#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 -0.12 1.61 7.64 -1.26 -4.81 113.62 116.68 1in1 n SER 836 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1in1 n SER 836 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.00 -0.67 -0.01 -0.43 0.00 -1.97 1.57 119.26 117.74 1in1 h ALA 837 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1in1 h ALA 837 Cb 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1in1 h ALA 837 CO 0.00 -0.99 0.41 0.38 0.00 0.00 0.00 179.25 179.05 1in1 h ASP 838 N -0.39 0.00 -0.00 0.00 2.03 -1.92 1.74 116.42 117.88 1in1 h ASP 838 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1in1 h ASP 838 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1in1 h ASP 838 CO -0.58 0.00 -0.82 -0.62 -1.03 0.00 0.00 179.24 176.20 1in1 n GLU 839 N -2.87 1.22 0.00 4.15 -0.58 0.42 -4.07 120.64 118.92 1in1 n GLU 839 Ca -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1in1 n GLU 839 Cb 0.46 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1in1 n GLU 839 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1in1 n THR 840 N -1.38 0.00 0.32 2.62 -1.04 0.52 -4.69 114.28 110.64 1in1 n THR 840 Ca 0.03 0.04 0.03 0.00 -2.04 0.00 0.00 64.05 62.11 1in1 n THR 840 Cb 0.28 -0.83 0.16 0.00 -1.82 0.00 0.00 70.33 68.11 1in1 n THR 840 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1in1 n LEU 841 N -1.82 0.00 0.15 -4.42 -0.00 0.25 -2.56 117.00 108.61 1in1 n LEU 841 Ca 0.00 0.11 0.09 0.00 -0.00 0.00 0.00 56.01 56.20 1in1 n LEU 841 Cb 0.00 -0.11 0.47 0.00 -0.00 0.00 0.00 43.42 43.78 1in1 n LEU 841 CO 0.00 -0.09 0.80 0.00 -0.00 0.00 0.00 177.39 178.10 1in1 n GLN 843 N -2.13 4.33 0.00 0.00 1.13 -1.06 -4.86 117.38 114.79 1in1 n GLN 843 Ca -0.01 -3.35 0.00 0.00 -1.94 0.00 0.00 57.00 51.70 1in1 n GLN 843 Cb 0.14 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 27.93 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 1.55 0.00 -0.35 5.09 5.66 -1.11 -0.70 114.28 124.41 1in1 n THR 844 Ca 0.60 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.60 1in1 n THR 844 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 1.00 0.00 1.09 4.76 -1.25 -5.01 118.16 118.75 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 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 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 0.00 0.00 -0.18 0.24 0.12 -4.59 118.33 113.92 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 -0.70 1.34 7.99 -1.26 -4.89 117.00 119.48 1in1 n LEU 847 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.09 1in1 n LEU 847 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 1in1 n LEU 847 CO 0.00 0.00 -0.24 0.18 -1.51 0.00 0.00 177.39 175.82 1in1 n LEU 848 N 0.00 -0.44 -3.38 2.23 4.77 -1.26 -4.26 117.00 114.66 1in1 n LEU 848 Ca 0.00 1.02 -0.39 0.00 -0.03 0.00 0.00 56.01 56.60 1in1 n LEU 848 Cb 0.00 -2.09 -0.02 0.00 -2.33 0.00 0.00 43.42 38.98 1in1 n LEU 848 CO 0.00 -1.37 3.10 0.47 -1.33 0.00 0.00 177.39 178.26 1in1 n ASP 849 N -3.33 8.36 0.00 -1.43 9.92 -1.26 -4.68 116.55 124.12 1in1 n ASP 849 Ca -0.03 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 1in1 n ASP 849 Cb 0.33 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 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 3.13 0.00 0.00 0.53 2.08 -1.26 -3.42 119.36 120.42 1in1 n ILE 850 Ca 0.73 0.00 0.00 0.00 0.56 0.00 0.00 62.75 64.04 1in1 n ILE 850 Cb 0.24 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 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 -1.41 1.39 3.72 -1.26 -2.42 117.46 117.47 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 