#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1in1 n SER 836 N 0.00 4.07 -0.07 1.61 2.88 -1.26 -4.73 113.62 116.13 1in1 n SER 836 Ca 0.00 -2.75 -0.07 0.00 -1.33 0.00 0.00 58.87 54.71 1in1 n SER 836 Cb 0.00 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1in1 h ALA 837 N 2.42 -0.57 0.00 -1.46 0.00 -1.98 5.20 119.26 122.88 1in1 h ALA 837 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1in1 h ALA 837 Cb 1.39 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1in1 h ALA 837 CO 0.22 -0.70 0.26 0.38 0.00 0.00 0.00 179.25 179.41 1in1 h ASP 838 N -0.22 0.00 0.00 0.00 3.04 -1.92 1.24 116.42 118.56 1in1 h ASP 838 Ca 0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1in1 h ASP 838 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 1in1 h ASP 838 CO -0.31 0.00 -0.99 -0.62 -2.04 0.00 0.00 179.24 175.28 1in1 n GLU 839 N -2.46 1.54 0.00 4.15 1.02 0.36 -4.08 120.64 121.17 1in1 n GLU 839 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1in1 n GLU 839 Cb 0.30 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1in1 n GLU 839 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1in1 n THR 840 N -1.54 0.00 0.51 2.62 -1.04 1.61 -4.65 114.28 111.79 1in1 n THR 840 Ca 0.01 0.12 0.04 0.00 -2.04 0.00 0.00 64.05 62.19 1in1 n THR 840 Cb 0.29 -1.02 0.25 0.00 -1.82 0.00 0.00 70.33 68.02 1in1 n THR 840 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1in1 n LEU 841 N -2.11 0.00 0.12 -4.42 -0.00 0.24 -2.63 117.00 108.21 1in1 n LEU 841 Ca 0.00 0.11 0.08 0.00 -0.00 0.00 0.00 56.01 56.20 1in1 n LEU 841 Cb 0.00 -0.11 0.40 0.00 -0.00 0.00 0.00 43.42 43.71 1in1 n LEU 841 CO 0.00 -0.08 0.74 0.00 -0.00 0.00 0.00 177.39 178.05 1in1 n GLN 843 N -2.02 4.54 0.00 0.00 1.13 -1.08 -4.86 117.38 115.09 1in1 n GLN 843 Ca -0.01 -3.58 0.00 0.00 -1.94 0.00 0.00 57.00 51.47 1in1 n GLN 843 Cb 0.08 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 27.87 1in1 n GLN 843 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1in1 n THR 844 N 1.32 0.00 -0.39 5.09 5.66 -1.13 -0.75 114.28 124.07 1in1 n THR 844 Ca 0.59 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.59 1in1 n THR 844 Cb 0.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 1in1 n THR 844 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1in1 n LYS 845 N 0.00 0.82 0.00 1.09 4.76 -1.25 -5.01 118.16 118.57 1in1 n LYS 845 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1in1 n LYS 845 Cb 0.00 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.12 1in1 n LYS 845 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1in1 n VAL 846 N 0.00 0.00 0.00 -0.18 0.24 0.07 -4.61 118.33 113.86 1in1 n VAL 846 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1in1 n VAL 846 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1in1 n VAL 846 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1in1 n LEU 847 N 0.00 0.00 -0.53 1.34 7.99 -1.26 -4.89 117.00 119.65 1in1 n LEU 847 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.07 1in1 n LEU 847 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1in1 n LEU 847 CO 0.00 0.00 -0.20 0.18 -1.51 0.00 0.00 177.39 175.86 1in1 n LEU 848 N 0.00 -0.35 -2.94 2.23 4.77 -1.26 -4.26 117.00 115.19 1in1 n LEU 848 Ca 0.00 0.81 -0.30 0.00 -0.03 0.00 0.00 56.01 56.49 1in1 n LEU 848 Cb 0.00 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 39.59 1in1 n LEU 848 CO 0.00 -0.95 2.83 -0.90 -1.33 0.00 0.00 177.39 177.04 1in1 n