#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ooq s ALA 890 N 0.00 2.47 -0.13 3.04 0.00 -1.26 -4.87 121.76 121.01 2ooq s ALA 890 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2ooq s ALA 890 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2ooq s ALA 890 CO 0.00 -1.25 -0.14 0.42 0.00 0.00 0.00 175.76 174.79 2ooq s ILE 891 N -2.15 2.95 0.32 0.00 -1.09 0.43 -4.94 121.20 116.72 2ooq s ILE 891 Ca 0.69 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 58.13 2ooq s ILE 891 Cb -0.23 -2.23 -0.11 0.00 -1.58 0.00 0.00 42.46 38.31 2ooq s ILE 891 CO 0.39 0.52 1.50 -0.13 -1.23 0.00 0.00 174.94 175.99 2ooq s ARG 892 N 0.42 4.16 0.25 2.79 0.52 -1.26 -1.12 118.95 124.70 2ooq s ARG 892 Ca -0.11 2.49 -0.04 0.00 -0.52 0.00 0.00 55.73 57.56 2ooq s ARG 892 Cb -0.16 -3.02 0.38 0.00 0.52 0.00 0.00 34.95 32.67 2ooq s ARG 892 CO 0.05 -0.52 1.83 0.28 0.02 0.00 0.00 175.30 176.96 2ooq h VAL 893 N 3.23 0.96 -0.39 3.52 2.07 -1.59 0.13 116.25 124.17 2ooq h VAL 893 Ca -0.48 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 66.85 2ooq h VAL 893 Cb 1.23 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2ooq h VAL 893 CO 0.72 0.16 0.49 0.00 0.02 0.00 0.00 177.57 178.96 2ooq h ALA 894 N 1.44 2.07 -0.28 1.67 0.00 -1.91 -1.76 119.26 120.49 2ooq h ALA 894 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2ooq h ALA 894 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ooq h ALA 894 CO -0.22 -0.69 0.00 -0.25 0.00 0.00 0.00 179.25 178.09 2ooq n ASP 895 N -3.55 2.85 -0.12 0.00 8.00 0.40 -4.72 116.55 119.42 2ooq n ASP 895 Ca 0.07 -1.85 -0.12 0.00 0.71 0.00 0.00 54.79 53.60 2ooq n ASP 895 Cb 0.66 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2ooq n ASP 895 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2ooq h LEU 896 N 2.92 0.80 -0.10 0.64 5.85 -0.95 -0.60 115.31 123.87 2ooq h LEU 896 Ca 0.00 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.32 2ooq h LEU 896 Cb 0.75 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2ooq h LEU 896 CO 0.00 1.05 -0.03 0.25 -0.34 0.00 0.00 178.44 179.37 2ooq h LEU 897 N 0.55 -0.12 -0.73 2.25 6.46 -1.84 -0.48 115.31 121.40 2ooq h LEU 897 Ca 0.07 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2ooq h LEU 897 Cb 0.77 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 2ooq h LEU 897 CO 0.06 -0.04 0.47 1.56 -0.62 0.00 0.00 178.44 179.87 2ooq h GLN 898 N -0.01 0.91 -0.06 1.25 4.20 -1.86 -1.15 115.11 118.39 2ooq h GLN 898 Ca 0.05 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2ooq h GLN 898 Cb 0.09 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2ooq h GLN 898 CO -0.11 0.60 -0.04 1.25 -0.67 0.00 0.00 178.83 179.86 2ooq h HIS 899 N 0.94 -0.09 -0.78 2.96 -0.00 -0.79 -1.22 115.15 116.16 2ooq h HIS 899 Ca 0.28 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.61 2ooq h HIS 899 Cb -0.04 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 2ooq h HIS 899 CO -0.03 -0.06 0.30 0.82 -0.00 0.00 0.00 177.93 178.96 2ooq h ILE 900 N -0.04 1.26 0.26 6.26 2.04 -0.74 -0.61 117.51 125.93 2ooq h ILE 900 Ca 0.04 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2ooq h ILE 900 Cb 0.10 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2ooq h ILE 900 CO -0.09 0.34 -0.12 0.74 0.00 0.00 0.00 178.15 179.02 2ooq h THR 901 N 1.15 0.77 -0.83 -0.27 2.02 -1.10 0.07 112.91 114.72 2ooq h THR 901 Ca 0.26 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.40 2ooq h THR 901 Cb 0.23 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2ooq h THR 901 CO -0.02 0.03 0.49 1.56 0.37 0.00 0.00 175.52 177.95 2ooq h GLN 902 N -0.41 0.83 0.00 6.66 7.50 -0.95 -0.45 115.11 128.29 2ooq h GLN 902 Ca -0.04 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.01 2ooq h GLN 902 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2ooq h GLN 902 CO 0.06 0.55 -0.24 0.52 -1.50 0.00 0.00 178.83 178.22 2ooq h MET 903 N 0.85 0.00 0.00 1.46 2.07 -0.67 -2.87 114.93 115.77 2ooq h MET 903 Ca 0.38 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.96 2ooq h MET 903 Cb 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2ooq h MET 903 CO -0.22 0.24 -0.82 0.87 1.07 0.00 0.00 176.91 178.05 2ooq h LYS 904 N 0.00 0.00 -6.42 1.72 1.57 0.50 -2.53 116.57 111.40 2ooq h LYS 904 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2ooq h LYS 904 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2ooq h LYS 904 CO 0.03 0.13 0.84 1.03 -0.57 0.00 0.00 179.45 180.91 2ooq s ARG 905 N -3.18 4.27 0.00 3.15 0.52 -0.33 -4.91 118.95 118.47 2ooq s ARG 905 Ca 0.01 2.06 0.10 0.00 -0.52 0.00 0.00 55.73 57.38 2ooq s ARG 905 Cb 0.08 -3.51 0.62 0.00 0.52 0.00 0.00 34.95 32.65 2ooq s ARG 905 CO 0.76 -0.58 1.04 0.41 0.02 0.00 0.00 175.30 176.96 2ooq n GLY 906 N 3.68 -0.44 0.12 -3.53 0.00 -1.26 -4.11 105.19 99.65 2ooq n GLY 906 Ca 0.13 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2ooq n GLY 906 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ooq h GLN 907 N 0.00 0.20 0.00 1.61 7.50 -1.91 -3.48 115.11 119.04 2ooq h GLN 907 Ca 0.00 -0.35 0.00 0.00 0.50 0.00 0.00 58.65 58.80 2ooq h GLN 907 Cb 0.00 0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2ooq h GLN 907 CO 0.00 1.02 0.00 0.41 -1.50 0.00 0.00 178.83 178.76 2ooq n GLY 908 N 1.83 7.23 3.61 3.46 0.00 -1.26 -5.08 105.19 114.98 2ooq n GLY 908 Ca -0.26 -2.04 -0.51 0.00 0.00 0.00 0.00 46.02 43.21 2ooq n GLY 908 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ooq n TYR 909 N -0.00 1.67 -3.45 1.61 9.36 -1.26 -4.95 117.16 120.14 2ooq n TYR 909 Ca 0.00 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.79 2ooq n TYR 909 Cb 0.00 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.33 2ooq n TYR 909 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ooq n GLY 910 N 2.77 4.03 0.20 2.98 0.00 -1.26 -4.49 105.19 109.42 2ooq n GLY 910 Ca 0.19 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 2ooq n GLY 910 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2ooq h PHE 911 N 0.65 0.37 -0.06 1.61 0.04 -1.82 -2.04 116.94 115.69 2ooq h PHE 911 Ca 0.00 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.68 2ooq h PHE 911 Cb 0.00 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2ooq h PHE 911 CO 0.00 0.68 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.14 2ooq h LYS 912 N 0.26 -0.03 -0.50 1.51 1.63 -1.97 0.27 116.57 117.74 2ooq h LYS 912 Ca 0.02 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 2ooq h LYS 912 Cb 0.84 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 2ooq h LYS 912 CO 0.07 -0.02 0.02 1.49 -3.45 0.00 0.00 179.45 177.55 2ooq h GLU 913 N -0.03 0.88 -0.08 1.90 4.81 -1.96 -0.66 114.58 119.43 2ooq h GLU 913 Ca 0.04 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2ooq h GLU 913 Cb 0.09 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2ooq h GLU 913 CO -0.08 0.90 0.03 1.49 -0.73 0.00 0.00 179.01 180.62 2ooq h GLU 914 N 0.74 0.12 -0.89 1.92 4.81 -1.26 -1.78 114.58 118.24 2ooq h GLU 914 Ca 0.14 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2ooq h GLU 914 Cb 0.49 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2ooq h GLU 914 CO 0.02 0.26 0.55 -0.92 -0.73 0.00 0.00 179.01 178.19 2ooq h TYR 915 N -0.05 1.00 0.00 0.92 3.20 -0.86 -0.97 116.97 120.21 2ooq h TYR 915 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2ooq h TYR 915 Cb 0.19 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2ooq h TYR 915 CO -0.01 0.47 0.00 0.93 -1.64 0.00 0.00 178.16 177.91 2ooq h GLU 916 N 0.95 0.00 0.00 1.82 5.08 -0.54 -2.09 114.58 119.81 2ooq h GLU 916 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2ooq h GLU 916 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ooq h GLU 916 CO -0.21 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.31 2ooq h ALA 917 N 2.18 0.71 -2.89 3.43 0.00 -0.33 -3.47 119.26 118.90 2ooq h ALA 917 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2ooq h ALA 917 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.17 2ooq h ALA 917 CO 0.00 0.00 0.55 -0.51 0.00 0.00 0.00 179.25 179.29 2ooq s LEU 918 N -4.89 3.88 -0.01 0.00 1.43 -0.79 -4.93 118.68 113.37 2ooq s LEU 918 Ca 0.06 2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 2ooq s LEU 918 Cb 0.11 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 2ooq s LEU 918 CO 0.71 -1.35 1.31 -2.16 0.23 0.00 0.00 176.35 175.09 2ooq s PRO 919 N -2.90 4.32 -0.08 1.29 0.04 -1.26 -4.99 135.00 131.42 2ooq s PRO 919 Ca 0.70 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 2ooq s PRO 919 Cb -0.35 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2ooq s PRO 919 CO 0.41 -0.51 0.19 -1.21 0.04 0.00 0.00 177.00 175.93 2ooq s GLU 920 N 2.22 3.52 2.59 4.56 2.02 -1.26 -4.76 118.70 127.59 2ooq s GLU 920 Ca 0.61 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.52 2ooq s GLU 920 Cb -0.29 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2ooq s GLU 920 CO 0.25 0.74 0.00 0.41 0.02 0.00 0.00 175.26 176.68 2ooq n GLY 921 N 1.75 -0.33 3.68 -1.39 0.00 -1.26 -4.78 105.19 102.86 2ooq n GLY 921 Ca -0.17 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2ooq n GLY 921 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ooq s GLN 922 N 0.00 4.26 0.00 1.61 0.74 -1.26 -4.66 119.66 120.35 2ooq s GLN 922 Ca 0.00 1.98 0.00 0.00 0.05 0.00 0.00 55.36 57.39 2ooq s GLN 922 Cb 0.00 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2ooq s GLN 922 CO 0.00 -0.63 0.45 0.25 -0.55 0.00 0.00 175.29 174.81 2ooq n THR 923 N 4.86 0.00 -3.87 -0.34 -2.24 -1.26 -5.07 114.28 106.36 2ooq n THR 923 Ca 0.14 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2ooq n THR 923 Cb 0.44 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 2ooq n THR 923 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ooq s ALA 924 N -0.03 -0.67 0.42 6.98 0.00 -1.26 -5.13 121.76 122.07 2ooq s ALA 924 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 2ooq s ALA 924 Cb 0.00 0.93 -0.08 0.00 0.00 0.00 0.00 23.12 23.97 2ooq s ALA 924 CO 0.00 -0.86 1.14 -1.54 0.00 0.00 0.00 175.76 174.50 2ooq s SER 925 N -2.94 6.44 -0.33 0.00 1.04 -1.26 -4.93 113.70 111.71 2ooq s SER 925 Ca 0.15 2.25 0.16 0.00 0.48 0.00 0.00 55.95 59.00 2ooq s SER 925 Cb -0.01 -2.60 0.45 0.00 0.10 0.00 0.00 66.02 63.95 2ooq s SER 925 CO 0.04 -0.73 0.96 -2.67 0.98 0.00 0.00 173.24 171.81 2ooq n TRP 926 N -0.19 1.35 -0.20 5.02 2.14 -1.26 -0.98 117.44 123.32 2ooq n TRP 926 Ca 0.06 -2.86 -0.05 0.00 2.07 0.00 0.00 57.50 56.72 2ooq n TRP 926 Cb 0.48 -0.35 0.05 0.00 -0.81 0.00 0.00 31.31 30.68 2ooq n TRP 926 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2ooq h ASP 927 N 2.96 0.57 -0.39 -0.67 3.32 -1.94 -2.29 116.42 117.98 2ooq h ASP 927 Ca -0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2ooq h ASP 927 Cb 1.