#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 0.00 1.61 3.41 -1.26 -4.27 113.62 113.11 1in1 n SER 836 Ca 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1in1 n SER 836 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.77 0.00 -0.35 7.33 0.00 -1.26 0.35 120.51 125.81 1in1 n ALA 837 Ca 0.11 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.79 1in1 n ALA 837 Cb 0.05 0.41 0.49 0.00 0.00 0.00 0.00 19.45 20.40 1in1 n ALA 837 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1in1 h ASP 838 N 0.00 0.49 1.10 0.00 1.82 -1.97 2.02 116.42 119.87 1in1 h ASP 838 Ca 0.00 0.16 -0.13 0.00 -0.39 0.00 0.00 57.03 56.67 1in1 h ASP 838 Cb 0.00 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1in1 h ASP 838 CO 0.00 -0.08 -0.63 -0.33 -1.61 0.00 0.00 179.24 176.59 1in1 h GLU 839 N 0.33 0.00 0.00 0.28 4.39 0.18 -2.94 114.58 116.83 1in1 h GLU 839 Ca 0.72 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.42 1in1 h GLU 839 Cb 1.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1in1 h GLU 839 CO -0.52 0.63 -0.00 1.15 -1.16 0.00 0.00 179.01 179.11 1in1 h THR 840 N 0.00 1.65 0.00 1.13 2.02 1.89 -3.19 112.91 116.41 1in1 h THR 840 Ca -0.01 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1in1 h THR 840 Cb 1.35 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.85 1in1 h THR 840 CO 0.08 0.55 0.00 0.18 0.37 0.00 0.00 175.52 176.70 1in1 n LEU 841 N -4.64 0.00 0.00 2.58 7.99 0.40 -2.94 117.00 120.39 1in1 n LEU 841 Ca -0.09 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 1in1 n LEU 841 Cb 0.44 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1in1 n LEU 841 CO 0.32 -0.10 0.45 0.00 -1.51 0.00 0.00 177.39 176.54 1in1 n GLN 843 N -1.26 2.76 0.00 0.00 1.13 -1.15 -4.96 117.38 113.90 1in1 n GLN 843 Ca 0.00 -4.63 0.00 0.00 -1.94 0.00 0.00 57.00 50.43 1in1 n GLN 843 Cb 0.14 -2.31 0.00 0.00 0.11 0.00 0.00 30.24 28.18 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 1.13 0.00 -1.72 5.09 5.66 -1.05 -0.41 114.28 122.98 1in1 n THR 844 Ca 0.28 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.28 1in1 n THR 844 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 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 -1.50 1.09 3.00 -1.25 -4.96 118.16 114.53 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 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 34.89 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 -0.03 -2.93 3.15 0.24 0.45 -4.79 118.33 114.41 1in1 n VAL 846 Ca 0.00 0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 1in1 n VAL 846 Cb 0.25 -0.41 0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.29 -1.36 0.00 1.34 7.99 -1.26 -4.97 117.00 120.03 1in1 n LEU 847 Ca 0.00 -4.05 -0.13 0.00 -0.01 0.00 0.00 56.01 51.82 1in1 n LEU 847 Cb 0.00 0.80 0.11 0.00 -0.11 0.00 0.00 43.42 44.21 1in1 n LEU 847 CO 0.00 2.09 0.28 0.18 -1.51 0.00 0.00 177.39 178.43 1in1 n LEU 848 N 1.01 0.00 -3.26 2.23 4.77 -1.26 -4.72 117.00 115.77 1in1 n LEU 848 Ca 0.14 -0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 55.23 1in1 n LEU 848 Cb 0.63 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1in1 