#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ooq n MET 889 N 0.00 0.07 -1.93 4.33 0.00 -1.26 -4.86 117.12 113.47 2ooq n MET 889 Ca 0.00 0.16 -0.36 0.00 0.00 0.00 0.00 57.70 57.50 2ooq n MET 889 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 31.76 2ooq n MET 889 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ooq s ALA 890 N -2.89 2.49 -0.18 3.04 0.00 -1.26 -4.89 121.76 118.07 2ooq s ALA 890 Ca 0.11 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 2ooq s ALA 890 Cb 0.13 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2ooq s ALA 890 CO 0.33 -1.28 -0.04 0.42 0.00 0.00 0.00 175.76 175.20 2ooq s ILE 891 N -1.58 3.71 0.35 0.00 -1.09 0.51 -4.93 121.20 118.16 2ooq s ILE 891 Ca 0.78 -0.41 -0.28 0.00 -2.23 0.00 0.00 60.65 58.51 2ooq s ILE 891 Cb -0.32 -2.65 -0.12 0.00 -1.58 0.00 0.00 42.46 37.80 2ooq s ILE 891 CO 0.35 0.46 1.45 0.54 -1.23 0.00 0.00 174.94 176.51 2ooq n ARG 892 N 4.06 2.52 -0.35 2.79 1.74 -1.26 -0.95 116.66 125.21 2ooq n ARG 892 Ca -0.18 0.88 0.06 0.00 -0.77 0.00 0.00 57.85 57.85 2ooq n ARG 892 Cb 0.52 -2.58 0.23 0.00 -1.02 0.00 0.00 32.46 29.60 2ooq n ARG 892 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2ooq h VAL 893 N 2.92 0.92 -0.17 1.55 2.07 -1.59 0.22 116.25 122.17 2ooq h VAL 893 Ca -0.49 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2ooq h VAL 893 Cb 1.25 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ooq h VAL 893 CO 0.66 0.18 0.15 0.00 0.02 0.00 0.00 177.57 178.58 2ooq h ALA 894 N 1.52 1.93 -0.03 1.67 0.00 -1.90 -2.46 119.26 120.00 2ooq h ALA 894 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2ooq h ALA 894 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ooq h ALA 894 CO -0.26 -0.24 -0.04 -0.25 0.00 0.00 0.00 179.25 178.47 2ooq n ASP 895 N -4.09 2.70 -0.16 0.00 8.00 0.70 -4.62 116.55 119.08 2ooq n ASP 895 Ca 0.01 -1.88 -0.08 0.00 0.71 0.00 0.00 54.79 53.55 2ooq n ASP 895 Cb 0.28 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 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 4.18 0.59 -0.14 0.64 5.85 -0.88 -0.45 115.31 125.11 2ooq h LEU 896 Ca 0.00 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2ooq h LEU 896 Cb 0.91 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2ooq h LEU 896 CO 0.00 0.53 0.04 0.25 -0.34 0.00 0.00 178.44 178.93 2ooq h LEU 897 N 0.61 0.05 -0.71 2.25 5.85 -1.82 -0.01 115.31 121.53 2ooq h LEU 897 Ca 0.16 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2ooq h LEU 897 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2ooq h LEU 897 CO -0.02 0.05 0.24 -0.61 -0.34 0.00 0.00 178.44 177.75 2ooq h GLN 898 N 0.11 1.09 -0.21 1.25 5.75 -1.83 0.06 115.11 121.34 2ooq h GLN 898 Ca 0.06 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2ooq h GLN 898 Cb 0.03 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 2ooq h GLN 898 CO -0.06 0.93 -0.04 1.25 -2.65 0.00 0.00 178.83 178.25 2ooq h HIS 899 N 1.04 -0.10 -0.43 3.99 -0.00 -0.81 -1.28 115.15 117.56 2ooq h HIS 899 Ca 0.23 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2ooq h HIS 899 Cb 0.28 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 2ooq h HIS 899 CO 0.02 -0.08 0.16 0.82 -0.00 0.00 0.00 177.93 178.85 2ooq h ILE 900 N 0.01 1.21 -0.21 6.26 2.04 -0.58 -2.05 117.51 124.19 2ooq h ILE 900 Ca 0.10 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2ooq h ILE 900 Cb 0.15 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2ooq h ILE 900 CO -0.21 0.24 -0.29 0.74 0.00 0.00 0.00 178.15 178.64 2ooq h THR 901 N 0.54 0.32 -0.92 -0.27 2.02 -0.84 -1.38 112.91 112.39 2ooq h THR 901 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2ooq h THR 901 Cb 0.22 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 2ooq h THR 901 CO -0.01 0.00 0.60 1.56 0.37 0.00 0.00 175.52 178.04 2ooq h GLN 902 N -0.32 1.02 0.00 6.66 7.50 -1.00 -1.55 115.11 127.41 2ooq h GLN 902 Ca 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 2ooq h GLN 902 Cb 0.51 -0.23 -0.00 0.00 0.05 0.00 0.00 27.48 27.81 2ooq h GLN 902 CO -0.39 0.67 -0.07 0.52 -1.50 0.00 0.00 178.83 178.07 2ooq h MET 903 N 1.05 0.00 0.00 1.46 2.07 -0.64 -2.95 114.93 115.92 2ooq h MET 903 Ca 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.02 2ooq h MET 903 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 2ooq h MET 903 CO -0.15 0.07 -0.65 0.87 1.07 0.00 0.00 176.91 178.12 2ooq h LYS 904 N 0.00 0.00 -7.18 1.72 1.57 -0.29 -2.25 116.57 110.14 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 0.71 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.19 2ooq h LYS 904 CO 0.01 0.00 0.38 1.03 -0.57 0.00 0.00 179.45 180.30 2ooq s ARG 905 N -3.22 1.91 -1.31 3.15 0.52 -0.92 -0.88 118.95 118.20 2ooq s ARG 905 Ca 0.05 1.80 -0.05 0.00 -0.52 0.00 0.00 55.73 57.01 2ooq s ARG 905 Cb 0.12 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.80 2ooq s ARG 905 CO 0.73 -2.02 1.03 0.41 0.02 0.00 0.00 175.30 175.47 2ooq n GLY 906 N 0.51 -0.44 3.73 -3.53 0.00 -1.26 -2.20 105.19 102.00 2ooq n GLY 906 Ca 0.14 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2ooq n GLY 906 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ooq n GLN 907 N -4.54 -6.48 -1.58 1.61 6.02 -1.21 -2.38 117.38 108.82 2ooq n GLN 907 Ca -0.14 0.71 -0.04 0.00 -0.01 0.00 0.00 57.00 57.52 2ooq n GLN 907 Cb 0.61 -5.63 -0.01 0.00 1.02 0.00 0.00 30.24 26.23 2ooq n GLN 907 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ooq n GLY 908 N -1.75 0.44 0.25 1.08 0.00 -0.06 -4.96 105.19 100.20 2ooq n GLY 908 Ca -0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 2ooq n GLY 908 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ooq h TYR 909 N 0.00 -0.52 -0.78 1.61 3.20 -1.06 -0.21 116.97 119.20 2ooq h TYR 909 Ca -0.08 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2ooq h TYR 909 Cb 0.64 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 2ooq h TYR 909 CO 0.10 -0.28 0.40 0.78 -1.64 0.00 0.00 178.16 177.52 2ooq h GLY 910 N -0.14 1.19 1.04 1.82 0.00 -1.73 -1.09 103.07 104.17 2ooq h GLY 910 Ca 0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2ooq h GLY 910 CO -0.48 0.54 0.04 0.74 0.00 0.00 0.00 176.54 177.38 2ooq h PHE 911 N 1.10 1.05 -0.41 5.60 0.04 -0.92 -1.44 116.94 121.96 2ooq h PHE 911 Ca 0.27 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2ooq h PHE 911 Cb 0.07 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 2ooq h PHE 911 CO 0.01 0.94 0.17 -0.22 -0.60 0.00 0.00 178.31 178.60 2ooq h LYS 912 N 0.86 0.62 -0.30 1.51 1.63 -0.61 