#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2u s GLU 884 N 0.00 0.39 -0.43 3.49 -6.30 -1.26 -4.97 118.70 109.62 3h2u s GLU 884 Ca 0.00 -0.61 -0.12 0.00 -2.50 0.00 0.00 54.97 51.74 3h2u s GLU 884 Cb 0.00 0.15 0.06 0.00 0.00 0.00 0.00 34.13 34.34 3h2u s GLU 884 CO 0.00 -0.08 0.29 0.12 0.02 0.00 0.00 175.26 175.62 3h2u s PHE 885 N -1.69 3.28 -0.07 5.30 5.36 -1.26 -5.07 117.98 123.84 3h2u s PHE 885 Ca -0.13 -1.17 -0.30 0.00 -0.96 0.00 0.00 56.93 54.37 3h2u s PHE 885 Cb -0.08 -2.90 -0.06 0.00 -0.34 0.00 0.00 43.02 39.65 3h2u s PHE 885 CO -0.01 -0.78 1.71 -1.25 -1.46 0.00 0.00 175.22 173.43 3h2u s PRO 886 N 1.53 4.10 0.38 10.12 0.04 -1.26 -5.02 135.00 144.89 3h2u s PRO 886 Ca 0.03 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 3h2u s PRO 886 Cb -0.22 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.20 3h2u s PRO 886 CO 0.05 -0.96 1.18 -1.83 0.04 0.00 0.00 177.00 175.48 3h2u s GLU 887 N 4.24 4.16 0.23 4.56 4.04 -1.26 -5.21 118.70 129.47 3h2u s GLU 887 Ca 0.76 1.88 0.00 0.00 0.04 0.00 0.00 54.97 57.65 3h2u s GLU 887 Cb -0.34 -2.79 0.00 0.00 0.02 0.00 0.00 34.13 31.03 3h2u s GLU 887 CO 0.31 -0.24 0.00 0.94 -1.84 0.00 0.00 175.26 174.44 3h2u n GLN 888 N 0.30 -1.44 0.00 -4.83 -0.06 -1.26 -5.32 117.38 104.76 3h2u n GLN 888 Ca 0.03 1.14 0.00 0.00 -2.00 0.00 0.00 57.00 56.17 3h2u n GLN 888 Cb 0.46 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.15 3h2u n GLN 888 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3h2u n GLU 892 N -2.26 0.00 -3.28 3.69 4.07 -1.26 -5.26 120.64 116.34 3h2u n GLU 892 Ca -0.01 0.00 -0.46 0.00 -0.06 0.00 0.00 57.16 56.63 3h2u n GLU 892 Cb 0.21 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.54 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 0.00 5.17 0.29 6.31 1.01 -1.26 -5.00 120.40 126.91 3h2u s VAL 893 Ca 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 3h2u s VAL 893 Cb 0.00 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3h2u s VAL 893 CO 0.00 -0.92 0.39 0.27 0.00 0.00 0.00 175.10 174.84 3h2u s ILE 894 N 1.70 0.00 -0.34 2.22 -4.36 -1.26 -4.75 121.20 114.41 3h2u s ILE 894 Ca 0.05 -1.67 -0.13 0.00 -0.26 0.00 0.00 60.65 58.64 3h2u s ILE 894 Cb -0.28 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 3h2u s ILE 894 CO 0.03 0.00 0.26 0.21 0.24 0.00 0.00 174.94 175.68 3h2u s ASN 895 N -3.17 6.08 0.12 4.36 2.47 -0.11 -4.97 114.94 119.71 3h2u s ASN 895 Ca 0.31 -0.40 -0.14 0.00 0.42 0.00 0.00 52.86 53.06 3h2u s ASN 895 Cb 0.01 -2.15 -0.06 0.00 -1.45 0.00 0.00 41.25 37.61 3h2u s ASN 895 CO 0.16 -0.26 1.47 1.56 -3.72 0.00 0.00 177.10 176.32 3h2u h GLN 896 N 8.49 0.77 -0.08 0.43 4.20 -1.98 -2.20 115.11 124.74 3h2u h GLN 896 Ca -0.31 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 57.99 3h2u h GLN 896 Cb 1.15 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3h2u h GLN 896 CO 0.64 0.99 -0.16 -1.35 -0.67 0.00 0.00 178.83 178.28 3h2u h PRO 897 N 0.55 0.12 -0.04 1.46 0.11 -1.98 0.13 132.00 132.34 3h2u h PRO 897 Ca 0.07 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 3h2u h PRO 897 Cb 0.79 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.89 3h2u h PRO 897 CO 0.06 0.29 -0.40 0.52 -0.21 0.00 0.00 178.00 178.27 3h2u h MET 898 N 0.12 0.35 0.00 1.05 2.86 -1.89 -0.80 114.93 116.61 3h2u h MET 898 Ca 0.02 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 3h2u h MET 898 Cb 0.36 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3h2u h MET 898 CO 0.02 0.97 -0.15 1.98 1.06 0.00 0.00 176.91 180.80 3h2u h MET 899 N -0.17 0.00 -0.02 1.72 -1.53 -1.20 0.16 114.93 113.90 3h2u h MET 899 Ca -0.04 0.00 -0.18 0.00 -3.44 0.00 0.00 59.70 56.04 3h2u h MET 899 Cb 1.08 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.14 3h2u h MET 899 CO 0.08 0.15 -0.71 1.98 0.14 0.00 0.00 176.91 178.55 3h2u h MET 900 N 0.00 0.51 -0.26 0.39 -1.53 -0.54 0.40 114.93 113.89 3h2u h MET 900 Ca -0.00 -0.52 -0.10 0.00 -3.44 0.00 0.00 59.70 55.64 3h2u h MET 900 Cb 0.44 0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 3h2u h MET 900 CO 0.02 1.16 -0.26 0.00 0.14 0.00 0.00 176.91 177.97 3h2u h ALA 901 N 0.36 1.08 -0.13 0.39 0.00 -0.62 -1.20 119.26 119.13 3h2u h ALA 901 Ca -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3h2u h ALA 901 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h2u h ALA 901 CO 0.14 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.98 3h2u h ALA 902 N 1.28 0.17 -0.78 0.00 0.00 -0.91 -2.35 119.26 116.67 3h2u h ALA 902 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3h2u h ALA 902 Cb 0.68 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3h2u h ALA 902 CO 0.05 -0.19 0.44 -0.09 0.00 0.00 0.00 179.25 179.46 3h2u h ARG 903 N -0.00 0.75 -0.02 0.00 2.43 -0.44 0.08 114.38 117.18 3h2u h ARG 903 Ca 0.04 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3h2u h ARG 903 Cb 0.27 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3h2u h ARG 903 CO 0.00 0.49 -0.21 1.96 -1.51 0.00 0.00 179.97 180.71 3h2u h GLN 904 N 0.77 -0.31 0.06 0.20 7.50 -0.96 0.86 115.11 123.23 3h2u h GLN 904 Ca 0.36 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.54 3h2u h GLN 904 Cb 0.28 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 3h2u h GLN 904 CO -0.22 -0.21 -0.11 1.25 -1.50 0.00 0.00 178.83 178.04 3h2u h LEU 905 N -0.32 -0.31 -0.63 1.46 5.85 -0.87 -2.50 115.31 117.99 3h2u h LEU 905 Ca 0.06 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3h2u h LEU 905 Cb 0.41 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3h2u h LEU 905 CO -0.20 -0.17 0.25 -0.74 -0.34 0.00 0.00 178.44 177.24 3h2u h HIS 906 N -0.22 0.44 -0.75 1.25 2.76 -0.58 -1.74 115.15 116.31 3h2u h HIS 906 Ca 0.02 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 3h2u h HIS 906 Cb 0.24 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3h2u h HIS 906 CO -0.14 0.12 0.29 -0.44 -1.30 0.00 0.00 177.93 176.45 3h2u h ASP 907 N 0.44 1.03 0.33 3.26 3.32 -0.71 -0.49 116.42 123.61 3h2u h ASP 907 Ca 0.32 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3h2u