#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q n PRO 830 N 0.00 0.10 -3.66 1.61 -0.02 -1.26 -4.93 135.00 126.84 3n1q n PRO 830 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 3n1q n PRO 830 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 3n1q n PRO 830 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3n1q s HIS 831 N -0.39 -0.86 -0.19 6.00 2.46 -1.14 -4.55 115.29 116.62 3n1q s HIS 831 Ca 0.00 1.64 -0.29 0.00 0.47 0.00 0.00 55.06 56.88 3n1q s HIS 831 Cb 0.00 0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 32.83 3n1q s HIS 831 CO 0.00 -0.49 1.41 0.42 -2.47 0.00 0.00 174.74 173.62 3n1q s ILE 832 N 2.34 4.01 0.13 0.89 1.01 -1.26 -1.47 121.20 126.85 3n1q s ILE 832 Ca -0.05 1.18 -0.05 0.00 0.00 0.00 0.00 60.65 61.74 3n1q s ILE 832 Cb -0.11 -3.89 -0.18 0.00 0.01 0.00 0.00 42.46 38.30 3n1q s ILE 832 CO -0.14 -0.24 1.31 0.00 0.00 0.00 0.00 174.94 175.86 3n1q h ALA 833 N 9.24 0.37 -1.77 9.38 0.00 -0.13 -3.48 119.26 132.87 3n1q h ALA 833 Ca -0.30 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 53.99 3n1q h ALA 833 Cb 1.12 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.69 3n1q h ALA 833 CO 0.99 0.80 0.50 1.52 0.00 0.00 0.00 179.25 183.05 3n1q s TYR 834 N -3.33 -0.39 -0.09 0.00 1.13 -1.12 -5.01 117.35 108.53 3n1q s TYR 834 Ca -0.06 0.59 0.02 0.00 -1.41 0.00 0.00 57.07 56.20 3n1q s TYR 834 Cb 0.09 0.47 0.01 0.00 -1.10 0.00 0.00 41.96 41.43 3n1q s TYR 834 CO 0.87 -0.42 -0.14 0.95 -2.51 0.00 0.00 175.55 174.30 3n1q s THR 835 N -1.59 1.38 -0.03 -3.49 -4.23 -1.26 -1.99 115.64 104.43 3n1q s THR 835 Ca -0.01 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 3n1q s THR 835 Cb -0.01 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.59 3n1q s THR 835 CO 0.00 0.41 -0.04 -0.70 -0.54 0.00 0.00 174.62 173.75 3n1q s GLU 836 N 0.90 0.61 -0.09 3.99 2.12 0.44 -4.93 118.70 121.74 3n1q s GLU 836 Ca -0.09 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 3n1q s GLU 836 Cb -0.15 -0.64 -0.03 0.00 0.26 0.00 0.00 34.13 33.56 3n1q s GLU 836 CO 0.00 -0.02 1.29 0.00 -0.54 0.00 0.00 175.26 175.99 3n1q s ALA 837 N 0.58 3.58 -0.10 6.30 0.00 -1.26 -0.04 121.76 130.83 3n1q s ALA 837 Ca -0.07 0.62 0.15 0.00 0.00 0.00 0.00 51.96 52.67 3n1q s ALA 837 Cb -0.10 -3.59 -0.22 0.00 0.00 0.00 0.00 23.12 19.21 3n1q s ALA 837 CO -0.00 -0.99 0.52 1.33 0.00 0.00 0.00 175.76 176.62 3n1q n VAL 838 N 4.98 1.39 -2.17 0.00 0.24 -0.42 -4.90 118.33 117.45 3n1q n VAL 838 Ca 0.13 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3n1q n VAL 838 Cb 0.45 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3n1q n VAL 838 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3n1q n SER 839 N -2.89 0.00 -0.68 -1.34 3.41 -1.05 -4.98 113.62 106.08 3n1q n SER 839 Ca -0.19 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 3n1q n SER 839 Cb 1.02 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 65.33 3n1q n SER 839 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n1q