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2ooq h ASP 927 CO 0.54 0.40 0.03 0.74 -1.72 0.00 0.00 179.24 179.22 2ooq h THR 928 N 0.70 1.25 -0.76 0.35 2.02 -1.94 -2.84 112.91 111.69 2ooq h THR 928 Ca 0.23 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.51 2ooq h THR 928 Cb 0.02 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 2ooq h THR 928 CO -0.10 0.32 0.50 0.00 0.37 0.00 0.00 175.52 176.61 2ooq h ALA 929 N 0.90 1.61 -0.38 6.16 0.00 -1.69 -1.58 119.26 124.28 2ooq h ALA 929 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ooq h ALA 929 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ooq h ALA 929 CO 0.02 0.29 0.00 0.36 0.00 0.00 0.00 179.25 179.92 2ooq n LYS 930 N -4.47 1.94 -1.96 0.00 2.85 -0.90 -4.47 118.16 111.16 2ooq n LYS 930 Ca 0.11 -1.46 -0.41 0.00 -1.05 0.00 0.00 58.31 55.49 2ooq n LYS 930 Cb 0.17 -1.34 -0.02 0.00 -0.65 0.00 0.00 35.03 33.20 2ooq n LYS 930 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ooq s GLU 931 N -1.49 4.23 0.29 -1.58 0.41 -0.60 -4.90 118.70 115.06 2ooq s GLU 931 Ca 0.29 2.36 0.02 0.00 -0.41 0.00 0.00 54.97 57.23 2ooq s GLU 931 Cb 0.15 -3.09 0.72 0.00 -1.78 0.00 0.00 34.13 30.12 2ooq s GLU 931 CO 0.20 -0.47 1.66 -0.44 -0.49 0.00 0.00 175.26 175.72 2ooq h ASP 932 N 5.03 0.07 0.38 -0.19 3.32 -1.90 0.22 116.42 123.35 2ooq h ASP 932 Ca -0.46 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2ooq h ASP 932 Cb 1.22 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2ooq h ASP 932 CO 0.78 -0.13 0.00 -0.62 -1.72 0.00 0.00 179.24 177.55 2ooq n GLU 933 N -5.19 0.08 0.00 3.56 4.71 -1.26 -2.05 120.64 120.49 2ooq n GLU 933 Ca 0.22 0.42 0.05 0.00 -0.01 0.00 0.00 57.16 57.84 2ooq n GLU 933 Cb 0.68 -1.69 0.04 0.00 -1.01 0.00 0.00 31.44 29.46 2ooq n GLU 933 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ooq n ASN 934 N -1.86 1.84 -0.35 1.62 3.02 0.76 -4.68 115.26 115.62 2ooq n ASN 934 Ca 0.02 -1.42 0.07 0.00 -0.03 0.00 0.00 54.58 53.22 2ooq n ASN 934 Cb 0.13 0.04 0.25 0.00 -0.61 0.00 0.00 39.78 39.59 2ooq n ASN 934 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2ooq h ARG 935 N 2.04 0.95 -0.02 3.52 9.65 -1.13 -1.56 114.38 127.83 2ooq h ARG 935 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2ooq h ARG 935 Cb 0.44 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 2ooq h ARG 935 CO 0.00 0.63 0.00 0.09 2.80 0.00 0.00 179.97 183.49 2ooq n ASN 936 N -4.60 0.59 -0.93 -3.80 3.02 -1.26 -2.72 115.26 105.56 2ooq n ASN 936 Ca 0.18 -1.25 0.12 0.00 -0.03 0.00 0.00 54.58 53.60 2ooq n ASN 936 Cb 0.35 -0.01 0.15 0.00 -0.61 0.00 0.00 39.78 39.66 2ooq n ASN 936 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ooq n LYS 937 N -0.51 2.28 -4.32 3.52 5.02 -0.59 -4.89 118.16 118.67 2ooq n LYS 937 Ca 0.21 -1.87 -0.34 0.00 -2.02 0.00 0.00 58.31 54.29 2ooq n LYS 937 Cb 0.20 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 2ooq n LYS 937 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ooq s ASN 938 N -1.95 4.23 -0.07 4.39 0.01 -1.10 -4.39 114.94 116.06 2ooq s ASN 938 Ca 0.30 -0.33 -0.26 0.00 -0.71 0.00 0.00 52.86 51.86 2ooq s ASN 938 Cb 0.20 -1.69 -0.21 0.00 0.41 0.00 0.00 41.25 39.96 2ooq s ASN 938 CO 0.30 0.08 0.98 -0.09 -1.51 0.00 0.00 177.10 176.87 2ooq h ARG 939 N 7.34 -0.04 -5.02 -0.60 2.43 -1.88 -3.43 114.38 113.17 2ooq h ARG 939 Ca -0.34 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.17 2ooq h ARG 939 Cb 1.18 0.01 -0.31 0.00 -0.42 0.00 0.00 29.97 30.43 2ooq h ARG 939 CO 0.59 0.61 -0.79 0.71 -1.51 0.00 0.00 179.97 179.58 2ooq s TYR 940 N -3.29 2.87 0.64 2.20 4.12 -1.26 -5.02 117.35 117.62 2ooq s TYR 940 Ca -0.16 -1.30 0.35 0.00 0.02 0.00 0.00 57.07 55.98 2ooq s TYR 940 Cb -0.00 -2.01 1.91 0.00 -1.52 0.00 0.00 41.96 40.33 2ooq s TYR 940 CO 0.63 -0.68 2.13 0.78 0.02 0.00 0.00 175.55 178.43 2ooq h GLY 941 N 8.03 0.00 0.93 0.71 0.00 -1.97 -1.78 103.07 108.99 2ooq h GLY 941 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2ooq h GLY 941 CO 0.62 0.00 -1.26 0.70 0.00 0.00 0.00 176.54 176.60 2ooq n ASN 942 N -3.25 0.81 -4.06 0.19 4.13 -1.26 -4.49 115.26 107.32 2ooq n ASN 942 Ca -0.01 0.33 -0.35 0.00 1.68 0.00 0.00 54.58 56.24 2ooq n ASN 942 Cb 0.26 0.38 -0.08 0.00 -1.54 0.00 0.00 39.78 38.80 2ooq n ASN 942 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2ooq s ILE 943 N -3.15 3.95 0.38 2.41 -1.09 -0.67 -4.93 121.20 118.11 2ooq s ILE 943 Ca -0.02 -3.79 0.04 0.00 -2.23 0.00 0.00 60.65 54.65 2ooq s ILE 943 Cb 0.09 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2ooq s ILE 943 CO 0.81 -1.03 0.06 0.27 -1.23 0.00 0.00 174.94 173.81 2ooq s ILE 944 N -1.14 1.21 -0.21 2.92 -4.36 -1.26 -4.61 121.20 113.75 2ooq s ILE 944 Ca 0.25 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.41 2ooq s ILE 944 Cb -0.09 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 2ooq s ILE 944 CO -0.11 0.00 0.72 -0.55 0.24 0.00 0.00 174.94 175.24 2ooq s SER 945 N -3.59 6.77 0.34 4.36 0.15 -1.26 -4.62 113.70 115.85 2ooq s SER 945 Ca 0.30 0.94 -0.29 0.00 0.70 0.00 0.00 55.95 57.61 2ooq s SER 945 Cb 0.07 -2.39 -0.11 0.00 -1.71 0.00 0.00 66.02 61.88 2ooq s SER 945 CO 0.14 -0.37 1.41 -0.31 1.20 0.00 0.00 173.24 175.31 2ooq s TYR 946 N 2.26 2.85 0.22 3.44 2.02 -1.26 -4.47 117.35 122.41 2ooq s TYR 946 Ca 0.32 1.24 -0.09 0.00 -0.37 0.00 0.00 57.07 58.17 2ooq s TYR 946 Cb -0.16 -3.85 0.19 0.00 -0.40 0.00 0.00 41.96 37.74 2ooq s TYR 946 CO 0.10 -2.48 1.89 -0.44 -1.57 0.00 0.00 175.55 173.04 2ooq h ASP 947 N 3.51 0.99 -0.18 2.29 3.32 -1.40 -1.93 116.42 123.01 2ooq h ASP 947 Ca -0.49 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.48 2ooq h ASP 947 Cb 1.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2ooq h ASP 947 CO 0.67 0.73 0.02 1.12 -1.72 0.00 0.00 179.24 180.06 2ooq h HIS 948 N 1.15 0.42 -0.07 4.55 2.07 -1.92 -3.05 115.15 118.30 2ooq h HIS 948 Ca 0.31 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 2ooq h HIS 948 Cb -0.10 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.75 2ooq h HIS 948 CO -0.01 0.41 0.00 -1.13 -3.07 0.00 0.00 177.93 174.14 2ooq n SER 949 N -4.33 1.89 -4.79 3.10 3.41 -1.10 -5.04 113.62 106.75 2ooq n SER 949 Ca 0.01 -1.49 -0.35 0.00 -0.26 0.00 0.00 58.87 56.78 2ooq n SER 949 Cb 0.20 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2ooq n SER 949 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ooq s ARG 950 N -0.72 3.75 -0.37 4.33 1.70 -0.74 -1.19 118.95 125.71 2ooq s ARG 950 Ca 0.11 1.50 -0.28 0.00 -0.47 0.00 0.00 55.73 56.59 2ooq s ARG 950 Cb 0.07 -2.19 0.02 0.00 -0.57 0.00 0.00 34.95 32.28 2ooq s ARG 950 CO 0.10 -0.50 1.06 0.08 -1.08 0.00 0.00 175.30 174.96 2ooq s VAL 951 N -1.82 4.45 -0.15 4.99 1.01 -0.71 -4.77 120.40 123.40 2ooq s VAL 951 Ca 0.66 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.94 2ooq s VAL 951 Cb -0.21 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2ooq s VAL 951 CO 0.25 -0.62 0.53 -0.13 0.00 0.00 0.00 175.10 175.13 2ooq s ARG 952 N 3.81 4.29 0.21 2.72 1.81 -1.26 -4.27 118.95 126.26 2ooq s ARG 952 Ca 0.44 0.51 -0.18 0.00 -1.72 0.00 0.00 55.73 54.78 2ooq s ARG 952 Cb -0.11 -3.49 -0.08 0.00 -0.45 0.00 0.00 34.95 30.82 2ooq s ARG 952 CO 0.20 0.00 0.68 -0.51 -0.68 0.00 0.00 175.30 175.00 2ooq s LEU 953 N 1.12 4.33 0.23 2.53 1.43 -0.30 -5.04 118.68 122.98 2ooq s LEU 953 Ca 0.27 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.40 2ooq s LEU 953 Cb -0.16 -3.53 -0.15 0.00 0.03 0.00 0.00 46.19 42.39 2ooq s LEU 953 CO 0.11 0.04 1.02 0.18 0.23 0.00 0.00 176.35 177.93 2ooq n LEU 954 N 0.71 1.31 -4.73 1.79 4.32 -1.26 -4.23 117.00 114.90 2ooq n LEU 954 Ca -0.03 1.16 -0.41 0.00 -0.02 0.00 0.00 56.01 56.71 2ooq n LEU 954 Cb 0.51 -1.21 -0.04 0.00 -1.62 0.00 0.00 43.42 41.06 2ooq n LEU 954 CO 0.43 -1.55 0.63 -0.69 -1.22 0.00 0.00 177.39 174.99 2ooq s VAL 955 N -0.68 4.60 -0.24 4.08 1.01 -1.26 -4.54 120.40 123.37 2ooq s VAL 955 Ca 0.66 1.99 -0.05 0.00 0.00 0.00 0.00 61.98 64.58 2ooq s VAL 955 Cb -0.80 -4.28 -0.17 0.00 0.00 0.00 0.00 36.38 31.13 2ooq s VAL 955 CO 0.56 0.30 -0.15 0.18 0.00 0.00 0.00 175.10 175.99 2ooq n LEU 956 N 2.97 2.60 -2.15 3.92 4.77 -1.26 -5.04 117.00 122.80 2ooq n LEU 956 Ca 0.02 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 2ooq n LEU 956 Cb 0.50 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 2ooq n LEU 956 CO 0.50 0.79 -0.34 -0.67 -1.33 0.00 0.00 177.39 176.35 2ooq n ASP 959 N -3.62 -3.05 0.26 -1.43 2.03 -1.26 -4.97 116.55 104.51 2ooq n ASP 959 Ca -0.46 0.78 0.14 0.00 0.52 0.00 0.00 54.79 55.78 2ooq n ASP 959 Cb 0.95 -3.43 0.84 0.00 -0.72 0.00 0.00 41.12 38.76 2ooq n ASP 959 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ooq h PRO 960 N 2.03 0.00 -0.29 -0.67 0.11 -2.03 -0.31 132.00 130.85 2ooq h PRO 