#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2u n GLU 883 N 0.00 0.00 -0.77 -0.67 -0.00 -1.26 -4.93 120.64 113.01 3h2u n GLU 883 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.85 3h2u n GLU 883 Cb 0.00 -0.87 0.17 0.00 -0.00 0.00 0.00 31.44 30.73 3h2u n GLU 883 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3h2u s GLU 884 N -0.60 0.93 -0.38 3.44 -6.30 -1.26 -4.97 118.70 109.57 3h2u s GLU 884 Ca 0.55 1.37 -0.18 0.00 -2.50 0.00 0.00 54.97 54.21 3h2u s GLU 884 Cb -0.79 -1.73 0.01 0.00 0.00 0.00 0.00 34.13 31.62 3h2u s GLU 884 CO 0.44 -2.63 0.51 0.12 0.02 0.00 0.00 175.26 173.72 3h2u s PHE 885 N -2.67 3.16 1.05 5.30 5.36 -1.26 -5.07 117.98 123.85 3h2u s PHE 885 Ca 0.66 0.01 -0.14 0.00 -0.96 0.00 0.00 56.93 56.50 3h2u s PHE 885 Cb -0.22 -2.98 0.15 0.00 -0.34 0.00 0.00 43.02 39.63 3h2u s PHE 885 CO 0.59 -0.62 0.63 -0.35 -1.46 0.00 0.00 175.22 174.00 3h2u n PRO 886 N 5.78 -1.27 -2.48 10.12 -0.04 -1.26 -5.03 135.00 140.82 3h2u n PRO 886 Ca -0.05 -0.33 -0.23 0.00 -0.04 0.00 0.00 63.50 62.84 3h2u n PRO 886 Cb 0.48 -2.02 0.13 0.00 -0.04 0.00 0.00 33.50 32.06 3h2u n PRO 886 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h2u n GLU 887 N -3.25 -0.22 -1.64 0.54 1.02 -1.26 -5.12 120.64 110.71 3h2u n GLU 887 Ca 0.05 -2.63 -0.21 0.00 -0.02 0.00 0.00 57.16 54.35 3h2u n GLU 887 Cb 0.56 -0.72 0.14 0.00 -0.02 0.00 0.00 31.44 31.39 3h2u n GLU 887 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3h2u n GLN 888 N -2.92 -0.74 0.00 3.49 7.27 -1.26 -5.09 117.38 118.13 3h2u n GLN 888 Ca 0.16 -1.73 0.00 0.00 0.07 0.00 0.00 57.00 55.51 3h2u n GLN 888 Cb 0.58 -0.92 0.00 0.00 2.41 0.00 0.00 30.24 32.31 3h2u n GLN 888 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3h2u n LYS 889 N -2.99 0.00 -0.13 3.69 5.02 -1.26 -5.07 118.16 117.42 3h2u n LYS 889 Ca 0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 3h2u n LYS 889 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3h2u n LYS 889 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2u h ALA 890 N 2.00 0.51 0.00 7.82 0.00 -2.05 -3.47 119.26 124.06 3h2u h ALA 890 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h2u h ALA 890 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3h2u h ALA 890 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3h2u n GLY 891 N -1.21 -0.33 0.00 0.00 0.00 -1.26 -4.67 105.19 97.73 3h2u n GLY 891 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3h2u n GLY 891 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h2u n GLU 892 N -3.26 0.00 -3.49 1.61 4.07 -1.26 -5.07 120.64 113.23 3h2u n GLU 892 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3h2u n GLU 892 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 3h2u n GLU 892 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3h2u s VAL 893 N -1.93 5.03 0.21 6.31 1.01 -1.26 -4.96 120.40 124.81 3h2u s VAL 893 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 3h2u s VAL 893 Cb 0.00 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3h2u s VAL 893 CO 0.00 -0.34 0.45 0.27 0.00 0.00 0.00 175.10 175.49 3h2u s ILE 894 N 1.63 0.02 -0.32 2.22 -4.36 -1.26 -4.71 121.20 114.43 3h2u s ILE 894 Ca 0.04 -1.18 -0.16 0.00 -0.26 0.00 0.00 60.65 59.09 3h2u s ILE 894 Cb -0.20 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 3h2u s ILE 894 CO 0.08 -0.11 0.41 0.21 0.24 0.00 0.00 174.94 175.78 3h2u s ASN 895 N -2.95 6.25 0.10 4.36 2.47 0.99 -4.96 114.94 121.20 3h2u s ASN 895 Ca 0.16 0.02 -0.18 0.00 0.42 0.00 0.00 52.86 53.29 3h2u s ASN 895 Cb -0.00 -2.22 -0.06 0.00 -1.45 0.00 0.00 41.25 37.51 3h2u s ASN 895 CO 0.03 -0.33 1.57 1.56 -3.72 0.00 0.00 177.10 176.21 3h2u h GLN 896 N 8.35 0.49 -0.56 0.43 4.20 -1.99 -1.85 115.11 124.19 3h2u h GLN 896 Ca -0.30 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.31 3h2u h GLN 896 Cb 1.14 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 3h2u h GLN 896 CO 0.70 0.60 0.37 -1.35 -0.67 0.00 0.00 178.83 178.49 3h2u h PRO 897 N 0.30 0.61 -0.21 1.46 0.11 -1.99 0.19 132.00 132.47 3h2u h PRO 897 Ca 0.09 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.00 3h2u h PRO 897 Cb 0.36 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3h2u h PRO 897 CO 0.01 0.40 -0.49 0.52 -0.21 0.00 0.00 178.00 178.23 3h2u h MET 898 N 0.63 0.70 -0.10 1.05 2.86 -1.88 -1.35 114.93 116.84 3h2u h MET 898 Ca 0.23 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 3h2u h MET 898 Cb 0.12 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3h2u h MET 898 CO -0.06 1.10 -0.24 1.98 1.06 0.00 0.00 176.91 180.75 3h2u h MET 899 N 0.41 0.16 0.08 1.72 1.85 -0.54 -0.53 114.93 118.10 3h2u h MET 899 Ca -0.00 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3h2u h MET 899 Cb 1.10 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.11 3h2u h MET 899 CO 0.11 0.40 -0.04 1.98 -0.40 0.00 0.00 176.91 178.95 3h2u h MET 900 N 0.15 -0.11 -0.49 0.39 -1.53 -0.52 0.12 114.93 112.94 3h2u h MET 900 Ca 0.03 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.37 3h2u h MET 900 Cb 0.51 0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 31.52 3h2u h MET 900 CO 0.03 0.16 0.14 0.00 0.14 0.00 0.00 176.91 177.38 3h2u h ALA 901 N 0.51 0.58 -0.06 0.39 0.00 -1.00 0.16 119.26 119.84 3h2u h ALA 901 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h2u h ALA 901 Cb 0.32 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3h2u h ALA 901 CO 0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 179.25 178.87 3h2u h ALA 902 N 1.36 -0.10 -0.87 0.00 0.00 -0.90 -2.08 119.26 116.66 3h2u h ALA 902 Ca 0.24 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3h2u h ALA 902 Cb 0.29 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3h2u h ALA 902 CO -0.28 -0.60 0.54 -0.09 0.00 0.00 0.00 179.25 178.81 3h2u h ARG 903 N -0.19 0.94 -0.58 0.00 2.43 0.33 0.89 114.38 118.20 3h2u h ARG 903 Ca 0.07 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3h2u h ARG 903 Cb 0.28 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3h2u h ARG 903 CO -0.17 0.62 0.31 1.96 -1.51 0.00 0.00 179.97 181.18 3h2u h GLN 904 N 0.97 0.57 -0.18 0.20 7.50 -0.31 0.71 115.11 124.58 3h2u h GLN 904 Ca 0.39 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.45 3h2u h GLN 904 Cb 0.20 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.60 3h2u h GLN 904 CO -0.18 0.37 -0.10 1.25 -1.50 0.00 0.00 178.83 178.67 3h2u h LEU 905 N 0.58 0.39 -0.49 1.46 5.85 -0.66 -3.04 115.31 119.41 3h2u h LEU 905 Ca 0.26 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.65 3h2u h LEU 905 Cb 0.15 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 3h2u h LEU 905 CO -0.17 0.73 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.87 3h2u h HIS 906 N 0.05 -0.13 -0.02 1.25 2.76 -0.37 -0.86 115.15 117.83 3h2u h HIS 906 Ca 0.04 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3h2u h HIS 906 Cb 0.59 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 3h2u h HIS 906 CO 0.07 -0.16 -0.07 -0.44 -1.30 0.00 0.00 177.93 176.03 3h2u h ASP 907 N 0.06 0.03 0.06 3.26 3.32 -0.87 0.27 116.42 122.55 3h2u h ASP 907 Ca 0.24 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h2u h ASP 907 Cb 0.