#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 1.28 -0.21 1.61 3.41 -1.26 -4.66 113.62 113.79 1in1 n SER 836 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1in1 n SER 836 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.00 -0.53 -1.07 7.33 0.00 -1.99 1.18 119.26 124.18 1in1 h ALA 837 Ca 0.00 0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.28 1in1 h ALA 837 Cb 0.92 1.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.73 1in1 h ALA 837 CO 0.00 -0.79 0.64 -0.44 0.00 0.00 0.00 179.25 178.66 1in1 h ASP 838 N -0.14 0.47 1.27 0.00 3.32 -1.97 2.24 116.42 121.61 1in1 h ASP 838 Ca 0.09 0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1in1 h ASP 838 Cb 0.37 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1in1 h ASP 838 CO -0.58 -0.08 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.02 1in1 h GLU 839 N 0.32 0.00 0.04 3.56 4.39 0.23 -2.86 114.58 120.26 1in1 h GLU 839 Ca 0.72 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.34 1in1 h GLU 839 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1in1 h GLU 839 CO -0.51 0.51 -0.39 1.15 -1.16 0.00 0.00 179.01 178.61 1in1 h THR 840 N 0.00 1.61 0.00 1.13 2.02 1.12 -3.23 112.91 115.57 1in1 h THR 840 Ca -0.01 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1in1 h THR 840 Cb 1.28 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1in1 h THR 840 CO 0.07 0.62 0.00 0.18 0.37 0.00 0.00 175.52 176.75 1in1 n LEU 841 N -4.43 0.00 0.00 2.58 7.99 0.41 -3.11 117.00 120.43 1in1 n LEU 841 Ca -0.14 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1in1 n LEU 841 Cb 0.61 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1in1 n LEU 841 CO 0.37 -0.07 0.38 0.00 -1.51 0.00 0.00 177.39 176.56 1in1 n GLN 843 N -1.18 3.05 0.00 0.00 1.13 -1.18 -4.95 117.38 114.25 1in1 n GLN 843 Ca 0.00 -4.68 0.00 0.00 -1.94 0.00 0.00 57.00 50.38 1in1 n GLN 843 Cb 0.08 -2.31 0.00 0.00 0.11 0.00 0.00 30.24 28.12 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 0.75 0.00 -1.91 5.09 5.66 -1.04 -0.66 114.28 122.17 1in1 n THR 844 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 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 -1.49 1.09 3.00 -1.25 -4.98 118.16 114.53 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 -0.05 0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 -2.93 3.15 0.24 0.16 -4.81 118.33 114.15 1in1 n VAL 846 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 1in1 n VAL 846 Cb 0.26 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.23 1in1 n VAL 846 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1in1 s LEU 847 N -0.23 -0.88 0.00 1.34 2.01 -1.26 -4.98 118.68 114.68 1in1 s LEU 847 Ca 0.00 -1.92 -0.01 0.00 0.01 0.00 0.00 54.13 52.21 1in1 s LEU 847 Cb 0.00 1.42 0.06 0.00 0.01 0.00 0.00 46.19 47.68 1in1 s LEU 847 CO 0.00 -0.09 0.40 0.18 1.01 0.00 0.00 176.35 177.85 1in1 n LEU 848 N 3.06 0.00 -2.83 1.79 4.77 -1.26 -4.85 117.00 117.67 1in1 n LEU 848 Ca 0.20 -0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 55.13 1in1 n LEU 848 Cb 0.54 