n ASP 840 N 0.00 2.10 0.00 4.04 5.75 -1.26 -1.31 116.55 125.87 3n1q n ASP 840 Ca 0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 3n1q n ASP 840 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3n1q n ASP 840 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3n1q n THR 841 N 0.63 0.00 -4.09 2.12 -2.24 -1.26 -1.68 114.28 107.76 3n1q n THR 841 Ca 0.17 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 3n1q n THR 841 Cb 0.44 1.75 -0.15 0.00 -2.10 0.00 0.00 70.33 70.28 3n1q n THR 841 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n1q s GLN 842 N 0.00 0.37 0.00 -0.78 -0.21 -1.26 -1.64 119.66 116.14 3n1q s GLN 842 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 55.36 55.31 3n1q s GLN 842 Cb 0.00 -0.38 -0.02 0.00 1.00 0.00 0.00 33.01 33.61 3n1q s GLN 842 CO 0.00 0.06 -0.16 0.42 -2.12 0.00 0.00 175.29 173.48 3n1q s ILE 843 N 0.08 1.30 0.01 1.08 1.01 -0.31 -1.30 121.20 123.07 3n1q s ILE 843 Ca -0.00 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.89 3n1q s ILE 843 Cb -0.04 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3n1q s ILE 843 CO -0.00 0.29 -0.11 -0.32 0.00 0.00 0.00 174.94 174.80 3n1q s MET 844 N -0.60 2.41 -0.01 2.79 -2.45 0.95 -1.04 119.30 121.35 3n1q s MET 844 Ca 0.06 -0.79 0.01 0.00 -1.25 0.00 0.00 55.69 53.72 3n1q s MET 844 Cb -0.07 -2.40 0.00 0.00 1.25 0.00 0.00 34.83 33.61 3n1q s MET 844 CO -0.00 0.59 -0.03 -0.48 1.05 0.00 0.00 175.02 176.14 3n1q s LEU 845 N -1.35 1.84 -0.07 4.11 2.34 -0.92 -0.42 118.68 124.21 3n1q s LEU 845 Ca 0.16 -0.07 0.04 0.00 0.06 0.00 0.00 54.13 54.32 3n1q s LEU 845 Cb -0.11 -0.22 -0.00 0.00 -0.56 0.00 0.00 46.19 45.30 3n1q s LEU 845 CO 0.06 0.02 -0.21 -0.75 -1.06 0.00 0.00 176.35 174.41 3n1q s LYS 846 N 0.13 2.44 0.34 1.48 2.36 -0.84 -2.03 119.74 123.62 3n1q s LYS 846 Ca -0.01 -0.75 0.04 0.00 -2.55 0.00 0.00 55.97 52.70 3n1q s LYS 846 Cb -0.04 -1.96 -0.06 0.00 -1.05 0.00 0.00 37.83 34.72 3n1q s LYS 846 CO -0.00 0.21 0.07 1.67 1.55 0.00 0.00 175.35 178.85 3n1q s TRP 847 N 0.22 1.92 -0.07 4.03 -2.14 -0.77 0.64 118.94 122.76 3n1q s TRP 847 Ca -0.12 -1.02 0.01 0.00 2.66 0.00 0.00 56.10 57.64 3n1q s TRP 847 Cb -0.15 -1.26 0.02 0.00 -3.10 0.00 0.00 33.47 28.98 3n1q s TRP 847 CO 0.05 -0.05 -0.07 0.95 -2.66 0.00 0.00 176.95 175.17 3n1q s THR 848 N -3.29 0.85 0.00 0.66 -4.23 -0.54 -4.84 115.64 104.24 3n1q s THR 848 Ca 0.34 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 3n1q s THR 848 Cb 0.08 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.07 3n1q s THR 848 CO 0.15 0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 3n1q n TYR 849 N 4.33 0.00 0.00 3.99 9.36 -1.26 -2.91 117.16 130.68 3n1q n TYR 849 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 3n1q n TYR 849 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 3n1q n TYR 849 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3n1q n ILE 859 N 0.00 0.00 0.17 2.97 -0.00 -1.26 -5.09 119.36 