h ASP 907 Cb 0.39 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3h2u h ASP 907 CO -0.31 0.92 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.90 3h2u h GLU 908 N 1.09 -0.43 0.00 3.56 4.57 -0.96 -3.20 114.58 119.21 3h2u h GLU 908 Ca 0.25 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 3h2u h GLU 908 Cb 0.22 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3h2u h GLU 908 CO -0.02 -0.12 -0.17 0.00 -1.18 0.00 0.00 179.01 177.52 3h2u h ALA 909 N -0.24 1.34 0.00 2.92 0.00 -1.32 -3.21 119.26 118.75 3h2u h ALA 909 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h2u h ALA 909 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h2u h ALA 909 CO 0.08 0.21 0.00 2.89 0.00 0.00 0.00 179.25 182.43 3h2u n ARG 910 N -3.78 0.17 0.03 0.00 1.85 -0.20 -1.60 116.66 113.13 3h2u n ARG 910 Ca -0.02 0.10 0.13 0.00 -1.00 0.00 0.00 57.85 57.06 3h2u n ARG 910 Cb 0.27 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.53 3h2u n ARG 910 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3h2u n LYS 911 N -1.38 0.10 -4.00 2.89 5.02 -1.21 -4.76 118.16 114.82 3h2u n LYS 911 Ca 0.08 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3h2u n LYS 911 Cb 0.21 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 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 -3.05 3.38 -0.11 2.13 0.52 -0.63 0.26 118.94 121.43 3h2u s TRP 912 Ca 0.11 -0.02 -0.14 0.00 0.02 0.00 0.00 56.10 56.06 3h2u s TRP 912 Cb 0.16 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.89 3h2u s TRP 912 CO 0.65 0.47 0.33 0.45 0.02 0.00 0.00 176.95 178.87 3h2u s SER 913 N -3.85 6.56 0.28 2.95 0.15 -1.13 -4.66 113.70 114.00 3h2u s SER 913 Ca 0.34 0.66 0.25 0.00 0.70 0.00 0.00 55.95 57.90 3h2u s SER 913 Cb -0.09 -2.20 0.96 0.00 -1.71 0.00 0.00 66.02 62.97 3h2u s SER 913 CO 0.28 0.17 1.75 0.28 1.20 0.00 0.00 173.24 176.92 3h2u h SER 914 N 6.02 0.00 -1.85 5.45 0.02 -1.91 -3.42 113.55 117.86 3h2u h SER 914 Ca -0.45 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.84 3h2u h SER 914 Cb 1.19 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.76 3h2u h SER 914 CO 0.70 0.00 0.81 1.17 -1.14 0.00 0.00 176.83 178.37 3h2u n LYS 915 N -2.34 1.61 -0.81 3.45 0.00 -1.26 0.53 118.16 119.34 3h2u n LYS 915 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 58.31 58.92 3h2u n LYS 915 Cb 0.29 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.01 3h2u n LYS 915 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h2u n GLY 916 N 3.64 0.10 2.74 3.14 0.00 -1.26 -4.33 105.19 109.22 3h2u n GLY 916 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.06 3.82 0.24 1.61 3.84 0.19 -1.60 114.94 120.98 3h2u s ASN 917 Ca 0.00 -2.34 0.01 0.00 0.21 0.00 0.00 52.86 50.74 3h2u s ASN 917 Cb 0.00 -1.03 0.27 0.00 -0.55 0.00 0.00 41.25 39.94 3h2u s ASN 917 CO 0.00 -0.31 1.62 0.44 -2.79 0.00 0.00 177.10 176.05 3h2u h ASP 918 N 7.14 0.51 0.27 -4.21 3.32 -1.90 -2.80 116.42 118.75 3h2u h ASP 918 Ca -0.05 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 3h2u h ASP 918 Cb 0.96 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3h2u h ASP 918 CO 0.48 0.86 -0.27 0.40 -1.72 0.00 0.00 179.24 178.99 3h2u h ILE 919 N 0.40 1.20 0.16 0.35 2.04 -1.93 0.12 117.51 119.85 3h2u h ILE 919 Ca 0.04 -0.93 -0.30 0.00 1.00 0.00 0.00 64.86 64.67 3h2u h ILE 919 Cb 0.88 1.50 0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3h2u h ILE 919 CO 0.07 0.27 -1.30 0.40 0.00 0.00 0.00 178.15 177.59 3h2u h ILE 920 N 0.00 1.37 0.26 -0.67 1.08 -1.89 -2.28 117.51 115.38 3h2u h ILE 920 Ca -0.00 -2.75 -0.01 0.00 -0.39 0.00 0.00 64.86 61.70 3h2u h ILE 920 Cb 0.48 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 3h2u h ILE 920 CO 0.04 0.82 -0.12 0.00 -0.69 0.00 0.00 178.15 178.19 3h2u h ALA 921 N 0.39 -0.35 -0.38 1.87 0.00 -1.23 -2.26 119.26 117.30 3h2u h ALA 921 Ca -0.18 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3h2u h ALA 921 Cb 1.99 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.83 3h2u h ALA 921 CO 0.23 -0.57 -0.20 0.00 0.00 0.00 0.00 179.25 178.71 3h2u h ALA 922 N 0.06 0.06 -0.76 0.00 0.00 -0.85 -1.73 119.26 116.05 3h2u h ALA 922 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3h2u h ALA 922 Cb 0.43 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3h2u h ALA 922 CO 0.06 -0.58 0.50 0.00 0.00 0.00 0.00 179.25 179.23 3h2u h ALA 923 N 1.10 1.55 -0.58 0.00 0.00 -1.40 -1.30 119.26 118.63 3h2u h ALA 923 Ca 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3h2u h ALA 923 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h2u h ALA 923 CO -0.47 0.38 -0.05 0.87 0.00 0.00 0.00 179.25 179.98 3h2u h LYS 924 N 0.93 1.06 -0.69 0.00 1.57 -0.75 -1.39 116.57 117.30 3h2u h LYS 924 Ca 0.30 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h2u h LYS 924 Cb 0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3h2u h LYS 924 CO -0.09 1.06 0.42 0.00 -0.57 0.00 0.00 179.45 180.28 3h2u h ARG 925 N 0.95 0.94 -0.70 3.15 3.08 -0.64 -1.40 114.38 119.76 3h2u h ARG 925 Ca 0.16 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3h2u h ARG 925 Cb 0.62 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3h2u h ARG 925 CO 0.04 0.66 0.25 0.52 -1.07 0.00 0.00 179.97 180.37 3h2u h MET 926 N 0.94 1.05 -0.17 0.04 2.86 -0.67 0.32 114.93 119.30 3h2u h MET 926 Ca 0.25 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3h2u h MET 926 Cb -0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3h2u h MET 926 CO -0.05 0.87 0.05 0.00 1.06 0.00 0.00 176.91 178.84 3h2u h ALA 927 N 1.25 0.22 -0.18 6.32 0.00 -1.08 0.10 119.26 125.89 3h2u h ALA 927 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3h2u h ALA 927 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h2u h ALA 927 CO -0.02 -0.16 -0.09 -0.07 0.00 0.00 0.00 179.25 178.91 3h2u h LEU 928 N 0.09 0.26 -0.05 0.00 4.07 -0.48 -0.63 115.31 118.57 3h2u h LEU 928 Ca 0.05 -0.05 -0.25 0.00 0.08 0.00 0.00 57.88 57.72 3h2u h LEU 928 Cb 0.23 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3h2u h LEU 928 CO -0.00 0.39 -1.07 -0.07 -1.08 0.00 0.00 178.44 176.61 3h2u h LEU 929 N 0.27 0.47 -0.80 1.67 3.38 -0.21 -2.95 115.31 117.13 3h2u h LEU 929 Ca 0.06 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3h2u h LEU 929 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3h2u h LEU 929 CO 0.02 1.27 -0.30 -0.03 0.09 0.00 0.00 178.44 179.48 3h2u h MET 930 N 0.15 0.00 -0.12 1.13 4.05 -0.30 0.91 114.93 120.75 3h2u h MET 930 Ca -0.10 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.13 3h2u h MET 930 Cb 1.75 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.55 3h2u h MET 930 CO 0.18 0.30 -0.71 0.00 0.23 0.00 0.00 176.91 176.92 3h2u h ALA 931 N 1.70 0.53 0.14 0.39 0.00 -1.16 -0.93 119.26 119.92 3h2u h ALA 931 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3h2u h ALA 931 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3h2u h ALA 931 CO 0.04 0.73 -0.07 1.49 0.00 0.00 0.00 179.25 181.44 3h2u h GLU 932 N 0.39 -0.18 -0.94 0.00 4.81 -1.25 -2.77 114.58 114.64 3h2u h GLU 932 Ca -0.03 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 3h2u h GLU 932 Cb 1.29 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 3h2u h GLU 932 CO 0.13 0.05 0.60 1.98 -0.73 0.00 0.00 179.01 181.04 3h2u h MET 933 N -0.39 0.70 0.00 1.92 4.05 -0.64 0.44 114.93 121.01 3h2u h MET 933 Ca -0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3h2u h MET 933 Cb 0.31 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3h2u h MET 933 CO 0.03 0.47 0.00 1.03 0.23 0.00 0.00 176.91 178.67 3h2u h SER 934 N 0.73 0.00 0.00 1.39 0.87 -0.88 -0.59 113.55 115.07 3h2u h SER 934 Ca 0.49 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.65 3h2u h SER 934 Cb 0.79 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.68 3h2u h SER 934 CO -0.26 0.00 -2.48 0.54 -0.53 0.00 0.00 176.83 174.10 3h2u n ARG 935 N -2.55 0.64 -0.21 2.24 1.74 0.14 -0.93 116.66 117.73 3h2u n ARG 935 Ca -0.01 0.18 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3h2u n ARG 935 Cb 0.08 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.21 0.79 -2.60 0.55 3.38 -0.84 -1.97 115.31 114.40 3h2u h LEU 936 Ca -0.60 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3h2u h LEU 936 Cb 1.84 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3h2u h LEU 936 CO -0.16 0.72 0.13 1.62 0.09 0.00 0.00 178.44 180.85 3h2u h VAL 937 N 0.80 0.01 -0.08 1.22 3.04 -1.35 -1.55 116.25 118.34 3h2u h VAL 937 Ca 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 3h2u h VAL 937 Cb 0.17 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 3h2u h VAL 937 CO -0.02 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.08 3h2u n ARG 938 N -3.02 1.26 -0.07 4.17 5.12 -0.74 -4.99 116.66 118.39 3h2u n ARG 938 Ca -0.03 -0.33 0.01 0.00 -1.93 0.00 0.00 57.85 55.57 3h2u n ARG 938 Cb 0.19 -1.18 -0.00 0.00 -1.16 0.00 0.00 32.46 30.31 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 0.52 -1.34 0.00 -0.13 0.00 -0.58 -5.06 105.19 98.60 3h2u n GLY 939 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.24 0.34 3.65 -0.02 0.00 -1.26 -4.81 105.19 101.85 3h2u n GLY 940 Ca 0.00 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.45 6.52 0.00 1.61 0.15 -1.26 -3.94 113.70 113.33 3h2u s SER 941 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3h2u s SER 941 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3h2u s SER 941 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3h2u n GLY 942 N 4.04 0.61 0.26 9.45 0.00 -1.26 -4.93 105.19 113.35 3h2u n GLY 942 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.21 0.67 2.61 1.35 -1.91 -3.11 112.91 113.73 3h2u h THR 943 Ca 0.00 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 64.93 3h2u h THR 943 Cb 0.07 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3h2u h THR 943 CO 0.00 0.30 -0.43 0.50 -0.25 0.00 0.00 175.52 175.64 3h2u h LYS 944 N 0.44 -1.00 -0.84 4.72 3.64 -1.86 0.52 116.57 122.19 3h2u h LYS 944 Ca 0.09 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3h2u h LYS 944 Cb 0.41 0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3h2u h LYS 944 CO 0.02 -0.66 0.55 0.00 -2.27 0.00 0.00 179.45 177.08 3h2u h ARG 945 N -1.04 1.11 -0.20 1.90 3.08 -1.93 -2.40 114.38 114.91 3h2u h ARG 945 Ca -0.09 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3h2u h ARG 945 Cb 0.83 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3h2u h ARG 945 CO 0.08 0.75 -0.52 0.00 -1.07 0.00 0.00 179.97 179.21 3h2u h ALA 946 N 1.46 0.33 -0.93 0.04 0.00 -1.45 -2.81 119.26 115.90 3h2u h ALA 946 Ca 0.31 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h2u h ALA 946 Cb -0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3h2u h ALA 946 CO -0.06 0.52 0.62 1.25 0.00 0.00 0.00 179.25 181.58 3h2u h LEU 947 N 0.41 1.06 -0.32 0.00 5.85 0.27 0.51 115.31 123.09 3h2u h LEU 947 Ca -0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3h2u h LEU 947 Cb 1.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3h2u h LEU 947 CO 0.11 0.75 0.06 0.40 -0.34 0.00 0.00 178.44 179.43 3h2u h ILE 948 N 1.24 1.23 -0.10 4.05 2.04 -1.46 -2.29 117.51 122.22 3h2u h ILE 948 Ca 0.35 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3h2u h ILE 948 Cb -0.11 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3h2u h ILE 948 CO -0.08 0.26 -0.03 -0.61 0.00 0.00 0.00 178.15 177.69 3h2u h GLN 949 N 0.35 0.20 -0.73 2.37 5.75 -1.19 -2.40 115.11 119.45 3h2u h GLN 949 Ca 0.10 -0.08 0.14 0.00 -0.15 0.00 0.00 58.65 58.66 3h2u h GLN 949 Cb 0.33 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.73 3h2u h GLN 949 CO 0.00 0.52 -0.24 0.00 -2.65 0.00 0.00 178.83 176.47 3h2u h ALA 951 N 1.54 1.12 -0.13 0.00 0.00 -1.31 -0.19 119.26 120.29 3h2u h ALA 951 Ca 0.33 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 3h2u h ALA 951 Cb 0.56 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h2u h ALA 951 CO -0.77 0.21 -0.81 0.87 0.00 0.00 0.00 179.25 178.75 3h2u h LYS 952 N 0.00 0.78 0.64 0.00 1.57 -0.11 -1.32 116.57 118.14 3h2u h LYS 952 Ca -0.00 -0.67 -0.03 0.00 -1.87 0.00 0.00 60.65 58.08 