#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g82 s GLN 880 N 0.00 1.00 0.15 -1.40 -2.07 -1.25 -4.98 119.66 111.11 3g82 s GLN 880 Ca 0.00 -1.48 0.04 0.00 -1.82 0.00 0.00 55.36 52.10 3g82 s GLN 880 Cb 0.00 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3g82 s GLN 880 CO 0.00 -0.23 0.18 -1.54 -1.32 0.00 0.00 175.29 172.38 3g82 s SER 881 N -3.09 5.78 0.21 12.60 1.04 -1.26 -0.41 113.70 128.57 3g82 s SER 881 Ca 0.25 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.76 3g82 s SER 881 Cb 0.07 -1.59 -0.05 0.00 0.10 0.00 0.00 66.02 64.55 3g82 s SER 881 CO 0.03 0.07 -0.20 -0.31 0.98 0.00 0.00 173.24 173.81 3g82 s TYR 882 N -1.72 2.08 -0.05 5.02 1.51 0.33 -4.94 117.35 119.60 3g82 s TYR 882 Ca 0.32 -0.41 0.13 0.00 -1.01 0.00 0.00 57.07 56.10 3g82 s TYR 882 Cb -0.11 -0.98 -0.19 0.00 -0.11 0.00 0.00 41.96 40.58 3g82 s TYR 882 CO 0.25 0.50 0.83 -0.44 -1.11 0.00 0.00 175.55 175.58 3g82 h ASP 883 N 2.85 0.00 -0.92 2.29 3.32 -1.88 -2.65 116.42 119.43 3g82 h ASP 883 Ca -0.42 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.40 3g82 h ASP 883 Cb 1.22 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 3g82 h ASP 883 CO 0.54 0.86 -0.56 0.00 -1.72 0.00 0.00 179.24 178.36 3g82 s VAL 885 N 0.67 2.51 -0.12 0.00 1.01 -0.42 -4.76 120.40 119.28 3g82 s VAL 885 Ca 0.31 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3g82 s VAL 885 Cb 0.07 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3g82 s VAL 885 CO -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 175.10 174.93 3g82 s VAL 887 N 1.74 3.19 -0.05 0.00 1.01 0.72 -0.09 120.40 126.92 3g82 s VAL 887 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3g82 s VAL 887 Cb -0.13 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3g82 s VAL 887 CO -0.08 0.50 -0.01 -0.32 0.00 0.00 0.00 175.10 175.19 3g82 s MET 888 N -1.03 0.53 -0.15 2.72 1.75 0.10 -2.01 119.30 121.22 3g82 s MET 888 Ca 0.13 0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.62 3g82 s MET 888 Cb -0.11 -0.73 -0.01 0.00 2.84 0.00 0.00 34.83 36.83 3g82 s MET 888 CO 0.03 -0.17 -0.14 -0.06 -0.65 0.00 0.00 175.02 174.02 3g82 s PHE 889 N 1.29 2.79 -0.33 4.11 0.40 -0.31 -1.69 117.98 124.23 3g82 s PHE 889 Ca -0.06 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 3g82 s PHE 889 Cb -0.13 -1.87 0.13 0.00 0.51 0.00 0.00 43.02 41.65 3g82 s PHE 889 CO -0.02 -0.39 0.18 0.00 0.70 0.00 0.00 175.22 175.70 3g82 s ALA 890 N 0.66 0.90 0.27 5.36 0.00 -0.40 -0.50 121.76 128.05 3g82 s ALA 890 Ca -0.07 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.27 3g82 s ALA 890 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3g82 s ALA 890 CO 0.02 -1.96 0.42 -1.54 0.00 0.00 0.00 175.76 172.70 3g82 s SER 891 N 1.37 6.32 -0.51 0.00 1.04 -0.65 -1.95 113.70 119.31 3g82 s SER 891 Ca 0.15 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 3g82 s SER 891 Cb -0.21 -1.93 0.13 0.00 0.10 0.00 0.00 66.02 64.12 3g82 s SER 891 CO -0.11 -0.13 0.31 -0.63 0.98 0.00 0.00 173.24 173.66 3g82 s ILE 892 N -2.06 3.44 0.10 -1.02 1.01 -1.08 -0.79 121.20 120.81 3g82 s ILE 892 Ca 0.36 -2.52 -0.28 0.00 0.00 0.00 0.00 60.65 58.21 3g82 s ILE 892 Cb -0.09 -3.31 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 3g82 s ILE 892 CO 0.31 -0.78 1.64 -0.65 0.00 0.00 0.00 174.94 175.47 3g82 h PRO 893 N 7.52 -0.49 -0.61 2.79 0.11 -1.89 -2.71 132.00 136.71 3g82 h PRO 893 Ca -0.08 0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.28 3g82 h PRO 893 Cb 1.00 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3g82 h PRO 893 CO 0.70 -0.33 0.39 -0.25 -0.21 0.00 0.00 178.00 178.30 3g82 n ASP 894 N -5.37 0.10 0.11 -2.05 8.00 -1.26 -0.93 116.55 115.15 3g82 n ASP 894 Ca -0.08 0.62 -0.01 0.00 0.71 0.00 0.00 54.79 56.04 3g82 n ASP 894 Cb 0.28 -0.31 0.26 0.00 -0.02 0.00 0.00 41.12 41.33 3g82 n ASP 894 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3g82 h PHE 895 N 0.00 0.21 -0.34 1.24 3.57 -1.88 -2.17 116.94 117.57 3g82 h PHE 895 Ca 0.39 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3g82 h PHE 895 Cb 1.26 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3g82 h PHE 895 CO -0.00 0.55 0.22 -0.22 -2.23 0.00 0.00 178.31 176.63 3g82 h LYS 896 N 0.16 0.45 0.00 1.11 3.64 -1.24 0.14 116.57 120.83 3g82 h LYS 896 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3g82 h LYS 896 Cb 0.77 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3g82 h LYS 896 CO 0.06 0.31 -0.27 1.05 -2.27 0.00 0.00 179.45 178.33 3g82 h GLU 897 N 0.45 0.00 -0.13 1.90 4.11 -1.70 -2.85 114.58 116.36 3g82 h GLU 897 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.53 3g82 h GLU 897 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3g82 h GLU 897 CO -0.03 0.27 -0.01 0.35 0.07 0.00 0.00 179.01 179.67 3g82 h PHE 898 N 0.00 0.26 -2.45 2.06 3.57 -0.54 -3.44 116.94 116.39 3g82 h PHE 898 Ca -0.00 -0.05 -0.57 0.00 3.53 0.00 0.00 57.97 60.88 3g82 h PHE 898 Cb 0.67 -0.07 0.06 0.00 2.79 0.00 0.00 35.95 39.41 3g82 h PHE 898 CO 0.00 0.49 0.81 0.98 -2.23 0.00 0.00 178.31 178.36 3g82 n TYR 899 N -4.76 2.37 -3.75 0.41 9.36 0.37 -5.00 117.16 116.16 3g82 n TYR 899 Ca -0.06 0.25 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 3g82 n TYR 899 Cb 0.22 -2.56 -0.11 0.00 -0.63 0.00 0.00 39.34 36.26 3g82 n TYR 899 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3g82 s THR 900 N 0.76 -0.01 -0.17 2.97 2.01 -1.26 -4.99 115.64 114.94 3g82 s THR 900 Ca 0.76 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.70 3g82 s THR 900 Cb -0.64 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3g82 s THR 900 CO 0.39 0.01 0.09 -1.61 -0.69 0.00 0.00 174.62 172.81 3g82 s GLU 901 N 0.41 3.92 -0.23 4.92 2.02 -1.26 -2.80 118.70 125.68 3g82 s GLU 901 Ca -0.02 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.41 3g82 s GLU 901 Cb -0.04 -3.25 0.14 0.00 0.10 0.00 0.00 34.13 31.08 3g82 s GLU 901 CO -0.02 0.37 1.08 -1.54 0.02 0.00 0.00 175.26 175.17 3g82 s SER 902 N 0.11 -0.35 0.32 -0.19 1.04 -1.26 -4.83 113.70 108.53 3g82 s SER 902 Ca 0.07 0.52 0.11 0.00 0.48 0.00 0.00 55.95 57.13 3g82 s SER 902 Cb -0.12 0.48 0.99 0.00 0.10 0.00 0.00 66.02 67.47 3g82 s SER 902 CO 0.00 -0.22 1.46 0.47 0.98 0.00 0.00 173.24 175.93 3g82 n ASP 903 N 1.34 0.12 -0.01 7.02 10.43 -1.26 -0.38 116.55 133.81 3g82 n ASP 903 Ca -0.10 1.56 -0.12 0.00 2.57 0.00 0.00 54.79 58.70 3g82 n ASP 903 Cb 0.57 -0.67 -0.07 0.00 1.84 0.00 0.00 41.12 42.80 3g82 n ASP 903 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3g82 h VAL 904 N 0.00 1.16 -0.73 2.53 2.07 -2.00 -3.12 116.25 116.16 3g82 h VAL 904 Ca 0.68 -0.47 -0.30 0.00 0.82 0.00 0.00 66.70 67.43 3g82 h VAL 904 Cb 1.64 1.33 -0.18 0.00 -1.52 0.00 0.00 31.29 32.56 3g82 h VAL 904 CO -0.79 0.14 0.38 -0.46 0.02 0.00 0.00 177.57 176.86 3g82 n ASN 905 N -4.93 4.06 -3.85 0.57 0.23 0.49 -4.90 115.26 106.94 3g82 n ASN 905 Ca -0.06 -3.18 -0.24 0.00 -0.53 0.00 0.00 54.58 50.57 3g82 n ASN 905 Cb 0.12 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.08 3g82 n ASN 905 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3g82 n LYS 906 N -0.44 -4.09 -4.01 -3.83 5.02 -0.58 -2.24 118.16 107.99 3g82 n LYS 906 Ca 0.42 0.50 -0.27 0.00 -2.02 0.00 0.00 58.31 56.95 3g82 n LYS 906 Cb 1.35 -4.87 -0.03 0.00 -0.02 0.00 0.00 35.03 31.47 3g82 n LYS 906 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3g82 n GLU 907 N -4.36 -3.08 -0.68 1.97 4.71 -0.71 -1.66 120.64 116.84 3g82 n GLU 907 Ca -0.28 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 3g82 n GLU 907 Cb 0.67 -4.50 0.00 0.00 -1.01 0.00 0.00 31.44 26.60 3g82 n GLU 907 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3g82 n GLY 908 N -1.99 0.78 0.15 0.62 0.00 -0.95 -4.71 105.19 99.09 3g82 n GLY 908 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 3g82 n GLY 908 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g82 h LEU 909 N 0.00 0.42 -0.21 0.99 5.85 -1.10 -2.74 115.31 118.52 3g82 h LEU 909 Ca 0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3g82 h LEU 909 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3g82 h LEU 909 CO 0.00 0.75 0.00 -0.62 -0.34 0.00 0.00 178.44 178.23 3g82 n GLU 910 N -4.56 0.04 -0.01 1.25 -0.58 -1.17 -1.44 120.64 114.16 3g82 n GLU 910 Ca -0.05 0.40 -0.00 0.00 -0.42 0.00 0.00 57.16 57.09 3g82 n GLU 910 Cb 0.33 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3g82 n GLU 910 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g82 n LEU 912 N -2.62 0.27 -0.30 0.00 4.77 -1.11 0.72 117.00 118.73 3g82 n LEU 912 Ca -0.00 1.39 0.07 0.00 -0.03 0.00 0.00 56.01 57.44 3g82 n LEU 912 Cb 0.01 -0.67 0.28 0.00 -2.33 0.00 0.00 43.42 40.71 3g82 n LEU 912 CO 0.00 -1.55 1.24 -0.09 -1.33 0.00 0.00 177.39 175.66 3g82 h ARG 913 N 0.00 0.89 -0.01 3.23 2.43 -1.33 2.52 114.38 122.10 3g82 h ARG 913 Ca 0.70 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.74 3g82 h ARG 913 Cb 1.83 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 31.18 3g82 h ARG 913 CO -0.66 0.59 -0.28 1.25 -1.51 0.00 0.00 179.97 179.36 3g82 h LEU 914 N 0.91 0.27 -0.91 3.80 5.85 0.25 -2.74 115.31 122.74 3g82 h LEU 914 Ca 0.43 -0.74 0.17 0.00 0.84 0.00 0.00 57.88 58.58 3g82 h LEU 914 Cb 0.43 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 3g82 h LEU 914 CO -0.19 0.97 0.49 0.25 -0.34 0.00 0.00 178.44 179.62 3g82 h LEU 915 N -0.41 0.58 0.03 2.25 5.85 -0.02 0.52 115.31 124.11 3g82 h LEU 915 Ca -0.03 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3g82 h LEU 915 Cb 1.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3g82 h LEU 915 CO 0.06 0.20 -0.42 -1.13 -0.34 0.00 0.00 178.44 176.81 3g82 h ASN 916 N 0.64 -1.27 -0.42 1.25 -1.24 0.43 -0.71 115.58 114.25 3g82 h ASN 916 Ca 0.52 0.14 0.07 0.00 0.71 0.00 0.00 56.30 57.73 3g82 h ASN 916 Cb 0.80 0.48 -0.09 0.00 0.73 0.00 0.00 38.32 40.24 3g82 h ASN 916 CO -0.40 -0.42 -0.47 -0.33 -1.29 0.00 0.00 177.43 174.53 3g82 h GLU 917 N -0.54 -0.33 0.00 6.67 4.39 -0.82 0.82 114.58 124.77 3g82 h GLU 917 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3g82 h GLU 917 Cb 0.57 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3g82 h GLU 917 CO -0.26 -0.22 0.00 -0.89 -1.16 0.00 0.00 179.01 176.48 3g82 n ILE 918 N -5.40 0.00 -0.30 3.13 5.41 0.02 0.19 119.36 122.40 3g82 n ILE 918 Ca -0.01 1.48 0.13 0.00 1.00 0.00 0.00 62.75 65.34 3g82 n ILE 918 Cb 0.35 -2.05 0.27 0.00 -0.71 0.00 0.00 39.64 37.50 3g82 n ILE 918 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3g82 h ILE 919 N 0.00 0.23 0.14 1.39 1.08 -0.67 0.78 117.51 120.46 3g82 h ILE 919 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3g82 h ILE 919 Cb 0.00 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 3g82 h ILE 919 CO 0.00 0.02 -0.12 0.00 -0.69 0.00 0.00 178.15 177.36 3g82 h ALA 920 N 1.83 -0.25 -0.96 1.87 0.00 0.70 0.49 119.26 122.93 3g82 h ALA 920 Ca 0.55 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.52 3g82 h ALA 920 Cb 1.11 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 3g82 h ALA 920 CO -0.73 -0.66 0.59 -0.44 0.00 0.00 0.00 179.25 178.01 3g82 h ASP 921 N -0.28 0.88 0.98 0.00 3.32 0.79 -0.19 116.42 121.91 3g82 h ASP 921 Ca -0.00 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3g82 h ASP 921 Cb 0.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3g82 h ASP 921 CO -0.02 0.49 -0.35 -0.26 -1.72 0.00 0.00 179.24 177.38 3g82 h PHE 922 N 0.97 0.00 0.00 4.55 -1.00 0.76 -3.04 116.94 119.19 3g82 h PHE 922 Ca 0.46 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 61.05 3g82 h PHE 922 Cb 0.40 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 3g82 h PHE 922 CO -0.02 0.35 -0.90 -0.44 -1.61 0.00 0.00 178.31 175.69 3g82 h ASP 923 N 0.00 0.03 0.00 2.17 5.19 0.16 -3.24 116.42 120.73 3g82 h ASP 923 Ca -0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3g82 h ASP 923 Cb 0.94 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.44 3g82 h ASP 923 CO 0.05 0.92 0.10 0.44 -3.12 0.00 0.00 179.24 177.62 3g82 h ASP 924 N 0.01 0.00 0.13 6.45 3.32 -1.06 -2.66 116.42 122.61 3g82 h ASP 924 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3g82 h ASP 924 Cb 1.