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1in1 n LEU 848 CO 0.00 -0.72 1.82 -0.90 -1.33 0.00 0.00 177.39 176.27 1in1 n ASP 849 N -3.05 7.01 0.00 -1.43 5.68 -1.26 -4.71 116.55 118.79 1in1 n ASP 849 Ca 0.06 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.13 1in1 n ASP 849 Cb 0.22 -1.26 0.00 0.00 -1.14 0.00 0.00 41.12 38.93 1in1 n ASP 849 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1in1 n ILE 850 N 1.05 0.00 0.00 2.12 -0.00 -1.23 -3.85 119.36 117.45 1in1 n ILE 850 Ca 0.53 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.31 1in1 n ILE 850 Cb 0.44 -0.07 0.00 0.00 -0.00 0.00 0.00 39.64 40.01 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 -0.06 0.00 -0.86 4.28 3.72 -1.26 -2.47 117.46 120.80 1in1 n PHE 851 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1in1 n PHE 851 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.13 0.00 -2.27 4.37 5.66 -1.25 0.58 114.28 121.51 1in1 n THR 852 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1in1 n THR 852 Cb 0.00 -0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 68.45 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 4.58 -0.21 3.22 1.09 0.00 -1.26 -4.95 105.19 107.67 1in1 n GLY 853 Ca 0.38 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.74 3.98 -0.82 1.61 1.01 2.42 -4.93 120.40 120.94 1in1 s VAL 854 Ca 0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 1in1 s VAL 854 Cb 0.00 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.98 1in1 s VAL 854 CO 0.00 -0.59 0.98 0.00 0.00 0.00 0.00 175.10 175.48 1in1 s ARG 855 N 1.35 3.43 -0.07 2.72 1.70 -1.26 -3.43 118.95 123.39 1in1 s ARG 855 Ca 0.04 -1.65 -0.00 0.00 -0.47 0.00 0.00 55.73 53.66 1in1 s ARG 855 Cb -0.24 -4.63 -0.03 0.00 -0.57 0.00 0.00 34.95 29.48 1in1 s ARG 855 CO -0.00 -1.67 -0.04 -0.48 -1.08 0.00 0.00 175.30 172.03 1in1 s LEU 856 N 2.53 3.36 -0.69 -1.89 0.05 -1.11 2.04 118.68 122.98 1in1 s LEU 856 Ca 0.25 0.04 -0.27 0.00 0.05 0.00 0.00 54.13 54.20 1in1 s LEU 856 Cb -0.11 -1.77 0.02 0.00 -2.05 0.00 0.00 46.19 42.29 1in1 s LEU 856 CO -0.04 0.36 1.33 -0.47 -0.55 0.00 0.00 176.35 176.98 1in1 s TYR 857 N -0.87 2.28 -0.41 3.48 5.04 1.22 -4.07 117.35 124.02 1in1 s TYR 857 Ca 0.13 0.14 -0.29 0.00 -2.44 0.00 0.00 57.07 54.61 1in1 s TYR 857 Cb -0.11 -4.55 0.02 0.00 0.35 0.00 0.00 41.96 37.67 1in1 s TYR 857 CO 0.03 -2.02 1.16 -1.17 -1.34 0.00 0.00 175.55 172.21 1in1 s LEU 858 N 5.94 3.74 0.42 6.97 2.96 -1.26 0.16 118.68 137.61 1in1 s LEU 858 Ca 0.40 0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 54.81 1in1 s LEU 858 Cb -0.09 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.98 1in1 s LEU 858 CO 0.18 -1.14 1.11 -2.16 -1.32 0.00 0.00 176.35 173.02 1in1 s PRO 859 N 4.23 3.99 0.43 0.98 0.04 -1.26 -4.90 135.00 138.52 1in1 s PRO 859 Ca 0.49 1.66 0.24 0.00 0.04 0.00 0.00 61.00 63.43 1in1 s PRO 859 Cb -0.10 -2.50 0.86 0.00 0.04 0.00 0.00 34.50 32.79 1in1 s PRO 859 CO 0.26 -0.33 1.80 -1.00 0.04 0.00 0.00 177.00 177.77 1in1 h PRO 860 N 2.33 0.00 0.00 0.56 0.13 -1.99 -2.46 132.00 130.57 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 