3h2u h LYS 952 Cb 0.56 0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.02 3h2u h LYS 952 CO 0.02 1.27 -0.31 -0.44 -0.57 0.00 0.00 179.45 179.42 3h2u h ASP 953 N 0.51 -0.73 -1.05 0.86 3.32 -0.03 -0.16 116.42 119.13 3h2u h ASP 953 Ca -0.06 0.03 0.31 0.00 0.02 0.00 0.00 57.03 57.32 3h2u h ASP 953 Cb 1.45 0.19 -0.13 0.00 0.22 0.00 0.00 39.33 41.05 3h2u h ASP 953 CO 0.17 -0.49 0.62 0.40 -1.72 0.00 0.00 179.24 178.23 3h2u h ILE 954 N -0.94 0.35 -0.50 0.35 2.04 -1.10 1.21 117.51 118.93 3h2u h ILE 954 Ca -0.09 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 3h2u h ILE 954 Cb 0.66 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3h2u h ILE 954 CO 0.15 0.06 -0.15 0.00 0.00 0.00 0.00 178.15 178.21 3h2u h ALA 955 N 1.76 0.79 -0.80 1.87 0.00 -1.03 -2.11 119.26 119.74 3h2u h ALA 955 Ca 0.71 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3h2u h ALA 955 Cb 1.68 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3h2u h ALA 955 CO -0.51 0.66 0.33 -0.22 0.00 0.00 0.00 179.25 179.51 3h2u h LYS 956 N 0.85 1.19 -0.21 0.00 3.64 0.34 -2.62 116.57 119.74 3h2u h LYS 956 Ca 0.12 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 3h2u h LYS 956 Cb 0.71 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h2u h LYS 956 CO 0.05 0.95 -0.28 0.00 -2.27 0.00 0.00 179.45 177.91 3h2u h ALA 957 N 1.20 0.32 -0.16 5.00 0.00 -1.13 -2.72 119.26 121.76 3h2u h ALA 957 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3h2u h ALA 957 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h2u h ALA 957 CO -0.02 0.32 0.06 0.66 0.00 0.00 0.00 179.25 180.26 3h2u h SER 958 N 0.24 0.19 -0.06 0.00 4.64 -1.32 -1.86 113.55 115.37 3h2u h SER 958 Ca 0.02 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3h2u h SER 958 Cb 0.85 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3h2u h SER 958 CO 0.07 0.18 0.04 0.44 -0.87 0.00 0.00 176.83 176.69 3h2u h ASP 959 N 0.22 0.08 -0.74 4.97 3.32 -1.17 0.99 116.42 124.09 3h2u h ASP 959 Ca 0.06 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.11 3h2u h ASP 959 Cb 0.06 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 3h2u h ASP 959 CO -0.01 0.12 0.41 -0.08 -1.72 0.00 0.00 179.24 177.97 3h2u h GLU 960 N 0.03 0.71 -0.70 3.56 4.81 -1.17 0.10 114.58 121.92 3h2u h GLU 960 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3h2u h GLU 960 Cb 0.06 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3h2u h GLU 960 CO -0.00 0.47 0.24 0.28 -0.73 0.00 0.00 179.01 179.27 3h2u h VAL 961 N 0.74 1.25 0.37 0.32 2.07 -0.88 0.11 116.25 120.22 3h2u h VAL 961 Ca 0.34 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3h2u h VAL 961 Cb 0.25 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h2u h VAL 961 CO -0.21 0.33 -0.18 0.74 0.02 0.00 0.00 177.57 178.27 3h2u h THR 962 N 1.03 0.52 -0.54 2.57 2.02 0.13 -0.06 112.91 118.57 3h2u h THR 962 Ca 0.23 -0.61 0.11 0.00 0.77 0.00 0.00 66.41 66.91 3h2u h THR 962 Cb 0.25 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 3h2u h THR 962 CO -0.01 0.10 -0.10 -0.09 0.37 0.00 0.00 175.52 175.78 3h2u h ARG 963 N -0.90 0.02 -0.08 6.66 2.43 -0.71 0.11 114.38 121.91 3h2u h ARG 963 Ca -0.05 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3h2u h ARG 963 Cb 0.54 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3h2u h ARG 963 CO 0.08 0.01 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.05 3h2u h LEU 964 N 0.02 0.19 -0.57 3.80 3.38 -0.82 -2.97 115.31 118.34 3h2u h LEU 964 Ca 0.26 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3h2u h LEU 964 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3h2u h LEU 964 CO -0.53 0.61 -0.44 0.00 0.09 0.00 0.00 178.44 178.17 3h2u h ALA 965 N 1.40 0.75 0.00 1.53 0.00 0.16 -2.91 119.26 120.19 3h2u h ALA 965 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3h2u h ALA 965 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h2u h ALA 965 CO 0.07 0.66 -0.37 0.87 0.00 0.00 0.00 179.25 180.48 3h2u h LYS 966 N 0.52 0.00 0.04 0.00 1.57 -0.91 -2.35 116.57 115.45 3h2u h LYS 966 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3h2u h LYS 966 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3h2u h LYS 966 CO 0.09 0.37 -0.02 0.93 -0.57 0.00 0.00 179.45 180.25 3h2u h GLU 967 N 0.00 -0.06 -0.80 3.15 4.39 -1.46 -1.61 114.58 118.20 3h2u h GLU 967 Ca -0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3h2u h GLU 967 Cb 0.80 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.38 3h2u h GLU 967 CO 0.05 0.43 0.42 0.28 -1.16 0.00 0.00 179.01 179.02 3h2u h VAL 968 N -0.57 0.82 -0.21 3.13 2.07 -1.46 -0.79 116.25 119.24 3h2u h VAL 968 Ca -0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3h2u h VAL 968 Cb 0.51 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3h2u h VAL 968 CO 0.01 0.12 0.06 0.00 0.02 0.00 0.00 177.57 177.78 3h2u h ALA 969 N 1.49 0.28 0.00 1.67 0.00 -1.46 -2.79 119.26 118.45 3h2u h ALA 969 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h2u h ALA 969 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h2u h ALA 969 CO -0.30 -0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.04 3h2u n LYS 970 N -4.76 0.04 -0.04 0.00 4.81 -0.37 -1.19 118.16 116.65 3h2u n LYS 970 Ca -0.04 0.47 0.02 0.00 -0.87 0.00 0.00 58.31 57.89 3h2u n LYS 970 Cb 0.17 -1.61 0.04 0.00 0.02 0.00 0.00 35.03 33.65 3h2u n LYS 970 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3h2u n GLN 971 N -1.70 1.80 -3.62 1.64 1.13 -0.81 -5.02 117.38 110.81 3h2u n GLN 971 Ca 0.01 -1.38 -0.36 0.00 -1.94 0.00 0.00 57.00 53.33 3h2u n GLN 971 Cb 0.06 -1.09 -0.07 0.00 0.11 0.00 0.00 30.24 29.24 3h2u n GLN 971 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h2u h THR 973 N 4.59 1.32 -2.84 0.00 1.35 -1.62 -3.45 112.91 112.25 3h2u h THR 973 Ca -0.42 -1.29 -0.53 0.00 -0.55 0.00 0.00 66.41 63.62 3h2u h THR 973 Cb 1.17 1.71 0.02 0.00 -1.73 0.00 0.00 68.15 69.32 3h2u h THR 973 CO 0.74 0.39 0.87 -0.62 -0.25 0.00 0.00 175.52 176.65 3h2u s ASP 974 N -6.22 6.72 0.36 5.36 -1.08 -1.26 -4.90 116.67 115.66 3h2u s ASP 974 Ca -0.14 2.37 0.20 0.00 -0.52 0.00 0.00 52.55 54.47 3h2u s ASP 974 Cb 0.07 -2.57 0.21 0.00 -1.46 0.00 0.00 42.92 39.17 3h2u s ASP 974 CO 0.77 -0.77 1.49 0.11 0.52 0.00 0.00 175.17 177.29 3h2u h LYS 975 N 7.57 0.00 0.00 4.34 1.79 -1.98 -1.65 116.57 126.64 3h2u h LYS 975 Ca -0.41 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.94 3h2u h LYS 975 Cb 1.