#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab8 s GLU 876 N 0.00 4.12 -0.33 3.44 0.41 -1.26 -5.05 118.70 120.03 1ab8 s GLU 876 Ca 0.00 0.34 -0.25 0.00 -0.41 0.00 0.00 54.97 54.65 1ab8 s GLU 876 Cb 0.00 -3.34 0.01 0.00 -1.78 0.00 0.00 34.13 29.02 1ab8 s GLU 876 CO 0.00 0.42 0.88 -1.17 -0.49 0.00 0.00 175.26 174.90 1ab8 s LEU 877 N -0.18 4.04 -0.27 1.80 2.96 -1.26 -5.00 118.68 120.78 1ab8 s LEU 877 Ca 0.23 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.55 1ab8 s LEU 877 Cb -0.15 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1ab8 s LEU 877 CO 0.10 -0.74 1.77 -0.47 -1.32 0.00 0.00 176.35 175.69 1ab8 s TYR 878 N 3.25 1.84 0.04 5.38 6.14 -1.26 -4.98 117.35 127.76 1ab8 s TYR 878 Ca 0.36 0.54 -0.08 0.00 0.64 0.00 0.00 57.07 58.53 1ab8 s TYR 878 Cb -0.13 -4.07 0.00 0.00 0.42 0.00 0.00 41.96 38.18 1ab8 s TYR 878 CO 0.15 -3.15 0.17 -3.38 0.64 0.00 0.00 175.55 169.98 1ab8 s HIS 879 N 6.29 0.08 -0.20 4.97 -3.43 -1.26 -2.57 115.29 119.17 1ab8 s HIS 879 Ca 0.79 -0.31 -0.10 0.00 -0.80 0.00 0.00 55.06 54.64 1ab8 s HIS 879 Cb -0.25 -0.06 0.07 0.00 -1.43 0.00 0.00 32.58 30.92 1ab8 s HIS 879 CO 0.33 -0.40 0.48 -0.65 -2.00 0.00 0.00 174.74 172.49 1ab8 s GLN 880 N -2.47 0.45 0.11 -0.38 1.11 -0.96 -5.02 119.66 112.50 1ab8 s GLN 880 Ca -0.06 0.96 -0.04 0.00 0.01 0.00 0.00 55.36 56.23 1ab8 s GLN 880 Cb -0.02 0.13 -0.05 0.00 -1.01 0.00 0.00 33.01 32.06 1ab8 s GLN 880 CO -0.04 -0.18 0.33 0.45 0.01 0.00 0.00 175.29 175.87 1ab8 s SER 881 N 1.78 6.47 0.03 5.90 0.15 -1.26 -1.49 113.70 125.27 1ab8 s SER 881 Ca -0.08 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.12 1ab8 s SER 881 Cb -0.09 -2.07 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1ab8 s SER 881 CO -0.15 0.10 -0.08 -0.31 1.20 0.00 0.00 173.24 174.01 1ab8 s TYR 882 N -1.58 0.65 0.04 3.44 1.51 0.16 -4.98 117.35 116.60 1ab8 s TYR 882 Ca 0.38 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1ab8 s TYR 882 Cb -0.12 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1ab8 s TYR 882 CO 0.24 -0.06 -0.20 0.34 -1.11 0.00 0.00 175.55 174.76 1ab8 s ASP 883 N -1.20 3.65 -0.50 2.29 -1.08 -1.26 -0.27 116.67 118.30 1ab8 s ASP 883 Ca -0.06 -0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 51.36 1ab8 s ASP 883 Cb -0.08 -0.53 0.02 0.00 -1.46 0.00 0.00 42.92 40.87 1ab8 s ASP 883 CO 0.00 0.26 0.63 0.00 0.52 0.00 0.00 175.17 176.58 1ab8 s VAL 885 N -2.59 1.21 -0.25 0.00 -7.23 0.59 -4.75 120.40 107.38 1ab8 s VAL 885 Ca 0.21 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.59 1ab8 s VAL 885 Cb -0.05 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 1ab8 s VAL 885 CO 0.78 0.35 0.55 0.00 -0.31 0.00 0.00 175.10 176.48 1ab8 s VAL 887 N 2.26 3.00 -0.07 0.00 0.11 0.10 -1.33 120.40 124.47 1ab8 s VAL 887 Ca 0.23 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1ab8 s VAL 887 Cb -0.16 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1ab8 s VAL 887 CO 0.09 0.53 -0.20 -0.32 -3.33 0.00 0.00 175.10 171.87 1ab8 s MET 888 N 0.22 2.66 -0.39 1.54 1.75 -0.92 -2.27 119.30 121.90 1ab8 s MET 888 Ca -0.09 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 1ab8 s MET 888 Cb -0.15 -2.30 0.11 0.00 2.84 0.00 0.00 34.83 35.33 1ab8 s MET 888 CO 0.05 0.43 0.13 -0.06 -0.65 0.00 0.00 175.02 174.92 1ab8 s PHE 889 N -0.26 3.66 -0.53 4.11 0.08 -0.25 -2.85 117.98 121.94 1ab8 s PHE 889 Ca 0.00 -2.81 -0.16 0.00 0.12 0.00 0.00 56.93 54.07 1ab8 s PHE 889 Cb -0.13 -3.03 0.11 0.00 -0.57 0.00 0.00 43.02 39.40 1ab8 s PHE 889 CO 0.03 -0.94 0.50 0.00 -0.10 0.00 0.00 175.22 174.71 1ab8 s ALA 890 N 0.86 3.60 0.16 5.36 0.00 -0.08 -1.45 121.76 130.21 1ab8 s ALA 890 Ca 0.11 -2.39 0.08 0.00 0.00 0.00 0.00 51.96 49.75 1ab8 s ALA 890 Cb -0.21 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1ab8 s ALA 890 CO -0.06 -1.99 -0.05 -1.54 0.00 0.00 0.00 175.76 172.12 1ab8 s SER 891 N 3.36 4.54 -0.94 0.00 1.04 -0.82 -1.00 113.70 119.88 1ab8 s SER 891 Ca 0.04 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 1ab8 s SER 891 Cb -0.28 -0.89 0.24 0.00 0.10 0.00 0.00 66.02 65.19 1ab8 s SER 891 CO 0.04 0.11 0.87 -0.63 0.98 0.00 0.00 173.24 174.62 1ab8 s ILE 892 N -1.63 5.17 0.55 -1.02 1.01 -1.26 0.73 121.20 124.76 1ab8 s ILE 892 Ca 0.26 -3.34 0.41 0.00 0.00 0.00 0.00 60.65 57.97 1ab8 s ILE 892 Cb -0.09 -4.17 0.42 0.00 0.01 0.00 0.00 42.46 38.63 1ab8 s ILE 892 CO 0.17 -1.09 2.28 1.55 0.00 0.00 0.00 174.94 177.85 1ab8 h PRO 893 N 6.71 0.00 -0.00 2.79 0.13 -1.94 -2.75 132.00 136.93 1ab8 h PRO 893 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ab8 h PRO 893 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ab8 h PRO 893 CO 0.88 0.01 -0.32 -0.25 -0.23 0.00 0.00 178.00 178.09 1ab8 n ASP 894 N -3.19 0.75 0.26 1.44 8.00 -1.26 -4.19 116.55 118.35 1ab8 n ASP 894 Ca -0.02 -0.58 0.08 0.00 0.71 0.00 0.00 54.79 54.98 1ab8 n ASP 894 Cb 0.12 0.13 0.65 0.00 -0.02 0.00 0.00 41.12 42.00 1ab8 n ASP 894 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ab8 h PHE 895 N 0.67 0.00 0.00 1.24 3.04 -1.88 -1.87 116.94 118.14 1ab8 h PHE 895 Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1ab8 h PHE 895 Cb 0.49 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1ab8 h PHE 895 CO 0.00 0.03 -0.39 -0.22 -2.02 0.00 0.00 178.31 175.71 1ab8 h LYS 896 N 0.00 0.00 0.12 1.11 3.64 -1.80 -2.24 116.57 117.39 1ab8 h LYS 896 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1ab8 h LYS 896 Cb 0.06 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1ab8 h LYS 896 CO 0.00 0.39 -0.73 1.49 -2.27 0.00 0.00 179.45 178.34 1ab8 h GLU 897 N 0.00 0.29 0.14 1.90 4.81 -1.63 -3.38 114.58 116.71 1ab8 h GLU 897 Ca -0.00 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ab8 h GLU 897 Cb 0.80 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1ab8 h GLU 897 CO 0.05 1.21 -0.17 0.35 -0.73 0.00 0.00 179.01 179.72 1ab8 h PHE 898 N -0.39 -0.48 -0.67 0.92 3.04 -1.27 -3.43 116.94 114.67 1ab8 h PHE 898 Ca -0.12 0.01 -0.55 0.00 3.98 0.00 0.00 57.97 61.29 1ab8 h PHE 898 Cb 1.56 0.19 0.02 0.00 2.56 0.00 0.00 35.95 40.28 1ab8 h