#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 2.07 -0.07 1.61 2.88 -1.26 -4.12 113.62 114.73 1in1 n SER 836 Ca 0.00 0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1in1 n SER 836 Cb 0.00 -0.85 -0.09 0.00 -0.75 0.00 0.00 64.21 62.52 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 -0.05 -0.76 0.00 -1.46 0.00 -1.98 1.79 119.26 116.80 1in1 h ALA 837 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1in1 h ALA 837 Cb 1.90 1.01 0.00 0.00 0.00 0.00 0.00 17.79 20.70 1in1 h ALA 837 CO 0.02 -1.03 0.41 -0.44 0.00 0.00 0.00 179.25 178.21 1in1 h ASP 838 N -0.48 0.00 0.00 0.00 3.32 -1.92 2.45 116.42 119.79 1in1 h ASP 838 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1in1 h ASP 838 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1in1 h ASP 838 CO -0.50 0.00 -0.76 -0.62 -1.72 0.00 0.00 179.24 175.63 1in1 n GLU 839 N -2.77 1.73 0.03 3.56 1.02 0.35 -4.03 120.64 120.53 1in1 n GLU 839 Ca -0.02 -0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1in1 n GLU 839 Cb 0.45 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.38 0.74 0.91 2.62 -1.04 0.53 -4.69 114.28 111.96 1in1 n THR 840 Ca 0.03 0.24 0.08 0.00 -2.04 0.00 0.00 64.05 62.36 1in1 n THR 840 Cb 0.25 -1.37 0.45 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.11 0.00 0.09 -4.42 -0.00 0.70 -2.84 117.00 107.43 1in1 n LEU 841 Ca -0.00 0.11 0.06 0.00 -0.00 0.00 0.00 56.01 56.18 1in1 n LEU 841 Cb 0.01 -0.11 0.32 0.00 -0.00 0.00 0.00 43.42 43.63 1in1 n LEU 841 CO 0.00 -0.06 0.68 0.00 -0.00 0.00 0.00 177.39 178.02 1in1 n GLN 843 N -1.91 4.75 0.00 0.00 1.13 -1.13 -4.89 117.38 115.34 1in1 n GLN 843 Ca -0.01 -4.24 0.00 0.00 -1.94 0.00 0.00 57.00 50.81 1in1 n GLN 843 Cb 0.03 -2.58 0.00 0.00 0.11 0.00 0.00 30.24 27.80 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 1.17 0.00 -1.18 5.09 5.66 -1.18 -0.14 114.28 123.70 1in1 n THR 844 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1in1 n THR 844 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.00 0.00 1.09 4.76 -1.26 -5.01 118.16 117.74 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 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 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 -1.62 -0.18 0.24 0.80 -4.82 118.33 112.75 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 0.13 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -4.70 -4.26 1.34 7.99 -1.26 -5.10 117.00 111.01 1in1 n LEU 847 Ca 0.00 1.96 -0.19 0.00 -0.01 0.00 0.00 56.01 57.78 1in1 n LEU 847 Cb 0.00 -2.38 -0.08 0.00 -0.11 0.00 0.00 43.42 40.85 1in1 n LEU 847 CO 0.00 -1.38 -0.11 -0.76 -1.51 0.00 0.00 177.39 173.64 1in1 s LEU 848 N -0.34 1.66 0.00 2.23 1.43 -1.26 -5.01 118.68 117.38 1in1 s LEU 848 Ca 0.00 -1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 51.37 1in1 s LEU 848 Cb 0.00 0.60 -0.07 0.00 0.03 0.00 0.00 46.19 46.75 1in1 s LEU 848 CO 0.00 -1.06 2.00 -0.90 0.23 0.00 0.00 176.35 176.63 1in1 n ASP 849 N -1.43 4.18 0.00 2.29 5.68 -1.24 -4.51 116.55 121.52 1in1 n ASP 849 Ca 0.07 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1in1 n ASP 849 Cb 