#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 1.85 -0.30 1.61 2.88 -1.26 -3.92 113.62 114.48 1in1 n SER 836 Ca 0.00 0.50 -0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1in1 n SER 836 Cb 0.00 -0.88 -0.10 0.00 -0.75 0.00 0.00 64.21 62.48 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 -0.83 -0.64 -0.97 -1.46 0.00 -1.99 1.08 119.26 114.45 1in1 h ALA 837 Ca -0.18 0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.06 1in1 h ALA 837 Cb 0.93 1.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.86 1in1 h ALA 837 CO -0.11 -0.99 0.52 -0.44 0.00 0.00 0.00 179.25 178.23 1in1 h ASP 838 N -0.16 0.50 1.08 0.00 3.32 -1.97 1.72 116.42 120.91 1in1 h ASP 838 Ca 0.12 0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 1in1 h ASP 838 Cb 0.48 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1in1 h ASP 838 CO -0.79 -0.03 -0.46 -0.33 -1.72 0.00 0.00 179.24 175.92 1in1 h GLU 839 N 0.42 0.00 0.01 3.56 4.39 0.43 -2.72 114.58 120.67 1in1 h GLU 839 Ca 0.65 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.32 1in1 h GLU 839 Cb 1.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1in1 h GLU 839 CO -0.55 0.46 -0.18 1.15 -1.16 0.00 0.00 179.01 178.73 1in1 h THR 840 N 0.00 1.70 0.00 1.13 2.02 0.93 -3.23 112.91 115.46 1in1 h THR 840 Ca -0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.82 1in1 h THR 840 Cb 1.12 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 70.81 1in1 h THR 840 CO 0.06 0.59 0.00 0.18 0.37 0.00 0.00 175.52 176.72 1in1 n LEU 841 N -4.55 0.00 0.00 2.58 7.99 0.46 -3.01 117.00 120.47 1in1 n LEU 841 Ca -0.12 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1in1 n LEU 841 Cb 0.53 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1in1 n LEU 841 CO 0.34 -0.09 0.39 0.00 -1.51 0.00 0.00 177.39 176.52 1in1 n GLN 843 N -1.20 3.21 0.00 0.00 1.13 -1.16 -4.96 117.38 114.39 1in1 n GLN 843 Ca 0.00 -4.72 0.00 0.00 -1.94 0.00 0.00 57.00 50.34 1in1 n GLN 843 Cb 0.08 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.13 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 0.51 0.00 -1.38 5.09 5.66 -0.99 -0.93 114.28 122.24 1in1 n THR 844 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1in1 n THR 844 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 -1.53 1.09 4.76 -1.25 -4.96 118.16 116.27 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 -0.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 -0.59 -2.92 -0.18 0.24 -0.10 -4.81 118.33 109.96 1in1 n VAL 846 Ca 0.00 0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 62.33 1in1 n VAL 846 Cb 0.20 -0.65 0.04 0.00 -1.47 0.00 0.00 33.84 31.96 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 1.36 -1.07 0.00 1.34 7.99 -1.26 -4.98 117.00 120.38 1in1 n LEU 847 Ca 0.00 -4.22 -0.06 0.00 -0.01 0.00 0.00 56.01 51.72 1in1 n LEU 847 Cb 0.00 0.84 0.05 0.00 -0.11 0.00 0.00 43.42 44.20 1in1 n LEU 847 CO 0.00 2.16 0.10 0.18 -1.51 0.00 0.00 177.39 178.32 1in1 n LEU 848 N 0.44 0.00 -3.04 2.23 4.77 -1.26 -4.70 117.00 115.44 1in1 n LEU 848 Ca 0.14 -0.21 -0.36 0.00 -0.03 0.00 0.00 56.01 55.55 1in1 n