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.32 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 1.03 0.01 -0.98 4.37 5.66 -1.26 0.46 114.28 123.58 1in1 n THR 852 Ca 0.00 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1in1 n THR 852 Cb 0.00 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 6.80 0.38 3.50 1.09 0.00 -1.26 -4.91 105.19 110.79 1in1 n GLY 853 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.84 4.47 -0.96 1.61 1.01 1.64 -4.90 120.40 121.43 1in1 s VAL 854 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1in1 s VAL 854 Cb 0.00 -4.52 0.18 0.00 0.00 0.00 0.00 36.38 32.05 1in1 s VAL 854 CO 0.00 -1.11 1.06 0.00 0.00 0.00 0.00 175.10 175.05 1in1 s ARG 855 N 3.71 3.75 -0.13 2.72 1.70 -1.26 -3.80 118.95 125.63 1in1 s ARG 855 Ca 0.26 -2.28 -0.07 0.00 -0.47 0.00 0.00 55.73 53.17 1in1 s ARG 855 Cb -0.15 -4.74 -0.04 0.00 -0.57 0.00 0.00 34.95 29.45 1in1 s ARG 855 CO 0.16 -1.56 0.11 -0.48 -1.08 0.00 0.00 175.30 172.45 1in1 s LEU 856 N 1.25 4.17 -0.65 -1.89 0.05 -1.14 2.31 118.68 122.79 1in1 s LEU 856 Ca 0.29 0.34 -0.27 0.00 0.05 0.00 0.00 54.13 54.54 1in1 s LEU 856 Cb -0.07 -2.02 0.01 0.00 -2.05 0.00 0.00 46.19 42.06 1in1 s LEU 856 CO -0.08 0.34 1.45 -0.47 -0.55 0.00 0.00 176.35 177.04 1in1 s TYR 857 N -0.63 2.16 -0.41 3.48 5.04 1.59 -4.31 117.35 124.28 1in1 s TYR 857 Ca 0.12 0.32 -0.26 0.00 -2.44 0.00 0.00 57.07 54.81 1in1 s TYR 857 Cb -0.12 -4.43 0.02 0.00 0.35 0.00 0.00 41.96 37.78 1in1 s TYR 857 CO 0.02 -2.08 0.94 -1.17 -1.34 0.00 0.00 175.55 171.93 1in1 s LEU 858 N 6.53 3.97 0.41 6.97 2.96 -1.26 0.31 118.68 138.57 1in1 s LEU 858 Ca 0.48 0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 54.55 1in1 s LEU 858 Cb -0.10 -3.26 -0.08 0.00 0.50 0.00 0.00 46.19 43.25 1in1 s LEU 858 CO 0.20 -0.96 1.12 -2.16 -1.32 0.00 0.00 176.35 173.23 1in1 s PRO 859 N 3.66 4.04 0.50 0.98 0.04 -1.26 -4.87 135.00 138.08 1in1 s PRO 859 Ca 0.38 1.69 0.29 0.00 0.04 0.00 0.00 61.00 63.40 1in1 s PRO 859 Cb -0.11 -2.57 1.05 0.00 0.04 0.00 0.00 34.50 32.91 1in1 s PRO 859 CO 0.23 -0.29 1.87 -1.00 0.04 0.00 0.00 177.00 177.84 1in1 h PRO 860 N 2.46 0.00 0.00 0.56 0.13 -1.99 -2.45 132.00 130.71 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 0.08 -0.05 0.77 -0.23 0.00 0.00 178.00 179.18 1in1 h SER 861 N 0.00 0.00 -3.90 1.44 0.02 -2.02 -3.46 113.55 105.64 1in1 h SER 861 Ca -0.00 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.41 1in1 h SER 861 Cb 0.68 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.29 1in1 h SER 861 CO 0.01 0.01 0.63 -0.89 -1.14 0.00 0.00 176.83 175.45 1in1 s THR 862 N -3.11 2.70 0.37 -2.27 2.01 -0.93 -4.98 115.64 109.43 1in1 s THR 862 Ca 0.10 0.69 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 1in1 s THR 862 Cb 0.12 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1in1 s THR 862 CO 0.61 0.15 1.13 -2.16 -0.69 0.00 0.00 174.62 173.66 1in1 s PRO 863 N -1.89 4.23 -0.21 4.92 0.04 -1.26 -2.80 135.00 138.02 1in1 s PRO 863 Ca 0.51 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1in1 s PRO 863 Cb -0.39 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1in1 s PRO 863 CO 0.52 -0.15 0.00 -0.25 0.04 0.00 0.00 177.00 177.16 1in1 n ASP 864 N 0.33 -3.94 -0.22 6.66 8.00 -1.26 -4.90 116.55 121.22 1in1 n ASP 864 Ca 0.03 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.57 1in1 n ASP 864 Cb 0.47 -1.62 0.06 0.00 -0.02 0.00 0.00 41.12 40.01 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 -0.40 -0.08 1.24 3.57 -1.86 0.32 116.94 119.73 1in1 h PHE 865 Ca -0.04 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1in1 h PHE 865 Cb 0.36 