ASP 849 N -3.02 7.49 0.00 -1.43 5.68 -1.26 -4.64 116.55 119.36 1in1 n ASP 849 Ca -0.02 -2.52 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 1in1 n ASP 849 Cb 0.25 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 38.75 1in1 n ASP 849 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1in1 n ILE 850 N 3.32 0.00 0.00 2.12 2.08 -1.26 -3.36 119.36 122.26 1in1 n ILE 850 Ca 0.66 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.97 1in1 n ILE 850 Cb 0.41 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 1in1 n ILE 850 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1in1 n PHE 851 N 0.00 0.00 -1.39 1.39 3.72 -1.26 -2.46 117.46 117.46 1in1 n PHE 851 Ca 0.00 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.90 1in1 n PHE 851 Cb 0.00 -0.17 -0.12 0.00 -0.94 0.00 0.00 39.48 38.25 1in1 n PHE 851 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1in1 n THR 852 N 1.50 0.02 -0.87 4.37 5.66 -1.26 0.42 114.28 124.12 1in1 n THR 852 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1in1 n THR 852 Cb 0.00 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 67.98 1in1 n THR 852 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1in1 n GLY 853 N 6.89 0.34 3.57 1.09 0.00 -1.24 -4.91 105.19 110.93 1in1 n GLY 853 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 1in1 n GLY 853 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1in1 s VAL 854 N -1.91 3.99 -0.92 1.61 1.01 1.40 -4.84 120.40 120.75 1in1 s VAL 854 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1in1 s VAL 854 Cb 0.00 -4.75 0.18 0.00 0.00 0.00 0.00 36.38 31.82 1in1 s VAL 854 CO 0.00 -1.42 0.99 0.00 0.00 0.00 0.00 175.10 174.67 1in1 s ARG 855 N 5.02 3.68 -0.13 2.72 1.70 -1.26 -3.74 118.95 126.93 1in1 s ARG 855 Ca 0.41 -2.24 -0.06 0.00 -0.47 0.00 0.00 55.73 53.36 1in1 s ARG 855 Cb -0.08 -4.68 -0.04 0.00 -0.57 0.00 0.00 34.95 29.58 1in1 s ARG 855 CO 0.23 -1.52 0.08 -0.48 -1.08 0.00 0.00 175.30 172.54 1in1 s LEU 856 N 1.18 4.02 -0.65 -1.89 0.05 -1.13 2.12 118.68 122.38 1in1 s LEU 856 Ca 0.27 0.27 -0.27 0.00 0.05 0.00 0.00 54.13 54.45 1in1 s LEU 856 Cb -0.07 -1.98 0.01 0.00 -2.05 0.00 0.00 46.19 42.10 1in1 s LEU 856 CO -0.09 0.33 1.51 -0.47 -0.55 0.00 0.00 176.35 177.08 1in1 s TYR 857 N -0.56 2.07 -0.43 3.48 5.04 1.29 -4.35 117.35 123.88 1in1 s TYR 857 Ca 0.11 0.35 -0.29 0.00 -2.44 0.00 0.00 57.07 54.80 1in1 s TYR 857 Cb -0.12 -4.39 0.03 0.00 0.35 0.00 0.00 41.96 37.83 1in1 s TYR 857 CO 0.02 -2.14 1.12 -1.17 -1.34 0.00 0.00 175.55 172.04 1in1 s LEU 858 N 6.93 3.72 0.42 6.97 2.96 -1.26 0.28 118.68 138.69 1in1 s LEU 858 Ca 0.50 0.64 -0.24 0.00 -0.22 0.00 0.00 54.13 54.81 1in1 s LEU 858 Cb -0.10 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 1in1 s LEU 858 CO 0.19 -1.15 1.11 -2.16 -1.32 0.00 0.00 176.35 173.03 1in1 s PRO 859 N 4.23 3.99 0.47 0.98 0.04 -1.26 -4.88 135.00 138.57 1in1 s PRO 859 Ca 0.47 1.66 0.27 0.00 0.04 0.00 0.00 61.00 63.44 1in1 s PRO 859 Cb -0.09 -2.51 0.97 0.00 0.04 0.00 0.00 34.50 32.91 1in1 s PRO 859 CO 0.27 -0.32 1.84 -1.00 0.04 0.00 0.00 177.00 177.82 1in1 h PRO 860 N 2.35 0.00 0.00 0.56 0.13 -1.98 -2.42 132.00 130.64 1in1 h PRO 860 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1in1 h PRO 860 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1in1 h PRO 860 CO 0.61 0.14 -0.03 0.43 -0.23 0.00 0.00 178.00 178.92 1in1 n SER 861 N -3.25 0.38 -4.77 1.44 7.64 -1.26 -4.83 113.62 108.97 1in1 