#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q s PRO 830 N 0.00 -0.19 -0.05 1.61 0.02 -1.26 -4.97 135.00 130.16 3n1q s PRO 830 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 61.00 60.99 3n1q s PRO 830 Cb 0.00 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.84 3n1q s PRO 830 CO 0.00 -3.03 0.05 -1.58 -0.33 0.00 0.00 177.00 172.11 3n1q s HIS 831 N -3.25 0.14 -0.25 6.54 2.46 -0.86 -4.35 115.29 115.72 3n1q s HIS 831 Ca 0.70 0.19 -0.29 0.00 0.47 0.00 0.00 55.06 56.13 3n1q s HIS 831 Cb -0.10 -0.53 -0.00 0.00 -0.13 0.00 0.00 32.58 31.82 3n1q s HIS 831 CO 0.55 -0.21 1.25 0.42 -2.47 0.00 0.00 174.74 174.28 3n1q s ILE 832 N 2.14 4.26 0.10 0.89 1.01 -1.26 -1.36 121.20 126.98 3n1q s ILE 832 Ca 0.05 1.47 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 3n1q s ILE 832 Cb -0.12 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 3n1q s ILE 832 CO -0.03 -0.34 1.55 0.00 0.00 0.00 0.00 174.94 176.11 3n1q h ALA 833 N 8.70 0.40 -2.33 9.38 0.00 -0.15 -3.48 119.26 131.79 3n1q h ALA 833 Ca -0.25 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.62 3n1q h ALA 833 Cb 1.09 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3n1q h ALA 833 CO 1.01 0.13 0.50 1.52 0.00 0.00 0.00 179.25 182.41 3n1q s TYR 834 N -5.05 -0.11 -0.05 0.00 1.13 -1.16 -5.01 117.35 107.11 3n1q s TYR 834 Ca -0.13 -0.20 -0.04 0.00 -1.41 0.00 0.00 57.07 55.28 3n1q s TYR 834 Cb 0.08 0.64 0.01 0.00 -1.10 0.00 0.00 41.96 41.60 3n1q s TYR 834 CO 0.76 -0.83 0.12 0.95 -2.51 0.00 0.00 175.55 174.05 3n1q s THR 835 N -3.18 -0.00 -0.14 -3.49 -4.23 -1.26 -2.30 115.64 101.03 3n1q s THR 835 Ca 0.13 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3n1q s THR 835 Cb -0.01 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.70 3n1q s THR 835 CO 0.02 0.01 0.34 -0.70 -0.54 0.00 0.00 174.62 173.75 3n1q s GLU 836 N 0.15 0.32 0.35 3.99 2.12 -1.16 -4.98 118.70 119.49 3n1q s GLU 836 Ca -0.01 0.65 -0.27 0.00 0.36 0.00 0.00 54.97 55.70 3n1q s GLU 836 Cb -0.02 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.24 3n1q s GLU 836 CO -0.00 -0.15 1.23 0.00 -0.54 0.00 0.00 175.26 175.80 3n1q s ALA 837 N 1.20 3.35 -0.10 6.30 0.00 -1.26 -1.31 121.76 129.93 3n1q s ALA 837 Ca -0.08 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.06 3n1q s ALA 837 Cb -0.08 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 3n1q s ALA 837 CO -0.10 -0.55 0.01 1.33 0.00 0.00 0.00 175.76 176.45 3n1q n VAL 838 N 0.56 0.68 -3.83 0.00 0.24 -0.41 -4.90 118.33 110.67 3n1q n VAL 838 Ca 0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3n1q n VAL 838 Cb 0.44 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.44 0.00 0.00 -1.34 3.41 -1.16 -4.97 113.62 107.11 3n1q n SER 839 Ca -0.17 -0.99 0.15 0.00 -0.26 0.00 0.00 58.87 57.60 3n1q n SER 839 Cb 0.81 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.64 