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1in1 h PHE 865 CO 0.20 -0.29 -0.05 -1.13 -2.23 0.00 0.00 178.31 174.81 1in1 n SER 866 N -5.44 -0.09 0.01 0.41 3.41 -1.26 0.00 113.62 110.66 1in1 n SER 866 Ca 0.08 0.45 -0.18 0.00 -0.26 0.00 0.00 58.87 58.96 1in1 n SER 866 Cb 0.34 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 1in1 n SER 866 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1in1 h ARG 867 N 0.00 0.29 -0.69 4.33 -0.00 -1.84 -3.27 114.38 113.20 1in1 h ARG 867 Ca 0.01 -0.37 0.15 0.00 -0.50 0.00 0.00 59.98 59.27 1in1 h ARG 867 Cb 0.03 0.12 -0.13 0.00 0.00 0.00 0.00 29.97 29.99 1in1 h ARG 867 CO -0.08 1.10 -0.13 1.28 0.00 0.00 0.00 179.97 182.15 1in1 n LEU 868 N -4.28 -0.21 0.00 3.04 4.77 0.11 0.20 117.00 120.63 1in1 n LEU 868 Ca -0.11 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 1in1 n LEU 868 Cb 0.67 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1in1 n LEU 868 CO 0.45 -1.15 0.06 -1.14 -1.33 0.00 0.00 177.39 174.27 1in1 n ARG 869 N -5.08 0.00 -0.33 3.23 0.63 0.10 -1.77 116.66 113.44 1in1 n ARG 869 Ca 0.12 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.00 1in1 n ARG 869 Cb 0.39 -0.50 -0.03 0.00 0.45 0.00 0.00 32.46 32.77 1in1 n ARG 869 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1in1 n ARG 870 N -0.24 -0.29 0.00 -0.14 3.00 -1.00 -1.07 116.66 116.92 1in1 n ARG 870 Ca 0.00 1.23 0.00 0.00 -0.01 0.00 0.00 57.85 59.07 1in1 n ARG 870 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 30.64 1in1 n ARG 870 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1in1 n TYR 871 N -5.09 0.00 0.00 -1.55 9.36 0.55 0.76 117.16 121.19 1in1 n TYR 871 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1in1 n TYR 871 Cb 0.26 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 1in1 n TYR 871 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1in1 n PHE 872 N -2.43 0.00 -0.11 2.98 -0.00 -0.24 -0.07 117.46 117.59 1in1 n PHE 872 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1in1 n PHE 872 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 39.69 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 -0.15 -0.10 -2.13 3.14 -0.93 0.47 118.33 118.64 1in1 n VAL 873 Ca 0.00 0.72 -0.07 0.00 -2.96 0.00 0.00 64.34 62.03 1in1 n VAL 873 Cb 0.00 -1.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.61 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 0.71 0.41 -0.96 1.55 0.00 0.22 -2.14 119.26 119.05 1in1 h ALA 874 Ca 0.30 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.49 1in1 h ALA 874 Cb 0.79 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 1in1 h ALA 874 CO -0.28 -0.21 0.08 0.74 0.00 0.00 0.00 179.25 179.58 1in1 h PHE 875 N 0.34 0.05 0.00 0.00 -1.00 1.42 -3.43 116.94 114.32 1in1 h PHE 875 Ca 0.14 0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1in1 h PHE 875 Cb 0.06 0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1in1 h PHE 875 CO -0.10 -0.40 0.00 -0.25 -1.61 0.00 0.00 178.31 175.95 1in1 n ASP 876 N -5.44 0.00 -0.12 2.17 8.00 -0.82 -4.83 116.55 115.51 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 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.78 3.41 0.44 0.00 -1.13 -3.99 105.19 105.70 1in1 n GLY 877 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.09 1.61 1.11 -1.25 -4.70 116.67 111.86 1in1 s ASP 878 Ca 0.00 0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.82 1in1 s ASP 878 Cb 0.00 0.54 0.02 0.00 1.07 0.00 0.00 42.92 44.55 1in1 s ASP 878 CO 0.00 -0.83 -0.07 -0.76 1.18 0.00 0.00 175.17 174.69 1in1 s LEU 879 N -2.34 1.18 -0.09 1.23 1.43 -1.26 -2.90 118.68 115.93 1in1 s LEU 879 