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3h2u h ASP 907 CO -0.45 0.10 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.06 3h2u h GLU 908 N 0.03 -0.08 -0.20 3.56 4.57 -1.06 -3.31 114.58 118.09 3h2u h GLU 908 Ca 0.01 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3h2u h GLU 908 Cb 0.14 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3h2u h GLU 908 CO 0.01 0.45 0.14 0.00 -1.18 0.00 0.00 179.01 178.42 3h2u h ALA 909 N -0.37 1.96 -0.86 2.92 0.00 -1.32 -2.93 119.26 118.66 3h2u h ALA 909 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h2u h ALA 909 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3h2u h ALA 909 CO 0.01 0.01 0.56 -0.09 0.00 0.00 0.00 179.25 179.74 3h2u h ARG 910 N 0.18 1.14 0.00 0.00 2.43 -1.03 -1.11 114.38 116.00 3h2u h ARG 910 Ca 0.08 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3h2u h ARG 910 Cb 0.11 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3h2u h ARG 910 CO -0.01 0.77 0.00 1.63 -1.51 0.00 0.00 179.97 180.84 3h2u n LYS 911 N -4.39 0.01 -4.29 0.20 5.02 -1.11 -4.56 118.16 109.03 3h2u n LYS 911 Ca 0.10 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.53 3h2u n LYS 911 Cb 0.03 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 3h2u n LYS 911 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3h2u s TRP 912 N -3.02 2.60 0.34 2.13 0.52 -0.42 -1.01 118.94 120.08 3h2u s TRP 912 Ca 0.02 -0.23 -0.26 0.00 0.02 0.00 0.00 56.10 55.65 3h2u s TRP 912 Cb 0.03 -1.32 -0.10 0.00 -1.15 0.00 0.00 33.47 30.94 3h2u s TRP 912 CO 0.10 0.46 1.00 0.45 0.02 0.00 0.00 176.95 178.97 3h2u s SER 913 N -2.49 7.12 0.12 2.95 0.15 -0.60 -4.75 113.70 116.21 3h2u s SER 913 Ca 0.22 1.96 0.24 0.00 0.70 0.00 0.00 55.95 59.06 3h2u s SER 913 Cb -0.10 -2.59 0.29 0.00 -1.71 0.00 0.00 66.02 61.92 3h2u s SER 913 CO 0.13 -0.23 1.28 0.28 1.20 0.00 0.00 173.24 175.90 3h2u h SER 914 N 3.01 0.00 -2.43 5.45 0.02 -1.91 -3.42 113.55 114.26 3h2u h SER 914 Ca -0.47 -0.21 -0.57 0.00 -0.84 0.00 0.00 61.79 59.70 3h2u h SER 914 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3h2u h SER 914 CO 0.64 0.10 1.29 -0.75 -1.14 0.00 0.00 176.83 176.98 3h2u s LYS 915 N -3.19 3.56 0.00 3.45 2.36 -1.26 -1.20 119.74 123.46 3h2u s LYS 915 Ca 0.05 1.91 0.00 0.00 -2.55 0.00 0.00 55.97 55.38 3h2u s LYS 915 Cb 0.13 -4.20 0.00 0.00 -1.05 0.00 0.00 37.83 32.71 3h2u s LYS 915 CO 0.73 -1.60 0.00 0.41 1.55 0.00 0.00 175.35 176.45 3h2u n GLY 916 N 5.13 0.66 2.66 5.54 0.00 -1.26 -4.75 105.19 113.16 3h2u n GLY 916 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 3h2u n GLY 916 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h2u s ASN 917 N -2.01 2.13 0.45 1.61 3.84 -0.34 -1.58 114.94 119.04 3h2u s ASN 917 Ca 0.00 -1.42 0.25 0.00 0.21 0.00 0.00 52.86 51.90 3h2u s ASN 917 Cb 0.00 0.17 0.62 0.00 -0.55 0.00 0.00 41.25 41.49 3h2u s ASN 917 CO 0.00 -0.34 1.70 0.44 -2.79 0.00 0.00 177.10 176.11 3h2u h ASP 918 N 7.65 0.00 -0.58 -4.21 3.32 -1.94 -2.24 116.42 118.41 3h2u h ASP 918 Ca -0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3h2u h ASP 918 Cb 1.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3h2u h ASP 918 CO 0.30 0.09 0.01 0.40 -1.72 0.00 0.00 179.24 178.32 3h2u h ILE 919 N 0.00 1.26 -0.27 0.35 2.04 -1.94 -0.68 117.51 118.27 3h2u h ILE 919 Ca -0.00 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 3h2u h ILE 919 Cb 0.91 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3h2u h ILE 919 CO 0.01 0.41 -0.12 0.40 0.00 0.00 0.00 178.15 178.85 3h2u h ILE 920 N 0.92 1.29 -0.38 -0.67 1.08 -1.84 -0.00 117.51 117.91 3h2u h ILE 920 Ca 0.17 -1.19 0.04 0.00 -0.39 0.00 0.00 64.86 63.48 3h2u h ILE 920 Cb 0.54 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3h2u h ILE 920 CO 0.03 0.38 0.16 0.00 -0.69 0.00 0.00 178.15 178.02 3h2u h ALA 921 N 0.75 0.46 -0.37 1.87 0.00 -1.37 -1.75 119.26 118.85 3h2u h ALA 921 Ca 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3h2u h ALA 921 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h2u h ALA 921 CO 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 179.25 178.77 3h2u h ALA 922 N 1.23 0.78 -0.90 0.00 0.00 -1.02 -2.81 119.26 116.54 3h2u h ALA 922 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h2u h ALA 922 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3h2u h ALA 922 CO -0.15 0.65 0.57 0.00 0.00 0.00 0.00 179.25 180.32 3h2u h ALA 923 N 0.99 1.31 -0.44 0.00 0.00 -0.79 -0.39 119.26 119.94 3h2u h ALA 923 Ca 0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3h2u h ALA 923 Cb 0.83 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h2u h ALA 923 CO 0.07 0.62 -0.16 0.87 0.00 0.00 0.00 179.25 180.65 3h2u h LYS 924 N 1.24 0.82 -0.33 0.00 1.57 -1.13 -1.88 116.57 116.86 3h2u h LYS 924 Ca 0.33 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3h2u h LYS 924 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3h2u h LYS 924 CO -0.07 0.93 -0.04 0.00 -0.57 0.00 0.00 179.45 179.70 3h2u h ARG 925 N 0.73 0.61 -0.56 3.15 3.08 -1.16 -2.36 114.38 117.87 3h2u h ARG 925 Ca 0.11 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3h2u h ARG 925 Cb 0.67 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3h2u h ARG 925 CO 0.05 0.76 0.35 0.52 -1.07 0.00 0.00 179.97 180.58 3h2u h MET 926 N 0.40 0.68 -0.04 0.04 2.86 -0.81 0.71 114.93 118.78 3h2u h MET 926 Ca 0.09 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3h2u h MET 926 Cb 0.51 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3h2u h MET 926 CO 0.02 0.45 0.01 0.00 1.06 0.00 0.00 176.91 178.46 3h2u h ALA 927 N 1.23 0.05 -0.79 6.32 0.00 -1.33 0.17 119.26 124.91 3h2u h ALA 927 Ca 0.22 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3h2u