0.39 116.57 120.66 2ooq h LYS 912 Ca 0.16 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 2ooq h LYS 912 Cb 0.49 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2ooq h LYS 912 CO 0.02 0.57 0.04 1.49 -3.45 0.00 0.00 179.45 178.12 2ooq h GLU 913 N 0.52 0.51 -0.33 1.90 4.81 -1.14 -1.24 114.58 119.61 2ooq h GLU 913 Ca 0.14 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2ooq h GLU 913 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2ooq h GLU 913 CO -0.01 0.62 0.07 1.49 -0.73 0.00 0.00 179.01 180.45 2ooq h GLU 914 N 0.33 0.53 -0.95 1.92 4.81 -1.13 -2.55 114.58 117.54 2ooq h GLU 914 Ca 0.09 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2ooq h GLU 914 Cb 0.37 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2ooq h GLU 914 CO 0.01 0.60 0.61 -0.92 -0.73 0.00 0.00 179.01 178.58 2ooq h TYR 915 N 0.37 1.14 0.00 0.92 3.20 -0.84 -1.50 116.97 120.27 2ooq h TYR 915 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2ooq h TYR 915 Cb 0.31 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ooq h TYR 915 CO 0.02 0.62 0.00 0.93 -1.64 0.00 0.00 178.16 178.09 2ooq h GLU 916 N 1.15 0.00 0.00 1.82 5.08 -1.05 -2.04 114.58 119.55 2ooq h GLU 916 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2ooq h GLU 916 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ooq h GLU 916 CO -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.86 2ooq n ALA 917 N -1.98 2.21 -1.75 3.43 0.00 -0.57 -4.86 120.51 117.00 2ooq n ALA 917 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 2ooq n ALA 917 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2ooq n ALA 917 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ooq s LEU 918 N -3.99 3.72 -0.12 0.00 1.43 -0.77 -4.97 118.68 113.98 2ooq s LEU 918 Ca 0.11 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 2ooq s LEU 918 Cb 0.14 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2ooq s LEU 918 CO 0.54 -1.18 1.19 -2.16 0.23 0.00 0.00 176.35 174.97 2ooq s PRO 919 N -3.39 4.30 0.04 1.29 0.04 -1.26 -5.00 135.00 131.02 2ooq s PRO 919 Ca 0.71 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2ooq s PRO 919 Cb -0.22 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2ooq s PRO 919 CO 0.28 -0.56 0.09 -2.00 0.04 0.00 0.00 177.00 174.85 2ooq s GLU 920 N 2.81 3.01 2.52 4.56 -6.30 -1.26 -4.75 118.70 119.28 2ooq s GLU 920 Ca 0.53 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 52.42 2ooq s GLU 920 Cb -0.22 -2.81 0.00 0.00 0.00 0.00 0.00 34.13 31.10 2ooq s GLU 920 CO 0.17 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2ooq n GLY 921 N 0.77 -0.44 3.65 -1.50 0.00 -1.26 -4.81 105.19 101.61 2ooq n GLY 921 Ca -0.10 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 4.16 0.00 1.61 0.74 -1.26 -4.60 119.66 120.31 2ooq s GLN 922 Ca 0.00 1.66 0.07 0.00 0.05 0.00 0.00 55.36 57.14 2ooq s GLN 922 Cb 0.00 -3.82 0.04 0.00 1.10 0.00 0.00 33.01 30.34 2ooq s GLN 922 CO 0.00 -0.80 0.67 0.25 -0.55 0.00 0.00 175.29 174.86 2ooq n THR 923 N 5.54 0.00 -3.73 -0.34 -2.24 -1.26 -5.05 114.28 107.20 2ooq n THR 923 Ca 0.15 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 2ooq n THR 923 Cb 0.45 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.74 -0.67 0.56 6.98 0.00 -1.26 -5.13 121.76 121.49 2ooq s ALA 924 Ca 0.08 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 2ooq s ALA 924 Cb 0.06 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2ooq s ALA 924 CO 0.11 -0.63 1.25 -1.54 0.00 0.00 0.00 175.76 174.95 2ooq s SER 925 N -2.84 5.35 -0.31 0.00 1.04 -1.26 -4.90 113.70 110.77 2ooq s SER 925 Ca 0.05 2.49 0.18 0.00 0.48 0.00 0.00 55.95 59.16 2ooq s SER 925 Cb 0.02 -2.61 0.46 0.00 0.10 0.00 0.00 66.02 64.00 2ooq s SER 925 CO -0.10 -1.49 0.98 -2.67 0.98 0.00 0.00 173.24 170.94 2ooq n TRP 926 N -1.26 1.05 -0.13 5.02 2.14 -1.26 -1.00 117.44 122.00 2ooq n TRP 926 Ca 0.12 -2.68 -0.06 0.00 2.07 0.00 0.00 57.50 56.94 2ooq n TRP 926 Cb 0.48 -0.30 0.02 0.00 -0.81 0.00 0.00 31.31 30.70 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 2.92 0.34 -0.36 -0.67 5.19 -1.93 -1.98 116.42 119.92 2ooq h ASP 927 Ca -0.11 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2ooq h ASP 927 Cb 1.19 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 2ooq h ASP 927 CO 0.44 0.24 0.14 0.74 -3.12 0.00 0.00 179.24 177.68 2ooq h THR 928 N 0.45 1.19 -0.15 0.35 2.02 -1.93 -2.69 112.91 112.15 2ooq h THR 928 Ca 0.18 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.80 2ooq h THR 928 Cb 0.07 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2ooq h THR 928 CO -0.11 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.09 2ooq h ALA 929 N 0.98 2.13 -0.01 6.16 0.00 -1.70 -1.07 119.26 125.76 2ooq h ALA 929 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ooq h ALA 929 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ooq h ALA 929 CO -0.01 -0.18 -0.26 1.63 0.00 0.00 0.00 179.25 180.43 2ooq n LYS 930 N -4.48 0.76 -1.70 0.00 5.02 -0.78 -4.63 118.16 112.35 2ooq n LYS 930 Ca 0.01 -0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 55.44 2ooq n LYS 930 Cb 0.23 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 2ooq n LYS 930 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ooq n GLU 931 N -0.74 2.17 -0.33 1.97 -0.58 -0.41 -4.87 120.64 117.86 2ooq n GLU 931 Ca 0.12 0.76 0.13 0.00 -0.42 0.00 0.00 57.16 57.75 2ooq n GLU 931 Cb 0.34 -2.36 0.31 0.00 -0.57 0.00 0.00 31.44 29.16 2ooq n GLU 931 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2ooq h ASP 932 N 2.68 0.58 0.62 1.62 3.32 -1.91 0.38 116.42 123.70 2ooq h ASP 932 Ca -0.46 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2ooq h ASP 932 Cb 1.28 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2ooq h ASP 932 CO 0.63 0.14 0.00 -0.62 -1.72 0.00 0.00 179.24 177.68 2ooq n GLU 933 N -4.90 0.16 -0.06 3.56 4.71 -1.26 -1.97 120.64 120.88 2ooq n GLU 933 Ca 0.23 0.42 0.10 0.00 -0.01 0.00 0.00 57.16 57.89 2ooq n GLU 933 Cb 0.61 -1.82 0.12 0.00 -1.01 0.00 0.00 31.44 29.34 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 -2.12 2.84 -0.32 1.62 3.02 0.11 -4.64 115.26 115.78 2ooq n ASN 934 Ca 0.02 -1.86 -0.04 0.00 -0.03 0.00 0.00 54.58 52.67 2ooq n ASN 934 Cb 0.20 -0.08 0.08 0.00 -0.61 0.00 0.00 39.78 39.38 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 3.85 1.18 0.00 3.52 2.43 -1.30 -0.12 114.38 123.94 2ooq h ARG 935 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2ooq h ARG 935 Cb 0.84 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2ooq