Ca -0.02 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1in1 s LEU 879 Cb -0.00 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1in1 s LEU 879 CO -0.07 -0.10 0.06 -0.69 0.23 0.00 0.00 176.35 175.78 1in1 s VAL 880 N 1.51 4.77 0.19 -1.59 1.01 -1.26 -4.97 120.40 120.06 1in1 s VAL 880 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1in1 s VAL 880 Cb -0.13 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1in1 s VAL 880 CO -0.05 0.59 1.42 -1.10 0.00 0.00 0.00 175.10 175.96 1in1 s GLN 881 N -1.00 4.30 0.00 2.72 -0.21 -0.69 -4.36 119.66 120.42 1in1 s GLN 881 Ca 0.15 2.20 0.00 0.00 0.02 0.00 0.00 55.36 57.73 1in1 s GLN 881 Cb -0.12 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.73 1in1 s GLN 881 CO 0.04 -0.41 0.31 -1.91 -2.12 0.00 0.00 175.29 171.19 1in1 n GLU 882 N 3.03 0.00 0.00 2.91 2.13 -1.26 0.80 120.64 128.25 1in1 n GLU 882 Ca 0.09 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1in1 n GLU 882 Cb 0.41 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 31.65 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 -2.08 0.00 -3.41 4.31 -1.74 -1.26 -3.85 117.46 109.42 1in1 n PHE 883 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.68 1in1 n PHE 883 Cb 0.00 -0.01 -0.10 0.00 1.52 0.00 0.00 39.48 40.89 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 -1.43 1.96 0.00 5.98 1.01 4.35 -4.93 116.67 123.62 1in1 s ASP 884 Ca 0.00 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 51.90 1in1 s ASP 884 Cb 0.00 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.19 1in1 s ASP 884 CO 0.00 -0.34 0.00 1.15 0.21 0.00 0.00 175.17 176.19 1in1 n MET 885 N 4.71 0.00 0.00 8.23 0.00 -1.24 -1.71 117.12 127.11 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 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 33.22 33.39 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 -1.04 0.00 0.64 3.17 -2.24 -1.26 1.40 114.28 114.95 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 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.65 0.63 -3.69 3.42 7.64 -1.26 -4.92 113.62 113.78 1in1 n SER 887 Ca 0.00 -0.45 -0.14 0.00 1.01 0.00 0.00 58.87 59.29 1in1 n SER 887 Cb 0.00 1.05 0.09 0.00 -1.01 0.00 0.00 64.21 64.34 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 -1.77 0.69 0.00 -0.43 0.00 13.59 -4.99 120.51 127.60 1in1 n ALA 888 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1in1 n ALA 888 Cb 0.42 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -3.86 0.00 -4.37 0.00 5.66 -1.00 -4.66 114.28 106.05 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 0.27 -0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 68.50 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 -1.67 1.80 -0.13 1.09 3.76 43.61 -1.85 115.29 161.90 1in1 s HIS 890 Ca 0.00 -0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1in1 s HIS 890 Cb 0.00 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.87 1in1 s HIS 890 CO 0.00 0.36 0.31 0.14 -0.85 0.00 0.00 174.74 174.70 1in1 s VAL 891 N -2.95 -0.10 -0.22 -0.90 -7.23 0.69 0.45 120.40 110.14 1in1 s VAL 891 Ca 0.25 0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 1in1 s VAL 891 Cb -0.00 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.47 1in1 s VAL 891 CO 0.09 0.06 0.95 -0.22 -0.31 0.00 0.00 175.10 175.66 1in1 s LEU 892 N 1.48 4.11 0.11 1.32 2.96 0.92 -1.55 118.68 128.03 1in1 s LEU 892 Ca -0.08 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1in1 s LEU 892 Cb -0.10 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1in1 s LEU 892 CO -0.10 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 1in1 