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 -2.66 0.00 0.00 4.04 5.75 -1.26 -1.70 116.55 120.72 3n1q n ASP 840 Ca 0.00 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 3n1q n ASP 840 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.03 0.00 -4.76 2.12 -2.24 -1.26 -2.39 114.28 104.72 3n1q n THR 841 Ca 0.22 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 3n1q n THR 841 Cb 0.12 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.28 1.41 -0.03 -0.78 -0.21 -1.24 -1.71 119.66 116.82 3n1q s GLN 842 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.63 3n1q s GLN 842 Cb 0.00 -1.42 0.02 0.00 1.00 0.00 0.00 33.01 32.62 3n1q s GLN 842 CO 0.00 0.38 -0.01 0.42 -2.12 0.00 0.00 175.29 173.96 3n1q s ILE 843 N -0.59 0.24 0.60 1.08 1.01 -0.26 -1.29 121.20 122.00 3n1q s ILE 843 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 3n1q s ILE 843 Cb -0.08 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.10 3n1q s ILE 843 CO 0.00 0.15 0.88 -0.04 0.00 0.00 0.00 174.94 175.94 3n1q s MET 844 N 0.92 2.67 -0.28 2.79 -1.94 -0.43 -0.87 119.30 122.15 3n1q s MET 844 Ca -0.10 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 53.45 3n1q s MET 844 Cb -0.13 -2.32 0.08 0.00 2.01 0.00 0.00 34.83 34.48 3n1q s MET 844 CO -0.01 -0.80 0.71 -0.48 -0.01 0.00 0.00 175.02 174.43 3n1q s LEU 845 N -4.97 -0.92 -0.03 -0.03 2.34 -0.76 -2.99 118.68 111.32 3n1q s LEU 845 Ca 0.56 1.47 0.01 0.00 0.06 0.00 0.00 54.13 56.22 3n1q s LEU 845 Cb -0.10 2.34 -0.03 0.00 -0.56 0.00 0.00 46.19 47.84 3n1q s LEU 845 CO 0.43 -0.23 -0.02 -0.54 -1.06 0.00 0.00 176.35 174.93 3n1q s LYS 846 N 1.61 2.81 0.11 1.48 -0.14 -0.97 -1.89 119.74 122.75 3n1q s LYS 846 Ca -0.10 -0.56 -0.10 0.00 -1.36 0.00 0.00 55.97 53.86 3n1q s LYS 846 Cb -0.05 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 3n1q s LYS 846 CO -0.20 0.65 0.24 1.67 -0.76 0.00 0.00 175.35 176.95 3n1q s TRP 847 N -0.98 0.17 0.32 3.18 -2.14 -0.56 0.63 118.94 119.57 3n1q s TRP 847 Ca 0.16 -0.57 0.08 0.00 2.66 0.00 0.00 56.10 58.43 3n1q s TRP 847 Cb -0.11 -0.02 -0.06 0.00 -3.10 0.00 0.00 33.47 30.18 3n1q s TRP 847 CO 0.06 -0.61 -0.07 0.95 -2.66 0.00 0.00 176.95 174.63 3n1q s THR 848 N -3.88 1.94 0.00 0.66 -4.23 -0.46 -4.76 115.64 104.91 3n1q s THR 848 Ca 0.08 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3n1q s THR 848 Cb 0.04 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3n1q s THR 848 CO -0.08 -0.22 0.00 0.00 -0.54 0.00 0.00 174.62 173.78 3n1q n TYR 849 N -0.72 0.00 0.00 3.99 9.36 -1.26 -2.02 117.16 126.51 3n1q n TYR 849 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3n1q n TYR 849 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 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 -0.08 2.97 -0.00 -1.26 -5.11 119.36 115.88 3n1q n ILE 859 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 