960 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2ooq h PRO 960 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2ooq h PRO 960 CO 0.03 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.54 2ooq n HIS 961 N -4.00 0.38 1.44 0.65 8.25 -1.26 -4.07 115.22 116.60 2ooq n HIS 961 Ca -0.02 -0.19 0.08 0.00 -0.26 0.00 0.00 57.72 57.34 2ooq n HIS 961 Cb 0.14 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.74 2ooq n HIS 961 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ooq n SER 962 N 0.43 0.00 -0.43 0.41 3.41 -0.13 -3.26 113.62 114.05 2ooq n SER 962 Ca 0.13 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.95 2ooq n SER 962 Cb 0.30 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.79 2ooq n SER 962 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ooq n ASP 963 N -0.86 1.35 -4.73 4.04 5.75 -1.26 -4.68 116.55 116.16 2ooq n ASP 963 Ca 0.12 -1.49 -0.35 0.00 -0.01 0.00 0.00 54.79 53.06 2ooq n ASP 963 Cb 0.06 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 2ooq n ASP 963 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2ooq s TYR 964 N -1.96 3.41 0.02 2.11 5.04 -1.20 -1.15 117.35 123.62 2ooq s TYR 964 Ca 0.38 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 2ooq s TYR 964 Cb 0.20 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.38 2ooq s TYR 964 CO 0.32 0.33 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.32 2ooq s ILE 965 N 0.19 0.24 -1.20 3.14 2.07 -1.26 -4.94 121.20 119.43 2ooq s ILE 965 Ca 0.08 -0.58 -0.21 0.00 -1.41 0.00 0.00 60.65 58.53 2ooq s ILE 965 Cb -0.11 -0.29 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 2ooq s ILE 965 CO -0.01 -0.23 1.88 -3.20 -1.91 0.00 0.00 174.94 171.47 2ooq n ASN 966 N 2.21 3.69 -3.70 4.50 5.15 -1.26 -4.69 115.26 121.17 2ooq n ASN 966 Ca -0.18 -2.78 -0.15 0.00 -0.60 0.00 0.00 54.58 50.87 2ooq n ASN 966 Cb 0.57 -1.69 -0.08 0.00 -0.53 0.00 0.00 39.78 38.05 2ooq n ASN 966 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ooq s ALA 967 N 7.96 -1.04 0.00 5.20 0.00 -1.26 -2.85 121.76 129.76 2ooq s ALA 967 Ca 0.62 0.60 0.02 0.00 0.00 0.00 0.00 51.96 53.20 2ooq s ALA 967 Cb 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2ooq s ALA 967 CO 0.11 -0.29 -0.07 -0.80 0.00 0.00 0.00 175.76 174.71 2ooq s ASN 968 N -1.26 0.78 0.38 0.00 -0.87 -0.22 -1.74 114.94 112.00 2ooq s ASN 968 Ca -0.13 -0.18 -0.27 0.00 -1.57 0.00 0.00 52.86 50.71 2ooq s ASN 968 Cb -0.04 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.25 41.02 2ooq s ASN 968 CO 0.06 0.04 1.41 -0.31 -2.57 0.00 0.00 177.10 175.73 2ooq s TYR 969 N -0.31 2.70 -0.09 2.20 2.02 -0.33 -0.90 117.35 122.64 2ooq s TYR 969 Ca 0.01 1.27 0.01 0.00 -0.37 0.00 0.00 57.07 57.99 2ooq s TYR 969 Cb -0.03 -3.88 0.02 0.00 -0.40 0.00 0.00 41.96 37.66 2ooq s TYR 969 CO -0.00 -2.61 -0.09 0.42 -1.57 0.00 0.00 175.55 171.70 2ooq s ILE 970 N -1.16 1.03 0.41 2.71 -1.09 0.69 -4.86 121.20 118.93 2ooq s ILE 970 Ca 0.54 -0.35 -0.26 0.00 -2.23 0.00 0.00 60.65 58.35 2ooq s ILE 970 Cb -0.43 -1.00 -0.09 0.00 -1.58 0.00 0.00 42.46 39.36 2ooq s ILE 970 CO 0.58 0.35 1.31 -1.81 -1.23 0.00 0.00 174.94 174.14 2ooq s ASP 971 N 1.22 6.28 0.35 3.58 1.01 -1.26 -1.45 116.67 126.41 2ooq s ASP 971 Ca -0.04 2.68 0.06 0.00 0.71 0.00 0.00 52.55 55.95 2ooq s ASP 971 Cb -0.14 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.21 2ooq s ASP 971 CO -0.03 -0.87 0.49 0.61 0.21 0.00 0.00 175.17 175.58 2ooq n GLY 972 N 0.66 1.96 0.24 0.21 0.00 0.41 -4.77 105.19 103.90 2ooq n GLY 972 Ca 0.04 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 2ooq n GLY 972 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ooq h TYR 973 N 0.07 -0.50 0.00 1.61 3.20 -1.95 -3.19 116.97 116.21 2ooq h TYR 973 Ca -0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.69 2ooq h TYR 973 Cb 0.76 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2ooq h TYR 973 CO 0.00 -0.24 -0.22 0.45 -1.64 0.00 0.00 178.16 176.51 2ooq h HIS 974 N -0.69 0.00 -2.44 -3.82 -0.00 -1.96 -3.47 115.15 102.77 2ooq h HIS 974 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.24 2ooq h HIS 974 Cb 0.49 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 27.64 2ooq h HIS 974 CO -0.02 0.00 -0.30 -0.98 -0.00 0.00 0.00 177.93 176.63 2ooq s ARG 975 N -3.21 0.39 0.63 2.45 1.04 -1.21 -5.15 118.95 113.90 2ooq s ARG 975 Ca 0.07 1.05 -0.17 0.00 -1.04 0.00 0.00 55.73 55.64 2ooq s ARG 975 Cb 0.08 0.32 -0.02 0.00 -2.04 0.00 0.00 34.95 33.30 2ooq s ARG 975 CO 0.68 -0.22 1.14 -1.25 -0.04 0.00 0.00 175.30 175.60 2ooq s PRO 976 N 2.36 2.89 -1.41 3.89 0.04 -1.26 -0.44 135.00 141.07 2ooq s PRO 976 Ca -0.04 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.43 2ooq s PRO 976 Cb -0.11 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.55 2ooq s PRO 976 CO -0.14 -1.20 0.64 0.54 0.04 0.00 0.00 177.00 176.87 2ooq n ARG 977 N -2.06 -4.08 0.02 4.56 1.74 -1.26 -4.79 116.66 110.80 2ooq n ARG 977 Ca 0.11 0.56 -0.05 0.00 -0.77 0.00 0.00 57.85 57.70 2ooq n ARG 977 Cb 0.51 -5.34 0.14 0.00 -1.02 0.00 0.00 32.46 26.76 2ooq n ARG 977 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2ooq h HIS 978 N -1.31 0.56 -2.57 -1.55 2.76 -1.35 -3.40 115.15 108.29 2ooq h HIS 978 Ca -0.49 -0.15 -0.52 0.00 -2.20 0.00 0.00 60.37 57.01 2ooq h HIS 978 Cb 1.33 -0.12 -0.14 0.00 1.55 0.00 0.00 27.41 30.02 2ooq h HIS 978 CO 0.62 0.79 -0.73 0.71 -1.30 0.00 0.00 177.93 178.03 2ooq s TYR 979 N -4.25 1.98 -0.22 5.26 2.02 -0.53 -1.74 117.35 119.87 2ooq s TYR 979 Ca -0.07 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2ooq s TYR 979 Cb 0.13 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2ooq s TYR 979 CO 0.81 0.47 -0.07 0.42 -1.57 0.00 0.00 175.55 175.60 2ooq s ILE 980 N -2.81 3.06 -0.12 2.71 1.01 0.09 -0.22 121.20 124.91 2ooq s ILE 980 Ca 0.27 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 2ooq s ILE 980 Cb -0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2ooq s ILE 980 CO 0.11 0.42 0.56 0.00 0.00 0.00 0.00 174.94 176.03 2ooq s ALA 981 N 1.43 3.45 0.20 9.38 0.00 -0.08 0.11 121.76 136.25 2ooq s ALA 981 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2ooq s ALA 981 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 2ooq s ALA 981 CO -0.05 -0.14 0.32 -0.08 0.00 0.00 0.00 175.76 175.81 2ooq s THR 982 N 0.93 0.03 0.71 0.00 -1.32 -0.23 -1.06 115.64 114.70 2ooq s THR 982 Ca 0.29 -1.53 -0.11 0.00 -1.21 0.00 0.00 61.69 59.13 2ooq s THR 982 Cb -0.16 -2.12 0.01 0.00 -1.51 0.00 0.00 72.50 68.72 2ooq s THR 982 CO 0.12 -0.12 1.06 0.00 -2.21 0.00 0.00 174.62 173.47 2ooq s GLN 983 N -4.03 2.84 0.22 7.08 -2.07 -1.13 -3.80 119.66 118.77 2ooq s GLN 983 Ca 0.24 0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 54.37 2ooq s GLN 983 Cb 0.03 -1.98 -0.10 0.00 -1.09 0.00 0.00 33.01 29.87 2ooq s GLN 983 CO 0.06 -1.15 1.41 0.20 -1.32 0.00 0.00 175.29 174.49 2ooq s GLY 984 N -3.83 2.30 0.39 2.60 0.00 0.19 -4.79 107.32 104.17 2ooq s GLY 984 Ca 0.58 1.26 -0.24 0.00 0.00 0.00 0.00 44.72 46.32 2ooq s GLY 984 CO 0.55 2.25 0.78 -1.05 0.00 0.00 0.00 173.10 175.63 2ooq n PRO 985 N 2.59 0.93 -3.76 2.90 -0.02 -1.26 -4.78 135.00 131.59 2ooq n PRO 985 Ca 0.07 0.33 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 2ooq n PRO 985 Cb 0.41 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 2ooq n PRO 985 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2ooq s MET 986 N -1.71 3.40 0.30 -0.52 -1.94 -1.26 -1.82 119.30 115.75 2ooq s MET 986 Ca 0.63 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.95 2ooq s MET 986 Cb -0.62 -2.82 0.78 0.00 2.01 0.00 0.00 34.83 34.18 2ooq s MET 986 CO 0.58 0.30 1.62 0.37 -0.01 0.00 0.00 175.02 177.88 2ooq h GLN 987 N 1.03 0.13 -0.11 2.03 5.75 -1.95 0.79 115.11 122.77 2ooq h GLN 987 Ca -0.51 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 57.84 2ooq h GLN 987 Cb 1.23 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2ooq h GLN 987 CO 0.60 0.09 -0.55 0.93 -2.65 0.00 0.00 178.83 177.24 2ooq h GLU 988 N 0.13 0.34 -0.07 1.69 3.07 -1.95 -3.32 114.58 114.48 2ooq h GLU 988 Ca 0.59 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2ooq h GLU 988 Cb 1.25 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2ooq h GLU 988 CO -0.74 0.80 0.00 0.25 -1.40 0.00 0.00 179.01 177.93 2ooq n THR 989 N -3.93 0.06 -0.17 1.13 -2.24 0.20 -4.44 114.28 104.90 2ooq n THR 989 Ca -0.02 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.21 2ooq n THR 989 Cb 0.59 1.44 0.07 0.00 -2.10 0.00 0.00 70.33 70.33 2ooq n THR 989 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ooq h VAL 990 N 4.66 0.69 -0.91 2.28 2.07 -1.47 0.14 116.25 123.71 2ooq h VAL 990 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2ooq h VAL 990 Cb 0.99 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2ooq h VAL 990 CO 0.00 0.04 0.52 0.07 0.02 0.00 0.00 177.57 178.22 2ooq h LYS 991 N 0.22 1.26 -0.64 1.57 2.10 -1.85 -2.03 116.57 117.19 2ooq h LYS 991 Ca 0.26 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.71 2ooq h LYS 991 Cb 0.36 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2ooq h LYS 991 CO -0.35 0.90 0.14 -0.44 -2.00 0.00 0.00 179.45 177.70 2ooq h ASP 992 N 1.27 0.97 -0.34 7.07 3.32 -1.58 -0.62 116.42 126.50 2ooq h ASP 992 Ca 0.32 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2ooq h ASP 992 Cb -0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2ooq h ASP 992 CO -0.06 0.94 0.21 0.15 -1.72 0.00 0.00 179.24 178.77 2ooq h PHE 993 N 0.97 0.43 -0.15 4.55 3.57 -0.33 -0.74 116.94 125.25 2ooq h PHE 993 Ca 0.20 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 2ooq h PHE 993 Cb 0.36 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2ooq h PHE 993 CO 0.03 0.30 -0.49 -1.49 -2.23 0.00 0.00 178.31 174.42 2ooq