#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rke n GLU 883 N 0.00 0.20 -4.06 -0.67 2.13 -1.26 -5.00 120.64 111.98 1rke n GLU 883 Ca 0.00 0.10 -0.25 0.00 0.66 0.00 0.00 57.16 57.67 1rke n GLU 883 Cb 0.00 -1.64 -0.04 0.00 0.27 0.00 0.00 31.44 30.02 1rke n GLU 883 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1rke s GLU 884 N -2.50 3.05 -0.13 5.31 1.03 -1.26 -5.07 118.70 119.13 1rke s GLU 884 Ca 0.61 -0.85 -0.29 0.00 0.03 0.00 0.00 54.97 54.47 1rke s GLU 884 Cb -0.34 -2.71 -0.03 0.00 -0.80 0.00 0.00 34.13 30.25 1rke s GLU 884 CO 0.62 0.47 1.39 0.12 -1.33 0.00 0.00 175.26 176.53 1rke s PHE 885 N -1.85 2.56 -0.61 4.83 2.19 -1.26 -4.92 117.98 118.92 1rke s PHE 885 Ca 0.32 0.74 -0.26 0.00 0.33 0.00 0.00 56.93 58.07 1rke s PHE 885 Cb -0.10 -3.64 -0.08 0.00 -1.31 0.00 0.00 43.02 37.89 1rke s PHE 885 CO 0.25 -2.39 2.31 -1.25 1.83 0.00 0.00 175.22 175.97 1rke s PRO 886 N 3.69 2.06 0.37 10.12 0.04 -1.26 -4.92 135.00 145.10 1rke s PRO 886 Ca 0.61 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1rke s PRO 886 Cb -0.25 -4.64 -0.11 0.00 0.04 0.00 0.00 34.50 29.54 1rke s PRO 886 CO 0.20 -3.51 1.40 0.39 0.04 0.00 0.00 177.00 175.51 1rke n GLU 887 N 8.98 2.41 -2.08 4.56 4.71 -1.26 -4.88 120.64 133.08 1rke n GLU 887 Ca 0.37 0.85 -0.43 0.00 -0.01 0.00 0.00 57.16 57.94 1rke n GLU 887 Cb 0.51 -2.52 -0.03 0.00 -1.01 0.00 0.00 31.44 28.40 1rke n GLU 887 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1rke s GLN 888 N -2.03 3.64 0.71 3.49 0.74 -1.26 -4.98 119.66 119.95 1rke s GLN 888 Ca 0.55 1.56 -0.14 0.00 0.05 0.00 0.00 55.36 57.38 1rke s GLN 888 Cb -0.51 -4.09 0.02 0.00 1.10 0.00 0.00 33.01 29.53 1rke s GLN 888 CO 0.63 -1.49 1.13 0.15 -0.55 0.00 0.00 175.29 175.16 1rke s LYS 889 N 5.01 2.49 0.39 1.67 3.01 -1.26 -4.98 119.74 126.06 1rke s LYS 889 Ca 0.74 1.43 -0.27 0.00 -1.01 0.00 0.00 55.97 56.86 1rke s LYS 889 Cb -0.24 -1.91 -0.09 0.00 -1.01 0.00 0.00 37.83 34.58 1rke s LYS 889 CO 0.31 -1.50 1.34 0.00 0.51 0.00 0.00 175.35 176.01 1rke s ALA 890 N -2.39 3.36 -0.94 5.17 0.00 -1.26 -3.14 121.76 122.55 1rke s ALA 890 Ca 0.67 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 1rke s ALA 890 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1rke s ALA 890 CO 0.45 -0.85 0.80 0.41 0.00 0.00 0.00 175.76 176.57 1rke n GLY 891 N 0.66 -0.17 3.08 0.00 0.00 -1.26 -5.02 105.19 102.47 1rke n GLY 891 Ca 0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1rke n GLY 891 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rke s GLU 892 N -5.29 2.32 -0.37 1.61 2.02 -1.19 -5.10 118.70 112.70 1rke s GLU 892 Ca 0.12 -0.60 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 1rke s GLU 892 Cb -0.05 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.26 1rke s GLU 892 CO 0.55 -0.03 1.09 0.08 0.02 0.00 0.00 175.26 176.98 1rke s VAL 893 N 0.89 4.41 -0.01 2.63 1.01 -1.26 -5.00 120.40 123.07 1rke s VAL 893 Ca -0.08 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1rke s VAL 893 Cb -0.15 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1rke s VAL 893 CO -0.00 -0.65 0.04 -0.63 0.00 0.00 0.00 175.10 173.86 1rke s ILE 894 N 3.90 0.02 -0.47 2.22 1.01 -1.26 -4.60 121.20 122.02 1rke s ILE 894 Ca 0.46 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 1rke s ILE 894 Cb -0.11 -0.12 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1rke s ILE 894 CO 0.21 -0.11 1.23 0.21 0.00 0.00 0.00 174.94 176.48 1rke s ASN 895 N -0.31 6.51 0.28 3.58 2.47 -0.31 -4.89 114.94 122.26 1rke s ASN 895 Ca -0.04 0.52 0.01 0.00 0.42 0.00 0.00 52.86 53.77 1rke s ASN 895 Cb -0.02 -2.55 0.40 0.00 -1.45 0.00 0.00 41.25 37.63 1rke s ASN 895 CO -0.00 -1.35 1.76 1.56 -3.72 0.00 0.00 177.10 175.35 1rke h GLN 896 N 9.75 0.63 -0.78 0.43 1.08 -1.99 -1.24 115.11 122.99 1rke h GLN 896 Ca -0.25 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 56.72 1rke h GLN 896 Cb 1.07 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 1rke h GLN 896 CO 1.13 0.72 0.32 -1.35 -0.95 0.00 0.00 178.83 178.70 1rke h PRO 897 N 0.57 1.16 -0.27 1.46 0.11 -2.00 -0.94 132.00 132.10 1rke h PRO 897 Ca 0.10 -0.20 -0.17 0.00 0.11 0.00 0.00 66.00 65.84 1rke h PRO 897 Cb 0.53 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1rke h PRO 897 CO 0.03 0.93 -0.53 1.98 -0.21 0.00 0.00 178.00 180.21 1rke h MET 898 N 1.12 0.78 -0.18 1.05 4.05 -1.86 -2.69 114.93 117.20 1rke h MET 898 Ca 0.26 -0.48 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 1rke h MET 898 Cb 0.20 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1rke h MET 898 CO -0.02 1.11 -0.08 1.98 0.23 0.00 0.00 176.91 180.12 1rke h MET 899 N 0.60 0.38 -0.02 0.39 1.85 -1.04 -2.43 114.93 114.66 1rke h MET 899 Ca 0.02 -0.16 -0.07 0.00 -0.61 0.00 0.00 59.70 58.87 1rke h MET 899 Cb 1.11 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.12 1rke h MET 899 CO 0.11 0.68 -0.32 0.52 -0.40 0.00 0.00 176.91 177.50 1rke h MET 900 N 0.07 0.03 -0.07 0.39 2.86 -1.21 0.19 114.93 117.19 1rke h MET 900 Ca 0.04 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 1rke h MET 900 Cb 0.56 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1rke h MET 900 CO 0.03 0.35 -0.73 0.00 1.06 0.00 0.00 176.91 177.62 1rke h ALA 901 N 1.65 0.61 -0.34 6.32 0.00 -1.46 -1.26 119.26 124.78 1rke h ALA 901 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1rke h ALA 901 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rke h ALA 901 CO 0.04 0.77 -0.11 0.00 0.00 0.00 0.00 179.25 179.95 1rke h ALA 902 N 0.95 0.48 -0.33 0.00 0.00 -1.02 -1.44 119.26 117.91 1rke h ALA 902 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1rke h ALA 902 Cb 1.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1rke h ALA 902 CO 0.12 0.34 0.16 -0.09 0.00 0.00 0.00 179.25 179.78 1rke h ARG 903 N 0.46 0.32 -0.35 0.00 9.65 -0.44 0.82 114.38 124.84 1rke h ARG 903 Ca 0.08 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1rke h ARG 903 Cb 0.62 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1rke h ARG 903 CO 0.04 0.21 -0.14 -0.56 2.80 0.00 0.00 179.97 182.32 1rke h GLN 904 N 0.33 0.62 -0.25 0.20 3.07 -1.16 0.48 115.11 118.40 1rke h GLN 904 Ca 0.14 -0.20 -0.09 0.00 0.09 0.00 0.00 58.65 58.59 1rke h GLN 904 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1rke h GLN 904 CO -0.10 0.74 -0.23 1.25 0.09 0.00 0.00 178.83 180.59 1rke h LEU 905 N 0.56 0.47 -0.53 0.06 5.85 -0.83 -1.92 115.31 118.96 1rke h LEU 905 Ca 0.10 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 1rke h LEU 905 Cb 0.