PHE 898 CO 0.20 -0.22 0.17 0.98 -2.02 0.00 0.00 178.31 177.42 1ab8 n TYR 899 N -3.36 0.66 0.00 0.41 4.19 -0.86 -4.90 117.16 113.30 1ab8 n TYR 899 Ca -0.04 0.73 0.00 0.00 3.31 0.00 0.00 57.90 61.90 1ab8 n TYR 899 Cb 0.15 -1.42 0.00 0.00 0.49 0.00 0.00 39.34 38.56 1ab8 n TYR 899 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1ab8 n THR 900 N 1.52 0.00 -2.43 2.97 -2.24 -1.26 -4.98 114.28 107.86 1ab8 n THR 900 Ca 0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1ab8 n THR 900 Cb 0.02 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1ab8 n THR 900 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ab8 n GLU 901 N -1.48 -2.28 0.00 -0.78 1.02 -1.26 -4.86 120.64 110.99 1ab8 n GLU 901 Ca 0.00 2.01 0.00 0.00 -0.02 0.00 0.00 57.16 59.15 1ab8 n GLU 901 Cb 0.18 -4.36 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 1ab8 n GLU 901 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ab8 n SER 902 N 0.20 0.00 0.00 1.62 2.88 -1.26 -4.72 113.62 112.34 1ab8 n SER 902 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ab8 n SER 902 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1ab8 n SER 902 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ab8 n ASP 903 N 0.00 0.00 -0.33 -3.46 9.92 -1.26 -2.23 116.55 119.19 1ab8 n ASP 903 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1ab8 n ASP 903 Cb 0.00 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.69 1ab8 n ASP 903 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1ab8 h VAL 904 N 0.00 1.08 0.00 2.53 2.07 -2.03 -3.05 116.25 116.85 1ab8 h VAL 904 Ca 0.00 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1ab8 h VAL 904 Cb 0.00 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 1ab8 h VAL 904 CO 0.00 0.20 -1.11 0.78 0.02 0.00 0.00 177.57 177.46 1ab8 h ASN 905 N 1.10 0.00 -0.72 0.57 2.35 -1.85 -3.48 115.58 113.54 1ab8 h ASN 905 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1ab8 h ASN 905 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ab8 h ASN 905 CO -0.16 0.55 0.00 0.29 -1.65 0.00 0.00 177.43 176.46 1ab8 n LYS 906 N -3.00 0.00 -3.47 0.81 5.02 -1.15 -0.94 118.16 115.42 1ab8 n LYS 906 Ca -0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1ab8 n LYS 906 Cb 0.80 -2.11 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1ab8 n LYS 906 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ab8 n GLU 907 N -0.47 -7.06 0.00 1.97 -0.58 -1.26 -3.02 120.64 110.21 1ab8 n GLU 907 Ca 0.00 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1ab8 n GLU 907 Cb 0.40 -5.79 0.00 0.00 -0.57 0.00 0.00 31.44 25.49 1ab8 n GLU 907 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ab8 n GLY 908 N -1.52 3.06 0.43 0.62 0.00 -1.26 -4.68 105.19 101.85 1ab8 n GLY 908 Ca -0.15 -0.50 0.26 0.00 0.00 0.00 0.00 46.02 45.63 1ab8 n GLY 908 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ab8 h LEU 909 N 0.00 0.37 -0.76 0.99 5.85 -1.64 0.21 115.31 120.33 1ab8 h LEU 909 Ca 0.00 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1ab8 h LEU 909 Cb 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ab8 h LEU 909 CO 0.00 0.04 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.46 1ab8 h GLU 910 N 0.30 0.54 -0.24 1.25 4.39 -1.31 -2.49 114.58 117.02 1ab8 h GLU 910 Ca 0.62 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 1ab8 h GLU 910 Cb 1.74 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1ab8 h GLU 910 CO -0.28 0.81 -0.09 0.00 -1.16 0.00 0.00 179.01 178.29 1ab8 h LEU 912 N 0.20 0.52 -0.66 0.00 3.38 -1.34 -0.18 115.31 117.23 1ab8 h LEU 912 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ab8 h LEU 912 Cb 0.58 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ab8 h LEU 912 CO 0.03 0.41 0.13 0.03 0.09 0.00 0.00 178.44 179.12 1ab8 h ARG 913 N 0.60 1.08 0.06 1.13 3.08 -1.29 0.63 114.38 119.68 1ab8 h ARG 913 Ca 0.16 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ab8 h ARG 913 Cb -0.01 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1ab8 h ARG 913 CO -0.03 0.98 -0.03 1.25 -1.07 0.00 0.00 179.97 181.08 1ab8 h LEU 914 N 1.00 -0.07 -0.81 3.04 5.85 -0.87 0.69 115.31 124.15 1ab8 h LEU 914 Ca 0.20 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1ab8 h LEU 914 Cb 0.41 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1ab8 h LEU 914 CO 0.01 0.17 0.49 0.25 -0.34 0.00 0.00 178.44 179.02 1ab8 h LEU 915 N -0.30 0.78 -1.40 2.25 5.85 -0.78 0.61 115.31 122.33 1ab8 h LEU 915 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ab8 h LEU 915 Cb 0.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ab8 h LEU 915 CO 0.01 0.51 0.06 -1.13 -0.34 0.00 0.00 178.44 177.56 1ab8 h ASN 916 N 0.92 0.42 -0.15 1.25 -0.00 0.53 -0.23 115.58 118.31 1ab8 h ASN 916 Ca 0.35 -0.06 -0.19 0.00 -0.00 0.00 0.00 56.30 56.40 1ab8 h ASN 916 Cb 0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1ab8 h ASN 916 CO -0.16 0.45 -0.63 -0.08 -0.00 0.00 0.00 177.43 177.00 1ab8 h GLU 917 N 0.46 0.77 -0.26 6.67 4.57 0.21 -1.57 114.58 125.42 1ab8 h GLU 917 Ca 0.11 -0.54 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1ab8 h GLU 917 Cb 0.20 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1ab8 h GLU 917 CO -0.00 1.16 -0.01 0.82 -1.18 0.00 0.00 179.01 179.79 1ab8 h ILE 918 N 0.57 1.26 -0.11 2.32 2.04 0.11 -2.50 117.51 121.19 1ab8 h ILE 918 Ca -0.01 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1ab8 h ILE 918 Cb 1.24 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1ab8 h ILE 918 CO 0.13 0.30 -0.11 0.40 0.00 0.00 0.00 178.15 178.87 1ab8 h ILE 919 N 0.24 1.35 0.00 -0.67 1.08 -1.10 -2.15 117.51 116.26 1ab8 h ILE 919 Ca 0.07 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1ab8 h ILE 919 Cb 0.44 1.