#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 0.00 -0.20 1.61 3.41 -1.26 -2.34 113.62 114.84 1in1 n SER 836 Ca 0.00 0.79 -0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1in1 n SER 836 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1in1 n ALA 837 N -1.86 -0.31 -0.40 7.33 0.00 -1.26 0.37 120.51 124.38 1in1 n ALA 837 Ca 0.00 0.41 0.32 0.00 0.00 0.00 0.00 53.44 54.17 1in1 n ALA 837 Cb 0.00 0.09 0.60 0.00 0.00 0.00 0.00 19.45 20.14 1in1 n ALA 837 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1in1 h ASP 838 N 0.00 0.31 0.74 0.00 3.04 -1.92 3.29 116.42 121.88 1in1 h ASP 838 Ca 0.08 0.13 -0.08 0.00 -3.24 0.00 0.00 57.03 53.92 1in1 h ASP 838 Cb 0.20 0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 1in1 h ASP 838 CO -0.45 -0.12 -1.32 -0.62 -2.04 0.00 0.00 179.24 174.70 1in1 n GLU 839 N -4.71 0.62 0.00 4.15 -0.58 0.87 -3.50 120.64 117.49 1in1 n GLU 839 Ca 0.34 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1in1 n GLU 839 Cb 1.26 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1in1 n GLU 839 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1in1 n THR 840 N -2.72 0.00 0.00 2.62 -1.04 1.15 -4.35 114.28 109.94 1in1 n THR 840 Ca -0.05 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1in1 n THR 840 Cb 0.69 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 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 -2.44 0.00 0.00 -4.42 -0.00 0.97 -2.21 117.00 108.89 1in1 n LEU 841 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1in1 n LEU 841 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1in1 n LEU 841 CO 0.00 -0.03 0.49 0.00 -0.00 0.00 0.00 177.39 177.85 1in1 n GLN 843 N -1.48 3.01 -2.83 0.00 6.02 -0.94 -4.98 117.38 116.18 1in1 n GLN 843 Ca 0.00 -3.88 -0.00 0.00 -0.01 0.00 0.00 57.00 53.11 1in1 n GLN 843 Cb 0.00 -2.26 -0.00 0.00 1.02 0.00 0.00 30.24 29.00 1in1 n GLN 843 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1in1 n THR 844 N -0.53 -1.41 0.00 5.09 -1.04 -0.80 0.71 114.28 116.30 1in1 n THR 844 Ca 0.49 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.65 1in1 n THR 844 Cb 0.41 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.43 1in1 n THR 844 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1in1 n LYS 845 N 2.39 0.00 0.00 -2.82 4.01 -1.25 -4.36 118.16 116.13 1in1 n LYS 845 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1in1 n LYS 845 Cb 0.03 -0.54 0.00 0.00 -0.51 0.00 0.00 35.03 34.00 1in1 n LYS 845 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1in1 n VAL 846 N 0.54 0.00 0.00 -0.18 0.24 0.22 -4.64 118.33 114.51 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 0.00 1.34 7.99 -1.26 -5.03 117.00 120.04 1in1 n LEU 847 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1in1 n LEU 847 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1in1 n LEU 847 CO 0.00 0.00 0.00 0.18 -1.51 0.00 0.00 177.39 176.06 1in1 n LEU 848 N 0.00 0.00 -2.83 2.23 4.77 -1.26 -4.62 117.00 115.29 1in1 n LEU 848 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1in1 n LEU 848 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1in1 n LEU 848 CO 0.00 0.00 2.55 -0.90 -1.33 0.00 0.00 