n LEU 848 CO 0.10 -1.43 1.91 0.47 -1.33 0.00 0.00 177.39 177.11 1in1 n ASP 849 N -3.75 7.51 0.00 -1.43 9.92 -1.25 -4.70 116.55 122.86 1in1 n ASP 849 Ca 0.07 -3.36 0.00 0.00 -0.53 0.00 0.00 54.79 50.96 1in1 n ASP 849 Cb 0.25 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 1in1 n ASP 849 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1in1 n ILE 850 N 0.87 0.00 0.00 0.53 -0.00 -1.18 -2.57 119.36 117.01 1in1 n ILE 850 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.30 1in1 n ILE 850 Cb 0.31 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.89 1in1 n ILE 850 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1in1 n PHE 851 N 0.00 0.00 -1.13 4.28 3.72 -1.26 -1.26 117.46 121.82 1in1 n PHE 851 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 1in1 n PHE 851 Cb 0.00 0.00 -0.11 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 0.00 0.00 -0.94 4.37 5.66 -1.26 0.70 114.28 122.82 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 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 6.09 0.63 3.53 1.09 0.00 -1.26 -4.86 105.19 110.41 1in1 n GLY 853 Ca 0.50 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.73 4.47 -1.00 1.61 1.01 3.32 -4.88 120.40 122.21 1in1 s VAL 854 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1in1 s VAL 854 Cb 0.00 -4.47 0.22 0.00 0.00 0.00 0.00 36.38 32.13 1in1 s VAL 854 CO 0.00 -0.99 1.04 0.00 0.00 0.00 0.00 175.10 175.15 1in1 s ARG 855 N 3.73 3.89 -0.12 2.72 1.70 -1.26 -3.45 118.95 126.17 1in1 s ARG 855 Ca 0.30 -2.66 -0.07 0.00 -0.47 0.00 0.00 55.73 52.84 1in1 s ARG 855 Cb -0.12 -4.64 -0.04 0.00 -0.57 0.00 0.00 34.95 29.58 1in1 s ARG 855 CO 0.20 -1.41 0.14 -0.48 -1.08 0.00 0.00 175.30 172.68 1in1 s LEU 856 N 0.21 4.39 -0.70 -1.89 0.05 -1.15 2.12 118.68 121.71 1in1 s LEU 856 Ca 0.28 0.47 -0.27 0.00 0.05 0.00 0.00 54.13 54.66 1in1 s LEU 856 Cb -0.08 -2.09 0.03 0.00 -2.05 0.00 0.00 46.19 42.00 1in1 s LEU 856 CO -0.07 0.41 1.26 -0.47 -0.55 0.00 0.00 176.35 176.92 1in1 s TYR 857 N -1.04 2.37 -0.42 3.48 5.04 0.71 -4.24 117.35 123.25 1in1 s TYR 857 Ca 0.15 0.07 -0.28 0.00 -2.44 0.00 0.00 57.07 54.58 1in1 s TYR 857 Cb -0.12 -4.60 0.02 0.00 0.35 0.00 0.00 41.96 37.61 1in1 s TYR 857 CO 0.04 -1.95 1.04 -1.17 -1.34 0.00 0.00 175.55 172.18 1in1 s LEU 858 N 5.52 3.84 0.45 6.97 2.96 -1.26 0.21 118.68 137.36 1in1 s LEU 858 Ca 0.37 0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 54.57 1in1 s LEU 858 Cb -0.08 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.12 1in1 s LEU 858 CO 0.18 -1.07 1.10 -2.16 -1.32 0.00 0.00 176.35 173.09 1in1 s PRO 859 N 3.97 3.88 0.50 0.98 0.04 -1.26 -4.90 135.00 138.21 1in1 s PRO 859 Ca 0.43 1.62 0.29 0.00 0.04 0.00 0.00 61.00 63.38 1in1 s PRO 859 Cb -0.10 -2.39 1.06 0.00 0.04 0.00 0.00 34.50 33.12 1in1 s PRO 859 CO 0.25 -0.41 1.87 -1.00 0.04 0.00 0.00 177.00 177.75 1in1 h PRO 860 N 2.09 0.00 0.00 0.56 0.13 -1.98 -2.48 132.00 130.32 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 0.07 -0.16 0.77 -0.23 0.00 0.00 178.00 179.05 1in1 h SER 861 N 0.00 0.00 -3.99 1.44 0.02 -2.01 -3.46 113.55 105.55 1in1 h SER 861 Ca -0.00 -0.03 -0.54 0.00 -0.84 0.00 0.00 61.79 60.38 1in1 h SER 861 Cb 0.67 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.32 1in1 h SER 861 CO 0.01 0.02 0.67 -0.89 -1.14 0.00 0.00 176.83 175.50 1in1 s THR 862 N -3.16 2.20 0.30 -2.27 2.01 -0.94 -4.96 115.64 108.83 1in1 s THR 862 Ca 0.08 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1in1 s THR 862 Cb 0.10 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 1in1 s THR 862 CO 0.65 0.02 1.15 -2.16 -0.69 0.00 0.00 174.62 173.59 1in1 s PRO 863 N -2.45 4.52 -1.11 4.92 0.04 -1.26 -2.80 135.00 136.85 1in1 s PRO 863 Ca 0.61 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1in1 s PRO 863 Cb -0.42 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1in1 s PRO 863 CO 0.54 0.07 0.00 -0.25 0.04 0.00 0.00 177.00 177.40 1in1 n ASP 864 N 0.98 -4.22 -0.20 6.66 9.92 -1.26 -4.90 116.55 123.53 1in1 n ASP 864 Ca -0.00 0.24 0.01 0.00 -0.53 0.00 0.00 54.79 54.51 1in1 n ASP 864 Cb 0.44 -2.72 0.11 0.00 -0.64 0.00 0.00 41.12 38.31 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 0.15 0.00 1.24 3.57 -1.85 0.49 116.94 120.54 1in1 h PHE 865 Ca -0.22 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1in1 h PHE 865 Cb 0.73 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1in1 h PHE 865 CO 0.30 -0.07 0.00 0.45 -2.23 0.00 0.00 178.31 176.76 1in1 n SER 866 N -5.17 0.00 -0.10 0.41 2.88 -1.26 -0.33 113.62 110.05 1in1 n SER 866 Ca 0.09 0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 1in1 n SER 866 Cb 0.34 -0.01 -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 0.87 -0.67 -1.46 3.08 -1.96 -3.22 114.38 111.02 1in1 h ARG 867 Ca 0.00 -0.50 0.13 0.00 0.07 0.00 0.00 59.98 59.68 1in1 h ARG 867 Cb 0.00 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 29.97 1in1 h ARG 867 CO 0.00 1.14 -0.19 1.28 -1.07 0.00 0.00 179.97 181.14 1in1 n LEU 868 N -4.08 -0.28 0.00 3.04 4.77 0.49 0.24 117.00 121.18 1in1 n LEU 868 Ca -0.04 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1in1 n LEU 868 Cb 0.57 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1in1 n LEU 868 CO 0.49 -1.09 0.08 -1.14 -1.33 0.00 0.00 177.39 174.39 1in1 n ARG 869 N -5.07 0.00 -0.37 3.23 3.00 0.55 -1.58 116.66 116.42 1in1 n ARG 869 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.91 1in1 n ARG 869 Cb 0.32 -0.59 -0.01 0.00 0.00 0.00 0.00 32.46 32.19 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 -0.20 -0.28 -0.21 -0.14 0.63 -0.96 -0.60 116.66 114.90 1in1 n ARG 870 Ca 0.00 1.43 -0.07 0.00 -0.92 0.00 0.00 57.85 58.29 1in1 n ARG 870 Cb 0.00 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 1in1 n ARG 870 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1in1 h TYR 871 N 0.00 -1.07 0.00 -0.14 3.20 0.30 1.42 116.97 120.68 1in1 h TYR 871 Ca 0.27 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1in1 h TYR 871 Cb 0.50 0.53 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1in1 h TYR 871 CO -0.87 -0.23 0.00 0.34 -1.64 0.00 0.00 178.16 175.76 1in1 n PHE 872 N -4.29 0.00 -0.29 -3.82 -0.00 0.23 -0.47 117.46 108.83 1in1 n PHE 872 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.45 57.69 1in1 n PHE 872 Cb 0.16 