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1ab8 h ILE 919 CO 0.02 0.36 -0.03 0.00 -0.69 0.00 0.00 178.15 177.81 1ab8 h ALA 920 N 0.59 1.47 0.07 1.87 0.00 -1.33 0.20 119.26 122.13 1ab8 h ALA 920 Ca 0.02 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1ab8 h ALA 920 Cb 0.63 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ab8 h ALA 920 CO 0.03 0.03 -1.13 -0.44 0.00 0.00 0.00 179.25 177.74 1ab8 h ASP 921 N 0.00 0.72 -0.28 0.00 3.32 -1.25 -2.68 116.42 116.25 1ab8 h ASP 921 Ca -0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 1ab8 h ASP 921 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ab8 h ASP 921 CO 0.00 1.46 0.07 -0.26 -1.72 0.00 0.00 179.24 178.79 1ab8 h PHE 922 N 0.25 0.48 -0.75 4.55 0.04 -0.49 -2.85 116.94 118.17 1ab8 h PHE 922 Ca -0.14 -0.06 0.08 0.00 2.80 0.00 0.00 57.97 60.65 1ab8 h PHE 922 Cb 1.80 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 39.77 1ab8 h PHE 922 CO 0.09 0.53 0.49 -0.44 -0.60 0.00 0.00 178.31 178.38 1ab8 h ASP 923 N 0.29 0.63 0.03 2.17 3.32 -1.04 -0.42 116.42 121.41 1ab8 h ASP 923 Ca 0.09 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ab8 h ASP 923 Cb 0.29 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ab8 h ASP 923 CO 0.00 0.39 -0.00 -0.78 -1.72 0.00 0.00 179.24 177.13 1ab8 h ASP 924 N 0.71 0.00 0.41 6.45 3.58 -1.22 -0.56 116.42 125.79 1ab8 h ASP 924 Ca 0.34 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.66 1ab8 h ASP 924 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1ab8 h ASP 924 CO -0.12 0.00 -0.57 -0.07 -2.88 0.00 0.00 179.24 175.61 1ab8 h LEU 925 N 0.00 0.18 -2.69 2.28 3.38 -1.13 -2.94 115.31 114.39 1ab8 h LEU 925 Ca -0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ab8 h LEU 925 Cb 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ab8 h LEU 925 CO 0.00 0.71 0.06 -0.07 0.09 0.00 0.00 178.44 179.23 1ab8 h LEU 926 N 0.12 0.00 0.00 1.67 3.38 -1.20 -0.07 115.31 119.22 1ab8 h LEU 926 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ab8 h LEU 926 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ab8 h LEU 926 CO 0.08 0.00 -0.06 -1.20 0.09 0.00 0.00 178.44 177.35 1ab8 n SER 927 N -3.30 0.22 -4.72 -0.43 7.64 -1.11 -4.44 113.62 107.49 1ab8 n SER 927 Ca -0.02 0.43 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 1ab8 n SER 927 Cb 0.13 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1ab8 n SER 927 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ab8 s LYS 928 N -3.02 4.51 0.38 1.43 -0.14 -0.04 -4.90 119.74 117.95 1ab8 s LYS 928 Ca 0.13 1.63 0.12 0.00 -1.36 0.00 0.00 55.97 56.48 1ab8 s LYS 928 Cb 0.17 -3.38 0.91 0.00 -1.68 0.00 0.00 37.83 33.85 1ab8 s LYS 928 CO 0.56 -0.12 1.86 -1.00 -0.76 0.00 0.00 175.35 175.90 1ab8 h PRO 929 N 6.52 0.58 -0.93 -1.68 0.13 -1.87 0.12 132.00 134.88 1ab8 h PRO 929 Ca -0.42 -0.03 0.27 0.00 -0.87 0.00 0.00 66.00 64.95 1ab8 h PRO 929 Cb 1.22 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1ab8 h PRO 929 CO 0.77 0.38 0.68 -0.22 -0.23 0.00 0.00 178.00 179.39 1ab8 h LYS 930 N 0.59 0.00 -0.01 0.86 3.64 -1.91 -0.74 116.57 118.99 1ab8 h LYS 930 Ca 0.45 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1ab8 h LYS 930 Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1ab8 h LYS 930 CO -0.20 0.00 -0.54 1.19 -2.27 0.00 0.00 179.45 177.63 1ab8 n PHE 931 N -4.21 0.05 0.30 1.91 3.72 0.41 -4.76 117.46 114.87 1ab8 n PHE 931 Ca 0.19 -1.45 0.18 0.00 -0.05 0.00 0.00 57.45 56.32 1ab8 n PHE 931 Cb 1.01 -0.25 0.91 0.00 -0.94 0.00 0.00 39.48 40.22 1ab8 n PHE 931 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ab8 h SER 932 N 1.02 0.00 0.01 4.37 4.64 -0.86 -1.15 113.55 121.58 1ab8 h SER 932 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ab8 h SER 932 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ab8 h SER 932 CO 0.02 0.04 -0.02 0.61 -0.87 0.00 0.00 176.83 176.60 1ab8 n GLY 933 N -0.68 -0.13 3.80 -0.77 0.00 -1.26 -4.86 105.19 101.30 1ab8 n GLY 933 Ca -0.02 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1ab8 n GLY 933 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab8 s VAL 934 N -2.05 4.66 -0.12 1.61 1.01 -0.44 -4.24 120.40 120.83 1ab8 s VAL 934 Ca 0.37 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1ab8 s VAL 934 Cb 0.21 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1ab8 s VAL 934 CO 0.35 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 175.22 1ab8 s GLU 935 N -1.11 1.63 -0.08 2.72 2.56 -0.02 -4.93 118.70 119.47 1ab8 s GLU 935 Ca 0.30 -0.32 -0.30 0.00 0.00 0.00 0.00 54.97 54.66 1ab8 s GLU 935 Cb -0.20 -1.70 -0.02 0.00 2.00 0.00 0.00 34.13 34.22 1ab8 s GLU 935 CO 0.21 -0.28 1.00 0.21 -0.56 0.00 0.00 175.26 175.84 1ab8 s LYS 936 N 1.67 4.45 -0.14 4.30 2.20 -1.26 0.20 119.74 131.17 1ab8 s LYS 936 Ca 0.05 1.39 -0.13 0.00 -0.36 0.00 0.00 55.97 56.92 1ab8 s LYS 936 Cb -0.13 -3.52 -0.11 0.00 -1.51 0.00 0.00 37.83 32.56 1ab8 s LYS 936 CO -0.09 -0.26 0.21 0.82 -0.36 0.00 0.00 175.35 175.68 1ab8 h ILE 937 N 5.03 0.64 0.00 5.43 1.08 -1.15 -3.48 117.51 125.05 1ab8 h ILE 937 Ca -0.33 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 1ab8 h ILE 937 Cb 1.16 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 1ab8 h ILE 937 CO 0.83 0.22 0.00 0.29 -0.69 0.00 0.00 178.15 178.80 1ab8 n LYS 938 N -4.64 -2.16 -4.75 2.37 5.02 -1.17 -4.96 118.16 107.86 1ab8 n LYS 938 Ca -0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.94 1ab8 n LYS 938 Cb 0.30 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.16 1ab8 n LYS 938 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ab8 s THR 939 N -2.53 1.65 -0.54 -0.18 -4.23 -1.26 -1.16 115.64 107.38 1ab8 s THR 939 Ca 0.00 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1ab8 s THR 939 Cb 0.00 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.56 1ab8 s THR 939 CO 0.00 0.28 0.33 -0.63 -0.54 0.00 0.00 174.62 174.06 1ab8 s ILE 940 N -0.70 3.36 0.00 2.99 1.01 0.54 -4.94 121.20 123.45 1ab8 s ILE 940 Ca 0.08 -2.76 0.00 0.00 0.00 0.00 0.00 60.65 57.96 1ab8 s ILE 940 Cb -0.09 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1ab8 s ILE 940 CO 0.01 -0.81 0.00 0.61 0.00 0.00 0.00 174.94 174.75 1ab8 n GLY 941 N 3.74 2.12 0.51 6.18 0.00 -1.26 -1.57 105.19 114.90 1ab8 n GLY 941 Ca 0.05 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1ab8 n GLY 941 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ab8 n SER 942 N 10.10 2.01 -4.74 1.61 3.41 -1.26 -4.93 113.62 119.82 1ab8 n SER 942 Ca 0.00 -1.51 -0.40 0.00 -0.26 0.00 0.00 58.87 56.70 1ab8 n SER 942 Cb 0.00 0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1ab8 n SER 942 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ab8 s THR 943 N -2.20 4.21 -0.16 6.66 2.01 -0.61 -4.36 115.64 121.18 1ab8 s THR 943 Ca 0.18 2.08 -0.05 0.00 0.31 0.00 0.00 61.69 64.21 1ab8 s THR 943 Cb 0.16 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1ab8 s THR 943 CO 0.48 0.44 -0.00 -0.47 -0.69 0.00 0.00 174.62 174.38 1ab8 s TYR 944 N -0.80 3.11 -0.15 4.92 5.04 -0.17 -0.34 117.35 128.96 1ab8 s TYR 944 Ca 0.43 -0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.94 1ab8 s TYR 944 Cb -0.25 -1.98 0.02 0.00 0.35 0.00 0.00 41.96 40.09 1ab8 s TYR 944 CO 0.31 0.07 -0.20 1.41 -1.34 0.00 0.00 175.55 175.80 1ab8 s MET 945 N 0.26 2.85 0.32 4.97 -2.45 -0.31 -0.91 119.30 124.04 1ab8 s MET 945 Ca -0.01 -0.78 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 1ab8 s MET 945 Cb -0.13 -2.39 -0.04 0.00 1.25 0.00 0.00 34.83 33.52 1ab8 s MET 945 CO 0.02 -0.11 0.15 0.00 1.05 0.00 0.00 175.02 176.13 1ab8 s ALA 946 N 1.07 2.12 -0.28 4.11 0.00 -1.13 -0.55 121.76 127.10 1ab8 s ALA 946 Ca -0.02 -1.71 -0.25 0.00 0.00 0.00 0.00 51.96 49.98 1ab8 s ALA 946 Cb -0.14 1.08 0.13 0.00 0.00 0.00 0.00 23.12 24.18 1ab8 s ALA 946 CO -0.07 -0.48 1.07 0.00 0.00 0.00 0.00 175.76 176.29 1ab8 s ALA 947 N -3.52 -2.00 -0.06 0.00 0.00 0.13 -2.16 121.76 114.15 1ab8 s ALA 947 Ca 0.34 1.84 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 1ab8 s ALA 947 Cb 0.05 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1ab8 s ALA 947 CO 0.17 -0.23 0.00 0.95 0.00 0.00 0.00 175.76 176.66 1ab8 s THR 948 N 0.13 4.27 0.00 0.00 -4.23 -0.44 -0.84 115.64 114.53 1ab8 s THR 948 Ca 0.03 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1ab8 s THR 948 Cb -0.05 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1ab8 s THR 948 CO -0.07 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 1ab8 n GLY 949 N 1.87 1.00 0.16 3.99 0.00 -1.26 -0.56 105.19 110.39 1ab8 n GLY 949 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ab8 n GLY 949 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab8 n LEU 950 N 0.00 0.25 -2.66 0.99 4.77 -1.26 -4.84 117.00 114.25 1ab8 n LEU 950 Ca 0.00 -0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 1ab8 n LEU 950 Cb 0.00 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1ab8 n LEU 950 CO 0.00 0.06 -0.60 -1.20 -1.33 0.00 0.00 177.39 174.32 1ab8 n SER 951 N -0.29 -1.36 0.00 -1.43 7.64 -1.26 -5.14 113.62 111.77 1ab8 n SER 951 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1ab8 n SER 951 Cb 0.06 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 1ab8 n SER 951 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ab8 n GLN 965 N 1.79 0.00 0.00 1.43 3.00 -1.26 -5.21 117.38 117.12 1ab8 n GLN 965 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1ab8 n GLN 965 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.81 1ab8 n GLN 965 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ab8 n TYR 966 N 0.00 0.00 -0.01 1.08 4.11 -1.26 -4.94 117.16 116.14 1ab8 n TYR 966 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1ab8 n TYR 966 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1ab8 n TYR 966 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ab8 h MET 967 N 0.00 0.07 0.00 -3.48 -0.00 -1.99 0.23 114.93 109.76 1ab8 h MET 967 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ab8 h MET 967 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.58 1ab8 h MET 967 CO 0.00 0.04 0.00 -2.39 -0.00 0.00 0.00 176.91 174.56 1ab8 n HIS 968 N -5.09 0.57 0.02 -0.10 -0.00 -1.26 -0.11 115.22 109.25 1ab8 n HIS 968 Ca -0.04 0.26 -0.07 0.00 -0.00 0.00 0.00 57.72 57.87 1ab8 n HIS 968 Cb 0.06 -0.92 -0.13 0.00 -0.00 0.00 0.00 29.99 29.01 1ab8 n HIS 968 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1ab8 h ILE 969 N 0.00 1.23 0.00 0.61 2.04 -1.37 -3.10 117.51 116.92 1ab8 h ILE 969 Ca 0.00 -3.00 -0.12 0.00 1.00 0.00 0.00 64.86 62.75 1ab8 h ILE 969 Cb 0.14 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1ab8 h ILE 969 CO 0.00 0.70 -0.57 1.23 0.00 0.00 0.00 178.15 179.51 1ab8 h GLY 970 N 3.29 0.00 1.52 5.37 0.00 0.75 -3.17 103.07 110.81 1ab8 h GLY 970 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1ab8 h GLY 970 CO 0.10 0.00 -0.47 -0.84 0.00 0.00 0.00 176.54 175.33 1ab8 h THR 971 N 0.00 1.31 -0.04 4.70 2.02 -1.08 -2.61 112.91 117.22 1ab8 h THR 971 Ca -0.01 -1.68 -0.07 0.00 0.77 0.00 0.00 66.41 65.42 1ab8 h THR 971 Cb 1.38 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1ab8 h THR 971 CO 0.07 0.52 -0.30 -0.03 0.37 0.00 0.00 175.52 176.16 1ab8 h MET 972 N 0.42 0.07 0.00 6.66 -1.53 -1.51 -1.10 114.93 117.93 1ab8 h MET 972 Ca 0.02 -0.02 -0.21 0.00 -3.44 0.00 0.00 59.70 56.06 1ab8 h MET 972 Cb 0.99 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.02 1ab8 h MET 972 CO 0.09 0.37 -0.90 0.28 0.14 0.00 0.00 176.91 176.89 1ab8 h VAL 973 N 0.06 1.47 -0.07 -5.77 2.07 -1.53 -2.52 116.25 109.97 1ab8 h VAL 973 Ca 0.01 -2.59 -0.13 0.00 0.82 0.00 0.00 66.70 64.81 1ab8 h VAL 973 Cb 0.56 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1ab8 h VAL 973 CO 0.04 0.76 -0.53 -0.33 0.02 0.00 0.00 177.57 177.53 1ab8 h GLU 974 N 0.14 0.20 -0.23 1.57 4.39 -1.07 -2.05 114.58 117.52 1ab8 h GLU 974 Ca -0.05 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.35 1ab8 h GLU 974 Cb 1.53 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1ab8 h GLU 974 CO 0.14 0.68 -0.56 0.35 -1.16 0.00 0.00 179.01 178.46 1ab8 h PHE 975 N 0.16 0.91 -0.16 4.33 3.57 -1.16 -1.59 116.94 122.99 1ab8 h PHE 975 Ca 0.00 -0.33 -0.13 0.00 3.53 0.00 0.00 57.97 61.04 1ab8 h PHE 975 Cb 0.99 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1ab8 h PHE 975 CO 0.02 1.12 -0.48 0.00 -2.23 0.00 0.00 178.31 176.74 1ab8 h ALA 976 N 0.81 0.89 -0.41 2.41 0.00 -1.32 -0.17 119.26 121.46 1ab8 h ALA 976 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1ab8 h ALA 976 