h ALA 927 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3h2u h ALA 927 CO -0.08 -0.36 0.52 -0.07 0.00 0.00 0.00 179.25 179.27 3h2u h LEU 928 N -0.11 0.86 -0.59 0.00 -0.00 -1.23 -0.53 115.31 113.73 3h2u h LEU 928 Ca 0.01 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 3h2u h LEU 928 Cb 0.18 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 3h2u h LEU 928 CO -0.00 0.60 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.56 3h2u h LEU 929 N 1.01 0.70 -1.30 1.67 3.38 -0.50 -2.05 115.31 118.22 3h2u h LEU 929 Ca 0.31 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h2u h LEU 929 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h2u h LEU 929 CO -0.08 1.03 -0.17 -0.03 0.09 0.00 0.00 178.44 179.28 3h2u h MET 930 N 0.54 0.26 -0.14 1.13 4.05 0.04 0.76 114.93 121.56 3h2u h MET 930 Ca 0.04 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3h2u h MET 930 Cb 0.94 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 3h2u h MET 930 CO 0.09 0.43 0.02 0.00 0.23 0.00 0.00 176.91 177.68 3h2u h ALA 931 N 1.59 0.19 -0.81 0.39 0.00 -0.86 -0.56 119.26 119.20 3h2u h ALA 931 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3h2u h ALA 931 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3h2u h ALA 931 CO 0.03 -0.14 0.44 1.49 0.00 0.00 0.00 179.25 181.06 3h2u h GLU 932 N 0.01 1.12 -0.83 0.00 4.81 -0.74 -1.90 114.58 117.04 3h2u h GLU 932 Ca 0.04 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3h2u h GLU 932 Cb 0.31 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3h2u h GLU 932 CO 0.00 0.82 0.52 1.98 -0.73 0.00 0.00 179.01 181.61 3h2u h MET 933 N 1.13 1.12 0.00 1.92 4.05 -0.37 -0.89 114.93 121.88 3h2u h MET 933 Ca 0.28 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 3h2u h MET 933 Cb 0.03 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.59 3h2u h MET 933 CO -0.05 0.77 0.00 0.66 0.23 0.00 0.00 176.91 178.52 3h2u h SER 934 N 1.14 0.00 0.00 1.39 4.64 -0.26 -1.48 113.55 118.98 3h2u h SER 934 Ca 0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.38 3h2u h SER 934 Cb -0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 3h2u h SER 934 CO -0.06 0.00 -1.43 0.54 -0.87 0.00 0.00 176.83 175.01 3h2u n ARG 935 N -2.39 0.55 -0.33 4.77 1.74 -0.42 -0.00 116.66 120.58 3h2u n ARG 935 Ca -0.01 0.49 0.06 0.00 -0.77 0.00 0.00 57.85 57.63 3h2u n ARG 935 Cb 0.09 -1.67 0.22 0.00 -1.02 0.00 0.00 32.46 30.07 3h2u n ARG 935 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h2u h LEU 936 N -1.00 0.75 -0.20 0.55 3.38 -0.90 -0.37 115.31 117.52 3h2u h LEU 936 Ca -0.37 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3h2u h LEU 936 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3h2u h LEU 936 CO -0.22 0.38 0.00 0.55 0.09 0.00 0.00 178.44 179.24 3h2u n VAL 937 N -4.72 1.31 0.71 1.22 3.14 -0.60 -1.33 118.33 118.06 3h2u n VAL 937 Ca 0.17 0.37 0.05 0.00 -2.96 0.00 0.00 64.34 61.97 3h2u n VAL 937 Cb 0.37 -1.24 0.16 0.00 -1.06 0.00 0.00 33.84 32.07 3h2u n VAL 937 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3h2u n ARG 938 N -1.65 2.05 -0.11 1.45 5.12 -0.15 -5.02 116.66 118.35 3h2u n ARG 938 Ca 0.02 -1.28 0.02 0.00 -1.93 0.00 0.00 57.85 54.67 3h2u n ARG 938 Cb 0.11 -1.42 -0.00 0.00 -1.16 0.00 0.00 32.46 29.99 3h2u n ARG 938 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h2u n GLY 939 N 0.85 -1.41 0.00 -0.13 0.00 -0.45 -5.06 105.19 99.00 3h2u n GLY 939 Ca 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3h2u n GLY 939 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2u n GLY 940 N -1.44 1.01 3.69 -0.02 0.00 -1.26 -4.82 105.19 102.34 3h2u n GLY 940 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3h2u n GLY 940 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2u s SER 941 N 0.00 6.79 -0.33 1.61 0.15 -1.26 -2.78 113.70 117.88 3h2u s SER 941 Ca 0.00 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.83 3h2u s SER 941 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3h2u s SER 941 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 3h2u n GLY 942 N 3.75 0.51 0.21 9.45 0.00 -1.26 -4.92 105.19 112.93 3h2u n GLY 942 Ca 0.14 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3h2u n GLY 942 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h2u h THR 943 N 0.00 0.95 0.90 2.61 1.35 -1.87 -2.99 112.91 113.86 3h2u h THR 943 Ca -0.06 -1.03 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 3h2u h THR 943 Cb 0.60 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3h2u h THR 943 CO 0.09 0.27 -0.43 0.50 -0.25 0.00 0.00 175.52 175.70 3h2u h LYS 944 N 0.00 -1.16 -0.64 4.72 3.64 -1.83 0.72 116.57 122.01 3h2u h LYS 944 Ca -0.00 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3h2u h LYS 944 Cb 0.58 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 3h2u h LYS 944 CO 0.04 -0.78 0.33 0.00 -2.27 0.00 0.00 179.45 176.76 3h2u h ARG 945 N -1.30 0.57 -0.18 1.90 3.08 -1.92 -2.33 114.38 114.21 3h2u h ARG 945 Ca -0.12 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3h2u h ARG 945 Cb 0.93 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3h2u h ARG 945 CO 0.20 0.38 0.05 0.00 -1.07 0.00 0.00 179.97 179.53 3h2u h ALA 946 N 1.36 0.19 -0.08 0.04 0.00 -1.36 -1.73 119.26 117.69 3h2u h ALA 946 Ca 0.30 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3h2u h ALA 946 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h2u h ALA 946 CO -0.21 -0.39 -0.37 1.25 0.00 0.00 0.00 179.25 179.53 3h2u h LEU 947 N 0.13 0.15 -0.15 0.00 5.85 0.79 0.65 115.31 122.73 3h2u h LEU 947 Ca 0.08 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3h2u h LEU 947 Cb 0.06 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3h2u h LEU 947 CO -0.10 0.52 -0.08 0.40 -0.34 0.00 0.00 178.44 178.84 3h2u h ILE 948 N 0.13 1.32 -0.61 4.05 2.04 -1.23 -2.53 117.51 120.69 3h2u h ILE 948 Ca 0.01 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3h2u h ILE 948 Cb 0.71 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3h2u h ILE 948 CO 0.05 0.34 0.24 -0.61 0.00 0.00 0.00 178.15 178.17 3h2u h GLN 949 N -0.01 0.92 -0.50 2.37 5.75 -1.01 -2.44 115.11 120.20 3h2u h GLN 949 Ca 0.03 -0.17 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3h2u h GLN 949 Cb 0.56 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.88 3h2u h GLN 949 CO 0.02 0.78 -0.01 0.00 -2.65 0.00 0.00 178.83 176.97 3h2u h ALA 951 N 1.45 1.40 -0.39 0.00 0.00 -1.29 