LEU 848 Cb 0.67 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1in1 n LEU 848 CO 0.11 -1.42 1.68 -0.90 -1.33 0.00 0.00 177.39 175.54 1in1 n ASP 849 N -3.43 7.28 0.00 -1.43 5.68 -1.26 -4.71 116.55 118.68 1in1 n ASP 849 Ca 0.03 -3.50 0.00 0.00 -0.50 0.00 0.00 54.79 50.82 1in1 n ASP 849 Cb 0.11 -1.19 0.00 0.00 -1.14 0.00 0.00 41.12 38.91 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 0.36 0.00 0.00 2.12 -0.00 -1.25 -3.90 119.36 116.69 1in1 n ILE 850 Ca 0.53 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.30 1in1 n ILE 850 Cb 0.33 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.88 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 -1.26 4.28 3.72 -1.26 -3.05 117.46 119.89 1in1 n PHE 851 Ca 0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 1in1 n PHE 851 Cb 0.00 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.50 0.00 -0.87 4.37 5.66 -1.25 0.62 114.28 123.30 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 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 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 6.52 0.55 3.58 1.09 0.00 -1.25 -4.95 105.19 110.74 1in1 n GLY 853 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.56 4.08 -0.89 1.61 1.01 2.67 -4.84 120.40 121.48 1in1 s VAL 854 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1in1 s VAL 854 Cb 0.00 -4.69 0.18 0.00 0.00 0.00 0.00 36.38 31.87 1in1 s VAL 854 CO 0.00 -1.25 0.94 0.00 0.00 0.00 0.00 175.10 174.79 1in1 s ARG 855 N 4.79 3.63 -0.10 2.72 1.70 -1.26 -3.50 118.95 126.93 1in1 s ARG 855 Ca 0.44 -2.19 -0.03 0.00 -0.47 0.00 0.00 55.73 53.47 1in1 s ARG 855 Cb -0.08 -4.65 -0.03 0.00 -0.57 0.00 0.00 34.95 29.62 1in1 s ARG 855 CO 0.27 -1.50 0.02 -0.48 -1.08 0.00 0.00 175.30 172.53 1in1 s LEU 856 N 1.20 3.68 -0.77 -1.89 0.05 -1.06 2.07 118.68 121.97 1in1 s LEU 856 Ca 0.25 0.16 -0.26 0.00 0.05 0.00 0.00 54.13 54.33 1in1 s LEU 856 Cb -0.08 -1.86 0.03 0.00 -2.05 0.00 0.00 46.19 42.24 1in1 s LEU 856 CO -0.09 0.35 1.28 -0.47 -0.55 0.00 0.00 176.35 176.87 1in1 s TYR 857 N -0.72 2.33 -0.38 3.48 5.04 1.04 -4.28 117.35 123.86 1in1 s TYR 857 Ca 0.12 -0.16 -0.29 0.00 -2.44 0.00 0.00 57.07 54.30 1in1 s TYR 857 Cb -0.12 -4.62 0.01 0.00 0.35 0.00 0.00 41.96 37.58 1in1 s TYR 857 CO 0.02 -2.04 1.33 -1.17 -1.34 0.00 0.00 175.55 172.35 1in1 s LEU 858 N 5.57 3.70 0.44 6.97 2.96 -1.26 -0.20 118.68 136.86 1in1 s LEU 858 Ca 0.35 0.92 -0.23 0.00 -0.22 0.00 0.00 54.13 54.95 1in1 s LEU 858 Cb -0.08 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.99 1in1 s LEU 858 CO 0.12 -1.28 1.11 -2.16 -1.32 0.00 0.00 176.35 172.82 1in1 s PRO 859 N 4.58 3.91 0.45 0.98 0.04 -1.26 -4.92 135.00 138.78 1in1 s PRO 859 Ca 0.58 1.62 0.25 0.00 0.04 0.00 0.00 61.00 63.49 1in1 s PRO 859 Cb -0.14 -2.42 0.91 0.00 0.04 0.00 0.00 34.50 32.90 1in1 s PRO 859 CO 0.29 -0.39 1.82 -1.00 0.04 0.00 0.00 177.00 177.76 1in1 h PRO 860 N 2.15 0.00 0.00 0.56 0.13 -1.99 -2.46 132.00 130.39 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 0.18 -0.01 0.43 -0.23 0.00 0.00 178.00 178.98 1in1 n SER 861 N -3.30 0.62 -4.77 1.44 7.64 -1.26 -4.84 113.62 109.15 1in1 n SER 861 Ca 0.01 0.55 -0.40 0.00 1.01 0.00 0.00 58.87 60.04 1in1 n SER 861 Cb 0.43 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.08 2.70 0.38 0.44 2.01 -0.93 -4.98 115.64 112.19 1in1 s THR 862 Ca 0.11 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.50 1in1 s THR 862 Cb 0.14 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 1in1 s THR 862 CO 0.58 0.10 1.12 -2.16 -0.69 0.00 0.00 174.62 173.58 1in1 s PRO 863 N -2.15 4.16 -0.47 4.92 0.04 -1.26 -2.75 135.00 137.48 1in1 s PRO 863 Ca 0.55 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1in1 s PRO 863 Cb -0.37 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1in1 s PRO 863 CO 0.48 -0.20 0.00 -0.25 0.04 0.00 0.00 177.00 177.08 1in1 n ASP 864 N 0.17 -4.59 -0.30 6.66 8.00 -1.26 -4.87 116.55 120.36 1in1 n ASP 864 Ca 0.04 0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.76 1in1 n ASP 864 Cb 0.47 -2.48 0.24 0.00 -0.02 0.00 0.00 41.12 39.33 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 0.08 0.00 1.24 3.57 -1.85 -0.73 116.94 119.25 1in1 h PHE 865 Ca -0.09 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1in1 h PHE 865 Cb 0.64 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1in1 h PHE 865 CO 0.35 -0.30 0.00 0.43 -2.23 0.00 0.00 178.31 176.56 1in1 n SER 866 N -5.36 0.00 -0.27 0.41 7.64 -1.26 -0.54 113.62 114.24 1in1 n SER 866 Ca 0.19 0.03 -0.05 0.00 1.01 0.00 0.00 58.87 60.05 1in1 n SER 866 Cb 0.64 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.93 1in1 n SER 866 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1in1 h ARG 867 N 0.00 1.14 -0.62 1.43 3.08 -1.96 -3.03 114.38 114.42 1in1 h ARG 867 Ca 0.00 -0.20 0.11 0.00 0.07 0.00 0.00 59.98 59.95 1in1 h ARG 867 Cb 0.00 -0.19 -0.11 0.00 0.08 0.00 0.00 29.97 29.76 1in1 h ARG 867 CO 0.00 0.92 -0.21 1.28 -1.07 0.00 0.00 179.97 180.89 1in1 n LEU 868 N -4.28 -0.34 0.00 3.04 4.77 0.24 0.23 117.00 120.66 1in1 n LEU 868 Ca 0.07 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1in1 n LEU 868 Cb 0.18 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1in1 n LEU 868 CO 0.40 -0.99 0.03 -1.14 -1.33 0.00 0.00 177.39 174.36 1in1 n ARG 869 N -4.95 0.00 -0.32 3.23 3.00 0.29 -1.19 116.66 116.73 1in1 n ARG 869 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.90 1in1 n ARG 869 Cb 0.27 -0.51 0.02 0.00 0.00 0.00 0.00 32.46 32.23 1in1 n ARG 869 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1in1 n ARG 870 N -0.07 -0.22 -0.20 -0.14 3.00 -1.00 -0.02 116.66 118.02 1in1 n ARG 870 Ca 0.00 1.24 -0.08 0.00 -0.01 0.00 0.00 57.85 59.00 1in1 n ARG 870 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 32.46 30.55 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 -1.24 0.00 -1.55 3.20 0.28 1.29 116.97 118.95 1in1 h TYR 871 Ca 0.26 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1in1 h TYR 871 Cb 0.46 0.61 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1in1 h TYR 871 CO -0.73 -0.29 0.00 0.34 -1.64 0.00 0.00 178.16 175.84 1in1 n PHE 872 N -4.54 0.00 -0.33 -3.82 -0.00 0.97 -0.52 117.46 109.22 1in1 n PHE 