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ab8 h ALA 976 CO 0.12 0.66 0.05 1.88 0.00 0.00 0.00 179.25 181.96 1ab8 h TYR 977 N 0.33 0.74 0.00 0.00 0.05 -1.30 -2.09 116.97 114.70 1ab8 h TYR 977 Ca 0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1ab8 h TYR 977 Cb 0.96 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 1ab8 h TYR 977 CO 0.03 0.73 -0.08 0.00 -1.05 0.00 0.00 178.16 177.79 1ab8 h ALA 978 N 0.92 1.73 -0.14 3.88 0.00 -0.76 -1.03 119.26 123.86 1ab8 h ALA 978 Ca 0.12 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1ab8 h ALA 978 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ab8 h ALA 978 CO 0.01 0.10 -0.73 -0.07 0.00 0.00 0.00 179.25 178.56 1ab8 h LEU 979 N 0.00 0.77 -0.09 0.00 3.38 -0.52 -2.77 115.31 116.07 1ab8 h LEU 979 Ca -0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ab8 h LEU 979 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ab8 h LEU 979 CO 0.01 1.26 0.04 0.58 0.09 0.00 0.00 178.44 180.43 1ab8 h VAL 980 N 0.46 1.13 0.00 1.22 2.07 -0.57 -0.42 116.25 120.14 1ab8 h VAL 980 Ca -0.04 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ab8 h VAL 980 Cb 1.33 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1ab8 h VAL 980 CO 0.14 0.12 -0.02 1.23 0.02 0.00 0.00 177.57 179.06 1ab8 h GLY 981 N 0.01 0.00 1.85 2.17 0.00 -1.35 0.38 103.07 106.12 1ab8 h GLY 981 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 1ab8 h GLY 981 CO -0.00 0.00 -1.10 1.70 0.00 0.00 0.00 176.54 177.14 1ab8 h LYS 982 N 0.00 0.10 -0.19 4.80 1.63 -1.15 -2.38 116.57 119.38 1ab8 h LYS 982 Ca -0.00 -0.16 -0.12 0.00 -0.85 0.00 0.00 60.65 59.51 1ab8 h LYS 982 Cb 0.03 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1ab8 h LYS 982 CO 0.00 1.07 -0.41 1.25 -3.45 0.00 0.00 179.45 177.91 1ab8 h LEU 983 N 0.03 0.46 -0.04 5.20 6.46 -0.10 -2.90 115.31 124.41 1ab8 h LEU 983 Ca -0.06 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1ab8 h LEU 983 Cb 1.85 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1ab8 h LEU 983 CO 0.15 0.82 -0.00 0.44 -0.62 0.00 0.00 178.44 179.23 1ab8 h ASP 984 N 0.36 0.08 -0.13 1.25 3.32 -0.90 -0.44 116.42 119.96 1ab8 h ASP 984 Ca 0.03 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.79 1ab8 h ASP 984 Cb 0.87 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1ab8 h ASP 984 CO 0.07 0.39 0.21 0.00 -1.72 0.00 0.00 179.24 178.19 1ab8 h ALA 985 N 0.69 1.59 0.07 3.45 0.00 -1.37 -0.59 119.26 123.09 1ab8 h ALA 985 Ca 0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1ab8 h ALA 985 Cb 0.35 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ab8 h ALA 985 CO 0.00 -0.28 -1.61 0.82 0.00 0.00 0.00 179.25 178.19 1ab8 h ILE 986 N 0.00 1.02 -0.25 0.00 2.04 -1.23 -3.21 117.51 115.88 1ab8 h ILE 986 Ca 0.06 -2.76 -0.08 0.00 1.00 0.00 0.00 64.86 63.08 1ab8 h ILE 986 Cb 0.48 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1ab8 h ILE 986 CO -0.00 0.73 -0.18 0.78 0.00 0.00 0.00 178.15 179.48 1ab8 h ASN 987 N 0.04 0.43 0.75 1.72 -0.26 0.48 -0.50 115.58 118.23 1ab8 h ASN 987 Ca -0.26 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1ab8 h ASN 987 Cb 1.99 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 39.14 1ab8 h ASN 987 CO 0.12 0.63 -0.18 2.29 -1.06 0.00 0.00 177.43 179.23 1ab8 n LYS 988 N -4.18 0.09 -0.07 0.81 2.85 -0.84 -0.67 118.16 116.15 1ab8 n LYS 988 Ca 0.00 -0.03 -0.06 0.00 -1.05 0.00 0.00 58.31 57.18 1ab8 n LYS 988 Cb 0.35 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.10 1ab8 n LYS 988 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ab8 n HIS 989 N -1.43 0.00 0.15 5.58 8.25 -1.06 -4.47 115.22 122.23 1ab8 n HIS 989 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1ab8 n HIS 989 Cb 0.33 -0.72 0.18 0.00 1.12 0.00 0.00 29.99 30.90 1ab8 n HIS 989 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ab8 n SER 990 N -2.52 3.14 -3.64 0.41 3.41 -0.22 -4.98 113.62 109.21 1ab8 n SER 990 Ca -0.23 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.26 1ab8 n SER 990 Cb 0.94 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 64.71 1ab8 n SER 990 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ab8 n PHE 991 N 1.13 -1.97 -4.43 7.33 3.72 -0.59 -5.00 117.46 117.66 1ab8 n PHE 991 Ca 0.16 0.82 -0.21 0.00 -0.05 0.00 0.00 57.45 58.17 1ab8 n PHE 991 Cb 0.51 -4.36 -0.10 0.00 -0.94 0.00 0.00 39.48 34.59 1ab8 n PHE 991 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1ab8 s ASN 992 N -4.22 2.58 -0.47 4.37 -0.87 0.16 -5.04 114.94 111.45 1ab8 s ASN 992 Ca 0.07 -1.25 0.09 0.00 -1.57 0.00 0.00 52.86 50.20 1ab8 s ASN 992 Cb -0.02 -0.13 0.36 0.00 -0.02 0.00 0.00 41.25 41.44 1ab8 s ASN 992 CO 0.80 -0.43 0.87 -0.67 -2.57 0.00 0.00 177.10 175.10 1ab8 n ASP 993 N -0.60 2.86 -4.79 -1.22 2.03 -1.26 -4.43 116.55 109.14 1ab8 n ASP 993 Ca -0.05 -3.36 -0.35 0.00 0.52 0.00 0.00 54.79 51.55 1ab8 n ASP 993 Cb 0.64 -0.57 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 1ab8 n ASP 993 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ab8 s PHE 994 N -3.04 3.26 -0.03 -0.67 0.08 -1.26 -5.07 117.98 111.25 1ab8 s PHE 994 Ca 0.44 1.64 0.03 0.00 0.12 0.00 0.00 56.93 59.16 1ab8 s PHE 994 Cb 0.33 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1ab8 s PHE 994 CO -0.11 -0.48 -0.11 0.15 -0.10 0.00 0.00 175.22 174.57 1ab8 s LYS 995 N -2.75 1.18 0.05 0.44 1.02 -1.26 -4.89 119.74 113.54 1ab8 s LYS 995 Ca 0.60 -0.38 -0.20 0.00 0.02 0.00 0.00 55.97 56.01 1ab8 s LYS 995 Cb -0.18 -1.