0.23 -0.00 0.43 -0.23 0.00 0.00 178.00 179.04 1in1 n SER 861 N -3.36 0.50 -4.77 1.44 7.64 -1.26 -4.84 113.62 108.97 1in1 n SER 861 Ca 0.00 0.54 -0.40 0.00 1.01 0.00 0.00 58.87 60.03 1in1 n SER 861 Cb 0.45 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.06 2.65 0.26 0.44 2.01 -0.93 -4.97 115.64 112.04 1in1 s THR 862 Ca 0.12 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1in1 s THR 862 Cb 0.15 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1in1 s THR 862 CO 0.57 0.10 1.17 -2.16 -0.69 0.00 0.00 174.62 173.61 1in1 s PRO 863 N -2.14 4.54 -0.64 4.92 0.04 -1.26 -2.68 135.00 137.78 1in1 s PRO 863 Ca 0.55 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1in1 s PRO 863 Cb -0.38 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1in1 s PRO 863 CO 0.50 0.04 0.00 -0.25 0.04 0.00 0.00 177.00 177.33 1in1 n ASP 864 N 1.52 -4.06 -0.27 6.66 8.00 -1.26 -4.89 116.55 122.24 1in1 n ASP 864 Ca 0.01 0.15 0.07 0.00 0.71 0.00 0.00 54.79 55.73 1in1 n ASP 864 Cb 0.44 -2.09 0.19 0.00 -0.02 0.00 0.00 41.12 39.64 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 0.01 0.00 1.24 3.57 -1.84 -0.40 116.94 119.52 1in1 h PHE 865 Ca -0.12 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1in1 h PHE 865 Cb 0.50 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1in1 h PHE 865 CO 0.24 -0.25 0.00 0.45 -2.23 0.00 0.00 178.31 176.52 1in1 n SER 866 N -5.34 0.00 -0.36 0.41 2.88 -1.26 -0.45 113.62 109.50 1in1 n SER 866 Ca 0.16 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1in1 n SER 866 Cb 0.53 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 1in1 n SER 866 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1in1 h ARG 867 N 0.00 1.29 -0.66 -1.46 -0.00 -1.97 -2.82 114.38 108.76 1in1 h ARG 867 Ca 0.00 -0.10 0.12 0.00 -0.00 0.00 0.00 59.98 60.01 1in1 h ARG 867 Cb 0.00 -0.28 -0.12 0.00 -0.00 0.00 0.00 29.97 29.57 1in1 h ARG 867 CO 0.00 0.88 -0.19 1.28 -0.00 0.00 0.00 179.97 181.94 1in1 n LEU 868 N -4.38 -0.29 0.00 0.08 4.77 0.20 0.25 117.00 117.64 1in1 n LEU 868 Ca 0.11 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 1in1 n LEU 868 Cb 0.03 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1in1 n LEU 868 CO 0.37 -1.08 0.04 -1.14 -1.33 0.00 0.00 177.39 174.26 1in1 n ARG 869 N -5.05 0.00 -0.34 3.23 3.00 0.41 -1.41 116.66 116.50 1in1 n ARG 869 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.93 1in1 n ARG 869 Cb 0.31 -0.49 0.02 0.00 0.00 0.00 0.00 32.46 32.30 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 -0.11 -0.23 -0.15 -0.14 3.00 -1.00 -0.41 116.66 117.62 1in1 n ARG 870 Ca 0.00 1.36 -0.07 0.00 -0.00 0.00 0.00 57.85 59.14 1in1 n ARG 870 Cb 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 32.46 30.39 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 -0.99 0.00 -0.14 3.20 0.32 1.43 116.97 120.79 1in1 h TYR 871 Ca 0.29 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1in1 h TYR 871 Cb 0.51 0.48 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1in1 h TYR 871 CO -0.79 -0.24 0.00 0.34 -1.64 0.00 0.00 178.16 