872 Ca -0.00 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.71 1in1 n PHE 872 Cb 0.20 0.00 0.43 0.00 -0.00 0.00 0.00 39.48 40.11 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 0.29 118.33 118.66 1in1 n VAL 873 Ca 0.00 0.98 -0.14 0.00 -2.96 0.00 0.00 64.34 62.22 1in1 n VAL 873 Cb 0.00 -1.62 -0.08 0.00 -1.06 0.00 0.00 33.84 31.08 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 0.79 -0.35 -0.95 1.55 0.00 0.25 -2.63 119.26 117.92 1in1 h ALA 874 Ca 0.53 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.59 1in1 h ALA 874 Cb 1.88 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.63 1in1 h ALA 874 CO -0.17 -0.69 -0.08 0.74 0.00 0.00 0.00 179.25 179.04 1in1 h PHE 875 N -0.35 -0.24 0.00 0.00 -1.00 0.70 -3.43 116.94 112.62 1in1 h PHE 875 Ca -0.04 0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1in1 h PHE 875 Cb 0.27 0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1in1 h PHE 875 CO -0.06 -0.40 0.00 -0.25 -1.61 0.00 0.00 178.31 175.99 1in1 n ASP 876 N -5.52 0.00 -0.18 2.17 8.00 -1.00 -4.87 116.55 115.15 1in1 n ASP 876 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1in1 n ASP 876 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.67 3.43 0.44 0.00 -1.20 -3.76 105.19 105.77 1in1 n GLY 877 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.54 -0.07 1.61 1.11 -1.23 -4.66 116.67 111.89 1in1 s ASP 878 Ca 0.00 0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.91 1in1 s ASP 878 Cb 0.00 0.55 0.02 0.00 1.07 0.00 0.00 42.92 44.57 1in1 s ASP 878 CO 0.00 -0.83 -0.05 -0.76 1.18 0.00 0.00 175.17 174.72 1in1 s LEU 879 N -2.23 1.10 -0.07 1.23 1.43 -1.26 -2.55 118.68 116.33 1in1 s LEU 879 Ca -0.03 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1in1 s LEU 879 Cb -0.01 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1in1 s LEU 879 CO -0.05 -0.10 -0.03 0.68 0.23 0.00 0.00 176.35 177.08 1in1 s VAL 880 N 1.39 4.03 0.16 -1.59 -7.23 -1.26 -4.98 120.40 110.91 1in1 s VAL 880 Ca -0.03 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1in1 s VAL 880 Cb -0.13 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1in1 s VAL 880 CO -0.03 0.57 1.29 -1.10 -0.31 0.00 0.00 175.10 175.52 1in1 s GLN 881 N -0.94 4.40 0.04 4.82 -0.21 -0.34 -4.45 119.66 122.98 1in1 s GLN 881 Ca 0.14 1.98 -0.07 0.00 0.02 0.00 0.00 55.36 57.42 1in1 s GLN 881 Cb -0.11 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.64 1in1 s GLN 881 CO 0.03 -0.26 0.50 -1.91 -2.12 0.00 0.00 175.29 171.53 1in1 n GLU 882 N 3.07 -0.10 0.00 2.91 2.13 -1.26 0.82 120.64 128.22 1in1 n GLU 882 Ca 0.07 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1in1 n GLU 882 Cb 0.44 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 31.42 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 -3.61 0.00 -3.30 4.31 -1.74 -1.26 -4.11 117.46 107.75 1in1 n PHE 883 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 1in1 n PHE 883 Cb 0.06 -0.04 -0.06 0.00 1.52 0.00 0.00 39.48 40.96 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 -0.75 0.28 0.42 5.98 1.01 4.53 -5.00 116.67 123.14 1in1 s ASP 884 