n SER 861 Ca 0.01 0.50 -0.40 0.00 1.01 0.00 0.00 58.87 60.00 1in1 n SER 861 Cb 0.41 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 1in1 n SER 861 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1in1 s THR 862 N -3.05 3.04 0.44 0.44 2.01 -0.91 -5.00 115.64 112.62 1in1 s THR 862 Ca 0.12 0.97 -0.23 0.00 0.31 0.00 0.00 61.69 62.86 1in1 s THR 862 Cb 0.16 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1in1 s THR 862 CO 0.57 0.17 1.11 -2.16 -0.69 0.00 0.00 174.62 173.61 1in1 s PRO 863 N -1.96 3.89 0.00 4.92 0.04 -1.26 -2.74 135.00 137.89 1in1 s PRO 863 Ca 0.52 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1in1 s PRO 863 Cb -0.34 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1in1 s PRO 863 CO 0.44 -0.40 0.00 -0.25 0.04 0.00 0.00 177.00 176.83 1in1 n ASP 864 N -0.43 -3.81 -0.34 6.66 9.92 -1.26 -4.86 116.55 122.43 1in1 n ASP 864 Ca 0.07 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.35 1in1 n ASP 864 Cb 0.49 -2.06 0.07 0.00 -0.64 0.00 0.00 41.12 38.99 1in1 n ASP 864 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1in1 n PHE 865 N -2.35 0.15 0.00 1.24 7.35 -1.11 -0.52 117.46 122.22 1in1 n PHE 865 Ca 0.00 1.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1in1 n PHE 865 Cb 0.23 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.15 1in1 n PHE 865 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1in1 n SER 866 N -5.39 0.00 -0.10 -2.13 2.88 -1.26 0.22 113.62 107.84 1in1 n SER 866 Ca 0.11 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.82 1in1 n SER 866 Cb 0.40 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1in1 n SER 866 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1in1 h ARG 867 N 0.00 0.54 -0.76 -1.46 -0.00 -1.75 -3.09 114.38 107.86 1in1 h ARG 867 Ca 0.00 -0.18 0.16 0.00 -0.50 0.00 0.00 59.98 59.46 1in1 h ARG 867 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 29.97 29.78 1in1 h ARG 867 CO 0.00 0.70 -0.16 1.28 0.00 0.00 0.00 179.97 181.80 1in1 n LEU 868 N -4.54 -0.24 0.00 3.04 4.77 0.70 0.16 117.00 120.88 1in1 n LEU 868 Ca -0.03 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1in1 n LEU 868 Cb 0.28 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1in1 n LEU 868 CO 0.39 -1.27 0.06 -1.14 -1.33 0.00 0.00 177.39 174.10 1in1 n ARG 869 N -5.21 0.00 -0.30 3.23 3.00 0.13 -1.63 116.66 115.89 1in1 n ARG 869 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.90 1in1 n ARG 869 Cb 0.42 -0.52 -0.07 0.00 0.00 0.00 0.00 32.46 32.28 1in1 n ARG 869 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1in1 n ARG 870 N -0.16 -0.31 0.00 -0.14 3.00 -1.03 -1.52 116.66 116.50 1in1 n ARG 870 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 57.85 59.06 1in1 n ARG 870 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 30.68 1in1 n ARG 870 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1in1 n TYR 871 N -4.69 0.00 0.00 -0.14 9.36 0.41 0.16 117.16 122.26 1in1 n TYR 871 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1in1 n TYR 871 Cb 0.18 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 1in1 n TYR 871 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1in1 n PHE 872 N -2.15 0.00 -0.15 2.98 -0.00 -0.58 0.04 117.46 117.60 1in1 n PHE 872 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 1in1 n PHE 872 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 39.48 39.74 1in1 n PHE 872 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 