0.00 0.40 0.00 -0.00 0.00 0.00 39.48 40.04 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 -0.13 0.08 -2.13 3.14 -1.07 0.29 118.33 118.51 1in1 n VAL 873 Ca 0.00 1.01 -0.12 0.00 -2.96 0.00 0.00 64.34 62.27 1in1 n VAL 873 Cb 0.00 -1.66 -0.05 0.00 -1.06 0.00 0.00 33.84 31.07 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 0.87 -0.19 -0.93 1.55 0.00 0.28 -2.08 119.26 118.76 1in1 h ALA 874 Ca 0.51 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.67 1in1 h ALA 874 Cb 1.69 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 19.53 1in1 h ALA 874 CO -0.23 -0.64 0.12 0.74 0.00 0.00 0.00 179.25 179.24 1in1 h PHE 875 N -0.25 0.13 0.00 0.00 -1.00 0.71 -3.43 116.94 113.10 1in1 h PHE 875 Ca 0.03 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1in1 h PHE 875 Cb 0.28 0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1in1 h PHE 875 CO -0.17 -0.35 0.00 -0.25 -1.61 0.00 0.00 178.31 175.93 1in1 n ASP 876 N -5.38 0.00 -0.24 2.17 8.00 -0.79 -4.85 116.55 115.45 1in1 n ASP 876 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1in1 n ASP 876 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.28 3.42 0.44 0.00 -1.19 -4.09 105.19 105.05 1in1 n GLY 877 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.49 -0.04 1.61 1.01 -1.22 -4.67 116.67 111.87 1in1 s ASP 878 Ca 0.00 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.18 1in1 s ASP 878 Cb 0.00 0.58 0.02 0.00 1.01 0.00 0.00 42.92 44.53 1in1 s ASP 878 CO 0.00 -0.96 -0.05 -0.76 0.21 0.00 0.00 175.17 173.61 1in1 s LEU 879 N -2.77 1.45 -0.01 1.23 1.02 -1.26 -2.91 118.68 115.43 1in1 s LEU 879 Ca 0.02 -0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.10 1in1 s LEU 879 Cb -0.01 -0.43 -0.03 0.00 0.02 0.00 0.00 46.19 45.74 1in1 s LEU 879 CO -0.12 -0.03 -0.18 -0.69 0.02 0.00 0.00 176.35 175.35 1in1 s VAL 880 N 0.72 2.75 0.19 -1.59 1.01 -1.26 -5.01 120.40 117.21 1in1 s VAL 880 Ca -0.10 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1in1 s VAL 880 Cb -0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1in1 s VAL 880 CO 0.00 0.50 1.36 -1.10 0.00 0.00 0.00 175.10 175.86 1in1 s GLN 881 N -0.95 4.35 0.00 2.72 -0.21 -0.63 -4.38 119.66 120.55 1in1 s GLN 881 Ca 0.12 2.12 0.00 0.00 0.02 0.00 0.00 55.36 57.62 1in1 s GLN 881 Cb -0.10 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.72 1in1 s GLN 881 CO 0.02 -0.33 0.35 -1.91 -2.12 0.00 0.00 175.29 171.29 1in1 n GLU 882 N 2.87 0.00 0.00 2.91 2.13 -1.26 0.84 120.64 128.13 1in1 n GLU 882 Ca 0.08 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1in1 n GLU 882 Cb 0.42 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.61 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 -2.33 0.00 -3.43 4.31 -1.74 -1.26 -3.77 117.46 109.24 1in1 n PHE 883 Ca 0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.62 1in1 n PHE 883 Cb 0.00 -0.01 -0.11 0.00 1.52 0.00 0.00 39.48 40.88 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 -1.52 2.34 0.00 5.98 1.01 4.72 -4.90 116.67 124.30 1in1 s ASP 884 Ca 0.00 -2.41 0.00 0.00 0.71 0.00 0.00 52.55 50.85 1in1 s ASP 884 Cb 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 