177.39 177.71 1in1 n ASP 849 N -0.22 6.66 0.00 -1.43 5.68 -1.26 -4.62 116.55 121.36 1in1 n ASP 849 Ca 0.00 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.83 1in1 n ASP 849 Cb 0.00 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 38.60 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 3.31 0.00 0.00 2.12 2.08 -1.22 -3.59 119.36 122.05 1in1 n ILE 850 Ca 0.59 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.90 1in1 n ILE 850 Cb 0.43 -0.04 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 -0.70 1.39 3.72 -1.26 -1.73 117.46 118.88 1in1 n PHE 851 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1in1 n PHE 851 Cb 0.00 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 38.43 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 0.66 0.00 0.00 4.37 5.66 -1.26 0.33 114.28 124.04 1in1 n THR 852 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1in1 n THR 852 Cb 0.00 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 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 3.74 0.89 2.58 1.09 0.00 -1.25 -4.87 105.19 107.37 1in1 n GLY 853 Ca 0.31 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.85 1in1 n GLY 853 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1in1 n VAL 854 N 0.00 0.00 -3.44 1.61 0.31 1.01 -4.23 118.33 113.59 1in1 n VAL 854 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1in1 n VAL 854 Cb 0.00 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 1in1 n VAL 854 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1in1 s ARG 855 N 4.35 3.51 -0.12 5.55 1.70 -1.26 -3.70 118.95 128.99 1in1 s ARG 855 Ca 0.92 -2.75 -0.06 0.00 -0.47 0.00 0.00 55.73 53.37 1in1 s ARG 855 Cb -1.17 -4.27 -0.04 0.00 -0.57 0.00 0.00 34.95 28.90 1in1 s ARG 855 CO 0.53 -1.25 0.11 -0.48 -1.08 0.00 0.00 175.30 173.12 1in1 s LEU 856 N -0.39 4.19 -0.84 -1.89 0.05 -1.19 2.46 118.68 121.06 1in1 s LEU 856 Ca 0.22 0.37 -0.25 0.00 0.05 0.00 0.00 54.13 54.52 1in1 s LEU 856 Cb -0.12 -2.01 0.03 0.00 -2.05 0.00 0.00 46.19 42.04 1in1 s LEU 856 CO -0.08 0.38 1.44 -0.47 -0.55 0.00 0.00 176.35 177.07 1in1 s TYR 857 N -0.87 2.28 -0.37 3.48 5.04 0.80 -4.35 117.35 123.37 1in1 s TYR 857 Ca 0.14 -0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.26 1in1 s TYR 857 Cb -0.12 -4.57 0.01 0.00 0.35 0.00 0.00 41.96 37.64 1in1 s TYR 857 CO 0.03 -2.03 1.26 -1.17 -1.34 0.00 0.00 175.55 172.31 1in1 s LEU 858 N 6.05 3.76 0.43 6.97 2.96 -1.26 0.58 118.68 138.17 1in1 s LEU 858 Ca 0.44 0.92 -0.24 0.00 -0.22 0.00 0.00 54.13 55.04 1in1 s LEU 858 Cb -0.05 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1in1 s LEU 858 CO 0.05 -1.18 1.11 -2.16 -1.32 0.00 0.00 176.35 172.85 1in1 s PRO 859 N 4.36 3.96 0.46 0.98 0.04 -1.26 -4.92 135.00 138.62 1in1 s PRO 859 Ca 0.54 1.65 0.26 0.00 0.04 0.00 0.00 61.00 63.50 1in1 s PRO 859 Cb -0.13 -2.48 0.94 0.00 0.04 0.00 0.00 34.50 32.87 1in1 s PRO 859 CO 0.26 -0.35 1.83 -1.00 0.04 0.00 0.00 177.00 177.78 1in1 h PRO 860 N 2.28 0.00 0.00 0.56 0.13 -1.99 -2.55 132.00 130.43 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 0.15 0.00 0.77 -0.23 0.00 0.00 178.00 179.31 1in1 h SER 861 N 0.00 0.00 -3.99 1.44 0.02 -2.02 -3.45 113.55 105.54 1in1 h SER 861 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1in1 h SER 861 Cb 0.74 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.38 1in1 h SER 861 CO 0.02 0.00 0.61 0.28 -1.14 0.00 0.00 176.83 176.60 1in1 s THR 862 N -3.34 2.45 0.43 -2.27 -1.32 -0.96 -4.98 115.64 105.65 1in1 s THR 862 Ca 0.06 0.37 -0.23 0.00 -1.21 0.00 0.00 61.69 60.67 1in1 s THR 862 Cb 0.08 -3.21 -0.08 0.00 -1.51 0.00 0.00 72.50 67.79 1in1 s THR 862 CO 0.58 0.03 1.11 -2.16 -2.21 0.00 0.00 174.62 171.97 1in1 s PRO 863 N -2.54 3.96 0.00 7.08 0.04 -1.26 -2.67 135.00 139.60 1in1 s PRO 863 Ca 0.63 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1in1 s PRO 863 Cb -0.38 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1in1 s PRO 863 CO 0.48 -0.35 0.00 -0.25 0.04 0.00 0.00 177.00 176.91 1in1 n ASP 864 N -0.28 -4.76 -0.23 6.66 8.00 -1.26 -4.84 116.55 119.83 1in1 n ASP 864 Ca 0.06 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.52 1in1 n ASP 864 Cb 0.49 -2.77 0.02 0.00 -0.02 0.00 0.00 41.12 38.84 1in1 n ASP 864 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1in1 h PHE 865 N 0.00 -0.88 -0.85 1.24 3.57 -1.84 0.41 116.94 118.59 1in1 h PHE 865 Ca 0.00 0.08 0.29 0.00 3.53 0.00 0.00 57.97 61.86 1in1 h PHE 865 Cb 0.70 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.85 1in1 h PHE 865 CO 0.44 -0.38 0.56 0.45 -2.23 0.00 0.00 178.31 177.15 1in1 n SER 866 N -5.45 0.10 -0.07 0.41 2.88 -1.26 -0.68 113.62 109.56 1in1 n SER 866 Ca 0.06 0.77 -0.06 0.00 -1.33 0.00 0.00 58.87 58.30 1in1 n SER 866 Cb 0.36 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 1in1 n SER 866 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1in1 n ARG 867 N -3.73 0.42 -0.19 -1.46 5.12 0.13 -3.88 116.66 113.08 1in1 n ARG 867 Ca 0.24 0.26 0.05 0.00 -1.93 0.00 0.00 57.85 56.47 1in1 n ARG 867 Cb 0.95 -1.35 0.11 0.00 -1.16 0.00 0.00 32.46 31.01 1in1 n ARG 867 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1in1 n LEU 868 N -4.16 -0.14 0.00 0.55 4.77 0.13 0.34 117.00 118.49 1in1 n LEU 868 Ca -0.10 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1in1 n LEU 868 Cb 0.37 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1in1 n LEU 868 CO 0.15 -0.89 0.19 -1.14 -1.33 0.00 0.00 177.39 174.38 1in1 n ARG 869 N -4.77 0.00 -0.41 3.23 0.63 0.15 0.12 116.66 115.61 1in1 n ARG 869 Ca 0.10 0.02 0.33 0.00 -0.92 0.00 0.00 57.85 57.38 1in1 n ARG 869 Cb 0.32 -0.89 0.62 0.00 0.45 0.00 0.00 32.46 32.95 1in1 n ARG 869 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1in1 h ARG 870 N 0.00 0.17 0.23 -0.14 9.65 -1.30 -1.07 114.38 121.91 1in1 h ARG 870 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1in1 h ARG 870 Cb 0.00 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1in1 h ARG 870 CO 0.00 0.11 -0.11 -0.92 2.80 0.00 0.00 179.97 181.85 1in1 h TYR 871 N 0.17 -0.28 0.00 2.20 5.03 0.58 -2.58 116.97 122.09 1in1 h TYR 871 Ca 0.74 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 62.04 1in1 h TYR 871 Cb 2.25 0.09 0.00 0.00 1.55 0.00 0.00 36.73 40.62 1in1 h TYR 871 CO -0.00 -0.17 0.00 0.34 -1.32 0.00 0.00 178.16 177.00 1in1 n PHE 872 N -3.34 0.00 -0.34 -3.82 -0.00 0.33 -0.07 117.46 110.22 1in1 n PHE 872 Ca -0.04 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.69 1in1 n PHE 872 Cb 0.12 0.00 0.46 0.00 -0.00 0.00 0.00 39.48 40.06 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 -0.22 -0.12 0.13 -2.13 3.14 -0.96 0.61 118.33 118.78 1in1 n VAL 873 Ca 0.00 1.10 -0.05 0.00 -2.96 0.00 0.00 64.34 62.43 1in1 n VAL 873 Cb 0.00 -1.80 -0.02 0.00 -1.06 0.00 0.00 33.84 30.95 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 0.91 -1.06 -0.26 1.55 0.00 -0.05 -2.97 119.26 117.38 1in1 h ALA 874 Ca 0.57 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.47 1in1 h ALA 874 Cb 1.98 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1in1 h ALA 874 CO -0.22 -1.03 -0.06 1.19 0.00 0.00 0.00 179.25 179.13 1in1 n PHE 875 N -2.88 0.10 0.00 0.00 3.01 0.20 -4.46 117.46 113.43 1in1 n PHE 875 Ca -0.04 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1in1 n PHE 875 Cb 0.13 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1in1 n PHE 875 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1in1 n ASP 876 N -4.40 0.00 0.00 4.37 9.92 -1.13 -4.83 116.55 120.49 1in1 n ASP 876 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1in1 n ASP 876 Cb 0.14 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1in1 n ASP 876 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1in1 n GLY 877 N 0.00 1.34 3.52 0.44 0.00 -1.21 -3.85 105.19 105.44 1in1 n GLY 877 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.53 -0.08 1.61 1.01 -1.24 -4.72 116.67 111.72 1in1 s ASP 878 Ca 0.00 0.45 0.01 0.00 0.71 0.00 0.00 52.55 53.71 1in1 s ASP 878 Cb 0.00 0.46 0.02 0.00 1.01 0.00 0.00 42.92 44.41 1in1 s ASP 878 CO 0.00 -0.58 -0.09 -0.76 0.21 0.00 0.00 175.17 173.96 1in1 s LEU 879 N -1.52 1.35 -0.07 1.23 1.43 -1.26 -3.16 118.68 116.68 1in1 s LEU 879 Ca -0.05 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1in1 s LEU 879 Cb -0.00 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1in1 s LEU 879 CO 0.02 -0.05 -0.02 -0.69 0.23 0.00 0.00 176.35 175.84 1in1 s VAL 880 N 1.20 4.08 0.17 -1.59 1.01 -1.26 -5.00 120.40 119.01 1in1 s VAL 880 Ca -0.05 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 1in1 s VAL 880 Cb -0.14 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 1in1 s VAL 880 CO -0.02 0.57 1.46 -1.10 0.00 0.00 0.00 175.10 176.02 1in1 s GLN 881 N -0.95 4.27 0.00 2.72 -0.21 -0.62 -4.48 119.66 120.39 1in1 s GLN 881 Ca 0.14 2.24 -0.01 0.00 0.02 0.00 0.00 55.36 57.75 1in1 s GLN 881 Cb -0.11 -3.17 -0.00 0.00 1.00 0.00 0.00 33.01 30.72 1in1 s GLN 881 CO 0.03 -0.48 0.31 -1.91 -2.12 0.00 0.00 175.29 171.11 1in1 n GLU 882 N 3.45 -0.01 0.00 2.91 2.13 -1.26 0.85 120.64 128.71 1in1 n GLU 882 Ca 0.11 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1in1 n GLU 882 Cb 0.40 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 31.66 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 -2.47 0.00 -3.38 4.31 -1.74 -1.26 -3.92 117.46 109.01 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 0.01 -0.03 -0.08 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 -0.95 1.47 0.00 5.98 1.01 4.83 -4.93 116.67 124.08 1in1 s ASP 884 