h ARG 935 CO 0.00 0.81 0.00 0.09 -1.51 0.00 0.00 179.97 179.36 2ooq n ASN 936 N -4.43 0.00 -0.57 -3.80 3.02 -1.26 -2.56 115.26 105.66 2ooq n ASN 936 Ca 0.09 -1.85 0.08 0.00 -0.03 0.00 0.00 54.58 52.87 2ooq n ASN 936 Cb 0.04 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.55 1.36 -4.50 3.52 5.02 -0.06 -4.79 118.16 118.15 2ooq n LYS 937 Ca 0.02 -1.29 -0.33 0.00 -2.02 0.00 0.00 58.31 54.69 2ooq n LYS 937 Cb 0.01 -1.29 -0.13 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 -1.46 4.54 -0.04 4.39 0.01 -1.06 -4.48 114.94 116.85 2ooq s ASN 938 Ca 0.17 -0.20 -0.24 0.00 -0.71 0.00 0.00 52.86 51.89 2ooq s ASN 938 Cb 0.13 -1.73 -0.23 0.00 0.41 0.00 0.00 41.25 39.83 2ooq s ASN 938 CO 0.24 0.16 1.06 -0.09 -1.51 0.00 0.00 177.10 176.97 2ooq h ARG 939 N 6.75 0.19 -4.53 -0.60 2.43 -1.88 -3.43 114.38 113.31 2ooq h ARG 939 Ca -0.30 -0.19 -0.60 0.00 -0.81 0.00 0.00 59.98 58.09 2ooq h ARG 939 Cb 1.20 0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 30.43 2ooq h ARG 939 CO 0.61 0.90 -0.82 -0.47 -1.51 0.00 0.00 179.97 178.68 2ooq s TYR 940 N -3.25 2.16 -0.79 2.20 5.04 -1.26 -5.04 117.35 116.41 2ooq s TYR 940 Ca -0.16 -1.32 0.16 0.00 -2.44 0.00 0.00 57.07 53.31 2ooq s TYR 940 Cb 0.01 -1.55 0.68 0.00 0.35 0.00 0.00 41.96 41.45 2ooq s TYR 940 CO 0.74 -0.68 1.48 0.41 -1.34 0.00 0.00 175.55 176.16 2ooq n GLY 941 N 4.76 -0.99 0.04 8.97 0.00 -1.26 -1.31 105.19 115.39 2ooq n GLY 941 Ca -0.15 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2ooq n GLY 941 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ooq n ASN 942 N -1.77 0.56 -3.89 1.61 3.02 -1.26 -4.50 115.26 109.03 2ooq n ASN 942 Ca 0.02 0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 2ooq n ASN 942 Cb 0.15 0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 2ooq n ASN 942 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ooq s ILE 943 N -3.09 2.77 0.26 2.41 -1.09 -0.43 -4.94 121.20 117.08 2ooq s ILE 943 Ca 0.09 -4.10 0.03 0.00 -2.23 0.00 0.00 60.65 54.45 2ooq s ILE 943 Cb 0.15 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 2ooq s ILE 943 CO 0.69 -0.99 0.02 0.27 -1.23 0.00 0.00 174.94 173.70 2ooq s ILE 944 N -1.25 1.04 -0.18 2.92 -4.36 -1.26 -4.65 121.20 113.47 2ooq s ILE 944 Ca 0.24 -2.03 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 2ooq s ILE 944 Cb -0.07 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 2ooq s ILE 944 CO -0.14 -0.20 1.00 -0.55 0.24 0.00 0.00 174.94 175.28 2ooq s SER 945 N -3.36 7.13 0.37 4.36 0.15 -1.26 -4.59 113.70 116.50 2ooq s SER 945 Ca 0.32 1.40 -0.28 0.00 0.70 0.00 0.00 55.95 58.08 2ooq s SER 945 Cb 0.07 -2.53 -0.11 0.00 -1.71 0.00 0.00 66.02 61.73 2ooq s SER 945 CO 0.11 -0.56 1.46 -0.31 1.20 0.00 0.00 173.24 175.15 2ooq s TYR 946 N 2.65 2.64 0.16 3.44 2.02 -1.26 -4.53 117.35 122.47 2ooq s TYR 946 Ca 0.45 1.20 -0.16 0.00 -0.37 0.00 0.00 57.07 58.19 2ooq s TYR 946 Cb -0.16 -3.98 0.10 0.00 -0.40 0.00 0.00 41.96 37.52 2ooq s TYR 946 CO 0.11 -2.86 1.70 -0.44 -1.57 0.00 0.00 175.55 172.50 2ooq h ASP 947 N 3.04 -0.12 0.39 2.29 3.32 -1.42 -1.90 116.42 122.02 2ooq h ASP 947 Ca -0.51 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2ooq h ASP 947 Cb 1.24 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.93 2ooq h ASP 947 CO 0.64 -0.03 -0.10 1.12 -1.72 0.00 0.00 179.24 179.15 2ooq h HIS 948 N 0.12 0.00 0.00 4.55 2.07 -1.92 -2.83 115.15 117.15 2ooq h HIS 948 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 2ooq h HIS 948 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 2ooq h HIS 948 CO -0.25 0.10 0.00 -1.13 -3.07 0.00 0.00 177.93 173.59 2ooq n SER 949 N -3.57 1.81 -4.77 3.10 3.41 -1.16 -5.06 113.62 107.39 2ooq n SER 949 Ca -0.02 -1.88 -0.37 0.00 -0.26 0.00 0.00 58.87 56.35 2ooq n SER 949 Cb 0.23 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2ooq n SER 949 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2ooq s ARG 950 N -0.88 3.96 -0.54 4.33 3.52 -0.72 -0.64 118.95 127.98 2ooq s ARG 950 Ca 0.00 1.69 -0.25 0.00 -0.13 0.00 0.00 55.73 57.04 2ooq s ARG 950 Cb 0.00 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.92 2ooq s ARG 950 CO 0.00 -0.36 1.00 0.08 -0.81 0.00 0.00 175.30 175.21 2ooq s VAL 951 N -1.56 4.31 -0.10 7.11 1.01 -0.95 -4.76 120.40 125.46 2ooq s VAL 951 Ca 0.60 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 2ooq s VAL 951 Cb -0.27 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 2ooq s VAL 951 CO 0.33 -1.13 0.64 -0.13 0.00 0.00 0.00 175.10 174.81 2ooq s ARG 952 N 4.16 4.37 0.08 2.72 0.52 -1.26 -4.35 118.95 125.19 2ooq s ARG 952 Ca 0.34 0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 56.11 2ooq s ARG 952 Cb -0.11 -3.47 -0.07 0.00 0.52 0.00 0.00 34.95 31.82 2ooq s ARG 952 CO 0.22 0.03 0.56 -0.51 0.02 0.00 0.00 175.30 175.61 2ooq s LEU 953 N 0.97 4.48 0.32 2.53 1.43 -0.33 -5.05 118.68 123.04 2ooq s LEU 953 Ca 0.33 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.35 2ooq s LEU 953 Cb -0.17 -2.96 -0.12 0.00 0.03 0.00 0.00 46.19 42.98 2ooq s LEU 953 CO 0.15 0.24 1.49 0.18 0.23 0.00 0.00 176.35 178.64 2ooq n LEU 954 N 1.53 4.18 -4.77 1.79 4.77 -1.26 -4.21 117.00 119.04 2ooq n LEU 954 Ca -0.10 1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 56.67 2ooq n LEU 954 Cb 0.51 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 2ooq n LEU 954 CO 0.41 -0.03 0.84 -0.69 -1.33 0.00 0.00 177.39 176.58 2ooq s VAL 955 N -0.51 3.27 0.20 4.08 1.01 -1.26 -4.73 120.40 122.46 2ooq s VAL 955 Ca 0.60 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 2ooq s VAL 955 Cb -0.52 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 2ooq s VAL 955 CO 0.55 0.22 0.88 -0.76 0.00 0.00 0.00 175.10 175.99 2ooq s LEU 956 N -1.89 4.62 -0.04 3.92 1.43 -1.26 -4.97 118.68 120.49 2ooq s LEU 956 Ca 0.50 1.82 -0.38 0.00 -1.03 0.00 0.00 54.13 55.04 2ooq s LEU 956 Cb -0.32 -3.48 -0.16 0.00 0.03 0.00 0.00 46.19 42.25 2ooq s LEU 956 CO 0.42 0.17 1.49 0.47 0.23 0.00 0.00 176.35 179.12 2ooq n ASP 957 N 1.61 1.94 0.00 2.29 8.00 -1.26 -1.41 116.55 127.72 2ooq n ASP 957 Ca -0.03 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.57 2ooq n ASP 957 Cb 0.48 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2ooq n ASP 957 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ooq n GLY 958 N 3.14 1.18 2.76 0.44 0.00 -1.26 -4.99 105.19 106.45 2ooq n GLY 958 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2ooq n GLY 958 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ooq s ASP 959 N -3.11 