h TRP 994 N 0.44 0.49 -0.73 0.41 4.06 -1.09 -1.70 115.95 117.83 2ooq h TRP 994 Ca 0.12 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 60.92 2ooq h TRP 994 Cb -0.02 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 2ooq h TRP 994 CO -0.05 0.82 0.48 -0.09 -3.56 0.00 0.00 178.44 176.04 2ooq h ARG 995 N 0.32 0.95 -0.06 0.49 2.43 -0.89 -0.71 114.38 116.90 2ooq h ARG 995 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ooq h ARG 995 Cb 0.98 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2ooq h ARG 995 CO 0.09 0.63 0.03 1.98 -1.51 0.00 0.00 179.97 181.18 2ooq h MET 996 N 0.98 0.09 -0.61 0.20 4.05 -0.82 0.14 114.93 118.96 2ooq h MET 996 Ca 0.27 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.80 2ooq h MET 996 Cb -0.10 -0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 30.57 2ooq h MET 996 CO -0.06 0.20 -0.13 0.82 0.23 0.00 0.00 176.91 177.96 2ooq h ILE 997 N -0.04 0.41 0.08 1.77 2.04 -1.21 0.19 117.51 120.75 2ooq h ILE 997 Ca 0.02 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2ooq h ILE 997 Cb 0.14 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ooq h ILE 997 CO -0.00 0.00 -0.04 -0.25 0.00 0.00 0.00 178.15 177.86 2ooq h TRP 998 N 0.01 -0.09 -0.87 1.37 2.91 -0.81 -2.31 115.95 116.15 2ooq h TRP 998 Ca 0.30 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.40 2ooq h TRP 998 Cb 0.46 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.07 2ooq h TRP 998 CO -0.48 0.18 0.53 0.37 -1.03 0.00 0.00 178.44 178.01 2ooq h GLN 999 N -0.37 0.88 -0.01 2.65 4.15 -0.39 -2.67 115.11 119.36 2ooq h GLN 999 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2ooq h GLN 999 Cb 0.32 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2ooq h GLN 999 CO 0.02 0.58 -0.21 0.39 -1.93 0.00 0.00 178.83 177.68 2ooq n GLU 1000N -4.67 0.89 -2.64 1.69 -0.58 0.63 -4.95 120.64 111.02 2ooq n GLU 1000Ca 0.14 -0.49 -0.19 0.00 -0.42 0.00 0.00 57.16 56.19 2ooq n GLU 1000Cb 0.24 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.64 2ooq n GLU 1000CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ooq n ASN 1001N -0.63 -5.55 -4.76 1.62 5.15 -0.89 -4.01 115.26 106.18 2ooq n ASN 1001Ca 0.13 -0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 2ooq n ASN 1001Cb 0.34 -4.50 -0.03 0.00 -0.53 0.00 0.00 39.78 35.06 2ooq n ASN 1001CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2ooq s SER 1002N -2.44 6.98 -0.01 1.20 0.01 -1.07 -0.50 113.70 117.87 2ooq s SER 1002Ca 0.13 2.47 0.08 0.00 1.31 0.00 0.00 55.95 59.95 2ooq s SER 1002Cb -0.06 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.43 2ooq s SER 1002CO 0.17 -0.40 0.27 0.00 0.41 0.00 0.00 173.24 173.69 2ooq n ALA 1003N 1.39 2.71 -3.02 1.44 0.00 -1.26 -4.88 120.51 116.89 2ooq n ALA 1003Ca 0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 2ooq n ALA 1003Cb 0.43 -0.29 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 2ooq n ALA 1003CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ooq s SER 1004N -2.34 0.95 -0.11 0.00 0.01 -1.26 -1.04 113.70 109.92 2ooq s SER 1004Ca 0.00 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2ooq s SER 1004Cb 0.06 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2ooq s SER 1004CO 0.34 0.05 -0.20 -0.63 0.41 0.00 0.00 173.24 173.21 2ooq s ILE 1005N 0.19 2.43 -0.28 1.44 1.01 0.19 -1.35 121.20 124.81 2ooq s ILE 1005Ca -0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2ooq s ILE 1005Cb -0.07 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2ooq s ILE 1005CO 0.00 0.55 -0.00 -0.69 0.00 0.00 0.00 174.94 174.79 2ooq s VAL 1006N 0.34 3.15 -0.31 2.92 1.01 0.14 0.03 120.40 127.68 2ooq s VAL 1006Ca -0.16 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 2ooq s VAL 1006Cb -0.17 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2ooq s VAL 1006CO 0.08 0.04 0.08 -0.32 0.00 0.00 0.00 175.10 174.97 2ooq s MET 1007N 1.33 2.89 -0.59 2.72 0.00 0.18 -1.08 119.30 124.74 2ooq s MET 1007Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 55.69 54.71 2ooq s MET 1007Cb -0.18 -3.37 0.38 0.00 0.00 0.00 0.00 34.83 31.67 2ooq s MET 1007CO -0.02 -0.52 1.33 0.28 0.00 0.00 0.00 175.02 176.10 2ooq n VAL 1008N 4.82 3.01 -3.54 10.11 0.31 -0.37 -0.74 118.33 131.93 2ooq n VAL 1008Ca -0.14 -4.98 -0.14 0.00 -0.01 0.00 0.00 64.34 59.08 2ooq n VAL 1008Cb 0.47 -1.30 -0.05 0.00 -0.91 0.00 0.00 33.84 32.05 2ooq n VAL 1008CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ooq s THR 1009N -5.18 0.02 0.51 2.52 -1.32 -1.25 -4.73 115.64 106.22 2ooq s THR 1009Ca 0.48 -0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.74 2ooq s THR 1009Cb 0.38 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 2ooq s THR 1009CO -0.23 -0.10 0.81 0.20 -2.21 0.00 0.00 174.62 173.10 2ooq s ASN 1010N -2.07 6.02 0.14 8.08 0.01 -1.26 -4.80 114.94 121.06 2ooq s ASN 1010Ca -0.04 0.81 -0.12 0.00 -0.71 0.00 0.00 52.86 52.80 2ooq s ASN 1010Cb -0.01 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.63 2ooq s ASN 1010CO -0.03 -0.74 1.56 -0.07 -1.51 0.00 0.00 177.10 176.31 2ooq h LEU 1011N 0.11 0.88 -8.22 0.60 3.38 -1.95 -3.41 115.31 106.69 2ooq h LEU 1011Ca -0.46 -0.35 -0.58 0.00 0.09 0.00 0.00 57.88 56.58 2ooq h LEU 1011Cb 1.22 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.42 2ooq h LEU 1011CO 0.61 1.03 -0.84 -0.69 0.09 0.00 0.00 178.44 178.64 2ooq s VAL 1012N -4.84 1.50 -0.07 1.22 1.01 -1.26 -0.22 120.40 117.74 2ooq s VAL 1012Ca -0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2ooq s VAL 1012Cb 0.11 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2ooq s VAL 1012CO 0.83 0.43 -0.04 -1.61 0.00 0.00 0.00 175.10 174.72 2ooq s GLU 1013N 0.16 0.89 -1.43 2.72 2.02 -0.62 -4.84 118.70 117.60 2ooq s GLU 1013Ca -0.07 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.76 2ooq s GLU 1013Cb -0.13 -1.03 0.01 0.00 0.10 0.00 0.00 34.13 33.08 2ooq s GLU 1013CO 0.03 -0.19 0.26 1.55 0.02 0.00 0.00 175.26 176.93 2ooq n VAL 1014N 4.59 -1.87 -0.99 2.63 3.14 -1.26 -1.77 118.33 122.80 2ooq n VAL 1014Ca -0.16 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 2ooq n VAL 1014Cb 0.50 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.63 2ooq n VAL 1014CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ooq n GLY 1015N -2.36 0.49 3.21 7.55 0.00 -1.26 -5.00 105.19 107.82 2ooq n GLY 1015Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2ooq n GLY 1015CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ooq s ARG 1016N -0.23 2.76 0.05 1.61 1.70 -0.73 -5.10 118.95 119.02 2ooq s ARG 1016Ca 0.00 -0.83 -0.31 0.00 -0.47 0.00 0.00 55.73 54.12 2ooq s ARG 1016Cb 0.00 -2.15 -0.07 0.00 -0.57 0.00 0.00 34.95 32.16 2ooq s ARG 1016CO 0.00 0.21 1.38 0.08 -1.08 0.00 0.00 175.30 175.90 2ooq s VAL 1017N 0.25 3.57 -0.03 4.99 1.01 -1.26 -1.58 120.40 127.34 2ooq s VAL 1017Ca -0.15 1.05 0.15 0.00 0.00 0.00 0.00 61.98 63.04 2ooq s VAL 1017Cb -0.17 -3.67 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 2ooq s VAL 1017CO 0.07 0.04 0.31 0.29 0.00 0.00 0.00 175.10 175.80 2ooq n LYS 1018N 4.69 0.60 -3.64 2.72 4.76 0.70 -4.97 118.16 123.03 2ooq n LYS 1018Ca 0.12 -0.13 -0.08 0.00 -2.87 0.00 0.00 58.31 55.35 2ooq n LYS 1018Cb 0.43 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 32.19 2ooq n LYS 1018CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ooq s VAL 1020N 0.19 4.74 0.05 0.00 -7.23 -0.75 -4.68 120.40 112.72 2ooq s VAL 1020Ca 0.04 0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 60.75 2ooq s VAL 1020Cb -0.05 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 33.18 2ooq s VAL 1020CO -0.08 -0.11 1.53 -0.60 -0.31 0.00 0.00 175.10 175.53 2ooq s ARG 1021N -2.83 4.24 -0.01 4.82 3.52 -1.26 -4.71 118.95 122.72 2ooq s ARG 1021Ca 0.51 2.17 0.01 0.00 -0.13 0.00 0.00 55.73 58.29 2ooq s ARG 1021Cb -0.11 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2ooq s ARG 1021CO 0.19 -0.65 0.90 2.48 -0.81 0.00 0.00 175.30 177.41 2ooq n TYR 1022N 5.34 0.00 -4.26 5.12 0.18 -1.26 -5.04 117.16 117.24 2ooq n TYR 1022Ca 0.14 -0.42 -0.21 0.00 1.88 0.00 0.00 57.90 59.29 2ooq n TYR 1022Cb 0.42 -0.05 -0.12 0.00 -0.38 0.00 0.00 39.34 39.21 2ooq n TYR 1022CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2ooq s TRP 1023N -0.88 1.59 0.38 -3.48 -2.14 -1.26 -5.07 118.94 108.08 2ooq s TRP 1023Ca 0.02 -0.45 -0.12 0.00 2.66 0.00 0.00 56.10 58.20 2ooq s TRP 1023Cb 0.02 -0.86 -0.07 0.00 -3.10 0.00 0.00 33.47 29.45 2ooq s TRP 1023CO 0.00 0.17 0.77 -1.25 -2.66 0.00 0.00 176.95 173.99 2ooq s PRO 1024N -2.09 3.86 0.29 3.25 0.04 -1.26 -4.98 135.00 134.12 2ooq s PRO 1024Ca 0.06 0.57 0.11 0.00 0.04 0.00 0.00 61.00 61.77 2ooq s PRO 1024Cb -0.09 -2.39 0.42 0.00 0.04 0.00 0.00 34.50 32.48 2ooq s PRO 1024CO 0.04 0.01 1.65 -0.44 0.04 0.00 0.00 177.00 178.30 2ooq h ASP 1025N 1.56 0.01 0.00 6.66 3.32 -2.00 -3.43 116.42 122.55 2ooq h ASP 1025Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2ooq h ASP 1025Cb 1.18 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2ooq h ASP 1025CO 0.64 0.58 0.00 -0.67 -1.72 0.00 0.00 179.24 178.07 2ooq n ASP 1026N -3.86 0.00 -3.92 6.45 2.03 -1.26 -4.81 116.55 111.18 2ooq n ASP 1026Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 2ooq n ASP 1026Cb 0.58 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.85 2ooq n ASP 1026CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ooq s THR 1027N 0.00 0.09 0.05 5.18 -1.32 -1.26 -0.37 115.64 118.02 2ooq s THR 1027Ca 0.00 -0.33 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 2ooq s THR 1027Cb 0.00 -0.14 0.05 0.00 -1.51 0.00 0.00 72.50 70.90 2ooq s THR 1027CO 0.00 -0.15 0.49 -1.61 -2.21 0.00 0.00 174.62 171.14 2ooq s GLU 1028N -0.50 1.01 -0.20 7.08 2.02 -0.13 -4.97 118.70 123.02 2ooq s GLU 1028Ca -0.05 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.64 2ooq s GLU 1028Cb -0.03 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.66 2ooq s GLU 1028CO -0.00 -0.36 -0.11 0.08 0.02 0.00 0.00 175.26 174.88 2ooq s VAL 1029N -2.51 2.81 -0.35 2.63 1.01 -1.26 -0.75 120.40 121.99 2ooq s VAL 1029Ca -0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2ooq s VAL 1029Cb -0.01 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ooq s VAL 1029CO -0.02 0.48 0.11 -0.31 0.00 0.00 0.00 175.10 175.36 2ooq s TYR 1030N 1.31 3.31 0.00 5.22 2.02 0.27 -4.88 117.35 124.60 2ooq s TYR 1030Ca 0.04 -1.