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1rke h LEU 905 CO 0.04 0.70 -0.30 -0.74 -0.34 0.00 0.00 178.44 177.80 1rke h HIS 906 N 0.42 1.01 -0.64 1.25 2.76 -0.11 -2.53 115.15 117.31 1rke h HIS 906 Ca 0.06 -0.27 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 1rke h HIS 906 Cb 0.63 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1rke h HIS 906 CO 0.02 1.05 0.11 -0.44 -1.30 0.00 0.00 177.93 177.37 1rke h ASP 907 N 0.73 1.01 -0.02 3.26 3.32 -0.65 -0.39 116.42 123.68 1rke h ASP 907 Ca 0.08 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1rke h ASP 907 Cb 0.86 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1rke h ASP 907 CO 0.08 1.01 0.01 -0.08 -1.72 0.00 0.00 179.24 178.53 1rke h GLU 908 N 0.97 0.03 -0.30 3.56 4.57 -1.27 -3.25 114.58 118.89 1rke h GLU 908 Ca 0.19 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1rke h GLU 908 Cb 0.43 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1rke h GLU 908 CO 0.01 0.21 -0.21 0.00 -1.18 0.00 0.00 179.01 177.84 1rke h ALA 909 N 0.82 1.08 0.00 2.92 0.00 -1.32 -2.97 119.26 119.79 1rke h ALA 909 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rke h ALA 909 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rke h ALA 909 CO -0.00 0.56 0.00 2.89 0.00 0.00 0.00 179.25 182.70 1rke n ARG 910 N -4.14 0.40 0.09 0.00 1.85 -0.17 -1.80 116.66 112.90 1rke n ARG 910 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 1rke n ARG 910 Cb 0.39 -1.44 0.19 0.00 -1.05 0.00 0.00 32.46 30.55 1rke n ARG 910 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1rke h LYS 911 N 0.00 0.00 -6.27 2.89 1.57 -1.63 -3.44 116.57 109.69 1rke h LYS 911 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 1rke h LYS 911 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.10 1rke h LYS 911 CO 0.00 0.00 -0.73 -1.58 -0.57 0.00 0.00 179.45 176.57 1rke s TRP 912 N -3.19 2.80 0.50 -1.35 0.52 -0.74 -1.33 118.94 116.14 1rke s TRP 912 Ca 0.06 -0.08 -0.22 0.00 0.02 0.00 0.00 56.10 55.88 1rke s TRP 912 Cb 0.12 -1.64 -0.06 0.00 -1.15 0.00 0.00 33.47 30.73 1rke s TRP 912 CO 0.70 0.27 1.19 0.45 0.02 0.00 0.00 176.95 179.58 1rke s SER 913 N -0.91 5.89 0.00 2.95 0.15 -0.18 -4.83 113.70 116.77 1rke s SER 913 Ca 0.13 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.40 1rke s SER 913 Cb -0.11 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.42 1rke s SER 913 CO 0.02 -1.11 1.61 -1.20 1.20 0.00 0.00 173.24 173.76 1rke n SER 914 N -0.78 0.58 -4.64 5.45 7.64 -1.26 -4.69 113.62 115.91 1rke n SER 914 Ca 0.09 -0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.14 1rke n SER 914 Cb 0.48 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1rke n SER 914 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rke s LYS 915 N -2.75 4.05 0.00 1.43 2.20 -1.26 -2.19 119.74 121.22 1rke s LYS 915 Ca 0.19 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1rke s LYS 915 Cb 0.19 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1rke s LYS 915 CO 0.58 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1rke n GLY 916 N 4.05 0.46 2.92 5.54 0.00 -1.26 -4.73 105.19 112.17 1rke n GLY 916 Ca 0.15 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1rke n GLY 916 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rke s ASN 917 N -2.80 0.26 0.45 1.61 3.84 -0.93 0.16 114.94 117.52 1rke s ASN 917 Ca 0.00 -1.11 0.23 0.00 0.21 0.00 0.00 52.86 52.19 1rke s ASN 917 Cb 0.00 1.06 1.02 0.00 -0.55 0.00 0.00 41.25 42.78 1rke s ASN 917 CO 0.00 -0.26 1.88 0.44 -2.79 0.00 0.00 177.10 176.38 1rke h ASP 918 N 7.28 0.00 -0.31 -4.21 5.19 -1.95 -2.37 116.42 120.05 1rke h ASP 918 Ca 0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 1rke h ASP 918 Cb 1.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1rke h ASP 918 CO 0.19 0.24 -0.24 0.40 -3.12 0.00 0.00 179.24 176.71 1rke h ILE 919 N 0.00 1.30 -0.30 0.35 2.04 -1.94 0.12 117.51 119.08 1rke h ILE 919 Ca -0.00 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1rke h ILE 919 Cb 0.64 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1rke h ILE 919 CO 0.03 0.44 -0.08 0.40 0.00 0.00 0.00 178.15 178.95 1rke h ILE 920 N 0.45 1.21 -0.02 -0.67 1.08 -1.89 0.74 117.51 118.42 1rke h ILE 920 Ca 0.06 -0.90 -0.24 0.00 -0.39 0.00 0.00 64.86 63.39 1rke h ILE 920 Cb 0.79 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 35.62 1rke h ILE 920 CO 0.06 0.30 -0.94 0.00 -0.69 0.00 0.00 178.15 176.88 1rke h ALA 921 N 1.47 0.30 -0.04 1.87 0.00 -1.23 -2.31 119.26 119.32 1rke h ALA 921 Ca 0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 1rke h ALA 921 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rke h ALA 921 CO 0.02 0.76 -0.45 0.00 0.00 0.00 0.00 179.25 179.58 1rke h ALA 922 N 0.63 1.16 -0.22 0.00 0.00 -0.46 -1.91 119.26 118.47 1rke h ALA 922 Ca -0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1rke h ALA 922 Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1rke h ALA 922 CO 0.17 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.96 1rke h ALA 923 N 1.46 0.30 -0.51 0.00 0.00 -0.78 -1.37 119.26 118.36 1rke h ALA 923 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1rke h ALA 923 Cb 0.84 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1rke h ALA 923 CO 0.06 0.09 0.30 0.87 0.00 0.00 0.00 179.25 180.57 1rke h LYS 924 N 0.15 0.70 -0.32 0.00 1.57 -1.29 -0.82 116.57 116.56 1rke h LYS 924 Ca 0.06 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1rke h LYS 924 Cb 0.51 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1rke h LYS 924 CO 0.02 0.52 -0.01 0.00 -0.57 0.00 0.00 179.45 179.41 1rke h ARG 925 N 0.68 0.08 -0.20 3.15 3.08 -1.28 -2.30 114.38 117.59 1rke h ARG 925 Ca 0.18 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1rke h ARG 925 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1rke h ARG 925 CO -0.03 0.05 0.11 1.98 -1.07 0.00 0.00 179.97 181.01 1rke h MET 926 N 0.08 