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3g82 h ASP 924 CO 0.12 0.00 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.51 3g82 h LEU 925 N 0.00 -0.15 -0.50 1.55 3.38 -1.71 -3.22 115.31 114.66 3g82 h LEU 925 Ca 0.00 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.71 3g82 h LEU 925 Cb 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3g82 h LEU 925 CO 0.00 0.44 1.03 0.18 0.09 0.00 0.00 178.44 180.19 3g82 n LEU 926 N -4.88 0.00 -1.08 1.67 4.77 -1.00 0.39 117.00 116.87 3g82 n LEU 926 Ca -0.08 0.59 0.10 0.00 -0.03 0.00 0.00 56.01 56.59 3g82 n LEU 926 Cb 0.27 -0.12 0.27 0.00 -2.33 0.00 0.00 43.42 41.50 3g82 n LEU 926 CO 0.25 -0.59 0.73 -1.20 -1.33 0.00 0.00 177.39 175.25 3g82 n SER 927 N -2.74 3.15 -4.32 -1.43 7.64 -1.22 -4.35 113.62 110.36 3g82 n SER 927 Ca 0.11 -1.97 -0.29 0.00 1.01 0.00 0.00 58.87 57.72 3g82 n SER 927 Cb 1.18 -0.35 0.16 0.00 -1.01 0.00 0.00 64.21 64.20 3g82 n SER 927 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g82 s LYS 928 N -1.30 0.97 -0.11 1.43 1.02 1.28 -4.99 119.74 118.04 3g82 s LYS 928 Ca 0.40 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 3g82 s LYS 928 Cb 0.21 -1.88 -0.26 0.00 -0.52 0.00 0.00 37.83 35.38 3g82 s LYS 928 CO 0.28 -2.21 0.44 -1.00 -0.92 0.00 0.00 175.35 171.95 3g82 h PRO 929 N -1.48 0.25 0.00 -1.68 0.13 -1.91 -3.10 132.00 124.21 3g82 h PRO 929 Ca -0.45 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 3g82 h PRO 929 Cb 1.26 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3g82 h PRO 929 CO 0.44 1.20 0.00 0.36 -0.23 0.00 0.00 178.00 179.78 3g82 n LYS 930 N -3.73 0.69 0.00 0.86 2.85 -1.26 -3.03 118.16 114.53 3g82 n LYS 930 Ca -0.29 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 3g82 n LYS 930 Cb 0.97 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 3g82 n LYS 930 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3g82 n PHE 931 N -0.96 0.00 0.26 5.58 3.72 -1.25 -4.81 117.46 120.00 3g82 n PHE 931 Ca 0.15 -0.13 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 3g82 n PHE 931 Cb 0.07 -0.01 0.82 0.00 -0.94 0.00 0.00 39.48 39.42 3g82 n PHE 931 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g82 h SER 932 N 0.00 0.00 -0.47 4.37 4.64 -1.45 -1.43 113.55 119.21 3g82 h SER 932 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3g82 h SER 932 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.44 3g82 h SER 932 CO 0.00 0.00 0.33 0.61 -0.87 0.00 0.00 176.83 176.90 3g82 n GLY 933 N -1.41 3.37 3.11 -0.77 0.00 -1.26 -4.81 105.19 103.42 3g82 n GLY 933 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3g82 n GLY 933 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g82 s VAL 934 N -1.69 1.76 -0.17 1.61 1.01 -0.54 -4.26 120.40 118.11 3g82 s VAL 934 Ca 0.27 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3g82 s VAL 934 Cb 0.23 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3g82 s VAL 934 CO 0.04 0.49 0.18 -0.70 0.00 0.00 0.00 175.10 175.11 3g82 s GLU 935 N 0.93 4.07 -0.18 2.72 2.56 -0.52 -4.94 118.70 123.34 3g82 s GLU 935 Ca -0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 54.97 54.57 3g82 s GLU 935 Cb -0.15 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.58 3g82 s GLU 935 CO -0.02 0.38 0.72 0.21 -0.56 0.00 0.00 175.26 175.99 3g82 s LYS 936 N 0.10 4.26 0.00 4.30 2.36 -1.26 -1.49 119.74 128.01 3g82 s LYS 936 Ca 0.12 0.80 0.00 0.00 -2.55 0.00 0.00 55.97 54.34 3g82 s LYS 936 Cb -0.12 -3.57 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 3g82 s LYS 936 CO 0.01 -0.26 0.00 -0.89 1.55 0.00 0.00 175.35 175.76 3g82 n ILE 937 N 4.66 0.00 -4.02 5.43 2.08 -0.93 -4.99 119.36 121.59 3g82 n ILE 937 Ca 0.01 0.18 -0.09 0.00 0.56 0.00 0.00 62.75 63.41 3g82 n ILE 937 Cb 0.49 -0.84 -0.06 0.00 -0.75 0.00 0.00 39.64 38.48 3g82 n ILE 937 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3g82 s LYS 938 N -0.37 1.49 -0.02 0.38 -2.85 -1.19 -4.98 119.74 112.19 3g82 s LYS 938 Ca 0.00 -1.29 0.07 0.00 -1.00 0.00 0.00 55.97 53.76 3g82 s LYS 938 Cb 0.00 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 3g82 s LYS 938 CO 0.00 -0.60 -0.25 0.95 0.10 0.00 0.00 175.35 175.55 3g82 s THR 939 N -4.03 1.95 -0.19 3.79 -4.23 -1.26 -1.74 115.64 109.92 3g82 s THR 939 Ca 0.24 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 3g82 s THR 939 Cb 0.00 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3g82 s THR 939 CO 0.09 0.55 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.97 3g82 s ILE 940 N -0.54 2.79 0.00 2.99 1.09 -0.84 -4.94 121.20 121.75 3g82 s ILE 940 Ca 0.08 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 3g82 s ILE 940 Cb -0.10 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.08 3g82 s ILE 940 CO -0.01 0.49 0.00 0.61 -0.10 0.00 0.00 174.94 175.93 3g82 n GLY 941 N 4.51 2.68 2.76 6.18 0.00 -1.26 -0.58 105.19 119.48 3g82 n GLY 941 Ca -0.19 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3g82 n GLY 941 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g82 n SER 942 N 3.55 6.17 -3.66 1.61 3.41 -1.26 -4.96 113.62 118.48 3g82 n SER 942 Ca 0.00 -3.68 -0.18 0.00 -0.26 0.00 0.00 58.87 54.75 3g82 n SER 942 Cb 0.00 -0.93 -0.16 0.00 -0.26 0.00 0.00 64.21 62.86 3g82 n SER 942 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g82 s THR 943 N -4.31 -0.21 -0.18 6.66 2.01 0.25 -2.62 115.64 117.25 3g82 s THR 943 Ca 0.43 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.49 3g82 s THR 943 Cb 0.22 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 3g82 s THR 943 CO -0.12 0.13 0.92 -0.47 -0.69 0.00 0.00 174.62 174.39 3g82 s TYR 944 N 2.25 3.41 -0.15 4.92 5.04 -0.83 -1.98 117.35 130.01 3g82 s TYR 944 Ca 0.04 1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 3g82 s TYR 944 Cb -0.12 -3.12 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 3g82 s TYR 944 CO -0.05 -0.31 -0.08 1.41 -1.34 0.00 0.00 175.55 175.17 3g82 s MET 945 N 2.45 3.49 0.30 4.97 -2.45 -0.71 -1.27 119.30 126.07 3g82 s MET 945 Ca 0.42 -0.62 -0.07 0.00 -1.25 0.00 0.00 55.69 54.17 3g82 s MET 945 Cb -0.16 -2.79 0.00 0.00 1.25 0.00 0.00 34.83 33.13 3g82 s MET 945 CO 0.12 0.17 0.47 0.00 1.05 0.00 0.00 175.02 176.82 3g82 s ALA 946 N 0.51 0.32 0.14 4.11 0.00 -0.68 -2.19 121.76 123.97 3g82 s ALA 946 Ca -0.06 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 3g82 s ALA 946 Cb -0.15 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.14 3g82 s ALA 946 CO 0.03 -0.81 0.55 0.00 0.00 0.00 0.00 175.76 175.54 3g82 s ALA 947 N -3.45 -1.44 0.14 0.00 0.00 -0.55 -0.72 121.76 115.73 3g82 s ALA 947 Ca 0.27 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.71 3g82 s ALA 947 Cb -0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3g82 s ALA 947 CO 0.15 -0.71 -0.16 0.95 0.00 0.00 0.00 175.76 175.99 3g82 s THR 948 N -3.57 1.53 0.00 0.00 -4.23 0.87 -1.45 115.64 108.79 3g82 s THR 948 Ca 0.01 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3g82 s THR 948 Cb -0.00 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3g82 s THR 948 CO -0.11 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 3g82 n GLY 949 N 0.40 0.63 1.37 3.99 0.00 -1.26 -1.24 105.19 109.08 3g82 n GLY 949 Ca -0.14 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.18 3g82 n GLY 949 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g82 n LEU 950 N 0.00 4.02 -1.50 0.99 4.77 -1.26 -4.39 117.00 119.63 3g82 n LEU 950 Ca 0.00 -2.03 -0.04 0.00 -0.03 0.00 0.00 56.01 53.91 3g82 n LEU 950 Cb 0.33 -0.55 0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3g82 