1in1 n VAL 873 N 0.00 -0.18 -0.23 -2.13 3.14 -0.96 0.49 118.33 118.46 1in1 n VAL 873 Ca 0.00 0.88 -0.03 0.00 -2.96 0.00 0.00 64.34 62.22 1in1 n VAL 873 Cb 0.00 -1.43 0.07 0.00 -1.06 0.00 0.00 33.84 31.43 1in1 n VAL 873 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1in1 h ALA 874 N 0.86 0.86 -0.91 1.55 0.00 0.41 -1.77 119.26 120.26 1in1 h ALA 874 Ca 0.37 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.52 1in1 h ALA 874 Cb 1.01 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 1in1 h ALA 874 CO -0.32 0.13 0.31 0.74 0.00 0.00 0.00 179.25 180.11 1in1 h PHE 875 N 0.76 0.49 0.00 0.00 -1.00 1.53 -3.43 116.94 115.29 1in1 h PHE 875 Ca 0.27 0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1in1 h PHE 875 Cb 0.06 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1in1 h PHE 875 CO -0.06 -0.19 0.00 -0.25 -1.61 0.00 0.00 178.31 176.20 1in1 n ASP 876 N -5.18 0.00 -0.03 2.17 8.00 -0.68 -4.81 116.55 116.02 1in1 n ASP 876 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1in1 n ASP 876 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1in1 n ASP 876 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1in1 n GLY 877 N 0.00 1.86 3.43 0.44 0.00 -1.09 -3.71 105.19 106.13 1in1 n GLY 877 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1in1 n GLY 877 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1in1 s ASP 878 N -1.00 -0.58 -0.09 1.61 1.01 -1.25 -4.70 116.67 111.69 1in1 s ASP 878 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1in1 s ASP 878 Cb 0.00 0.59 0.02 0.00 1.01 0.00 0.00 42.92 44.55 1in1 s ASP 878 CO 0.00 -0.93 -0.07 -0.76 0.21 0.00 0.00 175.17 173.62 1in1 s LEU 879 N -2.59 1.20 -0.09 1.23 1.43 -1.26 -2.84 118.68 115.76 1in1 s LEU 879 Ca -0.00 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1in1 s LEU 879 Cb -0.01 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 1in1 s LEU 879 CO -0.11 -0.09 0.03 -0.69 0.23 0.00 0.00 176.35 175.73 1in1 s VAL 880 N 1.43 4.58 0.20 -1.59 1.01 -1.26 -4.97 120.40 119.80 1in1 s VAL 880 Ca -0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1in1 s VAL 880 Cb -0.13 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1in1 s VAL 880 CO -0.04 0.59 1.43 -1.10 0.00 0.00 0.00 175.10 175.98 1in1 s GLN 881 N -0.97 4.29 0.00 2.72 -0.21 -0.63 -4.41 119.66 120.44 1in1 s GLN 881 Ca 0.14 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.76 1in1 s GLN 881 Cb -0.11 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1in1 s GLN 881 CO 0.03 -0.43 0.33 -1.91 -2.12 0.00 0.00 175.29 171.19 1in1 n GLU 882 N 2.94 0.00 0.00 2.91 2.13 -1.26 0.79 120.64 128.16 1in1 n GLU 882 Ca 0.09 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1in1 n GLU 882 Cb 0.41 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 31.62 1in1 n GLU 882 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1in1 n PHE 883 N -2.21 0.00 -3.38 4.31 -1.74 -1.26 -3.87 117.46 109.31 1in1 n PHE 883 Ca 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.70 1in1 n PHE 883 Cb 0.00 -0.02 -0.09 0.00 1.52 0.00 0.00 39.48 40.90 1in1 n PHE 883 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1in1 s ASP 884 N -1.11 1.54 0.00 5.98 1.01 4.23 -4.93 116.67 123.39 1in1 s ASP 884 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 52.55 51.71 1in1 s ASP 884 Cb 0.00 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.33 1in1 s ASP 884 CO 0.00 -0.29 0.00 1.15 0.21 0.00 0.00 