0.63 -0.96 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 1.92 0.00 0.06 2.12 2.08 -1.22 -1.68 119.36 122.64 1in1 n ILE 850 Ca 0.10 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1in1 n ILE 850 Cb 0.50 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 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 -1.02 1.39 3.72 -1.26 0.88 117.46 121.17 1in1 n PHE 851 Ca 0.00 -0.02 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 1in1 n PHE 851 Cb 0.00 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.87 0.00 -2.27 4.37 5.66 -1.25 0.55 114.28 122.21 1in1 n THR 852 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1in1 n THR 852 Cb 0.02 -0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 68.42 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 5.04 -0.14 3.36 1.09 0.00 -1.24 -4.88 105.19 108.43 1in1 n GLY 853 Ca 0.45 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.96 5.17 -0.82 1.61 1.01 2.20 -4.90 120.40 121.70 1in1 s VAL 854 Ca 0.00 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 1in1 s VAL 854 Cb 0.00 -4.25 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1in1 s VAL 854 CO 0.00 -0.75 1.03 0.00 0.00 0.00 0.00 175.10 175.38 1in1 s ARG 855 N 1.76 3.42 -0.07 2.72 1.70 -1.26 -3.70 118.95 123.52 1in1 s ARG 855 Ca 0.05 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 53.79 1in1 s ARG 855 Cb -0.26 -4.66 -0.03 0.00 -0.57 0.00 0.00 34.95 29.43 1in1 s ARG 855 CO 0.05 -1.74 -0.05 -0.48 -1.08 0.00 0.00 175.30 172.00 1in1 s LEU 856 N 2.91 3.26 -0.73 -1.89 0.05 -1.12 2.30 118.68 123.45 1in1 s LEU 856 Ca 0.27 0.01 -0.26 0.00 0.05 0.00 0.00 54.13 54.19 1in1 s LEU 856 Cb -0.10 -1.73 0.02 0.00 -2.05 0.00 0.00 46.19 42.33 1in1 s LEU 856 CO -0.03 0.36 1.47 -0.47 -0.55 0.00 0.00 176.35 177.13 1in1 s TYR 857 N -0.84 2.12 -0.40 3.48 5.04 1.03 -4.11 117.35 123.67 1in1 s TYR 857 Ca 0.13 0.13 -0.29 0.00 -2.44 0.00 0.00 57.07 54.60 1in1 s TYR 857 Cb -0.11 -4.47 0.02 0.00 0.35 0.00 0.00 41.96 37.75 1in1 s TYR 857 CO 0.02 -2.12 1.13 -1.17 -1.34 0.00 0.00 175.55 172.07 1in1 s LEU 858 N 6.71 3.76 0.41 6.97 2.96 -1.26 0.21 118.68 138.43 1in1 s LEU 858 Ca 0.45 0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 54.87 1in1 s LEU 858 Cb -0.09 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 1in1 s LEU 858 CO 0.14 -1.10 1.12 -2.16 -1.32 0.00 0.00 176.35 173.02 1in1 s PRO 859 N 4.14 4.07 0.53 0.98 0.04 -1.26 -4.91 135.00 138.58 1in1 s PRO 859 Ca 0.48 1.70 0.31 0.00 0.04 0.00 0.00 61.00 63.53 1in1 s PRO 859 Cb -0.10 -2.60 1.15 0.00 0.04 0.00 0.00 34.50 32.99 1in1 s PRO 859 CO 0.25 -0.27 1.90 -1.00 0.04 0.00 0.00 177.00 177.92 1in1 h PRO 860 N 2.52 0.00 0.00 0.56 0.13 -1.98 -2.41 132.00 130.82 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 0.62 0.00 -0.14 0.43 -0.23 0.00 0.00 178.00 178.68 1in1 n SER 861 N -3.10 0.72 -4.77 1.44 7.64 -1.26 -4.85 113.62 109.44 1in1 n SER 861 Ca 0.01 0.46 -0.39 0.00 1.01 0.00 0.00 58.87 59.96 1in1 n SER 861 Cb 0.35 -0.55 -0.01 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 -3.10 2.68 0.32 0.44 2.01 -0.91 -4.98 115.64 112.10 1in1 s THR 862 Ca 0.10 0.60 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 1in1 s THR 862 Cb 0.13 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1in1 s THR 862 CO 0.62 0.08 1.15 -2.16 -0.69 0.00 0.00 174.62 173.61 1in1 s PRO 863 N -2.28 4.47 -0.81 4.92 0.04 -1.26 -2.73 135.00 137.34 1in1 s PRO 863 Ca 0.58 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1in1 s PRO 863 Cb -0.37 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1in1 s PRO 863 CO 0.47 0.03 0.00 -0.25 0.04 0.00 0.00 177.00 177.29 1in1 n ASP 864 N 0.86 -4.36 -0.08 6.66 9.92 -1.26 -4.87 116.55 123.41 1in1 n ASP 864 Ca 0.00 0.19 -0.11 0.00 -0.53 0.00 0.00 54.79 54.34 1in1 n ASP 864 Cb 0.45 -2.53 -0.06 0.00 -0.64 0.00 0.00 41.12 38.34 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 -1.29 -0.49 1.24 3.57 -1.84 0.44 116.94 118.57 1in1 h PHE 865 Ca -0.16 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.48 1in1 h PHE 865 Cb 0.64 0.61 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 1in1 h PHE 865 CO 0.31 -0.46 -0.19 0.45 -2.23 0.00 0.00 178.31 176.18 1in1 n SER 866 N -5.42 -0.32 -0.04 0.41 2.88 -1.26 -0.09 113.62 109.77 1in1 n SER 866 Ca -0.02 0.85 -0.08 0.00 -1.33 0.00 0.00 58.87 58.29 1in1 n SER 866 Cb 0.36 -0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.03 -0.58 -1.46 -0.00 -1.62 -3.30 114.38 107.40 1in1 h ARG 867 Ca 0.17 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.75 1in1 h ARG 867 Cb 0.29 0.01 -0.10 0.00 0.00 0.00 0.00 29.97 30.16 1in1 h ARG 867 CO -0.48 0.47 -0.18 1.28 0.00 0.00 0.00 179.97 181.05 1in1 n LEU 868 N -4.72 -0.29 0.00 3.04 4.77 0.14 0.21 117.00 120.15 1in1 n LEU 868 Ca -0.05 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 1in1 n LEU 868 Cb 0.25 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1in1 n LEU 868 CO 0.18 -0.93 0.00 -1.14 -1.33 0.00 0.00 177.39 174.18 1in1 n ARG 869 N -4.89 0.00 -0.32 3.23 3.00 0.54 0.22 116.66 118.44 1in1 n ARG 869 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.93 1in1 n ARG 869 Cb 0.26 -0.51 0.05 0.00 0.00 0.00 0.00 32.46 32.26 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 -0.01 -0.17 -0.00 -0.14 3.00 -0.95 -0.71 116.66 117.68 1in1 n ARG 870 Ca 0.00 1.31 -0.03 0.00 -0.00 0.00 0.00 57.85 59.13 1in1 n ARG 870 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 32.46 30.50 1in1 n ARG 870 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1in1 h TYR 871 N 0.00 -0.28 0.00 -0.14 3.20 0.24 0.45 116.97 120.44 1in1 h TYR 871 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1in1 h TYR 871 Cb 0.53 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1in1 h TYR 871 CO -0.72 -0.10 0.00 0.34 -1.64 0.00 0.00 178.16 176.04 1in1 n PHE 872 N -3.06 0.00 -0.17 -3.82 -0.00 0.13 -0.46 117.46 110.08 1in1 n PHE 872 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.59 1in1 n PHE 872 Cb 0.07 0.00 0.27 0.00 -0.00 0.00 0.00 39.48 39.82 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 -0.14 0.17 -2.13 3.14 -0.96 0.31 118.33 118.73 1in1 n VAL 873 Ca 0.00 0.81 -0.14 0.00 -2.96 0.00 