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3h2u h LYS 975 CO 0.90 0.17 -0.57 -0.09 -1.08 0.00 0.00 179.45 178.78 3h2u h ARG 976 N 0.00 0.00 0.02 3.15 2.43 -2.00 -3.02 114.38 114.97 3h2u h ARG 976 Ca -0.01 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 3h2u h ARG 976 Cb 1.14 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3h2u h ARG 976 CO 0.02 0.57 -2.05 -0.89 -1.51 0.00 0.00 179.97 176.11 3h2u n ILE 977 N -3.31 1.57 -0.22 1.20 5.41 -1.22 -3.64 119.36 119.16 3h2u n ILE 977 Ca 0.01 -0.37 0.01 0.00 1.00 0.00 0.00 62.75 63.40 3h2u n ILE 977 Cb 0.73 -1.81 0.25 0.00 -0.71 0.00 0.00 39.64 38.11 3h2u n ILE 977 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3h2u h ARG 978 N -0.60 0.97 -0.13 0.38 2.43 -1.44 0.41 114.38 116.41 3h2u h ARG 978 Ca -0.52 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.57 3h2u h ARG 978 Cb 1.66 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3h2u h ARG 978 CO -0.20 0.64 0.01 1.15 -1.51 0.00 0.00 179.97 180.06 3h2u h THR 979 N 1.00 1.24 0.10 0.20 2.02 -1.72 0.31 112.91 116.07 3h2u h THR 979 Ca 0.28 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3h2u h THR 979 Cb -0.08 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3h2u h THR 979 CO -0.07 0.23 -0.33 0.78 0.37 0.00 0.00 175.52 176.50 3h2u h ASN 980 N -0.04 -0.96 -0.74 4.18 -0.26 -1.18 -0.21 115.58 116.37 3h2u h ASN 980 Ca 0.04 0.11 0.10 0.00 -0.56 0.00 0.00 56.30 55.99 3h2u h ASN 980 Cb 0.34 0.37 -0.07 0.00 -1.06 0.00 0.00 38.32 37.90 3h2u h ASN 980 CO 0.01 -0.41 0.37 0.25 -1.06 0.00 0.00 177.43 176.58 3h2u h LEU 981 N -0.55 0.48 -0.22 1.61 5.85 0.08 -1.86 115.31 120.70 3h2u h LEU 981 Ca 0.03 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3h2u h LEU 981 Cb 0.59 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3h2u h LEU 981 CO -0.21 0.27 0.00 -0.07 -0.34 0.00 0.00 178.44 178.09 3h2u h LEU 982 N 0.62 0.37 0.10 2.25 3.38 0.14 -3.27 115.31 118.89 3h2u h LEU 982 Ca 0.37 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h2u h LEU 982 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h2u h LEU 982 CO -0.28 0.58 -0.12 1.56 0.09 0.00 0.00 178.44 180.27 3h2u h GLN 983 N 0.15 -0.22 0.00 1.13 4.20 -0.72 -2.24 115.11 117.40 3h2u h GLN 983 Ca 0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3h2u h GLN 983 Cb 0.39 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3h2u h GLN 983 CO 0.01 -0.15 0.00 1.33 -0.67 0.00 0.00 178.83 179.36 3h2u n VAL 984 N -3.07 0.00 -1.08 -0.54 0.24 -0.73 -1.59 118.33 111.55 3h2u n VAL 984 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3h2u n VAL 984 Cb 0.11 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 0.98 -0.00 0.00 1.02 -0.62 -3.48 120.64 118.53 3h2u n GLU 986 Ca 0.00 -0.66 0.08 0.00 -0.02 0.00 0.00 57.16 56.56 3h2u n GLU 986 Cb 0.32 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 3h2u n GLU 986 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3h2u n ARG 987 N -0.43 0.65 -0.21 3.49 1.85 -1.26 -4.60 116.66 116.16 3h2u n ARG 987 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 3h2u n ARG 987 Cb 0.38 -1.57 0.03 0.00 -1.05 0.00 0.00 32.46 30.25 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 0.22 -0.82 8.89 2.04 -1.84 -1.12 117.51 124.87 3h2u h ILE 988 Ca -0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.92 3h2u h ILE 988 Cb 1.17 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 3h2u h ILE 988 CO 0.01 0.00 0.42 1.55 0.00 0.00 0.00 178.15 180.12 3h2u h PRO 989 N -0.12 0.60 0.04 2.37 0.13 -1.81 -2.09 132.00 131.12 3h2u h PRO 989 Ca 0.26 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3h2u h PRO 989 Cb 0.54 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.53 3h2u h PRO 989 CO -0.68 0.39 -0.02 1.15 -0.23 0.00 0.00 178.00 178.61 3h2u h THR 990 N 0.61 1.18 -0.97 1.56 2.02 -1.51 -0.66 112.91 115.13 3h2u h THR 990 Ca 0.44 -0.72 0.19 0.00 0.77 0.00 0.00 66.41 67.09 3h2u h THR 990 Cb 0.60 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 68.57 3h2u h THR 990 CO -0.35 0.18 0.61 0.40 0.37 0.00 0.00 175.52 176.73 3h2u h ILE 991 N -0.38 0.72 -0.07 3.11 2.04 -1.07 -2.03 117.51 119.82 3h2u h ILE 991 Ca -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3h2u h ILE 991 Cb 0.34 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3h2u h ILE 991 CO 0.01 0.12 -0.02 0.28 0.00 0.00 0.00 178.15 178.54 3h2u h SER 992 N 0.65 0.14 -0.80 1.72 0.02 -1.08 -0.71 113.55 113.50 3h2u h SER 992 Ca 0.53 -0.37 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 3h2u h SER 992 Cb 0.97 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3h2u h SER 992 CO -0.29 0.48 0.45 0.74 -1.14 0.00 0.00 176.83 177.07 3h2u h THR 993 N -0.20 0.92 -0.09 -2.27 2.02 -0.50 -0.32 112.91 112.48 3h2u h THR 993 Ca 0.02 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 3h2u h THR 993 Cb 0.42 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3h2u h THR 993 CO 0.01 0.14 -0.27 1.56 0.37 0.00 0.00 175.52 177.33 3h2u h GLN 994 N 0.77 0.15 -0.22 6.66 4.20 -1.27 -0.89 115.11 124.51 3h2u h GLN 994 Ca 0.38 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 3h2u h GLN 994 Cb 0.33 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3h2u h GLN 994 CO -0.24 0.42 0.01 1.25 -0.67 0.00 0.00 178.83 179.60 3h2u h LEU 995 N 0.14 0.38 0.26 1.46 5.85 0.39 0.13 115.31 123.92 3h2u h LEU 995 Ca 0.02 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3h2u h LEU 995 Cb 0.55 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3h2u h LEU 995 CO 0.04 0.58 -0.40 0.11 -0.34 0.00 0.00 178.44 178.43 3h2u h LYS 996 N 0.16 -0.70 -0.33 1.25 1.57 -0.52 0.24 116.57 118.24 3h2u h LYS 996 Ca 0.06 