 0.00 0.00 178.15 177.12 2a1j n LEU 877 N -3.60 0.30 0.00 1.44 4.77 0.11 -4.62 117.00 115.39 2a1j n LEU 877 Ca -0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2a1j n LEU 877 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2a1j n LEU 877 CO 0.28 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2a1j n GLY 878 N 1.49 0.10 3.08 -0.72 0.00 1.05 -4.92 105.19 105.27 2a1j n GLY 878 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2a1j n GLY 878 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a1j s ASN 879 N -2.10 4.46 0.36 1.61 3.84 -1.22 -4.98 114.94 116.92 2a1j s ASN 879 Ca 0.00 -1.37 0.07 0.00 0.21 0.00 0.00 52.86 51.76 2a1j s ASN 879 Cb 0.00 -1.56 0.70 0.00 -0.55 0.00 0.00 41.25 39.83 2a1j s ASN 879 CO 0.00 -0.19 1.90 0.00 -2.79 0.00 0.00 177.10 176.02 2a1j h ALA 880 N 7.79 1.45 0.04 1.71 0.00 -1.91 -0.13 119.26 128.21 2a1j h ALA 880 Ca -0.20 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 2a1j h ALA 880 Cb 1.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2a1j h ALA 880 CO 0.47 0.39 -1.53 0.00 0.00 0.00 0.00 179.25 178.58 2a1j h ALA 881 N 1.58 0.53 -0.98 0.00 0.00 -1.99 -2.30 119.26 116.09 2a1j h ALA 881 Ca 0.08 -1.25 0.05 0.00 0.00 0.00 0.00 54.91 53.79 2a1j h ALA 881 Cb 0.33 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2a1j h ALA 881 CO 0.01 1.38 0.64 -0.91 0.00 0.00 0.00 179.25 180.37 2a1j h ASN 882 N 0.02 1.05 -0.41 0.00 4.21 -1.77 -1.32 115.58 117.36 2a1j h ASN 882 Ca -0.22 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.19 2a1j h ASN 882 Cb 1.96 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.91 2a1j h ASN 882 CO 0.11 0.70 -0.07 0.00 -1.29 0.00 0.00 177.43 176.88 2a1j h ALA 883 N 1.44 0.98 -0.46 -0.83 0.00 -1.02 -2.09 119.26 117.29 2a1j h ALA 883 Ca 0.40 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2a1j h ALA 883 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2a1j h ALA 883 CO -0.14 0.61 0.27 -0.22 0.00 0.00 0.00 179.25 179.77 2a1j h LYS 884 N 0.77 0.52 -0.65 0.00 3.64 -0.81 -0.64 116.57 119.40 2a1j h LYS 884 Ca 0.13 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2a1j h LYS 884 Cb 0.56 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2a1j h LYS 884 CO 0.03 0.34 0.15 1.96 -2.27 0.00 0.00 179.45 179.66 2a1j h GLN 885 N 0.53 1.04 0.08 1.90 1.08 -0.70 -1.12 115.11 117.92 2a1j h GLN 885 Ca 0.18 -0.24 -0.30 0.00 -1.45 0.00 0.00 58.65 56.84 2a1j h GLN 885 Cb 0.02 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 2a1j h GLN 885 CO -0.09 0.92 -1.58 1.25 -0.95 0.00 0.00 178.83 178.38 2a1j h LEU 886 N 0.98 0.26 -0.51 1.46 5.85 -1.26 -2.09 115.31 120.00 2a1j h LEU 886 Ca 0.21 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2a1j h LEU 886 Cb 0.36 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2a1j h LEU 886 CO 0.00 1.35 0.01 0.22 -0.34 0.00 0.00 178.44 179.68 2a1j h TYR 887 N 0.05 0.97 -0.49 1.25 3.20 -1.00 -2.66 116.97 118.28 2a1j h TYR 887 Ca -0.25 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.37 2a1j h TYR 887 Cb 1.99 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 2a1j h TYR 887 CO 0.04 0.90 0.00 -0.44 -1.64 0.00 0.00 178.16 177.03 2a1j h ASP 888 N 0.76 0.85 -0.95 -2.11 3.32 -1.26 -0.91 116.42 116.12 2a1j h ASP 888 Ca 0.15 -0.31 0.16 0.00 0.02 0.00 0.00 57.03 57.05 2a1j h ASP 888 Cb 0.51 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.73 2a1j h ASP 888 CO 0.02 0.95 0.56 0.15 -1.72 0.00 0.00 179.24 179.20 2a1j h PHE 889 N 0.73 0.99 0.13 4.55 3.57 -1.24 -1.61 116.94 124.06 2a1j h PHE 889 Ca 0.14 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.36 2a1j h PHE 889 Cb 0.51 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2a1j h PHE 889 CO 0.04 0.26 -1.59 0.82 -2.23 0.00 0.00 178.31 175.61 2a1j h ILE 890 N 0.77 1.09 -0.04 1.41 2.04 -1.10 -3.34 117.51 118.33 2a1j h ILE 890 Ca 0.53 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2a1j h ILE 890 Cb 0.73 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2a1j h ILE 890 CO -0.35 0.82 0.00 1.41 0.00 0.00 0.00 178.15 180.02 2a1j n HIS 891 N -3.47 0.02 -2.36 1.37 8.25 -0.39 -4.92 115.22 113.73 2a1j n HIS 891 Ca -0.18 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 2a1j n HIS 891 Cb 1.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.13 2a1j n HIS 891 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2a1j s THR 892 N -1.98 3.79 -0.05 1.59 2.01 -0.62 -5.04 115.64 115.33 2a1j s THR 892 Ca 0.30 1.32 0.05 0.00 0.31 0.00 0.00 61.69 63.67 2a1j s THR 892 Cb 0.20 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2a1j s THR 892 CO 0.31 0.12 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.61 2a1j s SER 893 N 0.91 2.45 0.12 3.53 0.15 -1.26 -5.05 113.70 114.56 2a1j s SER 893 Ca 0.59 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 2a1j s SER 893 Cb -0.32 -0.68 -0.07 0.00 -1.71 0.00 0.00 66.02 63.25 2a1j s SER 893 CO 0.31 0.18 0.57 -0.36 1.20 0.00 0.00 173.24 175.13 2a1j s PHE 894 N -0.02 3.68 0.00 3.44 0.40 -1.26 -4.84 117.98 119.37 2a1j s PHE 894 Ca -0.04 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 2a1j s PHE 894 Cb -0.12 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 40.98 2a1j s PHE 894 CO 0.03 0.48 0.00 0.00 0.70 0.00 0.00 175.22 176.43 2a1j n ALA 895 N 1.14 0.00 -2.00 5.36 0.00 -1.26 -5.10 120.51 118.65 2a1j n ALA 895 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2a1j n ALA 895 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2a1j n ALA 895 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2a1j n GLU 896 N 0.00 0.00 -0.28 0.00 0.28 -1.26 -4.88 120.64 114.51 2a1j n GLU 896 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2a1j n GLU 896 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 2a1j n GLU 896 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2a1j n VAL 897 N 0.00 0.00 0.00 3.84 0.24 -1.26 -5.34 118.33 115.81 2a1j n VAL 897 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2a1j n VAL 897 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 2a1j n VAL 897 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02