n LEU 950 CO 0.00 0.60 0.20 -1.20 -1.33 0.00 0.00 177.39 175.66 3g82 n SER 951 N 0.68 2.43 -3.06 -1.43 7.64 -1.26 -5.06 113.62 113.57 3g82 n SER 951 Ca 0.20 -3.21 -0.14 0.00 1.01 0.00 0.00 58.87 56.73 3g82 n SER 951 Cb 0.80 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 3g82 n SER 951 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g82 n ALA 952 N -0.61 0.22 0.09 -0.43 0.00 -1.26 -5.23 120.51 113.29 3g82 n ALA 952 Ca 0.22 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.58 3g82 n ALA 952 Cb 0.88 0.61 -0.07 0.00 0.00 0.00 0.00 19.45 20.86 3g82 n ALA 952 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3g82 h ILE 953 N 1.18 1.42 0.00 0.00 5.03 -1.97 -3.53 117.51 119.64 3g82 h ILE 953 Ca -0.18 -3.01 0.00 0.00 -0.12 0.00 0.00 64.86 61.55 3g82 h ILE 953 Cb 0.59 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 37.08 3g82 h ILE 953 CO 0.30 0.81 0.00 -1.14 -0.68 0.00 0.00 178.15 177.44 3g82 n ARG 964 N -3.31 0.00 0.03 2.37 0.63 -1.26 -5.04 116.66 110.08 3g82 n ARG 964 Ca 0.01 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.05 3g82 n ARG 964 Cb 0.87 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.71 3g82 n ARG 964 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g82 n GLN 965 N 0.00 0.50 -1.10 -0.14 10.64 -1.26 -3.75 117.38 122.28 3g82 n GLN 965 Ca 0.00 -0.05 -0.15 0.00 -1.83 0.00 0.00 57.00 54.97 3g82 n GLN 965 Cb 0.00 -1.62 0.16 0.00 -0.86 0.00 0.00 30.24 27.92 3g82 n GLN 965 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3g82 n TYR 966 N -2.24 2.01 0.23 2.61 4.01 -1.26 -4.63 117.16 117.90 3g82 n TYR 966 Ca -0.01 -1.91 0.07 0.00 -0.16 0.00 0.00 57.90 55.89 3g82 n TYR 966 Cb 0.51 -0.71 0.57 0.00 -0.31 0.00 0.00 39.34 39.40 3g82 n TYR 966 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3g82 h MET 967 N 1.23 0.03 0.00 -0.72 1.85 -2.03 -2.40 114.93 112.89 3g82 h MET 967 Ca 0.39 -0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.38 3g82 h MET 967 Cb 1.86 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.87 3g82 h MET 967 CO 0.76 0.10 -0.47 1.12 -0.40 0.00 0.00 176.91 178.02 3g82 h HIS 968 N 0.03 0.00 -0.22 1.39 2.07 -1.88 -2.69 115.15 113.85 3g82 h HIS 968 Ca 0.01 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.54 3g82 h HIS 968 Cb 0.14 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.11 3g82 h HIS 968 CO 0.00 0.47 0.12 0.82 -3.07 0.00 0.00 177.93 176.27 3g82 h ILE 969 N 0.00 1.01 -0.37 6.12 1.08 -1.79 -2.19 117.51 121.37 3g82 h ILE 969 Ca -0.00 -0.09 -0.11 0.00 -0.39 0.00 0.00 64.86 64.27 3g82 h ILE 969 Cb 0.86 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 3g82 h ILE 969 CO 0.06 0.05 -0.21 1.23 -0.69 0.00 0.00 178.15 178.59 3g82 h GLY 970 N 0.25 0.79 0.63 5.37 0.00 -1.61 -2.83 103.07 105.66 3g82 h GLY 970 Ca 0.09 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.82 3g82 h GLY 970 CO -0.05 0.59 0.26 -0.84 0.00 0.00 0.00 176.54 176.51 3g82 h THR 971 N 0.64 0.91 -0.95 4.70 2.02 -1.29 0.28 112.91 119.22 3g82 h THR 971 Ca 0.09 -0.17 0.11 0.00 0.77 0.00 0.00 66.41 67.21 3g82 h THR 971 Cb 0.70 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 3g82 h THR 971 CO 0.05 0.09 0.58 -0.03 0.37 0.00 0.00 175.52 176.58 3g82 h MET 972 N 0.49 0.92 -0.05 6.66 -1.53 -1.15 0.55 114.93 120.82 3g82 h MET 972 Ca 0.25 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 3g82 h MET 972 Cb 0.21 -0.21 -0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3g82 h MET 972 CO -0.20 0.61 -0.01 0.28 0.14 0.00 0.00 176.91 177.72 3g82 h VAL 973 N 0.94 1.29 -1.00 -5.77 2.07 -1.24 0.46 116.25 113.00 3g82 h VAL 973 Ca 0.46 -0.90 0.16 0.00 0.82 0.00 0.00 66.70 67.24 3g82 h VAL 973 Cb 0.43 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.89 3g82 h VAL 973 CO -0.25 0.25 0.62 -0.33 0.02 0.00 0.00 177.57 177.87 3g82 h GLU 974 N -0.24 0.84 -0.07 1.57 4.39 0.50 0.09 114.58 121.67 3g82 h GLU 974 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3g82 h GLU 974 Cb 0.40 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3g82 h GLU 974 CO 0.00 0.56 -0.00 0.35 -1.16 0.00 0.00 179.01 178.76 3g82 h PHE 975 N 0.87 0.13 -0.58 4.33 3.57 0.15 -2.44 116.94 122.97 3g82 h PHE 975 Ca 0.54 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.12 3g82 h PHE 975 Cb 0.71 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.34 3g82 h PHE 975 CO -0.01 0.40 0.16 0.00 -2.23 0.00 0.00 178.31 176.63 3g82 h ALA 976 N 0.71 0.71 -0.18 2.41 0.00 0.14 -0.14 119.26 122.92 3g82 h ALA 976 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3g82 h ALA 976 Cb 0.35 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3g82 h ALA 976 CO 0.00 -0.27 -0.10 1.88 0.00 0.00 0.00 179.25 180.76 3g82 h TYR 977 N 0.31 -0.25 -0.60 0.00 0.05 -1.02 -2.49 116.97 112.97 3g82 h TYR 977 Ca 0.30 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.19 3g82 h TYR 977 Cb 0.41 0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 3g82 h TYR 977 CO -0.21 -0.16 0.40 0.00 -1.05 0.00 0.00 178.16 177.14 3g82 h ALA 978 N 1.05 1.96 -0.05 3.88 0.00 -0.68 -0.52 119.26 124.89 3g82 h ALA 978 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g82 h ALA 978 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g82 h ALA 978 CO -0.24 -0.08 0.01 -0.07 0.00 0.00 0.00 179.25 178.87 3g82 h LEU 979 N 0.46 -0.01 -0.35 0.00 3.38 -0.64 -2.01 115.31 116.13 3g82 h LEU 979 Ca 0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3g82 h LEU 979 Cb 0.47 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3g82 h LEU 979 CO -0.08 0.01 0.23 0.58 0.09 0.00 0.00 178.44 179.27 3g82 h VAL 980 N 0.03 1.09 -0.99 1.22 2.07 -0.88 -0.36 116.25 118.43 3g82 h VAL 980 Ca 0.02 -0.16 0.17 0.00 0.82 0.00 0.00 66.70 67.55 3g82 h VAL 980 Cb 0.02 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 3g82 h VAL 980 CO -0.03 0.09 0.62 1.23 0.02 0.00 0.00 177.57 179.49 3g82 h GLY 981 N 0.48 1.63 2.00 2.17 0.00 -1.03 0.98 103.07 109.30 3g82 h GLY 981 Ca 0.13 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 3g82 h GLY 981 CO -0.03 0.01 -0.78 0.50 0.00 0.00 0.00 176.54 176.23 3g82 h LYS 982 N 0.78 0.00 -0.24 4.80 1.57 -0.57 -2.67 116.57 120.24 3g82 h LYS 982 Ca 0.54 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.14 3g82 h LYS 982 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3g82 h LYS 982 CO -0.32 0.78 -0.56 1.25 -0.57 0.00 0.00 179.45 180.03 3g82 h LEU 983 N 0.00 0.91 -1.89 2.94 5.85 0.25 -2.42 115.31 120.95 3g82 h LEU 983 Ca -0.01 -0.56 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 