175.17 176.24 1in1 n MET 885 N 4.37 0.00 0.00 8.23 0.00 -1.24 -1.61 117.12 126.88 1in1 n MET 885 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1in1 n MET 885 Cb 0.44 -0.33 0.00 0.00 0.00 0.00 0.00 33.22 33.33 1in1 n MET 885 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1in1 n THR 886 N -1.13 0.00 0.62 3.17 -2.24 -1.26 1.45 114.28 114.89 1in1 n THR 886 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1in1 n THR 886 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1in1 n THR 886 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1in1 n SER 887 N -1.43 0.62 -3.61 3.42 7.64 -1.26 -4.91 113.62 114.09 1in1 n SER 887 Ca 0.00 -0.28 -0.08 0.00 1.01 0.00 0.00 58.87 59.52 1in1 n SER 887 Cb 0.00 0.81 0.08 0.00 -1.01 0.00 0.00 64.21 64.09 1in1 n SER 887 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1in1 n ALA 888 N -1.79 -1.41 0.00 -0.43 0.00 14.67 -4.99 120.51 126.56 1in1 n ALA 888 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1in1 n ALA 888 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1in1 n ALA 888 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1in1 n THR 889 N -3.76 0.00 -4.38 0.00 5.66 -1.04 -4.70 114.28 106.06 1in1 n THR 889 Ca 0.04 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.84 1in1 n THR 889 Cb 0.16 -0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 68.50 1in1 n THR 889 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1in1 s HIS 890 N -1.56 1.80 -0.17 1.09 3.76 35.51 -1.89 115.29 153.84 1in1 s HIS 890 Ca 0.00 -0.67 -0.07 0.00 -0.15 0.00 0.00 55.06 54.17 1in1 s HIS 890 Cb 0.00 -0.96 0.07 0.00 1.11 0.00 0.00 32.58 32.81 1in1 s HIS 890 CO 0.00 0.27 0.37 0.14 -0.85 0.00 0.00 174.74 174.68 1in1 s VAL 891 N -3.04 -0.38 -0.12 -0.90 -7.23 0.75 0.39 120.40 109.88 1in1 s VAL 891 Ca 0.26 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.30 1in1 s VAL 891 Cb 0.02 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 1in1 s VAL 891 CO 0.09 0.07 1.22 -0.22 -0.31 0.00 0.00 175.10 175.96 1in1 s LEU 892 N 2.12 4.22 0.04 1.32 0.20 0.79 -1.68 118.68 125.69 1in1 s LEU 892 Ca -0.04 1.73 0.00 0.00 0.69 0.00 0.00 54.13 56.51 1in1 s LEU 892 Cb -0.11 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1in1 s LEU 892 CO -0.12 -0.68 0.00 0.61 -0.29 0.00 0.00 176.35 175.88 1in1 n GLY 893 N 3.49 -3.06 0.00 7.98 0.00 0.23 -4.51 105.19 109.31 1in1 n GLY 893 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1in1 n GLY 893 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1in1 n SER 894 N 1.88 0.00 0.00 1.61 7.64 -1.26 -4.99 113.62 118.50 1in1 n SER 894 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1in1 n SER 894 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1in1 n SER 894 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1in1 n ARG 895 N -1.54 0.00 0.00 1.43 1.85 -1.26 -4.42 116.66 112.72 1in1 n ARG 895 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1in1 n ARG 895 Cb 0.00 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.01 1in1 n ARG 895 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1in1 n ASP 896 N -0.83 0.00 -0.30 2.89 2.03 -1.26 0.71 116.55 119.78 1in1 n ASP 896 Ca 0.00 0.00 0.25 0.00 0.52 0.00 0.00 54.79 55.56 1in1 n ASP 896 Cb 0.00 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 40.81 1in1 n ASP 896 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1in1 n LYS 897 N -0.52 -0.02 -3.20 -0.67 -0.00 -1.26 -3.05 