116.15 3n1q n ILE 859 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.79 3n1q n ILE 859 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 39.64 39.90 3n1q n ILE 859 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3n1q h GLN 860 N 0.00 0.00 0.00 0.38 4.20 -1.75 -3.42 115.11 114.52 3n1q h GLN 860 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n1q h GLN 860 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3n1q h GLN 860 CO 0.00 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 179.01 3n1q n GLY 861 N 0.43 -1.31 3.24 3.46 0.00 -1.00 -4.15 105.19 105.86 3n1q n GLY 861 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3n1q n GLY 861 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1q s PHE 862 N -3.00 1.55 -0.19 1.61 0.40 -0.96 -0.70 117.98 116.70 3n1q s PHE 862 Ca 0.00 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3n1q s PHE 862 Cb 0.00 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 3n1q s PHE 862 CO 0.00 0.15 -0.00 0.71 0.70 0.00 0.00 175.22 176.78 3n1q s TYR 863 N -1.30 3.04 -0.29 0.36 4.12 0.56 -3.16 117.35 120.68 3n1q s TYR 863 Ca 0.04 -0.43 -0.02 0.00 0.02 0.00 0.00 57.07 56.68 3n1q s TYR 863 Cb -0.10 -2.06 0.04 0.00 -1.52 0.00 0.00 41.96 38.32 3n1q s TYR 863 CO 0.04 -0.20 -0.01 0.42 0.02 0.00 0.00 175.55 175.81 3n1q s ILE 864 N 0.89 3.04 -0.16 2.71 1.09 -0.44 -1.55 121.20 126.78 3n1q s ILE 864 Ca 0.01 -1.24 -0.08 0.00 -1.10 0.00 0.00 60.65 58.24 3n1q s ILE 864 Cb -0.14 -2.68 -0.04 0.00 -1.06 0.00 0.00 42.46 38.54 3n1q s ILE 864 CO 0.02 -0.01 0.13 -0.31 -0.10 0.00 0.00 174.94 174.66 3n1q s TYR 865 N 1.29 3.48 0.01 3.97 2.02 -0.33 -1.30 117.35 126.50 3n1q s TYR 865 Ca -0.03 0.40 0.01 0.00 -0.37 0.00 0.00 57.07 57.08 3n1q s TYR 865 Cb -0.19 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3n1q s TYR 865 CO -0.02 0.50 -0.04 1.52 -1.57 0.00 0.00 175.55 175.94 3n1q s TYR 866 N -0.34 0.34 -0.03 2.71 -0.85 -1.01 -2.28 117.35 115.89 3n1q s TYR 866 Ca 0.11 -0.23 -0.17 0.00 -0.52 0.00 0.00 57.07 56.26 3n1q s TYR 866 Cb -0.12 -0.22 0.03 0.00 0.38 0.00 0.00 41.96 42.04 3n1q s TYR 866 CO 0.01 -0.05 0.36 0.50 -1.52 0.00 0.00 175.55 174.85 3n1q s ARG 867 N -0.63 0.71 0.12 -3.49 3.52 -0.84 -0.89 118.95 117.46 3n1q s ARG 867 Ca -0.04 -0.09 -0.35 0.00 -0.13 0.00 0.00 55.73 55.12 3n1q s ARG 867 Cb -0.05 0.32 -0.14 0.00 -1.56 0.00 0.00 34.95 33.52 3n1q s ARG 867 CO -0.00 -0.20 1.54 -2.30 -0.81 0.00 0.00 175.30 173.53 3n1q n PRO 868 N 1.30 1.90 0.18 5.12 -0.02 -1.26 0.76 135.00 142.98 3n1q n PRO 868 Ca -0.21 0.69 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 3n1q n PRO 868 Cb 0.56 -2.43 0.66 0.00 -0.02 0.00 0.00 33.50 32.27 3n1q n PRO 868 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n1q h THR 869 N 3.67 0.00 0.00 3.45 2.02 -1.55 -0.01 112.91 120.49 3n1q h THR 869 Ca -0.46 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 3n1q h THR 869 Cb 1.27 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3n1q