0.28 -0.56 0.04 4.05 -0.77 -1.59 114.93 116.46 1rke h MET 926 Ca 0.15 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.66 1rke h MET 926 Cb 0.21 -0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 30.86 1rke h MET 926 CO -0.27 0.26 -0.01 0.00 0.23 0.00 0.00 176.91 177.12 1rke h ALA 927 N 1.01 0.54 -0.62 0.39 0.00 -0.85 0.20 119.26 119.92 1rke h ALA 927 Ca 0.07 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1rke h ALA 927 Cb 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1rke h ALA 927 CO -0.01 -0.39 0.09 -0.07 0.00 0.00 0.00 179.25 178.86 1rke h LEU 928 N 0.11 0.97 -0.53 0.00 4.07 -1.13 -0.62 115.31 118.19 1rke h LEU 928 Ca 0.29 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.90 1rke h LEU 928 Cb 0.45 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1rke h LEU 928 CO -0.48 0.98 -0.17 -0.07 -1.08 0.00 0.00 178.44 177.62 1rke h LEU 929 N 0.95 1.03 -1.15 1.67 3.38 -0.34 -1.91 115.31 118.94 1rke h LEU 929 Ca 0.19 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1rke h LEU 929 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1rke h LEU 929 CO 0.01 1.17 -0.11 -0.03 0.09 0.00 0.00 178.44 179.57 1rke h MET 930 N 0.88 0.46 -0.60 1.13 4.05 -0.42 0.08 114.93 120.52 1rke h MET 930 Ca 0.12 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1rke h MET 930 Cb 0.74 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 1rke h MET 930 CO 0.06 0.57 0.29 0.00 0.23 0.00 0.00 176.91 178.06 1rke h ALA 931 N 1.46 0.77 -0.45 0.39 0.00 -0.64 -1.37 119.26 119.43 1rke h ALA 931 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1rke h ALA 931 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rke h ALA 931 CO 0.03 0.33 -0.06 1.49 0.00 0.00 0.00 179.25 181.03 1rke h GLU 932 N 0.81 0.77 0.00 0.00 4.57 -0.81 -2.79 114.58 117.14 1rke h GLU 932 Ca 0.20 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1rke h GLU 932 Cb 0.11 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1rke h GLU 932 CO -0.03 0.82 -0.36 1.98 -1.18 0.00 0.00 179.01 180.24 1rke h MET 933 N 0.71 0.00 0.00 1.92 4.05 -0.45 -1.68 114.93 119.48 1rke h MET 933 Ca 0.13 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1rke h MET 933 Cb 0.52 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1rke h MET 933 CO 0.03 0.36 -0.06 0.66 0.23 0.00 0.00 176.91 178.13 1rke h SER 934 N 0.00 0.00 0.30 1.39 4.64 -0.98 -1.15 113.55 117.75 1rke h SER 934 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rke h SER 934 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1rke h SER 934 CO 0.05 0.06 -0.49 0.54 -0.87 0.00 0.00 176.83 176.12 1rke n ARG 935 N -3.48 0.37 -0.10 4.77 1.74 -0.66 -1.16 116.66 118.14 1rke n ARG 935 Ca -0.02 -0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 1rke n ARG 935 Cb 0.19 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.99 1rke n ARG 935 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rke n LEU 936 N -1.10 0.36 -0.28 0.55 4.77 -0.48 -3.71 117.00 117.11 1rke n LEU 936 Ca 0.08 -0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1rke n LEU 936 Cb 0.35 0.30 0.23 0.00 -2.33 0.00 0.00 43.42 41.97 1rke n LEU 936 CO 0.33 0.52 0.90 0.58 -1.33 0.00 0.00 177.39 178.38 1rke h VAL 937 N 0.00 0.34 0.00 4.08 2.07 -1.65 -2.86 116.25 118.24 1rke h VAL 937 Ca -0.51 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1rke h VAL 937 Cb 2.12 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1rke h VAL 937 CO 0.01 0.03 -0.48 0.03 0.02 0.00 0.00 177.57 177.19 1rke h ARG 938 N 0.18 0.00 0.00 1.57 2.47 -1.84 -3.45 114.38 113.30 1rke h ARG 938 Ca 0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 1rke h ARG 938 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1rke h ARG 938 CO -0.65 0.25 0.00 0.41 0.56 0.00 0.00 179.97 180.55 1rke n GLY 939 N 1.62 0.00 4.67 0.04 0.00 -1.08 -4.84 105.19 105.61 1rke n GLY 939 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1rke n GLY 939 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rke n GLY 940 N 0.00 -0.24 3.48 -0.02 0.00 -1.26 -4.94 105.19 102.22 1rke n GLY 940 Ca 0.00 -1.34 -0.55 0.00 0.00 0.00 0.00 46.02 44.13 1rke n GLY 940 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rke n SER 941 N 0.77 -0.14 -0.95 1.61 2.88 -1.26 -2.71 113.62 113.82 1rke n SER 941 Ca 0.00 1.15 -0.11 0.00 -1.33 0.00 0.00 58.87 58.57 1rke n SER 941 Cb 0.00 -0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 62.45 1rke n SER 941 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rke n GLY 942 N 1.73 1.00 0.30 0.46 0.00 -1.26 -4.93 105.19 102.49 1rke n GLY 942 Ca 0.19 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1rke n GLY 942 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rke n THR 943 N -2.92 0.80 0.00 2.61 -2.24 -1.10 -4.74 114.28 106.69 1rke n THR 943 Ca -0.12 -0.90 -0.13 0.00 -2.27 0.00 0.00 64.05 60.63 1rke n THR 943 Cb 0.42 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 1rke n THR 943 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rke h LYS 944 N 1.02 0.01 -0.25 -0.78 1.57 -1.91 -2.01 116.57 114.22 1rke h LYS 944 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1rke h LYS 944 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1rke h LYS 944 CO 0.00 0.34 0.14 0.00 -0.57 0.00 0.00 179.45 179.36 1rke h ARG 945 N -0.32 0.35 -0.98 3.15 3.08 -1.98 -1.11 114.38 116.58 1rke h ARG 945 Ca 0.00 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.19 1rke h ARG 945 Cb 0.34 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.22 1rke h ARG 945 CO 0.00 0.32 0.58 0.00 -1.07 0.00 0.00 179.97 179.80 1rke h ALA 946 N 1.01 1.59 -0.05 0.04 0.00 -1.84 0.30 119.26 120.31 1rke h ALA 946 Ca 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1rke h ALA 946 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rke h ALA 946 CO -0.01 -0.03 -0.13 1.25 0.00 0.00 0.00 179.25 180.32 1rke h LEU 947 N 0.76 0.19 -1.16 0.00 5.85 -0.93 -1.37 115.31 118.65 1rke h LEU 947 Ca 0.55 -0.61 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1rke h LEU 947 Cb 0.82 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1rke h LEU 947 CO -0.37 0.77 -0.03 0.40 -0.34 0.00 0.00 178.44 178.87 1rke h ILE 948 N -0.37 