0.26 119.26 120.69 3h2u h ALA 951 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3h2u h ALA 951 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h2u h ALA 951 CO -0.43 0.49 -0.08 0.87 0.00 0.00 0.00 179.25 180.11 3h2u h LYS 952 N 0.90 0.73 -0.18 0.00 1.57 -0.35 -0.35 116.57 118.90 3h2u h LYS 952 Ca 0.23 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3h2u h LYS 952 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3h2u h LYS 952 CO -0.04 0.87 0.11 -0.44 -0.57 0.00 0.00 179.45 179.38 3h2u h ASP 953 N 0.54 0.17 -0.48 0.86 3.32 -0.15 0.10 116.42 120.80 3h2u h ASP 953 Ca 0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3h2u h ASP 953 Cb 0.59 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3h2u h ASP 953 CO 0.03 0.13 0.31 0.40 -1.72 0.00 0.00 179.24 178.39 3h2u h ILE 954 N 0.22 1.13 -0.46 0.35 2.04 -0.86 -1.50 117.51 118.43 3h2u h ILE 954 Ca 0.07 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.73 3h2u h ILE 954 Cb -0.01 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3h2u h ILE 954 CO -0.03 0.13 0.17 0.00 0.00 0.00 0.00 178.15 178.42 3h2u h ALA 955 N 1.16 0.56 -0.77 1.87 0.00 -0.53 -0.28 119.26 121.27 3h2u h ALA 955 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h2u h ALA 955 Cb -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3h2u h ALA 955 CO -0.04 -0.22 0.43 -0.22 0.00 0.00 0.00 179.25 179.21 3h2u h LYS 956 N 0.35 1.07 -0.54 0.00 3.64 -0.39 -2.66 116.57 118.03 3h2u h LYS 956 Ca 0.22 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3h2u h LYS 956 Cb 0.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3h2u h LYS 956 CO -0.21 0.78 -0.04 0.00 -2.27 0.00 0.00 179.45 177.71 3h2u h ALA 957 N 1.23 0.90 -0.17 5.00 0.00 -0.51 -2.67 119.26 123.04 3h2u h ALA 957 Ca 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3h2u h ALA 957 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h2u h ALA 957 CO -0.05 0.64 0.01 0.66 0.00 0.00 0.00 179.25 180.52 3h2u h SER 958 N 0.87 0.21 -0.09 0.00 4.64 -0.79 -2.60 113.55 115.80 3h2u h SER 958 Ca 0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3h2u h SER 958 Cb 0.57 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3h2u h SER 958 CO 0.03 0.25 0.06 0.44 -0.87 0.00 0.00 176.83 176.74 3h2u h ASP 959 N 0.23 0.10 -0.35 4.97 3.32 -1.14 0.06 116.42 123.62 3h2u h ASP 959 Ca 0.06 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3h2u h ASP 959 Cb 0.14 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3h2u h ASP 959 CO 0.00 0.07 0.01 -0.08 -1.72 0.00 0.00 179.24 177.53 3h2u h GLU 960 N 0.12 0.11 -0.46 3.56 4.81 -1.46 0.40 114.58 121.65 3h2u h GLU 960 Ca 0.03 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3h2u h GLU 960 Cb -0.01 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3h2u h GLU 960 CO -0.01 0.07 0.22 0.28 -0.73 0.00 0.00 179.01 178.84 3h2u h VAL 961 N 0.11 0.94 0.05 0.32 2.07 -1.05 0.25 116.25 118.94 3h2u h VAL 961 Ca 0.17 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3h2u h VAL 961 Cb 0.22 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h2u h VAL 961 CO -0.27 0.08 -0.02 0.74 0.02 0.00 0.00 177.57 178.11 3h2u h THR 962 N 0.43 1.06 0.09 2.57 2.02 -0.65 0.14 112.91 118.58 3h2u h THR 962 Ca 0.20 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 67.03 3h2u h THR 962 Cb 0.13 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3h2u h THR 962 CO -0.15 0.09 -0.21 -0.09 0.37 0.00 0.00 175.52 175.53 3h2u h ARG 963 N -0.23 -0.37 -0.62 6.66 2.43 0.10 -0.64 114.38 121.72 3h2u h ARG 963 Ca -0.01 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3h2u h ARG 963 Cb 0.20 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3h2u h ARG 963 CO 0.01 -0.25 0.15 -0.07 -1.51 0.00 0.00 179.97 178.30 3h2u h LEU 964 N -0.39 0.91 -1.46 3.80 3.38 -0.53 -2.60 115.31 118.43 3h2u h LEU 964 Ca 0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3h2u h LEU 964 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3h2u h LEU 964 CO -0.13 0.89 -0.27 0.00 0.09 0.00 0.00 178.44 179.02 3h2u h ALA 965 N 1.23 1.32 0.01 1.53 0.00 -0.21 -2.83 119.26 120.30 3h2u h ALA 965 Ca 0.20 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3h2u h ALA 965 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3h2u h ALA 965 CO 0.00 0.33 -0.93 0.87 0.00 0.00 0.00 179.25 179.53 3h2u h LYS 966 N 0.00 0.02 -0.62 0.00 1.57 -0.75 -2.41 116.57 114.37 3h2u h LYS 966 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3h2u h LYS 966 Cb 0.55 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3h2u h LYS 966 CO 0.03 0.93 0.15 0.93 -0.57 0.00 0.00 179.45 180.92 3h2u h GLU 967 N 0.01 0.98 0.04 3.15 4.39 -1.30 -1.36 114.58 120.49 3h2u h GLU 967 Ca -0.02 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 3h2u h GLU 967 Cb 1.63 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3h2u h GLU 967 CO 0.12 0.87 -0.02 0.28 -1.16 0.00 0.00 179.01 179.11 3h2u h VAL 968 N 0.94 1.16 -0.96 3.13 2.07 -1.45 -2.89 116.25 118.25 3h2u h VAL 968 Ca 0.20 -0.61 0.14 0.00 0.82 0.00 0.00 66.70 67.25 3h2u h VAL 968 Cb 0.34 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3h2u h VAL 968 CO 0.00 0.16 0.61 0.00 0.02 0.00 0.00 177.57 178.35 3h2u h ALA 969 N 0.63 1.68 -0.32 1.67 0.00 -1.23 -0.62 119.26 121.07 3h2u h ALA 969 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h2u h ALA 969 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h2u h ALA 969 CO 0.01 0.05 0.17 -0.22 0.00 0.00 0.00 179.25 179.25 3h2u h LYS 970 N 0.83 0.44 -0.02 0.00 3.64 -1.05 -2.85 116.57 117.56 3h2u h LYS 970 Ca 0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3h2u h LYS 970 Cb 0.66 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3h2u h LYS 970 CO -0.26 0.34 -0.27 1.04 -2.27 0.00 0.00 179.45 178.03 3h2u n GLN 971 N -4.44 1.41 -3.27 1.90 1.13 -0.29 -4.95 117.38 108.87 3h2u n GLN 971 Ca 0.02 -1.07 -0.38 0.00 -1.94 0.00 0.00 57.00 53.62 3h2u n GLN 971 Cb 0.10 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 3h2u n GLN 971 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h2u n THR 973 N 3.37 0.00 -3.62 0.00 -2.24 0.17 -4.86 114.28 107.10 3h2u n THR 973 Ca -0.07 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3h2u n THR 973 Cb 0.51 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 3h2u n THR 973 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h2u s ASP 974 N -2.11 5.66 0.20 3.42 -1.08 -1.26 -4.98 116.67 116.51 3h2u s ASP 974 Ca 0.35 -0.61 -0.11 0.00 -0.52 0.00 0.00 52.55 51.66 3h2u s ASP 974 Cb 0.21 -2.03 0.13 0.00 -1.46 0.00 0.00 42.92 39.77 3h2u s ASP 974 CO 0.38 -0.24 1.85 0.50 0.52 0.00 0.00 175.17 178.17 3h2u h LYS 975 N 8.39 0.93 0.37 4.34 3.11 -1.98 0.12 116.57 131.85 3h2u h LYS 975 Ca -0.31 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.45 3h2u h LYS 975 Cb 1.