3g82 h LEU 983 Cb 1.42 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3g82 h LEU 983 CO 0.10 1.30 0.06 0.44 -0.34 0.00 0.00 178.44 180.00 3g82 h ASP 984 N 0.56 0.11 -0.29 1.25 5.19 -0.86 0.74 116.42 123.13 3g82 h ASP 984 Ca -0.00 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 3g82 h ASP 984 Cb 1.18 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3g82 h ASP 984 CO 0.12 0.09 -0.18 0.00 -3.12 0.00 0.00 179.24 176.15 3g82 h ALA 985 N 1.93 0.41 0.26 3.45 0.00 -1.29 -2.83 119.26 121.19 3g82 h ALA 985 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3g82 h ALA 985 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g82 h ALA 985 CO -0.01 0.33 -0.13 0.82 0.00 0.00 0.00 179.25 180.27 3g82 h ILE 986 N 0.37 0.78 -0.98 0.00 2.04 -0.92 -2.99 117.51 115.81 3g82 h ILE 986 Ca 0.06 -0.37 0.34 0.00 1.00 0.00 0.00 64.86 65.89 3g82 h ILE 986 Cb 0.72 0.99 -0.17 0.00 -0.74 0.00 0.00 36.82 37.62 3g82 h ILE 986 CO 0.05 0.08 0.39 0.78 0.00 0.00 0.00 178.15 179.45 3g82 h ASN 987 N -0.55 0.14 -0.48 1.72 2.35 -0.93 0.20 115.58 118.04 3g82 h ASN 987 Ca -0.04 0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3g82 h ASN 987 Cb 0.40 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3g82 h ASN 987 CO 0.06 -0.31 0.27 0.50 -1.65 0.00 0.00 177.43 176.30 3g82 h LYS 988 N 0.11 0.53 0.00 0.81 1.63 -1.35 -2.12 116.57 116.18 3g82 h LYS 988 Ca 0.73 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.46 3g82 h LYS 988 Cb 1.73 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.24 3g82 h LYS 988 CO -0.75 0.35 -1.23 0.72 -3.45 0.00 0.00 179.45 175.09 3g82 n HIS 989 N -4.84 0.82 1.04 1.91 8.25 0.02 -4.18 115.22 118.24 3g82 n HIS 989 Ca 0.03 0.24 0.11 0.00 -0.26 0.00 0.00 57.72 57.85 3g82 n HIS 989 Cb 0.08 -0.91 0.05 0.00 1.12 0.00 0.00 29.99 30.33 3g82 n HIS 989 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3g82 n SER 990 N -2.65 1.50 -3.20 0.41 3.41 0.50 -4.99 113.62 108.61 3g82 n SER 990 Ca -0.02 -1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 57.23 3g82 n SER 990 Cb 0.60 0.54 0.08 0.00 -0.26 0.00 0.00 64.21 65.17 3g82 n SER 990 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3g82 n PHE 991 N -0.60 -2.00 -4.28 7.33 3.72 -0.81 -5.02 117.46 115.79 3g82 n PHE 991 Ca 0.08 0.85 -0.15 0.00 -0.05 0.00 0.00 57.45 58.18 3g82 n PHE 991 Cb 0.41 -4.79 -0.10 0.00 -0.94 0.00 0.00 39.48 34.06 3g82 n PHE 991 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3g82 s ASN 992 N -4.19 1.58 -0.62 4.37 0.01 -1.11 -5.08 114.94 109.90 3g82 s ASN 992 Ca 0.02 -1.16 0.05 0.00 -0.71 0.00 0.00 52.86 51.06 3g82 s ASN 992 Cb -0.01 0.05 0.30 0.00 0.41 0.00 0.00 41.25 42.00 3g82 s ASN 992 CO 0.66 -0.50 0.90 -0.67 -1.51 0.00 0.00 177.10 175.98 3g82 n ASP 993 N -0.30 4.31 -4.76 -1.22 2.03 -1.26 -4.61 116.55 110.74 3g82 n ASP 993 Ca -0.07 -3.59 -0.40 0.00 0.52 0.00 0.00 54.79 51.25 3g82 n ASP 993 Cb 0.63 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3g82 n ASP 993 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3g82 s PHE 994 N -3.10 3.54 -0.07 -0.67 0.08 -1.26 -5.05 117.98 111.44 3g82 s PHE 994 Ca 0.45 1.68 0.03 0.00 0.12 0.00 0.00 56.93 59.21 3g82 s PHE 994 Cb 0.22 -3.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 3g82 s PHE 994 CO -0.09 -0.65 -0.14 0.15 -0.10 0.00 0.00 175.22 174.39 3g82 s LYS 995 N -1.48 1.90 0.28 0.44 -0.14 -1.26 -4.84 119.74 114.63 3g82 s LYS 995 Ca 0.45 -0.50 -0.28 0.00 -1.36 0.00 0.00 55.97 54.27 3g82 s LYS 995 Cb -0.33 -1.55 -0.09 0.00 -1.68 0.00 0.00 37.83 34.18 3g82 s LYS 995 CO 0.42 0.07 0.95 -1.17 -0.76 0.00 0.00 175.35 174.86 3g82 s LEU 996 N 0.54 4.51 -0.20 3.17 2.96 -1.26 -4.34 118.68 124.06 3g82 s LEU 996 Ca -0.14 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 3g82 s LEU 996 Cb -0.16 -3.78 0.03 0.00 0.50 0.00 0.00 46.19 42.78 3g82 s LEU 996 CO 0.04 0.05 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.35 3g82 s ARG 997 N -1.56 2.78 0.05 1.98 3.52 0.03 -0.83 118.95 124.93 3g82 s ARG 997 Ca 0.45 -0.98 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 3g82 s ARG 997 Cb -0.23 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3g82 s ARG 997 CO 0.29 -0.31 -0.10 0.08 -0.81 0.00 0.00 175.30 174.45 3g82 s VAL 998 N 1.24 3.41 -0.04 7.11 1.01 -1.19 -1.64 120.40 130.30 3g82 s VAL 998 Ca 0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3g82 s VAL 998 Cb -0.15 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3g82 s VAL 998 CO -0.11 0.26 0.07 -0.83 0.00 0.00 0.00 175.10 174.50 3g82 s GLY 999 N -1.76 0.16 -0.03 4.51 0.00 0.35 -1.76 107.32 108.79 3g82 s GLY 999 Ca 0.19 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.24 3g82 s GLY 999 CO 0.10 1.29 -0.21 -0.42 0.00 0.00 0.00 173.10 173.85 3g82 s ILE 1000N 1.95 1.68 -0.00 0.90 1.01 -1.06 -1.17 121.20 124.52 3g82 s ILE 1000Ca 0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 3g82 s ILE 1000Cb -0.12 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3g82 s ILE 1000CO -0.03 0.48 0.20 0.21 0.00 0.00 0.00 174.94 175.79 3g82 s ASN 1001N -0.36 -0.05 0.38 3.58 3.04 -0.85 -3.84 114.94 116.84 3g82 s ASN 1001Ca 0.05 -0.11 0.04 0.00 0.04 0.00 0.00 52.86 52.88 3g82 s ASN 1001Cb -0.10 0.24 -0.06 0.00 -1.54 0.00 0.00 41.25 39.80 3g82 s ASN 1001CO 0.00 -0.41 0.04 -1.38 -3.04 0.00 0.00 177.10 172.32 3g82 s HIS 1002N -1.41 2.11 -3.41 0.43 -3.43 -1.26 -0.20 115.29 108.12 3g82 s HIS 1002Ca -0.14 -0.90 0.00 0.00 -0.80 0.00 0.00 55.06 53.22 3g82 s HIS 1002Cb -0.07 -1.47 0.00 0.00 -1.43 0.00 0.00 32.58 29.61 3g82 s HIS 1002CO 0.02 0.14 0.00 0.41 -2.00 0.00 0.00 174.74 173.32 3g82 n GLY 1003N -0.87 0.93 3.77 -1.38 0.00 -0.38 -4.86 105.19 102.39 3g82 n GLY 1003Ca -0.06 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3g82 n GLY 1003CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g82 s PRO 1004N -1.09 3.83 0.22 1.61 0.04 -1.21 -1.31 135.00 137.09 3g82 s PRO 1004Ca 0.00 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3g82 s PRO 1004Cb 0.00 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3g82 s PRO 1004CO 0.00 -0.72 0.10 0.14 0.04 0.00 0.00 177.00 176.56 3g82 s VAL 1005N -1.18 0.32 -0.20 -0.36 -7.23 -1.00 -4.25 120.40 106.50 3g82 s VAL 1005Ca 0.58 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3g82 s VAL 1005Cb -0.44 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.00 3g82 s VAL 1005CO 0.58 -0.06 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.54 3g82 s ILE 1006N -3.93 2.52 0.41 -0.62 1.09 0.97 -0.51 121.20 121.14 