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 52.55 51.57 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 -0.27 0.00 1.15 0.21 0.00 0.00 175.17 176.26 1in1 n MET 885 N 4.21 0.00 0.00 8.23 0.00 -1.24 -1.59 117.12 126.73 1in1 n MET 885 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1in1 n MET 885 Cb 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.29 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 -0.92 0.00 0.65 3.17 -2.24 -1.26 1.43 114.28 115.11 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 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.50 0.63 -3.60 3.42 7.64 -1.26 -4.91 113.62 114.04 1in1 n SER 887 Ca 0.00 -0.34 -0.09 0.00 1.01 0.00 0.00 58.87 59.45 1in1 n SER 887 Cb 0.00 0.85 0.09 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.76 1.86 0.00 -0.43 0.00 14.32 -4.99 120.51 129.50 1in1 n ALA 888 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1in1 n ALA 888 Cb 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.86 0.00 -4.41 0.00 5.66 -1.01 -4.65 114.28 106.01 1in1 n THR 889 Ca 0.04 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.83 1in1 n THR 889 Cb 0.19 -0.39 -0.10 0.00 -1.55 0.00 0.00 70.33 68.48 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 -1.57 1.97 -0.18 1.09 3.76 50.47 -0.98 115.29 169.85 1in1 s HIS 890 Ca 0.00 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.32 1in1 s HIS 890 Cb 0.00 -0.95 0.08 0.00 1.11 0.00 0.00 32.58 32.81 1in1 s HIS 890 CO 0.00 0.46 0.38 0.14 -0.85 0.00 0.00 174.74 174.87 1in1 s VAL 891 N -2.82 -0.44 -0.20 -0.90 -7.23 0.80 0.28 120.40 109.89 1in1 s VAL 891 Ca 0.27 0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 60.31 1in1 s VAL 891 Cb -0.01 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 1in1 s VAL 891 CO 0.11 0.07 1.22 -0.22 -0.31 0.00 0.00 175.10 175.97 1in1 s LEU 892 N 2.24 4.13 0.13 1.32 0.20 0.20 -1.68 118.68 125.21 1in1 s LEU 892 Ca -0.03 1.57 0.00 0.00 0.69 0.00 0.00 54.13 56.35 1in1 s LEU 892 Cb -0.11 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 1in1 s LEU 892 CO -0.12 -0.78 0.00 0.61 -0.29 0.00 0.00 176.35 175.77 1in1 n GLY 893 N 3.64 -4.86 0.27 7.98 0.00 0.14 -4.59 105.19 107.76 1in1 n GLY 893 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 1.91 -1.62 0.00 1.61 7.64 -1.26 -4.99 113.62 116.92 1in1 n SER 894 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1in1 n SER 894 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 -2.83 0.00 0.00 1.43 1.85 -1.26 -4.47 116.66 111.38 1in1 n ARG 895 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1in1 n ARG 895 Cb 0.13 -0.35 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 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 -0.76 0.00 -0.37 2.89 2.03 -1.26 0.72 116.55 119.80 1in1 n ASP 896 Ca 0.00 0.00 0.30 0.00 0.52 0.00 0.00 54.79 55.61 1in1 n ASP 896 Cb 0.00 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.74 -0.01 -3.16 -0.67 -0.00 -1.26 -3.15 118.16 109.16 1in1 n LYS 897 Ca 0.00 0.75 0.03 0.00 -0.00 0.00 0.00 58.31 59.09 1in1 n LYS 897 Cb 0.00 -1.59 -0.00 0.00 -0.00 0.00 0.00 35.03 33.44 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 -4.17 -1.57 0.17 -5.58 2.47 3.55 -4.16 114.94 105.65 1in1 s ASN 898 Ca -0.04 -0.12 0.22 0.00 0.42 0.00 0.00 52.86 53.35 1in1 s ASN 898 Cb 0.19 1.98 0.89 0.00 -1.45 0.00 0.00 41.25 42.86 1in1 s ASN 898 CO 0.55 -0.25 1.68 -0.81 -3.72 0.00 0.00 177.10 174.55 1in1 n PRO 899 N 5.09 0.15 0.00 0.43 -0.04 -1.08 -1.97 135.00 137.57 1in1 n PRO 899 Ca 0.07 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1in1 n PRO 899 Cb 0.55 -1.75 0.59 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.69 2.71 -1.64 0.55 0.00 -1.26 -4.85 120.51 114.33 1in1 n ALA 900 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1in1 n ALA 900 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.38 0.00 -3.18 0.00 0.00 -0.83 -4.71 120.51 111.41 1in1 n ALA 901 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1in1 n ALA 901 Cb 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 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 2.24 2.09 -1.37 0.00 -1.52 -0.15 -4.76 119.66 116.19 1in1 s GLN 902 Ca 0.00 -0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 52.72 1in1 s GLN 902 Cb 0.00 -1.70 0.10 0.00 -0.22 0.00 0.00 33.01 31.19 1in1 s GLN 902 CO 0.00 0.15 2.32 1.04 -0.25 0.00 0.00 175.29 178.55 1in1 n GLN 903 N 3.48 4.07 -2.01 2.91 6.02 -1.23 0.28 117.38 130.89 1in1 n GLN 903 Ca -0.20 -3.23 -0.28 0.00 -0.01 0.00 0.00 57.00 53.28 1in1 n GLN 903 Cb 0.52 -2.78 0.08 0.00 1.02 0.00 0.00 30.24 29.08 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 0.08 2.13 0.09 5.09 -7.23 -0.68 -3.20 120.40 116.68 1in1 s VAL 904 Ca 0.52 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1in1 s VAL 904 Cb 0.16 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 1in1 s VAL 904 CO -0.06 -0.01 0.02 -1.54 -0.31 0.00 0.00 175.10 173.19 1in1 n SER 905 N -3.17 1.57 0.17 4.85 3.41 -1.26 0.25 113.62 119.44 1in1 n SER 905 Ca 0.08 -1.43 0.03 0.00 -0.26 0.00 0.00 58.87 57.29 1in1 n SER 905 Cb 0.61 0.14 0.28 0.00 -0.26 0.00 0.00 64.21 64.98 1in1 n SER 905 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1in1 h PRO 906 N 0.00 0.00 0.00 4.33 0.13 -1.99 -2.76 132.00 131.71 1in1 h PRO 906 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1in1 h PRO 906 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1in1 h PRO 906 CO 0.12 0.45 -0.27 0.93 -0.23 0.00 0.00 178.00 179.00 1in1 h GLU 907 N 0.00 0.00 0.28 0.86 3.07 -1.98 -3.24 114.58 113.58 1in1 h GLU 907 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1in1 h GLU 907 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1in1 h GLU 907 CO 0.06 0.27 -0.14 2.35 -1.40 0.00 0.00 179.01 180.15 1in1 h TRP 908 N 0.00 -0.35 -0.62 4.33 7.01 -1.84 -2.30 115.95 122.17 1in1 h TRP 908 Ca -0.00 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.10 1in1 h TRP 908 Cb 0.93 0.12 -0.12 0.00 -2.10 0.00 0.00 29.16 27.99 1in1 h TRP 908 CO 0.00 -0.02 -0.34 0.82 -2.79 0.00 0.00 178.44 176.12 1in1 h ILE 909 N -0.75 0.16 0.03 2.65 2.04 -1.59 0.60 117.51 120.65 1in1 h ILE 909 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1in1 h ILE 909 Cb 0.50 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1in1 h ILE 909 CO 0.06 0.00 -0.05 -0.50 0.00 0.00 0.00 178.15 