#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 -0.12 1.61 3.41 -1.26 -4.33 113.62 112.92 1in1 n SER 836 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1in1 n SER 836 Cb 0.00 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1in1 h ALA 837 N -1.11 -0.74 -0.04 7.33 0.00 -1.97 1.51 119.26 124.24 1in1 h ALA 837 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1in1 h ALA 837 Cb 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1in1 h ALA 837 CO 0.00 -1.03 0.38 -0.44 0.00 0.00 0.00 179.25 178.16 1in1 h ASP 838 N -0.41 0.00 -0.01 0.00 3.32 -1.92 1.78 116.42 119.18 1in1 h ASP 838 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1in1 h ASP 838 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1in1 h ASP 838 CO -0.58 0.00 -0.47 -0.62 -1.72 0.00 0.00 179.24 175.86 1in1 n GLU 839 N -2.95 1.38 0.00 3.56 1.02 0.42 -4.10 120.64 119.97 1in1 n GLU 839 Ca -0.01 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1in1 n GLU 839 Cb 0.44 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.23 0.00 0.26 2.62 -1.04 0.54 -4.73 114.28 111.70 1in1 n THR 840 Ca 0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.11 1in1 n THR 840 Cb 0.39 -0.55 0.12 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.43 0.00 0.09 -4.42 -0.00 0.21 -2.27 117.00 109.18 1in1 n LEU 841 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 1in1 n LEU 841 Cb 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 43.78 1in1 n LEU 841 CO 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 177.39 178.11 1in1 n GLN 843 N -1.94 4.78 0.00 0.00 1.13 -0.96 -4.85 117.38 115.54 1in1 n GLN 843 Ca 0.00 -4.03 0.00 0.00 -1.94 0.00 0.00 57.00 51.03 1in1 n GLN 843 Cb 0.07 -2.59 0.00 0.00 0.11 0.00 0.00 30.24 27.83 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 1.23 0.00 -0.68 5.09 5.66 -1.20 -0.60 114.28 123.78 1in1 n THR 844 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 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 1.17 -3.05 0.00 0.00 175.07 173.19 1in1 n LYS 845 N 0.00 0.00 0.00 1.09 3.00 -1.25 -5.02 118.16 115.98 1in1 n LYS 845 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1in1 n LYS 845 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1in1 n LYS 845 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1in1 n VAL 846 N 0.00 0.00 0.00 3.15 0.24 0.23 -4.59 118.33 117.36 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 -0.67 1.34 7.99 -1.26 -4.88 117.00 119.52 1in1 n LEU 847 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.08 1in1 n LEU 847 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 1in1 n LEU 847 CO 0.00 0.00 -0.25 0.18 -1.51 0.00 0.00 177.39 175.81 1in1 n LEU 848 N 0.00 -0.44 -2.88 2.23 4.77 -1.26 -4.23 117.00 115.19 1in1 n LEU 848 Ca 0.00 1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 56.70 1in1 n LEU 848 Cb 0.00 -1.84 -0.08 0.00 -2.33 0.00 0.00 43.42 39.17 1in1 n LEU 848 CO 0.00 -1.22 2.83 -0.90 -1.33 0.00 0.00 177.39 176.77 1in1 n ASP 849 N -3.23 7.63 0.00 -1.43 5.68 -1.26 -4.68 116.55 119.25 1in1 n ASP 849 Ca -0.03 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1in1 n ASP 849 Cb 0.32 -1.51 0.00 0.00 -1.14 0.00 0.00 41.12 38.78 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 3.22 0.00 0.00 2.12 2.08 -1.26 -3.49 119.36 122.03 1in1 n ILE 850 Ca 0.67 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.98 1in1 n ILE 850 Cb 0.45 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 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 -1.34 1.39 3.72 -1.26 -2.87 117.46 117.10 1in1 n PHE 851 Ca 0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 1in1 n PHE 851 Cb 0.00 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.98 0.00 -1.14 4.37 5.66 -1.26 0.54 114.28 123.43 1in1 n THR 852 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1in1 n THR 852 Cb 0.00 -0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 68.28 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 6.72 0.66 3.46 1.09 0.00 -1.25 -4.90 105.19 110.97 1in1 n GLY 853 Ca 0.59 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.83 4.59 -0.92 1.61 1.01 2.15 -4.89 120.40 122.11 1in1 s VAL 854 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1in1 s VAL 854 Cb 0.00 -4.48 0.16 0.00 0.00 0.00 0.00 36.38 32.06 1in1 s VAL 854 CO 0.00 -1.09 1.05 0.00 0.00 0.00 0.00 175.10 175.06 1in1 s ARG 855 N 3.36 3.64 -0.13 2.72 1.70 -1.26 -3.79 118.95 125.20 1in1 s ARG 855 Ca 0.21 -2.03 -0.06 0.00 -0.47 0.00 0.00 55.73 53.38 1in1 s ARG 855 Cb -0.17 -4.79 -0.04 0.00 -0.57 0.00 0.00 34.95 29.38 1in1 s ARG 855 CO 0.13 -1.63 0.09 -0.48 -1.08 0.00 0.00 175.30 172.33 1in1 s LEU 856 N 1.87 4.08 -0.63 -1.89 0.05 -1.12 2.12 118.68 123.16 1in1 s LEU 856 Ca 0.29 0.31 -0.27 0.00 0.05 0.00 0.00 54.13 54.51 1in1 s LEU 856 Cb -0.06 -1.99 0.01 0.00 -2.05 0.00 0.00 46.19 42.10 1in1 s LEU 856 CO -0.09 0.35 1.44 -0.47 -0.55 0.00 0.00 176.35 177.03 1in1 s TYR 857 N -0.67 2.19 -0.44 3.48 5.04 1.55 -4.27 117.35 124.22 1in1 s TYR 857 Ca 0.12 0.34 -0.28 0.00 -2.44 0.00 0.00 57.07 54.82 1in1 s TYR 857 Cb -0.12 -4.43 0.03 0.00 0.35 0.00 0.00 41.96 37.79 1in1 s TYR 857 CO 0.02 -2.06 1.04 -1.17 -1.34 0.00 0.00 175.55 172.05 1in1 s LEU 858 N 6.42 3.82 0.43 6.97 2.96 -1.26 0.27 118.68 138.29 1in1 s LEU 858 Ca 0.49 0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 54.61 1in1 s LEU 858 Cb -0.10 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 1in1 s LEU 858 CO 0.21 -1.11 1.11 -2.16 -1.32 0.00 0.00 176.35 173.08 1in1 s PRO 859 N 4.05 3.97 0.50 0.98 0.04 -1.26 -4.87 135.00 138.42 1in1 s PRO 859 Ca 0.43 1.65 0.29 0.00 0.04 0.00 0.00 61.00 63.42 1in1 s PRO 859 Cb -0.09 -2.49 1.06 0.00 0.04 0.00 0.00 34.50 33.02 1in1 s PRO 859 CO 0.27 -0.34 1.87 -1.00 0.04 0.00 0.00 177.00 177.84 1in1 h PRO 860 N 2.31 0.00 0.00 0.56 0.13 -1.99 -2.38 132.00 130.63 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 0.06 -0.21 0.43 -0.23 0.00 0.00 178.00 178.67 1in1 n SER 861 N -3.16 0.33 -4.77 1.44 7.64 -1.26 -4.86 113.62 108.98 1in1 n SER 861 Ca 0.01 0.26 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 1in1 n SER 861 Cb 0.38 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 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 -3.03 2.93 0.38 0.44 2.01 -0.90 -4.99 115.64 112.48 1in1 s THR 862 Ca 0.12 0.84 -0.26 0.00 0.31 0.00 0.00 61.69 62.71 1in1 s THR 862 Cb 0.17 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1in1 s THR 862 CO 0.61 0.13 1.13 -2.16 -0.69 0.00 0.00 174.62 173.64 1in1 s PRO 863 N -2.08 4.20 -0.54 4.92 0.04 -1.26 -2.76 135.00 137.51 1in1 s PRO 863 Ca 0.54 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1in1 s PRO 863 Cb -0.35 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1in1 s PRO 863 CO 0.45 -0.17 0.00 -0.25 0.04 0.00 0.00 177.00 177.07 1in1 n ASP 864 N 0.25 -4.48 -0.24 6.66 9.92 -1.26 -4.88 116.55 122.52 1in1 n ASP 864 Ca 0.03 0.13 0.02 0.00 -0.53 0.00 0.00 54.79 54.44 1in1 n ASP 864 Cb 0.47 -2.43 0.11 0.00 -0.64 0.00 0.00 41.12 38.63 1in1 n ASP 864 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1in1 