h THR 869 CO 0.87 0.00 -0.19 0.44 0.37 0.00 0.00 175.52 177.01 3n1q h ASP 870 N 0.00 0.00 -3.32 4.18 5.19 -1.87 -3.43 116.42 117.16 3n1q h ASP 870 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 3n1q h ASP 870 Cb 0.05 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.47 3n1q h ASP 870 CO 0.00 0.19 -0.18 -0.55 -3.12 0.00 0.00 179.24 175.57 3n1q s SER 871 N -6.15 6.62 -0.26 6.45 0.15 -0.02 -4.95 113.70 115.54 3n1q s SER 871 Ca 0.03 0.74 0.13 0.00 0.70 0.00 0.00 55.95 57.54 3n1q s SER 871 Cb 0.08 -2.26 0.69 0.00 -1.71 0.00 0.00 66.02 62.83 3n1q s SER 871 CO 0.64 0.02 1.67 0.47 1.20 0.00 0.00 173.24 177.25 3n1q n ASP 872 N 3.67 4.65 -4.46 5.45 10.43 -1.26 -4.88 116.55 130.14 3n1q n ASP 872 Ca -0.08 -3.15 -0.34 0.00 2.57 0.00 0.00 54.79 53.79 3n1q n ASP 872 Cb 0.52 -0.67 -0.12 0.00 1.84 0.00 0.00 41.12 42.68 3n1q n ASP 872 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3n1q s ASN 873 N -1.33 4.79 0.00 -2.24 3.84 -1.26 -4.99 114.94 113.75 3n1q s ASN 873 Ca 0.51 -0.18 0.22 0.00 0.21 0.00 0.00 52.86 53.63 3n1q s ASN 873 Cb 0.41 -1.80 1.06 0.00 -0.55 0.00 0.00 41.25 40.36 3n1q s ASN 873 CO 0.12 0.11 1.73 0.47 -2.79 0.00 0.00 177.10 176.74 3n1q n ASP 874 N 3.92 0.00 -0.02 -4.21 8.00 -1.26 -2.44 116.55 120.54 3n1q n ASP 874 Ca -0.17 0.20 0.13 0.00 0.71 0.00 0.00 54.79 55.66 3n1q n ASP 874 Cb 0.52 -0.38 0.49 0.00 -0.02 0.00 0.00 41.12 41.73 3n1q n ASP 874 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n1q n SER 875 N -1.38 0.27 -1.84 -2.24 7.64 -1.26 -3.86 113.62 110.95 3n1q n SER 875 Ca 0.08 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 3n1q n SER 875 Cb 0.22 -0.15 0.18 0.00 -1.01 0.00 0.00 64.21 63.44 3n1q n SER 875 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n1q n ASP 876 N -1.39 3.81 -4.69 6.43 8.00 -1.02 -4.91 116.55 122.78 3n1q n ASP 876 Ca 0.08 -3.10 -0.37 0.00 0.71 0.00 0.00 54.79 52.11 3n1q n ASP 876 Cb 0.32 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 3n1q n ASP 876 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n1q s TYR 877 N -2.46 3.41 0.76 1.24 1.51 -1.25 -4.51 117.35 116.04 3n1q s TYR 877 Ca 0.43 0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 56.93 3n1q s TYR 877 Cb 0.35 -2.41 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 3n1q s TYR 877 CO 0.09 0.11 1.13 0.15 -1.11 0.00 0.00 175.55 175.92 3n1q s LYS 878 N 0.90 2.40 -0.02 -0.62 1.02 -0.07 -4.84 119.74 118.51 3n1q s LYS 878 Ca 0.17 0.33 0.01 0.00 0.02 0.00 0.00 55.97 56.49 3n1q s LYS 878 Cb -0.14 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 3n1q s LYS 878 CO 0.06 -1.33 -0.02 0.50 -0.92 0.00 0.00 175.35 173.64 3n1q s ARG 879 N -5.43 0.36 -0.05 1.68 3.52 -1.26 -2.40 118.95 115.37 3n1q s ARG 879 Ca 0.60 -0.01 0.06 0.00 -0.13 0.00 0.00 55.73 56.25 3n1q s ARG 879 Cb -0.11 -0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 32.80 3n1q s ARG 879 CO 0.51 -0.06 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.18 