175.83 1in1 n PHE 872 N -4.21 0.00 -0.38 -3.82 -0.00 0.46 -0.41 117.46 109.09 1in1 n PHE 872 Ca -0.01 0.00 0.30 0.00 -0.00 0.00 0.00 57.45 57.75 1in1 n PHE 872 Cb 0.17 0.00 0.49 0.00 -0.00 0.00 0.00 39.48 40.14 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 -0.09 0.17 -2.13 3.14 -1.05 0.25 118.33 118.62 1in1 n VAL 873 Ca 0.00 1.09 -0.14 0.00 -2.96 0.00 0.00 64.34 62.33 1in1 n VAL 873 Cb 0.00 -1.80 -0.07 0.00 -1.06 0.00 0.00 33.84 30.91 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 -0.41 -0.97 1.55 0.00 0.31 -2.51 119.26 118.09 1in1 h ALA 874 Ca 0.60 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.67 1in1 h ALA 874 Cb 2.15 0.22 -0.18 0.00 0.00 0.00 0.00 17.79 19.97 1in1 h ALA 874 CO -0.17 -0.74 -0.08 1.19 0.00 0.00 0.00 179.25 179.44 1in1 n PHE 875 N -5.30 0.51 0.00 0.00 3.01 0.69 -4.67 117.46 111.71 1in1 n PHE 875 Ca -0.09 1.18 0.00 0.00 1.01 0.00 0.00 57.45 59.55 1in1 n PHE 875 Cb 0.21 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.52 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 -5.50 0.00 -0.22 4.37 8.00 -0.95 -4.87 116.55 117.37 1in1 n ASP 876 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1in1 n ASP 876 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.53 3.39 0.44 0.00 -1.18 -3.98 105.19 105.39 1in1 n GLY 877 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.22 -0.01 1.61 1.01 -1.22 -4.68 116.67 112.15 1in1 s ASP 878 Ca 0.00 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.85 1in1 s ASP 878 Cb 0.00 0.51 0.01 0.00 1.01 0.00 0.00 42.92 44.44 1in1 s ASP 878 CO 0.00 -0.92 -0.01 -0.76 0.21 0.00 0.00 175.17 173.68 1in1 s LEU 879 N -2.84 1.71 0.52 1.23 1.02 -1.26 -2.74 118.68 116.31 1in1 s LEU 879 Ca 0.06 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.21 1in1 s LEU 879 Cb 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.08 1in1 s LEU 879 CO -0.08 -0.02 0.14 -0.69 0.02 0.00 0.00 176.35 175.72 1in1 s VAL 880 N 0.32 1.35 -0.14 -1.59 1.01 -1.26 -5.02 120.40 115.07 1in1 s VAL 880 Ca -0.03 -1.83 -0.05 0.00 0.00 0.00 0.00 61.98 60.08 1in1 s VAL 880 Cb -0.05 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1in1 s VAL 880 CO -0.01 0.00 0.02 -1.10 0.00 0.00 0.00 175.10 174.01 1in1 s GLN 881 N -4.01 3.57 0.01 2.72 -0.21 0.38 -4.25 119.66 117.87 1in1 s GLN 881 Ca 0.16 -0.40 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 1in1 s GLN 881 Cb 0.00 -3.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 1in1 s GLN 881 CO 0.09 0.42 0.36 -1.91 -2.12 0.00 0.00 175.29 172.14 1in1 n GLU 882 N 3.04 -0.03 0.00 2.91 2.13 -1.26 0.92 120.64 128.34 1in1 n GLU 882 Ca -0.18 0.36 0.02 0.00 0.66 0.00 0.00 57.16 58.03 1in1 n GLU 882 Cb 0.53 -0.54 0.11 0.00 0.27 0.00 0.00 31.44 31.81 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 -2.82 0.00 -3.51 4.31 -1.74 -1.26 -3.92 117.46 108.52 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 -0.11 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 -1.62 2.66 0.00 5.98 1.01 5.64 -4.88 116.67 125.46 1in1 s ASP 884 Ca 0.06 -2.68 0.00 0.00 0.71 0.00 0.00 52.55 