118.16 109.44 1in1 n LYS 897 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1in1 n LYS 897 Cb 0.00 -1.42 -0.02 0.00 -0.00 0.00 0.00 35.03 33.59 1in1 n LYS 897 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1in1 s ASN 898 N -4.29 -1.17 0.11 -5.58 2.47 3.41 -4.21 114.94 105.68 1in1 s ASN 898 Ca -0.04 -0.23 0.21 0.00 0.42 0.00 0.00 52.86 53.22 1in1 s ASN 898 Cb 0.17 1.81 0.85 0.00 -1.45 0.00 0.00 41.25 42.63 1in1 s ASN 898 CO 0.48 -0.27 1.64 -0.81 -3.72 0.00 0.00 177.10 174.42 1in1 n PRO 899 N 5.10 0.09 0.00 0.43 -0.04 -1.07 -1.96 135.00 137.56 1in1 n PRO 899 Ca 0.06 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1in1 n PRO 899 Cb 0.54 -1.66 0.56 0.00 -0.04 0.00 0.00 33.50 32.90 1in1 n PRO 899 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1in1 n ALA 900 N -1.62 2.66 -1.71 0.55 0.00 -1.26 -4.86 120.51 114.27 1in1 n ALA 900 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1in1 n ALA 900 Cb 0.24 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1in1 n ALA 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1in1 n ALA 901 N -0.12 0.00 -3.12 0.00 0.00 -0.83 -4.72 120.51 111.72 1in1 n ALA 901 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 1in1 n ALA 901 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1in1 n ALA 901 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1in1 s GLN 902 N 2.47 1.80 -1.34 0.00 -1.52 -0.79 -4.77 119.66 115.51 1in1 s GLN 902 Ca 0.00 -0.54 -0.07 0.00 -1.95 0.00 0.00 55.36 52.80 1in1 s GLN 902 Cb 0.00 -1.52 0.11 0.00 -0.22 0.00 0.00 33.01 31.39 1in1 s GLN 902 CO 0.00 0.16 2.29 1.04 -0.25 0.00 0.00 175.29 178.53 1in1 n GLN 903 N 3.41 4.20 -2.13 2.91 6.02 -1.21 0.27 117.38 130.84 1in1 n GLN 903 Ca -0.20 -3.34 -0.27 0.00 -0.01 0.00 0.00 57.00 53.18 1in1 n GLN 903 Cb 0.53 -2.75 0.09 0.00 1.02 0.00 0.00 30.24 29.13 1in1 n GLN 903 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1in1 s VAL 904 N -0.31 2.18 0.00 5.09 -7.23 -0.68 -3.41 120.40 116.05 1in1 s VAL 904 Ca 0.51 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1in1 s VAL 904 Cb 0.16 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1in1 s VAL 904 CO -0.06 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.49 1in1 n SER 905 N -3.09 1.00 0.18 4.85 2.88 0.00 0.75 113.62 120.20 1in1 n SER 905 Ca 0.09 -0.73 0.04 0.00 -1.33 0.00 0.00 58.87 56.94 1in1 n SER 905 Cb 0.60 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.36 1in1 n SER 905 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1in1 h PRO 906 N 0.00 0.00 0.00 -1.46 0.13 -1.98 -2.84 132.00 125.86 1in1 h PRO 906 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1in1 h PRO 906 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1in1 h PRO 906 CO 0.00 0.42 -0.57 0.93 -0.23 0.00 0.00 178.00 178.55 1in1 h GLU 907 N 0.00 0.00 -0.14 0.86 3.07 -1.96 -3.08 114.58 113.34 1in1 h GLU 907 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1in1 h GLU 907 Cb 0.94 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1in1 h GLU 907 CO 0.05 0.57 -0.08 2.35 -1.40 0.00 0.00 179.01 180.51 1in1 h TRP 908 N 0.00 0.34 -0.18 4.33 7.01 -1.84 0.24 115.95 125.85 1in1 h TRP 908 Ca -0.01 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 60.96 1in1 h TRP 908 Cb 1.10 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 28.03 1in1 h TRP 908 CO 0.00 0.64 -0.20 0.82 -2.79 0.00 0.00 178.44 176.91 1in1 h ILE 909 N -0.05 0.48 0.75 2.65 5.03 -1.52 