3n1q s ASP 880 N 0.64 3.10 -0.34 -2.12 1.11 -0.42 -4.94 116.67 113.70 3n1q s ASP 880 Ca -0.07 -0.49 -0.05 0.00 0.18 0.00 0.00 52.55 52.12 3n1q s ASP 880 Cb -0.10 -0.75 0.05 0.00 1.07 0.00 0.00 42.92 43.19 3n1q s ASP 880 CO -0.01 0.26 0.09 -0.69 1.18 0.00 0.00 175.17 176.00 3n1q s VAL 881 N -0.26 3.49 0.00 -1.27 1.01 -1.26 -1.32 120.40 120.79 3n1q s VAL 881 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3n1q s VAL 881 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3n1q s VAL 881 CO 0.03 -0.23 0.00 0.52 0.00 0.00 0.00 175.10 175.42 3n1q n VAL 882 N 4.73 0.00 0.00 2.92 0.31 -1.19 -5.00 118.33 120.11 3n1q n VAL 882 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3n1q n VAL 882 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3n1q n VAL 882 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3n1q n GLU 883 N 0.00 1.01 0.00 5.55 2.13 -1.26 -4.74 120.64 123.33 3n1q n GLU 883 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3n1q n GLU 883 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3n1q n GLU 883 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3n1q n GLY 884 N 5.00 0.38 0.05 8.31 0.00 -1.26 -2.25 105.19 115.41 3n1q n GLY 884 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3n1q n GLY 884 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3n1q n SER 885 N -0.29 0.57 -4.73 1.61 3.41 -1.26 -4.81 113.62 108.12 3n1q n SER 885 Ca 0.00 -0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 57.41 3n1q n SER 885 Cb 0.00 0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3n1q n SER 885 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3n1q s LYS 886 N -1.71 4.47 -0.02 4.33 2.20 -1.26 -4.93 119.74 122.82 3n1q s LYS 886 Ca 0.04 1.86 0.11 0.00 -0.36 0.00 0.00 55.97 57.62 3n1q s LYS 886 Cb 0.07 -3.27 0.33 0.00 -1.51 0.00 0.00 37.83 33.45 3n1q s LYS 886 CO 0.33 -0.14 1.27 1.04 -0.36 0.00 0.00 175.35 177.49 3n1q n GLN 887 N 2.93 2.89 -3.85 4.03 6.02 -1.26 -4.92 117.38 123.22 3n1q n GLN 887 Ca 0.06 -2.14 -0.09 0.00 -0.01 0.00 0.00 57.00 54.81 3n1q n GLN 887 Cb 0.45 -1.34 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 3n1q n GLN 887 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 3n1q s TRP 888 N -1.23 0.15 -0.21 1.08 1.48 -1.26 -1.84 118.94 117.11 3n1q s TRP 888 Ca 0.25 -0.54 -0.16 0.00 -1.06 0.00 0.00 56.10 54.59 3n1q s TRP 888 Cb 0.15 0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.53 3n1q s TRP 888 CO 0.15 -0.64 0.54 -1.58 -4.06 0.00 0.00 176.95 171.35 3n1q s HIS 889 N -3.88 -0.66 -0.49 1.66 2.46 -0.86 -5.01 115.29 108.50 3n1q s HIS 889 Ca 0.08 1.51 -0.11 0.00 0.47 0.00 0.00 55.06 57.02 3n1q s HIS 889 Cb 0.04 0.28 0.12 0.00 -0.13 0.00 0.00 32.58 32.89 3n1q s HIS 889 CO -0.08 -0.33 0.39 1.41 -2.47 0.00 0.00 174.74 173.66 3n1q s MET 890 N 0.70 2.61 0.03 2.88 0.00 -1.26 -2.18 119.30 122.08 3n1q s MET 890 Ca -0.03 -1.76 -0.30 0.00 0.00 0.00 0.00 55.69 53.60 3n1q s MET 890 Cb -0.05 -4.03 -0.04 0.00 0.00 0.00 0.00 34.83 30.71 3n1q s MET 890 CO -0.05 -1.23 1.05 0.42 0.00 0.00 0.00 175.02 175.21 3n1q s ILE 891 N 1.42 4.57 0.34 10.11 1.01 -0.21 -4.93 121.20 133.51 3n1q s ILE 891 Ca 0.05 1.86 0.03 0.00 0.00 0.00 0.00 60.65 62.59 3n1q s ILE 891 Cb -0.27 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 3n1q s ILE 891 CO 0.00 0.15 0.11 0.61 0.00 0.00 0.00 174.94 175.81 3n1q n GLY 892 N 2.96 3.43 2.59 6.18 0.00 -1.26 -1.16 105.19 117.93 3n1q n GLY 892 Ca 0.07 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 3n1q n GLY 892 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n1q n HIS 893 N -0.78 -1.28 -3.35 1.61 8.25 -1.02 -4.95 115.22 113.70 3n1q n HIS 893 Ca -0.06 0.30 -0.19 0.00 -0.26 0.00 0.00 57.72 57.51 3n1q n HIS 893 Cb 0.50 -3.46 -0.01 0.00 1.12 0.00 0.00 29.99 28.14 3n1q n HIS 893 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n1q s LEU 894 N -4.83 3.67 0.18 2.41 1.43 -0.65 -5.08 118.68 115.80 3n1q s LEU 894 Ca 0.18 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 3n1q s LEU 894 Cb -0.08 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 3n1q s LEU 894 CO 0.22 -0.60 0.55 -1.10 0.23 0.00 0.00 176.35 175.64 3n1q s GLN 895 N -4.21 3.91 0.51 1.70 -1.52 -1.26 -4.34 119.66 114.45 3n1q s GLN 895 Ca 0.49 0.41 -0.23 0.00 -1.95 0.00 0.00 55.36 54.09 3n1q s GLN 895 Cb -0.08 -2.83 -0.06 0.00 -0.22 0.00 0.00 33.01 29.83 3n1q s GLN 895 CO 0.31 0.42 1.33 -2.14 -0.25 0.00 0.00 175.29 174.95 3n1q s PRO 896 N -2.27 3.37 -1.32 2.91 0.02 -0.68 -3.08 135.00 133.95 3n1q s PRO 896 Ca 0.41 2.16 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 3n1q s PRO 896 Cb -0.14 -2.36 0.05 0.00 0.02 0.00 0.00 34.50 32.07 3n1q s PRO 896 CO 0.20 -0.98 0.47 0.39 -0.33 0.00 0.00 177.00 176.74 3n1q n GLU 897 N -0.75 -3.63 -4.81 5.54 1.02 0.14 -4.96 120.64 113.20 3n1q n GLU 897 Ca 0.09 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.49 3n1q n GLU 897 Cb 0.45 -5.32 -0.14 0.00 -0.02 0.00 0.00 31.44 26.41 3n1q n GLU 897 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3n1q s THR 898 N -2.96 3.08 0.01 2.62 2.01 -1.18 -4.87 115.64 114.35 3n1q s THR 898 Ca 0.34 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 3n1q s THR 898 Cb -0.17 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 3n1q s THR 898 CO 0.41 0.55 0.63 -0.55 -0.69 0.00 0.00 174.62 174.97 3n1q s SER 899 N -0.04 7.02 0.13 3.53 0.15 -1.26 -1.93 113.70 121.30 3n1q s SER 899 Ca -0.03 1.22 0.07 0.00 0.70 0.00 0.00 55.95 57.91 3n1q s SER 899 Cb -0.14 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3n1q s SER 899 CO 0.04 0.09 -0.17 -0.31 1.20 0.00 0.00 173.24 174.08 3n1q s TYR 900 N -0.17 1.64 -0.12 3.44 1.51 0.15 -1.49 117.35 122.30 3n1q s TYR 900 Ca 0.32 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.81 3n1q s TYR 900 Cb -0.19 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3n1q s TYR 900 CO 0.18 0.22 0.19 -0.51 -1.11 0.00 0.00 175.55 174.53 