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 3h2u h LYS 975 CO 0.63 0.65 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.53 3h2u h ARG 976 N 0.94 -0.64 -0.36 1.90 2.43 -1.99 -0.94 114.38 115.72 3h2u h ARG 976 Ca 0.25 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3h2u h ARG 976 Cb -0.06 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3h2u h ARG 976 CO -0.05 -0.43 0.07 0.82 -1.51 0.00 0.00 179.97 178.87 3h2u h ILE 977 N -0.67 1.23 -0.67 1.20 2.04 -1.94 -0.60 117.51 118.11 3h2u h ILE 977 Ca -0.03 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3h2u h ILE 977 Cb 0.58 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3h2u h ILE 977 CO -0.01 0.28 0.44 -0.09 0.00 0.00 0.00 178.15 178.76 3h2u h ARG 978 N 0.44 0.81 0.09 2.37 2.43 -0.77 0.33 114.38 120.08 3h2u h ARG 978 Ca 0.11 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3h2u h ARG 978 Cb 0.34 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3h2u h ARG 978 CO 0.01 0.54 -0.04 1.15 -1.51 0.00 0.00 179.97 180.11 3h2u h THR 979 N 0.84 1.13 -0.72 0.20 2.02 -0.95 -0.85 112.91 114.57 3h2u h THR 979 Ca 0.26 -1.35 0.08 0.00 0.77 0.00 0.00 66.41 66.17 3h2u h THR 979 Cb 0.01 1.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 3h2u h THR 979 CO -0.07 0.30 0.40 0.78 0.37 0.00 0.00 175.52 177.30 3h2u h ASN 980 N -0.79 0.57 -0.14 4.18 -0.26 -0.92 0.75 115.58 118.96 3h2u h ASN 980 Ca -0.01 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3h2u h ASN 980 Cb 0.59 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 3h2u h ASN 980 CO 0.02 0.35 0.05 0.25 -1.06 0.00 0.00 177.43 177.04 3h2u h LEU 981 N 0.70 0.07 -0.19 1.61 5.85 -0.32 -0.30 115.31 122.74 3h2u h LEU 981 Ca 0.34 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 3h2u h LEU 981 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3h2u h LEU 981 CO -0.22 0.06 0.04 -0.07 -0.34 0.00 0.00 178.44 177.92 3h2u h LEU 982 N 0.13 0.29 0.00 2.25 3.38 -0.65 -3.19 115.31 117.52 3h2u h LEU 982 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h2u h LEU 982 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3h2u h LEU 982 CO -0.06 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3h2u n GLN 983 N -4.78 0.00 0.00 1.13 6.02 0.21 -1.56 117.38 118.40 3h2u n GLN 983 Ca -0.04 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3h2u n GLN 983 Cb 0.17 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3h2u n GLN 983 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3h2u n VAL 984 N -2.05 0.00 -0.60 5.09 0.24 -0.14 -0.97 118.33 119.91 3h2u n VAL 984 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3h2u n VAL 984 Cb 0.00 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 3h2u n VAL 984 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h2u n GLU 986 N 0.00 0.48 0.04 0.00 4.71 -0.14 -3.45 120.64 122.27 3h2u n GLU 986 Ca 0.00 -0.21 0.10 0.00 -0.01 0.00 0.00 57.16 57.04 3h2u n GLU 986 Cb 0.14 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.98 3h2u n GLU 986 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3h2u n ARG 987 N -1.08 0.64 -0.10 3.49 1.85 -1.25 -4.58 116.66 115.64 3h2u n ARG 987 Ca 0.11 -0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 56.81 3h2u n ARG 987 Cb 0.32 -1.66 -0.05 0.00 -1.05 0.00 0.00 32.46 30.02 3h2u n ARG 987 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3h2u h ILE 988 N 0.00 0.13 -0.84 8.89 2.04 -1.84 -1.41 117.51 124.48 3h2u h ILE 988 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 3h2u h ILE 988 Cb 1.06 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3h2u h ILE 988 CO 0.00 0.00 0.55 -0.65 0.00 0.00 0.00 178.15 178.05 3h2u h PRO 989 N -0.36 0.66 0.39 2.37 0.11 -1.81 -0.16 132.00 133.20 3h2u h PRO 989 Ca 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 3h2u h PRO 989 Cb 0.59 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3h2u h PRO 989 CO -0.53 0.43 -0.19 1.15 -0.21 0.00 0.00 178.00 178.66 3h2u h THR 990 N 0.68 0.55 -0.97 -1.15 2.02 -1.61 -1.07 112.91 111.35 3h2u h THR 990 Ca 0.41 -0.51 0.20 0.00 0.77 0.00 0.00 66.41 67.28 3h2u h THR 990 Cb 0.63 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 3h2u h THR 990 CO -0.17 0.09 0.62 0.40 0.37 0.00 0.00 175.52 176.82 3h2u h ILE 991 N -0.84 0.68 -0.03 3.11 2.04 -0.45 -1.06 117.51 120.95 3h2u h ILE 991 Ca -0.05 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3h2u h ILE 991 Cb 0.54 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3h2u h ILE 991 CO 0.09 0.11 -0.00 0.28 0.00 0.00 0.00 178.15 178.62 3h2u h SER 992 N 0.59 0.05 -0.17 1.72 0.02 -0.90 -1.30 113.55 113.56 3h2u h SER 992 Ca 0.54 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3h2u h SER 992 Cb 1.07 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 3h2u h SER 992 CO -0.29 0.37 -0.08 0.74 -1.14 0.00 0.00 176.83 176.43 3h2u h THR 993 N -0.28 0.74 -0.53 -2.27 2.02 -0.61 -1.02 112.91 110.96 3h2u h THR 993 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3h2u h THR 993 Cb 0.35 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3h2u h THR 993 CO 0.00 0.00 0.35 1.56 0.37 0.00 0.00 175.52 177.81 3h2u h GLN 994 N -0.07 0.44 -0.31 6.66 4.20 -1.14 -1.40 115.11 123.49 3h2u h GLN 994 Ca 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3h2u h GLN 994 Cb 0.