50.63 1in1 s ASP 884 Cb 0.03 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.35 1in1 s ASP 884 CO 0.04 -0.24 0.00 1.15 0.21 0.00 0.00 175.17 176.34 1in1 n MET 885 N 3.40 0.00 0.00 8.23 0.00 -1.20 -0.47 117.12 127.08 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 0.40 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 33.14 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 -1.09 0.00 0.44 3.17 -2.24 -1.26 1.27 114.28 114.58 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 -2.21 0.52 -3.68 3.42 7.64 -1.26 -4.94 113.62 113.12 1in1 n SER 887 Ca 0.00 -0.25 -0.11 0.00 1.01 0.00 0.00 58.87 59.52 1in1 n SER 887 Cb 0.00 1.15 0.08 0.00 -1.01 0.00 0.00 64.21 64.43 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 -1.92 1.51 0.00 -0.43 0.00 11.10 -4.98 120.51 125.78 1in1 n ALA 888 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1in1 n ALA 888 Cb 0.46 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.74 0.00 -4.38 0.00 5.66 -0.75 -4.69 114.28 106.38 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 -0.48 -0.10 0.00 -1.55 0.00 0.00 70.33 68.41 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 -1.73 1.75 -0.17 1.09 3.76 32.37 0.16 115.29 152.52 1in1 s HIS 890 Ca 0.00 -0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 54.03 1in1 s HIS 890 Cb 0.00 -1.01 0.07 0.00 1.11 0.00 0.00 32.58 32.76 1in1 s HIS 890 CO 0.00 0.12 0.37 0.14 -0.85 0.00 0.00 174.74 174.52 1in1 s VAL 891 N -3.22 -0.36 0.18 -0.90 -7.23 0.45 0.38 120.40 109.71 1in1 s VAL 891 Ca 0.29 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 1in1 s VAL 891 Cb 0.05 -0.58 -0.08 0.00 0.56 0.00 0.00 36.38 36.33 1in1 s VAL 891 CO 0.10 0.07 1.10 -0.22 -0.31 0.00 0.00 175.10 175.84 1in1 s LEU 892 N 2.08 4.49 0.00 1.32 0.20 0.42 -1.61 118.68 125.60 1in1 s LEU 892 Ca -0.04 2.10 0.00 0.00 0.69 0.00 0.00 54.13 56.88 1in1 s LEU 892 Cb -0.11 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 1in1 s LEU 892 CO -0.11 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.34 1in1 n GLY 893 N 1.99 0.00 0.00 7.98 0.00 0.84 -4.58 105.19 111.42 1in1 n GLY 893 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 2.12 0.00 0.00 1.61 7.64 -1.26 -4.96 113.62 118.76 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 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.11 0.00 0.00 1.43 -4.01 -1.26 -4.67 116.66 109.27 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 -0.42 0.00 0.00 -3.04 0.00 0.00 32.46 29.00 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 -0.61 0.00 -0.25 2.89 2.03 -1.26 0.62 116.55 119.97 1in1 n ASP 896 Ca 0.00 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.51 1in1 n ASP 896 Cb 0.00 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.73 -0.01 -3.20 -0.67 -0.00 -1.26 -2.90 118.16 109.39 1in1 n LYS 897 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1in1 n LYS 897 Cb 0.00 -1.15 -0.02 0.00 -0.00 0.00 0.00 35.03 33.86 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 -4.32 -1.16 0.20 -5.58 2.47 2.66 -4.37 114.94 104.84 1in1 s ASN 898 