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.59 1in1 s ASP 884 Cb 0.00 1.11 0.00 0.00 1.01 0.00 0.00 42.92 45.04 1in1 s ASP 884 CO 0.00 -0.31 0.00 1.15 0.21 0.00 0.00 175.17 176.22 1in1 n MET 885 N 5.01 0.00 0.00 8.23 0.00 -1.24 -1.20 117.12 127.93 1in1 n MET 885 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1in1 n MET 885 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 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 -3.40 0.00 0.80 3.17 -2.24 -1.25 0.68 114.28 112.04 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 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.00 0.73 -3.96 3.42 7.64 -1.26 -4.82 113.62 115.37 1in1 n SER 887 Ca 0.00 -0.61 -0.31 0.00 1.01 0.00 0.00 58.87 58.96 1in1 n SER 887 Cb 0.00 0.96 0.03 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.65 -3.61 0.00 -0.43 0.00 3.18 -4.97 120.51 113.03 1in1 n ALA 888 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1in1 n ALA 888 Cb 0.38 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.48 0.00 -4.37 0.00 5.66 -0.79 -4.45 114.28 106.85 1in1 n THR 889 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1in1 n THR 889 Cb 0.60 -0.51 -0.10 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.81 1.82 -0.16 1.09 3.76 33.45 -1.15 115.29 152.28 1in1 s HIS 890 Ca 0.00 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.32 1in1 s HIS 890 Cb 0.00 -0.84 0.07 0.00 1.11 0.00 0.00 32.58 32.92 1in1 s HIS 890 CO 0.00 0.42 0.37 0.14 -0.85 0.00 0.00 174.74 174.82 1in1 s VAL 891 N -2.79 -0.24 -0.15 -0.90 -7.23 0.62 0.34 120.40 110.05 1in1 s VAL 891 Ca 0.23 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.25 1in1 s VAL 891 Cb -0.02 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1in1 s VAL 891 CO 0.08 0.06 1.09 -0.22 -0.31 0.00 0.00 175.10 175.80 1in1 s LEU 892 N 1.84 4.19 -0.01 1.32 0.20 0.72 -1.51 118.68 125.43 1in1 s LEU 892 Ca -0.06 1.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.30 1in1 s LEU 892 Cb -0.10 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.12 1in1 s LEU 892 CO -0.12 -0.59 0.03 0.61 -0.29 0.00 0.00 176.35 175.99 1in1 n GLY 893 N 3.29 -2.65 0.00 7.98 0.00 0.11 -4.60 105.19 109.32 1in1 n GLY 893 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 1.99 0.00 0.00 1.61 7.64 -1.26 -5.00 113.62 118.60 1in1 n SER 894 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1in1 n SER 894 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.57 0.00 0.00 1.43 1.85 -1.26 -4.42 116.66 113.68 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 -0.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.97 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 -0.65 0.00 -0.26 2.89 2.03 -1.26 0.70 116.55 120.00 1in1 n ASP 896 Ca 0.00 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.53 1in1 n ASP 896 Cb 0.00 0.00 0.38 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.36 -0.02 -3.25 -0.67 -0.00 -1.26 -2.97 118.16 109.63 1in1 n LYS 897 Ca 0.00 0.70 -0.05 0.00 -0.00 0.00 0.00 58.31 58.96 1in1 n LYS 897 Cb 0.00 -1.38 -0.04 0.00 -0.00 0.00 0.00 35.03 33.62 