#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 1.69 -0.30 1.61 7.64 -1.26 -3.97 113.62 119.03 1in1 n SER 836 Ca 0.00 0.46 -0.09 0.00 1.01 0.00 0.00 58.87 60.25 1in1 n SER 836 Cb 0.00 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.34 1in1 n SER 836 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1in1 h ALA 837 N -1.09 -0.48 -1.03 -0.43 0.00 -1.98 1.32 119.26 115.56 1in1 h ALA 837 Ca 0.00 0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.30 1in1 h ALA 837 Cb 0.67 1.27 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 1in1 h ALA 837 CO 0.00 -0.80 0.61 -0.44 0.00 0.00 0.00 179.25 178.62 1in1 h ASP 838 N -0.05 0.53 1.02 0.00 3.32 -1.97 1.81 116.42 121.08 1in1 h ASP 838 Ca 0.12 0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1in1 h ASP 838 Cb 0.35 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1in1 h ASP 838 CO -0.71 -0.06 -0.68 -0.33 -1.72 0.00 0.00 179.24 175.74 1in1 h GLU 839 N 0.37 0.00 0.00 3.56 4.39 0.10 -2.83 114.58 120.18 1in1 h GLU 839 Ca 0.70 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.40 1in1 h GLU 839 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1in1 h GLU 839 CO -0.52 0.68 -0.01 1.15 -1.16 0.00 0.00 179.01 179.15 1in1 h THR 840 N 0.00 1.76 0.00 1.13 2.02 1.06 -3.19 112.91 115.70 1in1 h THR 840 Ca -0.01 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1in1 h THR 840 Cb 1.38 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 71.07 1in1 h THR 840 CO 0.09 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.74 1in1 n LEU 841 N -4.63 0.00 0.00 2.58 7.99 0.46 -3.00 117.00 120.41 1in1 n LEU 841 Ca -0.10 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1in1 n LEU 841 Cb 0.46 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1in1 n LEU 841 CO 0.34 -0.11 0.40 0.00 -1.51 0.00 0.00 177.39 176.51 1in1 n GLN 843 N -1.19 3.03 0.00 0.00 1.13 -1.16 -4.95 117.38 114.22 1in1 n GLN 843 Ca 0.00 -4.69 0.00 0.00 -1.94 0.00 0.00 57.00 50.37 1in1 n GLN 843 Cb 0.10 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.15 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 0.73 0.00 -1.67 5.09 5.66 -1.00 -0.79 114.28 122.31 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 -1.59 1.09 3.00 -1.25 -4.97 118.16 114.44 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 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 34.94 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 -1.20 -3.00 3.15 0.24 0.03 -4.79 118.33 112.76 1in1 n VAL 846 Ca 0.00 0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 62.45 1in1 n VAL 846 Cb 0.22 -1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 31.54 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 1.58 -1.69 -4.95 1.34 7.99 -1.26 -4.98 117.00 115.03 1in1 n LEU 847 Ca 0.00 -3.82 -0.27 0.00 -0.01 0.00 0.00 56.01 51.91 1in1 n LEU 847 Cb 0.00 0.71 0.13 0.00 -0.11 0.00 0.00 43.42 44.15 1in1 n LEU 847 CO 0.00 1.98 0.70 -0.76 -1.51 0.00 0.00 177.39 177.80 1in1 s LEU 848 N -0.33 2.83 0.00 2.23 1.43 -1.26 -4.77 118.68 118.80 1in1 s LEU 848 Ca 0.33 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1in1 s LEU 848 Cb 0.12 -2.40 -0.18 0.00 0.03 0.00 0.00 46.19 43.77 1in1 s LEU 848 CO -0.16 -2.15 2.86 -0.90 0.23 0.00 0.00 176.35 176.24 1in1 n ASP 849 N -3.24 4.64 0.00 2.29 5.75 -1.26 -4.59 116.55 120.14 1in1 n ASP 849 Ca 0.13 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1in1 n ASP 849 Cb 0.60 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1in1 n ASP 849 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1in1 n ILE 850 N 2.30 0.00 0.00 2.12 2.08 -1.26 -3.58 119.36 121.02 1in1 n ILE 850 Ca 0.28 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.77 1in1 n ILE 850 Cb 0.71 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.95 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 -1.29 1.39 3.72 -1.26 -2.68 117.46 117.34 1in1 n PHE 851 Ca 0.00 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.85 1in1 n PHE 851 Cb 0.00 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.73 0.00 -0.68 4.37 5.66 -1.23 0.55 114.28 123.67 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 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 7.22 0.87 3.58 1.09 0.00 -1.25 -4.93 105.19 111.77 1in1 n GLY 853 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.84 3.79 -1.07 1.61 1.01 2.20 -4.81 120.40 120.29 1in1 s VAL 854 Ca 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 1in1 s VAL 854 Cb 0.00 -4.29 0.23 0.00 0.00 0.00 0.00 36.38 32.33 1in1 s VAL 854 CO 0.00 -0.97 1.12 0.00 0.00 0.00 0.00 175.10 175.25 1in1 s ARG 855 N 5.40 4.03 -0.13 2.72 1.70 -1.26 -3.42 118.95 127.99 1in1 s ARG 855 Ca 0.58 -2.85 -0.07 0.00 -0.47 0.00 0.00 55.73 52.92 1in1 s ARG 855 Cb -0.12 -4.67 -0.04 0.00 -0.57 0.00 0.00 34.95 29.55 1in1 s ARG 855 CO 0.28 -1.40 0.13 -0.48 -1.08 0.00 0.00 175.30 172.75 1in1 s LEU 856 N -0.13 4.31 -0.69 -1.89 0.05 -1.13 2.05 118.68 121.25 1in1 s LEU 856 Ca 0.31 0.40 -0.27 0.00 0.05 0.00 0.00 54.13 54.62 1in1 s LEU 856 Cb -0.08 -2.06 0.03 0.00 -2.05 0.00 0.00 46.19 42.02 1in1 s LEU 856 CO -0.07 0.36 1.32 -0.47 -0.55 0.00 0.00 176.35 176.94 1in1 s TYR 857 N -0.74 2.30 -0.43 3.48 5.04 1.44 -4.32 117.35 124.11 1in1 s TYR 857 Ca 0.13 0.13 -0.29 0.00 -2.44 0.00 0.00 57.07 54.61 1in1 s TYR 857 Cb -0.12 -4.55 0.03 0.00 0.35 0.00 0.00 41.96 37.66 1in1 s TYR 857 CO 0.03 -2.00 1.09 -1.17 -1.34 0.00 0.00 175.55 172.16 1in1 s LEU 858 N 5.86 3.76 0.42 6.97 2.96 -1.26 0.20 118.68 137.59 1in1 s LEU 858 Ca 0.40 0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 54.68 1in1 s LEU 858 Cb -0.08 -3.51 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1in1 s LEU 858 CO 0.18 -1.12 1.11 -2.16 -1.32 0.00 0.00 176.35 173.05 1in1 s PRO 859 N 4.14 4.00 0.45 0.98 0.04 -1.26 -4.91 135.00 138.44 1in1 s PRO 859 Ca 0.46 1.67 0.25 0.00 0.04 0.00 0.00 61.00 63.42 1in1 s PRO 859 Cb -0.09 -2.52 0.90 0.00 0.04 0.00 0.00 34.50 32.83 1in1 s PRO 859 CO 0.26 -0.32 1.81 -1.00 0.04 0.00 0.00 177.00 177.79 1in1 h PRO 860 N 2.37 0.00 0.00 0.56 0.13 -1.99 -2.45 132.00 130.62 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 0.19 0.00 0.43 -0.23 0.00 0.00 178.00 179.01 1in1 n SER 861 N -3.31 0.45 -4.77 1.44 7.64 -1.26 -4.82 113.62 108.99 1in1 n SER 861 Ca 0.01 0.55 -0.39 0.00 1.01 0.00 0.00 58.87 60.04 1in1 n SER 861 Cb 0.44 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.07 3.08 0.47 0.44 2.01 -0.93 -5.00 115.64 112.64 1in1 s THR 862 Ca 0.11 0.98 -0.22 0.00 0.31 0.00 0.00 61.69 62.88 1in1 s THR 862 Cb 0.14 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 1in1 s THR 862 CO 0.54 0.16 1.10 -2.16 -0.69 0.00 0.00 174.62 173.57 1in1 s PRO 863 N -2.00 3.78 -0.49 4.92 0.04 -1.26 -2.87 135.00 137.12 1in1 s PRO 863 Ca 0.52 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1in1 s PRO 863 Cb -0.34 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1in1 s PRO 863 CO 0.43 -0.49 0.00 -0.25 0.04 0.00 0.00 177.00 176.73 1in1 n ASP 864 N -0.69 -4.76 -0.27 6.66 8.00 -1.26 -4.86 116.55 119.38 1in1 n ASP 864 Ca 0.08 0.11 0.08 0.00 0.71 0.00 0.00 54.79 55.77 1in1 n ASP 864 Cb 0.50 -2.66 0.21 0.00 -0.02 0.00 0.00 41.12 39.15 