h PHE 865 N 0.00 -0.22 0.00 1.24 3.57 -1.85 0.19 116.94 119.87 1in1 h PHE 865 Ca -0.10 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1in1 h PHE 865 Cb 0.62 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1in1 h PHE 865 CO 0.33 -0.27 0.00 0.45 -2.23 0.00 0.00 178.31 176.59 1in1 n SER 866 N -5.40 0.00 -0.09 0.41 2.88 -1.26 -0.21 113.62 109.94 1in1 n SER 866 Ca 0.11 0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.76 1in1 n SER 866 Cb 0.40 -0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.88 -0.75 -1.46 -0.00 -1.91 -3.19 114.38 107.95 1in1 h ARG 867 Ca 0.00 -0.53 0.19 0.00 -0.50 0.00 0.00 59.98 59.14 1in1 h ARG 867 Cb 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 29.97 29.88 1in1 h ARG 867 CO 0.00 1.17 -0.04 1.28 0.00 0.00 0.00 179.97 182.38 1in1 n LEU 868 N -4.05 -0.14 0.00 3.04 4.77 0.70 0.96 117.00 122.28 1in1 n LEU 868 Ca -0.04 1.28 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1in1 n LEU 868 Cb 0.60 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1in1 n LEU 868 CO 0.50 -1.27 0.01 -1.14 -1.33 0.00 0.00 177.39 174.15 1in1 n ARG 869 N -5.09 0.00 -0.20 3.23 3.00 0.59 -2.15 116.66 116.04 1in1 n ARG 869 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.96 1in1 n ARG 869 Cb 0.52 -0.34 -0.05 0.00 0.00 0.00 0.00 32.46 32.60 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 -0.04 -0.21 0.00 -0.14 3.00 -1.07 -1.28 116.66 116.92 1in1 n ARG 870 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 1in1 n ARG 870 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.10 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 -4.19 0.00 0.00 -0.14 9.36 0.27 0.17 117.16 122.63 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 0.12 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 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 -1.74 0.00 -0.16 2.98 -0.00 -0.41 -0.11 117.46 118.03 1in1 n PHE 872 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 1in1 n PHE 872 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 39.76 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 -0.30 -2.13 3.14 -1.04 0.56 118.33 118.38 1in1 n VAL 873 Ca 0.00 0.91 0.03 0.00 -2.96 0.00 0.00 64.34 62.32 1in1 n VAL 873 Cb 0.00 -1.49 0.23 0.00 -1.06 0.00 0.00 33.84 31.52 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 0.89 1.49 -0.63 1.55 0.00 0.52 -1.77 119.26 121.31 1in1 h ALA 874 Ca 0.39 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1in1 h ALA 874 Cb 1.07 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1in1 h ALA 874 CO -0.33 0.40 0.14 0.74 0.00 0.00 0.00 179.25 180.19 1in1 h PHE 875 N 1.06 0.21 0.00 0.00 -1.00 1.80 -3.44 116.94 115.57 1in1 h PHE 875 Ca 0.37 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1in1 h PHE 875 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1in1 h PHE 875 CO -0.00 -0.04 0.00 -0.25 -1.61 0.00 0.00 178.31 176.41 1in1 n ASP 876 N -5.13 0.00 -0.08 2.17 9.92 -0.68 -4.82 116.55 117.93 1in1 n ASP 876 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1in1 n ASP 876 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 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 1.85 3.37 0.44 0.00 -1.14 -3.87 105.19 105.84 1in1 n GLY 877 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.40 -0.09 1.61 1.01 -1.25 -4.69 116.67 111.86 1in1 s ASP 878 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.19 1in1 s ASP 878 Cb 0.00 0.52 0.02 0.00 1.01 0.00 0.00 42.92 44.47 1in1 s ASP 878 CO 0.00 -0.85 -0.07 -0.76 0.21 0.00 0.00 