#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 1.71 -0.21 1.61 7.64 -1.26 -4.06 113.62 119.05 1in1 n SER 836 Ca 0.00 0.29 0.01 0.00 1.01 0.00 0.00 58.87 60.18 1in1 n SER 836 Cb 0.00 -0.66 0.12 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.80 0.77 0.00 -0.43 0.00 -1.97 0.91 119.26 117.74 1in1 h ALA 837 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1in1 h ALA 837 Cb 1.02 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1in1 h ALA 837 CO -0.11 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 178.47 1in1 n ASP 838 N -5.08 0.06 0.13 0.00 5.75 -1.26 -0.38 116.55 115.77 1in1 n ASP 838 Ca 0.10 0.52 0.11 0.00 -0.01 0.00 0.00 54.79 55.50 1in1 n ASP 838 Cb 0.32 -0.53 0.03 0.00 -1.03 0.00 0.00 41.12 39.92 1in1 n ASP 838 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1in1 h GLU 839 N 0.00 0.00 0.00 0.11 4.39 0.68 -3.37 114.58 116.39 1in1 h GLU 839 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1in1 h GLU 839 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1in1 h GLU 839 CO 0.00 0.03 0.00 0.25 -1.16 0.00 0.00 179.01 178.13 1in1 n THR 840 N -2.80 0.00 0.19 1.13 -2.24 -0.62 -4.75 114.28 105.19 1in1 n THR 840 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1in1 n THR 840 Cb 0.57 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.51 1in1 n THR 840 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1in1 n LEU 841 N -1.27 0.00 0.00 3.22 0.00 0.49 -0.37 117.00 119.07 1in1 n LEU 841 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 56.01 56.52 1in1 n LEU 841 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.37 1in1 n LEU 841 CO 0.00 -0.51 0.36 0.00 0.00 0.00 0.00 177.39 177.24 1in1 n GLN 843 N -1.01 1.96 -2.24 0.00 1.13 0.51 -5.00 117.38 112.73 1in1 n GLN 843 Ca 0.00 -3.02 -0.02 0.00 -1.94 0.00 0.00 57.00 52.03 1in1 n GLN 843 Cb 0.20 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1in1 n GLN 843 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1in1 n THR 844 N -1.03 -7.72 0.00 5.09 -1.04 0.83 -3.19 114.28 107.21 1in1 n THR 844 Ca 0.25 0.90 0.00 0.00 -2.04 0.00 0.00 64.05 63.16 1in1 n THR 844 Cb 0.88 -5.80 0.00 0.00 -1.82 0.00 0.00 70.33 63.59 1in1 n THR 844 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1in1 n LYS 845 N 0.15 0.00 0.00 -2.82 4.76 -1.19 -4.51 118.16 114.55 1in1 n LYS 845 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1in1 n LYS 845 Cb 0.09 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 30.44 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 -1.22 0.00 0.00 -0.18 0.24 -1.19 -4.62 118.33 111.35 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 0.00 1.34 7.99 -1.26 -5.02 117.00 120.05 1in1 n LEU 847 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1in1 n LEU 847 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1in1 n LEU 847 CO 0.00 0.00 0.00 -0.11 -1.51 0.00 0.00 177.39 175.77 1in1 n LEU 848 N 0.00 0.00 -3.20 2.23 0.00 -1.26 -4.69 117.00 110.08 1in1 n LEU 848 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.79 1in1 n LEU 848 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 1in1 n LEU 848 CO 0.00 0.00 2.18 0.47 0.00 0.00 0.00 177.39 180.04 1in1 n ASP 849 N 0.00 4.12 0.00 1.96 9.92 -1.26 -4.55 116.55 126.74 1in1 n ASP 849 Ca 0.00 -2.32 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1in1 n ASP 849 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1in1 n ASP 849 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1in1 n ILE 850 N 4.50 0.00 0.00 0.53 2.08 -1.26 -4.09 119.36 121.12 1in1 n ILE 