3g82 s ILE 1006Ca 0.37 -0.85 -0.02 0.00 -1.10 0.00 0.00 60.65 59.04 3g82 s ILE 1006Cb 0.07 -2.13 0.09 0.00 -1.06 0.00 0.00 42.46 39.43 3g82 s ILE 1006CO 0.12 0.45 0.57 0.00 -0.10 0.00 0.00 174.94 175.97 3g82 n ALA 1007N 4.67 -0.10 0.00 9.38 0.00 0.46 0.07 120.51 134.99 3g82 n ALA 1007Ca -0.19 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.24 3g82 n ALA 1007Cb 0.50 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3g82 n ALA 1007CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g82 n GLY 1008N 0.83 0.43 3.35 0.00 0.00 -1.03 -3.86 105.19 104.92 3g82 n GLY 1008Ca 0.09 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 3g82 n GLY 1008CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g82 s VAL 1009N 0.00 2.02 -0.02 1.61 1.01 -1.26 -1.36 120.40 122.40 3g82 s VAL 1009Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 61.98 60.12 3g82 s VAL 1009Cb 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3g82 s VAL 1009CO 0.00 -0.09 0.14 -0.51 0.00 0.00 0.00 175.10 174.63 3g82 s ILE 1010N -1.45 0.06 0.00 2.22 2.07 -1.24 -4.96 121.20 117.89 3g82 s ILE 1010Ca 0.14 -0.48 0.00 0.00 -1.41 0.00 0.00 60.65 58.90 3g82 s ILE 1010Cb -0.09 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.14 3g82 s ILE 1010CO 0.06 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.44 3g82 n GLY 1011N 1.96 1.62 0.11 1.50 0.00 -1.26 -3.47 105.19 105.65 3g82 n GLY 1011Ca -0.19 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 3g82 n GLY 1011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g82 h ALA 1012N 0.00 0.42 0.34 4.61 0.00 -2.00 -3.19 119.26 119.44 3g82 h ALA 1012Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.67 3g82 h ALA 1012Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3g82 h ALA 1012CO 0.00 1.28 -0.16 1.96 0.00 0.00 0.00 179.25 182.33 3g82 h GLN 1013N 0.05 -0.44 -1.67 0.00 1.08 -2.08 -3.41 115.11 108.65 3g82 h GLN 1013Ca -0.26 0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 56.75 3g82 h GLN 1013Cb 2.00 0.10 -0.28 0.00 -0.05 0.00 0.00 27.48 29.25 3g82 h GLN 1013CO 0.13 -0.24 -0.56 0.21 -0.95 0.00 0.00 178.83 177.42 3g82 s LYS 1014N -5.76 0.53 -0.07 1.46 2.20 -1.26 -5.14 119.74 111.70 3g82 s LYS 1014Ca -0.15 -0.18 -0.39 0.00 -0.36 0.00 0.00 55.97 54.89 3g82 s LYS 1014Cb 0.04 -0.36 -0.17 0.00 -1.51 0.00 0.00 37.83 35.84 3g82 s LYS 1014CO 0.62 -1.10 1.46 -2.30 -0.36 0.00 0.00 175.35 173.67 3g82 n PRO 1015N 4.94 1.00 -4.62 4.03 -0.02 -1.21 -4.89 135.00 134.23 3g82 n PRO 1015Ca 0.05 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.66 3g82 n PRO 1015Cb 0.49 -2.00 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 3g82 n PRO 1015CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3g82 s GLN 1016N 1.56 1.31 -0.06 -0.52 -0.21 -1.23 -4.95 119.66 115.56 3g82 s GLN 1016Ca 0.91 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 55.52 3g82 s GLN 1016Cb -1.04 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 3g82 s GLN 1016CO 0.55 0.21 1.41 -0.47 -2.12 0.00 0.00 175.29 174.88 3g82 s TYR 1017N -0.01 2.66 0.21 0.91 5.04 -1.26 -3.64 117.35 121.25 3g82 s TYR 1017Ca -0.01 0.74 -0.02 0.00 -2.44 0.00 0.00 57.07 55.34 3g82 s TYR 1017Cb -0.09 -3.67 -0.04 0.00 0.35 0.00 0.00 41.96 38.52 3g82 s TYR 1017CO 0.01 -2.52 0.16 0.34 -1.34 0.00 0.00 175.55 172.19 3g82 s ASP 1018N 2.23 0.15 -0.02 4.32 -1.08 -0.46 -4.84 116.67 116.98 3g82 s ASP 1018Ca 0.63 -1.36 0.04 0.00 -0.52 0.00 0.00 52.55 51.34 3g82 s ASP 1018Cb -0.29 0.40 -0.01 0.00 -1.46 0.00 0.00 42.92 41.56 3g82 s ASP 1018CO 0.24 -0.87 -0.12 0.27 0.52 0.00 0.00 175.17 175.21 3g82 s ILE 1019N -4.14 1.00 0.30 4.11 -4.36 -1.26 -2.45 121.20 114.39 3g82 s ILE 1019Ca 0.38 -0.51 0.11 0.00 -0.26 0.00 0.00 60.65 60.36 3g82 s ILE 1019Cb 0.06 -0.85 -0.05 0.00 1.25 0.00 0.00 42.46 42.87 3g82 s ILE 1019CO 0.12 0.29 -0.14 0.26 0.24 0.00 0.00 174.94 175.71 3g82 s TRP 1020N -0.11 2.37 0.00 1.37 0.51 0.11 -4.95 118.94 118.24 3g82 s TRP 1020Ca 0.01 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.61 3g82 s TRP 1020Cb -0.07 -1.16 0.00 0.00 -0.81 0.00 0.00 33.47 31.43 3g82 s TRP 1020CO 0.00 0.65 0.00 0.41 -0.51 0.00 0.00 176.95 177.51 3g82 n GLY 1021N -0.72 3.01 0.23 0.98 0.00 -1.26 -0.02 105.19 107.42 3g82 n GLY 1021Ca -0.05 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 3g82 n GLY 1021CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3g82 h ASN 1022N 0.00 0.67 -0.91 1.61 -0.73 -2.01 -2.72 115.58 111.49 3g82 h ASN 1022Ca 0.00 -0.08 0.24 0.00 1.87 0.00 0.00 56.30 58.33 3g82 h ASN 1022Cb 0.00 -0.17 -0.14 0.00 0.27 0.00 0.00 38.32 38.28 3g82 h ASN 1022CO 0.00 0.56 0.35 0.74 -0.37 0.00 0.00 177.43 178.71 3g82 h THR 1023N 0.73 0.37 -0.19 -3.57 2.02 -1.89 -1.81 112.91 108.56 3g82 h THR 1023Ca 0.19 -0.10 -0.15 0.00 0.77 0.00 0.00 66.41 67.12 3g82 h THR 1023Cb 0.03 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3g82 h THR 1023CO -0.03 0.05 -0.45 0.58 0.37 0.00 0.00 175.52 176.05 3g82 h VAL 1024N 0.30 1.32 0.00 3.16 2.07 -1.79 -1.99 116.25 119.32 3g82 h VAL 1024Ca 0.59 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3g82 h VAL 1024Cb 1.19 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3g82 h VAL 1024CO -0.60 0.52 -0.23 -0.55 0.02 0.00 0.00 177.57 176.73 3g82 h ASN 1025N 0.33 0.00 -0.19 0.57 -1.07 -1.48 -2.47 115.58 111.26 3g82 h ASN 1025Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 3g82 h ASN 1025Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 3g82 h ASN 1025CO 0.10 0.23 -0.43 0.58 0.07 0.00 0.00 177.43 177.98 3g82 h VAL 1026N 0.00 1.33 -0.76 6.14 2.07 -1.26 -1.05 116.25 122.72 3g82 h VAL 1026Ca -0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3g82 h VAL 1026Cb 1.08 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3g82 h VAL 1026CO 0.03 0.52 0.48 0.00 0.02 0.00 0.00 177.57 178.62 3g82 h ALA 1027N 0.58 0.96 -0.42 1.67 0.00 -1.37 0.19 119.26 120.88 3g82 h ALA 1027Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3g82 h ALA 1027Cb 1.