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.99 1ab8 s LYS 995 CO 0.23 0.14 0.58 -0.51 -0.92 0.00 0.00 175.35 174.87 1ab8 s LEU 996 N 0.17 4.49 -0.38 3.17 1.43 -1.26 -4.23 118.68 122.06 1ab8 s LEU 996 Ca -0.03 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 1ab8 s LEU 996 Cb -0.09 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.33 1ab8 s LEU 996 CO 0.01 0.22 0.13 -0.60 0.23 0.00 0.00 176.35 176.34 1ab8 s ARG 997 N -0.82 1.36 0.11 1.70 3.52 0.22 0.26 118.95 125.31 1ab8 s ARG 997 Ca 0.30 -1.85 -0.15 0.00 -0.13 0.00 0.00 55.73 53.90 1ab8 s ARG 997 Cb -0.19 -2.79 -0.07 0.00 -1.56 0.00 0.00 34.95 30.34 1ab8 s ARG 997 CO 0.19 -1.02 0.53 0.08 -0.81 0.00 0.00 175.30 174.26 1ab8 s VAL 998 N 0.76 4.87 -0.15 7.11 1.01 -0.82 -1.95 120.40 131.24 1ab8 s VAL 998 Ca 0.13 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1ab8 s VAL 998 Cb -0.21 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ab8 s VAL 998 CO -0.09 0.33 -0.03 -0.83 0.00 0.00 0.00 175.10 174.48 1ab8 s GLY 999 N -1.55 0.80 0.06 4.51 0.00 -0.53 -1.27 107.32 109.34 1ab8 s GLY 999 Ca 0.34 -0.64 0.09 0.00 0.00 0.00 0.00 44.72 44.52 1ab8 s GLY 999 CO 0.18 1.05 -0.24 -0.42 0.00 0.00 0.00 173.10 173.68 1ab8 s ILE 1000N 1.75 2.39 -0.06 0.90 1.01 -0.71 -1.09 121.20 125.39 1ab8 s ILE 1000Ca 0.02 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 58.97 1ab8 s ILE 1000Cb -0.15 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.41 1ab8 s ILE 1000CO -0.07 0.31 0.69 0.21 0.00 0.00 0.00 174.94 176.07 1ab8 s ASN 1001N -1.46 -0.66 0.24 3.58 3.04 -0.96 -3.96 114.94 114.76 1ab8 s ASN 1001Ca 0.13 0.74 0.10 0.00 0.04 0.00 0.00 52.86 53.87 1ab8 s ASN 1001Cb -0.10 0.57 -0.05 0.00 -1.54 0.00 0.00 41.25 40.13 1ab8 s ASN 1001CO 0.04 -0.59 -0.17 -1.38 -3.04 0.00 0.00 177.10 171.96 1ab8 s HIS 1002N -1.12 2.01 -5.00 0.43 -3.43 -1.26 0.02 115.29 106.93 1ab8 s HIS 1002Ca -0.10 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 1ab8 s HIS 1002Cb -0.00 -0.90 0.00 0.00 -1.43 0.00 0.00 32.58 30.25 1ab8 s HIS 1002CO 0.09 0.54 0.00 0.41 -2.00 0.00 0.00 174.74 173.78 1ab8 n GLY 1003N -0.51 -0.87 3.77 -1.38 0.00 -0.45 -4.86 105.19 100.89 1ab8 n GLY 1003Ca -0.06 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1ab8 n GLY 1003CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ab8 s PRO 1004N -1.87 3.93 0.07 1.61 0.02 -1.26 -0.30 135.00 137.20 1ab8 s PRO 1004Ca 0.00 1.90 -0.11 0.00 0.02 0.00 0.00 61.00 62.81 1ab8 s PRO 1004Cb 0.00 -2.61 0.01 0.00 0.02 0.00 0.00 34.50 31.92 1ab8 s PRO 1004CO 0.00 -0.45 0.24 0.08 -0.33 0.00 0.00 177.00 176.55 1ab8 s VAL 1005N -1.41 0.11 -0.26 3.83 1.01 0.63 -4.32 120.40 120.00 1ab8 s VAL 1005Ca 0.59 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1ab8 s VAL 1005Cb -0.32 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 34.98 1ab8 s VAL 1005CO 0.40 -0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 174.27 1ab8 s ILE 1006N -3.29 1.97 0.31 2.22 1.01 -0.79 -0.66 121.20 121.97 1ab8 s ILE 1006Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1ab8 s ILE 1006Cb 0.02 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.25 1ab8 s ILE 1006CO -0.08 -0.08 0.74 0.00 0.00 0.00 0.00 174.94 175.52 1ab8 s ALA 1007N 1.18 3.33 -0.26 9.38 0.00 -0.56 -0.12 121.76 134.72 1ab8 s ALA 1007Ca -0.07 0.08 -0.38 0.00 0.00 0.00 0.00 51.96 51.60 1ab8 s ALA 1007Cb -0.20 -2.80 0.16 0.00 0.00 0.00 0.00 23.12 20.29 1ab8 s ALA 1007CO -0.06 0.32 1.40 0.20 0.00 0.00 0.00 175.76 177.63 1ab8 s GLY 1008N -2.13 -0.25 -0.17 0.00 0.00 -1.07 -2.26 107.32 101.43 1ab8 s GLY 1008Ca 0.52 1.75 -0.05 0.00 0.00 0.00 0.00 44.72 46.94 1ab8 s GLY 1008CO 0.18 0.56 0.01 0.14 0.00 0.00 0.00 173.10 173.98 1ab8 s VAL 1009N -2.01 4.29 0.05 1.40 1.01 -1.06 -1.46 120.40 122.61 1ab8 s VAL 1009Ca 0.12 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ab8 s VAL 1009Cb 0.01 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ab8 s VAL 1009CO -0.03 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 174.70 1ab8 s ILE 1010N 0.35 2.48 0.00 2.22 1.09 -1.14 -4.36 121.20 121.83 1ab8 s ILE 1010Ca -0.01 -1.30 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 1ab8 s ILE 1010Cb -0.13 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.25 1ab8 s ILE 1010CO 0.02 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.81 1ab8 n GLY 1011N 1.62 -0.40 0.17 6.18 0.00 -1.26 -3.31 105.19 108.19 1ab8 n GLY 1011Ca -0.17 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 1ab8 n GLY 1011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab8 h ALA 1012N 0.00 -0.34 -2.41 4.61 0.00 -2.00 -3.36 119.26 115.76 1ab8 h ALA 1012Ca 0.00 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 1ab8 h ALA 1012Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ab8 h ALA 1012CO 0.00 -0.32 0.32 -1.14 0.00 0.00 0.00 179.25 178.11 1ab8 s GLN 1013N -2.72 4.50 -1.13 0.00 2.00 -1.26 -4.22 119.66 116.84 1ab8 s GLN 1013Ca -0.06 1.25 -0.27 0.00 -2.00 0.00 0.00 55.36 54.28 1ab8 s GLN 1013Cb 0.00 -2.73 0.04 0.00 0.80 0.00 0.00 33.01 31.12 1ab8 s GLN 1013CO 0.18 0.25 0.67 1.63 -0.50 0.00 0.00 175.29 177.52 1ab8 n LYS 1014N 0.42 -0.54 -1.82 1.67 5.02 -1.26 -4.87 118.16 116.77 1ab8 n LYS 1014Ca 0.02 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1ab8 n LYS 1014Cb 0.51 -2.52 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 1ab8 n LYS 1014CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1ab8 s PRO 1015N -6.86 4.17 -0.04 1.97 0.02 -1.26 -4.97 135.00 128.02 1ab8 s PRO 1015Ca 0.39 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.97 1ab8 s PRO 1015Cb -0.21 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1ab8 s PRO 1015CO 0.95 -0.70 -0.24 1.14 -0.33 0.00 0.00 177.00 177.83 1ab8 s GLN 1016N 1.31 2.34 -0.61 5.54 -2.07 -1.21 -4.95 119.66 120.01 1ab8 s GLN 1016Ca 0.73 -0.89 -0.22 0.00 -1.82 0.00 0.00 55.36 53.16 1ab8 s GLN 1016Cb -0.47 -2.14 0.07 0.00 -1.09 0.00 0.00 33.01 29.39 1ab8 s GLN 1016CO 0.32 0.49 0.89 -0.47 -1.32 0.00 0.00 175.29 175.20 1ab8 s TYR 1017N -0.44 2.78 0.23 9.60 6.14 -1.26 -2.89 117.35 131.50 1ab8 s TYR 1017Ca 0.05 -0.52 0.03 0.00 0.64 0.00 0.00 57.07 57.27 1ab8 s TYR 1017Cb -0.12 -4.14 0.03 0.00 0.42 0.00 0.00 41.96 38.16 1ab8 s TYR 1017CO 0.01 -1.48 0.26 -3.47 0.64 0.00 0.00 175.55 171.50 1ab8 n ASP 1018N 7.31 1.21 -3.80 4.32 -0.08 -0.54 -4.89 116.55 120.08 1ab8 n ASP 1018Ca -0.04 -1.68 -0.28 0.00 -1.51 0.00 0.00 54.79 51.28 1ab8 n ASP 1018Cb 0.45 -0.11 -0.16 0.00 2.34 0.00 0.00 41.12 43.64 1ab8 n ASP 1018CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ab8 s ILE 1019N -0.73 0.77 0.31 5.18 -1.09 -1.26 -2.59 121.20 121.79 1ab8 s ILE 1019Ca 