1.21 -0.30 4.05 2.04 -0.28 -1.54 117.51 122.32 1rke h ILE 948 Ca -0.00 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 1rke h ILE 948 Cb 0.75 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1rke h ILE 948 CO 0.03 0.29 -0.27 -0.61 0.00 0.00 0.00 178.15 177.59 1rke h GLN 949 N 0.51 0.71 -0.07 2.37 5.75 -0.46 -2.24 115.11 121.67 1rke h GLN 949 Ca 0.11 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1rke h GLN 949 Cb 0.38 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1rke h GLN 949 CO 0.02 0.98 -0.04 0.00 -2.65 0.00 0.00 178.83 177.13 1rke h ALA 951 N 1.04 1.26 -0.01 0.00 0.00 -1.30 -0.48 119.26 119.77 1rke h ALA 951 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rke h ALA 951 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rke h ALA 951 CO -0.10 0.19 0.00 -0.22 0.00 0.00 0.00 179.25 179.13 1rke h LYS 952 N 0.90 0.01 -0.22 0.00 3.64 -0.71 -0.22 116.57 119.97 1rke h LYS 952 Ca 0.42 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 1rke h LYS 952 Cb 0.33 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1rke h LYS 952 CO -0.23 0.02 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.27 1rke h ASP 953 N -0.01 0.42 -0.07 4.20 3.32 -0.64 -1.37 116.42 122.27 1rke h ASP 953 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1rke h ASP 953 Cb 0.02 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1rke h ASP 953 CO -0.00 0.68 0.02 0.40 -1.72 0.00 0.00 179.24 178.61 1rke h ILE 954 N 0.37 1.20 -0.93 0.35 2.04 -0.65 -1.49 117.51 118.41 1rke h ILE 954 Ca 0.05 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.38 1rke h ILE 954 Cb 0.66 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1rke h ILE 954 CO 0.05 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.95 1rke h ALA 955 N 0.79 1.31 -0.79 1.87 0.00 -0.89 0.03 119.26 121.57 1rke h ALA 955 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1rke h ALA 955 Cb 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1rke h ALA 955 CO 0.00 0.28 0.35 -0.22 0.00 0.00 0.00 179.25 179.67 1rke h LYS 956 N 1.01 1.16 -0.49 0.00 3.64 -0.96 0.21 116.57 121.14 1rke h LYS 956 Ca 0.42 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1rke h LYS 956 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1rke h LYS 956 CO -0.21 0.92 -0.12 0.00 -2.27 0.00 0.00 179.45 177.77 1rke h ALA 957 N 1.18 0.86 -0.48 5.00 0.00 -0.36 -2.42 119.26 123.05 1rke h ALA 957 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rke h ALA 957 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rke h ALA 957 CO -0.03 0.64 0.29 0.77 0.00 0.00 0.00 179.25 180.93 1rke h SER 958 N 0.81 0.57 -0.47 0.00 0.02 -0.52 -0.93 113.55 113.03 1rke h SER 958 Ca 0.13 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1rke h SER 958 Cb 0.66 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1rke h SER 958 CO 0.05 0.46 0.24 0.44 -1.14 0.00 0.00 176.83 176.87 1rke h ASP 959 N 0.64 0.34 -0.48 3.07 3.32 -0.81 0.64 116.42 123.14 1rke h ASP 959 Ca 0.17 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1rke h ASP 959 Cb -0.02 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1rke h ASP 959 CO -0.03 0.24 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.63 1rke h GLU 960 N 0.47 0.91 -0.52 3.56 4.57 -0.98 -0.40 114.58 122.20 1rke h GLU 960 Ca 0.21 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1rke h GLU 960 Cb 0.12 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1rke h GLU 960 CO -0.15 0.91 0.08 0.28 -1.18 0.00 0.00 179.01 178.96 1rke h VAL 961 N 0.84 1.25 0.13 0.32 2.07 -0.58 -1.51 116.25 118.77 1rke h VAL 961 Ca 0.16 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1rke h VAL 961 Cb 0.51 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1rke h VAL 961 CO 0.03 0.34 -0.15 0.74 0.02 0.00 0.00 177.57 178.54 1rke h THR 962 N 0.74 0.66 -0.91 2.57 2.02 -0.58 -1.37 112.91 116.03 1rke h THR 962 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1rke h THR 962 Cb 0.40 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1rke h THR 962 CO 0.01 0.00 0.60 -0.09 0.37 0.00 0.00 175.52 176.41 1rke h ARG 963 N -0.32 1.14 -0.07 6.66 2.43 -0.98 -1.53 114.38 121.71 1rke h ARG 963 Ca 0.01 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1rke h ARG 963 Cb 0.32 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1rke h ARG 963 CO -0.05 0.75 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.48 1rke h LEU 964 N 1.17 0.28 -0.46 3.80 3.38 -1.17 -2.94 115.31 119.37 1rke h LEU 964 Ca 0.36 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1rke h LEU 964 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1rke h LEU 964 CO -0.11 0.82 -0.37 0.00 0.09 0.00 0.00 178.44 178.87 1rke h ALA 965 N 1.18 0.64 0.13 1.53 0.00 -0.76 -1.08 119.26 120.91 1rke h ALA 965 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1rke h ALA 965 Cb 1.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1rke h ALA 965 CO 0.10 0.67 -0.22 0.87 0.00 0.00 0.00 179.25 180.67 1rke h LYS 966 N 0.72 -0.40 -0.94 0.00 1.57 -1.27 0.18 116.57 116.43 1rke h LYS 966 Ca 0.06 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1rke h LYS 966 Cb 0.95 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.30 1rke h LYS 966 CO 0.09 -0.27 0.62 0.93 -0.57 0.00 0.00 179.45 180.25 1rke h GLU 967 N -0.41 1.20 -0.64 3.15 3.07 -1.45 0.13 114.58 119.64 1rke h GLU 967 Ca 0.02 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1rke h GLU 967 Cb 0.43 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1rke h GLU 967 CO -0.11 0.80 0.24 0.28 -1.40 0.00 0.00 179.01 178.82 1rke h VAL 968 N 1.24 1.24 -0.19 3.13 2.07 -0.90 -3.13 116.25 119.71 1rke h VAL 968 Ca 0.35 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1rke h VAL 968 Cb -0.10 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1rke h VAL 968 CO -0.09 0.30 0.03 0.00 0.02 0.00 0.00 177.57 177.83 1rke h ALA 969 N 1.10 0.25 -1.10 1.67 0.00 0.66 -2.40 119.26 119.43 1rke h ALA 969 Ca 0.21 -0.17 0.34 0.00 0.00 0.00 0.00 54.91 55.29 1rke h ALA 969 Cb 0.23 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 1rke h ALA 969 CO -0.01 -0.08 0.68 0.87 0.00 0.00 0.00 179.25 180.70 1rke h LYS 970 N 0.10 0.28 -0.02 0.00 1.57 -0.76 0.41 116.57 118.14 1rke h LYS 970 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1rke h LYS 970 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1rke h LYS 970 CO 0.00 0.18 -0.16 0.00 -0.57 0.00 0.00 179.45 178.90 1rke n GLN 971 N -4.82 1.67 -2.38 3.15 10.64 -1.13 -4.92 117.38 119.59 1rke n GLN 971 Ca 0.31 -1.27 -0.42 0.00 -1.83 0.00 0.00 57.00 53.80 1rke n GLN 971 Cb 1.07 -1.47 -0.03 0.00 -0.86 0.00 0.00 30.24 28.95 1rke n GLN 971 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rke h THR 973 N 4.15 1.10 -2.44 0.00 1.35 -1.86 -3.46 112.91 111.75 1rke h THR 973 Ca -0.43 -2.65 -0.55 0.00 -0.55 0.00 0.00 66.41 62.23 1rke h THR 973 Cb 1.21 2.84 0.05 0.00 -1.73 0.00 0.00 68.15 70.52 1rke h THR 973 CO 0.79 0.84 0.99 -0.67 -0.25 0.00 0.00 175.52 177.22 1rke n ASP 974 N -3.58 3.72 -0.08 5.36 -0.08 -1.26 -4.91 116.55 115.72 1rke n ASP 974 Ca -0.20 1.03 -0.13 0.00 -1.51 0.00 0.00 54.79 53.99 1rke n ASP 974 Cb 1.07 -1.51 -0.05 0.00 2.34 0.00 0.00 41.12 42.97 1rke n ASP 974 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1rke h LYS 975 N 7.35 0.49 0.06 -0.67 3.64 -1.99 -2.37 116.57 123.08 1rke h LYS 975 Ca -0.45 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1rke h LYS 975 Cb 1.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1rke h LYS 975 CO 0.93 0.79 -0.03 -0.09 -2.27 0.00 0.00 179.45 178.79 1rke h ARG 976 N 0.18 -0.08 -0.51 1.90 2.43 -1.99 -2.46 114.38 113.85 1rke h ARG 976 Ca 0.04 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1rke h ARG 976 Cb 0.67 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 1rke h ARG 976 CO 0.04 0.53 0.03 0.82 -1.51 0.00 0.00 179.97 179.87 1rke h ILE 977 N -0.84 0.62 -0.75 1.20 2.04 -1.98 -0.48 117.51 117.32 1rke h ILE 977 Ca -0.01 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1rke h ILE 977 Cb 0.64 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1rke h ILE 977 CO 0.01 0.03 0.49 -0.09 0.00 0.00 0.00 178.15 178.59 1rke h ARG 978 N 0.15 0.99 -0.16 2.37 2.43 -1.49 0.60 114.38 119.26 1rke h ARG 978 Ca 0.26 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1rke h ARG 978 Cb 0.39 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1rke h ARG 978 CO -0.41 0.66 -0.02 1.15 -1.51 0.00 0.00 179.97 179.84 1rke h THR 979 N 1.02 1.28 -0.03 0.20 2.02 -0.67 -0.12 112.91 116.60 1rke h THR 979 Ca 0.27 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1rke h THR 979 Cb -0.10 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1rke h THR 979 CO -0.06 0.28 0.02 0.78 0.37 0.00 0.00 175.52 176.91 1rke h ASN 980 N 0.02 0.04 -0.09 4.18 -0.26 -0.67 -0.30 115.58 118.50 1rke h ASN 980 Ca 0.04 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1rke h ASN 980 Cb 0.44 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.63 1rke h ASN 980 CO 0.01 0.05 -0.26 0.25 -1.06 0.00 0.00 177.43 176.42 1rke h LEU 981 N 0.03 -0.80 -1.87 1.61 5.85 -0.84 -0.33 115.31 118.96 1rke h LEU 981 Ca 0.01 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1rke h LEU 981 Cb 0.02 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1rke h LEU 981 CO -0.00 -0.32 0.34 -0.07 -0.34 0.00 0.00 178.44 178.05 1rke h LEU 982 N -0.35 0.13 -0.65 2.25 3.38 -0.75 -2.33 115.31 116.99 1rke h LEU 982 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1rke h LEU 982 Cb 0.48 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1rke h LEU 982 CO -0.29 0.08 0.31 1.56 0.09 0.00 0.00 178.44 180.19 1rke h GLN 983 N 0.15 0.93 0.00 1.13 4.20 0.75 -2.98 115.11 119.29 1rke h GLN 983 Ca 0.23 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 1rke h GLN 983 Cb 0.73 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1rke h GLN 983 CO -0.03 0.74 -0.71 -0.39 -0.67 0.00 0.00 178.83 177.77 1rke h VAL 984 N 0.89 1.41 0.00 -0.54 -1.51 -1.24 -2.65 116.25 112.62 1rke h VAL 984 Ca 0.22 -2.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.16 1rke h VAL 984 Cb 0.12 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1rke h VAL 984 CO -0.03 0.70 0.00 0.00 -1.23 0.00 0.00 177.57 177.01 1rke n GLU 986 N -0.78 1.35 0.03 0.00 -0.58 -1.07 -4.71 120.64 114.88 1rke n GLU 986 Ca 0.09 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.67 1rke n GLU 986 Cb 0.04 -1.20 -0.11 0.00 -0.57 0.00 0.00 31.44 29.60 1rke n GLU 986 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rke h ARG 987 N 0.00 0.48 -0.98 3.49 2.47 -1.02 -3.36 114.38 115.46 1rke h ARG 987 Ca -0.22 -0.55 0.03 0.00 -1.26 0.00 0.00 59.98 57.98 1rke h ARG 987 Cb 1.40 0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 29.83 1rke h ARG 987 CO -0.01 1.19 0.64 0.82 0.56 0.00 0.00 179.97 183.17 1rke h ILE 988 N 0.01 1.18 -0.58 2.04 2.04 -1.30 -2.32 117.51 118.59 1rke h ILE 988 Ca -0.11 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1rke h ILE 988 Cb 1.49 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1rke h ILE 988 CO 0.15 0.23 0.10 -0.65 0.00 0.00 0.00 178.15 177.98 1rke h PRO 989 N 1.25 0.92 -0.46 2.37 0.11 -1.82 -0.30 132.00 134.07 1rke h PRO 989 Ca 0.38 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1rke h PRO 989 Cb -0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1rke h PRO 989 CO -0.12 0.85 0.16 1.15 -0.21 0.00 0.00 178.00 179.83 1rke h THR 990 N 0.87 1.22 -0.28 -1.15 2.02 -1.60 -1.57 112.91 112.42 1rke h THR 990 Ca 0.18 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1rke h THR 990 Cb 0.37 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1rke h THR 990 CO 0.01 0.26 0.00 0.40 0.37 0.00 0.00 175.52 176.56 1rke h ILE 991 N 0.61 1.26 -0.24 3.11 2.04 -1.11 -2.56 117.51 120.62 1rke h ILE 991 Ca 0.15 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1rke h ILE 991 Cb 0.24 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1rke h ILE 991 CO -0.01 0.30 -0.28 0.77 0.00 0.00 0.00 178.15 178.92 1rke h SER 992 N 0.28 0.48 -0.33 1.72 4.64 -0.98 -0.19 113.55 119.17 1rke h SER 992 Ca 0.08 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1rke h SER 992 Cb 0.43 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1rke h SER 992 CO 0.01 0.75 0.08 0.74 -0.87 0.00 0.00 176.83 177.55 1rke h THR 993 N 0.41 1.22 -0.10 2.95 2.02 -1.28 -2.65 112.91 115.48 