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3g82 h ALA 1027CO 0.09 0.40 0.28 1.03 0.00 0.00 0.00 179.25 181.06 3g82 h SER 1028N 1.03 0.28 1.09 0.00 0.87 -1.35 -1.39 113.55 114.08 3g82 h SER 1028Ca 0.28 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.67 3g82 h SER 1028Cb -0.08 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3g82 h SER 1028CO -0.06 0.18 -0.96 0.03 -0.53 0.00 0.00 176.83 175.50 3g82 h ARG 1029N 0.32 0.00 0.00 2.24 2.47 -0.02 -1.92 114.38 117.46 3g82 h ARG 1029Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3g82 h ARG 1029Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3g82 h ARG 1029CO -0.04 0.60 0.00 -1.33 0.56 0.00 0.00 179.97 179.76 3g82 n MET 1030N -3.17 0.23 -0.04 0.04 2.81 0.54 -2.42 117.12 115.11 3g82 n MET 1030Ca -0.03 0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 55.93 3g82 n MET 1030Cb 0.85 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.84 3g82 n MET 1030CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3g82 n ASP 1031N -1.21 1.63 -0.20 7.83 2.03 -1.02 -3.87 116.55 121.73 3g82 n ASP 1031Ca 0.07 0.26 0.23 0.00 0.52 0.00 0.00 54.79 55.87 3g82 n ASP 1031Cb 0.08 -0.59 0.61 0.00 -0.72 0.00 0.00 41.12 40.50 3g82 n ASP 1031CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3g82 h SER 1032N -0.64 0.21 -1.76 1.67 4.64 -1.40 0.34 113.55 116.62 3g82 h SER 1032Ca -0.02 0.02 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 3g82 h SER 1032Cb 0.66 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 62.42 3g82 h SER 1032CO -0.01 0.08 0.44 0.35 -0.87 0.00 0.00 176.83 176.82 3g82 n THR 1033N -4.41 3.18 -3.24 2.95 -2.24 -1.02 -5.03 114.28 104.48 3g82 n THR 1033Ca 0.18 -4.43 -0.07 0.00 -2.27 0.00 0.00 64.05 57.46 3g82 n THR 1033Cb 0.80 -1.24 0.01 0.00 -2.10 0.00 0.00 70.33 67.80 3g82 n THR 1033CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g82 n GLY 1034N -0.55 2.32 2.84 3.38 0.00 0.12 -4.91 105.19 108.40 3g82 n GLY 1034Ca 0.49 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 3g82 n GLY 1034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g82 s VAL 1035N -0.45 0.17 0.44 1.61 1.01 -1.26 -5.07 120.40 116.85 3g82 s VAL 1035Ca 0.16 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 3g82 s VAL 1035Cb -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 3g82 s VAL 1035CO 0.10 0.12 1.33 0.18 0.00 0.00 0.00 175.10 176.84 3g82 n LEU 1036N 3.88 4.48 0.00 3.92 4.77 -1.26 -2.07 117.00 130.72 3g82 n LEU 1036Ca -0.24 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 3g82 n LEU 1036Cb 0.52 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3g82 n LEU 1036CO 0.23 -0.46 0.00 0.47 -1.33 0.00 0.00 177.39 176.30 3g82 n ASP 1037N 0.02 0.00 -4.51 -1.43 9.92 -0.01 -4.99 116.55 115.55 3g82 n ASP 1037Ca 0.06 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.05 3g82 n ASP 1037Cb 0.40 -0.28 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 3g82 n ASP 1037CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g82 s LYS 1038N -0.02 1.85 -0.30 -1.24 -0.14 -0.88 -5.04 119.74 113.98 3g82 s LYS 1038Ca 0.00 -1.33 -0.07 0.00 -1.36 0.00 0.00 55.97 53.21 3g82 s LYS 1038Cb 0.00 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 34.11 3g82 s LYS 1038CO 0.00 0.43 0.08 0.42 -0.76 0.00 0.00 175.35 175.52 3g82 s ILE 1039N -1.60 3.88 -0.39 2.17 1.09 -1.26 -3.14 121.20 121.95 3g82 s ILE 1039Ca 0.23 -0.80 -0.21 0.00 -1.10 0.00 0.00 60.65 58.77 3g82 s ILE 1039Cb -0.09 -3.04 0.01 0.00 -1.06 0.00 0.00 42.46 38.28 3g82 s ILE 1039CO 0.13 0.03 0.67 -1.58 -0.10 0.00 0.00 174.94 174.09 3g82 s GLN 1040N 1.47 3.54 0.21 2.79 0.74 -0.72 -1.78 119.66 125.91 3g82 s GLN 1040Ca 0.02 -0.06 0.09 0.00 0.05 0.00 0.00 55.36 55.46 3g82 s GLN 1040Cb -0.18 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.03 3g82 s GLN 1040CO 0.02 -0.87 -0.04 0.14 -0.55 0.00 0.00 175.29 174.00 3g82 s VAL 1041N 2.85 3.44 0.80 1.34 -7.23 0.23 -2.56 120.40 119.28 3g82 s VAL 1041Ca 0.25 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3g82 s VAL 1041Cb -0.14 -2.76 0.07 0.00 0.56 0.00 0.00 36.38 34.11 3g82 s VAL 1041CO 0.17 -0.19 1.09 0.42 -0.31 0.00 0.00 175.10 176.28 3g82 s THR 1042N -1.91 3.17 0.16 5.32 -4.23 -1.25 -0.30 115.64 116.60 3g82 s THR 1042Ca 0.28 0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 61.02 3g82 s THR 1042Cb -0.08 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.73 3g82 s THR 1042CO 0.18 -0.50 1.77 -0.08 -0.54 0.00 0.00 174.62 175.45 3g82 h GLU 1043N -1.11 0.36 -0.29 3.99 4.81 -1.92 0.36 114.58 120.79 3g82 h GLU 1043Ca -0.47 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3g82 h GLU 1043Cb 1.26 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 3g82 h GLU 1043CO 0.58 0.24 -0.12 0.93 -0.73 0.00 0.00 179.01 179.90 3g82 h GLU 1044N 0.37 -0.07 -0.71 1.92 3.07 -1.93 0.16 114.58 117.39 3g82 h GLU 1044Ca 0.18 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 3g82 h GLU 1044Cb 0.13 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3g82 h GLU 1044CO -0.16 -0.05 0.36 1.15 -1.40 0.00 0.00 179.01 178.91 3g82 h THR 1045N -0.08 1.22 -0.46 1.13 2.02 -1.81 -2.95 112.91 111.98 3g82 h THR 1045Ca 0.15 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3g82 h THR 1045Cb 0.30 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3g82 h THR 1045CO -0.34 0.26 0.17 -1.28 0.37 0.00 0.00 175.52 174.70 3g82 h SER 1046N 0.99 0.65 -0.88 4.18 0.87 0.13 -2.85 113.55 116.64 3g82 h SER 1046Ca 0.25 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3g82 h SER 1046Cb 0.08 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 3g82 h SER 1046CO -0.03 0.65 0.55 -0.07 -0.53 0.00 0.00 176.83 177.40 3g82 h LEU 1047N 0.60 0.88 -0.18 2.23 3.38 -0.59 -2.44 115.31 119.20 3g82 h LEU 1047Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3g82 h LEU 1047Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g82 h LEU 1047CO -0.01 0.57 -0.21 0.40 0.09 0.00 0.00 178.44 179.28 3g82 h ILE 1048N 1.02 1.34 -0.34 1.22 2.04 -1.50 -2.97 117.51 118.32 3g82 h ILE 1048Ca 0.38 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.94 3g82 h ILE 1048Cb 0.14 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3g82 h ILE 1048CO -0.16 0.42 0.26 -0.07 0.00 0.00 0.00 178.15 178.60 3g82 h LEU 1049N 0.10 0.00 -0.45 1.44 3.38 -1.24 0.11 115.31 118.65 3g82 h LEU 1049Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3g82 h LEU 1049Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3g82 h LEU 1049CO 0.05 0.00 -0.22 1.56 0.09 0.00 0.00 178.44 179.92 3g82 h GLN 1050N 0.00 0.94 0.00 1.13 4.20 -1.29 0.46 115.11 120.54 3g82 h GLN 1050Ca 0.16 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3g82 h GLN 1050Cb 0.