4.01 0.16 1.61 2.15 -0.50 -4.99 116.67 116.00 2ooq s ASP 959 Ca 0.00 -1.96 0.20 0.00 0.43 0.00 0.00 52.55 51.22 2ooq s ASP 959 Cb 0.00 -0.99 0.84 0.00 -0.30 0.00 0.00 42.92 42.47 2ooq s ASP 959 CO 0.00 -0.37 1.62 -0.81 -0.17 0.00 0.00 175.17 175.44 2ooq n PRO 960 N 4.43 0.12 -0.23 4.34 -0.04 -1.26 -1.51 135.00 140.86 2ooq n PRO 960 Ca 0.02 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 2ooq n PRO 960 Cb 0.40 -1.73 0.27 0.00 -0.04 0.00 0.00 33.50 32.40 2ooq n PRO 960 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2ooq n HIS 961 N -1.96 0.60 1.77 0.54 8.25 -1.26 -4.38 115.22 118.78 2ooq n HIS 961 Ca 0.03 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 2ooq n HIS 961 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.20 0.22 -0.48 0.41 3.41 -0.57 -3.22 113.62 114.59 2ooq n SER 962 Ca 0.19 -1.99 0.14 0.00 -0.26 0.00 0.00 58.87 56.95 2ooq n SER 962 Cb 0.52 -0.11 0.51 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.39 1.50 -4.65 4.04 5.75 -1.26 -4.53 116.55 117.02 2ooq n ASP 963 Ca 0.00 -1.52 -0.35 0.00 -0.01 0.00 0.00 54.79 52.92 2ooq n ASP 963 Cb 0.06 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.98 3.26 0.01 2.11 5.04 -1.20 -1.18 117.35 123.41 2ooq s TYR 964 Ca 0.37 0.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2ooq s TYR 964 Cb 0.21 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.47 2ooq s TYR 964 CO 0.33 0.21 -0.00 -1.50 -1.34 0.00 0.00 175.55 173.24 2ooq s ILE 965 N 0.18 0.06 -1.25 3.14 2.07 -1.26 -4.98 121.20 119.15 2ooq s ILE 965 Ca 0.04 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 58.61 2ooq s ILE 965 Cb -0.12 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.32 2ooq s ILE 965 CO 0.01 -0.26 1.82 0.21 -1.91 0.00 0.00 174.94 174.81 2ooq s ASN 966 N -0.76 6.08 -0.04 4.50 2.47 -1.26 -4.71 114.94 121.22 2ooq s ASN 966 Ca -0.08 -2.13 -0.19 0.00 0.42 0.00 0.00 52.86 50.88 2ooq s ASN 966 Cb -0.05 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 37.20 2ooq s ASN 966 CO -0.00 -1.98 0.41 0.00 -3.72 0.00 0.00 177.10 171.81 2ooq s ALA 967 N 7.09 -1.05 -0.00 1.71 0.00 -1.26 -3.11 121.76 125.13 2ooq s ALA 967 Ca 0.60 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2ooq s ALA 967 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2ooq s ALA 967 CO 0.10 -0.28 -0.02 -0.80 0.00 0.00 0.00 175.76 174.76 2ooq s ASN 968 N -1.09 0.31 0.41 0.00 -0.87 -0.20 -2.24 114.94 111.25 2ooq s ASN 968 Ca -0.11 -0.04 -0.27 0.00 -1.57 0.00 0.00 52.86 50.87 2ooq s ASN 968 Cb -0.04 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.25 41.05 2ooq s ASN 968 CO 0.05 0.02 1.41 -0.31 -2.57 0.00 0.00 177.10 175.70 2ooq s TYR 969 N 0.06 2.63 -0.05 2.20 2.02 0.19 -0.88 117.35 123.52 2ooq s TYR 969 Ca -0.00 1.28 0.02 0.00 -0.37 0.00 0.00 57.07 58.00 2ooq s TYR 969 Cb -0.02 -3.88 0.01 0.00 -0.40 0.00 0.00 41.96 37.67 2ooq s TYR 969 CO -0.00 -2.67 -0.10 0.42 -1.57 0.00 0.00 175.55 171.63 2ooq s ILE 970 N -1.18 0.90 0.38 2.71 -1.09 0.36 -4.84 121.20 118.44 2ooq s ILE 970 Ca 0.56 -0.37 -0.26 0.00 -2.23 0.00 0.00 60.65 58.36 2ooq s ILE 970 Cb -0.43 -0.83 -0.09 0.00 -1.58 0.00 0.00 42.46 39.54 2ooq s ILE 970 CO 0.57 0.29 1.18 -1.81 -1.23 0.00 0.00 174.94 173.93 2ooq s ASP 971 N 0.54 6.61 0.69 3.58 1.01 -1.26 -1.16 116.67 126.69 2ooq s ASP 971 Ca -0.10 2.37 0.03 0.00 0.71 0.00 0.00 52.55 55.57 2ooq s ASP 971 Cb -0.13 -2.62 0.13 0.00 1.01 0.00 0.00 42.92 41.31 2ooq s ASP 971 CO 0.02 -0.62 0.96 -0.83 0.21 0.00 0.00 175.17 174.91 2ooq s GLY 972 N -1.06 1.73 0.20 0.21 0.00 0.67 -4.76 107.32 104.30 2ooq s GLY 972 Ca 0.55 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.16 2ooq s GLY 972 CO 0.40 -1.42 1.86 -1.82 0.00 0.00 0.00 173.10 172.13 2ooq h TYR 973 N -0.35 0.87 0.07 1.90 3.20 -1.94 -3.32 116.97 117.39 2ooq h TYR 973 Ca -0.32 0.02 -0.36 0.00 3.14 0.00 0.00 58.73 61.21 2ooq h TYR 973 Cb 1.27 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2ooq h TYR 973 CO -0.03 0.56 -2.07 0.72 -1.64 0.00 0.00 178.16 175.69 2ooq n HIS 974 N -4.60 0.86 -4.22 -3.82 8.25 -1.26 -5.02 115.22 105.41 2ooq n HIS 974 Ca 0.06 0.21 -0.17 0.00 -0.26 0.00 0.00 57.72 57.56 2ooq n HIS 974 Cb 0.02 -1.12 -0.15 0.00 1.12 0.00 0.00 29.99 29.86 2ooq n HIS 974 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ooq s ARG 975 N -2.55 0.55 0.60 -0.41 0.52 -1.25 -5.14 118.95 111.27 2ooq s ARG 975 Ca -0.21 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 54.62 2ooq s ARG 975 Cb 0.07 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.98 2ooq s ARG 975 CO 0.75 0.12 1.10 -1.25 0.02 0.00 0.00 175.30 176.04 2ooq s PRO 976 N -0.06 3.14 -1.43 3.54 0.04 -1.26 -0.24 135.00 138.74 2ooq s PRO 976 Ca 0.01 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 2ooq s PRO 976 Cb -0.04 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2ooq s PRO 976 CO -0.00 -0.98 0.48 0.54 0.04 0.00 0.00 177.00 177.08 2ooq n ARG 977 N -1.93 -3.96 -0.08 4.56 1.74 -1.24 -4.77 116.66 110.98 2ooq n ARG 977 Ca 0.10 0.73 -0.05 0.00 -0.77 0.00 0.00 57.85 57.86 2ooq n ARG 977 Cb 0.52 -5.50 0.14 0.00 -1.02 0.00 0.00 32.46 26.60 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 -1.05 0.81 -2.18 -1.55 2.76 -1.36 -3.40 115.15 109.18 2ooq h HIS 978 Ca -0.47 -0.14 -0.59 0.00 -2.20 0.00 0.00 60.37 56.97 2ooq h HIS 978 Cb 1.32 -0.21 -0.14 0.00 1.55 0.00 0.00 27.41 29.94 2ooq h HIS 978 CO 0.60 0.81 -0.71 0.71 -1.30 0.00 0.00 177.93 178.04 2ooq s TYR 979 N -4.81 2.27 -0.16 5.26 2.02 -0.30 -1.84 117.35 119.79 2ooq s TYR 979 Ca -0.09 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2ooq s TYR 979 Cb 0.14 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 2ooq s TYR 979 CO 0.82 0.58 -0.19 0.42 -1.57 0.00 0.00 175.55 175.60 2ooq s ILE 980 N -2.65 2.21 -0.24 2.71 1.01 -0.16 -0.49 121.20 123.60 2ooq s ILE 980 Ca 0.31 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2ooq s ILE 980 Cb -0.00 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 2ooq s ILE 980 CO 0.15 0.53 0.19 0.00 0.00 0.00 0.00 174.94 175.81 2ooq s ALA 981 N 1.06 3.60 0.22 9.38 0.00 -0.06 0.30 121.76 136.26 2ooq s ALA 981 Ca -0.01 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2ooq s ALA 981 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2ooq s ALA 981 CO -0.07 -0.23 0.29 -0.08 0.00 0.00 0.00 175.76 175.68 2ooq s THR 982 N 1.14 0.00 0.63 0.00 -1.32 -0.26 -1.03 115.64 114.80 2ooq s THR 982 Ca 0.09 -1.72 -0.11 0.00 -1.21 0.00 0.00 61.69 58.75 2ooq s THR 982 Cb -0.14 