3n1q n ILE 859 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 39.53 3n1q n ILE 859 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3n1q n GLN 860 N -1.49 1.09 -3.04 0.38 6.02 -0.47 -4.81 117.38 115.06 3n1q n GLN 860 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3n1q n GLN 860 Cb 0.00 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3n1q n GLN 860 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n1q n GLY 861 N 2.29 -1.24 3.30 1.08 0.00 -1.09 -1.89 105.19 107.64 3n1q n GLY 861 Ca -0.29 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.88 1.85 -0.18 1.61 0.40 -0.46 -1.47 117.98 116.84 3n1q s PHE 862 Ca 0.00 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.85 3n1q s PHE 862 Cb 0.00 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 3n1q s PHE 862 CO 0.00 0.23 0.02 0.71 0.70 0.00 0.00 175.22 176.89 3n1q s TYR 863 N -1.26 3.13 -0.37 0.36 4.12 0.14 -2.18 117.35 121.30 3n1q s TYR 863 Ca 0.08 -0.15 -0.02 0.00 0.02 0.00 0.00 57.07 57.00 3n1q s TYR 863 Cb -0.09 -2.05 0.09 0.00 -1.52 0.00 0.00 41.96 38.39 3n1q s TYR 863 CO 0.05 0.01 0.13 0.42 0.02 0.00 0.00 175.55 176.18 3n1q s ILE 864 N 0.52 3.17 0.03 2.71 1.09 -0.56 -1.69 121.20 126.48 3n1q s ILE 864 Ca 0.00 -1.83 -0.16 0.00 -1.10 0.00 0.00 60.65 57.57 3n1q s ILE 864 Cb -0.13 -3.06 -0.06 0.00 -1.06 0.00 0.00 42.46 38.14 3n1q s ILE 864 CO 0.02 -0.49 0.46 -0.31 -0.10 0.00 0.00 174.94 174.52 3n1q s TYR 865 N 1.17 3.73 -0.07 3.97 2.02 -0.13 -1.29 117.35 126.76 3n1q s TYR 865 Ca 0.04 1.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.76 3n1q s TYR 865 Cb -0.21 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 3n1q s TYR 865 CO -0.03 0.61 0.17 1.52 -1.57 0.00 0.00 175.55 176.25 3n1q s TYR 866 N -1.13 -0.20 0.02 2.71 -0.85 -0.25 -2.50 117.35 115.14 3n1q s TYR 866 Ca 0.27 0.52 0.01 0.00 -0.52 0.00 0.00 57.07 57.34 3n1q s TYR 866 Cb -0.17 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 3n1q s TYR 866 CO 0.16 -0.14 -0.04 0.50 -1.52 0.00 0.00 175.55 174.51 3n1q s ARG 867 N 0.72 0.29 0.15 -3.49 3.52 -0.60 -1.29 118.95 118.26 3n1q s ARG 867 Ca -0.05 -0.43 -0.33 0.00 -0.13 0.00 0.00 55.73 54.78 3n1q s ARG 867 Cb -0.07 -0.07 -0.13 0.00 -1.56 0.00 0.00 34.95 33.12 3n1q s ARG 867 CO -0.04 0.00 1.66 -2.30 -0.81 0.00 0.00 175.30 173.82 3n1q n PRO 868 N 2.12 2.38 0.33 5.12 -0.02 -1.26 0.53 135.00 144.20 3n1q n PRO 868 Ca -0.19 0.86 0.21 0.00 -2.02 0.00 0.00 63.50 62.35 3n1q n PRO 868 Cb 0.57 -2.67 1.13 0.00 -0.02 0.00 0.00 33.50 32.51 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 3.89 0.15 0.00 3.45 2.02 -1.80 0.11 112.91 120.74 3n1q h THR 869 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3n1q h THR 869 Cb 1.24 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3n1q h THR 869 CO 0.92 0.00 0.00 0.47 0.37 0.00 0.00 175.52 