n GLY 893 N 3.47 -4.89 0.31 7.98 0.00 0.69 -4.53 105.19 108.22 1in1 n GLY 893 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 1.91 -1.86 0.00 1.61 7.64 -1.26 -4.98 113.62 116.67 1in1 n SER 894 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1in1 n SER 894 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 -2.85 0.00 0.00 1.43 1.85 -1.26 -4.46 116.66 111.36 1in1 n ARG 895 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1in1 n ARG 895 Cb 0.15 -0.42 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 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 -0.71 0.00 -0.32 2.89 2.03 -1.26 0.70 116.55 119.88 1in1 n ASP 896 Ca 0.00 0.00 0.26 0.00 0.52 0.00 0.00 54.79 55.57 1in1 n ASP 896 Cb 0.00 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.60 -0.01 -3.16 -0.67 -0.00 -1.26 -3.10 118.16 109.35 1in1 n LYS 897 Ca 0.00 0.68 0.03 0.00 -0.00 0.00 0.00 58.31 59.02 1in1 n LYS 897 Cb 0.00 -1.42 -0.00 0.00 -0.00 0.00 0.00 35.03 33.60 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 -4.23 -1.60 0.12 -5.58 2.47 3.38 -4.27 114.94 105.23 1in1 s ASN 898 Ca -0.04 -0.06 0.21 0.00 0.42 0.00 0.00 52.86 53.39 1in1 s ASN 898 Cb 0.17 2.01 0.85 0.00 -1.45 0.00 0.00 41.25 42.83 1in1 s ASN 898 CO 0.49 -0.26 1.65 -0.81 -3.72 0.00 0.00 177.10 174.44 1in1 n PRO 899 N 5.16 0.10 0.00 0.43 -0.04 -1.06 -1.96 135.00 137.63 1in1 n PRO 899 Ca 0.07 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1in1 n PRO 899 Cb 0.55 -1.67 0.51 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.63 2.85 -1.54 0.55 0.00 -1.26 -4.86 120.51 114.62 1in1 n ALA 900 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1in1 n ALA 900 Cb 0.24 -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 -0.60 0.00 -3.25 0.00 0.00 -0.83 -4.70 120.51 111.14 1in1 n ALA 901 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 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 1.88 1.92 -1.40 0.00 -1.52 -0.77 -4.75 119.66 115.03 1in1 s GLN 902 Ca 0.00 -0.54 -0.08 0.00 -1.95 0.00 0.00 55.36 52.79 1in1 s GLN 902 Cb 0.00 -1.58 0.07 0.00 -0.22 0.00 0.00 33.01 31.28 1in1 s GLN 902 CO 0.00 0.12 2.44 1.04 -0.25 0.00 0.00 175.29 178.64 1in1 n GLN 903 N 3.55 4.15 -2.15 2.91 6.02 -1.21 0.25 117.38 130.90 1in1 n GLN 903 Ca -0.21 -3.13 -0.27 0.00 -0.01 0.00 0.00 57.00 53.38 1in1 n GLN 903 Cb 0.52 -2.75 0.10 0.00 1.02 0.00 0.00 30.24 29.13 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 0.08 2.17 0.00 5.09 -7.23 -0.59 -3.36 120.40 116.56 1in1 s VAL 904 Ca 0.55 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1in1 s VAL 904 Cb 0.17 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1in1 s VAL 904 CO -0.07 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.18 1in1 n SER 905 N -3.12 0.83 0.17 4.85 3.41 -1.26 -0.22 113.62 118.28 1in1 n SER 905 Ca 0.10 -0.74 0.04 0.00 -0.26 0.00 0.00 58.87 58.01 1in1 n SER 905 Cb 0.60 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.02 4.33 0.13 -1.99 -2.88 132.00 131.57 1in1 h PRO 906 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1in1 h PRO 906 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1in1 h PRO 906 CO 0.00 0.44 -0.61 0.93 -0.23 0.00 0.00 178.00 178.53 1in1 h GLU 907 N 0.00 0.07 0.13 0.86 3.07 -1.96 -3.12 114.58 113.64 1in1 h GLU 907 Ca -0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1in1 h GLU 907 Cb 0.96 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1in1 h GLU 907 CO 0.06 0.66 -0.06 2.35 -1.40 0.00 0.00 179.01 180.62 1in1 h TRP 908 N 0.05 -0.17 -0.43 4.33 7.01 -1.86 0.55 115.95 125.44 1in1 h TRP 908 Ca -0.01 