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3h2u h GLN 994 CO -0.21 0.29 0.19 1.25 -0.67 0.00 0.00 178.83 179.68 3h2u h LEU 995 N 0.45 0.37 0.56 1.46 5.85 -0.01 0.30 115.31 124.29 3h2u h LEU 995 Ca 0.23 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3h2u h LEU 995 Cb 0.34 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3h2u h LEU 995 CO -0.06 0.31 -0.42 0.11 -0.34 0.00 0.00 178.44 178.04 3h2u h LYS 996 N 0.40 -0.92 -0.58 1.25 1.57 -0.29 0.20 116.57 118.20 3h2u h LYS 996 Ca 0.11 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.06 3h2u h LYS 996 Cb 0.01 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 3h2u h LYS 996 CO -0.02 -0.61 -0.31 0.82 -0.57 0.00 0.00 179.45 178.75 3h2u h ILE 997 N -0.96 0.20 -0.15 1.86 2.04 -1.01 -0.53 117.51 118.97 3h2u h ILE 997 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3h2u h ILE 997 Cb 0.80 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3h2u h ILE 997 CO 0.02 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.15 3h2u h LEU 998 N -0.15 0.21 -0.42 1.44 3.38 -0.30 -1.60 115.31 117.87 3h2u h LEU 998 Ca 0.24 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3h2u h LEU 998 Cb 0.54 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 3h2u h LEU 998 CO -0.66 0.33 -0.16 0.28 0.09 0.00 0.00 178.44 178.32 3h2u h SER 999 N 0.07 -0.56 -0.76 -0.43 0.02 -0.18 -0.10 113.55 111.61 3h2u h SER 999 Ca 0.05 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3h2u h SER 999 Cb 0.19 0.33 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 3h2u h SER 999 CO -0.00 -0.20 0.47 0.74 -1.14 0.00 0.00 176.83 176.70 3h2u h THR 1000N -0.07 1.06 0.94 -2.27 2.02 -1.01 0.66 112.91 114.24 3h2u h THR 1000Ca 0.21 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3h2u h THR 1000Cb 0.39 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3h2u h THR 1000CO -0.48 0.16 -0.49 0.58 0.37 0.00 0.00 175.52 175.67 3h2u h VAL 1001N 0.89 0.00 -1.01 3.16 2.07 -0.42 -0.87 116.25 120.07 3h2u h VAL 1001Ca 0.32 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.98 3h2u h VAL 1001Cb 0.09 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.77 3h2u h VAL 1001CO -0.14 0.00 0.63 0.50 0.02 0.00 0.00 177.57 178.58 3h2u h LYS 1002N -1.31 0.91 -0.76 1.57 1.63 -0.76 0.40 116.57 118.26 3h2u h LYS 1002Ca -0.13 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.67 3h2u h LYS 1002Cb 1.02 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.39 3h2u h LYS 1002CO 0.19 0.60 0.46 0.00 -3.45 0.00 0.00 179.45 177.25 3h2u h ALA 1003N 1.57 1.02 0.00 5.00 0.00 0.46 -1.16 119.26 126.14 3h2u h ALA 1003Ca 0.52 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 3h2u h ALA 1003Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h2u h ALA 1003CO -0.29 0.20 -0.44 1.79 0.00 0.00 0.00 179.25 180.51 3h2u h THR 1004N 0.86 1.31 0.01 0.00 1.35 0.53 -3.04 112.91 113.92 3h2u h THR 1004Ca 0.32 -1.50 -0.22 0.00 -0.55 0.00 0.00 66.41 64.46 3h2u h THR 1004Cb 0.12 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3h2u h THR 1004CO -0.15 0.43 -0.93 0.24 -0.25 0.00 0.00 175.52 174.86 3h2u h MET 1005N 0.00 0.33 -6.05 4.72 2.07 -0.53 -3.44 114.93 112.03 3h2u h MET 1005Ca -0.00 -0.36 -0.79 0.00 -2.07 0.00 0.00 59.70 56.47 3h2u h MET 1005Cb 0.78 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.61 3h2u h MET 1005CO 0.06 1.06 0.95 1.28 1.07 0.00 0.00 176.91 181.32 3h2u n LEU 1006N -3.71 1.61 0.00 1.22 4.77 -0.52 -2.49 117.00 117.90 3h2u n LEU 1006Ca -0.06 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3h2u n LEU 1006Cb 0.83 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3h2u n LEU 1006CO 0.50 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 3h2u n GLY 1007N 4.96 2.04 3.36 -0.72 0.00 -1.26 -4.96 105.19 108.61 3h2u n GLY 1007Ca 0.35 -0.62 -0.61 0.00 0.00 0.00 0.00 46.02 45.14 3h2u n GLY 1007CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2u n ARG 1008N 0.00 0.08 -0.08 1.61 1.74 -1.04 -4.80 116.66 114.16 3h2u n ARG 1008Ca 0.00 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3h2u n ARG 1008Cb 0.00 -1.56 0.37 0.00 -1.02 0.00 0.00 32.46 30.25 3h2u n ARG 1008CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3h2u n THR 1009N 6.06 0.22 -0.52 0.55 -1.04 -1.26 -3.76 114.28 114.53 3h2u n THR 1009Ca 0.50 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.05 62.05 3h2u n THR 1009Cb -0.03 0.42 0.19 0.00 -1.82 0.00 0.00 70.33 69.09 3h2u n THR 1009CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3h2u n ASN 1010N 0.39 3.88 -3.98 8.00 6.94 -1.26 -4.81 115.26 124.42 3h2u n ASN 1010Ca 0.16 -2.98 -0.28 0.00 -0.02 0.00 0.00 54.58 51.47 3h2u n ASN 1010Cb 0.35 -0.70 -0.17 0.00 -2.36 0.00 0.00 39.78 36.90 3h2u n ASN 1010CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 3h2u s ILE 1011N -2.34 1.33 0.32 1.53 -1.16 -1.25 -5.11 121.20 114.52 3h2u s ILE 1011Ca 0.40 -0.50 -0.26 0.00 -0.51 0.00 0.00 60.65 59.79 3h2u s ILE 1011Cb 0.33 -1.27 -0.14 0.00 0.61 0.00 0.00 42.46 41.99 3h2u s ILE 1011CO 0.09 0.41 0.68 -1.54 -2.81 0.00 0.00 174.94 171.77 3h2u n SER 1012N 4.66 -0.33 -0.15 4.50 3.41 -1.26 -4.80 113.62 119.64 3h2u n SER 1012Ca -0.16 1.05 -0.07 0.00 -0.26 0.00 0.00 58.87 59.44 3h2u n SER 1012Cb 0.50 -1.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.36 3h2u n SER 1012CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3h2u h ASP 1013N 1.23 0.49 0.28 4.04 3.45 -1.99 -2.24 116.42 121.68 3h2u h ASP 1013Ca -0.37 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 3h2u h ASP 1013Cb 1.39 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3h2u h ASP 1013CO 0.56 0.35 -0.06 -0.33 -1.57 0.00 0.00 179.24 178.19 3h2u h GLU 1014N 0.60 0.00 0.18 3.56 5.08 -1.99 0.66 114.58 122.67 3h2u h GLU 1014Ca 0.18 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.23 3h2u h GLU 1014Cb -0.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.26 3h2u h GLU 1014CO -0.06 0.06 -1.34 0.93 -1.00 0.00 0.00 179.01 177.59 3h2u h GLU 1015N 0.00 0.57 -0.08 2.33 5.08 -1.76 -2.78 114.58 117.93 3h2u h GLU 1015Ca -0.00 -0.85 -0.11 0.00 -1.00 0.00 0.00 59.36 57.40 3h2u h GLU 1015Cb 0.22 0.30 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3h2u h GLU 1015CO 0.01 1.39 -0.39 0.66 -1.00 0.00 0.00 179.01 179.68 3h2u h SER 1016N 0.21 0.49 -0.68 1.42 4.64 -1.00 -1.66 113.55 116.97 3h2u h SER 1016Ca -0.21 -0.64 0.05 0.00 -0.47 0.00 0.00 61.79 60.51 3h2u h SER 1016Cb 2.03 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.92 3h2u h SER 1016CO 0.25 1.06 0.40 -0.08 -0.87 0.00 0.00 176.83 177.59 3h2u h GLU 1017N -0.04 0.73 -0.20 4.77 4.57 -1.01 0.19 114.58 123.59 3h2u h GLU 1017Ca -0.03 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3h2u h GLU 1017Cb 1.04 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3h2u h GLU 1017CO 0.08 0.48 -0.26 0.37 -1.18 0.00 0.00 179.01 178.50 3h2u h GLN 1018N 0.75 0.38 -0.13 1.92 5.75 -1.48 -0.32 115.11 121.98 3h2u h GLN 1018Ca 0.29 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3h2u h GLN 1018Cb 0.12 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3h2u h GLN 1018CO -0.15 0.62 0.04 0.00 -2.65 0.00 0.00 178.83 