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 -4.42 -0.41 0.18 -5.58 3.84 3.37 -3.83 114.94 108.08 1in1 s ASN 898 Ca -0.04 -0.51 0.23 0.00 0.21 0.00 0.00 52.86 52.74 1in1 s ASN 898 Cb 0.17 1.44 0.90 0.00 -0.55 0.00 0.00 41.25 43.21 1in1 s ASN 898 CO 0.46 -0.29 1.69 -0.81 -2.79 0.00 0.00 177.10 175.36 1in1 n PRO 899 N 5.00 0.16 -0.03 0.43 -0.04 -1.01 -1.97 135.00 137.53 1in1 n PRO 899 Ca 0.06 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1in1 n PRO 899 Cb 0.51 -1.76 0.49 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.70 2.56 -1.78 0.55 0.00 -1.26 -4.86 120.51 114.02 1in1 n ALA 900 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1in1 n ALA 900 Cb 0.26 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.14 0.00 -3.33 0.00 0.00 -0.83 -4.63 120.51 111.86 1in1 n ALA 901 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1in1 n ALA 901 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 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 2.61 2.10 -1.41 0.00 -1.52 -0.30 -4.76 119.66 116.38 1in1 s GLN 902 Ca 0.00 -0.57 -0.09 0.00 -1.95 0.00 0.00 55.36 52.75 1in1 s GLN 902 Cb 0.00 -1.68 0.07 0.00 -0.22 0.00 0.00 33.01 31.19 1in1 s GLN 902 CO 0.00 0.09 2.32 1.04 -0.25 0.00 0.00 175.29 178.50 1in1 n GLN 903 N 3.66 3.74 -2.13 2.91 6.02 -1.22 0.23 117.38 130.58 1in1 n GLN 903 Ca -0.21 -3.03 -0.27 0.00 -0.01 0.00 0.00 57.00 53.48 1in1 n GLN 903 Cb 0.52 -2.90 0.14 0.00 1.02 0.00 0.00 30.24 29.02 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 0.96 2.08 0.06 5.09 -7.23 -0.57 -3.55 120.40 117.23 1in1 s VAL 904 Ca 0.52 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1in1 s VAL 904 Cb 0.15 -2.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1in1 s VAL 904 CO -0.06 0.00 0.02 -1.54 -0.31 0.00 0.00 175.10 173.21 1in1 n SER 905 N -3.34 1.12 0.14 4.85 3.41 -0.46 0.06 113.62 119.39 1in1 n SER 905 Ca 0.13 -1.29 -0.01 0.00 -0.26 0.00 0.00 58.87 57.44 1in1 n SER 905 Cb 0.60 0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.85 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 0.00 4.33 0.13 -1.98 -2.89 132.00 131.60 1in1 h PRO 906 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1in1 h PRO 906 Cb 0.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1in1 h PRO 906 CO 0.07 0.62 -0.45 1.49 -0.23 0.00 0.00 178.00 179.50 1in1 h GLU 907 N 0.00 0.00 0.38 0.86 4.22 -1.96 -3.10 114.58 114.98 1in1 h GLU 907 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 1in1 h GLU 907 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1in1 h GLU 907 CO 0.08 0.45 -0.18 2.35 -2.18 0.00 0.00 179.01 179.53 1in1 h TRP 908 N 0.00 -0.48 -0.58 0.92 7.01 -1.85 -0.90 115.95 120.07 1in1 h TRP 908 Ca -0.00 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.08 1in1 h TRP 908 Cb 0.86 0.16 -0.11 0.00 -2.10 0.00 0.00 29.16 27.96 1in1 h TRP 908 CO 0.00 -0.16 -0.37 0.82 -2.79 0.00 0.00 178.44 175.94 1in1 h ILE 909 N -0.81 0.14 0.54 2.65 2.04 -1.54 1.59 117.51 122.12 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 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1in1 