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 0.17 0.00 1.24 3.57 -1.86 0.28 116.94 120.34 1in1 h PHE 865 Ca -0.09 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1in1 h PHE 865 Cb 0.70 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1in1 h PHE 865 CO 0.38 -0.19 0.00 0.45 -2.23 0.00 0.00 178.31 176.73 1in1 n SER 866 N -5.25 0.00 -0.12 0.41 2.88 -1.26 -0.33 113.62 109.95 1in1 n SER 866 Ca 0.16 0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1in1 n SER 866 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.92 -0.71 -1.46 3.08 -1.94 -3.21 114.38 111.07 1in1 h ARG 867 Ca 0.00 -0.47 0.12 0.00 0.07 0.00 0.00 59.98 59.70 1in1 h ARG 867 Cb 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.94 1in1 h ARG 867 CO 0.00 1.13 -0.23 1.28 -1.07 0.00 0.00 179.97 181.07 1in1 n LEU 868 N -4.06 -0.37 0.00 3.04 4.77 0.34 0.28 117.00 120.99 1in1 n LEU 868 Ca -0.02 1.23 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1in1 n LEU 868 Cb 0.53 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1in1 n LEU 868 CO 0.48 -1.13 0.15 -1.14 -1.33 0.00 0.00 177.39 174.42 1in1 n ARG 869 N -5.09 0.00 -0.35 3.23 3.00 0.55 -1.24 116.66 116.76 1in1 n ARG 869 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 1in1 n ARG 869 Cb 0.31 -0.78 -0.05 0.00 0.00 0.00 0.00 32.46 31.95 1in1 n ARG 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1in1 h ARG 870 N 0.00 -0.06 -0.48 -0.14 -0.00 -1.53 -0.58 114.38 111.59 1in1 h ARG 870 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.53 1in1 h ARG 870 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 29.92 1in1 h ARG 870 CO 0.00 -0.04 -0.31 -0.92 0.00 0.00 0.00 179.97 178.70 1in1 h TYR 871 N -0.06 -1.00 0.00 3.04 3.20 0.39 1.33 116.97 123.86 1in1 h TYR 871 Ca 0.22 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1in1 h TYR 871 Cb 0.51 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1in1 h TYR 871 CO -0.91 -0.21 0.00 0.34 -1.64 0.00 0.00 178.16 175.74 1in1 n PHE 872 N -4.19 0.00 -0.27 -3.82 -0.00 -0.26 -0.46 117.46 108.46 1in1 n PHE 872 Ca 0.01 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.68 1in1 n PHE 872 Cb 0.15 0.00 0.37 0.00 -0.00 0.00 0.00 39.48 40.00 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 -0.12 0.09 -2.13 3.14 -0.97 0.32 118.33 118.67 1in1 n VAL 873 Ca 0.00 0.95 -0.12 0.00 -2.96 0.00 0.00 64.34 62.20 1in1 n VAL 873 Cb 0.00 -1.55 -0.06 0.00 -1.06 0.00 0.00 33.84 31.16 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 0.82 -0.20 -0.98 1.55 0.00 0.26 -2.11 119.26 118.60 1in1 h ALA 874 Ca 0.47 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 55.69 1in1 h ALA 874 Cb 1.57 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 1in1 h ALA 874 CO -0.23 -0.63 0.34 0.74 0.00 0.00 0.00 179.25 179.48 1in1 h PHE 875 N -0.23 0.50 0.00 0.00 -1.00 0.79 -3.43 116.94 113.57 1in1 h PHE 875 Ca 0.01 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1in1 h PHE 875 Cb 0.23 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1in1 h PHE 875 CO -0.12 -0.38 0.00 -0.25 -1.61 0.00 0.00 178.31 175.95 1in1 n ASP 876 N -5.29 0.00 -0.41 2.17 9.92 -0.80 -4.78 116.55 117.36 1in1 n ASP 876 Ca 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1in1 n ASP 876 Cb 0.99 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.47 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 1.43 3.46 0.44 0.00 -1.17 -3.91 105.19 105.44 1in1 n GLY 877 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.59 -0.09 1.61 1.11 -1.22 -4.67 116.67 111.81 1in1 s ASP 878 Ca 0.00 0.32 0.01 0.00 0.18 0.00 0.00 52.55 53.05 1in1 s ASP 