3n1q s ASP 901 N -2.37 6.42 -0.09 2.29 1.01 0.23 -1.63 116.67 122.53 3n1q s ASP 901 Ca 0.10 0.49 -0.02 0.00 0.71 0.00 0.00 52.55 53.84 3n1q s ASP 901 Cb -0.07 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.79 3n1q s ASP 901 CO 0.05 0.32 0.02 -0.63 0.21 0.00 0.00 175.17 175.13 3n1q s ILE 902 N -0.59 0.31 0.01 0.77 1.01 0.57 -1.99 121.20 121.28 3n1q s ILE 902 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 3n1q s ILE 902 Cb -0.13 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 3n1q s ILE 902 CO 0.04 0.16 0.07 -1.59 0.00 0.00 0.00 174.94 173.62 3n1q s LYS 903 N 1.99 0.39 0.22 2.79 -2.85 -0.97 -0.43 119.74 120.89 3n1q s LYS 903 Ca 0.04 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 3n1q s LYS 903 Cb -0.13 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 3n1q s LYS 903 CO -0.05 -0.08 0.03 0.00 0.10 0.00 0.00 175.35 175.35 3n1q s MET 904 N -1.33 1.29 -0.24 1.78 0.23 -1.26 -1.18 119.30 118.59 3n1q s MET 904 Ca -0.14 -1.66 -0.15 0.00 -1.03 0.00 0.00 55.69 52.70 3n1q s MET 904 Cb -0.08 -0.37 0.07 0.00 -1.53 0.00 0.00 34.83 32.92 3n1q s MET 904 CO 0.00 -0.18 0.60 1.14 -2.03 0.00 0.00 175.02 174.55 3n1q s GLN 905 N -3.94 0.63 0.49 3.16 -2.07 -0.60 -0.80 119.66 116.53 3n1q s GLN 905 Ca 0.30 1.02 -0.19 0.00 -1.82 0.00 0.00 55.36 54.68 3n1q s GLN 905 Cb 0.07 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 32.04 3n1q s GLN 905 CO 0.09 -0.14 1.00 0.00 -1.32 0.00 0.00 175.29 174.92 3n1q s PHE 907 N -2.28 0.15 0.00 0.00 -0.12 0.12 -1.32 117.98 114.54 3n1q s PHE 907 Ca 0.63 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 3n1q s PHE 907 Cb -0.12 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.15 3n1q s PHE 907 CO 0.23 -0.24 0.00 0.27 -0.05 0.00 0.00 175.22 175.43 3n1q n ASN 908 N 1.52 0.34 -0.16 1.98 0.23 -0.14 -2.08 115.26 116.95 3n1q n ASN 908 Ca -0.23 -0.22 -0.10 0.00 -0.53 0.00 0.00 54.58 53.49 3n1q n ASN 908 Cb 0.55 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.25 3n1q n ASN 908 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3n1q h GLU 909 N 0.00 0.83 -0.76 -3.83 9.09 -2.01 -3.10 114.58 114.80 3n1q h GLU 909 Ca 0.00 -0.28 0.09 0.00 0.05 0.00 0.00 59.36 59.22 3n1q h GLU 909 Cb 0.00 -0.07 -0.07 0.00 -1.65 0.00 0.00 28.75 26.96 3n1q h GLU 909 CO 0.00 0.90 0.41 0.78 0.05 0.00 0.00 179.01 181.15 3n1q h GLY 910 N 0.67 1.16 0.00 1.06 0.00 -2.04 -3.48 103.07 100.44 3n1q h GLY 910 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3n1q h GLY 910 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.28 3n1q n GLY 911 N -1.31 -0.54 3.23 4.60 0.00 -1.17 -5.14 105.19 104.86 3n1q n GLY 911 Ca 0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3n1q n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n1q s GLU 912 N -1.68 1.57 0.79 1.61 8.01 -1.26 -0.96 118.70 126.78 3n1q s GLU 912 Ca 0.00 -0.83 -0.11 0.00 0.01 0.00 0.00 54.97 54.04 3n1q s GLU 912 Cb 0.00 -1.59 0.07 0.00 -4.31 0.00 0.00 34.13 28.30 