1rke h THR 993 Ca 0.06 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1rke h THR 993 Cb 0.71 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1rke h THR 993 CO 0.05 0.25 -0.38 1.56 0.37 0.00 0.00 175.52 177.37 1rke h GLN 994 N 0.37 0.21 -0.59 6.66 4.20 -1.16 -2.34 115.11 122.47 1rke h GLN 994 Ca 0.10 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1rke h GLN 994 Cb 0.29 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1rke h GLN 994 CO 0.00 0.57 0.09 1.25 -0.67 0.00 0.00 178.83 180.07 1rke h LEU 995 N 0.18 0.90 -0.34 1.46 5.85 -0.93 -0.40 115.31 122.03 1rke h LEU 995 Ca 0.02 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1rke h LEU 995 Cb 0.76 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1rke h LEU 995 CO 0.06 0.91 0.01 0.11 -0.34 0.00 0.00 178.44 179.19 1rke h LYS 996 N 0.90 0.59 0.05 1.25 1.57 -1.10 0.15 116.57 119.98 1rke h LYS 996 Ca 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rke h LYS 996 Cb 0.40 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rke h LYS 996 CO 0.01 0.71 -0.03 0.82 -0.57 0.00 0.00 179.45 180.39 1rke h ILE 997 N 0.40 0.93 -0.40 1.86 2.04 -1.23 -1.89 117.51 119.22 1rke h ILE 997 Ca 0.10 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1rke h ILE 997 Cb 0.44 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1rke h ILE 997 CO 0.02 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.11 1rke h LEU 998 N -0.08 0.60 -0.33 1.44 3.38 -1.03 -0.50 115.31 118.79 1rke h LEU 998 Ca -0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1rke h LEU 998 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1rke h LEU 998 CO 0.00 0.66 0.02 0.28 0.09 0.00 0.00 178.44 179.49 1rke h SER 999 N 0.60 0.55 -0.12 -0.43 0.02 -0.83 -1.49 113.55 111.85 1rke h SER 999 Ca 0.13 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1rke h SER 999 Cb 0.36 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1rke h SER 999 CO 0.01 0.70 0.04 0.74 -1.14 0.00 0.00 176.83 177.19 1rke h THR 1000N 0.37 1.17 0.00 -2.27 2.02 -0.94 0.04 112.91 113.30 1rke h THR 1000Ca 0.09 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1rke h THR 1000Cb 0.41 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1rke h THR 1000CO 0.01 0.15 -0.10 -0.37 0.37 0.00 0.00 175.52 175.58 1rke h VAL 1001N 0.03 0.52 -0.03 3.16 -1.51 -1.06 -1.87 116.25 115.48 1rke h VAL 1001Ca 0.04 -0.48 -0.22 0.00 -1.23 0.00 0.00 66.70 64.81 1rke h VAL 1001Cb 0.20 1.32 0.02 0.00 -2.13 0.00 0.00 31.29 30.69 1rke h VAL 1001CO -0.00 0.10 -0.83 0.50 -1.23 0.00 0.00 177.57 176.11 1rke h LYS 1002N 0.00 0.62 -0.40 5.19 1.63 -0.90 -3.21 116.57 119.50 1rke h LYS 1002Ca -0.00 -0.62 0.03 0.00 -0.85 0.00 0.00 60.65 59.21 1rke h LYS 1002Cb 0.31 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1rke h LYS 1002CO 0.01 1.23 0.27 0.00 -3.45 0.00 0.00 179.45 177.51 1rke h ALA 1003N 0.41 1.86 0.00 5.00 0.00 -0.20 -0.46 119.26 125.86 1rke h ALA 1003Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rke h ALA 1003Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1rke h ALA 1003CO 0.17 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.76 1rke n THR 1004N -4.48 0.96 1.01 0.00 -2.24 -0.90 -2.80 114.28 105.82 1rke n THR 1004Ca 0.04 0.33 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 1rke n THR 1004Cb 0.16 -1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 67.11 1rke n THR 1004CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1rke n MET 1005N -2.06 0.35 -2.12 -0.78 2.81 -0.19 -5.13 117.12 110.00 1rke n MET 1005Ca 0.02 -0.28 -0.29 0.00 -1.81 0.00 0.00 57.70 55.33 1rke n MET 1005Cb 0.18 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 1rke n MET 1005CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rke s LEU 1006N -2.84 3.18 0.00 4.03 1.43 -1.12 -5.03 118.68 118.33 1rke s LEU 1006Ca 0.12 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1rke s LEU 1006Cb 0.17 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1rke s LEU 1006CO 0.77 -2.70 0.00 -0.67 0.23 0.00 0.00 176.35 173.98 1rke n ASP 1013N 13.46 0.00 0.11 2.29 4.64 -1.26 -5.03 116.55 130.76 1rke n ASP 1013Ca 0.42 0.00 -0.08 0.00 -1.38 0.00 0.00 54.79 53.75 1rke n ASP 1013Cb 0.47 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.50 1rke n ASP 1013CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1rke h GLU 1014N 0.00 -0.34 -0.98 -0.67 5.08 -2.05 -3.00 114.58 112.62 1rke h GLU 1014Ca 0.00 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.60 1rke h GLU 1014Cb 0.00 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.21 1rke h GLU 1014CO 0.00 -0.08 0.56 1.49 -1.00 0.00 0.00 179.01 179.98 1rke h GLU 1015N -1.02 0.60 -0.33 2.33 4.81 -2.05 0.16 114.58 119.08 1rke h GLU 1015Ca -0.04 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1rke h GLU 1015Cb 0.42 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1rke h GLU 1015CO 0.06 0.39 -0.11 1.03 -0.73 0.00 0.00 179.01 179.65 1rke h SER 1016N 0.61 0.66 -0.85 1.04 0.87 -1.96 -1.68 113.55 112.25 1rke h SER 1016Ca 0.60 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1rke h SER 1016Cb 1.06 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 1rke h SER 1016CO -0.45 0.90 0.50 -0.08 -0.53 0.00 0.00 176.83 177.17 1rke h GLU 1017N 0.43 1.16 -0.63 2.24 4.57 -0.66 -1.07 114.58 120.61 1rke h GLU 1017Ca 0.08 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 1rke h GLU 1017Cb 0.62 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1rke h GLU 1017CO 0.04 0.82 0.13 0.37 -1.18 0.00 0.00 179.01 179.19 1rke h GLN 1018N 1.18 1.03 -0.89 1.92 4.15 -0.68 -1.74 115.11 120.07 1rke h GLN 1018Ca 0.30 -0.26 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1rke h GLN 1018Cb -0.03 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.47 1rke h GLN 1018CO -0.06 0.94 0.58 0.00 -1.93 0.00 0.00 178.83 178.37 1rke h ALA 1019N 1.04 1.63 -0.11 3.38 0.00 -0.27 -0.32 119.26 124.61 1rke h ALA 1019Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rke h ALA 1019Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rke h ALA 1019CO 0.01 0.19 -0.02 1.15 0.00 0.00 0.00 179.25 180.58 1rke h THR 1020N 0.89 1.29 -0.43 0.00 2.02 -0.88 -2.76 112.91 113.04 1rke