850 Ca 0.40 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1in1 n ILE 850 Cb 0.15 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 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 -0.38 1.39 3.72 -1.26 -3.24 117.46 117.69 1in1 n PHE 851 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1in1 n PHE 851 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.02 0.00 -3.51 4.37 5.66 -1.26 0.97 114.28 120.53 1in1 n THR 852 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1in1 n THR 852 Cb 0.00 -0.15 0.03 0.00 -1.55 0.00 0.00 70.33 68.66 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 2.14 -1.13 2.99 1.09 0.00 -1.21 -4.86 105.19 104.21 1in1 n GLY 853 Ca 0.16 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.27 1.58 -0.49 1.61 1.01 0.27 -4.94 120.40 116.18 1in1 s VAL 854 Ca 0.29 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1in1 s VAL 854 Cb -0.09 -1.63 -0.21 0.00 0.00 0.00 0.00 36.38 34.45 1in1 s VAL 854 CO 0.83 0.23 3.39 0.54 0.00 0.00 0.00 175.10 180.09 1in1 n ARG 855 N 4.72 2.48 -2.62 2.72 5.12 -1.26 -1.89 116.66 125.93 1in1 n ARG 855 Ca -0.15 -1.35 -0.43 0.00 -1.93 0.00 0.00 57.85 53.99 1in1 n ARG 855 Cb 0.47 -2.23 -0.02 0.00 -1.16 0.00 0.00 32.46 29.52 1in1 n ARG 855 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1in1 s LEU 856 N 0.05 4.03 -0.54 0.55 1.98 -1.16 1.73 118.68 125.32 1in1 s LEU 856 Ca 0.67 1.26 -0.28 0.00 -2.89 0.00 0.00 54.13 52.89 1in1 s LEU 856 Cb 0.27 -3.54 0.03 0.00 0.66 0.00 0.00 46.19 43.61 1in1 s LEU 856 CO -0.02 -0.78 1.12 -0.47 -1.89 0.00 0.00 176.35 174.31 1in1 s TYR 857 N 3.46 2.72 -0.47 5.38 5.04 0.49 -4.39 117.35 129.59 1in1 s TYR 857 Ca 0.46 0.45 -0.28 0.00 -2.44 0.00 0.00 57.07 55.26 1in1 s TYR 857 Cb -0.14 -4.39 0.03 0.00 0.35 0.00 0.00 41.96 37.80 1in1 s TYR 857 CO 0.11 -1.42 1.08 -1.17 -1.34 0.00 0.00 175.55 172.82 1in1 s LEU 858 N 4.58 3.74 0.37 6.97 1.98 -1.26 0.22 118.68 135.27 1in1 s LEU 858 Ca 0.42 0.41 -0.26 0.00 -2.89 0.00 0.00 54.13 51.82 1in1 s LEU 858 Cb -0.08 -3.46 -0.09 0.00 0.66 0.00 0.00 46.19 43.22 1in1 s LEU 858 CO 0.27 -1.19 1.13 -2.16 -1.89 0.00 0.00 176.35 172.51 1in1 s PRO 859 N 4.25 4.21 0.33 0.98 0.04 -1.26 -4.84 135.00 138.71 1in1 s PRO 859 Ca 0.45 1.76 0.26 0.00 0.04 0.00 0.00 61.00 63.51 1in1 s PRO 859 Cb -0.08 -2.75 1.00 0.00 0.04 0.00 0.00 34.50 32.71 1in1 s PRO 859 CO 0.30 -0.16 1.78 -1.00 0.04 0.00 0.00 177.00 177.95 1in1 h PRO 860 N 2.85 0.00 0.00 0.56 0.13 -1.98 -2.28 132.00 131.28 1in1 h PRO 860 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1in1 h PRO 860 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1in1 h PRO 860 CO 0.63 0.00 -0.39 0.43 -0.23 0.00 0.00 178.00 178.44 1in1 n SER 861 N -2.50 0.49 -4.77 1.44 7.64 -1.26 -4.87 113.62 109.80 1in1 n SER 861 Ca 0.02 0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.62 1in1 n SER 861 Cb 0.30 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 3.37 0.46 0.44 2.01 -0.86 -5.01 115.64 112.99 1in1 s THR 862 Ca 0.10 1.21 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 1in1 s THR 862 Cb 0.16 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 1in1 s THR 862 CO 0.66 0.17 1.10 -2.16 -0.69 0.00 0.00 174.62 173.70 1in1 s PRO 863 N -2.02 3.82 -1.48 4.92 0.04 -1.26 -2.84 135.00 136.19 1in1 s PRO 863 Ca 0.52 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1in1 s PRO 863 Cb -0.30 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1in1 s PRO 863 CO 0.38 -0.45 0.00 -0.25 0.04 0.00 0.00 177.00 176.71 1in1 n ASP 864 N -0.60 -5.39 -0.33 6.66 9.92 -1.26 -4.84 116.55 120.70 1in1 n ASP 864 Ca 0.08 0.34 0.02 0.00 -0.53 0.00 0.00 54.79 54.71 1in1 n ASP 864 Cb 0.50 -4.11 0.09 0.00 -0.64 0.00 0.00 41.12 36.96 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 -0.68 0.00 1.24 3.57 -1.85 -0.91 116.94 118.31 1in1 h PHE 865 Ca -0.28 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1in1 h PHE 865 Cb 1.14 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1in1 h PHE 865 CO 0.54 -0.40 0.00 0.43 -2.23 0.00 0.00 178.31 176.65 1in1 n SER 866 N -5.55 0.00 -0.10 0.41 7.64 -1.26 0.29 113.62 115.05 1in1 n SER 866 Ca 0.12 0.12 -0.09 0.00 1.01 0.00 0.00 58.87 60.03 1in1 n SER 866 Cb 0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1in1 n SER 866 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1in1 h ARG 867 N 0.00 0.46 -0.73 1.43 0.11 -1.89 -2.69 114.38 111.06 1in1 h ARG 867 Ca 0.00 -0.05 0.18 0.00 0.10 0.00 0.00 59.98 60.21 1in1 h ARG 867 Cb 0.00 -0.09 -0.14 0.00 1.11 0.00 0.00 29.97 30.85 1in1 h ARG 867 CO 0.00 0.36 -0.05 1.28 0.10 0.00 0.00 179.97 181.66 1in1 n LEU 868 N -4.80 -0.15 0.00 0.08 4.77 0.11 0.20 117.00 117.21 1in1 n LEU 868 Ca -0.01 1.24 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1in1 n LEU 868 Cb 0.06 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1in1 n LEU 868 CO 0.35 -1.24 0.05 -1.14 -1.33 0.00 0.00 177.39 174.08 1in1 n ARG 869 N -5.07 0.00 -0.35 3.23 0.63 0.15 -2.25 116.66 113.01 1in1 n ARG 869 Ca 0.15 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 57.02 1in1 n ARG 869 Cb 0.49 -0.61 -0.06 0.00 0.45 0.00 0.00 32.46 32.73 1in1 n ARG 869 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1in1 n ARG 870 N -0.54 -0.33 -0.06 -0.14 3.00 -0.98 -0.25 116.66 117.35 1in1 n ARG 870 Ca 0.00 1.27 -0.12 0.00 -0.00 0.00 0.00 57.85 59.00 1in1 n ARG 870 Cb 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 32.46 30.51 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 -1.34 0.00 -0.14 5.03 0.20 0.48 116.97 121.20 1in1 h TYR 871 Ca 0.16 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1in1 h TYR 871 Cb 0.37 0.62 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1in1 h TYR 871 CO -0.84 -0.42 0.00 0.34 -1.32 0.00 0.00 178.16 175.93 1in1 n PHE 872 N -4.85 0.00 -0.35 -3.82 -0.00 0.65 -0.23 117.46 108.86 1in1 n PHE 872 Ca -0.04 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.69 1in1 n PHE 872 Cb 0.29 0.00 0.46 0.00 -0.00 0.00 0.00 39.48 40.23 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 -0.11 0.02 -2.13 3.14 -0.79 0.37 118.33 118.83 1in1 n VAL 873 Ca 0.00 1.08 -0.01 0.00 -2.96 0.00 0.00 64.34 62.45 1in1 n VAL 873 Cb 0.00 -1.78 -0.00 0.00 -1.06 0.00 0.00 33.84 31.00 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 -0.99 -0.22 1.55 0.00 0.16 -2.82 119.26 117.83 1in1 h ALA 874 Ca 0.57 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1in1 h ALA 874 Cb 1.99 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1in1 h ALA 874 CO -0.20 -0.99 0.03 1.19 0.00 0.00 0.00 179.25 179.27 1in1 n PHE 875 N -2.17 0.17 0.00 0.00 3.72 0.16 -4.41 117.46 114.92 1in1 n PHE 875 Ca -0.01 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1in1 n PHE 875 Cb 0.02 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 1in1 n PHE 875 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1in1 n ASP 876 N -3.93 0.00 -0.24 4.37 8.00 -1.07 -4.75 116.55 118.92 1in1 n ASP 876 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1in1 n ASP 876 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.02 3.53 0.44 0.00 -1.19 -3.34 105.19 