175.17 173.70 1in1 s LEU 879 N -2.54 1.23 -0.06 1.23 1.43 -1.26 -2.78 118.68 115.92 1in1 s LEU 879 Ca -0.00 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1in1 s LEU 879 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1in1 s LEU 879 CO -0.09 -0.09 0.03 -0.69 0.23 0.00 0.00 176.35 175.74 1in1 s VAL 880 N 1.44 4.49 0.16 -1.59 1.01 -1.26 -4.97 120.40 119.68 1in1 s VAL 880 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1in1 s VAL 880 Cb -0.13 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1in1 s VAL 880 CO -0.05 0.51 1.33 -1.10 0.00 0.00 0.00 175.10 175.80 1in1 s GLN 881 N -1.21 4.37 0.00 2.72 -0.21 -0.64 -4.31 119.66 120.38 1in1 s GLN 881 Ca 0.17 2.05 0.00 0.00 0.02 0.00 0.00 55.36 57.59 1in1 s GLN 881 Cb -0.12 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.67 1in1 s GLN 881 CO 0.06 -0.32 0.29 -1.91 -2.12 0.00 0.00 175.29 171.30 1in1 n GLU 882 N 3.19 0.00 0.00 2.91 2.13 -1.26 0.84 120.64 128.45 1in1 n GLU 882 Ca 0.08 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1in1 n GLU 882 Cb 0.43 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.69 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 -2.13 0.00 -3.42 4.31 -1.74 -1.26 -3.81 117.46 109.41 1in1 n PHE 883 Ca 0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.67 1in1 n PHE 883 Cb 0.00 -0.00 -0.10 0.00 1.52 0.00 0.00 39.48 40.89 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 -1.54 2.12 0.00 5.98 1.01 4.74 -4.92 116.67 124.06 1in1 s ASP 884 Ca 0.00 -1.63 0.00 0.00 0.71 0.00 0.00 52.55 51.63 1in1 s ASP 884 Cb 0.00 0.12 0.00 0.00 1.01 0.00 0.00 42.92 44.05 1in1 s ASP 884 CO 0.00 -0.32 0.00 1.15 0.21 0.00 0.00 175.17 176.21 1in1 n MET 885 N 4.45 0.00 0.00 8.23 0.00 -1.24 -1.61 117.12 126.95 1in1 n MET 885 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 1in1 n MET 885 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 33.22 33.31 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 -1.10 0.00 0.57 3.17 -2.24 -1.26 1.38 114.28 114.81 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 68.21 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 -1.75 0.60 -3.66 3.42 7.64 -1.26 -4.93 113.62 113.68 1in1 n SER 887 Ca 0.00 -0.32 -0.11 0.00 1.01 0.00 0.00 58.87 59.45 1in1 n SER 887 Cb 0.00 0.98 0.08 0.00 -1.01 0.00 0.00 64.21 64.26 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 -1.82 1.47 0.00 -0.43 0.00 13.29 -4.99 120.51 128.03 1in1 n ALA 888 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1in1 n ALA 888 Cb 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.80 0.00 -4.38 0.00 5.66 -0.96 -4.69 114.28 106.11 1in1 n THR 889 Ca 0.03 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.84 1in1 n THR 889 Cb 0.22 -0.39 -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 -1.62 1.80 -0.14 1.09 3.76 35.33 -1.98 115.29 153.53 1in1 s HIS 890 Ca 0.00 -0.62 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 1in1 s HIS 890 Cb 0.00 -0.91 0.06 0.00 1.11 0.00 0.00 32.58 32.84 1in1 s HIS 890 CO 0.00 0.33 0.32 0.14 -0.85 0.00 0.00 174.74 174.68 1in1 s VAL 891 N -2.99 -0.24 -0.13 -0.90 -7.23 0.73 0.45 120.40 110.08 1in1 s VAL 891 Ca 0.25 0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 60.30 1in1 s VAL 891 Cb 0.01 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1in1 s VAL 891 CO 0.09 0.07 1.13 -0.22 -0.31 0.00 0.00 175.10 175.86 1in1 s LEU 892 N 1.85 4.21 0.04 1.32 0.20 0.77 -1.57 118.68 125.49 1in1 s LEU 892 Ca -0.05 1.62 0.00 0.00 0.69 0.00 0.00 54.13 56.39 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 -0.10 -0.61 0.00 0.61 -0.29 0.00 0.00 176.35 175.96 1in1 n GLY 893 N 3.34 -2.76 0.00 7.98 0.00 0.21 -4.55 105.19 109.41 1in1 n GLY 893 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.99 113.62 118.49 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 -1.34 0.00 0.00 1.43 1.85 -1.26 -4.42 116.66 112.92 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 -0.38 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 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 -0.86 0.00 -0.35 2.89 2.03 -1.26 0.72 116.55 119.72 1in1 n ASP 896 Ca 0.00 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.59 1in1 n ASP 896 Cb 0.00 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.68 -0.01 -3.17 -0.67 -0.00 -1.26 -3.16 118.16 109.21 1in1 n LYS 897 Ca 0.00 0.74 0.03 0.00 -0.00 0.00 0.00 58.31 59.08 1in1 n LYS 897 Cb 0.00 -1.55 -0.00 0.00 -0.00 0.00 0.00 35.03 33.47 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 -4.21 -1.60 0.10 -5.58 2.47 3.51 -4.27 114.94 105.37 1in1 s ASN 898 Ca -0.04 -0.07 0.21 0.00 0.42 0.00 0.00 52.86 53.38 1in1 s ASN 898 Cb 0.18 2.02 0.84 0.00 -1.45 0.00 0.00 41.25 42.84 1in1 s ASN 898 CO 0.53 -0.27 1.64 -0.81 -3.72 0.00 0.00 177.10 174.47 1in1 n PRO 899 N 5.16 0.09 0.00 0.43 -0.04 -1.05 -1.96 135.00 137.62 1in1 n PRO 899 Ca 0.07 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1in1 n PRO 899 Cb 0.55 -1.64 0.52 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.61 2.84 -1.57 0.55 0.00 -1.26 -4.85 120.51 114.61 1in1 n ALA 900 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1in1 n ALA 900 Cb 0.24 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.63 0.00 -3.22 0.00 0.00 -0.83 -4.73 120.51 111.11 1in1 n ALA 901 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 1in1 n ALA 901 Cb 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.60 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 1.96 1.92 -1.41 0.00 -1.52 -0.84 -4.76 119.66 115.02 1in1 s GLN 902 Ca 0.00 -0.55 -0.07 0.00 -1.95 0.00 0.00 55.36 52.79 1in1 s GLN 902 Cb 0.00 -1.58 0.06 0.00 -0.22 0.00 0.00 33.01 31.27 1in1 s GLN 902 CO 0.00 0.13 2.52 1.04 -0.25 0.00 0.00 175.29 178.73 1in1 n GLN 903 N 3.52 4.27 -2.00 2.91 6.02 -1.20 0.26 117.38 131.16 1in1 n GLN 903 Ca -0.21 -3.09 -0.28 0.00 -0.01 0.00 0.00 57.00 53.41 1in1 n GLN 903 Cb 0.52 -2.70 0.10 0.00 1.02 0.00 0.00 30.24 29.18 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 -0.07 2.07 0.00 5.09 -7.23 -0.61 -3.37 120.40 116.29 1in1 s VAL 904 Ca 0.58 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1in1 s VAL 904 Cb 0.18 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1in1 s VAL 904 CO -0.08 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.17 1in1 n SER 905 N -3.29 1.07 0.18 4.85 3.41 -1.26 0.63 113.62 119.21 1in1 n SER 905 Ca 0.10 -0.81 0.04 0.00 -0.26 0.00 0.00 58.87 57.94 1in1 n SER 905 Cb 0.61 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.96 -2.84 132.00 131.66 1in1 h PRO 906 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 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 -0.60 1.49 -0.23 0.00 0.00 178.00 179.09 1in1 h GLU 907 N 0.00 0.00 -0.16 0.86 4.57 -1.98 -3.14 114.58 114.73 1in1 h GLU 907 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1in1 h GLU 907 Cb 0.94 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1in1 h GLU 907 CO 0.05 0.60 -0.03 2.35 -1.18 0.00 0.00 179.01 180.80 1in1 h TRP 908 N 0.00 0.33 -0.14 0.92 7.01 -1.85 0.98 115.95 123.20 1in1 h TRP 908 Ca -0.01 -0.07 