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 2ooq s THR 982 CO 0.05 -0.01 1.02 0.00 -2.21 0.00 0.00 174.62 173.48 2ooq s GLN 983 N -4.09 3.43 0.17 7.08 -2.07 -1.18 -3.78 119.66 119.21 2ooq s GLN 983 Ca 0.31 0.63 -0.32 0.00 -1.82 0.00 0.00 55.36 54.16 2ooq s GLN 983 Cb 0.03 -2.10 -0.10 0.00 -1.09 0.00 0.00 33.01 29.75 2ooq s GLN 983 CO 0.10 -0.64 1.60 0.20 -1.32 0.00 0.00 175.29 175.23 2ooq s GLY 984 N -4.21 1.50 0.59 2.60 0.00 0.09 -4.78 107.32 103.10 2ooq s GLY 984 Ca 0.55 1.41 -0.18 0.00 0.00 0.00 0.00 44.72 46.50 2ooq s GLY 984 CO 0.53 2.68 0.60 -1.05 0.00 0.00 0.00 173.10 175.86 2ooq n PRO 985 N 4.00 0.55 -4.00 2.90 -0.02 -1.26 -4.80 135.00 132.38 2ooq n PRO 985 Ca 0.14 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 2ooq n PRO 985 Cb 0.38 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.28 2.60 0.27 -0.52 -1.94 -1.26 -1.72 119.30 114.45 2ooq s MET 986 Ca 0.70 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 53.34 2ooq s MET 986 Cb -0.43 -2.36 0.59 0.00 2.01 0.00 0.00 34.83 34.64 2ooq s MET 986 CO 0.53 0.17 1.77 0.37 -0.01 0.00 0.00 175.02 177.85 2ooq h GLN 987 N 1.44 0.68 0.00 2.03 5.75 -1.96 -0.24 115.11 122.81 2ooq h GLN 987 Ca -0.45 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2ooq h GLN 987 Cb 1.25 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.65 2ooq h GLN 987 CO 0.60 0.45 0.00 0.39 -2.65 0.00 0.00 178.83 177.62 2ooq n GLU 988 N -4.82 0.22 0.00 1.69 4.71 -1.26 -3.72 120.64 117.46 2ooq n GLU 988 Ca 0.19 0.38 0.03 0.00 -0.01 0.00 0.00 57.16 57.75 2ooq n GLU 988 Cb 0.46 -1.88 0.03 0.00 -1.01 0.00 0.00 31.44 29.04 2ooq n GLU 988 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2ooq n THR 989 N -2.29 0.00 -0.22 2.62 -2.24 -0.14 -4.74 114.28 107.27 2ooq n THR 989 Ca 0.03 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.27 2ooq n THR 989 Cb 0.28 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.25 1.07 -0.53 2.28 2.07 -1.54 0.12 116.25 120.97 2ooq h VAL 990 Ca 0.00 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2ooq h VAL 990 Cb 0.27 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2ooq h VAL 990 CO 0.00 0.14 0.33 0.11 0.02 0.00 0.00 177.57 178.17 2ooq h LYS 991 N 0.76 0.63 -0.75 1.57 1.57 -1.86 -1.86 116.57 116.64 2ooq h LYS 991 Ca 0.26 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2ooq h LYS 991 Cb 0.04 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2ooq h LYS 991 CO -0.11 0.42 0.47 -0.44 -0.57 0.00 0.00 179.45 179.22 2ooq h ASP 992 N 0.65 0.79 -0.15 0.86 3.32 -1.62 -0.56 116.42 119.71 2ooq h ASP 992 Ca 0.21 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2ooq h ASP 992 Cb -0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2ooq h ASP 992 CO -0.08 0.55 0.08 0.15 -1.72 0.00 0.00 179.24 178.21 2ooq h PHE 993 N 0.93 0.21 -0.25 4.55 3.57 -0.34 0.14 116.94 125.75 2ooq h PHE 993 Ca 0.30 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2ooq h PHE 993 Cb 0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2ooq h PHE 993 CO -0.03 0.23 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.61 2ooq h TRP 994 N 0.13 0.49 -0.60 0.41 4.06 -1.14 -0.68 115.95 118.61 2ooq h TRP 994 Ca 0.05 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 60.95 2ooq h TRP 994 Cb 0.10 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 2ooq h TRP 994 CO -0.03 0.61 0.36 0.00 -3.56 0.00 0.00 178.44 175.82 2ooq h ARG 995 N 0.41 0.69 0.03 0.49 3.08 -0.68 -1.17 114.38 117.22 2ooq h ARG 995 Ca 0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2ooq h ARG 995 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2ooq h ARG 995 CO 0.04 0.46 -0.12 1.98 -1.07 0.00 0.00 179.97 181.25 2ooq h MET 996 N 0.71 -0.22 -0.41 0.04 4.05 -0.41 0.58 114.93 119.27 2ooq h MET 996 Ca 0.24 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.76 2ooq h MET 996 Cb 0.03 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 2ooq h MET 996 CO -0.11 -0.14 -0.03 0.82 0.23 0.00 0.00 176.91 177.68 2ooq h ILE 997 N -0.22 0.65 0.13 1.77 1.08 -0.77 0.24 117.51 120.39 2ooq h ILE 997 Ca 0.03 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 2ooq h ILE 997 Cb 0.26 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2ooq h ILE 997 CO -0.10 0.01 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.06 2ooq h TRP 998 N 0.07 -0.17 -0.77 1.37 2.91 -1.06 -2.19 115.95 116.12 2ooq h TRP 998 Ca 0.20 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.35 2ooq h TRP 998 Cb 0.30 0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 28.92 2ooq h TRP 998 CO -0.30 0.13 0.37 0.37 -1.03 0.00 0.00 178.44 177.98 2ooq h GLN 999 N -0.46 0.55 -0.01 2.65 4.15 -0.63 -2.50 115.11 118.85 2ooq h GLN 999 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2ooq h GLN 999 Cb 0.37 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.93 2ooq h GLN 999 CO 0.03 0.37 -0.06 0.39 -1.93 0.00 0.00 178.83 177.62 2ooq n GLU 1000N -4.90 1.44 -3.32 1.69 -0.58 0.05 -4.93 120.64 110.08 2ooq n GLU 1000Ca 0.14 -0.82 -0.24 0.00 -0.42 0.00 0.00 57.16 55.82 2ooq n GLU 1000Cb 0.37 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.07 -5.98 -4.76 1.62 5.15 -0.86 -3.89 115.26 106.47 2ooq n ASN 1001Ca 0.17 -0.42 -0.40 0.00 -0.60 0.00 0.00 54.58 53.33 2ooq n ASN 1001Cb 0.35 -4.78 -0.05 0.00 -0.53 0.00 0.00 39.78 34.77 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 -2.97 7.30 0.00 1.20 0.01 -0.97 -0.43 113.70 117.83 2ooq s SER 1002Ca 0.44 2.17 0.11 0.00 1.31 0.00 0.00 55.95 59.99 2ooq s SER 1002Cb -0.20 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.31 2ooq s SER 1002CO 0.55 -0.11 0.53 0.00 0.41 0.00 0.00 173.24 174.62 2ooq n ALA 1003N 1.12 3.36 -3.56 1.44 0.00 -1.26 -4.87 120.51 116.74 2ooq n ALA 1003Ca -0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 2ooq n ALA 1003Cb 0.46 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.95 0.14 -0.10 0.00 0.01 -1.26 -0.84 113.70 109.70 2ooq s SER 1004Ca 0.06 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2ooq s SER 1004Cb 0.09 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 2ooq s SER 1004CO 0.43 -0.09 -0.22 -0.63 0.41 0.00 0.00 173.24 173.13 2ooq s ILE 1005N 0.83 2.21 -0.28 1.44 1.01 0.59 -1.29 121.20 125.70 2ooq s ILE 1005Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2ooq s ILE 1005Cb -0.10 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.57 2ooq s ILE 1005CO -0.02 0.56 -0.05 -0.69 0.00 0.00 0.00 174.94 174.73 2ooq s VAL 1006N 0.32 2.61 -0.28 2.92 1.01 0.16 0.25 