0.20 -0.59 0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1ab8 s ILE 1019Cb -0.02 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 1ab8 s ILE 1019CO 0.12 -0.07 0.25 0.26 -1.23 0.00 0.00 174.94 174.27 1ab8 s TRP 1020N 1.76 2.95 -3.76 3.97 0.52 0.83 -4.94 118.94 120.27 1ab8 s TRP 1020Ca -0.01 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1ab8 s TRP 1020Cb -0.16 -1.66 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1ab8 s TRP 1020CO -0.07 0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.61 1ab8 n GLY 1021N -1.29 0.92 0.08 0.98 0.00 -1.26 -1.88 105.19 102.74 1ab8 n GLY 1021Ca -0.04 -2.03 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 1ab8 n GLY 1021CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ab8 n ASN 1022N 2.25 0.78 0.24 1.61 4.13 -1.26 -2.85 115.26 120.17 1ab8 n ASN 1022Ca 0.00 0.36 0.11 0.00 1.68 0.00 0.00 54.58 56.74 1ab8 n ASN 1022Cb 0.00 0.12 0.61 0.00 -1.54 0.00 0.00 39.78 38.97 1ab8 n ASN 1022CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1ab8 h THR 1023N 0.00 0.57 0.00 3.41 1.35 -1.90 -0.23 112.91 116.11 1ab8 h THR 1023Ca -0.28 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 1ab8 h THR 1023Cb 1.92 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1ab8 h THR 1023CO 0.07 0.17 -0.07 0.58 -0.25 0.00 0.00 175.52 176.01 1ab8 h VAL 1024N 0.00 1.29 -0.02 6.82 2.07 -1.87 0.44 116.25 124.99 1ab8 h VAL 1024Ca -0.00 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1ab8 h VAL 1024Cb 0.51 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1ab8 h VAL 1024CO 0.02 0.44 0.03 -1.13 0.02 0.00 0.00 177.57 176.96 1ab8 h ASN 1025N -1.00 0.00 0.33 0.57 -1.24 -1.37 0.19 115.58 113.06 1ab8 h ASN 1025Ca -0.02 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.66 1ab8 h ASN 1025Cb 0.77 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1ab8 h ASN 1025CO -0.01 0.00 -1.63 0.58 -1.29 0.00 0.00 177.43 175.08 1ab8 h VAL 1026N 0.00 1.06 -0.36 2.57 2.07 -0.96 -1.28 116.25 119.35 1ab8 h VAL 1026Ca 0.01 -2.67 0.03 0.00 0.82 0.00 0.00 66.70 64.90 1ab8 h VAL 1026Cb 0.08 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1ab8 h VAL 1026CO -0.00 0.83 0.16 0.00 0.02 0.00 0.00 177.57 178.58 1ab8 h ALA 1027N 0.31 0.44 -0.63 1.67 0.00 0.48 0.97 119.26 122.49 1ab8 h ALA 1027Ca -0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ab8 h ALA 1027Cb 2.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1ab8 h ALA 1027CO 0.18 -0.23 0.39 1.03 0.00 0.00 0.00 179.25 180.62 1ab8 h SER 1028N 0.33 0.75 -0.10 0.00 0.87 -0.74 -1.96 113.55 112.71 1ab8 h SER 1028Ca 0.16 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1ab8 h SER 1028Cb 0.10 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1ab8 h SER 1028CO -0.14 0.58 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.65 1ab8 h ARG 1029N 0.86 0.28 -0.66 2.24 2.43 0.02 -0.45 114.38 119.10 1ab8 h ARG 1029Ca 0.23 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1ab8 h ARG 1029Cb -0.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1ab8 h ARG 1029CO -0.04 0.31 0.23 0.52 -1.51 0.00 0.00 179.97 179.47 1ab8 h MET 1030N 0.27 1.00 0.35 0.20 2.86 -0.09 -1.99 114.93 117.53 1ab8 h MET 1030Ca 0.06 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1ab8 h MET 1030Cb 0.20 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1ab8 h MET 1030CO 0.00 0.84 -0.17 0.22 1.06 0.00 0.00 176.91 178.87 1ab8 h ASP 1031N 0.97 -0.40 0.00 1.22 1.82 -0.98 -1.78 116.42 117.27 1ab8 h ASP 1031Ca 0.22 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1ab8 h ASP 1031Cb 0.25 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1ab8 h ASP 1031CO -0.01 -0.13 0.19 0.77 -1.61 0.00 0.00 179.24 178.44 1ab8 h SER 1032N -0.76 0.00 -0.03 2.28 4.64 -1.10 0.39 113.55 118.97 1ab8 h SER 1032Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ab8 h SER 1032Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ab8 h SER 1032CO 0.08 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.39 1ab8 n THR 1033N -2.49 1.33 -0.83 2.95 -2.24 -0.75 -5.04 114.28 107.22 1ab8 n THR 1033Ca -0.02 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1ab8 n THR 1033Cb 0.23 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1ab8 n THR 1033CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab8 n GLY 1034N -0.75 -1.48 3.14 3.38 0.00 0.14 -5.00 105.19 104.61 1ab8 n GLY 1034Ca 0.07 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 1ab8 n GLY 1034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab8 s VAL 1035N -0.96 1.35 0.30 1.61 1.01 -1.26 -5.05 120.40 117.40 1ab8 s VAL 1035Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1ab8 s VAL 1035Cb 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 36.38 35.10 1ab8 s VAL 1035CO 0.00 0.39 0.82 0.18 0.00 0.00 0.00 175.10 176.48 1ab8 n LEU 1036N 2.91 0.84 0.00 3.92 7.99 -1.26 -1.11 117.00 130.29 1ab8 n LEU 1036Ca -0.16 1.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.95 1ab8 n LEU 1036Cb 0.54 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.66 1ab8 n LEU 1036CO 0.24 -2.02 0.00 -0.67 -1.51 0.00 0.00 177.39 173.43 1ab8 n ASP 1037N 1.36 -5.37 -4.45 -1.43 2.03 0.14 -4.93 116.55 103.89 1ab8 n ASP 1037Ca 0.12 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.20 1ab8 n ASP 1037Cb 0.32 -3.36 -0.10 0.00 -0.72 0.00 0.00 41.12 37.26 1ab8 n ASP 1037CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ab8 s LYS 1038N -1.88 1.61 -0.35 -0.67 1.02 -0.26 -4.97 119.74 114.24 1ab8 s LYS 1038Ca 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.19 1ab8 s LYS 1038Cb 0.00 -1.56 0.06 0.00 -0.52 0.00 0.00 37.83 35.81 1ab8 s LYS 1038CO 0.00 0.24 0.10 0.42 -0.92 0.00 0.00 175.35 175.19 1ab8 s ILE 1039N -2.68 3.44 0.22 2.17 1.01 -1.22 -1.94 121.20 122.20 1ab8 s ILE 1039Ca 0.29 -1.