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.07 1in1 h TRP 908 Cb 1.10 0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 28.12 1in1 h TRP 908 CO 0.01 0.15 -0.38 0.82 -2.79 0.00 0.00 178.44 176.25 1in1 h ILE 909 N -0.49 0.16 0.63 2.65 2.04 -1.55 1.65 117.51 122.60 1in1 h ILE 909 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1in1 h ILE 909 Cb 0.39 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1in1 h ILE 909 CO 0.03 0.00 -0.30 -0.50 0.00 0.00 0.00 178.15 177.38 1in1 h TRP 910 N -0.28 -0.79 -0.95 1.37 -0.00 -1.54 0.55 115.95 114.32 1in1 h TRP 910 Ca 0.16 -0.02 0.19 0.00 -0.00 0.00 0.00 58.89 59.22 1in1 h TRP 910 Cb 0.56 0.26 -0.08 0.00 -0.00 0.00 0.00 29.16 29.90 1in1 h TRP 910 CO -0.59 -0.48 0.60 0.00 -0.00 0.00 0.00 178.44 177.97 1in1 h ALA 911 N -0.51 1.92 -1.55 1.49 0.00 -0.16 0.76 119.26 121.21 1in1 h ALA 911 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1in1 h ALA 911 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1in1 h ALA 911 CO 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1in1 h ILE 913 N 0.00 0.11 -0.02 0.00 2.10 0.17 3.28 117.51 123.14 1in1 h ILE 913 Ca 0.00 -0.02 -0.17 0.00 1.08 0.00 0.00 64.86 65.75 1in1 h ILE 913 Cb 0.00 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.77 1in1 h ILE 913 CO 0.00 0.01 -0.74 -0.09 -1.08 0.00 0.00 178.15 176.25 1in1 h ARG 914 N 0.05 0.17 -0.06 2.19 9.65 0.47 -2.83 114.38 124.02 1in1 h ARG 914 Ca 0.84 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.56 1in1 h ARG 914 Cb 2.93 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 31.54 1in1 h ARG 914 CO -0.26 0.84 0.00 1.63 2.80 0.00 0.00 179.97 184.98 1in1 n LYS 915 N -3.75 1.72 -0.64 0.20 4.76 1.05 -4.89 118.16 116.62 1in1 n LYS 915 Ca -0.03 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.36 1in1 n LYS 915 Cb 0.71 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 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 0.28 -1.34 -3.67 1.97 5.12 0.11 -4.83 116.66 114.29 1in1 n ARG 916 Ca 0.18 0.26 -0.11 0.00 -1.93 0.00 0.00 57.85 56.25 1in1 n ARG 916 Cb 0.36 -4.18 -0.11 0.00 -1.16 0.00 0.00 32.46 27.36 1in1 n ARG 916 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1in1 s ARG 917 N -1.29 0.26 -0.15 5.56 1.04 -1.20 -4.25 118.95 118.93 1in1 s ARG 917 Ca 0.00 0.83 -0.40 0.00 -1.04 0.00 0.00 55.73 55.13 1in1 s ARG 917 Cb 0.00 0.09 -0.19 0.00 -2.04 0.00 0.00 34.95 32.81 1in1 s ARG 917 CO 0.00 -0.24 1.16 1.28 -0.04 0.00 0.00 175.30 177.46 1in1 n LEU 918 N 5.06 0.35 0.00 -1.89 7.99 -1.02 -4.66 117.00 122.83 1in1 n LEU 918 Ca -0.12 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 1in1 n LEU 918 Cb 0.51 -0.85 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 1in1 n LEU 918 CO 0.04 -1.48 0.00 1.33 -1.51 0.00 0.00 177.39 175.77 1in1 n VAL 919 N 2.15 0.00 -1.95 4.08 0.24 -1.26 -5.02 118.33 116.57 1in1 n VAL 919 Ca 0.22 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.09 1in1 n VAL 919 Cb 0.03 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 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 3.10 0.09 2.33 0.00 -1.26 -4.95 121.76 119.07 1in1 s ALA 920 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 1in1 s ALA 920 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.12 1in1 s ALA 920 CO 0.00 -2.24 1.26 -1.25 0.00 0.00 0.00 175.76 173.53 1in1 s PRO 921 N 5.21 4.40 0.00 0.00 0.04 -1.26 -4.91 135.00 138.48 1in1 s PRO 921 Ca 0.80 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1in1 s PRO 921 Cb -0.27 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1in1 s PRO 921 CO 0.33 -0.31 0.00 0.00 0.04 0.00 0.00 177.00 177.06