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3h2u h LYS 996 Cb 0.38 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 3h2u h LYS 996 CO 0.01 -0.47 -0.23 0.82 -0.57 0.00 0.00 179.45 179.01 3h2u h ILE 997 N -0.73 0.39 -0.34 1.86 2.04 -0.99 -1.76 117.51 117.97 3h2u h ILE 997 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3h2u h ILE 997 Cb 0.70 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h2u h ILE 997 CO -0.15 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.75 3h2u h LEU 998 N -0.19 0.64 -0.38 1.44 3.38 -0.51 -2.18 115.31 117.51 3h2u h LEU 998 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3h2u h LEU 998 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h2u h LEU 998 CO -0.44 0.83 0.20 0.28 0.09 0.00 0.00 178.44 179.40 3h2u h SER 999 N 0.57 0.49 -0.31 -0.43 0.02 -0.05 0.11 113.55 113.95 3h2u h SER 999 Ca 0.09 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3h2u h SER 999 Cb 0.64 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3h2u h SER 999 CO 0.05 0.45 0.07 0.74 -1.14 0.00 0.00 176.83 177.00 3h2u h THR 1000N 0.49 1.19 0.45 -2.27 2.02 -1.22 0.48 112.91 114.05 3h2u h THR 1000Ca 0.13 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3h2u h THR 1000Cb 0.08 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3h2u h THR 1000CO -0.02 0.25 -0.22 0.58 0.37 0.00 0.00 175.52 176.49 3h2u h VAL 1001N 0.58 0.48 -0.57 3.16 2.07 -0.81 -1.98 116.25 119.18 3h2u h VAL 1001Ca 0.13 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3h2u h VAL 1001Cb 0.26 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3h2u h VAL 1001CO 0.00 0.06 0.34 0.50 0.02 0.00 0.00 177.57 178.50 3h2u h LYS 1002N -0.87 0.77 -0.65 1.57 1.63 -0.45 -2.31 116.57 116.26 3h2u h LYS 1002Ca -0.06 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 3h2u h LYS 1002Cb 0.57 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 3h2u h LYS 1002CO 0.10 0.54 0.25 0.00 -3.45 0.00 0.00 179.45 176.90 3h2u h ALA 1003N 1.59 0.84 0.00 5.00 0.00 0.01 -1.65 119.26 125.06 3h2u h ALA 1003Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h2u h ALA 1003Cb -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3h2u h ALA 1003CO -0.04 0.46 -0.06 1.79 0.00 0.00 0.00 179.25 181.40 3h2u h THR 1004N 0.91 0.18 0.00 0.00 1.35 -0.82 -2.56 112.91 111.98 3h2u h THR 1004Ca 0.22 -0.59 -0.15 0.00 -0.55 0.00 0.00 66.41 65.34 3h2u h THR 1004Cb 0.21 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3h2u h THR 1004CO -0.02 0.06 -0.96 0.24 -0.25 0.00 0.00 175.52 174.59 3h2u h MET 1005N 0.00 0.00 -6.37 4.72 2.07 -1.00 -3.44 114.93 110.92 3h2u h MET 1005Ca -0.00 0.00 -0.61 0.00 -2.07 0.00 0.00 59.70 57.02 3h2u h MET 1005Cb 0.49 0.00 0.04 0.00 -1.87 0.00 0.00 31.60 30.25 3h2u h MET 1005CO 0.01 0.48 0.95 1.28 1.07 0.00 0.00 176.91 180.70 3h2u n LEU 1006N -3.10 3.23 0.00 1.22 4.77 -0.68 -3.15 117.00 119.28 3h2u n LEU 1006Ca -0.03 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 3h2u n LEU 1006Cb 0.81 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3h2u n LEU 1006CO 0.42 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3h2u n GLY 1007N 3.94 1.99 3.64 -0.72 0.00 -1.26 -5.00 105.19 107.79 3h2u n GLY 1007Ca 0.20 -0.57 -0.63 0.00 0.00 0.00 0.00 46.02 45.02 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 0.39 -0.29 1.61 1.74 -1.19 -4.82 116.66 114.11 3h2u n ARG 1008Ca 0.00 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 3h2u n ARG 1008Cb 0.00 -1.73 0.28 0.00 -1.02 0.00 0.00 32.46 29.99 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 4.77 0.75 -0.72 0.55 -1.04 -1.26 -3.96 114.28 113.38 3h2u n THR 1009Ca 0.34 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.05 61.40 3h2u n THR 1009Cb 0.01 0.52 0.17 0.00 -1.82 0.00 0.00 70.33 69.21 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 1.33 3.77 -3.89 8.00 6.94 -1.26 -4.80 115.26 125.35 3h2u n ASN 1010Ca 0.21 -3.18 -0.27 0.00 -0.02 0.00 0.00 54.58 51.31 3h2u n ASN 1010Cb 0.54 -0.75 -0.17 0.00 -2.36 0.00 0.00 39.78 37.04 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 -2.57 1.04 0.61 1.53 -1.16 -1.25 -5.12 121.20 114.27 3h2u s ILE 1011Ca 0.45 -0.45 -0.18 0.00 -0.51 0.00 0.00 60.65 59.96 3h2u s ILE 1011Cb 0.37 -1.15 -0.13 0.00 0.61 0.00 0.00 42.46 42.17 3h2u s ILE 1011CO 0.09 0.24 -0.02 -1.54 -2.81 0.00 0.00 174.94 170.90 3h2u n SER 1012N 4.92 -3.22 -0.19 4.50 3.41 -1.26 -4.78 113.62 117.00 3h2u n SER 1012Ca -0.12 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 58.99 3h2u n SER 1012Cb 0.49 -0.94 0.01 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.14 1.03 -0.75 4.04 3.45 -2.00 -2.91 116.42 119.14 3h2u h ASP 1013Ca -0.43 -0.35 -0.05 0.00 0.43 0.00 0.00 57.03 56.63 3h2u h ASP 1013Cb 1.41 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.87 3h2u h ASP 1013CO 0.40 1.13 0.26 -0.33 -1.57 0.00 0.00 179.24 179.14 3h2u h GLU 1014N 0.90 1.15 0.35 3.56 5.08 -1.98 -0.10 114.58 123.53 3h2u h GLU 1014Ca 0.14 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3h2u h GLU 1014Cb 0.66 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h2u h GLU 1014CO 0.05 0.96 -0.19 0.93 -1.00 0.00 0.00 179.01 179.75 3h2u h GLU 1015N 1.11 -0.49 -0.31 2.33 5.08 -1.87 0.10 114.58 120.53 3h2u h GLU 1015Ca 0.25 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3h2u h GLU 1015Cb 0.27 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3h2u h GLU 1015CO -0.01 -0.33 0.09 0.66 -1.00 0.00 0.00 179.01 178.42 3h2u h SER 1016N -0.51 0.46 -0.71 1.42 4.64 -1.41 0.11 113.55 117.55 3h2u h SER 1016Ca -0.04 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 3h2u h SER 1016Cb 0.41 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 3h2u h SER 1016CO 0.05 0.55 0.44 -0.08 -0.87 0.00 0.00 176.83 176.93 3h2u h GLU 1017N 0.35 0.82 -0.35 4.77 4.57 -0.95 0.13 114.58 123.91 3h2u h GLU 1017Ca 0.10 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3h2u h GLU 1017Cb 0.26 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3h2u h GLU 1017CO -0.00 0.54 0.03 0.37 -1.18 0.00 0.00 179.01 178.77 3h2u h GLN 1018N 0.84 0.60 -0.96 1.92 5.75 -0.53 -0.66 115.11 122.07 3h2u h GLN 1018Ca 0.30 -0.18 0.10 0.00 -0.15 0.00 0.00 58.65 58.72 3h2u h GLN 1018Cb 0.06 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.48 3h2u h GLN 1018CO -0.13 0.70 0.61 0.00 -2.65 0.00 0.00 178.83 177.36 3h2u h ALA 1019N 0.88 1.56 -0.14 3.38 0.00 -0.08 -0.54 119.26 124.32 3h2u h ALA 1019Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h2u h ALA 1019Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h2u h ALA 1019CO 0.01 0.24 0.03 1.15 0.00 0.00 0.00 179.25 180.68 3h2u h THR 1020N 0.98 1.21 -0.96 0.00 2.02 -0.38 -2.51 112.91 113.27 3h2u h THR 1020Ca 0.45 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3h2u h THR 1020Cb 0.41 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3h2u h THR 1020CO -0.21 0.20 0.61 -0.33 0.37 0.00 0.00 175.52 176.15 3h2u h GLU 1021N 0.01 1.28 -0.31 6.66 4.39 -0.29 0.11 114.58 126.43 3h2u h GLU 1021Ca 0.04 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3h2u h GLU 1021Cb 0.28 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3h2u h GLU 1021CO 0.00 0.86 -0.17 0.52 -1.16 0.00 0.00 179.01 179.07 3h2u h MET 1022N 1.31 0.56 0.21 2.33 2.86 -1.06 -0.88 114.93 120.25 3h2u h MET 1022Ca 0.35 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3h2u h MET 1022Cb -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3h2u h MET 1022CO -0.07 0.70 -0.10 1.25 1.06 0.00 0.00 176.91 179.75 3h2u h LEU 1023N 0.50 -0.24 -0.87 1.22 5.85 -0.96 -2.15 115.31 118.67 3h2u h LEU 1023Ca 0.09 -0.29 0.18 0.00 0.84 0.00 0.00 57.88 58.70 3h2u h LEU 1023Cb 0.58 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.56 3h2u h LEU 1023CO 0.04 0.26 0.41 0.58 -0.34 0.00 0.00 178.44 179.39 3h2u h VAL 1024N -0.84 0.60 -0.29 1.05 2.07 -0.74 0.12 116.25 118.23 3h2u h VAL 1024Ca -0.03 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3h2u h VAL 1024Cb 0.51 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3h2u h VAL 1024CO 0.05 0.09 -0.15 -0.74 0.02 0.00 0.00 177.57 176.84 3h2u h HIS 1025N 0.51 0.71 -0.42 1.57 -0.00 -1.19 -1.65 115.15 114.68 3h2u h HIS 1025Ca 0.51 -0.18 0.05 0.00 -0.00 0.00 0.00 60.37 60.75 3h2u h HIS 1025Cb 0.86 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 28.06 3h2u h HIS 1025CO -0.11 0.85 0.16 -0.97 -0.00 0.00 0.00 177.93 177.86 3h2u h ASN 1026N 0.36 0.18 0.21 3.26 -0.73 -0.51 -1.12 115.58 117.21 3h2u h ASN 1026Ca 0.06 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 3h2u h ASN 1026Cb 0.67 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 3h2u h ASN 1026CO 0.04 0.14 -0.13 0.00 -0.37 0.00 0.00 177.43 177.11 3h2u h ALA 1027N 1.27 1.57 -0.08 1.57 0.00 -0.74 -0.08 119.26 122.77 3h2u h ALA 1027Ca 0.19 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3h2u h ALA 1027Cb 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h2u h ALA 1027CO -0.19 0.17 -0.68 1.96 0.00 0.00 0.00 179.25 180.51 3h2u h GLN 1028N 0.00 0.60 -0.29 0.00 4.20 -0.24 -1.33 115.11 118.04 3h2u h GLN 1028Ca -0.00 -0.54 -0.08 0.00 0.06 0.00 0.00 58.65 58.09 3h2u h GLN 1028Cb 0.27 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3h2u h GLN 1028CO 0.02 1.16 -0.12 -0.91 -0.67 0.00 0.00 178.83 178.30 3h2u h ASN 1029N 0.23 0.62 0.50 1.46 -0.26 -0.93 -2.20 115.58 114.99 3h2u h ASN 1029Ca -0.06 -0.40 -0.01 0.00 -0.56 0.00 0.00 56.30 55.27 3h2u h ASN 1029Cb 1.33 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 3h2u h ASN 1029CO 0.14 0.88 -0.49 0.25 -1.06 0.00 0.00 177.43 177.15 3h2u h LEU 1030N 0.35 -1.34 -1.02 1.61 5.85 -1.02 0.89 115.31 120.64 3h2u h LEU 1030Ca 0.07 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3h2u h LEU 1030Cb 0.64 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 3h2u h LEU 1030CO 0.04 -0.66 0.63 0.24 -0.34 0.00 0.00 178.44 178.35 3h2u h MET 1031N -0.99 0.88 0.17 1.25 2.86 -1.26 0.21 114.93 118.05 3h2u h MET 1031Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3h2u h MET 1031Cb 0.86 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3h2u h MET 1031CO -0.06 0.58 -0.08 0.37 1.06 0.00 0.00 176.91 178.79 3h2u h GLN 1032N 0.91 -0.22 -1.22 1.72 5.75 -1.00 -2.30 115.11 118.76 3h2u h GLN 1032Ca 0.52 0.02 0.38 0.00 -0.15 0.00 0.00 58.65 59.42 3h2u h GLN 1032Cb 0.64 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.12 3h2u h GLN 1032CO -0.30 0.16 0.78 0.77 -2.65 0.00 0.00 178.83 177.59 3h2u h SER 1033N -0.93 0.31 0.31 -0.69 0.02 0.11 -1.09 113.55 111.59 3h2u h SER 1033Ca -0.02 0.12 -0.30 0.00 -0.84 0.00 0.00 61.79 60.75 3h2u h SER 1033Cb 0.49 0.09 0.03 0.00 0.14 0.00 0.00 62.40 63.14 3h2u h SER 1033CO 0.04 -0.10 -1.31 0.58 -1.14 0.00 0.00 176.83 174.90 3h2u h VAL 1034N 0.18 1.34 -0.83 2.27 2.07 -0.92 -2.86 116.25 117.50 3h2u h VAL 1034Ca 0.75 -2.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 3h2u h VAL 1034Cb 2.21 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 34.80 3h2u h VAL 1034CO -0.39 0.80 0.46 0.50 0.02 0.00 0.00 177.57 178.97 3h2u h LYS 1035N 0.18 1.15 -0.33 1.57 3.64 -0.64 -2.41 116.57 119.73 3h2u h LYS 1035Ca -0.19 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 3h2u h LYS 1035Cb 2.00 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 3h2u h LYS 1035CO 0.24 0.84 -0.14 0.93 -2.27 0.00 0.00 179.45 179.05 3h2u h GLU 1036N 1.15 0.67 -0.02 1.90 5.08 -1.37 -1.83 114.58 120.16 3h2u h GLU 1036Ca 0.29 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3h2u h GLU 1036Cb 0.01 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3h2u h GLU 1036CO -0.05 0.87 0.02 1.15 -1.00 0.00 0.00 179.01 180.01 3h2u h THR 1037N 0.44 0.43 0.24 1.13 2.02 -1.25 0.10 112.91 116.02 3h2u h THR 1037Ca 0.07 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.92 3h2u h THR 1037Cb 0.66 0.98 0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3h2u h THR 1037CO 0.04 0.00 -1.54 0.58 0.37 0.00 0.00 175.52 174.98 3h2u h VAL 1038N 0.00 1.19 -0.07 3.16 2.07 -1.08 -2.40 116.25 119.12 3h2u h VAL 1038Ca 0.01 -2.64 -0.16 0.00 0.82 0.00 