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.09 2ooq s TYR 1030Cb -0.14 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2ooq s TYR 1030CO -0.06 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 2ooq n GLY 1031N 4.76 1.35 0.11 0.71 0.00 -1.26 -0.76 105.19 110.09 2ooq n GLY 1031Ca -0.11 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2ooq n GLY 1031CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ooq n ASP 1032N 9.99 1.94 -4.50 1.61 5.75 -1.26 -5.00 116.55 125.09 2ooq n ASP 1032Ca 0.00 -2.72 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 2ooq n ASP 1032Cb 0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.68 2ooq n ASP 1032CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2ooq s ILE 1033N -2.14 5.22 -0.25 2.12 -1.09 0.06 -0.97 121.20 124.15 2ooq s ILE 1033Ca 0.22 -0.36 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 2ooq s ILE 1033Cb 0.19 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2ooq s ILE 1033CO 0.02 -0.21 0.59 -0.75 -1.23 0.00 0.00 174.94 173.36 2ooq s LYS 1034N 1.84 4.11 -0.10 2.79 2.20 0.65 -0.56 119.74 130.66 2ooq s LYS 1034Ca 0.08 0.48 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 2ooq s LYS 1034Cb -0.18 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2ooq s LYS 1034CO 0.11 -0.38 -0.22 0.08 -0.36 0.00 0.00 175.35 174.59 2ooq s VAL 1035N 2.38 1.89 -0.08 4.02 1.01 0.07 -1.62 120.40 128.08 2ooq s VAL 1035Ca 0.25 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2ooq s VAL 1035Cb -0.16 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2ooq s VAL 1035CO 0.09 0.52 -0.11 -0.89 0.00 0.00 0.00 175.10 174.71 2ooq s THR 1036N 0.47 1.11 0.03 3.92 2.01 -0.74 -0.96 115.64 121.48 2ooq s THR 1036Ca -0.16 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2ooq s THR 1036Cb -0.17 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2ooq s THR 1036CO 0.06 0.36 1.20 -0.22 -0.69 0.00 0.00 174.62 175.33 2ooq s LEU 1037N 0.97 4.35 -0.00 4.42 2.96 0.51 -0.95 118.68 130.93 2ooq s LEU 1037Ca -0.09 1.96 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 2ooq s LEU 1037Cb -0.15 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2ooq s LEU 1037CO 0.00 -0.50 0.08 2.30 -1.32 0.00 0.00 176.35 176.91 2ooq n ILE 1038N 4.11 0.00 -3.64 6.68 -5.35 0.07 -4.92 119.36 116.31 2ooq n ILE 1038Ca 0.09 -0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.26 2ooq n ILE 1038Cb 0.46 0.60 -0.07 0.00 -1.74 0.00 0.00 39.64 38.89 2ooq n ILE 1038CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2ooq s GLU 1039N -1.91 0.80 -0.11 6.28 2.12 -1.03 -4.97 118.70 119.88 2ooq s GLU 1039Ca -0.00 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2ooq s GLU 1039Cb 0.02 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.81 2ooq s GLU 1039CO 0.11 -0.13 -0.19 0.99 -0.54 0.00 0.00 175.26 175.51 2ooq s THR 1040N 0.07 1.71 -0.41 -1.70 2.01 -1.26 -0.75 115.64 115.31 2ooq s THR 1040Ca -0.02 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2ooq s THR 1040Cb -0.04 -1.52 0.11 0.00 0.01 0.00 0.00 72.50 71.06 2ooq s THR 1040CO 0.02 0.48 0.14 -0.70 -0.69 0.00 0.00 174.62 173.88 2ooq s GLU 1041N 0.71 1.54 0.09 4.92 2.12 0.10 -5.00 118.70 123.18 2ooq s GLU 1041Ca -0.12 -2.05 -0.28 0.00 0.36 0.00 0.00 54.97 52.89 2ooq s GLU 1041Cb -0.16 -3.01 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2ooq s GLU 1041CO 0.02 -1.02 0.89 -1.25 -0.54 0.00 0.00 175.26 173.36 2ooq s PRO 1042N 0.53 4.63 0.37 4.30 0.04 -1.26 -1.34 135.00 142.27 2ooq s PRO 1042Ca 0.14 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.52 2ooq s PRO 1042Cb -0.22 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 2ooq s PRO 1042CO -0.06 0.24 0.09 1.28 0.04 0.00 0.00 177.00 178.59 2ooq n LEU 1043N 2.78 0.00 -0.13 -3.56 4.77 0.31 -5.00 117.00 116.18 2ooq n LEU 1043Ca 0.01 -2.66 -0.09 0.00 -0.03 0.00 0.00 56.01 53.24 2ooq n LEU 1043Cb 0.49 0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 42.31 2ooq n LEU 1043CO 0.50 -0.40 0.95 0.00 -1.33 0.00 0.00 177.39 177.11 2ooq h ALA 1044N 1.48 0.49 -0.03 -1.18 0.00 -2.02 -3.29 119.26 114.72 2ooq h ALA 1044Ca -0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ooq h ALA 1044Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2ooq h ALA 1044CO 0.47 0.05 0.00 0.39 0.00 0.00 0.00 179.25 180.15 2ooq n GLU 1045N -4.72 0.25 -3.82 0.00 1.02 -1.26 -4.98 120.64 107.13 2ooq n GLU 1045Ca -0.00 -0.97 -0.07 0.00 -0.02 0.00 0.00 57.16 56.09 2ooq n GLU 1045Cb 0.10 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 2ooq n GLU 1045CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ooq s TYR 1046N -0.55 -0.21 -0.02 -0.32 -0.85 -1.24 -0.72 117.35 113.45 2ooq s TYR 1046Ca 0.07 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2ooq s TYR 1046Cb 0.05 0.69 0.02 0.00 0.38 0.00 0.00 41.96 43.10 2ooq s TYR 1046CO 0.07 -1.17 0.01 0.54 -1.52 0.00 0.00 175.55 173.48 2ooq s VAL 1047N -3.85 0.07 -0.23 -3.49 0.11 0.02 -0.53 120.40 112.51 2ooq s VAL 1047Ca 0.10 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.17 2ooq s VAL 1047Cb -0.05 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 2ooq s VAL 1047CO 0.05 0.09 0.05 -0.63 -3.33 0.00 0.00 175.10 171.33 2ooq s ILE 1048N 0.71 4.31 -0.12 7.04 1.01 -0.45 -0.92 121.20 132.79 2ooq s ILE 1048Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 2ooq s ILE 1048Cb -0.09 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 2ooq s ILE 1048CO -0.02 0.38 -0.09 -0.13 0.00 0.00 0.00 174.94 175.08 2ooq s ARG 1049N 1.25 3.27 -0.05 2.79 0.52 -0.49 0.00 118.95 126.24 2ooq s ARG 1049Ca 0.04 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 2ooq s ARG 1049Cb -0.15 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 2ooq s ARG 1049CO 0.03 0.34 -0.15 0.99 0.02 0.00 0.00 175.30 176.53 2ooq s THR 1050N 0.04 2.97 0.12 0.02 2.01 0.07 -0.38 115.64 120.49 2ooq s THR 1050Ca -0.03 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.25 2ooq s THR 1050Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2ooq s THR 1050CO 0.04 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.10 2ooq s PHE 1051N -0.61 1.09 0.08 4.92 0.08 0.40 -0.75 117.98 123.19 2ooq s PHE 1051Ca 0.09 -0.76 -0.06 0.00 0.12 0.00 0.00 56.93 56.32 2ooq s PHE 1051Cb -0.11 -0.59 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 2ooq s PHE 1051CO 0.01 -0.01 0.33 0.95 -0.10 0.00 0.00 175.22 176.40 2ooq s THR 1052N -3.09 5.21 -0.04 0.64 -4.23 -0.12 -1.29 115.64 112.73 2ooq s THR 1052Ca 0.11 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2ooq s THR 1052Cb 0.01 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.26 2ooq s THR 1052CO -0.01 0.20 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.54 2ooq s VAL 1053N -1.48 0.43 -0.12 2.29 1.01 0.15 -1.79 120.40 120.88 2ooq s VAL 1053Ca 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2ooq s VAL 1053Cb -0.13 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2ooq s VAL 1053CO 0.21 0.19 0.29 -1.58 0.00 0.00 0.00 175.10 174.22 2ooq s GLN 1054N 0.83 0.30 -0.23 2.72 0.74 -0.64 -0.86 119.66 122.52 2ooq s GLN 1054Ca -0.10 0.52 -0.24 0.00 0.05 0.00 0.00 55.36 55.58 2ooq s GLN 1054Cb -0.13 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 33.99 2ooq s GLN 1054CO -0.00 -0.11 0.82 0.21 -0.55 0.00 0.00 175.29 175.66 2ooq s LYS 1055N 0.80 4.20 0.42 1.67 2.20 -1.26 -0.26 119.74 127.52 2ooq s LYS 1055Ca -0.05 0.94 -0.26 0.00 -0.36 0.00 0.00 55.97 56.23 2ooq s LYS 1055Cb -0.06 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 2ooq s LYS 1055CO -0.05 -0.47 1.42 0.15 -0.36 0.00 0.00 175.35 176.03 2ooq s LYS 1056N 2.67 3.89 0.00 4.03 1.02 -0.14 -1.80 119.74 129.40 2ooq s LYS 1056Ca 0.35 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.75 2ooq s LYS 1056Cb -0.16 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2ooq s LYS 1056CO 0.08 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 2ooq n GLY 1057N 0.57 1.50 3.43 -3.33 0.00 -1.26 -5.02 105.19 101.08 2ooq n GLY 1057Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2ooq n GLY 1057CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ooq s TYR 1058N -2.93 1.99 -1.28 1.61 2.02 -0.75 -5.08 117.35 112.92 2ooq s TYR 1058Ca 0.00 -0.63 0.22 0.00 -0.37 0.00 0.00 57.07 56.29 2ooq s TYR 1058Cb 0.00 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 2ooq s TYR 1058CO 0.00 0.36 1.03 0.72 -1.57 0.00 0.00 175.55 176.09 2ooq n HIS 1059N -0.58 0.00 -2.71 2.71 8.25 -1.26 -4.72 115.22 116.91 2ooq n HIS 1059Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2ooq n HIS 1059Cb 0.63 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 2ooq n HIS 1059CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2ooq s GLU 1060N -2.85 4.58 -0.18 -0.41 2.12 -1.26 -5.03 118.70 115.67 2ooq s GLU 1060Ca 0.12 1.43 0.01 0.00 0.36 0.00 0.00 54.97 56.88 2ooq s GLU 1060Cb 0.17 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 31.13 2ooq s GLU 1060CO 0.76 -0.01 -0.18 0.42 -0.54 0.00 0.00 175.26 175.71 2ooq s ILE 1061N 0.84 1.97 0.25 -3.70 1.01 -1.26 -4.36 121.20 115.95 2ooq s ILE 1061Ca 0.51 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2ooq s ILE 1061Cb -0.21 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2ooq s ILE 1061CO 0.28 0.50 0.17 -0.13 0.00 0.00 0.00 174.94 175.77 2ooq s ARG 1062N 1.32 2.85 -0.10 2.79 0.52 -0.04 -4.90 118.95 121.39 2ooq s ARG 1062Ca 0.04 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.14 2ooq s ARG 1062Cb -0.13 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2ooq s ARG 1062CO -0.12 0.39 -0.04 -2.00 0.02 0.00 0.00 175.30 173.54 2ooq s GLU 1063N -3.83 3.10 0.01 3.54 2.12 -1.26 -0.68 118.70 121.70 2ooq s GLU 1063Ca 0.33 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2ooq s GLU 1063Cb -0.08 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.57 2ooq s GLU 1063CO 0.24 0.53 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.25 2ooq s LEU 1064N -0.44 2.07 -0.08 2.70 0.20 -0.41 -4.76 118.68 117.96 2ooq s LEU 1064Ca 0.07 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.68 2ooq s LEU 1064Cb -0.12 -0.37 -0.02 0.00 -0.43 0.00 0.00 46.19 45.25 2ooq s LEU 1064CO 0.02 0.04 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.82 2ooq s ARG 1065N -0.51 2.82 -0.38 1.98 0.52 -0.20 -0.46 118.95 122.72 2ooq s ARG 1065Ca 0.01 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.35 2ooq s ARG 1065Cb -0.05 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.05 2ooq s ARG 1065CO 0.00 0.41 0.22 -1.17 0.02 0.00 0.00 175.30 174.79 2ooq s LEU 1066N -0.20 4.82 -0.45 2.53 2.96 0.49 -0.64 118.68 128.19 2ooq s LEU 1066Ca -0.01 -1.03 -0.21 0.00 -0.22 0.00 0.00 54.13 52.67 2ooq s LEU 1066Cb -0.13 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.54 2ooq s LEU 1066CO 0.03 -0.41 0.68 -0.36 -1.32 0.00 0.00 176.35 174.97 2ooq s PHE 1067N 1.56 3.04 -0.33 5.38 0.08 0.10 -1.39 117.98 126.42 2ooq s PHE 1067Ca 0.02 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.98 2ooq s PHE 1067Cb -0.19 -3.45 0.06 0.00 -0.57 0.00 0.00 43.02 38.87 2ooq s PHE 1067CO 0.07 -0.93 0.05 -1.58 -0.10 0.00 0.00 175.22 172.74 2ooq s HIS 1068N 2.92 3.36 -0.15 0.36 2.46 -0.10 -0.65 115.29 123.49 2ooq s HIS 1068Ca 0.23 -2.01 -0.23 0.00 0.47 0.00 0.00 55.06 53.53 2ooq s HIS 1068Cb -0.14 -2.40 -0.03 0.00 -0.13 0.00 0.00 32.58 29.88 2ooq s HIS 1068CO 0.19 -0.84 0.70 0.12 -2.47 0.00 0.00 174.74 172.44 2ooq s PHE 1069N 1.22 3.45 -0.97 3.88 5.36 0.08 -0.80 117.98 130.20 2ooq s PHE 1069Ca -0.01 1.11 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 2ooq s PHE 1069Cb -0.20 -2.85 0.10 0.00 -0.34 0.00 0.00 43.02 39.72 2ooq s PHE 1069CO -0.02 -0.11 0.85 0.25 -1.46 0.00 0.00 175.22 174.74 2ooq n THR 1070N 4.41 0.21 -0.75 0.12 -2.24 0.11 -3.75 114.28 112.39 2ooq n THR 1070Ca 0.00 -0.60 0.07 0.00 -2.27 0.00 0.00 64.05 61.25 2ooq n THR 1070Cb 0.50 1.03 0.17 0.00 -2.10 0.00 0.00 70.33 69.93 2ooq n THR 1070CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ooq n SER 1071N 0.42 2.95 -4.06 3.42 7.64 -1.23 -4.86 113.62 117.90 2ooq n SER 1071Ca 0.06 -2.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.87 2ooq n SER 1071Cb 0.24 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 62.93 2ooq n SER 1071CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2ooq s TRP 1072N -2.30 3.67 0.19 1.43 -0.11 -1.26 -4.59 118.94 115.97 2ooq s TRP 1072Ca 0.30 -2.75 -0.31 0.00 1.22 0.00 0.00 56.10 54.56 2ooq s TRP 1072Cb 0.24 -2.95 -0.09 0.00 -1.50 0.00 0.00 33.47 29.16 2ooq s TRP 1072CO 0.07 -0.95 1.45 -2.14 -4.62 0.00 0.00 176.95 170.76 2ooq s PRO 1073N 1.00 4.28 0.20 5.86 0.02 -1.26 -4.70 135.00 140.40 2ooq s PRO 1073Ca 0.09 2.24 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 2ooq s PRO 1073Cb -0.20 -3.16 -0.17 0.00 0.02 0.00 0.00 34.50 30.99 2ooq s PRO 1073CO -0.06 -0.46 0.68 -3.47 -0.33 0.00 0.00 177.00 173.36 2ooq n ASP 1074N 3.19 -0.55 0.00 2.53 2.03 -1.26 -0.56 116.55 121.92 2ooq n ASP 1074Ca 0.10 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 2ooq n ASP 1074Cb 0.40 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2ooq n ASP 1074CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ooq n HIS 1075N 0.20 0.00 -4.29 -0.67 8.25 -1.26 -4.91 115.22 112.54 2ooq n HIS 1075Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 2ooq n HIS 1075Cb 0.25 -1.78 -0.03 0.00 1.12 0.00 0.00 29.99 29.55 2ooq n HIS 1075CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ooq n GLY 1076N 0.33 3.77 2.99 -1.41 0.00 0.27 -4.96 105.19 106.18 2ooq n GLY 1076Ca 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 2ooq n GLY 1076CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ooq s VAL 1077N -2.12 0.10 0.63 1.61 -7.23 -1.26 -4.77 120.40 107.36 2ooq s VAL 1077Ca 0.06 -0.82 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 2ooq s VAL 1077Cb 0.00 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 2ooq s VAL 1077CO 0.04 -0.45 1.28 -2.65 -0.31 0.00 0.00 175.10 173.01 2ooq n PRO 1078N 1.67 1.19 -0.29 4.82 -0.02 -1.26 -4.83 135.00 136.28 2ooq n PRO 1078Ca -0.23 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 2ooq n PRO 1078Cb 0.55 -2.51 0.21 0.00 -0.02 0.00 0.00 33.50 31.74 2ooq n PRO 1078CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ooq s TYR 1080N -5.93 1.35 -0.56 0.00 2.02 -1.26 -5.04 117.35 107.93 2ooq s TYR 1080Ca -0.12 -0.54 0.24 0.00 -0.37 0.00 0.00 57.07 56.29 2ooq s TYR 1080Cb 0.19 -0.72 0.52 0.00 -0.40 0.00 0.00 41.96 41.55 2ooq s TYR 1080CO 0.80 0.12 1.63 0.00 -1.57 0.00 0.00 175.55 176.53 2ooq h ALA 1081N 3.70 0.95 -0.33 3.71 0.00 -1.94 -3.40 119.26 121.95 2ooq h ALA 1081Ca -0.40 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2ooq h ALA 1081Cb 1.19 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2ooq h ALA 1081CO 0.48 0.00 -0.00 1.15 0.00 0.00 0.00 179.25 180.88 2ooq h THR 1082N 0.00 0.75 -0.46 0.00 2.02 -1.96 -0.53 112.91 112.73 2ooq h THR 1082Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2ooq h THR 1082Cb 0.88 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2ooq h THR 1082CO 0.00 0.02 0.15 1.23 0.37 0.00 0.00 175.52 177.29 2ooq h GLY 1083N 0.09 0.76 1.22 2.16 0.00 -2.01 -2.14 103.07 103.15 2ooq h GLY 1083Ca 0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2ooq h GLY 1083CO -0.27 0.41 0.39 -2.00 0.00 0.00 0.00 176.54 175.08 2ooq h LEU 1084N 0.60 0.91 -0.88 3.11 5.85 -1.70 -1.48 115.31 121.72 2ooq h LEU 1084Ca 0.15 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2ooq h LEU 1084Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2ooq h LEU 1084CO -0.01 0.74 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.65 2ooq h LEU 1085N 1.02 0.69 -0.75 2.25 3.38 -0.77 -0.04 115.31 121.10 2ooq h LEU 1085Ca 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ooq h LEU 1085Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2ooq h LEU 1085CO -0.04 0.83 0.42 1.23 0.09 0.00 0.00 178.44 180.97 2ooq h GLY 1086N 0.97 1.10 0.94 0.83 0.00 -0.77 -0.57 103.07 105.58 2ooq h GLY 1086Ca 0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2ooq h GLY 1086CO 0.04 0.47 0.13 -2.75 0.00 0.00 0.00 176.54 174.42 2ooq h PHE 1087N 1.03 0.33 -0.58 5.60 3.57 -0.83 -0.73 116.94 125.32 2ooq h PHE 1087Ca 0.26 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2ooq h PHE 1087Cb 0.01 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2ooq h PHE 1087CO -0.00 0.29 0.32 0.28 -2.23 0.00 0.00 178.31 176.97 2ooq h VAL 1088N 0.27 0.98 -0.77 1.41 2.07 -0.82 -2.32 116.25 117.07 2ooq h VAL 1088Ca 0.08 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2ooq h VAL 1088Cb 0.08 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2ooq h VAL 1088CO -0.01 0.11 0.46 -0.09 0.02 0.00 0.00 177.57 178.06 2ooq h ARG 1089N 0.61 0.84 -0.60 1.57 2.43 -0.63 -1.20 114.38 117.40 2ooq h ARG 1089Ca 0.26 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2ooq h ARG 1089Cb 0.13 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2ooq h ARG 1089CO -0.16 0.55 0.39 1.96 -1.51 0.00 0.00 179.97 181.21 2ooq h GLN 1090N 0.86 0.79 -0.43 0.20 1.08 -0.63 -0.66 115.11 116.33 2ooq h GLN 1090Ca 0.33 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2ooq h GLN 1090Cb 0.13 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2ooq h GLN 1090CO -0.16 0.53 0.15 0.28 -0.95 0.00 0.00 178.83 178.68 2ooq h VAL 1091N 0.81 1.22 -0.70 -0.54 2.07 -1.03 0.12 116.25 118.20 2ooq h VAL 1091Ca 0.22 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2ooq h VAL 1091Cb -0.09 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2ooq h VAL 1091CO -0.05 0.25 0.21 0.11 0.02 0.00 0.00 177.57 178.12 2ooq h LYS 1092N 0.56 1.09 -0.38 1.57 1.57 -1.06 -0.36 116.57 119.55 2ooq h LYS 1092Ca 0.14 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2ooq h LYS 1092Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2ooq h LYS 1092CO -0.01 0.94 -0.13 0.35 -0.57 0.00 0.00 179.45 180.04 2ooq h PHE 1093N 1.03 0.87 0.00 -1.35 3.57 -0.85 -3.37 116.94 116.83 2ooq h PHE 1093Ca 0.22 -0.20 -0.22 0.00 3.53 0.00 0.00 57.97 61.31 2ooq h PHE 1093Cb 0.31 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2ooq h PHE 1093CO 0.02 0.92 -2.03 1.28 -2.23 0.00 0.00 178.31 176.28 2ooq n LEU 1094N -4.32 0.24 -4.68 0.59 4.77 0.39 -4.91 117.00 109.07 2ooq n LEU 1094Ca -0.02 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2ooq n LEU 1094Cb 0.38 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2ooq n LEU 1094CO 0.43 0.28 1.44 0.21 -1.33 0.00 0.00 177.39 178.42 2ooq s ASN 1095N -5.32 6.50 -0.14 -1.43 2.47 -0.16 -4.92 114.94 111.94 2ooq s ASN 1095Ca -0.08 2.63 -0.29 0.00 0.42 0.00 0.00 52.86 55.54 2ooq s ASN 1095Cb 0.09 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.31 2ooq s ASN 1095CO 0.85 -0.97 1.27 -2.84 -3.72 0.00 0.00 177.10 171.69 2ooq s PRO 1096N 3.07 4.25 0.45 0.43 0.02 -1.26 -4.88 135.00 137.07 2ooq s PRO 1096Ca 0.79 1.69 0.31 0.00 0.02 