105.65 1in1 n GLY 877 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.65 -0.17 1.61 1.01 -0.79 -4.72 116.67 111.96 1in1 s ASP 878 Ca 0.00 1.17 0.01 0.00 0.71 0.00 0.00 52.55 54.44 1in1 s ASP 878 Cb 0.00 1.16 0.02 0.00 1.01 0.00 0.00 42.92 45.11 1in1 s ASP 878 CO 0.00 -0.29 -0.20 -0.76 0.21 0.00 0.00 175.17 174.13 1in1 s LEU 879 N 0.05 2.14 -0.10 1.23 2.01 -1.26 -2.99 118.68 119.76 1in1 s LEU 879 Ca -0.02 -0.63 -0.01 0.00 0.01 0.00 0.00 54.13 53.48 1in1 s LEU 879 Cb -0.04 -1.48 -0.03 0.00 0.01 0.00 0.00 46.19 44.66 1in1 s LEU 879 CO 0.02 0.02 -0.07 -0.69 1.01 0.00 0.00 176.35 176.65 1in1 s VAL 880 N 1.15 3.70 0.20 -1.59 1.01 -1.26 -5.01 120.40 118.60 1in1 s VAL 880 Ca 0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1in1 s VAL 880 Cb -0.14 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 1in1 s VAL 880 CO -0.10 0.56 1.51 -1.10 0.00 0.00 0.00 175.10 175.98 1in1 s GLN 881 N -0.30 4.24 0.00 2.72 -0.21 -0.65 -4.44 119.66 121.02 1in1 s GLN 881 Ca 0.04 2.33 -0.01 0.00 0.02 0.00 0.00 55.36 57.74 1in1 s GLN 881 Cb -0.13 -3.14 -0.00 0.00 1.00 0.00 0.00 33.01 30.74 1in1 s GLN 881 CO 0.02 -0.53 0.31 -1.91 -2.12 0.00 0.00 175.29 171.07 1in1 n GLU 882 N 3.34 -0.01 0.00 2.91 2.13 -1.26 0.90 120.64 128.64 1in1 n GLU 882 Ca 0.11 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1in1 n GLU 882 Cb 0.39 -0.47 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 -2.51 0.00 -3.46 4.31 -1.74 -1.26 -3.90 117.46 108.89 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 0.01 -0.01 -0.12 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 -1.46 2.86 0.00 5.98 1.01 5.39 -4.90 116.67 125.54 1in1 s ASP 884 Ca 0.00 -2.06 0.00 0.00 0.71 0.00 0.00 52.55 51.20 1in1 s ASP 884 Cb 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 42.92 43.62 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 4.16 0.00 0.00 8.23 0.00 -1.24 -1.64 117.12 126.64 1in1 n MET 885 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1in1 n MET 885 Cb 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.76 3.17 -2.24 -1.26 1.29 114.28 114.93 1in1 n THR 886 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1in1 n THR 886 Cb 0.00 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.75 0.61 -2.52 3.42 7.64 -1.26 -4.89 113.62 113.87 1in1 n SER 887 Ca 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1in1 n SER 887 Cb 0.00 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.68 0.00 0.00 -0.43 0.00 11.41 -5.02 120.51 124.78 1in1 n ALA 888 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1in1 n ALA 888 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.05 0.00 -4.38 0.00 5.66 -1.23 -4.84 114.28 109.44 1in1 n THR 889 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1in1 n THR 889 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.97 2.52 -0.12 1.09 3.76 22.00 0.18 115.29 143.75 1in1 s HIS 890 Ca 0.00 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1in1 s HIS 890 Cb 0.00 -1.36 0.06 0.00 1.11 0.00 0.00 32.58 32.39 1in1 s HIS 890 CO 0.00 0.36 0.25 0.14 -0.85 0.00 0.00 174.74 174.64 1in1 s VAL 891 N -1.09 -0.28 -0.09 -0.90 -7.23 0.76 0.18 120.40 111.74 1in1 s VAL 891 Ca 0.17 0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 1in1 s VAL 891 Cb -0.10 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 1in1 s VAL 891 CO 0.09 0.10 1.24 -0.22 -0.31 0.00 0.00 175.10 176.00 1in1 s LEU 892 N 2.03 4.25 0.04 1.32 0.20 0.59 -1.60 118.68 125.51 1in1 s LEU 892 Ca -0.02 1.80 0.00 0.00 0.69 0.00 0.00 54.13 56.59 1in1 s LEU 892 Cb -0.11 