42.92 43.60 1in1 s ASP 884 CO 0.00 -0.26 0.00 1.15 0.21 0.00 0.00 175.17 176.27 1in1 n MET 885 N 3.68 0.00 0.00 8.23 0.00 -1.22 -1.61 117.12 126.20 1in1 n MET 885 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1in1 n MET 885 Cb 0.41 -0.42 0.00 0.00 0.00 0.00 0.00 33.22 33.21 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 -0.94 0.00 0.70 3.17 -2.24 -1.26 1.33 114.28 115.04 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 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.19 0.66 -3.49 3.42 7.64 -1.26 -4.92 113.62 113.48 1in1 n SER 887 Ca 0.00 -0.47 -0.09 0.00 1.01 0.00 0.00 58.87 59.31 1in1 n SER 887 Cb 0.00 0.96 0.09 0.00 -1.01 0.00 0.00 64.21 64.25 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 -1.73 -1.64 0.00 -0.43 0.00 12.25 -4.99 120.51 123.98 1in1 n ALA 888 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1in1 n ALA 888 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.43 0.00 5.66 -0.91 -4.70 114.28 106.10 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 -0.29 -0.10 0.00 -1.55 0.00 0.00 70.33 68.58 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 -1.49 1.97 -0.15 1.09 3.76 35.30 -1.77 115.29 154.01 1in1 s HIS 890 Ca 0.00 -0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 54.14 1in1 s HIS 890 Cb 0.00 -1.11 0.05 0.00 1.11 0.00 0.00 32.58 32.63 1in1 s HIS 890 CO 0.00 0.32 0.39 0.14 -0.85 0.00 0.00 174.74 174.73 1in1 s VAL 891 N -2.97 -0.02 -0.22 -0.90 -7.23 0.94 0.26 120.40 110.26 1in1 s VAL 891 Ca 0.29 0.06 -0.17 0.00 -1.81 0.00 0.00 61.98 60.35 1in1 s VAL 891 Cb 0.03 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1in1 s VAL 891 CO 0.12 0.02 0.48 -0.22 -0.31 0.00 0.00 175.10 175.19 1in1 s LEU 892 N 0.91 4.12 0.00 1.32 0.20 0.56 -0.83 118.68 124.96 1in1 s LEU 892 Ca -0.06 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.33 1in1 s LEU 892 Cb -0.06 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 1in1 s LEU 892 CO -0.07 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.42 1in1 n GLY 893 N 4.08 2.08 0.00 7.98 0.00 -0.56 -4.46 105.19 114.32 1in1 n GLY 893 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 2.63 0.46 0.00 1.61 7.64 -1.26 -4.80 113.62 119.89 1in1 n SER 894 Ca 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.29 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 1.08 0.00 1.43 1.85 -1.26 -4.36 116.66 115.40 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 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 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 -1.86 0.00 -0.39 2.89 2.03 -1.26 0.80 116.55 118.76 1in1 n ASP 896 Ca 0.00 0.00 0.31 0.00 0.52 0.00 0.00 54.79 55.62 1in1 n ASP 896 Cb 0.32 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 41.21 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 -0.21 -0.01 -3.22 -0.67 -0.00 -1.26 -3.04 118.16 109.75 1in1 n LYS 897 Ca 0.00 0.74 -0.01 0.00 -0.00 0.00 0.00 58.31 59.04 1in1 n LYS 897 Cb 0.00 -1.59 -0.02 0.00 -0.00 0.00 0.00 35.03 33.41 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 -4.12 -0.90 0.00 -5.58 2.47 4.35 -4.46 114.94 106.70 1in1 s ASN 