1.54 117.51 126.38 1in1 h ILE 909 Ca 0.03 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.73 1in1 h ILE 909 Cb 0.56 0.48 0.01 0.00 -3.03 0.00 0.00 36.82 34.84 1in1 h ILE 909 CO 0.02 0.00 -0.36 -0.50 -0.68 0.00 0.00 178.15 176.63 1in1 h TRP 910 N -0.23 -0.94 -0.84 1.37 -0.00 -1.54 0.64 115.95 114.42 1in1 h TRP 910 Ca 0.12 -0.02 0.18 0.00 -0.00 0.00 0.00 58.89 59.16 1in1 h TRP 910 Cb 0.40 0.31 -0.06 0.00 -0.00 0.00 0.00 29.16 29.81 1in1 h TRP 910 CO -0.33 -0.56 0.56 0.00 -0.00 0.00 0.00 178.44 178.10 1in1 h ALA 911 N -1.00 2.17 -0.91 1.49 0.00 -0.71 0.73 119.26 121.03 1in1 h ALA 911 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1in1 h ALA 911 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1in1 h ALA 911 CO 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1in1 h ILE 913 N 0.00 0.26 -0.00 0.00 2.10 0.41 2.49 117.51 122.77 1in1 h ILE 913 Ca 0.00 -0.02 -0.17 0.00 1.08 0.00 0.00 64.86 65.76 1in1 h ILE 913 Cb 0.00 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 35.91 1in1 h ILE 913 CO 0.00 0.01 -0.79 -0.09 -1.08 0.00 0.00 178.15 176.20 1in1 h ARG 914 N 0.05 0.00 -0.09 2.19 2.43 0.41 -2.90 114.38 116.47 1in1 h ARG 914 Ca 0.71 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1in1 h ARG 914 Cb 2.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.21 1in1 h ARG 914 CO -0.10 0.79 0.00 1.63 -1.51 0.00 0.00 179.97 180.78 1in1 n LYS 915 N -3.61 1.81 -0.69 0.20 4.76 0.81 -4.89 118.16 116.55 1in1 n LYS 915 Ca -0.01 -1.19 -0.01 0.00 -2.87 0.00 0.00 58.31 54.24 1in1 n LYS 915 Cb 0.76 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1in1 n LYS 915 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1in1 n ARG 916 N 0.43 -1.97 -3.66 1.97 3.00 0.60 -4.83 116.66 112.20 1in1 n ARG 916 Ca 0.18 0.35 -0.08 0.00 -0.01 0.00 0.00 57.85 58.29 1in1 n ARG 916 Cb 0.39 -4.19 -0.09 0.00 0.00 0.00 0.00 32.46 28.56 1in1 n ARG 916 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1in1 s ARG 917 N -1.40 0.41 -0.22 5.56 1.04 -1.20 -4.26 118.95 118.88 1in1 s ARG 917 Ca 0.00 1.05 -0.43 0.00 -1.04 0.00 0.00 55.73 55.31 1in1 s ARG 917 Cb 0.00 0.30 -0.20 0.00 -2.04 0.00 0.00 34.95 33.01 1in1 s ARG 917 CO 0.00 -0.21 1.29 1.28 -0.04 0.00 0.00 175.30 177.62 1in1 n LEU 918 N 5.00 0.53 0.00 -1.89 7.99 -1.03 -4.69 117.00 122.91 1in1 n LEU 918 Ca -0.14 1.16 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 1in1 n LEU 918 Cb 0.52 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 1in1 n LEU 918 CO 0.01 -1.42 0.00 1.33 -1.51 0.00 0.00 177.39 175.81 1in1 n VAL 919 N 2.58 0.00 -2.29 4.08 0.24 -1.26 -5.02 118.33 116.66 1in1 n VAL 919 Ca 0.25 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.12 1in1 n VAL 919 Cb 0.02 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.39 1in1 n VAL 919 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1in1 s ALA 920 N -2.01 3.22 0.07 2.33 0.00 -1.26 -4.97 121.76 119.13 1in1 s ALA 920 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 1in1 s ALA 920 Cb 0.00 -3.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 1in1 s ALA 920 CO 0.00 -2.05 1.27 -1.25 0.00 0.00 0.00 175.76 173.73 1in1 s PRO 921 N 4.62 4.39 0.00 0.00 0.04 -1.26 -4.90 135.00 137.89 1in1 s PRO 921 Ca 0.63 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1in1 s PRO 921 Cb -0.18 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1in1 s PRO 921 CO 0.28 -0.33 0.00 0.00 0.04 0.00 0.00 177.00 176.99