3n1q s GLU 912 CO 0.00 0.42 1.09 -1.54 0.01 0.00 0.00 175.26 175.24 3n1q s SER 913 N -0.77 4.47 0.63 -0.19 1.04 -0.43 -5.00 113.70 113.44 3n1q s SER 913 Ca 0.08 1.45 -0.18 0.00 0.48 0.00 0.00 55.95 57.78 3n1q s SER 913 Cb -0.08 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 3n1q s SER 913 CO 0.00 -2.00 1.23 -1.83 0.98 0.00 0.00 173.24 171.62 3n1q s GLU 914 N -5.07 2.74 0.68 4.02 -1.05 -1.26 -4.66 118.70 114.10 3n1q s GLU 914 Ca 0.61 1.86 -0.17 0.00 -0.15 0.00 0.00 54.97 57.12 3n1q s GLU 914 Cb -0.15 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 3n1q s GLU 914 CO 0.55 -1.40 1.02 1.19 0.95 0.00 0.00 175.26 177.57 3n1q n PHE 915 N -1.86 0.90 -2.25 4.83 3.01 -1.26 -3.97 117.46 116.86 3n1q n PHE 915 Ca 0.14 0.41 -0.18 0.00 1.01 0.00 0.00 57.45 58.83 3n1q n PHE 915 Cb 0.49 -2.12 0.10 0.00 -0.01 0.00 0.00 39.48 37.94 3n1q n PHE 915 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3n1q n SER 916 N -1.50 0.70 -4.64 4.37 3.41 0.02 -4.88 113.62 111.09 3n1q n SER 916 Ca 0.14 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.69 3n1q n SER 916 Cb 0.49 -0.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3n1q n SER 916 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3n1q n ASN 917 N -3.13 1.40 -4.64 4.04 6.94 -1.26 -4.64 115.26 113.96 3n1q n ASN 917 Ca 0.12 0.94 -0.37 0.00 -0.02 0.00 0.00 54.58 55.24 3n1q n ASN 917 Cb 0.42 -1.42 -0.10 0.00 -2.36 0.00 0.00 39.78 36.32 3n1q n ASN 917 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n1q s VAL 918 N -1.37 5.33 0.06 3.53 1.01 -1.26 -4.53 120.40 123.16 3n1q s VAL 918 Ca 0.69 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.92 3n1q s VAL 918 Cb -0.47 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3n1q s VAL 918 CO 0.52 0.31 0.07 -0.04 0.00 0.00 0.00 175.10 175.96 3n1q s MET 919 N 1.26 2.89 -0.32 2.72 -1.94 0.43 -4.91 119.30 119.44 3n1q s MET 919 Ca 0.08 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3n1q s MET 919 Cb -0.14 -2.74 0.06 0.00 2.01 0.00 0.00 34.83 34.02 3n1q s MET 919 CO 0.06 0.58 0.03 0.42 -0.01 0.00 0.00 175.02 176.11 3n1q s ILE 920 N -1.33 3.07 0.12 2.53 1.01 -1.26 -0.32 121.20 125.02 3n1q s ILE 920 Ca 0.27 -1.46 0.10 0.00 0.00 0.00 0.00 60.65 59.56 3n1q s ILE 920 Cb -0.12 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3n1q s ILE 920 CO 0.20 -0.19 -0.23 0.00 0.00 0.00 0.00 174.94 174.72 3n1q s GLU 922 N -2.06 2.15 0.79 0.00 2.12 -1.26 0.30 118.70 120.74 3n1q s GLU 922 Ca 0.16 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 3n1q s GLU 922 Cb -0.10 -1.71 0.07 0.00 0.26 0.00 0.00 34.13 32.65 3n1q s GLU 922 CO 0.08 0.07 1.11 0.95 -0.54 0.00 0.00 175.26 176.93 3n1q s THR 923 N 0.58 3.00 -2.00 -1.70 -4.23 -0.81 -4.56 115.64 105.91 3n1q s THR 923 Ca -0.16 0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3n1q s THR 923 Cb -0.16 -2.75 0.18 0.00 1.34 0.00 0.00 72.50 71.11 3n1q s THR 923 CO 0.05 -0.40 0.84 0.29 -0.54 0.00 0.00 174.62 174.86