0.00 64.34 62.05 1in1 n VAL 873 Cb 0.00 -1.32 -0.07 0.00 -1.06 0.00 0.00 33.84 31.40 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 0.75 -0.52 -0.85 1.55 0.00 0.15 -2.28 119.26 118.05 1in1 h ALA 874 Ca 0.37 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.40 1in1 h ALA 874 Cb 1.09 0.36 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 1in1 h ALA 874 CO -0.25 -0.82 -0.09 1.19 0.00 0.00 0.00 179.25 179.27 1in1 n PHE 875 N -5.38 0.43 0.00 0.00 3.01 0.92 -4.62 117.46 111.82 1in1 n PHE 875 Ca -0.09 1.03 0.00 0.00 1.01 0.00 0.00 57.45 59.40 1in1 n PHE 875 Cb 0.28 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 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 -5.29 0.00 0.00 4.37 8.00 -0.88 -4.85 116.55 117.89 1in1 n ASP 876 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1in1 n ASP 876 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 2.42 3.32 0.44 0.00 -1.09 -3.65 105.19 106.62 1in1 n GLY 877 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.68 -0.26 -0.06 1.61 1.01 -1.24 -4.64 116.67 112.40 1in1 s ASP 878 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.03 1in1 s ASP 878 Cb 0.00 0.47 0.02 0.00 1.01 0.00 0.00 42.92 44.42 1in1 s ASP 878 CO 0.00 -0.82 -0.05 -0.76 0.21 0.00 0.00 175.17 173.75 1in1 s LEU 879 N -2.62 1.19 0.57 1.23 1.43 -1.26 -2.79 118.68 116.43 1in1 s LEU 879 Ca 0.01 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1in1 s LEU 879 Cb 0.01 -0.56 0.07 0.00 0.03 0.00 0.00 46.19 45.74 1in1 s LEU 879 CO -0.10 -0.08 0.67 -0.69 0.23 0.00 0.00 176.35 176.38 1in1 s VAL 880 N 1.23 1.97 -0.15 -1.59 1.01 -1.26 -4.99 120.40 116.62 1in1 s VAL 880 Ca -0.06 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 1in1 s VAL 880 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1in1 s VAL 880 CO -0.02 0.00 0.03 -1.10 0.00 0.00 0.00 175.10 174.02 1in1 s GLN 881 N -4.54 3.65 0.01 2.72 -0.21 0.33 -4.29 119.66 117.34 1in1 s GLN 881 Ca 0.53 -0.38 -0.03 0.00 0.02 0.00 0.00 55.36 55.50 1in1 s GLN 881 Cb -0.05 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.90 1in1 s GLN 881 CO 0.33 0.40 0.37 -1.91 -2.12 0.00 0.00 175.29 172.37 1in1 n GLU 882 N 3.09 -0.04 0.00 2.91 2.13 -1.26 0.92 120.64 128.40 1in1 n GLU 882 Ca -0.17 0.37 0.02 0.00 0.66 0.00 0.00 57.16 58.03 1in1 n GLU 882 Cb 0.53 -0.55 0.10 0.00 0.27 0.00 0.00 31.44 31.78 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 -2.92 0.00 -3.50 4.31 -1.74 -1.26 -3.94 117.46 108.42 1in1 n PHE 883 Ca 0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.61 1in1 n PHE 883 Cb 0.02 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.91 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 -1.60 2.66 0.00 5.98 1.01 5.70 -4.88 116.67 125.54 1in1 s ASP 884 Ca 0.05 -2.60 0.00 0.00 0.71 0.00 0.00 52.55 50.71 1in1 s ASP 884 Cb 0.02 -0.56 0.00 0.00 1.01 0.00 0.00 42.92 43.40 1in1 s ASP 884 CO 0.04 -0.25 0.00 1.15 0.21 0.00 0.00 175.17 176.32 1in1 n MET 885 N 3.50 0.00 0.00 8.23 0.00 -1.20 -0.51 117.12 127.14 1in1 n MET 885 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.87 1in1 n MET 