177.28 3n1q n ASP 870 N -3.30 0.19 -4.60 4.18 8.00 -1.26 -4.65 116.55 115.10 3n1q n ASP 870 Ca -0.03 0.54 -0.37 0.00 0.71 0.00 0.00 54.79 55.65 3n1q n ASP 870 Cb 0.08 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.49 3n1q n ASP 870 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n1q s SER 871 N -3.36 5.86 -0.28 -2.24 0.15 0.02 -4.95 113.70 108.90 3n1q s SER 871 Ca 0.07 0.02 0.10 0.00 0.70 0.00 0.00 55.95 56.85 3n1q s SER 871 Cb 0.11 -2.06 0.74 0.00 -1.71 0.00 0.00 66.02 63.09 3n1q s SER 871 CO 0.34 0.03 1.73 0.47 1.20 0.00 0.00 173.24 177.02 3n1q n ASP 872 N 4.50 4.98 -4.31 5.45 10.43 -1.26 -4.88 116.55 131.47 3n1q n ASP 872 Ca -0.15 -3.06 -0.36 0.00 2.57 0.00 0.00 54.79 53.79 3n1q n ASP 872 Cb 0.52 -0.72 -0.13 0.00 1.84 0.00 0.00 41.12 42.63 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 -0.85 4.80 0.00 -2.24 3.04 -1.26 -4.96 114.94 113.46 3n1q s ASN 873 Ca 0.52 -0.65 0.11 0.00 0.04 0.00 0.00 52.86 52.88 3n1q s ASN 873 Cb 0.41 -1.81 0.58 0.00 -1.54 0.00 0.00 41.25 38.89 3n1q s ASN 873 CO 0.14 -0.14 1.21 0.47 -3.04 0.00 0.00 177.10 175.74 3n1q n ASP 874 N 4.81 0.00 0.07 -4.21 8.00 -1.26 -1.27 116.55 122.70 3n1q n ASP 874 Ca -0.16 -0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.47 3n1q n ASP 874 Cb 0.48 -0.21 0.35 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 -1.21 0.66 -1.89 -2.24 7.64 -1.26 -4.00 113.62 111.32 3n1q n SER 875 Ca 0.06 0.38 -0.16 0.00 1.01 0.00 0.00 58.87 60.16 3n1q n SER 875 Cb 0.07 -0.41 0.16 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.08 3.68 -4.72 6.43 8.00 -0.40 -4.91 116.55 122.56 3n1q n ASP 876 Ca 0.05 -3.17 -0.36 0.00 0.71 0.00 0.00 54.79 52.02 3n1q n ASP 876 Cb 0.42 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.49 3.44 0.07 1.24 1.51 -1.26 -4.52 117.35 115.34 3n1q s TYR 877 Ca 0.43 0.55 -0.17 0.00 -1.01 0.00 0.00 57.07 56.87 3n1q s TYR 877 Cb 0.36 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.80 3n1q s TYR 877 CO 0.09 0.20 0.53 0.15 -1.11 0.00 0.00 175.55 175.41 3n1q s LYS 878 N 0.60 4.10 -0.08 -0.62 1.02 -0.41 -4.84 119.74 119.50 3n1q s LYS 878 Ca 0.15 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 56.75 3n1q s LYS 878 Cb -0.13 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3n1q s LYS 878 CO 0.04 0.62 -0.02 0.50 -0.92 0.00 0.00 175.35 175.57 3n1q s ARG 879 N -1.26 2.96 0.19 1.68 3.52 -1.26 -1.10 118.95 123.68 3n1q s ARG 879 Ca 0.29 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.53 3n1q s ARG 879 Cb -0.18 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 3n1q s ARG 879 CO 0.18 0.66 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.68 3n1q s ASP 880 N -0.78 4.03 -0.11 -2.12 1.11 -0.41 -4.95 116.67 113.44 3n1q s ASP 880 Ca 0.12 -0.67 0.01 0.00 0.18 0.00 0.00 52.55 52.19 3n1q s ASP 880 Cb -0.11 -0.59 0.02 0.00 1.07 0.00 0.00 