120.40 127.39 2ooq s VAL 1006Ca -0.17 -1.51 -0.06 0.00 0.00 0.00 0.00 61.98 60.24 2ooq s VAL 1006Cb -0.18 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2ooq s VAL 1006CO 0.08 -0.08 0.06 -0.32 0.00 0.00 0.00 175.10 174.85 2ooq s MET 1007N 1.18 3.14 -0.54 2.72 0.00 -0.02 -0.93 119.30 124.85 2ooq s MET 1007Ca -0.07 -0.82 0.04 0.00 0.00 0.00 0.00 55.69 54.84 2ooq s MET 1007Cb -0.20 -3.31 0.39 0.00 0.00 0.00 0.00 34.83 31.71 2ooq s MET 1007CO -0.03 -0.40 1.23 0.28 0.00 0.00 0.00 175.02 176.10 2ooq n VAL 1008N 4.85 2.78 -3.47 10.11 0.31 -0.03 -0.39 118.33 132.49 2ooq n VAL 1008Ca -0.15 -5.00 -0.13 0.00 -0.01 0.00 0.00 64.34 59.05 2ooq n VAL 1008Cb 0.48 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 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 -5.26 0.01 0.48 2.52 -1.32 -1.24 -4.70 115.64 106.14 2ooq s THR 1009Ca 0.48 -0.10 -0.05 0.00 -1.21 0.00 0.00 61.69 60.82 2ooq s THR 1009Cb 0.38 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 2ooq s THR 1009CO -0.21 -0.05 0.78 0.20 -2.21 0.00 0.00 174.62 173.12 2ooq s ASN 1010N -2.51 6.20 0.19 8.08 -0.87 -1.26 -4.79 114.94 119.97 2ooq s ASN 1010Ca -0.01 0.86 -0.08 0.00 -1.57 0.00 0.00 52.86 52.06 2ooq s ASN 1010Cb -0.00 -2.17 0.08 0.00 -0.02 0.00 0.00 41.25 39.14 2ooq s ASN 1010CO -0.09 -0.60 1.62 -0.07 -2.57 0.00 0.00 177.10 175.39 2ooq h LEU 1011N 0.23 0.99 -8.09 0.60 3.38 -1.95 -3.41 115.31 107.07 2ooq h LEU 1011Ca -0.47 -0.32 -0.56 0.00 0.09 0.00 0.00 57.88 56.62 2ooq h LEU 1011Cb 1.21 -0.27 -0.33 0.00 0.09 0.00 0.00 40.66 41.36 2ooq h LEU 1011CO 0.61 1.10 -0.83 -0.69 0.09 0.00 0.00 178.44 178.72 2ooq s VAL 1012N -4.85 1.39 -0.02 1.22 1.01 -1.26 0.42 120.40 118.32 2ooq s VAL 1012Ca -0.11 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2ooq s VAL 1012Cb 0.13 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2ooq s VAL 1012CO 0.86 0.41 -0.00 -1.61 0.00 0.00 0.00 175.10 174.75 2ooq s GLU 1013N 0.54 0.22 -1.46 2.72 2.02 -0.38 -4.88 118.70 117.48 2ooq s GLU 1013Ca -0.15 0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 2ooq s GLU 1013Cb -0.16 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.76 2ooq s GLU 1013CO 0.05 -0.07 0.51 1.33 0.02 0.00 0.00 175.26 177.10 2ooq n VAL 1014N 3.73 -2.72 -1.26 2.63 0.24 -1.26 -1.61 118.33 118.07 2ooq n VAL 1014Ca -0.22 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.60 2ooq n VAL 1014Cb 0.54 -2.54 -0.04 0.00 -1.47 0.00 0.00 33.84 30.32 2ooq n VAL 1014CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ooq n GLY 1015N -1.86 1.05 2.96 7.63 0.00 -1.26 -4.99 105.19 108.71 2ooq n GLY 1015Ca -0.23 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 2ooq n GLY 1015CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ooq s ARG 1016N -2.59 0.62 -0.12 1.61 3.52 -0.63 -5.11 118.95 116.25 2ooq s ARG 1016Ca 0.00 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.10 2ooq s ARG 1016Cb 0.00 -0.61 -0.02 0.00 -1.56 0.00 0.00 34.95 32.75 2ooq s ARG 1016CO 0.00 0.08 1.26 0.08 -0.81 0.00 0.00 175.30 175.91 2ooq s VAL 1017N 0.15 4.24 -0.04 7.11 1.01 -1.26 -1.25 120.40 130.34 2ooq s VAL 1017Ca -0.02 1.52 0.21 0.00 0.00 0.00 0.00 61.98 63.70 2ooq s VAL 1017Cb -0.06 -3.98 -0.33 0.00 0.00 0.00 0.00 36.38 32.01 2ooq s VAL 1017CO -0.00 -0.08 0.48 0.29 0.00 0.00 0.00 175.10 175.78 2ooq n LYS 1018N 6.10 0.64 -3.56 2.72 4.76 0.17 -4.97 118.16 124.01 2ooq n LYS 1018Ca 0.13 -0.19 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 2ooq n LYS 1018Cb 0.45 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 32.08 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 -0.82 4.94 -0.37 0.00 -7.23 -0.70 -4.69 120.40 111.53 2ooq s VAL 1020Ca -0.05 0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 2ooq s VAL 1020Cb -0.01 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2ooq s VAL 1020CO 0.04 -0.49 1.49 -0.60 -0.31 0.00 0.00 175.10 175.24 2ooq s ARG 1021N -3.90 3.58 0.00 4.82 3.52 -1.26 -4.76 118.95 120.94 2ooq s ARG 1021Ca 0.46 1.12 0.12 0.00 -0.13 0.00 0.00 55.73 57.30 2ooq s ARG 1021Cb -0.10 -4.04 0.31 0.00 -1.56 0.00 0.00 34.95 29.55 2ooq s ARG 1021CO 0.33 -1.56 1.23 2.48 -0.81 0.00 0.00 175.30 176.98 2ooq n TYR 1022N 8.95 0.44 -4.28 5.12 0.18 -1.26 -4.99 117.16 121.32 2ooq n TYR 1022Ca 0.18 -0.43 -0.20 0.00 1.88 0.00 0.00 57.90 59.33 2ooq n TYR 1022Cb 0.47 -0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.30 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 -1.00 1.62 0.29 -3.48 -2.14 -1.26 -5.06 118.94 107.91 2ooq s TRP 1023Ca 0.24 -0.50 -0.19 0.00 2.66 0.00 0.00 56.10 58.31 2ooq s TRP 1023Cb 0.13 -0.84 -0.09 0.00 -3.10 0.00 0.00 33.47 29.57 2ooq s TRP 1023CO 0.17 0.23 0.79 -1.25 -2.66 0.00 0.00 176.95 174.23 2ooq s PRO 1024N -2.58 4.23 0.23 3.25 0.04 -1.26 -4.97 135.00 133.93 2ooq s PRO 1024Ca 0.11 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 2ooq s PRO 1024Cb -0.06 -2.66 0.25 0.00 0.04 0.00 0.00 34.50 32.08 2ooq s PRO 1024CO 0.05 0.26 1.65 -0.44 0.04 0.00 0.00 177.00 178.55 2ooq h ASP 1025N 2.87 0.67 0.00 6.66 3.32 -2.01 -3.43 116.42 124.50 2ooq h ASP 1025Ca -0.48 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.33 2ooq h ASP 1025Cb 1.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2ooq h ASP 1025CO 0.65 0.91 0.00 -0.67 -1.72 0.00 0.00 179.24 178.40 2ooq n ASP 1026N -4.10 0.00 -3.78 6.45 2.03 -1.26 -4.81 116.55 111.08 2ooq n ASP 1026Ca -0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2ooq n ASP 1026Cb 0.44 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.25 0.01 0.10 5.18 -1.32 -1.26 -0.77 115.64 117.32 2ooq s THR 1027Ca 0.00 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.24 2ooq s THR 1027Cb 0.00 -0.41 0.02 0.00 -1.51 0.00 0.00 72.50 70.60 2ooq s THR 1027CO 0.00 -0.05 0.34 -1.61 -2.21 0.00 0.00 174.62 171.09 2ooq s GLU 1028N -0.11 0.97 -0.14 7.08 0.41 -0.72 -4.98 118.70 121.21 2ooq s GLU 1028Ca -0.02 -0.70 0.02 0.00 -0.41 0.00 0.00 54.97 53.86 2ooq s GLU 1028Cb -0.03 0.42 0.01 0.00 -1.78 0.00 0.00 34.13 32.75 2ooq s GLU 1028CO 0.01 -0.35 -0.21 0.08 -0.49 0.00 0.00 175.26 174.30 2ooq s VAL 1029N -3.51 2.20 -0.34 2.63 1.01 -1.26 -1.34 120.40 119.79 2ooq s VAL 1029Ca 0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2ooq s VAL 1029Cb 0.02 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.57 2ooq s VAL 1029CO -0.10 0.54 0.09 -0.31 0.00 0.00 0.00 175.10 175.33 2ooq s TYR 1030N 0.75 3.33 0.00 5.22 2.02 -0.09 -4.88 117.35 123.71 2ooq s TYR 1030Ca -0.08 -1.80 0.00 0.00 -0.37 