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1in1 s LEU 892 CO -0.08 -0.66 0.00 0.61 -0.29 0.00 0.00 176.35 175.92 1in1 n GLY 893 N 3.49 -2.23 0.00 7.98 0.00 0.29 -4.61 105.19 110.12 1in1 n GLY 893 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.83 0.00 0.00 1.61 7.64 -1.26 -4.99 113.62 118.45 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 -1.35 0.00 0.00 1.43 1.85 -1.26 -4.50 116.66 112.82 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 -0.85 0.00 -0.39 2.89 2.03 -1.26 0.74 116.55 119.70 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 0.00 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.71 -0.01 -3.16 -0.67 -0.00 -1.26 -3.22 118.16 109.12 1in1 n LYS 897 Ca 0.00 0.77 0.03 0.00 -0.00 0.00 0.00 58.31 59.12 1in1 n LYS 897 Cb 0.00 -1.64 -0.00 0.00 -0.00 0.00 0.00 35.03 33.38 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 -4.15 -1.49 0.03 -5.58 2.47 3.69 -4.32 114.94 105.58 1in1 s ASN 898 Ca -0.04 -0.08 0.19 0.00 0.42 0.00 0.00 52.86 53.35 1in1 s ASN 898 Cb 0.19 1.92 0.79 0.00 -1.45 0.00 0.00 41.25 42.70 1in1 s ASN 898 CO 0.57 -0.24 1.59 -0.81 -3.72 0.00 0.00 177.10 174.49 1in1 n PRO 899 N 5.10 0.02 0.00 0.43 -0.04 -1.07 -1.92 135.00 137.52 1in1 n PRO 899 Ca 0.07 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1in1 n PRO 899 Cb 0.55 -1.54 0.41 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.53 3.02 -1.47 0.55 0.00 -1.26 -4.87 120.51 114.95 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 0.22 -1.15 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 -0.64 0.00 -2.97 0.00 0.00 -0.81 -4.65 120.51 111.45 1in1 n ALA 901 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1in1 n ALA 901 Cb 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.63 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 1.53 2.61 -1.30 0.00 -1.52 0.47 -4.74 119.66 116.71 1in1 s GLN 902 Ca 0.00 -0.84 -0.08 0.00 -1.95 0.00 0.00 55.36 52.48 1in1 s GLN 902 Cb 0.00 -2.11 0.15 0.00 -0.22 0.00 0.00 33.01 30.83 1in1 s GLN 902 CO 0.00 0.28 2.04 1.04 -0.25 0.00 0.00 175.29 178.39 1in1 n GLN 903 N 3.22 3.87 -2.16 2.91 6.02 -1.23 0.27 117.38 130.27 1in1 n GLN 903 Ca -0.18 -3.47 -0.27 0.00 -0.01 0.00 0.00 57.00 53.07 1in1 n GLN 903 Cb 0.52 -2.85 0.11 0.00 1.02 0.00 0.00 30.24 29.04 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 0.04 2.15 0.17 5.09 -7.23 -0.63 -3.17 120.40 116.83 1in1 s VAL 904 Ca 0.44 -0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1in1 s VAL 904 Cb 0.12 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 1in1 s VAL 904 CO -0.02 0.00 0.03 -0.24 -0.31 0.00 0.00 175.10 174.56 1in1 n SER 905 N -3.16 1.65 0.13 4.85 2.88 -1.26 0.11 113.62 118.82 1in1 n SER 905 Ca 0.11 -1.84 -0.02 0.00 -1.33 0.00 0.00 58.87 55.78 1in1 n SER 905 Cb 0.60 0.29 0.16 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.05 0.00 -1.46 0.13 -1.99 -2.78 132.00 125.95 1in1 h PRO 906 Ca -0.14 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1in1 h PRO 906 Cb 0.48 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1in1 h PRO 906 CO 0.22 0.65 -0.11 0.93 -0.23 0.00 0.00 178.00 179.47 1in1 h GLU 907 N 0.04 0.00 -0.30 0.86 3.07 -1.96 -2.97 114.58 113.32 1in1 h GLU 907 Ca -0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1in1 h GLU 907 Cb 1.10 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1in1 h GLU 907 CO 0.08 0.11 -0.24 2.35 -1.40 0.00 0.00 179.01 179.91 1in1 h TRP 908 N 0.00 0.65 -0.23 4.33 7.01 -1.85 -0.73 115.95 125.14 1in1 h TRP 908 Ca -0.00 -0.14 -0.15 0.00 2.11 0.00 