878 Cb 0.00 0.56 0.02 0.00 1.07 0.00 0.00 42.92 44.57 1in1 s ASP 878 CO 0.00 -0.80 -0.09 -0.76 1.18 0.00 0.00 175.17 174.70 1in1 s LEU 879 N -2.02 1.36 -0.09 1.23 1.43 -1.26 -2.85 118.68 116.48 1in1 s LEU 879 Ca -0.05 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1in1 s LEU 879 Cb -0.01 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 1in1 s LEU 879 CO -0.02 -0.06 -0.01 -0.69 0.23 0.00 0.00 176.35 175.80 1in1 s VAL 880 N 1.25 4.25 0.19 -1.59 1.01 -1.26 -4.99 120.40 119.26 1in1 s VAL 880 Ca -0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1in1 s VAL 880 Cb -0.14 -2.79 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 1in1 s VAL 880 CO -0.03 0.60 1.47 -1.10 0.00 0.00 0.00 175.10 176.04 1in1 s GLN 881 N -0.80 4.26 0.00 2.72 -0.21 -0.67 -4.45 119.66 120.51 1in1 s GLN 881 Ca 0.12 2.27 0.00 0.00 0.02 0.00 0.00 55.36 57.77 1in1 s GLN 881 Cb -0.11 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1in1 s GLN 881 CO 0.02 -0.49 0.32 -1.91 -2.12 0.00 0.00 175.29 171.11 1in1 n GLU 882 N 3.25 0.00 0.00 2.91 2.13 -1.26 0.84 120.64 128.51 1in1 n GLU 882 Ca 0.10 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1in1 n GLU 882 Cb 0.40 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.63 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 -2.24 0.00 -3.43 4.31 1.16 -1.26 -3.80 117.46 112.20 1in1 n PHE 883 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.32 1in1 n PHE 883 Cb 0.00 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 37.76 1in1 n PHE 883 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1in1 s ASP 884 N -1.53 2.48 0.00 5.98 1.01 4.78 -4.91 116.67 124.49 1in1 s ASP 884 Ca 0.00 -2.05 0.00 0.00 0.71 0.00 0.00 52.55 51.21 1in1 s ASP 884 Cb 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1in1 s ASP 884 CO 0.00 -0.29 0.00 1.15 0.21 0.00 0.00 175.17 176.24 1in1 n MET 885 N 4.07 0.00 0.00 8.23 0.00 -1.23 -1.67 117.12 126.52 1in1 n MET 885 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1in1 n MET 885 Cb 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.24 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 -1.07 0.00 0.68 3.17 -2.24 -1.26 1.41 114.28 114.97 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 68.22 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 -1.82 0.65 -3.52 3.42 7.64 -1.26 -4.93 113.62 113.79 1in1 n SER 887 Ca 0.00 -0.41 -0.10 0.00 1.01 0.00 0.00 58.87 59.38 1in1 n SER 887 Cb 0.00 0.89 0.09 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.74 -1.67 0.00 -0.43 0.00 13.93 -4.99 120.51 125.60 1in1 n ALA 888 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1in1 n ALA 888 Cb 0.41 -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 -3.85 0.00 -4.36 0.00 5.66 -1.01 -4.72 114.28 106.01 1in1 n THR 889 Ca 0.04 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.85 1in1 n THR 889 Cb 0.19 -0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 68.60 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 -1.43 1.77 -0.12 1.09 3.76 32.73 -2.15 115.29 150.93 1in1 s HIS 890 Ca 0.00 -0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 1in1 s HIS 890 Cb 0.00 -0.82 0.03 0.00 1.11 0.00 0.00 32.58 32.90 1in1 s HIS 890 CO 0.00 0.39 0.33 0.14 -0.85 0.00 0.00 174.74 174.75 1in1 s VAL 891 N -2.85 -0.00 -0.22 -0.90 -7.23 0.66 0.42 120.40 110.27 1in1 s VAL 891 Ca 0.23 0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.20 1in1 s VAL 891 Cb -0.02 -0.46 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 1in1 s VAL 891 CO 0.08 0.00 0.61 -0.22 -0.31 0.00 0.00 175.10 175.26 1in1 s LEU 892 N 0.28 4.11 0.05 1.32 2.96 0.53 -0.93 118.68 126.99 1in1 s LEU 892 Ca -0.01 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1in1 s LEU 892 Cb -0.03 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1in1 s LEU 892 CO -0.01 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1in1 n GLY 893 N 3.99 -3.39 0.00 7.98 0.00 0.51 -4.55 105.19 109.73 1in1 n GLY 893 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.68 0.00 0.00 1.43 1.85 -1.26 -4.39 116.66 112.61 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 -0.