176.69 3h2u h ALA 1019N 1.39 0.17 -0.78 3.38 0.00 -0.07 -1.71 119.26 121.65 3h2u h ALA 1019Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3h2u h ALA 1019Cb 0.65 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3h2u h ALA 1019CO 0.05 -0.20 0.43 1.15 0.00 0.00 0.00 179.25 180.67 3h2u h THR 1020N 0.02 0.88 -0.06 0.00 2.02 -0.28 -1.46 112.91 114.04 3h2u h THR 1020Ca 0.04 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3h2u h THR 1020Cb 0.23 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3h2u h THR 1020CO -0.00 0.13 -0.44 -0.33 0.37 0.00 0.00 175.52 175.25 3h2u h GLU 1021N 0.71 0.13 -0.25 6.66 4.39 -0.75 0.17 114.58 125.64 3h2u h GLU 1021Ca 0.38 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.87 3h2u h GLU 1021Cb 0.37 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3h2u h GLU 1021CO -0.26 0.54 -0.45 0.52 -1.16 0.00 0.00 179.01 178.21 3h2u h MET 1022N 0.11 0.74 -0.20 2.33 2.86 -0.45 -2.14 114.93 118.17 3h2u h MET 1022Ca 0.01 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3h2u h MET 1022Cb 0.82 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3h2u h MET 1022CO 0.06 1.09 0.05 1.25 1.06 0.00 0.00 176.91 180.42 3h2u h LEU 1023N 0.47 0.30 -0.43 1.22 5.85 -1.06 0.23 115.31 121.90 3h2u h LEU 1023Ca 0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3h2u h LEU 1023Cb 1.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3h2u h LEU 1023CO 0.10 0.45 0.24 0.58 -0.34 0.00 0.00 178.44 179.47 3h2u h VAL 1024N 0.13 1.03 -0.37 1.05 2.07 -0.66 0.47 116.25 119.97 3h2u h VAL 1024Ca 0.06 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 3h2u h VAL 1024Cb 0.27 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3h2u h VAL 1024CO 0.00 0.09 -0.15 -0.74 0.02 0.00 0.00 177.57 176.79 3h2u h HIS 1025N 0.49 0.75 -0.22 1.57 -0.00 -1.26 -0.89 115.15 115.58 3h2u h HIS 1025Ca 0.17 -0.14 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 3h2u h HIS 1025Cb 0.03 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 3h2u h HIS 1025CO -0.08 0.79 -0.05 -0.97 -0.00 0.00 0.00 177.93 177.63 3h2u h ASN 1026N 0.61 0.42 -0.66 3.26 -0.73 -0.16 -2.38 115.58 115.94 3h2u h ASN 1026Ca 0.10 -0.36 0.10 0.00 1.87 0.00 0.00 56.30 58.01 3h2u h ASN 1026Cb 0.61 -0.12 -0.07 0.00 0.27 0.00 0.00 38.32 39.01 3h2u h ASN 1026CO 0.04 0.68 0.29 0.00 -0.37 0.00 0.00 177.43 178.07 3h2u h ALA 1027N 0.75 0.89 0.02 1.57 0.00 0.21 -1.38 119.26 121.33 3h2u h ALA 1027Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h2u h ALA 1027Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h2u h ALA 1027CO 0.02 -0.13 -0.07 1.96 0.00 0.00 0.00 179.25 181.03 3h2u h GLN 1028N 0.50 -0.14 -0.37 0.00 4.20 -1.01 0.22 115.11 118.51 3h2u h GLN 1028Ca 0.33 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.12 3h2u h GLN 1028Cb 0.39 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3h2u h GLN 1028CO -0.29 -0.09 0.01 -0.91 -0.67 0.00 0.00 178.83 176.87 3h2u h ASN 1029N -0.14 -0.13 -0.39 1.46 -0.26 -0.89 0.11 115.58 115.34 3h2u h ASN 1029Ca 0.02 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3h2u h ASN 1029Cb 0.17 0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3h2u h ASN 1029CO -0.06 -0.03 0.25 0.25 -1.06 0.00 0.00 177.43 176.78 3h2u h LEU 1030N 0.11 0.45 -0.47 1.61 5.85 -0.84 0.50 115.31 122.52 3h2u h LEU 1030Ca 0.18 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3h2u h LEU 1030Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3h2u h LEU 1030CO -0.30 0.33 0.24 0.24 -0.34 0.00 0.00 178.44 178.62 3h2u h MET 1031N 0.52 0.67 -0.12 1.25 2.86 -0.04 -1.89 114.93 118.18 3h2u h MET 1031Ca 0.14 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3h2u h MET 1031Cb -0.05 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 3h2u h MET 1031CO -0.03 0.55 0.01 0.37 1.06 0.00 0.00 176.91 178.87 3h2u h GLN 1032N 0.62 0.20 -0.89 1.72 5.75 -0.41 -2.08 115.11 120.02 3h2u h GLN 1032Ca 0.16 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.72 3h2u h GLN 1032Cb 0.08 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.53 3h2u h GLN 1032CO -0.02 0.42 0.52 0.77 -2.65 0.00 0.00 178.83 177.86 3h2u h SER 1033N -0.04 0.73 0.37 -0.69 0.02 0.09 -0.47 113.55 113.57 3h2u h SER 1033Ca 0.04 0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 3h2u h SER 1033Cb 0.32 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3h2u h SER 1033CO 0.00 0.39 -0.83 0.58 -1.14 0.00 0.00 176.83 175.84 3h2u h VAL 1034N 0.83 1.42 -0.69 2.27 2.07 -1.30 -1.91 116.25 118.94 3h2u h VAL 1034Ca 0.44 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 65.55 3h2u h VAL 1034Cb 0.45 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3h2u h VAL 1034CO -0.27 0.70 0.22 0.50 0.02 0.00 0.00 177.57 178.74 3h2u h LYS 1035N 0.21 1.05 -0.13 1.57 3.64 -0.64 -1.56 116.57 120.72 3h2u h LYS 1035Ca -0.05 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 3h2u h LYS 1035Cb 1.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3h2u h LYS 1035CO 0.14 0.89 -0.47 0.93 -2.27 0.00 0.00 179.45 178.67 3h2u h GLU 1036N 1.01 0.32 -0.53 1.90 5.08 -0.97 -1.81 114.58 119.58 3h2u h GLU 1036Ca 0.22 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3h2u h GLU 1036Cb 0.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3h2u h GLU 1036CO -0.01 0.72 -0.04 1.15 -1.00 0.00 0.00 179.01 179.83 3h2u h THR 1037N 0.26 1.27 0.95 1.13 2.02 -1.06 0.12 112.91 117.59 3h2u h THR 1037Ca 0.02 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 3h2u h THR 1037Cb 0.92 0.95 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3h2u h THR 1037CO 0.08 0.41 -0.47 0.58 0.37 0.00 0.00 175.52 176.49 3h2u h VAL 1038N 0.84 0.04 -0.92 3.16 2.07 -0.96 0.12 116.25 120.61 3h2u h VAL 1038Ca 0.15 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.82 3h2u h VAL 1038Cb 0.58 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.30 3h2u h VAL 1038CO 0.04 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.17 3h2u h ARG 1039N -1.29 0.71 -0.20 1.57 3.08 -1.26 -1.28 114.38 115.70 3h2u h ARG 1039Ca -0.13 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.67 3h2u h ARG 1039Cb 1.00 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.89 3h2u h ARG 1039CO 0.21 0.47 -0.69 0.93 -1.07 0.00 0.00 179.97 179.81 3h2u h GLU 1040N 0.73 0.79 -0.62 0.04 4.39 -0.64 -2.46 114.58 116.80 3h2u h GLU 1040Ca 0.50 -0.59 0.02 0.00 0.34 0.00 0.00 59.36 59.63 3h2u h GLU 1040Cb 0.69 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 3h2u h GLU 1040CO -0.35 1.21 0.39 0.00 -1.16 0.00 0.00 179.01 179.10 3h2u h ALA 1041N 0.64 0.80 -0.70 3.43 0.00 -0.26 -0.87 119.26 122.31 3h2u h ALA 1041Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3h2u h ALA 1041Cb 1.