0.00 58.89 60.71 1in1 h TRP 908 Cb 0.78 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1in1 h TRP 908 CO 0.00 0.77 -0.46 0.82 -2.79 0.00 0.00 178.44 176.78 1in1 h ILE 909 N 0.51 1.31 0.14 2.65 2.04 -1.59 0.60 117.51 123.16 1in1 h ILE 909 Ca 0.07 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1in1 h ILE 909 Cb 0.69 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1in1 h ILE 909 CO 0.05 0.52 -0.07 -0.50 0.00 0.00 0.00 178.15 178.16 1in1 h TRP 910 N 0.47 -0.17 -0.27 1.37 -0.00 -1.47 0.36 115.95 116.23 1in1 h TRP 910 Ca 0.03 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.80 1in1 h TRP 910 Cb 0.99 0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 30.19 1in1 h TRP 910 CO 0.04 0.24 -0.31 0.00 -0.00 0.00 0.00 178.44 178.41 1in1 h ALA 911 N 0.11 0.97 0.48 1.49 0.00 -1.16 -2.80 119.26 118.34 1in1 h ALA 911 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1in1 h ALA 911 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1in1 h ALA 911 CO 0.03 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 1in1 h ILE 913 N -1.05 0.00 0.56 0.00 2.04 -0.30 0.23 117.51 118.99 1in1 h ILE 913 Ca -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1in1 h ILE 913 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1in1 h ILE 913 CO 0.11 0.00 -0.42 -0.09 0.00 0.00 0.00 178.15 177.75 1in1 h ARG 914 N -0.12 -0.92 0.00 2.37 1.12 -1.57 -0.14 114.38 115.11 1in1 h ARG 914 Ca 0.12 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1in1 h ARG 914 Cb 0.43 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1in1 h ARG 914 CO -0.73 -0.61 0.71 0.87 -3.11 0.00 0.00 179.97 177.09 1in1 h LYS 915 N -0.95 0.00 0.00 0.20 1.79 0.19 -3.42 116.57 114.38 1in1 h LYS 915 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1in1 h LYS 915 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1in1 h LYS 915 CO 0.02 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.93 1in1 n ARG 916 N -2.59 -0.58 -3.64 3.15 3.00 0.70 -4.87 116.66 111.82 1in1 n ARG 916 Ca -0.01 0.14 -0.12 0.00 -0.01 0.00 0.00 57.85 57.85 1in1 n ARG 916 Cb 0.73 -4.44 -0.12 0.00 0.00 0.00 0.00 32.46 28.63 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 -1.17 0.19 -0.12 5.56 3.03 -1.21 -3.99 118.95 121.24 1in1 s ARG 917 Ca 0.00 0.78 -0.23 0.00 2.03 0.00 0.00 55.73 58.31 1in1 s ARG 917 Cb 0.00 -0.02 -0.11 0.00 -1.03 0.00 0.00 34.95 33.79 1in1 s ARG 917 CO 0.00 -0.31 0.70 1.28 -1.13 0.00 0.00 175.30 175.84 1in1 n LEU 918 N 5.36 0.28 0.00 -1.89 7.99 -1.20 -4.80 117.00 122.74 1in1 n LEU 918 Ca -0.06 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.57 1in1 n LEU 918 Cb 0.50 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1in1 n LEU 918 CO 0.02 -0.78 0.00 1.33 -1.51 0.00 0.00 177.39 176.46 1in1 n VAL 919 N 1.39 0.00 -1.94 4.08 0.24 -1.26 -5.02 118.33 115.81 1in1 n VAL 919 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.01 1in1 n VAL 919 Cb 0.01 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.48 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 3.24 0.07 2.33 0.00 -1.26 -4.95 121.76 119.19 1in1 s ALA 920 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1in1 s ALA 920 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 1in1 s ALA 920 CO 0.00 -2.02 1.28 -1.25 0.00 0.00 0.00 175.76 173.77 1in1 s PRO 921 N 4.91 4.38 0.00 0.00 0.04 -1.26 -4.92 135.00 138.15 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 -0.30 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1in1 s PRO 921 CO 0.32 -0.35 0.00 0.00 0.04 0.00 0.00 177.00 177.01