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 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 -0.75 0.00 -0.34 2.89 2.03 -1.26 0.71 116.55 119.84 1in1 n ASP 896 Ca 0.00 0.00 0.27 0.00 0.52 0.00 0.00 54.79 55.58 1in1 n ASP 896 Cb 0.00 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.53 -0.01 -3.18 -0.67 -0.00 -1.26 -3.05 118.16 109.46 1in1 n LYS 897 Ca 0.00 0.68 0.02 0.00 -0.00 0.00 0.00 58.31 59.01 1in1 n LYS 897 Cb 0.00 -1.43 -0.01 0.00 -0.00 0.00 0.00 35.03 33.59 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 -4.19 -1.43 0.13 -5.58 2.47 3.48 -4.20 114.94 105.61 1in1 s ASN 898 Ca -0.04 -0.11 0.21 0.00 0.42 0.00 0.00 52.86 53.35 1in1 s ASN 898 Cb 0.17 1.94 0.86 0.00 -1.45 0.00 0.00 41.25 42.76 1in1 s ASN 898 CO 0.49 -0.27 1.66 -0.81 -3.72 0.00 0.00 177.10 174.44 1in1 n PRO 899 N 5.16 0.11 0.00 0.43 -0.04 -1.07 -1.97 135.00 137.62 1in1 n PRO 899 Ca 0.06 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1in1 n PRO 899 Cb 0.54 -1.69 0.59 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.65 2.65 -1.83 0.55 0.00 -1.26 -4.86 120.51 114.11 1in1 n ALA 900 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1in1 n ALA 900 Cb 0.25 -1.23 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 -0.18 0.00 -3.06 0.00 0.00 -0.83 -4.71 120.51 111.72 1in1 n ALA 901 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 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 2.54 1.84 -1.28 0.00 -1.52 -0.92 -4.81 119.66 115.52 1in1 s GLN 902 Ca 0.00 -0.58 -0.08 0.00 -1.95 0.00 0.00 55.36 52.75 1in1 s GLN 902 Cb 0.00 -1.56 0.16 0.00 -0.22 0.00 0.00 33.01 31.39 1in1 s GLN 902 CO 0.00 0.18 2.00 1.04 -0.25 0.00 0.00 175.29 178.27 1in1 n GLN 903 N 3.33 3.96 -2.10 2.91 3.00 -1.20 0.24 117.38 127.52 1in1 n GLN 903 Ca -0.19 -3.57 -0.28 0.00 -0.01 0.00 0.00 57.00 52.95 1in1 n GLN 903 Cb 0.53 -2.82 0.14 0.00 0.00 0.00 0.00 30.24 28.09 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 -0.26 2.07 0.04 5.09 -7.23 -0.10 -3.74 120.40 116.27 1in1 s VAL 904 Ca 0.43 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1in1 s VAL 904 Cb 0.12 -2.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 1in1 s VAL 904 CO -0.02 0.00 0.01 -1.54 -0.31 0.00 0.00 175.10 173.25 1in1 n SER 905 N -3.40 1.01 0.15 4.85 3.41 -1.26 -0.36 113.62 118.02 1in1 n SER 905 Ca 0.13 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1in1 n SER 905 Cb 0.60 0.10 0.21 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 -0.06 4.33 0.13 -1.99 -2.91 132.00 131.50 1in1 h PRO 906 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 1in1 h PRO 906 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1in1 h PRO 906 CO 0.05 0.56 -0.47 0.93 -0.23 0.00 0.00 178.00 178.84 1in1 h GLU 907 N 0.00 0.13 -0.28 0.86 5.08 -1.99 -2.77 114.58 115.61 1in1 h GLU 907 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1in1 h GLU 907 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1in1 h GLU 907 CO 0.07 0.58 -0.09 2.35 -1.00 0.00 0.00 179.01 180.93 1in1 h TRP 908 N 0.11 0.63 0.10 4.33 