h ILE 909 CO 0.09 0.00 -0.41 -0.50 0.00 0.00 0.00 178.15 177.33 1in1 h TRP 910 N -0.19 -1.11 -0.87 1.37 -0.00 -1.54 0.39 115.95 114.01 1in1 h TRP 910 Ca 0.21 -0.00 0.22 0.00 -0.00 0.00 0.00 58.89 59.32 1in1 h TRP 910 Cb 0.56 0.41 -0.05 0.00 -0.00 0.00 0.00 29.16 30.08 1in1 h TRP 910 CO -0.66 -0.58 0.60 0.00 -0.00 0.00 0.00 178.44 177.80 1in1 h ALA 911 N -1.20 2.45 -2.43 1.49 0.00 -0.39 0.62 119.26 119.80 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 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1in1 h ALA 911 CO 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.55 1in1 h ILE 913 N 0.00 0.21 0.00 0.00 2.10 -0.13 3.81 117.51 123.50 1in1 h ILE 913 Ca 0.00 -0.08 -0.02 0.00 1.08 0.00 0.00 64.86 65.84 1in1 h ILE 913 Cb 0.00 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 35.70 1in1 h ILE 913 CO 0.00 0.04 -0.09 -0.09 -1.08 0.00 0.00 178.15 176.93 1in1 h ARG 914 N 0.23 0.00 0.00 2.19 2.43 0.15 -2.12 114.38 117.26 1in1 h ARG 914 Ca 0.76 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1in1 h ARG 914 Cb 1.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1in1 h ARG 914 CO -0.66 0.09 -1.28 1.63 -1.51 0.00 0.00 179.97 178.24 1in1 n LYS 915 N -3.30 0.20 -0.40 0.20 4.76 1.19 -4.94 118.16 115.86 1in1 n LYS 915 Ca -0.01 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1in1 n LYS 915 Cb 0.30 -1.51 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 -2.13 -1.37 0.00 0.00 177.40 173.90 1in1 n ARG 916 N -1.74 0.00 -3.68 1.97 0.00 0.29 -4.89 116.66 108.61 1in1 n ARG 916 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.63 1in1 n ARG 916 Cb 0.40 -3.37 -0.17 0.00 0.00 0.00 0.00 32.46 29.32 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 -0.34 0.21 -0.23 -0.14 3.03 -1.22 -3.86 118.95 116.40 1in1 s ARG 917 Ca 0.00 0.03 -0.31 0.00 2.03 0.00 0.00 55.73 57.48 1in1 s ARG 917 Cb 0.00 -1.34 -0.14 0.00 -1.03 0.00 0.00 34.95 32.44 1in1 s ARG 917 CO 0.00 -0.50 1.00 1.28 -1.13 0.00 0.00 175.30 175.95 1in1 n LEU 918 N 5.22 0.56 0.00 -1.89 7.99 -1.17 -4.74 117.00 122.98 1in1 n LEU 918 Ca -0.06 0.83 0.00 0.00 -0.01 0.00 0.00 56.01 56.77 1in1 n LEU 918 Cb 0.49 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 1in1 n LEU 918 CO 0.09 -0.85 0.00 1.33 -1.51 0.00 0.00 177.39 176.46 1in1 n VAL 919 N 2.22 0.00 -2.00 4.08 0.24 -1.26 -5.00 118.33 116.61 1in1 n VAL 919 Ca 0.19 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 1in1 n VAL 919 Cb -0.01 -1.17 -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 -2.34 3.11 0.07 2.33 0.00 -1.26 -4.95 121.76 118.72 1in1 s ALA 920 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 1in1 s ALA 920 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1in1 s ALA 920 CO 0.00 -2.23 1.27 -1.25 0.00 0.00 0.00 175.76 173.55 1in1 s PRO 921 N 5.14 4.38 0.00 0.00 0.04 -1.26 -4.89 135.00 138.42 1in1 s PRO 921 Ca 0.78 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1in1 s PRO 921 Cb -0.26 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1in1 s PRO 921 CO 0.32 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 177.02