0.00 0.00 61.00 63.81 2ooq s PRO 1096Cb -0.43 -3.74 1.37 0.00 0.02 0.00 0.00 34.50 31.73 2ooq s PRO 1096CO 0.35 -0.67 1.92 -1.00 -0.33 0.00 0.00 177.00 177.27 2ooq h PRO 1097N 8.15 0.00 0.00 5.54 0.13 -1.96 -1.04 132.00 142.81 2ooq h PRO 1097Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ooq h PRO 1097Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2ooq h PRO 1097CO 0.96 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.66 2ooq h GLU 1098N 0.00 0.00 -7.51 0.86 5.08 -2.01 -3.46 114.58 107.54 2ooq h GLU 1098Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 2ooq h GLU 1098Cb 0.33 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.75 2ooq h GLU 1098CO 0.00 0.00 0.24 0.00 -1.00 0.00 0.00 179.01 178.25 2ooq s ALA 1099N -3.25 1.24 1.00 3.43 0.00 -0.40 -5.08 121.76 118.70 2ooq s ALA 1099Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2ooq s ALA 1099Cb 0.10 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2ooq s ALA 1099CO 0.53 -2.99 0.00 0.41 0.00 0.00 0.00 175.76 173.71 2ooq n GLY 1100N -1.85 -1.54 3.75 0.00 0.00 0.34 -4.98 105.19 100.91 2ooq n GLY 1100Ca 0.11 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2ooq n GLY 1100CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ooq n PRO 1101N -1.09 2.12 -2.17 1.61 -0.02 -1.26 -4.55 135.00 129.64 2ooq n PRO 1101Ca 0.00 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2ooq n PRO 1101Cb 0.00 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 2ooq n PRO 1101CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ooq s ILE 1102N -1.21 3.72 -0.23 4.25 1.01 -0.71 -4.49 121.20 123.54 2ooq s ILE 1102Ca 0.63 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 62.05 2ooq s ILE 1102Cb -0.45 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2ooq s ILE 1102CO 0.56 -0.04 0.76 -0.69 0.00 0.00 0.00 174.94 175.53 2ooq s VAL 1103N 3.10 4.90 -0.11 2.92 1.01 -0.46 -0.73 120.40 131.02 2ooq s VAL 1103Ca 0.66 1.44 0.02 0.00 0.00 0.00 0.00 61.98 64.10 2ooq s VAL 1103Cb -0.31 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2ooq s VAL 1103CO 0.26 -0.01 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 2ooq s VAL 1104N 2.53 2.67 0.05 2.92 1.01 0.12 0.24 120.40 129.94 2ooq s VAL 1104Ca 0.33 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2ooq s VAL 1104Cb -0.16 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2ooq s VAL 1104CO 0.09 0.54 0.23 -1.38 0.00 0.00 0.00 175.10 174.58 2ooq s HIS 1105N 0.26 0.01 0.00 5.22 -3.43 -0.24 -1.07 115.29 116.04 2ooq s HIS 1105Ca -0.12 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 2ooq s HIS 1105Cb -0.16 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.00 2ooq s HIS 1105CO 0.06 -0.47 0.00 0.00 -2.00 0.00 0.00 174.74 172.33 2ooq n SER 1107N 0.00 0.72 0.17 0.00 2.88 -1.26 -2.30 113.62 113.82 2ooq n SER 1107Ca 0.00 0.28 0.12 0.00 -1.33 0.00 0.00 58.87 57.94 2ooq n SER 1107Cb 0.00 -0.62 0.10 0.00 -0.75 0.00 0.00 64.21 62.94 2ooq n SER 1107CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ooq h ALA 1108N -1.62 0.80 -0.49 -1.46 0.00 -1.89 0.57 119.26 115.18 2ooq h ALA 1108Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ooq h ALA 1108Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ooq h ALA 1108CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2ooq n GLY 1109N 1.14 0.72 1.31 0.00 0.00 -1.25 -4.10 105.19 103.01 2ooq n GLY 1109Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2ooq n GLY 1109CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ooq n ALA 1110N -1.70 3.00 -0.21 4.61 0.00 -1.26 -4.60 120.51 120.35 2ooq n ALA 1110Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ooq n ALA 1110Cb 0.47 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2ooq n ALA 1110CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ooq n GLY 1111N 2.94 -1.23 0.29 0.00 0.00 -1.26 -0.47 105.19 105.46 2ooq n GLY 1111Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ooq n GLY 1111CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ooq h ARG 1112N 0.00 1.00 -0.03 1.61 3.08 -1.94 -0.69 114.38 117.42 2ooq h ARG 1112Ca 0.00 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.74 2ooq h ARG 1112Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 2ooq h ARG 1112CO 0.00 1.03 -0.31 1.15 -1.07 0.00 0.00 179.97 180.77 2ooq h THR 1113N 0.88 0.32 -0.99 2.04 2.02 -1.86 -1.25 112.91 114.07 2ooq h THR 1113Ca 0.15 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.42 2ooq h THR 1113Cb 0.61 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2ooq h THR 1113CO 0.04 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.79 2ooq h GLY 1114N -0.44 1.53 0.94 2.16 0.00 -0.56 -1.78 103.07 104.92 2ooq h GLY 1114Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2ooq h GLY 1114CO -0.27 0.26 0.15 0.00 0.00 0.00 0.00 176.54 176.68 2ooq h PHE 1116N 0.39 0.66 -0.45 0.00 3.57 -0.82 -1.41 116.94 118.88 2ooq h PHE 1116Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2ooq h PHE 1116Cb 0.13 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2ooq h PHE 1116CO -0.02 0.39 -0.00 0.82 -2.23 0.00 0.00 178.31 177.28 2ooq h ILE 1117N 0.70 1.26 -0.21 1.41 2.04 -1.15 -0.38 117.51 121.19 2ooq h ILE 1117Ca 0.21 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2ooq h ILE 1117Cb -0.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2ooq h ILE 1117CO -0.07 0.36 0.13 0.00 0.00 0.00 0.00 178.15 178.57 2ooq h ALA 1118N 0.91 0.26 0.16 1.87 0.00 -0.68 -0.60 119.26 121.18 2ooq h ALA 1118Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ooq h ALA 1118Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ooq h ALA 1118CO 0.02 -0.27 -0.08 0.82 0.00 0.00 0.00 179.25 179.74 2ooq h ILE 1119N 0.27 0.88 -0.50 0.00 2.04 -1.16 -0.78 117.51 118.26 2ooq h ILE 1119Ca 0.08 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2ooq h ILE 1119Cb -0.02 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2ooq h ILE 1119CO -0.02 0.04 0.18 -0.78 0.00 0.00 0.00 178.15 177.57 2ooq h ASP 1120N -0.30 0.19 -0.55 1.72 3.58 -0.95 -0.70 116.42 119.41 2ooq h ASP 1120Ca -0.02 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 2ooq h ASP 1120Cb 0.24 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2ooq h ASP 1120CO 0.04 0.14 -0.03 0.74 -2.88 0.00 0.00 179.24 177.25 2ooq h THR 1121N 0.36 1.26 -0.02 2.25 2.02 -1.00 -2.94 112.91 114.85 2ooq h THR 1121Ca 0.24 -1.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.08 2ooq h THR 1121Cb 0.24 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2ooq h THR 1121CO -0.24 0.42 -0.77 0.24 0.37 0.00 0.00 175.52 175.54 2ooq h MET 1122N 0.92 0.16 -0.76 6.66 2.86 -0.59 -1.11 114.93 123.07 2ooq h MET 1122Ca 0.16 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2ooq h MET 1122Cb 0.57 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 2ooq h MET 1122CO 0.03 0.85 0.31 -0.07 1.06 0.00 0.00 176.91 179.09 2ooq h LEU 1123N 0.10 1.04 0.04 1.22 3.38 -1.15 0.24 115.31 120.19 2ooq h LEU 1123Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ooq h LEU 1123Cb 1.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2ooq h LEU 1123CO 0.11 0.92 -0.02 0.44 0.09 0.00 0.00 178.44 179.98 2ooq h ASP 1124N 1.10 -0.05 -0.36 -0.43 3.32 -1.28 -0.73 116.42 117.99 2ooq h ASP 1124Ca 0.25 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2ooq h ASP 1124Cb 0.20 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 2ooq h ASP 1124CO -0.02 0.02 0.08 -0.03 -1.72 0.00 0.00 179.24 177.57 2ooq h MET 1125N -0.12 0.19 -0.26 3.56 4.05 -0.96 -1.86 114.93 119.54 2ooq h MET 1125Ca -0.01 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2ooq h MET 1125Cb 0.10 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 2ooq h MET 1125CO 0.01 0.13 0.04 0.00 0.23 0.00 0.00 176.91 177.31 2ooq h ALA 1126N 1.27 0.25 -0.80 0.39 0.00 -0.43 0.21 119.26 120.15 2ooq h ALA 1126Ca 0.17 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2ooq h ALA 1126Cb 0.20 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2ooq h ALA 1126CO -0.22 -0.38 0.52 1.49 0.00 0.00 0.00 179.25 180.66 2ooq h GLU 1127N 0.13 0.95 0.12 0.00 4.81 -0.75 -1.01 114.58 118.83 2ooq h GLU 1127Ca 0.12 -0.06 -0.36 0.00 -0.13 0.00 0.00 59.36 58.93 2ooq h GLU 1127Cb 0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2ooq h GLU 1127CO -0.17 0.63 -1.96 -0.91 -0.73 0.00 0.00 179.01 175.87 2ooq h ASN 1128N 0.98 0.41 0.00 1.04 -0.26 -1.07 -3.41 115.58 113.26 2ooq h ASN 1128Ca 0.32 -0.90 0.00 0.00 -0.56 0.00 0.00 56.30 55.16 2ooq h ASN 1128Cb 0.05 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2ooq h ASN 1128CO -0.09 1.80 -0.81 -0.62 -1.06 0.00 0.00 177.43 176.65 2ooq n GLU 1129N -3.47 2.50 -1.24 0.81 1.02 0.70 -4.98 120.64 115.98 2ooq n GLU 1129Ca -0.30 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 56.72 2ooq n GLU 1129Cb 1.05 -1.09 -0.04 0.00 -0.02 0.00 0.00 31.44 31.35 2ooq n GLU 1129CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ooq n GLY 1130N 1.44 0.94 3.14 0.62 0.00 -0.39 -4.98 105.19 105.96 2ooq n GLY 1130Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2ooq n GLY 1130CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ooq s VAL 1131N -2.07 0.55 0.03 1.61 -7.23 -1.26 -1.46 120.40 110.57 2ooq s VAL 1131Ca 0.00 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2ooq s VAL 1131Cb 0.00 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2ooq s VAL 1131CO 0.00 -0.86 -0.10 0.68 -0.31 0.00 0.00 175.10 174.51 2ooq s VAL 1132N -3.49 0.74 -0.50 1.32 -7.23 -0.28 -3.15 120.40 107.82 2ooq s VAL 1132Ca 0.08 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 2ooq s VAL 1132Cb 0.05 -0.72 0.16 0.00 0.56 0.00 0.00 36.38 36.42 2ooq s VAL 1132CO -0.06 -0.15 0.34 -0.62 -0.31 0.00 0.00 