885 Cb 0.40 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 33.13 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 0.46 3.17 -2.24 -1.26 1.29 114.28 114.60 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 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.10 0.53 -3.80 3.42 7.64 -1.26 -4.94 113.62 113.12 1in1 n SER 887 Ca 0.00 -0.26 -0.17 0.00 1.01 0.00 0.00 58.87 59.45 1in1 n SER 887 Cb 0.00 1.14 0.07 0.00 -1.01 0.00 0.00 64.21 64.41 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 -1.91 -0.03 0.00 -0.43 0.00 11.46 -4.98 120.51 124.62 1in1 n ALA 888 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1in1 n ALA 888 Cb 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.70 0.00 -4.39 0.00 5.66 -0.70 -4.68 114.28 106.47 1in1 n THR 889 Ca 0.02 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.82 1in1 n THR 889 Cb 0.33 -0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 68.34 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 -1.90 1.79 -0.15 1.09 3.76 43.01 0.16 115.29 163.04 1in1 s HIS 890 Ca 0.00 -0.94 -0.08 0.00 -0.15 0.00 0.00 55.06 53.88 1in1 s HIS 890 Cb 0.00 -1.10 0.05 0.00 1.11 0.00 0.00 32.58 32.64 1in1 s HIS 890 CO 0.00 -0.02 0.36 0.14 -0.85 0.00 0.00 174.74 174.37 1in1 s VAL 891 N -3.36 -0.03 0.10 -0.90 -7.23 0.59 0.34 120.40 109.91 1in1 s VAL 891 Ca 0.33 0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 60.43 1in1 s VAL 891 Cb 0.07 -0.53 -0.07 0.00 0.56 0.00 0.00 36.38 36.41 1in1 s VAL 891 CO 0.13 0.04 0.56 -0.22 -0.31 0.00 0.00 175.10 175.30 1in1 s LEU 892 N 1.28 4.46 0.00 1.32 0.20 0.56 -1.15 118.68 125.35 1in1 s LEU 892 Ca -0.09 1.19 0.00 0.00 0.69 0.00 0.00 54.13 55.92 1in1 s LEU 892 Cb -0.09 -3.02 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1in1 s LEU 892 CO -0.11 0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.78 1in1 n GLY 893 N 1.38 2.13 0.00 7.98 0.00 -0.86 -4.51 105.19 111.31 1in1 n GLY 893 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 4.17 0.79 0.00 1.61 7.64 -1.26 -4.91 113.62 121.66 1in1 n SER 894 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 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 0.00 0.00 0.00 1.43 -4.01 -1.26 -4.57 116.66 108.25 1in1 n ARG 895 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1in1 n ARG 895 Cb 0.00 -0.45 0.00 0.00 -3.04 0.00 0.00 32.46 28.97 1in1 n ARG 895 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1in1 n ASP 896 N -0.69 0.00 -0.23 2.89 2.03 -1.26 0.63 116.55 119.92 1in1 n ASP 896 Ca 0.00 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.50 1in1 n ASP 896 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.47 -0.01 -3.23 -0.67 -0.00 -1.26 -2.85 118.16 109.67 1in1 n LYS 897 Ca 0.00 0.55 -0.02 0.00 -0.00 0.00 0.00 58.31 58.83 1in1 n LYS 897 Cb 0.00 -1.11 -0.03 0.00 -0.00 0.00 0.00 35.03 33.89 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 -4.36 -0.74 0.17 -5.58 2.47 2.78 -4.56 114.94 105.13 1in1 s ASN 898 Ca -0.03 -0.29 0.22 0.00 0.42 0.00 0.00 52.86 53.18 1in1 s ASN 898 Cb 0.14 1.61 0.89 0.00 -1.45 0.00 0.00 41.25 