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3h2u h ALA 1041CO 0.14 0.15 0.14 1.49 0.00 0.00 0.00 179.25 181.18 3h2u h GLU 1042N 0.78 1.13 -0.33 0.00 4.22 -1.21 -2.66 114.58 116.51 3h2u h GLU 1042Ca 0.24 -0.29 0.02 0.00 0.08 0.00 0.00 59.36 59.42 3h2u h GLU 1042Cb -0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3h2u h GLU 1042CO -0.09 1.01 0.16 0.00 -2.18 0.00 0.00 179.01 177.92 3h2u h ALA 1043N 1.07 0.41 0.00 2.92 0.00 -1.00 -2.13 119.26 120.52 3h2u h ALA 1043Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h2u h ALA 1043Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h2u h ALA 1043CO 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.04 3h2u h ALA 1044N 1.18 1.03 0.00 0.00 0.00 -0.83 -2.90 119.26 117.74 3h2u h ALA 1044Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h2u h ALA 1044Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h2u h ALA 1044CO -0.10 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.81 3h2u h SER 1045N 0.00 0.00 -0.23 0.00 4.64 -1.12 0.01 113.55 116.84 3h2u h SER 1045Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h2u h SER 1045Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h2u h SER 1045CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 3h2u n ILE 1046N -2.86 0.67 -2.67 0.95 -0.00 -1.09 -4.46 119.36 109.89 3h2u n ILE 1046Ca -0.02 -0.83 -0.09 0.00 -0.00 0.00 0.00 62.75 61.81 3h2u n ILE 1046Cb 0.10 0.74 0.03 0.00 -0.00 0.00 0.00 39.64 40.51 3h2u n ILE 1046CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3h2u n LYS 1047N 0.52 1.34 -4.06 0.38 5.02 -0.02 -5.10 118.16 116.23 3h2u n LYS 1047Ca 0.10 -3.35 -0.32 0.00 -2.02 0.00 0.00 58.31 52.72 3h2u n LYS 1047Cb 0.37 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3h2u n LYS 1047CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h2u s ILE 1048N -3.33 4.69 0.78 -0.18 -1.09 -1.17 -0.65 121.20 120.25 3h2u s ILE 1048Ca 0.28 -0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.99 3h2u s ILE 1048Cb 0.44 -3.21 0.07 0.00 -1.58 0.00 0.00 42.46 38.17 3h2u s ILE 1048CO 0.02 0.23 1.20 0.00 -1.23 0.00 0.00 174.94 175.15 3h2u s ARG 1049N -2.11 1.86 0.39 2.79 1.70 0.53 -4.79 118.95 119.32 3h2u s ARG 1049Ca 0.27 1.72 -0.26 0.00 -0.47 0.00 0.00 55.73 56.98 3h2u s ARG 1049Cb -0.12 -1.81 -0.09 0.00 -0.57 0.00 0.00 34.95 32.36 3h2u s ARG 1049CO 0.19 -2.04 1.27 -0.08 -1.08 0.00 0.00 175.30 173.56 3h2u s THR 1050N -2.14 2.77 -1.21 4.99 -1.32 -1.26 -3.32 115.64 114.14 3h2u s THR 1050Ca 0.73 0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 61.79 3h2u s THR 1050Cb -0.28 -3.40 -0.01 0.00 -1.51 0.00 0.00 72.50 67.29 3h2u s THR 1050CO 0.49 0.10 0.73 -0.67 -2.21 0.00 0.00 174.62 173.05 3h2u n ASP 1051N 0.21 -3.61 -4.79 8.08 2.03 -1.26 -4.93 116.55 112.27 3h2u n ASP 1051Ca 0.03 -0.93 -0.34 0.00 0.52 0.00 0.00 54.79 54.07 3h2u n ASP 1051Cb 0.44 -3.72 -0.02 0.00 -0.72 0.00 0.00 41.12 37.11 3h2u n ASP 1051CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h2u s ALA 1052N -3.59 2.80 -1.13 -1.67 0.00 -1.21 -4.97 121.76 112.00 3h2u s ALA 1052Ca 0.28 0.65 0.27 0.00 0.00 0.00 0.00 51.96 53.17 3h2u s ALA 1052Cb -0.09 -3.28 0.95 0.00 0.00 0.00 0.00 23.12 20.70 3h2u s ALA 1052CO 0.84 -0.51 1.72 0.41 0.00 0.00 0.00 175.76 178.22 3h2u n GLY 1053N -0.19 -1.29 3.36 0.00 0.00 -1.26 -4.83 105.19 100.98 3h2u n GLY 1053Ca 0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3h2u n GLY 1053CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2u s PHE 1054N -2.90 -0.62 0.01 1.61 5.36 -1.26 -5.17 117.98 115.02 3h2u s PHE 1054Ca 0.16 1.38 -0.07 0.00 -0.96 0.00 0.00 56.93 57.43 3h2u s PHE 1054Cb 0.19 0.27 -0.00 0.00 -0.34 0.00 0.00 43.02 43.13 3h2u s PHE 1054CO 0.58 -0.32 0.13 0.95 -1.46 0.00 0.00 175.22 175.10 3h2u s THR 1055N 0.89 0.09 0.00 0.12 -4.23 -1.26 -4.89 115.64 106.37 3h2u s THR 1055Ca -0.05 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 3h2u s THR 1055Cb -0.06 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 3h2u s THR 1055CO -0.07 -0.42 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.74 3h2u s LEU 1056N -1.53 3.07 -0.16 4.79 1.43 -1.26 -5.00 118.68 120.02 3h2u s LEU 1056Ca -0.13 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 3h2u s LEU 1056Cb -0.07 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3h2u s LEU 1056CO 0.00 0.28 0.70 -0.60 0.23 0.00 0.00 176.35 176.97 3h2u s ARG 1057N -1.36 4.29 -0.56 1.70 3.52 -0.61 -5.00 118.95 120.92 3h2u s ARG 1057Ca 0.16 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 3h2u s ARG 1057Cb -0.11 -3.54 0.14 0.00 -1.56 0.00 0.00 34.95 29.88 3h2u s ARG 1057CO 0.07 -0.19 0.34 -1.58 -0.81 0.00 0.00 175.30 173.13 3h2u s TRP 1058N 1.70 3.33 -0.10 5.12 0.52 -1.26 -4.51 118.94 123.75 3h2u s TRP 1058Ca 0.33 -2.92 0.02 0.00 0.02 0.00 0.00 56.10 53.56 3h2u s TRP 1058Cb -0.16 -3.03 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 3h2u s TRP 1058CO 0.12 -0.81 -0.16 0.08 0.02 0.00 0.00 176.95 176.21 3h2u s VAL 1059N -0.09 1.52 0.65 4.03 1.01 -1.26 -5.05 120.40 121.22 3h2u s VAL 1059Ca 0.16 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3h2u s VAL 1059Cb -0.23 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3h2u s VAL 1059CO -0.02 0.44 1.19 -0.13 0.00 0.00 0.00 175.10 176.58 3h2u s ARG 1060N 0.79 2.64 -0.64 2.72 1.81 -1.26 -1.55 118.95 123.45 3h2u s ARG 1060Ca -0.11 1.74 0.05 0.00 -1.72 0.00 0.00 55.73 55.69 3h2u s ARG 1060Cb -0.16 -1.90 0.30 0.00 -0.45 0.00 0.00 34.95 32.74 3h2u s ARG 1060CO 0.02 -1.44 0.92 1.17 -0.68 0.00 0.00 175.30 175.28 3h2u n LYS 1061N -2.13 3.07 -4.16 3.54 4.81 -0.18 -4.65 118.16 118.46 3h2u n LYS 1061Ca 0.13 -4.77 -0.10 0.00 -0.87 0.00 0.00 58.31 52.70 3h2u n LYS 1061Cb 0.50 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.18 3h2u n LYS 1061CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3h2u s THR 1062N -3.52 0.28 0.00 3.15 -4.23 -1.26 -4.82 115.64 105.23 3h2u s THR 1062Ca 0.44 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3h2u s THR 1062Cb 0.21 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3h2u s THR 1062CO -0.07 -0.57 0.00 -2.65 -0.54 0.00 0.00 174.62 170.79