42.92 43.31 3n1q s ASP 880 CO 0.02 0.10 -0.12 -0.69 1.18 0.00 0.00 175.17 175.66 3n1q s VAL 881 N -1.72 1.33 0.19 -1.27 1.01 -1.26 -1.49 120.40 117.18 3n1q s VAL 881 Ca 0.24 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3n1q s VAL 881 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3n1q s VAL 881 CO 0.14 0.41 -0.18 0.68 0.00 0.00 0.00 175.10 176.15 3n1q s VAL 882 N 1.28 1.90 0.80 2.92 -7.23 -0.92 -5.00 120.40 114.15 3n1q s VAL 882 Ca -0.01 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 57.97 3n1q s VAL 882 Cb -0.14 -1.97 0.07 0.00 0.56 0.00 0.00 36.38 34.90 3n1q s VAL 882 CO -0.05 -0.40 1.09 -1.83 -0.31 0.00 0.00 175.10 173.60 3n1q s GLU 883 N -3.14 2.08 0.00 4.82 4.04 -1.26 -1.36 118.70 123.88 3n1q s GLU 883 Ca 0.20 0.68 0.18 0.00 0.04 0.00 0.00 54.97 56.07 3n1q s GLU 883 Cb -0.04 -1.91 0.85 0.00 0.02 0.00 0.00 34.13 33.05 3n1q s GLU 883 CO 0.08 -1.64 1.56 0.41 -1.84 0.00 0.00 175.26 173.84 3n1q n GLY 884 N -2.01 -0.99 1.30 -3.83 0.00 -0.79 -2.70 105.19 96.17 3n1q n GLY 884 Ca 0.07 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.38 4.28 -4.84 1.61 3.41 -1.26 -4.86 113.62 110.58 3n1q n SER 885 Ca 0.07 -2.44 -0.37 0.00 -0.26 0.00 0.00 58.87 55.87 3n1q n SER 885 Cb 0.17 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 3n1q n SER 885 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n1q s LYS 886 N -1.81 3.54 0.00 4.33 -0.14 -1.10 -4.97 119.74 119.59 3n1q s LYS 886 Ca 0.45 -0.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 3n1q s LYS 886 Cb 0.29 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 3n1q s LYS 886 CO 0.21 0.69 0.78 1.04 -0.76 0.00 0.00 175.35 177.30 3n1q n GLN 887 N 2.26 1.55 -3.81 1.68 6.02 -1.26 -5.01 117.38 118.81 3n1q n GLN 887 Ca -0.19 -1.07 -0.12 0.00 -0.01 0.00 0.00 57.00 55.60 3n1q n GLN 887 Cb 0.54 -0.92 -0.10 0.00 1.02 0.00 0.00 30.24 30.78 3n1q n GLN 887 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3n1q s TRP 888 N -0.60 -0.13 0.08 1.08 -0.00 -1.26 -1.49 118.94 116.62 3n1q s TRP 888 Ca 0.00 0.27 -0.07 0.00 -0.00 0.00 0.00 56.10 56.29 3n1q s TRP 888 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 33.47 33.50 3n1q s TRP 888 CO 0.00 -0.25 0.15 -1.58 -0.00 0.00 0.00 176.95 175.27 3n1q s HIS 889 N -0.76 0.21 -0.22 5.86 5.65 -0.79 -5.01 115.29 120.22 3n1q s HIS 889 Ca -0.09 -0.64 0.00 0.00 0.25 0.00 0.00 55.06 54.59 3n1q s HIS 889 Cb -0.05 -0.12 0.06 0.00 -1.18 0.00 0.00 32.58 31.29 3n1q s HIS 889 CO 0.02 -0.50 -0.05 1.41 -0.65 0.00 0.00 174.74 174.97 3n1q s MET 890 N -3.71 1.57 0.02 2.88 1.75 -1.26 -1.82 119.30 118.73 3n1q s MET 890 Ca 0.04 -0.90 -0.22 0.00 -1.25 0.00 0.00 55.69 53.35 3n1q s MET 890 Cb 0.05 -2.50 -0.06 0.00 2.84 0.00 0.00 34.83 35.16 3n1q s MET 890 CO -0.10 -0.58 0.67 0.42 -0.65 0.00 0.00 175.02 174.78 3n1q s ILE 891 N 1.45 4.81 0.31 10.11 1.01 -0.05 -4.93 121.20 133.90 3n1q s ILE 891 Ca -0.05 1.41 0.02 0.00 0.00 0.00 0.00 60.65 62.04 3n1q s ILE 891 Cb -0.18 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 3n1q s ILE 891 CO -0.07 0.41 0.09 0.61 0.00 0.00 0.00 174.94 175.98 3n1q n GLY 892 N 2.36 3.51 3.54 6.18 0.00 -1.26 -1.11 105.19 118.42 3n1q n GLY 892 Ca -0.05 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.71 -2.74 -4.02 1.61 8.25 -1.15 -4.94 115.22 111.52 3n1q n HIS 893 Ca -0.06 0.94 -0.22 0.00 -0.26 0.00 0.00 57.72 58.13 3n1q n HIS 893 Cb 0.45 -4.91 -0.03 0.00 1.12 0.00 0.00 29.99 26.62 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 -7.23 4.12 0.06 2.41 1.43 -0.69 -5.08 118.68 113.69 3n1q s LEU 894 Ca 0.56 -0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 3n1q s LEU 894 Cb -0.25 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 3n1q s LEU 894 CO 0.69 -0.04 0.89 -1.10 0.23 0.00 0.00 176.35 177.02 3n1q s GLN 895 N -3.82 4.60 0.17 1.70 -1.52 -1.26 -4.28 119.66 115.24 3n1q s GLN 895 Ca 0.33 1.30 -0.34 0.00 -1.95 0.00 0.00 55.36 54.71 3n1q s GLN 895 Cb -0.09 -3.40 -0.14 0.00 -0.22 0.00 0.00 33.01 29.16 3n1q s GLN 895 CO 0.27 0.17 1.48 -2.30 -0.25 0.00 0.00 175.29 174.66 3n1q n PRO 896 N 3.09 1.94 -1.73 2.91 -0.02 -1.00 -2.02 135.00 138.17 3n1q n PRO 896 Ca 0.02 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 3n1q n PRO 896 Cb 0.50 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3n1q n PRO 896 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3n1q n GLU 897 N 2.87 -0.82 -4.64 -0.52 2.13 -0.27 -4.99 120.64 114.40 3n1q n GLU 897 Ca 0.16 0.73 -0.33 0.00 0.66 0.00 0.00 57.16 58.37 3n1q n GLU 897 Cb 0.28 -4.76 -0.13 0.00 0.27 0.00 0.00 31.44 27.10 3n1q n GLU 897 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3n1q s THR 898 N -2.48 3.43 0.49 6.31 2.01 -0.85 -4.88 115.64 119.67 3n1q s THR 898 Ca 0.00 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 3n1q s THR 898 Cb 0.00 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 3n1q s THR 898 CO 0.00 0.53 0.97 -0.55 -0.69 0.00 0.00 174.62 174.88 3n1q s SER 899 N 0.08 6.71 0.01 3.53 0.15 -1.26 -2.24 113.70 120.68 3n1q s SER 899 Ca -0.03 1.59 -0.04 0.00 0.70 0.00 0.00 55.95 58.17 3n1q s SER 899 Cb -0.14 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 3n1q s SER 899 CO 0.04 -0.52 0.06 -0.31 1.20 0.00 0.00 173.24 173.70 3n1q s TYR 900 N -2.50 0.14 -0.12 3.44 1.51 0.94 -2.64 117.35 118.13 3n1q s TYR 900 Ca 0.60 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 56.22 3n1q s TYR 900 Cb -0.10 -0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 41.60 3n1q s TYR 900 CO 0.26 -0.23 0.30 -0.51 -1.11 0.00 0.00 175.55 174.27 3n1q s ASP 901 N -1.35 6.52 -0.18 2.29 1.01 0.19 -2.05 116.67 123.10 3n1q s ASP 901 Ca -0.15 0.61 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 3n1q s