42.43 1in1 s ASN 898 CO 0.37 -0.29 1.68 -0.81 -3.72 0.00 0.00 177.10 174.33 1in1 n PRO 899 N 5.15 0.14 0.00 0.43 -0.04 -1.04 -2.02 135.00 137.63 1in1 n PRO 899 Ca 0.05 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 1in1 n PRO 899 Cb 0.52 -1.74 0.60 0.00 -0.04 0.00 0.00 33.50 32.84 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 2.76 -2.89 0.55 0.00 -1.26 -4.82 120.51 113.16 1in1 n ALA 900 Ca 0.03 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1in1 n ALA 900 Cb 0.26 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 1in1 n ALA 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1in1 s ALA 901 N -2.54 3.93 0.11 0.00 0.00 -0.86 -4.77 121.76 117.62 1in1 s ALA 901 Ca 0.27 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 1in1 s ALA 901 Cb 0.20 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 1in1 s ALA 901 CO 0.49 0.75 1.58 -1.14 0.00 0.00 0.00 175.76 177.44 1in1 s GLN 902 N -1.95 4.22 -0.96 0.00 -0.44 0.42 -4.50 119.66 116.43 1in1 s GLN 902 Ca 0.27 2.31 -0.20 0.00 -2.50 0.00 0.00 55.36 55.24 1in1 s GLN 902 Cb -0.13 -3.39 0.11 0.00 -1.64 0.00 0.00 33.01 27.97 1in1 s GLN 902 CO 0.19 -0.65 1.23 -1.14 0.50 0.00 0.00 175.29 175.42 1in1 s GLN 903 N 1.88 3.61 0.51 1.67 0.74 -1.26 0.22 119.66 127.04 1in1 s GLN 903 Ca 0.71 -1.60 0.08 0.00 0.05 0.00 0.00 55.36 54.60 1in1 s GLN 903 Cb -0.41 -5.05 0.04 0.00 1.10 0.00 0.00 33.01 28.70 1in1 s GLN 903 CO 0.31 -1.90 0.56 0.14 -0.55 0.00 0.00 175.29 173.86 1in1 s VAL 904 N 3.31 2.21 0.04 1.34 -7.23 -0.30 -2.59 120.40 117.19 1in1 s VAL 904 Ca 0.37 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1in1 s VAL 904 Cb -0.03 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1in1 s VAL 904 CO -0.09 0.00 0.01 -1.54 -0.31 0.00 0.00 175.10 173.17 1in1 n SER 905 N -1.91 1.22 0.09 4.85 3.41 -1.26 -2.03 113.62 118.00 1in1 n SER 905 Ca 0.07 -1.22 -0.05 0.00 -0.26 0.00 0.00 58.87 57.41 1in1 n SER 905 Cb 0.62 0.09 0.11 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.21 0.00 4.33 0.13 -1.97 -2.80 132.00 131.89 1in1 h PRO 906 Ca -0.03 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1in1 h PRO 906 Cb 0.12 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 1in1 h PRO 906 CO 0.05 0.77 -0.09 0.93 -0.23 0.00 0.00 178.00 179.43 1in1 h GLU 907 N 0.15 0.00 0.54 0.86 3.07 -1.99 -3.24 114.58 113.98 1in1 h GLU 907 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1in1 h GLU 907 Cb 1.14 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1in1 h GLU 907 CO 0.10 0.09 -0.26 2.35 -1.40 0.00 0.00 179.01 179.89 1in1 h TRP 908 N 0.00 -0.68 -0.98 4.33 7.01 -1.84 -1.80 115.95 121.99 1in1 h TRP 908 Ca -0.00 -0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.18 1in1 h TRP 908 Cb 0.69 0.22 -0.19 0.00 -2.10 0.00 0.00 29.16 27.78 1in1 h TRP 908 CO 0.00 -0.38 -0.25 -0.89 -2.79 0.00 0.00 178.44 174.13 1in1 n ILE 909 N -5.27 -0.41 0.00 2.65 5.41 -1.22 0.15 119.36 120.66 1in1 n ILE 909 Ca -0.10 2.25 0.00 0.00 1.00 0.00 0.00 62.75 65.90 1in1 n ILE 909 Cb 0.31 -3.11 0.00 0.00 -0.71 0.00 0.00 39.64 36.13 1in1 n ILE 909 