Ca -0.03 -0.22 0.23 0.00 0.42 0.00 0.00 52.86 53.26 1in1 s ASN 898 Cb 0.14 1.80 0.91 0.00 -1.45 0.00 0.00 41.25 42.65 1in1 s ASN 898 CO 0.39 -0.28 1.70 -0.81 -3.72 0.00 0.00 177.10 174.38 1in1 n PRO 899 N 5.12 0.17 0.00 0.43 -0.04 -1.03 -2.00 135.00 137.65 1in1 n PRO 899 Ca 0.06 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1in1 n PRO 899 Cb 0.54 -1.79 0.59 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.72 2.79 -2.85 0.55 0.00 -1.26 -4.83 120.51 113.18 1in1 n ALA 900 Ca 0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1in1 n ALA 900 Cb 0.26 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.51 3.94 0.04 0.00 0.00 -0.85 -4.76 121.76 117.62 1in1 s ALA 901 Ca 0.28 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.20 1in1 s ALA 901 Cb 0.20 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1in1 s ALA 901 CO 0.49 0.75 1.52 -1.14 0.00 0.00 0.00 175.76 177.38 1in1 s GLN 902 N -2.26 4.24 -0.99 0.00 -0.44 0.42 -4.52 119.66 116.10 1in1 s GLN 902 Ca 0.33 2.15 -0.20 0.00 -2.50 0.00 0.00 55.36 55.14 1in1 s GLN 902 Cb -0.13 -3.55 0.10 0.00 -1.64 0.00 0.00 33.01 27.79 1in1 s GLN 902 CO 0.23 -0.64 1.29 -1.14 0.50 0.00 0.00 175.29 175.53 1in1 s GLN 903 N 2.39 3.64 0.55 1.67 0.74 -1.26 0.17 119.66 127.56 1in1 s GLN 903 Ca 0.69 -1.58 0.08 0.00 0.05 0.00 0.00 55.36 54.60 1in1 s GLN 903 Cb -0.36 -5.11 0.07 0.00 1.10 0.00 0.00 33.01 28.70 1in1 s GLN 903 CO 0.29 -1.95 0.65 0.14 -0.55 0.00 0.00 175.29 173.88 1in1 s VAL 904 N 3.52 2.05 0.06 1.34 -7.23 -0.63 -2.43 120.40 117.08 1in1 s VAL 904 Ca 0.39 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1in1 s VAL 904 Cb -0.03 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 1in1 s VAL 904 CO -0.08 0.00 0.02 -0.24 -0.31 0.00 0.00 175.10 174.49 1in1 n SER 905 N -2.06 0.99 0.08 4.85 2.88 -1.26 -0.11 113.62 118.99 1in1 n SER 905 Ca 0.10 -1.31 -0.06 0.00 -1.33 0.00 0.00 58.87 56.27 1in1 n SER 905 Cb 0.62 0.15 0.10 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 0.27 0.00 -1.46 0.13 -1.97 -2.89 132.00 126.09 1in1 h PRO 906 Ca -0.05 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 1in1 h PRO 906 Cb 0.17 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1in1 h PRO 906 CO 0.07 0.82 -0.33 1.49 -0.23 0.00 0.00 178.00 179.82 1in1 h GLU 907 N 0.20 0.00 0.39 0.86 4.81 -1.97 -3.17 114.58 115.70 1in1 h GLU 907 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1in1 h GLU 907 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1in1 h GLU 907 CO 0.10 0.33 -0.19 2.35 -0.73 0.00 0.00 179.01 180.87 1in1 h TRP 908 N 0.00 -0.49 -0.55 0.92 7.01 -1.85 -0.59 115.95 120.40 1in1 h TRP 908 Ca -0.00 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.06 1in1 h TRP 908 Cb 0.79 0.16 -0.10 0.00 -2.10 0.00 0.00 29.16 27.91 1in1 h TRP 908 CO 0.00 -0.18 -0.47 0.82 -2.79 0.00 0.00 178.44 175.82 1in1 h ILE 909 N -0.80 0.06 0.53 2.65 2.04 -1.55 1.60 117.51 122.05 1in1 h ILE 909 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1in1 h ILE 909 Cb 0.53 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1in1 h ILE 