0.05 0.00 2.11 0.00 0.00 58.89 60.97 1in1 h TRP 908 Cb 1.17 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 28.09 1in1 h TRP 908 CO 0.00 0.56 -0.24 0.82 -2.79 0.00 0.00 178.44 176.79 1in1 h ILE 909 N 0.00 0.42 0.80 2.65 2.04 -1.54 1.53 117.51 123.40 1in1 h ILE 909 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1in1 h ILE 909 Cb 0.45 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1in1 h ILE 909 CO 0.01 0.00 -0.38 -0.50 0.00 0.00 0.00 178.15 177.28 1in1 h TRP 910 N -0.30 -1.00 -0.93 1.37 -0.00 -1.52 0.60 115.95 114.18 1in1 h TRP 910 Ca 0.11 -0.02 0.20 0.00 -0.00 0.00 0.00 58.89 59.17 1in1 h TRP 910 Cb 0.46 0.33 -0.07 0.00 -0.00 0.00 0.00 29.16 29.87 1in1 h TRP 910 CO -0.35 -0.61 0.60 0.00 -0.00 0.00 0.00 178.44 178.09 1in1 h ALA 911 N -1.12 2.13 -0.88 1.49 0.00 -0.59 0.85 119.26 121.14 1in1 h ALA 911 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1in1 h ALA 911 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1in1 h ALA 911 CO 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1in1 h ILE 913 N 0.00 0.26 -0.03 0.00 2.10 0.36 2.19 117.51 122.38 1in1 h ILE 913 Ca 0.00 -0.04 -0.17 0.00 1.08 0.00 0.00 64.86 65.73 1in1 h ILE 913 Cb 0.00 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 35.85 1in1 h ILE 913 CO 0.00 0.02 -0.73 -0.09 -1.08 0.00 0.00 178.15 176.27 1in1 h ARG 914 N 0.12 0.19 -0.05 2.19 1.12 0.66 -2.77 114.38 115.84 1in1 h ARG 914 Ca 0.73 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 59.44 1in1 h ARG 914 Cb 2.48 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 32.47 1in1 h ARG 914 CO -0.23 0.84 0.00 1.63 -3.11 0.00 0.00 179.97 179.10 1in1 n LYS 915 N -3.76 1.56 -0.96 0.20 4.76 0.71 -4.88 118.16 115.78 1in1 n LYS 915 Ca -0.03 -0.82 -0.06 0.00 -2.87 0.00 0.00 58.31 54.54 1in1 n LYS 915 Cb 0.70 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 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 0.00 -1.72 -3.65 1.97 5.12 0.65 -4.84 116.66 114.18 1in1 n ARG 916 Ca 0.19 0.53 -0.05 0.00 -1.93 0.00 0.00 57.85 56.58 1in1 n ARG 916 Cb 0.30 -4.53 -0.07 0.00 -1.16 0.00 0.00 32.46 27.01 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 -2.06 0.57 -0.21 5.56 1.04 -1.19 -4.37 118.95 118.30 1in1 s ARG 917 Ca 0.00 1.24 -0.43 0.00 -1.04 0.00 0.00 55.73 55.50 1in1 s ARG 917 Cb 0.00 0.43 -0.20 0.00 -2.04 0.00 0.00 34.95 33.14 1in1 s ARG 917 CO 0.00 -0.18 1.31 1.28 -0.04 0.00 0.00 175.30 177.66 1in1 n LEU 918 N 4.88 0.57 0.00 -1.89 7.99 -1.14 -4.68 117.00 122.73 1in1 n LEU 918 Ca -0.16 1.17 0.00 0.00 -0.01 0.00 0.00 56.01 57.01 1in1 n LEU 918 Cb 0.54 -0.91 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1in1 n LEU 918 CO -0.01 -1.42 0.00 1.33 -1.51 0.00 0.00 177.39 175.77 1in1 n VAL 919 N 2.61 0.00 -2.26 4.08 0.24 -1.26 -5.02 118.33 116.72 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 0.03 -0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 31.44 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 3.20 0.07 2.33 0.00 -1.26 -4.97 121.76 119.12 1in1 s ALA 920 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1in1 s ALA 920 Cb 0.00 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 1in1 s ALA 920 CO 0.00 -2.09 1.27 -1.25 0.00 0.00 0.00 175.76 173.70 1in1 s PRO 921 N 4.69 4.38 0.00 0.00 0.04 -1.26 -4.90 135.00 137.96 1in1 s PRO 921 Ca 0.65 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1in1 s PRO 921 Cb -0.19 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1in1 s PRO 921 CO 0.29 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.98