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3g82 h GLN 1050CO -0.00 1.07 0.00 0.25 -0.67 0.00 0.00 178.83 179.48 3g82 n THR 1051N -4.16 0.67 0.84 -0.54 -2.24 -0.07 -2.88 114.28 105.90 3g82 n THR 1051Ca -0.01 0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 3g82 n THR 1051Cb 0.45 -0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 67.70 3g82 n THR 1051CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g82 n LEU 1052N -1.83 0.84 0.00 3.22 4.77 -0.63 -4.99 117.00 118.38 3g82 n LEU 1052Ca 0.04 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3g82 n LEU 1052Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3g82 n LEU 1052CO 0.21 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3g82 n GLY 1053N 1.45 1.39 3.76 -0.72 0.00 -0.66 -5.07 105.19 105.35 3g82 n GLY 1053Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3g82 n GLY 1053CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g82 s TYR 1054N -1.79 3.74 0.16 1.61 1.51 0.15 -4.97 117.35 117.76 3g82 s TYR 1054Ca 0.00 1.35 -0.00 0.00 -1.01 0.00 0.00 57.07 57.41 3g82 s TYR 1054Cb 0.00 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 3g82 s TYR 1054CO 0.00 0.36 0.34 0.95 -1.11 0.00 0.00 175.55 176.09 3g82 s THR 1055N -0.32 5.26 0.15 -0.71 -4.23 -1.26 -3.09 115.64 111.43 3g82 s THR 1055Ca 0.34 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 3g82 s THR 1055Cb -0.20 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3g82 s THR 1055CO 0.20 -0.09 -0.03 0.00 -0.54 0.00 0.00 174.62 174.17 3g82 s THR 1057N -3.61 0.55 -0.12 0.00 2.01 -0.28 -4.93 115.64 109.26 3g82 s THR 1057Ca 0.20 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 3g82 s THR 1057Cb 0.05 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 3g82 s THR 1057CO 0.01 0.03 1.00 0.00 -0.69 0.00 0.00 174.62 174.97 3g82 h ARG 1059N 7.13 0.50 0.00 0.00 2.43 -1.67 -3.46 114.38 119.30 3g82 h ARG 1059Ca -0.30 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3g82 h ARG 1059Cb 1.14 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3g82 h ARG 1059CO 0.86 1.04 0.00 0.41 -1.51 0.00 0.00 179.97 180.77 3g82 n GLY 1060N 0.60 0.23 3.19 2.80 0.00 -1.24 -5.02 105.19 105.75 3g82 n GLY 1060Ca -0.05 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3g82 n GLY 1060CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g82 s ILE 1061N -1.20 3.13 -0.10 -0.61 -1.09 -1.26 -1.63 121.20 118.45 3g82 s ILE 1061Ca 0.00 -1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 56.95 3g82 s ILE 1061Cb 0.00 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 3g82 s ILE 1061CO 0.00 -0.13 0.27 -0.63 -1.23 0.00 0.00 174.94 173.22 3g82 s ILE 1062N 1.28 5.29 -0.46 2.92 -1.09 0.55 -4.88 121.20 124.81 3g82 s ILE 1062Ca -0.04 0.52 -0.26 0.00 -2.23 0.00 0.00 60.65 58.64 3g82 s ILE 1062Cb -0.20 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3g82 s ILE 1062CO -0.00 0.53 0.93 0.21 -1.23 0.00 0.00 174.94 175.37 3g82 s ASN 1063N -0.52 6.51 -0.84 3.58 3.84 -1.26 0.07 114.94 126.32 3g82 s ASN 1063Ca 0.18 0.15 -0.18 0.00 0.21 0.00 0.00 52.86 53.22 3g82 s ASN 1063Cb -0.14 -2.45 0.15 0.00 -0.55 0.00 0.00 41.25 38.26 3g82 s ASN 1063CO 0.07 -1.05 0.96 -0.69 -2.79 0.00 0.00 177.10 173.60 3g82 s VAL 1064N 3.76 4.96 -0.38 -5.21 1.01 0.22 -4.96 120.40 119.80 3g82 s VAL 1064Ca 0.37 -1.68 -0.34 0.00 0.00 0.00 0.00 61.98 60.34 3g82 s VAL 1064Cb -0.10 -4.65 -0.15 0.00 0.00 0.00 0.00 36.38 31.48 3g82 s VAL 1064CO 0.26 -1.32 1.43 1.17 0.00 0.00 0.00 175.10 176.64 3g82 n LYS 1065N 5.88 0.00 0.00 2.72 4.81 -1.26 -0.31 118.16 130.00 3g82 n LYS 1065Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3g82 n LYS 1065Cb 0.47 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.39 3g82 n LYS 1065CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g82 n GLY 1066N 4.48 2.92 0.20 3.14 0.00 -1.26 -4.74 105.19 109.92 3g82 n GLY 1066Ca 0.33 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3g82 n GLY 1066CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g82 n LYS 1067N 0.00 2.17 0.00 1.61 4.81 0.57 -5.11 118.16 122.22 3g82 n LYS 1067Ca 0.00 -0.48 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 3g82 n LYS 1067Cb 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3g82 n LYS 1067CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g82 n GLY 1068N 1.12 -1.39 3.64 3.14 0.00 0.32 -4.88 105.19 107.15 3g82 n GLY 1068Ca 0.05 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3g82 n GLY 1068CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g82 s ASP 1069N -4.00 6.85 0.02 1.61 1.01 -1.26 0.71 116.67 121.60 3g82 s ASP 1069Ca 0.00 1.05 0.07 0.00 0.71 0.00 0.00 52.55 54.37 3g82 s ASP 1069Cb 0.00 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 3g82 s ASP 1069CO 0.00 -0.54 -0.20 -0.76 0.21 0.00 0.00 175.17 173.88 3g82 s LEU 1070N 2.89 2.11 0.19 1.23 1.43 0.11 -4.95 118.68 121.69 3g82 s LEU 1070Ca 0.36 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3g82 s LEU 1070Cb -0.15 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 3g82 s LEU 1070CO 0.08 0.19 0.99 -0.75 0.23 0.00 0.00 176.35 177.08 3g82 s LYS 1071N -0.86 4.74 0.27 1.70 2.20 -1.26 -0.33 119.74 126.19 3g82 s LYS 1071Ca 0.07 1.54 0.04 0.00 -0.36 0.00 0.00 55.97 57.27 3g82 s LYS 1071Cb -0.08 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 3g82 s LYS 1071CO 0.01 0.31 -0.00 0.95 -0.36 0.00 0.00 175.35 176.25 3g82 s THR 1072N -0.59 1.25 -0.04 3.43 -4.23 -0.64 -3.83 115.64 110.99 3g82 s THR 1072Ca 0.45 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3g82 s THR 1072Cb -0.26 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.10 3g82 s THR 1072CO 0.32 -0.23 0.20 -0.31 -0.54 0.00 0.00 174.62 174.06 3g82 s TYR 1073N -3.27 -0.12 0.01 3.99 1.51 0.59 -1.77 117.35 118.29 3g82 s TYR 1073Ca 0.31 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.58 3g82 s TYR 1073Cb 0.06 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 3g82 s TYR 1073CO 0.11 -0.22 0.24 -0.06 -1.11 0.00 0.00 175.55 174.52 3g82 s PHE 1074N -0.66 3.56 0.17 2.71 0.08 0.13 0.77 117.98 124.74 3g82 s PHE 1074Ca -0.08 0.48 -0.20 0.00 0.12 0.00 0.00 56.93 57.26 3g82 s PHE 1074Cb -0.04 -1.92 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 3g82 s PHE 1074CO 0.01 0.61 0.67 0.08 -0.10 0.00 0.00 175.22 176.50 3g82 s VAL 1075N -1.33 4.61 0.16 -0.44 1.01 -0.73 -1.13 120.40 122.54 3g82 s VAL 1075Ca 0.28 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.48 3g82 s VAL 1075Cb -0.13 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3g82 s VAL 1075CO 0.18 0.35 0.41 0.20 0.00 0.00 0.00 175.10 176.24 3g82 s ASN 1076N -1.45 6.52 0.00 3.32 -0.87 -0.55 -4.59 114.94 117.33 3g82 s ASN 1076Ca 0.38 0.66 0.08 0.00 -1.57 0.00 0.00 52.86 52.41 3g82 s ASN 1076Cb -0.18 -2.12 0.06 0.00 -0.02 0.00 0.00 41.25 38.99 3g82 s ASN 1076CO 0.21 0.03 0.74 0.41 -2.57 0.00 0.00 177.10 175.92