177.67 1in1 h TRP 910 N -0.15 -0.13 -0.95 1.37 -0.00 -1.59 1.64 115.95 116.13 1in1 h TRP 910 Ca 0.24 0.00 0.30 0.00 -0.00 0.00 0.00 58.89 59.43 1in1 h TRP 910 Cb 0.55 0.05 -0.16 0.00 -0.00 0.00 0.00 29.16 29.61 1in1 h TRP 910 CO -0.65 -0.06 0.31 0.00 -0.00 0.00 0.00 178.44 178.04 1in1 h ALA 911 N -1.60 1.56 0.65 1.49 0.00 -0.90 0.34 119.26 120.81 1in1 h ALA 911 Ca -0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1in1 h ALA 911 Cb 0.07 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1in1 h ALA 911 CO -0.01 -0.61 -0.31 0.00 0.00 0.00 0.00 179.25 178.31 1in1 n ILE 913 N -5.36 -0.49 0.37 0.00 5.41 0.55 0.97 119.36 120.80 1in1 n ILE 913 Ca -0.11 1.86 -0.15 0.00 1.00 0.00 0.00 62.75 65.35 1in1 n ILE 913 Cb 0.35 -2.35 -0.07 0.00 -0.71 0.00 0.00 39.64 36.86 1in1 n ILE 913 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1in1 h ARG 914 N 0.00 -0.93 -0.43 0.38 1.12 -1.33 -2.59 114.38 110.59 1in1 h ARG 914 Ca 0.17 0.06 0.13 0.00 -1.11 0.00 0.00 59.98 59.23 1in1 h ARG 914 Cb 0.37 0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 1in1 h ARG 914 CO -0.74 -0.62 0.94 0.87 -3.11 0.00 0.00 179.97 177.31 1in1 h LYS 915 N -1.24 0.00 0.00 0.20 1.79 0.12 -3.42 116.57 114.02 1in1 h LYS 915 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1in1 h LYS 915 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1in1 h LYS 915 CO 0.16 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.07 1in1 n ARG 916 N -2.95 0.00 -3.68 3.15 5.12 0.27 -4.88 116.66 113.68 1in1 n ARG 916 Ca 0.09 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.81 1in1 n ARG 916 Cb 1.08 -3.48 -0.18 0.00 -1.16 0.00 0.00 32.46 28.73 1in1 n ARG 916 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1in1 s ARG 917 N -0.32 0.03 -0.04 5.56 3.03 -1.23 -3.46 118.95 122.52 1in1 s ARG 917 Ca 0.00 0.33 -0.23 0.00 2.03 0.00 0.00 55.73 57.86 1in1 s ARG 917 Cb 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 34.95 33.20 1in1 s ARG 917 CO 0.00 -0.33 0.64 1.28 -1.13 0.00 0.00 175.30 175.76 1in1 n LEU 918 N 5.28 0.10 0.00 -1.89 7.99 -0.70 -4.76 117.00 123.01 1in1 n LEU 918 Ca -0.04 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.61 1in1 n LEU 918 Cb 0.50 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1in1 n LEU 918 CO 0.07 -0.97 0.00 1.33 -1.51 0.00 0.00 177.39 176.30 1in1 n VAL 919 N 1.05 0.00 -1.91 4.08 0.24 -1.26 -5.02 118.33 115.51 1in1 n VAL 919 Ca 0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.99 1in1 n VAL 919 Cb 0.03 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.54 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 -2.00 3.11 0.02 2.33 0.00 -1.26 -4.94 121.76 119.02 1in1 s ALA 920 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1in1 s ALA 920 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 1in1 s ALA 920 CO 0.00 -2.23 1.30 -1.25 0.00 0.00 0.00 175.76 173.59 1in1 s PRO 921 N 5.23 4.34 0.00 0.00 0.04 -1.26 -4.92 135.00 138.44 1in1 s PRO 921 Ca 0.82 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1in1 s PRO 921 Cb -0.29 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1in1 s PRO 921 CO 0.33 -0.45 0.00 0.00 0.04 0.00 0.00 177.00 176.92