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1in1 n TRP 910 N -5.60 0.00 -0.60 1.39 5.03 -1.21 -0.02 117.44 116.43 1in1 n TRP 910 Ca 0.16 0.00 0.47 0.00 3.03 0.00 0.00 57.50 61.16 1in1 n TRP 910 Cb 0.49 -0.35 0.78 0.00 -1.03 0.00 0.00 31.31 31.19 1in1 n TRP 910 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1in1 h ALA 911 N -2.00 3.50 -3.00 6.99 0.00 -0.59 0.80 119.26 124.96 1in1 h ALA 911 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1in1 h ALA 911 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1in1 h ALA 911 CO 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 179.25 177.19 1in1 h ILE 913 N 0.00 0.09 -0.01 0.00 2.10 0.11 3.85 117.51 123.64 1in1 h ILE 913 Ca 0.00 -0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.78 1in1 h ILE 913 Cb 0.00 0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 35.79 1in1 h ILE 913 CO 0.00 0.00 -0.72 -0.09 -1.08 0.00 0.00 178.15 176.26 1in1 h ARG 914 N 0.01 0.08 -0.00 2.19 1.12 0.52 -2.88 114.38 115.41 1in1 h ARG 914 Ca 0.86 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.66 1in1 h ARG 914 Cb 3.35 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 33.33 1in1 h ARG 914 CO -0.08 0.77 -0.36 1.63 -3.11 0.00 0.00 179.97 178.82 1in1 n LYS 915 N -3.72 0.50 -0.72 0.20 4.76 1.24 -4.91 118.16 115.52 1in1 n LYS 915 Ca -0.02 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1in1 n LYS 915 Cb 0.70 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.99 -0.39 -3.64 1.97 3.00 0.78 -4.88 116.66 112.51 1in1 n ARG 916 Ca 0.09 0.10 -0.12 0.00 -0.01 0.00 0.00 57.85 57.91 1in1 n ARG 916 Cb 0.34 -4.15 -0.12 0.00 0.00 0.00 0.00 32.46 28.53 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 -0.95 0.19 -0.16 5.56 3.03 -0.67 -3.39 118.95 122.56 1in1 s ARG 917 Ca 0.00 0.78 -0.29 0.00 2.03 0.00 0.00 55.73 58.24 1in1 s ARG 917 Cb 0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 34.95 33.76 1in1 s ARG 917 CO 0.00 -0.31 0.90 1.28 -1.13 0.00 0.00 175.30 176.04 1in1 n LEU 918 N 5.36 0.39 0.00 -1.89 7.99 0.26 -4.75 117.00 124.35 1in1 n LEU 918 Ca -0.06 0.80 0.00 0.00 -0.01 0.00 0.00 56.01 56.73 1in1 n LEU 918 Cb 0.50 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1in1 n LEU 918 CO 0.02 -0.95 0.00 1.33 -1.51 0.00 0.00 177.39 176.28 1in1 n VAL 919 N 1.82 0.00 -2.01 4.08 0.24 -1.26 -5.01 118.33 116.19 1in1 n VAL 919 Ca 0.17 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.04 1in1 n VAL 919 Cb 0.01 -0.97 -0.03 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 -2.00 3.01 0.09 2.33 0.00 -1.26 -4.95 121.76 118.98 1in1 s ALA 920 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1in1 s ALA 920 Cb 0.00 -3.96 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 1in1 s ALA 920 CO 0.00 -2.39 1.26 -1.25 0.00 0.00 0.00 175.76 173.38 1in1 s PRO 921 N 5.33 4.40 0.00 0.00 0.04 -1.26 -4.90 135.00 138.62 1in1 s PRO 921 Ca 0.78 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1in1 s PRO 921 Cb -0.24 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1in1 s PRO 921 CO 0.33 -0.30 0.00 0.00 0.04 0.00 0.00 177.00 177.07