175.10 174.30 2ooq s ASP 1133N -1.18 3.18 0.17 4.85 -1.08 -1.26 -0.43 116.67 120.93 2ooq s ASP 1133Ca -0.03 -3.09 -0.02 0.00 -0.52 0.00 0.00 52.55 48.88 2ooq s ASP 1133Cb -0.08 -0.96 0.04 0.00 -1.46 0.00 0.00 42.92 40.46 2ooq s ASP 1133CO 0.01 -0.19 1.42 0.40 0.52 0.00 0.00 175.17 177.33 2ooq h ILE 1134N 4.79 1.37 -0.14 4.11 2.04 -1.98 -1.48 117.51 126.23 2ooq h ILE 1134Ca 0.13 -2.13 -0.00 0.00 1.00 0.00 0.00 64.86 63.86 2ooq h ILE 1134Cb 0.88 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2ooq h ILE 1134CO 0.50 0.64 0.08 0.15 0.00 0.00 0.00 178.15 179.52 2ooq h PHE 1135N 0.30 0.18 0.00 1.37 3.57 -1.95 -1.34 116.94 119.07 2ooq h PHE 1135Ca -0.03 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2ooq h PHE 1135Cb 1.31 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2ooq h PHE 1135CO 0.05 0.17 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.06 2ooq h ASN 1136N 0.15 0.00 0.14 0.41 4.21 -1.96 -0.51 115.58 118.01 2ooq h ASN 1136Ca 0.05 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 2ooq h ASN 1136Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2ooq h ASN 1136CO -0.01 0.32 -0.07 0.00 -1.29 0.00 0.00 177.43 176.38 2ooq h VAL 1138N -0.22 1.32 -0.24 0.00 2.07 -1.10 0.15 116.25 118.22 2ooq h VAL 1138Ca -0.02 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 65.71 2ooq h VAL 1138Cb 0.17 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 2ooq h VAL 1138CO 0.03 0.58 -0.22 0.03 0.02 0.00 0.00 177.57 178.01 2ooq h ARG 1139N 0.46 -0.21 -0.70 1.57 3.08 -1.06 -0.69 114.38 116.82 2ooq h ARG 1139Ca -0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2ooq h ARG 1139Cb 1.17 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2ooq h ARG 1139CO 0.12 -0.14 0.28 0.93 -1.07 0.00 0.00 179.97 180.08 2ooq h GLU 1140N -0.22 1.04 -0.37 0.04 5.08 -0.08 -2.19 114.58 117.87 2ooq h GLU 1140Ca 0.14 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2ooq h GLU 1140Cb 0.43 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2ooq h GLU 1140CO -0.37 0.84 0.07 -0.07 -1.00 0.00 0.00 179.01 178.48 2ooq h LEU 1141N 1.01 0.01 -1.72 1.33 3.38 -0.48 -2.47 115.31 116.37 2ooq h LEU 1141Ca 0.24 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2ooq h LEU 1141Cb 0.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ooq h LEU 1141CO -0.02 0.04 -0.17 0.03 0.09 0.00 0.00 178.44 178.41 2ooq h ARG 1142N 0.20 0.00 0.00 1.13 3.08 -0.68 -1.70 114.38 116.40 2ooq h ARG 1142Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2ooq h ARG 1142Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2ooq h ARG 1142CO -0.23 0.17 -0.29 0.00 -1.07 0.00 0.00 179.97 178.55 2ooq h ALA 1143N 1.83 1.38 0.00 0.04 0.00 -0.93 -3.17 119.26 118.41 2ooq h ALA 1143Ca -0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 2ooq h ALA 1143Cb 0.41 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2ooq h ALA 1143CO 0.02 0.36 -1.84 1.04 0.00 0.00 0.00 179.25 178.83 2ooq n GLN 1144N -3.98 0.65 -3.66 0.00 6.02 -0.72 -4.91 117.38 110.78 2ooq n GLN 1144Ca -0.02 0.16 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 2ooq n GLN 1144Cb 0.35 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 2ooq n GLN 1144CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2ooq s ARG 1145N -2.71 0.65 0.31 -1.09 3.52 -0.74 -4.67 118.95 114.21 2ooq s ARG 1145Ca -0.06 1.07 -0.29 0.00 -0.13 0.00 0.00 55.73 56.31 2ooq s ARG 1145Cb 0.08 0.15 -0.12 0.00 -1.56 0.00 0.00 34.95 33.50 2ooq s ARG 1145CO 0.83 -0.14 1.44 1.55 -0.81 0.00 0.00 175.30 178.17 2ooq n VAL 1146N 3.97 1.45 -1.53 7.11 3.14 -1.25 -3.47 118.33 127.75 2ooq n VAL 1146Ca -0.19 -0.36 -0.18 0.00 -2.96 0.00 0.00 64.34 60.64 2ooq n VAL 1146Cb 0.57 -1.73 -0.08 0.00 -1.06 0.00 0.00 33.84 31.54 2ooq n VAL 1146CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2ooq n ASN 1147N 1.47 -4.86 -4.71 6.55 3.02 -1.26 -4.83 115.26 110.63 2ooq n ASN 1147Ca 0.07 0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 54.64 2ooq n ASN 1147Cb 0.36 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.17 2ooq n ASN 1147CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ooq n LEU 1148N -2.19 3.85 -2.25 3.41 4.77 -1.23 -3.28 117.00 120.09 2ooq n LEU 1148Ca -0.18 1.09 -0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2ooq n LEU 1148Cb 0.60 -1.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2ooq n LEU 1148CO 0.28 0.03 -0.31 0.52 -1.33 0.00 0.00 177.39 176.58 2ooq n VAL 1149N 3.24 -8.25 0.76 4.08 0.31 -0.59 -4.69 118.33 113.19 2ooq n VAL 1149Ca 0.14 1.17 0.11 0.00 -0.01 0.00 0.00 64.34 65.75 2ooq n VAL 1149Cb 0.34 -5.80 -0.02 0.00 -0.91 0.00 0.00 33.84 27.44 2ooq n VAL 1149CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ooq n GLN 1150N 0.46 0.16 -4.17 5.55 -0.06 -1.21 -4.90 117.38 113.21 2ooq n GLN 1150Ca -0.01 -0.02 -0.12 0.00 -2.00 0.00 0.00 57.00 54.85 2ooq n GLN 1150Cb 0.01 -1.53 -0.10 0.00 -4.06 0.00 0.00 30.24 24.56 2ooq n GLN 1150CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2ooq s THR 1151N -3.12 0.77 0.20 1.69 -4.23 -1.26 -5.05 115.64 104.64 2ooq s THR 1151Ca 0.05 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 2ooq s THR 1151Cb 0.16 -1.59 0.12 0.00 1.34 0.00 0.00 72.50 72.52 2ooq s THR 1151CO 0.83 -0.79 1.83 -0.08 -0.54 0.00 0.00 174.62 175.86 2ooq h GLU 1152N 3.12 0.70 -0.43 3.99 4.81 -1.97 -1.26 114.58 123.55 2ooq h GLU 1152Ca -0.36 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2ooq h GLU 1152Cb 1.17 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2ooq h GLU 1152CO 0.62 0.47 0.21 1.49 -0.73 0.00 0.00 179.01 181.06 2ooq h GLU 1153N 0.73 0.41 -0.60 1.92 4.81 -1.96 0.04 114.58 119.92 2ooq h GLU 1153Ca 0.26 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 2ooq h GLU 1153Cb 0.06 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2ooq h GLU 1153CO -0.12 0.27 0.28 1.96 -0.73 0.00 0.00 179.01 180.68 2ooq h GLN 1154N 0.43 0.51 -0.45 1.92 4.20 -1.79 0.96 115.11 120.88 2ooq h GLN 1154Ca 0.18 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2ooq h GLN 1154Cb 0.09 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2ooq h GLN 1154CO -0.13 0.34 0.25 -0.92 -0.67 0.00 0.00 178.83 177.69 2ooq h TYR 1155N 0.52 0.46 -0.48 2.96 3.20 -0.37 0.88 116.97 124.13 2ooq h TYR 1155Ca 0.28 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 2ooq h TYR 1155Cb 0.26 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2ooq h TYR 1155CO -0.12 0.25 0.22 0.28 -1.64 0.00 0.00 178.16 177.14 2ooq h VAL 1156N 0.49 1.20 -0.81 1.81 2.07 -0.58 -2.74 116.25 117.68 2ooq h VAL 1156Ca 0.19 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2ooq h VAL 1156Cb 0.06 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2ooq h VAL 1156CO -0.11 0.22 0.50 0.15 0.02 0.00 0.00 177.57 178.35 2ooq h PHE 1157N 0.64 0.92 -0.63 1.57 3.57 -0.20 -0.50 116.94 122.29 2ooq h PHE 1157Ca 0.16 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.77 2ooq h PHE 1157Cb 0.15 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 2ooq h PHE 1157CO -0.00 0.46 0.31 0.28 -2.23 0.00 0.00 178.31 177.12 2ooq h VAL 1158N 0.91 0.88 0.07 1.41 2.07 -0.57 0.54 116.25 121.55 2ooq h VAL 1158Ca 0.36 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2ooq h VAL 1158Cb 0.17 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2ooq h VAL 1158CO -0.17 0.10 -0.03 0.45 0.02 0.00 0.00 177.57 177.93 2ooq h HIS 1159N 0.55 -0.09 -1.00 1.57 3.86 -0.91 -1.80 115.15 117.33 2ooq h HIS 1159Ca 0.30 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 2ooq h HIS 1159Cb 0.28 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 2ooq h HIS 1159CO -0.11 -0.03 0.65 -0.44 0.86 0.00 0.00 177.93 178.86 2ooq h ASP 1160N -0.12 1.08 -0.37 2.45 3.32 -0.69 -0.78 116.42 121.31 2ooq h ASP 1160Ca -0.01 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2ooq h ASP 1160Cb 0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2ooq h ASP 1160CO 0.02 0.72 -0.26 0.00 -1.72 0.00 0.00 179.24 178.00 2ooq h ALA 1161N 1.43 0.53 -0.57 3.45 0.00 -0.78 -1.67 119.26 121.65 2ooq h ALA 1161Ca 0.41 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ooq h ALA 1161Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ooq h ALA 1161CO -0.14 0.53 0.07 0.82 0.00 0.00 0.00 179.25 180.54 2ooq h ILE 1162N 0.63 1.26 -0.08 0.00 2.04 -0.87 -2.11 117.51 118.37 2ooq h ILE 1162Ca 0.07 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2ooq h ILE 1162Cb 0.83 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2ooq h ILE 1162CO 0.07 0.37 0.04 0.25 0.00 0.00 0.00 178.15 178.88 2ooq h LEU 1163N 0.86 0.07 -0.42 1.44 5.85 -1.03 -0.63 115.31 121.44 2ooq h LEU 1163Ca 0.17 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2ooq h LEU 1163Cb 0.45 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2ooq h LEU 1163CO 0.02 0.05 0.20 -0.08 -0.34 0.00 0.00 178.44 178.29 2ooq h GLU 1164N 0.09 0.40 -0.85 1.25 4.81 -1.14 0.80 114.58 119.95 2ooq h GLU 1164Ca 0.03 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2ooq h GLU 1164Cb 0.00 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 2ooq h GLU 1164CO -0.02 0.27 0.54 0.00 -0.73 0.00 0.00 179.01 179.07 2ooq h ALA 1165N 1.23 1.12 -0.29 2.92 0.00 -1.13 -1.39 119.26 121.72 2ooq h ALA 1165Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2ooq h ALA 1165Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ooq h ALA 1165CO -0.13 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.16 2ooq h LEU 1167N 0.53 0.88 -0.63 0.00 3.38 -0.55 -3.51 115.31 115.41 2ooq h LEU 1167Ca 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ooq h LEU 1167Cb 0.81 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2ooq h LEU 1167CO 0.07 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.40