ASP 901 Cb -0.08 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.71 3n1q s ASP 901 CO 0.00 0.19 -0.02 -0.63 0.21 0.00 0.00 175.17 174.92 3n1q s ILE 902 N -0.09 0.94 0.08 0.77 1.01 0.83 -1.56 121.20 123.19 3n1q s ILE 902 Ca 0.18 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3n1q s ILE 902 Cb -0.14 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3n1q s ILE 902 CO 0.06 0.01 -0.09 -1.59 0.00 0.00 0.00 174.94 173.34 3n1q s LYS 903 N 1.69 0.76 0.23 2.79 -2.85 -1.04 0.06 119.74 121.38 3n1q s LYS 903 Ca -0.00 -1.10 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 3n1q s LYS 903 Cb -0.16 -0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 3n1q s LYS 903 CO -0.07 0.05 0.16 0.00 0.10 0.00 0.00 175.35 175.58 3n1q s MET 904 N -2.77 1.31 0.08 1.78 0.23 -1.26 -0.96 119.30 117.70 3n1q s MET 904 Ca 0.03 -1.70 -0.25 0.00 -1.03 0.00 0.00 55.69 52.74 3n1q s MET 904 Cb -0.02 0.27 0.07 0.00 -1.53 0.00 0.00 34.83 33.61 3n1q s MET 904 CO -0.01 -0.44 0.60 1.14 -2.03 0.00 0.00 175.02 174.29 3n1q s GLN 905 N -4.03 1.16 0.28 3.16 -2.07 -0.68 -0.33 119.66 117.15 3n1q s GLN 905 Ca 0.39 -0.22 0.04 0.00 -1.82 0.00 0.00 55.36 53.76 3n1q s GLN 905 Cb 0.06 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.49 3n1q s GLN 905 CO 0.15 -0.45 0.42 0.00 -1.32 0.00 0.00 175.29 174.09 3n1q s PHE 907 N -2.09 -0.14 0.00 0.00 -0.12 -0.54 -0.84 117.98 114.25 3n1q s PHE 907 Ca 0.37 0.23 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 3n1q s PHE 907 Cb -0.09 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 3n1q s PHE 907 CO 0.31 -0.32 0.00 0.27 -0.05 0.00 0.00 175.22 175.43 3n1q n ASN 908 N 1.59 0.46 0.26 1.98 0.23 -0.26 -1.37 115.26 118.15 3n1q n ASN 908 Ca -0.21 -0.84 0.10 0.00 -0.53 0.00 0.00 54.58 53.10 3n1q n ASN 908 Cb 0.56 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.95 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 0.00 0.20 -3.83 9.09 -2.02 -2.88 114.58 115.15 3n1q h GLU 909 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3n1q h GLU 909 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3n1q h GLU 909 CO 0.00 0.04 -0.10 0.78 0.05 0.00 0.00 179.01 179.78 3n1q h GLY 910 N 0.14 -0.29 0.00 1.06 0.00 -2.03 -3.50 103.07 98.46 3n1q h GLY 910 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3n1q h GLY 910 CO 0.01 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.05 3n1q n GLY 911 N -0.40 -0.82 3.19 4.60 0.00 -1.09 -5.15 105.19 105.51 3n1q n GLY 911 Ca -0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.59 1.32 0.81 1.61 8.01 -1.26 -1.10 118.70 127.51 3n1q s GLU 912 Ca 0.00 -0.74 -0.11 0.00 0.01 0.00 0.00 54.97 54.12 3n1q s GLU 912 Cb 0.00 -1.34 0.08 0.00 -4.31 0.00 0.00 34.13 28.56 3n1q s GLU 912 CO 0.00 0.35 1.09 -1.54 0.01 0.00 0.00 175.26 175.18 3n1q s SER 913 N -0.76 4.37 0.90 -0.19 1.04 -0.02 -5.00 