898 Ca -0.04 -0.25 0.18 0.00 0.42 0.00 0.00 52.86 53.18 1in1 s ASN 898 Cb 0.18 1.68 0.80 0.00 -1.45 0.00 0.00 41.25 42.47 1in1 s ASN 898 CO 0.55 -0.29 1.58 -0.81 -3.72 0.00 0.00 177.10 174.41 1in1 n PRO 899 N 5.15 0.05 0.00 0.43 -0.04 -1.05 -1.94 135.00 137.60 1in1 n PRO 899 Ca 0.05 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1in1 n PRO 899 Cb 0.53 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.46 2.57 -1.97 0.55 0.00 -1.26 -4.88 120.51 114.05 1in1 n ALA 900 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1in1 n ALA 900 Cb 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.25 0.00 -3.29 0.00 0.00 -0.82 -4.67 120.51 111.99 1in1 n ALA 901 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1in1 n ALA 901 Cb 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 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 2.94 2.13 -1.37 0.00 -1.52 -0.73 -4.79 119.66 116.32 1in1 s GLN 902 Ca 0.00 -0.59 -0.09 0.00 -1.95 0.00 0.00 55.36 52.73 1in1 s GLN 902 Cb 0.00 -1.71 0.09 0.00 -0.22 0.00 0.00 33.01 31.17 1in1 s GLN 902 CO 0.00 0.11 2.28 1.04 -0.25 0.00 0.00 175.29 178.47 1in1 n GLN 903 N 3.60 3.90 -2.08 2.91 3.00 -1.21 0.32 117.38 127.81 1in1 n GLN 903 Ca -0.21 -3.18 -0.28 0.00 -0.01 0.00 0.00 57.00 53.33 1in1 n GLN 903 Cb 0.52 -2.84 0.12 0.00 0.00 0.00 0.00 30.24 28.04 1in1 n GLN 903 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1in1 s VAL 904 N 0.46 2.09 0.00 5.09 -7.23 -0.01 -3.76 120.40 117.04 1in1 s VAL 904 Ca 0.51 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1in1 s VAL 904 Cb 0.15 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1in1 s VAL 904 CO -0.05 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.50 1in1 n SER 905 N -3.31 1.13 0.16 4.85 2.88 -1.26 -1.49 113.62 116.58 1in1 n SER 905 Ca 0.11 -0.99 0.02 0.00 -1.33 0.00 0.00 58.87 56.69 1in1 n SER 905 Cb 0.60 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.32 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 -0.06 -1.46 0.13 -1.99 -2.91 132.00 125.71 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 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1in1 h PRO 906 CO 0.00 0.49 -0.52 0.93 -0.23 0.00 0.00 178.00 178.67 1in1 h GLU 907 N 0.00 0.17 -0.20 0.86 3.07 -2.00 -2.89 114.58 113.58 1in1 h GLU 907 Ca -0.00 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 1in1 h GLU 907 Cb 1.00 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 1in1 h GLU 907 CO 0.06 0.65 -0.02 2.35 -1.40 0.00 0.00 179.01 180.66 1in1 h TRP 908 N 0.13 0.41 0.05 4.33 7.01 -1.85 -0.13 115.95 125.90 1in1 h TRP 908 Ca 0.00 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 60.95 1in1 h TRP 908 Cb 0.97 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.89 1in1 h TRP 908 CO 0.01 0.59 -0.27 0.82 -2.79 0.00 0.00 178.44 176.80 1in1 h ILE 909 N 0.12 0.40 0.61 2.65 2.04 -1.50 1.27 117.51 123.11 1in1 h ILE 909 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1in1 h ILE 909 Cb 0.43 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1in1 h ILE 909 CO 0.01 0.00 -0.38 -0.50 0.00 0.00 0.00 178.15 177.29 1in1 h TRP 910 N -0.44 -0.99 -0.54 1.37 -0.00 -1.49 0.36 115.95 114.21 1in1 h TRP 910 Ca 0.05 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.05 1in1 h TRP 910 Cb 0.50 0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 29.98 1in1 h TRP 910 CO -0.28 -0.57 0.38 0.00 -0.00 0.00 0.00 178.44 177.97 1in1 h ALA 911 N -0.62 2.22 -2.17 1.49 0.00 -0.79 0.41 119.26 119.80 1in1 h ALA 911 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1in1 h ALA 911 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1in1 h ALA 911 CO 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1in1 h ILE 913 N 0.00 0.18 0.00 0.00 2.10 -0.29 3.67 117.51 123.17 1in1 h ILE 913 Ca 0.00 -0.06 -0.03 0.00 1.08 0.00 0.00 64.86 65.84 1in1 h ILE 913 Cb 0.00 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 35.71 1in1 h ILE 913 CO 0.00 0.03 -0.16 -0.09 -1.08 0.00 0.00 178.15 176.86 1in1 h ARG 914 N 0.18 0.00 -0.02 2.19 2.43 -0.27 -1.76 114.38 117.13 1in1 h ARG 914 Ca 0.75 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.92 1in1 h ARG 914 Cb 1.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1in1 h ARG 914 CO -0.69 0.16 -0.33 1.63 -1.51 0.00 0.00 179.97 179.23 1in1 n LYS 915 N -3.47 1.49 -0.34 0.20 4.76 1.16 -4.92 118.16 117.03 1in1 n LYS 915 Ca -0.01 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.22 1in1 n LYS 915 Cb 0.32 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1in1 n LYS 915 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1in1 n ARG 916 N 0.30 0.00 -3.74 1.97 0.00 0.20 -4.83 116.66 110.55 1in1 n ARG 916 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.76 1in1 n ARG 916 Cb 0.49 -4.12 -0.18 0.00 0.00 0.00 0.00 32.46 28.65 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 -0.68 0.18 -0.26 -0.14 1.04 -1.06 -3.10 118.95 114.92 1in1 s ARG 917 Ca 0.00 0.25 -0.43 0.00 -1.04 0.00 0.00 55.73 54.51 1in1 s ARG 917 Cb 0.00 -0.63 -0.19 0.00 -2.04 0.00 0.00 34.95 32.09 1in1 s ARG 917 CO 0.00 -0.29 1.45 1.28 -0.04 0.00 0.00 175.30 177.70 1in1 n LEU 918 N 5.04 1.10 0.00 -1.89 7.99 -0.38 -4.67 117.00 124.19 1in1 n LEU 918 Ca -0.09 1.16 0.00 0.00 -0.01 0.00 0.00 56.01 57.07 1in1 n LEU 918 Cb 0.50 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1in1 n LEU 918 CO 0.10 -1.10 0.00 1.33 -1.51 0.00 0.00 177.39 176.22 1in1 n VAL 919 N 3.24 0.00 -2.09 4.08 0.24 -1.26 -5.00 118.33 117.54 1in1 n VAL 919 Ca 0.26 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.13 1in1 n VAL 919 Cb 0.04 -1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 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 -2.34 3.14 0.09 2.33 0.00 -1.26 -4.96 121.76 118.76 1in1 s ALA 920 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 1in1 s ALA 920 Cb 0.00 -3.90 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 1in1 s ALA 920 CO 0.00 -2.17 1.26 -1.25 0.00 0.00 0.00 175.76 173.60 1in1 s PRO 921 N 4.98 4.40 0.00 0.00 0.04 -1.26 -4.88 135.00 138.28 1in1 s PRO 921 Ca 0.74 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1in1 s PRO 921 Cb -0.24 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1in1 s PRO 921 CO 0.31 -0.30 0.04 0.00 0.04 0.00 0.00 177.00 177.08