909 CO 0.09 0.00 -0.47 -0.50 0.00 0.00 0.00 178.15 177.27 1in1 h TRP 910 N -0.27 -1.30 -0.91 1.37 -0.00 -1.56 0.40 115.95 113.68 1in1 h TRP 910 Ca 0.15 0.01 0.23 0.00 -0.00 0.00 0.00 58.89 59.28 1in1 h TRP 910 Cb 0.57 0.50 -0.06 0.00 -0.00 0.00 0.00 29.16 30.17 1in1 h TRP 910 CO -0.73 -0.64 0.62 0.00 -0.00 0.00 0.00 178.44 177.69 1in1 h ALA 911 N -1.02 2.48 -3.00 1.49 0.00 -0.30 0.45 119.26 119.37 1in1 h ALA 911 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1in1 h ALA 911 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1in1 h ALA 911 CO -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1in1 n ILE 913 N -0.50 -0.40 0.22 0.00 3.06 0.13 0.43 119.36 122.30 1in1 n ILE 913 Ca 0.00 2.05 0.07 0.00 -2.50 0.00 0.00 62.75 62.37 1in1 n ILE 913 Cb 0.00 -3.12 0.52 0.00 0.54 0.00 0.00 39.64 37.58 1in1 n ILE 913 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1in1 h ARG 914 N 0.00 0.00 0.00 9.51 9.65 -0.21 -1.65 114.38 131.69 1in1 h ARG 914 Ca 0.68 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.56 1in1 h ARG 914 Cb 1.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 1in1 h ARG 914 CO -0.84 0.22 -0.85 1.63 2.80 0.00 0.00 179.97 182.94 1in1 n LYS 915 N -4.01 0.20 -0.10 0.20 4.76 1.47 -4.92 118.16 115.74 1in1 n LYS 915 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1in1 n LYS 915 Cb 0.30 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.84 0.00 -3.78 1.97 0.00 0.35 -4.88 116.66 108.47 1in1 n ARG 916 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.63 1in1 n ARG 916 Cb 0.40 -3.01 -0.17 0.00 0.00 0.00 0.00 32.46 29.68 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 -0.08 0.78 -0.24 -0.14 3.03 -1.23 -3.51 118.95 117.55 1in1 s ARG 917 Ca 0.00 -0.15 -0.33 0.00 2.03 0.00 0.00 55.73 57.28 1in1 s ARG 917 Cb 0.00 -1.49 -0.15 0.00 -1.03 0.00 0.00 34.95 32.28 1in1 s ARG 917 CO 0.00 -0.42 1.05 1.28 -1.13 0.00 0.00 175.30 176.08 1in1 n LEU 918 N 5.07 0.59 0.00 -1.89 7.99 -1.03 -4.73 117.00 123.00 1in1 n LEU 918 Ca -0.09 0.87 0.00 0.00 -0.01 0.00 0.00 56.01 56.78 1in1 n LEU 918 Cb 0.49 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1in1 n LEU 918 CO 0.12 -0.89 0.00 1.33 -1.51 0.00 0.00 177.39 176.45 1in1 n VAL 919 N 2.32 0.00 -1.98 4.08 0.24 -1.26 -5.00 118.33 116.74 1in1 n VAL 919 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 1in1 n VAL 919 Cb -0.01 -1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 31.17 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 -2.32 3.05 0.07 2.33 0.00 -1.26 -4.95 121.76 118.68 1in1 s ALA 920 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1in1 s ALA 920 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 1in1 s ALA 920 CO 0.00 -2.32 1.27 -1.25 0.00 0.00 0.00 175.76 173.46 1in1 s PRO 921 N 5.29 4.39 0.00 0.00 0.04 -1.26 -4.88 135.00 138.58 1in1 s PRO 921 Ca 0.80 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1in1 s PRO 921 Cb -0.26 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1in1 s PRO 921 CO 0.33 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 177.03