h THR 1020Ca 0.41 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1rke h THR 1020Cb 0.40 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1rke h THR 1020CO -0.18 0.27 0.04 -0.33 0.37 0.00 0.00 175.52 175.69 1rke h GLU 1021N -0.10 0.67 -0.69 6.66 5.08 -0.73 0.50 114.58 125.97 1rke h GLU 1021Ca 0.03 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1rke h GLU 1021Cb 0.43 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1rke h GLU 1021CO 0.01 0.66 0.14 0.52 -1.00 0.00 0.00 179.01 179.34 1rke h MET 1022N 0.64 1.12 -0.35 2.33 2.86 -1.12 -1.67 114.93 118.75 1rke h MET 1022Ca 0.14 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1rke h MET 1022Cb 0.34 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1rke h MET 1022CO 0.01 1.00 -0.35 1.25 1.06 0.00 0.00 176.91 179.89 1rke h LEU 1023N 1.06 0.90 -0.70 1.22 5.85 -0.97 -2.22 115.31 120.44 1rke h LEU 1023Ca 0.21 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1rke h LEU 1023Cb 0.41 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1rke h LEU 1023CO 0.01 1.19 -0.34 0.58 -0.34 0.00 0.00 178.44 179.53 1rke h VAL 1024N 0.64 1.29 -0.18 1.05 2.07 -0.88 -0.02 116.25 120.22 1rke h VAL 1024Ca 0.05 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1rke h VAL 1024Cb 0.93 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1rke h VAL 1024CO 0.09 0.47 0.06 -0.74 0.02 0.00 0.00 177.57 177.47 1rke h HIS 1025N 0.51 0.28 -0.00 1.57 -0.00 -1.21 -2.12 115.15 114.18 1rke h HIS 1025Ca 0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1rke h HIS 1025Cb 0.84 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1rke h HIS 1025CO 0.04 0.35 0.00 -0.97 -0.00 0.00 0.00 177.93 177.34 1rke h ASN 1026N 0.12 0.00 -0.82 3.26 -0.73 -1.16 -2.24 115.58 114.02 1rke h ASN 1026Ca 0.06 -0.13 0.14 0.00 1.87 0.00 0.00 56.30 58.23 1rke h ASN 1026Cb 0.20 -0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.73 1rke h ASN 1026CO -0.00 0.14 0.54 0.00 -0.37 0.00 0.00 177.43 177.73 1rke h ALA 1027N 0.87 1.94 -0.10 1.57 0.00 -0.98 0.94 119.26 123.49 1rke h ALA 1027Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1rke h ALA 1027Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rke h ALA 1027CO -0.00 -0.15 -0.61 1.96 0.00 0.00 0.00 179.25 180.45 1rke h GLN 1028N 0.58 0.34 -0.63 0.00 4.20 -0.98 -1.24 115.11 117.38 1rke h GLN 1028Ca 0.40 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1rke h GLN 1028Cb 0.73 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1rke h GLN 1028CO -0.16 0.84 0.12 -0.91 -0.67 0.00 0.00 178.83 178.05 1rke h ASN 1029N 0.25 0.96 0.21 1.46 -0.26 -0.30 -2.03 115.58 115.87 1rke h ASN 1029Ca -0.01 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 1rke h ASN 1029Cb 1.13 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 1rke h ASN 1029CO 0.10 0.94 -0.10 0.25 -1.06 0.00 0.00 177.43 177.56 1rke h LEU 1030N 0.95 -0.24 -1.14 1.61 5.85 -0.68 -1.16 115.31 120.50 1rke h LEU 1030Ca 0.20 -0.17 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1rke h LEU 1030Cb 0.39 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1rke h LEU 1030CO 0.01 0.04 0.61 0.24 -0.34 0.00 0.00 178.44 179.00 1rke h MET 1031N -0.53 0.68 0.16 1.25 2.86 -1.22 -1.67 114.93 116.46 1rke h MET 1031Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1rke h MET 1031Cb 0.40 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1rke h MET 1031CO 0.05 0.45 -0.08 0.37 1.06 0.00 0.00 176.91 178.76 1rke h GLN 1032N 0.70 -0.21 -0.84 1.72 4.15 -1.09 -1.75 115.11 117.80 1rke h GLN 1032Ca 0.54 0.01 0.08 0.00 0.77 0.00 0.00 58.65 60.06 1rke h GLN 1032Cb 0.92 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.60 1rke h GLN 1032CO -0.31 0.14 0.55 0.77 -1.93 0.00 0.00 178.83 178.04 1rke h SER 1033N -0.59 0.78 -0.17 -0.69 0.02 -0.79 -0.28 113.55 111.83 1rke h SER 1033Ca -0.02 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 1rke h SER 1033Cb 0.44 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.84 1rke h SER 1033CO 0.04 0.48 -0.67 0.58 -1.14 0.00 0.00 176.83 176.12 1rke h VAL 1034N 0.87 1.29 -0.28 2.27 2.07 -1.23 -0.03 116.25 121.22 1rke h VAL 1034Ca 0.37 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 66.04 1rke h VAL 1034Cb 0.31 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1rke h VAL 1034CO -0.14 0.60 0.10 0.11 0.02 0.00 0.00 177.57 178.25 1rke h LYS 1035N 0.47 0.22 -0.16 1.57 1.57 -0.95 -0.63 116.57 118.66 1rke h LYS 1035Ca -0.04 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1rke h LYS 1035Cb 1.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1rke h LYS 1035CO 0.14 0.14 -0.07 0.93 -0.57 0.00 0.00 179.45 180.03 1rke h GLU 1036N 0.22 0.25 -0.43 3.15 5.08 -0.92 -2.45 114.58 119.48 1rke h GLU 1036Ca 0.12 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1rke h GLU 1036Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1rke h GLU 1036CO -0.12 0.33 -0.12 1.15 -1.00 0.00 0.00 179.01 179.25 1rke h THR 1037N 0.24 1.27 -0.52 1.13 2.02 0.12 -1.60 112.91 115.57 1rke h THR 1037Ca 0.05 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 66.06 1rke h THR 1037Cb 0.28 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1rke h THR 1037CO 0.01 0.42 0.23 0.58 0.37 0.00 0.00 175.52 177.13 1rke h VAL 1038N 0.68 0.88 -0.18 3.16 2.07 -0.70 -1.23 116.25 120.93 1rke h VAL 1038Ca 0.11 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 1rke h VAL 1038Cb 0.66 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1rke h VAL 1038CO 0.05 0.08 -0.46 0.03 0.02 0.00 0.00 177.57 177.28 1rke h ARG 1039N 0.43 0.62 -0.60 1.57 3.08 -1.36 -1.50 114.38 116.62 1rke h ARG 1039Ca 0.24 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1rke h ARG 1039Cb 0.22 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1rke h ARG 1039CO -0.21 1.05 0.22 0.93 -1.07 0.00 0.00 179.97 180.89 1rke h GLU 1040N 0.29 0.91 -0.39 0.04 4.39 -1.11 -1.36 114.58 117.35 1rke h GLU 1040Ca -0.01 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 1rke h GLU 1040Cb 1.08 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1rke h GLU 1040CO 0.10 0.79 0.02 0.00 -1.16 0.00 0.00 179.01 178.76 1rke h ALA 1041N 1.08 1.30 -0.57 3.43 0.00 -1.24 0.13 119.26 123.39 