113.70 114.03 3n1q s SER 913 Ca 0.06 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 57.75 3n1q s SER 913 Cb -0.08 -2.10 0.14 0.00 0.10 0.00 0.00 66.02 64.08 3n1q s SER 913 CO 0.00 -2.05 1.15 -1.61 0.98 0.00 0.00 173.24 171.71 3n1q s GLU 914 N -5.11 1.12 0.65 4.02 2.02 -1.26 -4.63 118.70 115.51 3n1q s GLU 914 Ca 0.61 1.57 -0.17 0.00 0.02 0.00 0.00 54.97 57.00 3n1q s GLU 914 Cb -0.15 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 3n1q s GLU 914 CO 0.55 -2.56 1.22 -0.06 0.02 0.00 0.00 175.26 174.43 3n1q s PHE 915 N -2.59 2.24 0.49 1.61 0.40 -1.26 -4.42 117.98 114.44 3n1q s PHE 915 Ca 0.67 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 58.47 3n1q s PHE 915 Cb -0.23 -3.51 0.11 0.00 0.51 0.00 0.00 43.02 39.90 3n1q s PHE 915 CO 0.57 -2.45 0.66 -1.13 0.70 0.00 0.00 175.22 173.57 3n1q n SER 916 N -2.03 0.18 -4.77 1.36 3.41 0.55 -4.87 113.62 107.45 3n1q n SER 916 Ca 0.14 -1.32 -0.41 0.00 -0.26 0.00 0.00 58.87 57.02 3n1q n SER 916 Cb 0.50 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3n1q n SER 916 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3n1q s ASN 917 N -3.46 6.50 -0.29 4.04 4.22 -1.26 -4.70 114.94 119.99 3n1q s ASN 917 Ca 0.38 2.84 -0.18 0.00 -2.14 0.00 0.00 52.86 53.77 3n1q s ASN 917 Cb -0.01 -2.66 -0.02 0.00 1.28 0.00 0.00 41.25 39.84 3n1q s ASN 917 CO 0.27 -0.74 0.52 -0.69 -2.04 0.00 0.00 177.10 174.42 3n1q s VAL 918 N -1.15 5.04 0.30 3.54 1.01 -1.26 -4.59 120.40 123.29 3n1q s VAL 918 Ca 0.52 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 3n1q s VAL 918 Cb -0.42 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3n1q s VAL 918 CO 0.57 -0.02 0.51 -0.04 0.00 0.00 0.00 175.10 176.12 3n1q s MET 919 N 2.36 3.52 -0.28 2.72 -1.94 0.11 -4.87 119.30 120.92 3n1q s MET 919 Ca 0.21 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 3n1q s MET 919 Cb -0.15 -2.70 0.08 0.00 2.01 0.00 0.00 34.83 34.07 3n1q s MET 919 CO 0.11 0.22 0.04 0.42 -0.01 0.00 0.00 175.02 175.80 3n1q s ILE 920 N -2.17 1.22 0.31 2.53 1.01 -1.26 -0.12 121.20 122.72 3n1q s ILE 920 Ca 0.40 -1.40 0.10 0.00 0.00 0.00 0.00 60.65 59.75 3n1q s ILE 920 Cb -0.10 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3n1q s ILE 920 CO 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 174.94 174.80 3n1q s GLU 922 N -3.68 0.63 0.91 0.00 2.12 -1.26 -0.04 118.70 117.37 3n1q s GLU 922 Ca 0.33 0.07 -0.12 0.00 0.36 0.00 0.00 54.97 55.62 3n1q s GLU 922 Cb -0.03 -0.93 0.09 0.00 0.26 0.00 0.00 34.13 33.52 3n1q s GLU 922 CO 0.19 -0.26 0.87 0.25 -0.54 0.00 0.00 175.26 175.77 3n1q n THR 923 N 4.94 0.30 1.06 -1.70 -2.24 -0.95 -4.62 114.28 111.07 3n1q n THR 923 Ca -0.11 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3n1q n THR 923 Cb 0.50 -0.88 0.50 0.00 -2.10 0.00 0.00 70.33 68.36 3n1q n THR 923 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79