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.28 1ab8 s ILE 1039Cb -0.02 -3.05 -0.08 0.00 0.01 0.00 0.00 42.46 39.31 1ab8 s ILE 1039CO 0.13 -0.29 0.77 -1.58 0.00 0.00 0.00 174.94 173.97 1ab8 s GLN 1040N 1.30 4.39 -0.06 2.79 0.74 -0.40 -1.99 119.66 126.43 1ab8 s GLN 1040Ca -0.01 1.01 -0.05 0.00 0.05 0.00 0.00 55.36 56.37 1ab8 s GLN 1040Cb -0.21 -2.98 0.02 0.00 1.10 0.00 0.00 33.01 30.95 1ab8 s GLN 1040CO -0.00 0.43 0.15 0.54 -0.55 0.00 0.00 175.29 175.86 1ab8 s VAL 1041N -1.43 -0.01 0.64 1.34 0.11 0.41 -1.73 120.40 119.73 1ab8 s VAL 1041Ca 0.42 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 1ab8 s VAL 1041Cb -0.19 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1ab8 s VAL 1041CO 0.23 0.01 1.20 0.42 -3.33 0.00 0.00 175.10 173.63 1ab8 s THR 1042N 0.25 2.61 0.27 5.04 -4.23 -1.25 -3.75 115.64 114.57 1ab8 s THR 1042Ca -0.01 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1ab8 s THR 1042Cb -0.03 -3.04 0.43 0.00 1.34 0.00 0.00 72.50 71.20 1ab8 s THR 1042CO -0.01 -0.11 1.56 -0.08 -0.54 0.00 0.00 174.62 175.44 1ab8 h GLU 1043N 0.49 -0.00 0.25 3.99 4.57 -1.98 0.01 114.58 121.90 1ab8 h GLU 1043Ca -0.49 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1ab8 h GLU 1043Cb 1.29 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 1ab8 h GLU 1043CO 0.54 -0.00 -0.30 1.49 -1.18 0.00 0.00 179.01 179.56 1ab8 h GLU 1044N -0.00 -0.57 0.00 1.92 4.81 -2.02 -2.76 114.58 115.96 1ab8 h GLU 1044Ca 0.46 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1ab8 h GLU 1044Cb 0.70 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1ab8 h GLU 1044CO -1.00 -0.38 -0.27 1.15 -0.73 0.00 0.00 179.01 177.78 1ab8 h THR 1045N -0.59 1.11 -0.98 0.32 2.02 -1.51 -2.76 112.91 110.52 1ab8 h THR 1045Ca -0.00 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1ab8 h THR 1045Cb 0.56 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1ab8 h THR 1045CO -0.09 0.26 0.65 -1.28 0.37 0.00 0.00 175.52 175.43 1ab8 h SER 1046N 0.00 1.14 0.15 4.18 0.87 -0.77 -1.53 113.55 117.59 1ab8 h SER 1046Ca -0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1ab8 h SER 1046Cb 0.50 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ab8 h SER 1046CO 0.03 0.83 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.02 1ab8 h LEU 1047N 1.34 -0.17 -1.36 2.23 3.38 -1.37 -1.42 115.31 117.94 1ab8 h LEU 1047Ca 0.36 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1ab8 h LEU 1047Cb -0.15 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1ab8 h LEU 1047CO -0.08 0.04 0.52 0.40 0.09 0.00 0.00 178.44 179.41 1ab8 h ILE 1048N -0.37 0.94 -0.62 1.22 5.03 -1.50 -0.30 117.51 121.91 1ab8 h ILE 1048Ca -0.02 -0.25 -0.10 0.00 -0.12 0.00 0.00 64.86 64.38 1ab8 h ILE 1048Cb 0.30 0.16 -0.02 0.00 -3.03 0.00 0.00 36.82 34.23 1ab8 h ILE 1048CO 0.03 0.13 0.00 -0.07 -0.68 0.00 0.00 178.15 177.57 1ab8 h LEU 1049N 0.72 1.07 -0.99 1.44 3.38 -0.92 -2.36 115.31 117.65 1ab8 h LEU 1049Ca 0.36 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ab8 h LEU 1049Cb 0.45 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ab8 h LEU 1049CO -0.14 1.11 -0.02 1.56 0.09 0.00 0.00 178.44 181.04 1ab8 h GLN 1050N 0.99 0.70 0.00 1.13 4.20 -0.01 0.83 115.11 122.95 1ab8 h GLN 1050Ca 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1ab8 h GLN 1050Cb 0.56 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ab8 h GLN 1050CO 0.03 0.73 -0.03 1.15 -0.67 0.00 0.00 178.83 180.05 1ab8 h THR 1051N 0.66 0.62 0.04 -0.54 2.02 -0.67 -2.50 112.91 112.54 1ab8 h THR 1051Ca 0.13 -0.13 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1ab8 h THR 1051Cb 0.44 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1ab8 h THR 1051CO 0.02 0.03 -1.91 0.18 0.37 0.00 0.00 175.52 174.21 1ab8 n LEU 1052N -3.92 1.49 0.00 2.58 4.77 -0.31 -5.01 117.00 116.60 1ab8 n LEU 1052Ca -0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ab8 n LEU 1052Cb 0.12 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ab8 n LEU 1052CO 0.29 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1ab8 n GLY 1053N 1.76 0.72 3.64 -0.72 0.00 0.13 -5.11 105.19 105.61 1ab8 n GLY 1053Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1ab8 n GLY 1053CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ab8 s TYR 1054N -0.26 2.85 -0.60 1.61 1.51 -0.76 -4.95 117.35 116.76 1ab8 s TYR 1054Ca 0.00 0.99 -0.28 0.00 -1.01 0.00 0.00 57.07 56.77 1ab8 s TYR 1054Cb 0.00 -3.77 0.02 0.00 -0.11 0.00 0.00 41.96 38.10 1ab8 s TYR 1054CO 0.00 -1.44 1.31 0.95 -1.11 0.00 0.00 175.55 175.26 1ab8 s THR 1055N 4.01 3.86 -0.29 -0.71 -4.23 -1.26 -3.72 115.64 113.31 1ab8 s THR 1055Ca 0.53 0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 61.61 1ab8 s THR 1055Cb -0.16 -4.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.02 1ab8 s THR 1055CO 0.19 -1.34 0.36 0.00 -0.54 0.00 0.00 174.62 173.28 1ab8 s THR 1057N 2.04 2.78 0.08 0.00 2.01 -0.90 -4.75 115.64 116.90 1ab8 s THR 1057Ca 0.14 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 1ab8 s THR 1057Cb -0.16 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 1ab8 s THR 1057CO 0.11 0.04 1.11 0.00 -0.69 0.00 0.00 174.62 175.18 1ab8 n THR 1072N 3.43 -5.57 -3.67 0.00 -2.24 -1.26 -4.76 114.28 100.21 1ab8 n THR 1072Ca 0.06 0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 1ab8 n THR 1072Cb 0.48 -4.33 -0.11 0.00 -2.10 0.00 0.00 70.33 64.26 1ab8 n THR 1072CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ab8 s TYR 1073N -2.24 3.18 0.29 4.78 2.02 -1.25 -5.03 117.35 119.11 1ab8 s TYR 1073Ca 0.22 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1ab8 s TYR 1073Cb -0.03 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.24 1ab8 s TYR 1073CO 0.85 -0.19 0.14 1.19 -1.57 0.00 0.00 175.55 175.97 1ab8 n PHE 1074N 4.87 -0.39 -3.60 2.71 3.72 0.13 -0.44 117.46 124.46 1ab8 n PHE 1074Ca -0.15 -1.29 -0.10 0.00 -0.05 0.00 0.00 57.45 55.87 1ab8 n PHE 1074Cb 0.52 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1ab8 n PHE 1074CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ab8 s VAL 1075N -1.66 0.00 0.00 -4.37 0.11 -0.84 -2.12 120.40 111.52 1ab8 s VAL 1075Ca 0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1ab8 s VAL 1075Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1ab8 s VAL 1075CO 0.07 0.00 0.00 -0.46 -3.33 0.00 0.00 175.10 171.38