1rke h ALA 1041Ca 0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1rke h ALA 1041Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rke h ALA 1041CO -0.01 0.48 -0.04 1.49 0.00 0.00 0.00 179.25 181.17 1rke h GLU 1042N 0.59 1.03 -0.07 0.00 4.22 -0.85 -2.56 114.58 116.93 1rke h GLU 1042Ca 0.12 -0.35 -0.10 0.00 0.08 0.00 0.00 59.36 59.12 1rke h GLU 1042Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1rke h GLU 1042CO 0.01 1.03 -0.41 0.00 -2.18 0.00 0.00 179.01 177.47 1rke h ALA 1043N 0.96 1.18 0.00 2.92 0.00 -0.87 -2.62 119.26 120.84 1rke h ALA 1043Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rke h ALA 1043Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rke h ALA 1043CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1rke n ALA 1044N -2.47 1.84 1.10 0.00 0.00 0.40 -2.44 120.51 118.95 1rke n ALA 1044Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1rke n ALA 1044Cb 0.46 -1.31 0.33 0.00 0.00 0.00 0.00 19.45 18.93 1rke n ALA 1044CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rke n SER 1045N -1.58 0.65 0.00 0.00 3.41 -0.99 -3.97 113.62 111.14 1rke n SER 1045Ca 0.04 -0.45 -0.18 0.00 -0.26 0.00 0.00 58.87 58.03 1rke n SER 1045Cb 0.22 0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.20 1rke n SER 1045CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1rke h ILE 1046N 0.42 1.60 -3.53 -1.33 2.04 -1.58 -3.41 117.51 111.73 1rke h ILE 1046Ca 0.00 -2.46 -0.70 0.00 1.00 0.00 0.00 64.86 62.70 1rke h ILE 1046Cb 0.49 3.25 -0.35 0.00 -0.74 0.00 0.00 36.82 39.48 1rke h ILE 1046CO 0.00 0.67 -0.39 -1.59 0.00 0.00 0.00 178.15 176.85 1rke s LYS 1047N -2.35 2.50 0.37 2.37 -2.85 -1.25 -5.08 119.74 113.45 1rke s LYS 1047Ca -0.16 -2.44 0.08 0.00 -1.00 0.00 0.00 55.97 52.44 1rke s LYS 1047Cb -0.00 -3.72 -0.02 0.00 -2.06 0.00 0.00 37.83 32.02 1rke s LYS 1047CO 0.77 -1.16 0.32 0.42 0.10 0.00 0.00 175.35 175.80 1rke s ILE 1048N 0.08 3.10 0.24 3.79 1.01 -1.26 -3.77 121.20 124.39 1rke s ILE 1048Ca 0.16 -1.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.18 1rke s ILE 1048Cb -0.21 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 1rke s ILE 1048CO -0.03 -0.09 0.86 -0.60 0.00 0.00 0.00 174.94 175.07 1rke s ARG 1049N -4.05 4.58 0.22 2.79 3.52 -0.85 -4.77 118.95 120.39 1rke s ARG 1049Ca 0.44 1.23 0.03 0.00 -0.13 0.00 0.00 55.73 57.30 1rke s ARG 1049Cb -0.04 -3.06 0.19 0.00 -1.56 0.00 0.00 34.95 30.48 1rke s ARG 1049CO 0.27 0.44 1.52 1.15 -0.81 0.00 0.00 175.30 177.87 1rke h THR 1050N 2.96 1.39 -0.05 4.11 2.02 -2.00 -3.18 112.91 118.17 1rke h THR 1050Ca -0.47 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 1rke h THR 1050Cb 1.20 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1rke h THR 1050CO 0.66 0.60 0.01 0.47 0.37 0.00 0.00 175.52 177.64 1rke n ASP 1051N -3.86 1.72 -4.93 4.18 8.00 -1.26 -4.93 116.55 115.48 1rke n ASP 1051Ca -0.03 -2.07 -0.23 0.00 0.71 0.00 0.00 54.79 53.16 1rke n ASP 1051Cb 0.64 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1rke n ASP 1051CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rke s ALA 1052N -0.92 3.87 -0.51 2.24 0.00 -1.20 -5.06 121.76 120.18 1rke s ALA 1052Ca 0.04 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1rke s ALA 1052Cb 0.03 -1.66 0.21 0.00 0.00 0.00 0.00 23.12 21.69 1rke s ALA 1052CO 0.01 0.37 0.50 0.41 0.00 0.00 0.00 175.76 177.05 1rke n GLY 1053N -0.99 3.26 0.00 0.00 0.00 -1.26 -5.05 105.19 101.15 1rke n GLY 1053Ca -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1rke n GLY 1053CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rke n PHE 1054N 1.87 0.00 -3.45 1.61 7.35 -1.26 -5.16 117.46 118.42 1rke n PHE 1054Ca 0.25 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.95 1rke n PHE 1054Cb 0.45 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.24 1rke n PHE 1054CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1rke s THR 1055N -1.39 -0.61 -0.07 -2.13 2.01 -1.26 -5.08 115.64 107.11 1rke s THR 1055Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1rke s THR 1055Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1rke s THR 1055CO 0.00 0.00 0.46 -0.76 -0.69 0.00 0.00 174.62 173.63 1rke s LEU 1056N 2.56 4.36 -0.16 4.42 1.43 -1.26 -4.90 118.68 125.13 1rke s LEU 1056Ca -0.03 0.89 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 1rke s LEU 1056Cb -0.07 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1rke s LEU 1056CO -0.18 0.13 0.62 -0.60 0.23 0.00 0.00 176.35 176.55 1rke s ARG 1057N -0.06 4.28 -0.54 1.70 3.52 0.41 -4.99 118.95 123.28 1rke s ARG 1057Ca 0.25 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.53 1rke s ARG 1057Cb -0.16 -3.52 0.14 0.00 -1.56 0.00 0.00 34.95 29.84 1rke s ARG 1057CO 0.12 -0.10 0.30 -1.58 -0.81 0.00 0.00 175.30 173.22 1rke s TRP 1058N 1.45 3.23 -0.13 5.12 0.52 -1.26 -4.38 118.94 123.48 1rke s TRP 1058Ca 0.30 -3.13 0.03 0.00 0.02 0.00 0.00 56.10 53.32 1rke s TRP 1058Cb -0.16 -2.86 0.01 0.00 -1.15 0.00 0.00 33.47 29.30 1rke s TRP 1058CO 0.12 -0.74 -0.21 0.08 0.02 0.00 0.00 176.95 176.21 1rke s VAL 1059N -0.33 1.97 0.87 4.03 1.01 -1.26 -5.06 120.40 121.64 1rke s VAL 1059Ca 0.17 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1rke s VAL 1059Cb -0.24 -1.74 0.12 0.00 0.00 0.00 0.00 36.38 34.51 1rke s VAL 1059CO -0.01 0.54 1.12 -0.13 0.00 0.00 0.00 175.10 176.62 1rke s ARG 1060N 0.74 1.40 -0.23 2.72 1.81 -1.26 -1.01 118.95 123.12 1rke s ARG 1060Ca -0.09 1.38 -0.03 0.00 -1.72 0.00 0.00 55.73 55.27 1rke s ARG 1060Cb -0.16 -1.78 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 1rke s ARG 1060CO 0.00 -2.31 -0.06 0.15 -0.68 0.00 0.00 175.30 172.40 1rke s LYS 1061N -4.74 3.16 -0.21 3.54 1.02 -0.44 -4.58 119.74 117.48 1rke s LYS 1061Ca 0.65 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.77 1rke s LYS 1061Cb -0.21 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1rke s LYS 1061CO 0.57 -0.27 0.13 0.99 -0.92 0.00 0.00 175.35 175.86 1rke s THR 1062N 1.41 5.34 -2.98 2.17 2.01 -1.26 -4.92 115.64 117.41 1rke s THR 1062Ca 0.04 0.17 0.24 0.00 0.31 0.00 0.00 61.69 62.45 1rke s THR 1062Cb -0.15 -3.45 0.20 0.00 0.01 0.00 0.00 72.50 69.11 1rke s THR 1062CO -0.05 0.41 1.28 -0.81 -0.69 0.00 0.00 174.62 174.76