0.00 66.70 64.73 3h2u h VAL 1038Cb 0.06 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3h2u h VAL 1038CO -0.00 0.82 -0.64 0.03 0.02 0.00 0.00 177.57 177.80 3h2u h ARG 1039N 0.11 0.28 -0.02 1.57 3.08 -0.44 -2.93 114.38 116.04 3h2u h ARG 1039Ca -0.28 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.48 3h2u h ARG 1039Cb 2.14 0.03 0.01 0.00 0.08 0.00 0.00 29.97 32.23 3h2u h ARG 1039CO 0.25 0.83 -0.32 0.93 -1.07 0.00 0.00 179.97 180.58 3h2u h GLU 1040N 0.20 0.25 -0.93 0.04 4.39 -0.97 -2.83 114.58 114.73 3h2u h GLU 1040Ca -0.01 -0.24 0.19 0.00 0.34 0.00 0.00 59.36 59.63 3h2u h GLU 1040Cb 1.17 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.78 3h2u h GLU 1040CO 0.10 0.94 0.51 0.00 -1.16 0.00 0.00 179.01 179.40 3h2u h ALA 1041N 0.31 1.51 -0.10 3.43 0.00 -1.46 0.42 119.26 123.36 3h2u h ALA 1041Ca -0.03 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3h2u h ALA 1041Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h2u h ALA 1041CO 0.06 -0.15 -0.13 1.49 0.00 0.00 0.00 179.25 180.53 3h2u h GLU 1042N 0.62 0.27 -0.39 0.00 4.22 -1.61 -2.90 114.58 114.79 3h2u h GLU 1042Ca 0.54 -0.15 0.08 0.00 0.08 0.00 0.00 59.36 59.91 3h2u h GLU 1042Cb 0.89 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 3h2u h GLU 1042CO -0.42 0.70 -0.09 0.00 -2.18 0.00 0.00 179.01 177.02 3h2u h ALA 1043N 0.56 0.27 0.00 2.92 0.00 -0.85 0.42 119.26 122.58 3h2u h ALA 1043Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h2u h ALA 1043Cb 0.66 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h2u h ALA 1043CO 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3h2u n ALA 1044N -2.68 1.78 0.60 0.00 0.00 0.13 -2.35 120.51 117.99 3h2u n ALA 1044Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3h2u n ALA 1044Cb 0.21 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.64 3h2u n ALA 1044CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h2u n SER 1045N -0.71 0.62 0.01 0.00 3.41 0.15 -4.17 113.62 112.92 3h2u n SER 1045Ca 0.03 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 3h2u n SER 1045Cb 0.01 0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 3h2u n SER 1045CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2u n ILE 1046N -1.92 0.07 -0.91 -1.33 0.13 -0.99 -4.38 119.36 110.03 3h2u n ILE 1046Ca 0.02 -0.34 0.08 0.00 -1.10 0.00 0.00 62.75 61.41 3h2u n ILE 1046Cb 0.43 0.24 0.27 0.00 -0.84 0.00 0.00 39.64 39.74 3h2u n ILE 1046CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3h2u n LYS 1047N -2.06 3.17 -2.58 9.51 4.76 -1.26 -5.05 118.16 124.65 3h2u n LYS 1047Ca -0.01 -2.82 -0.42 0.00 -2.87 0.00 0.00 58.31 52.19 3h2u n LYS 1047Cb 0.49 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 3h2u n LYS 1047CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h2u s ILE 1048N -2.65 4.52 0.13 -0.18 -1.09 -1.26 -1.67 121.20 118.99 3h2u s ILE 1048Ca 0.42 1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 60.40 3h2u s ILE 1048Cb 0.33 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 3h2u s ILE 1048CO 0.11 0.09 1.27 -2.11 -1.23 0.00 0.00 174.94 173.07 3h2u n ARG 1049N 4.36 -0.35 -0.07 2.79 1.85 -0.99 -4.86 116.66 119.38 3h2u n ARG 1049Ca 0.08 1.25 0.00 0.00 -1.00 0.00 0.00 57.85 58.18 3h2u n ARG 1049Cb 0.48 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3h2u n ARG 1049CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3h2u n PHE 1054N -4.96 0.00 -3.71 2.89 7.35 -1.26 -5.05 117.46 112.73 3h2u n PHE 1054Ca 0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.62 3h2u n PHE 1054Cb 0.21 -0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 3h2u n PHE 1054CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3h2u s THR 1055N -0.24 0.00 -0.01 -2.13 -4.23 -1.26 -4.99 115.64 102.77 3h2u s THR 1055Ca 0.00 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 3h2u s THR 1055Cb 0.00 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.18 3h2u s THR 1055CO 0.00 0.00 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.22 3h2u s LEU 1056N -2.86 1.96 -0.43 4.79 1.43 -1.26 -4.92 118.68 117.38 3h2u s LEU 1056Ca 0.08 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 3h2u s LEU 1056Cb -0.04 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.69 3h2u s LEU 1056CO 0.00 0.11 1.06 -0.60 0.23 0.00 0.00 176.35 177.14 3h2u s ARG 1057N -0.13 3.76 -1.00 1.70 3.52 -0.62 -4.95 118.95 121.22 3h2u s ARG 1057Ca 0.02 0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 56.14 3h2u s ARG 1057Cb -0.05 -3.87 0.25 0.00 -1.56 0.00 0.00 34.95 29.72 3h2u s ARG 1057CO -0.00 -1.21 0.97 0.91 -0.81 0.00 0.00 175.30 175.16 3h2u n TRP 1058N 7.41 4.56 -3.88 5.12 7.02 -1.26 -4.46 117.44 131.95 3h2u n TRP 1058Ca 0.10 -3.95 -0.34 0.00 -1.02 0.00 0.00 57.50 52.29 3h2u n TRP 1058Cb 0.48 -1.38 -0.13 0.00 -2.42 0.00 0.00 31.31 27.86 3h2u n TRP 1058CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3h2u s VAL 1059N -1.46 2.85 0.28 -0.99 1.01 -1.26 -5.06 120.40 115.77 3h2u s VAL 1059Ca 0.30 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 3h2u s VAL 1059Cb -0.07 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.16 3h2u s VAL 1059CO -0.09 -0.66 1.13 -1.14 0.00 0.00 0.00 175.10 174.34 3h2u n ARG 1060N 4.37 1.55 -1.48 2.72 0.00 -1.26 -2.84 116.66 119.71 3h2u n ARG 1060Ca 0.01 0.55 -0.37 0.00 -0.00 0.00 0.00 57.85 58.03 3h2u n ARG 1060Cb 0.41 -2.01 0.06 0.00 0.00 0.00 0.00 32.46 30.92 3h2u n ARG 1060CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3h2u n LYS 1061N 1.01 0.61 -3.95 -0.14 3.00 0.73 -4.84 118.16 114.57 3h2u n LYS 1061Ca 0.10 0.25 -0.09 0.00 -0.00 0.00 0.00 58.31 58.56 3h2u n LYS 1061Cb 0.32 -1.97 -0.06 0.00 0.00 0.00 0.00 35.03 33.32 3h2u n LYS 1061CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3h2u s THR 1062N -1.69 0.03 -1.91 3.15 -4.23 -1.26 -5.01 115.64 104.72 3h2u s THR 1062Ca 0.72 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3h2u s THR 1062Cb -0.40 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3h2u s THR 1062CO 0.51 -0.14 0.48 -0.81 -0.54 0.00 0.00 174.62 174.12