7.01 -1.86 -0.41 115.95 125.86 1in1 h TRP 908 Ca 0.00 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.88 1in1 h TRP 908 Cb 0.88 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 1in1 h TRP 908 CO 0.01 0.77 -0.18 0.82 -2.79 0.00 0.00 178.44 177.07 1in1 h ILE 909 N 0.31 0.60 0.72 2.65 2.04 -1.48 1.38 117.51 123.72 1in1 h ILE 909 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1in1 h ILE 909 Cb 0.58 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1in1 h ILE 909 CO 0.03 0.00 -0.39 -0.50 0.00 0.00 0.00 178.15 177.29 1in1 h TRP 910 N -0.34 -1.04 -0.47 1.37 -0.00 -1.48 0.41 115.95 114.41 1in1 h TRP 910 Ca 0.02 -0.02 0.08 0.00 -0.00 0.00 0.00 58.89 58.98 1in1 h TRP 910 Cb 0.36 0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 29.85 1in1 h TRP 910 CO -0.18 -0.61 0.32 0.00 -0.00 0.00 0.00 178.44 177.97 1in1 h ALA 911 N -0.79 2.04 -1.83 1.49 0.00 -0.93 0.31 119.26 119.55 1in1 h ALA 911 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1in1 h ALA 911 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1in1 h ALA 911 CO 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1in1 h ILE 913 N 0.00 0.21 0.00 0.00 2.10 -0.17 2.82 117.51 122.46 1in1 h ILE 913 Ca 0.00 -0.06 -0.05 0.00 1.08 0.00 0.00 64.86 65.83 1in1 h ILE 913 Cb 0.00 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.74 1in1 h ILE 913 CO 0.00 0.03 -0.24 -0.09 -1.08 0.00 0.00 178.15 176.78 1in1 h ARG 914 N 0.18 0.00 0.00 2.19 2.43 -0.47 -1.59 114.38 117.13 1in1 h ARG 914 Ca 0.66 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1in1 h ARG 914 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1in1 h ARG 914 CO -0.70 0.24 -0.57 1.63 -1.51 0.00 0.00 179.97 179.05 1in1 n LYS 915 N -3.79 0.08 -0.71 0.20 4.76 0.89 -4.91 118.16 114.67 1in1 n LYS 915 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1in1 n LYS 915 Cb 0.34 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.65 -0.31 -3.63 1.97 3.00 0.17 -4.89 116.66 111.32 1in1 n ARG 916 Ca 0.05 0.08 -0.13 0.00 -0.01 0.00 0.00 57.85 57.84 1in1 n ARG 916 Cb 0.36 -4.06 -0.12 0.00 0.00 0.00 0.00 32.46 28.64 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 -0.88 0.19 -0.30 5.56 3.03 -1.21 -4.18 118.95 121.16 1in1 s ARG 917 Ca 0.00 0.73 -0.40 0.00 2.03 0.00 0.00 55.73 58.09 1in1 s ARG 917 Cb 0.00 -0.11 -0.18 0.00 -1.03 0.00 0.00 34.95 33.63 1in1 s ARG 917 CO 0.00 -0.34 1.27 1.28 -1.13 0.00 0.00 175.30 176.38 1in1 n LEU 918 N 5.36 0.72 0.00 -1.89 7.99 -1.09 -4.73 117.00 123.35 1in1 n LEU 918 Ca -0.06 1.05 0.00 0.00 -0.01 0.00 0.00 56.01 56.99 1in1 n LEU 918 Cb 0.50 -0.80 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1in1 n LEU 918 CO 0.03 -1.06 0.00 1.33 -1.51 0.00 0.00 177.39 176.18 1in1 n VAL 919 N 2.82 0.00 -2.08 4.08 0.24 -1.26 -5.00 118.33 117.13 1in1 n VAL 919 Ca 0.24 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.11 1in1 n VAL 919 Cb -0.01 -1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 31.19 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 -2.29 3.06 0.08 2.33 0.00 -1.26 -4.96 121.76 118.72 1in1 s ALA 920 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.96 1in1 s ALA 920 Cb 0.00 -3.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 1in1 s ALA 920 CO 0.00 -2.31 1.26 -1.25 0.00 0.00 0.00 175.76 173.46 1in1 s PRO 921 N 5.16 4.39 0.00 0.00 0.04 -1.26 -4.89 135.00 138.44 1in1 s PRO 921 Ca 0.74 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1in1 s PRO 921 Cb -0.23 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1in1 s PRO 921 CO 0.32 -0.32 0.00 0.00 0.04 0.00 0.00 177.00 177.04