0.00 0.00 57.07 54.82 2ooq s TYR 1030Cb -0.16 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 2ooq s TYR 1030CO -0.00 -0.81 0.00 0.41 -1.57 0.00 0.00 175.55 173.58 2ooq n GLY 1031N 4.70 1.06 0.08 0.71 0.00 -1.26 -1.13 105.19 109.35 2ooq n GLY 1031Ca -0.11 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 8.43 1.76 -4.51 1.61 5.75 -1.26 -5.01 116.55 123.30 2ooq n ASP 1032Ca 0.00 -2.37 -0.41 0.00 -0.01 0.00 0.00 54.79 51.99 2ooq n ASP 1032Cb 0.00 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.61 5.26 -0.24 2.12 -1.09 -0.28 -0.95 121.20 124.41 2ooq s ILE 1033Ca 0.14 -0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.05 2ooq s ILE 1033Cb 0.12 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2ooq s ILE 1033CO 0.01 -0.11 0.61 -0.75 -1.23 0.00 0.00 174.94 173.47 2ooq s LYS 1034N 1.75 4.13 -0.10 2.79 2.20 0.11 -0.91 119.74 129.73 2ooq s LYS 1034Ca 0.07 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 2ooq s LYS 1034Cb -0.18 -3.63 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2ooq s LYS 1034CO 0.11 -0.35 -0.23 0.08 -0.36 0.00 0.00 175.35 174.60 2ooq s VAL 1035N 2.28 2.16 -0.07 4.02 1.01 -0.45 -1.28 120.40 128.06 2ooq s VAL 1035Ca 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2ooq s VAL 1035Cb -0.16 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2ooq s VAL 1035CO 0.09 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 174.80 2ooq s THR 1036N 0.28 0.74 0.07 3.92 2.01 -0.68 -1.76 115.64 120.22 2ooq s THR 1036Ca -0.16 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 2ooq s THR 1036Cb -0.17 -0.77 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 2ooq s THR 1036CO 0.08 0.30 1.44 -0.22 -0.69 0.00 0.00 174.62 175.52 2ooq s LEU 1037N 1.35 4.35 -0.00 4.42 2.96 0.05 -0.84 118.68 130.97 2ooq s LEU 1037Ca -0.03 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.18 2ooq s LEU 1037Cb -0.14 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2ooq s LEU 1037CO -0.03 -0.71 0.02 2.30 -1.32 0.00 0.00 176.35 176.61 2ooq n ILE 1038N 4.29 0.00 -3.59 6.68 -5.35 0.59 -4.92 119.36 117.06 2ooq n ILE 1038Ca 0.13 -0.22 -0.16 0.00 -0.27 0.00 0.00 62.75 62.23 2ooq n ILE 1038Cb 0.42 0.71 -0.07 0.00 -1.74 0.00 0.00 39.64 38.96 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 -1.62 0.92 -0.11 6.28 2.12 -0.92 -4.99 118.70 120.39 2ooq s GLU 1039Ca -0.00 0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.98 2ooq s GLU 1039Cb 0.00 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.85 2ooq s GLU 1039CO 0.03 -0.20 -0.13 0.99 -0.54 0.00 0.00 175.26 175.40 2ooq s THR 1040N -0.35 1.37 -0.58 -1.70 2.01 -1.26 -0.59 115.64 114.53 2ooq s THR 1040Ca -0.05 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2ooq s THR 1040Cb -0.03 -1.28 0.15 0.00 0.01 0.00 0.00 72.50 71.35 2ooq s THR 1040CO 0.05 0.42 0.36 -0.70 -0.69 0.00 0.00 174.62 174.06 2ooq s GLU 1041N 1.12 2.30 -0.19 4.92 2.12 0.73 -5.00 118.70 124.71 2ooq s GLU 1041Ca -0.04 -2.59 -0.21 0.00 0.36 0.00 0.00 54.97 52.49 2ooq s GLU 1041Cb -0.14 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 2ooq s GLU 1041CO -0.03 -1.14 0.65 -1.25 -0.54 0.00 0.00 175.26 172.94 2ooq s PRO 1042N -0.19 4.22 0.45 4.30 0.04 -1.26 -1.30 135.00 141.25 2ooq s PRO 1042Ca 0.17 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.93 2ooq s PRO 1042Cb -0.23 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2ooq s PRO 1042CO -0.02 -0.24 0.25 -0.51 0.04 0.00 0.00 177.00 176.53 2ooq s LEU 1043N 1.91 3.04 0.24 -3.56 1.02 0.47 -5.00 118.68 116.80 2ooq s LEU 1043Ca 0.30 -1.08 -0.05 0.00 0.02 0.00 0.00 54.13 53.32 2ooq s LEU 1043Cb -0.16 -1.47 0.26 0.00 0.02 0.00 0.00 46.19 44.84 2ooq s LEU 1043CO 0.11 -0.70 1.78 0.00 0.02 0.00 0.00 176.35 177.56 2ooq h ALA 1044N 1.21 1.09 0.00 4.21 0.00 -2.03 -3.21 119.26 120.53 2ooq h ALA 1044Ca -0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2ooq h ALA 1044Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ooq h ALA 1044CO 0.65 0.61 -1.04 0.39 0.00 0.00 0.00 179.25 179.86 2ooq n GLU 1045N -4.25 0.44 -3.56 0.00 1.02 -1.26 -4.85 120.64 108.17 2ooq n GLU 1045Ca 0.05 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 2ooq n GLU 1045Cb 0.24 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.28 -0.29 -0.01 -0.32 -0.85 -1.21 -2.47 117.35 108.91 2ooq s TYR 1046Ca 0.01 0.12 0.02 0.00 -0.52 0.00 0.00 57.07 56.71 2ooq s TYR 1046Cb 0.12 0.56 -0.00 0.00 0.38 0.00 0.00 41.96 43.02 2ooq s TYR 1046CO 0.79 -0.59 -0.08 0.54 -1.52 0.00 0.00 175.55 174.69 2ooq s VAL 1047N -3.12 0.69 -0.24 -3.49 0.11 -0.04 -0.40 120.40 113.91 2ooq s VAL 1047Ca 0.07 -0.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 2ooq s VAL 1047Cb -0.01 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2ooq s VAL 1047CO -0.06 0.21 0.04 -0.63 -3.33 0.00 0.00 175.10 171.32 2ooq s ILE 1048N -0.01 4.04 -0.14 7.04 1.01 -0.42 -0.46 121.20 132.26 2ooq s ILE 1048Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2ooq s ILE 1048Cb -0.06 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2ooq s ILE 1048CO -0.00 0.36 -0.04 -0.13 0.00 0.00 0.00 174.94 175.12 2ooq s ARG 1049N 1.57 3.51 -0.12 2.79 0.52 -0.15 -0.19 118.95 126.88 2ooq s ARG 1049Ca 0.06 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2ooq s ARG 1049Cb -0.15 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 2ooq s ARG 1049CO 0.02 0.32 -0.10 0.99 0.02 0.00 0.00 175.30 176.55 2ooq s THR 1050N 0.14 3.34 0.11 0.02 2.01 0.24 -0.38 115.64 121.12 2ooq s THR 1050Ca -0.02 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.47 2ooq s THR 1050Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2ooq s THR 1050CO 0.03 0.53 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.98 2ooq s PHE 1051N 0.15 1.37 0.21 4.92 0.08 0.30 -0.30 117.98 124.72 2ooq s PHE 1051Ca -0.05 -0.53 -0.09 0.00 0.12 0.00 0.00 56.93 56.38 2ooq s PHE 1051Cb -0.15 -0.73 -0.07 0.00 -0.57 0.00 0.00 43.02 41.50 2ooq s PHE 1051CO 0.04 0.12 0.52 0.95 -0.10 0.00 0.00 175.22 176.75 2ooq s THR 1052N -1.87 4.97 -0.04 0.64 -4.23 -0.02 -1.19 115.64 113.90 2ooq s THR 1052Ca 0.06 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 2ooq s THR 1052Cb -0.06 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2ooq s THR 1052CO 0.03 -0.04 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.33 2ooq s VAL 1053N -1.78 0.54 -0.10 2.29 1.01 0.71 -1.69 120.40 121.37 2ooq s VAL 1053Ca 0.46 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 2ooq s VAL 1053Cb -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.74 2ooq s VAL 1053CO 0.22 0.22 0.25 -1.58 0.00 0.00 0.00 175.10 174.21 2ooq s GLN 1054N 0.88 0.26 -0.20 2.72 0.74 -0.41 -0.34 119.66 123.32 2ooq s GLN 1054Ca -0.12 0.44 -0.20 0.00 0.05 0.00 0.00 55.36 55.53 2ooq s GLN 1054Cb -0.14 0.03 -0.03 0.00 1.10 0.00 0.00 33.01 33.97 2ooq s GLN 1054CO 0.00 -0.09 0.61 0.21 -0.55 0.00 0.00 175.29 175.47 2ooq s LYS 1055N 0.64 4.21 0.32 1.67 2.20 -1.26 0.10 119.74 127.62 2ooq s LYS 1055Ca -0.04 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2ooq s LYS 1055Cb -0.06 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 2ooq s LYS 1055CO -0.04 -0.22 1.31 0.15 -0.36 0.00 0.00 175.35 176.19 2ooq s LYS 1056N 1.86 4.36 0.00 4.03 1.02 -0.13 -1.41 119.74 129.47 2ooq s LYS 1056Ca 0.28 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.47 2ooq s LYS 1056Cb -0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2ooq s LYS 1056CO 0.10 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2ooq n GLY 1057N 0.99 2.29 3.42 -3.33 0.00 -1.26 -5.03 105.19 102.27 2ooq n GLY 1057Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.46 2.01 -1.56 1.61 2.02 -0.50 -5.07 117.35 113.39 2ooq s TYR 1058Ca 0.00 -0.51 0.22 0.00 -0.37 0.00 0.00 57.07 56.41 2ooq s TYR 1058Cb 0.00 -0.96 -0.11 0.00 -0.40 0.00 0.00 41.96 40.49 2ooq s TYR 1058CO 0.00 0.49 0.99 0.72 -1.57 0.00 0.00 175.55 176.18 2ooq n HIS 1059N -0.53 0.00 -2.39 2.71 8.25 -1.26 -4.70 115.22 117.29 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 0.61 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.69 4.43 -0.19 -0.41 2.12 -1.26 -5.02 118.70 115.68 2ooq s GLU 1060Ca 0.14 1.81 0.01 0.00 0.36 0.00 0.00 54.97 57.28 2ooq s GLU 1060Cb 0.17 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 31.27 2ooq s GLU 1060CO 0.70 -0.26 -0.11 0.42 -0.54 0.00 0.00 175.26 175.47 2ooq s ILE 1061N 0.97 1.63 0.14 -3.70 1.01 -1.26 -4.30 121.20 115.69 2ooq s ILE 1061Ca 0.59 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2ooq s ILE 1061Cb -0.30 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2ooq s ILE 1061CO 0.30 0.20 0.16 -0.13 0.00 0.00 0.00 174.94 175.47 2ooq s ARG 1062N 1.41 3.05 -0.15 2.79 0.52 0.54 -4.91 118.95 122.20 2ooq s ARG 1062Ca -0.01 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2ooq s ARG 1062Cb -0.16 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 2ooq s ARG 1062CO -0.08 0.51 0.02 -2.00 0.02 0.00 0.00 175.30 173.77 2ooq s GLU 1063N -2.97 3.61 -0.01 3.54 2.12 -1.26 -0.21 118.70 123.52 2ooq s GLU 1063Ca 0.32 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2ooq s GLU 1063Cb -0.11 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.27 2ooq s GLU 1063CO 0.25 0.40 -0.07 -1.17 -0.54 0.00 0.00 175.26 174.12 2ooq s LEU 1064N -0.01 1.87 -0.11 2.70 0.20 -0.33 -4.76 118.68 118.23 2ooq s LEU 1064Ca 0.04 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 54.73 2ooq s LEU 1064Cb -0.13 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 45.22 2ooq s LEU 1064CO 0.02 0.06 -0.11 -0.13 -0.29 0.00 0.00 176.35 175.89 2ooq s ARG 1065N 0.06 3.20 -0.41 1.98 0.52 -0.02 -0.53 118.95 123.75 2ooq s ARG 1065Ca -0.00 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 2ooq s ARG 1065Cb -0.05 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.85 2ooq s ARG 1065CO -0.00 0.34 0.27 -1.17 0.02 0.00 0.00 175.30 174.76 2ooq s LEU 1066N 0.03 5.07 -0.48 2.53 2.96 0.49 -0.30 118.68 128.98 2ooq s LEU 1066Ca -0.03 -1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 52.43 2ooq s LEU 1066Cb -0.14 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.55 2ooq s LEU 1066CO 0.04 -0.50 0.65 -0.36 -1.32 0.00 0.00 176.35 174.86 2ooq s PHE 1067N 1.53 3.04 -0.38 5.38 0.08 0.14 -0.98 117.98 126.78 2ooq s PHE 1067Ca 0.03 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 2ooq s PHE 1067Cb -0.22 -3.49 0.06 0.00 -0.57 0.00 0.00 43.02 38.81 2ooq s PHE 1067CO 0.05 -0.99 0.19 -1.58 -0.10 0.00 0.00 175.22 172.78 2ooq s HIS 1068N 2.78 3.32 -0.38 0.36 2.46 0.40 -0.84 115.29 123.39 2ooq s HIS 1068Ca 0.19 -1.55 -0.29 0.00 0.47 0.00 0.00 55.06 53.87 2ooq s HIS 1068Cb -0.17 -2.68 0.02 0.00 -0.13 0.00 0.00 32.58 29.62 2ooq s HIS 1068CO 0.15 -0.80 1.15 0.12 -2.47 0.00 0.00 174.74 172.88 2ooq s PHE 1069N 1.39 2.92 -1.37 3.88 5.36 0.48 -0.86 117.98 129.77 2ooq s PHE 1069Ca 0.01 0.94 0.12 0.00 -0.96 0.00 0.00 56.93 57.05 2ooq s PHE 1069Cb -0.21 -4.04 0.19 0.00 -0.34 0.00 0.00 43.02 38.61 2ooq s PHE 1069CO 0.02 -1.16 1.04 0.25 -1.46 0.00 0.00 175.22 173.91 2ooq n THR 1070N 6.36 0.36 0.02 0.12 -2.24 -1.03 -3.60 114.28 114.26 2ooq n THR 1070Ca 0.13 -0.68 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 2ooq n THR 1070Cb 0.48 0.99 0.11 0.00 -2.10 0.00 0.00 70.33 69.80 2ooq n THR 1070CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ooq n SER 1071N 0.68 2.51 -4.70 3.42 3.41 -1.14 -4.89 113.62 112.91 2ooq n SER 1071Ca 0.09 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 2ooq n SER 1071Cb 0.36 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2ooq n SER 1071CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2ooq s TRP 1072N -0.94 2.84 0.74 7.33 -0.11 -1.26 -4.93 118.94 122.60 2ooq s TRP 1072Ca 0.18 0.64 -0.13 0.00 1.22 0.00 0.00 56.10 58.00 2ooq s TRP 1072Cb 0.10 -3.83 0.04 0.00 -1.50 0.00 0.00 33.47 28.29 2ooq s TRP 1072CO 0.13 -3.12 1.14 -1.25 -4.62 0.00 0.00 176.95 169.23 2ooq s PRO 1073N 1.90 2.23 0.45 5.86 0.04 -1.26 -4.91 135.00 139.31 2ooq s PRO 1073Ca 0.69 1.50 0.11 0.00 0.04 0.00 0.00 61.00 63.33 2ooq s PRO 1073Cb -0.38 -1.87 1.02 0.00 0.04 0.00 0.00 34.50 33.31 2ooq s PRO 1073CO 0.30 -1.71 2.09 -0.44 0.04 0.00 0.00 177.00 177.28 2ooq h ASP 1074N -0.56 0.26 -4.39 6.66 5.19 -1.98 -3.41 116.42 118.19 2ooq h ASP 1074Ca -0.46 -0.01 -0.58 0.00 -0.62 0.00 0.00 57.03 55.36 2ooq h ASP 1074Cb 1.26 -0.07 -0.29 0.00 0.18 0.00 0.00 39.33 40.41 2ooq h ASP 1074CO 0.50 0.20 -0.85 -1.00 -3.12 0.00 0.00 179.24 174.98 2ooq s HIS 1075N -5.28 1.76 0.00 4.55 3.76 -1.26 -4.91 115.29 113.92 2ooq s HIS 1075Ca -0.07 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2ooq s HIS 1075Cb 0.17 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.73 2ooq s HIS 1075CO 0.71 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.98 2ooq n GLY 1076N 2.55 -1.55 3.76 -2.22 0.00 -1.26 -4.92 105.19 101.55 2ooq n GLY 1076Ca -0.15 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 3.57 0.36 1.61 -7.23 -1.26 -4.63 120.40 112.82 2ooq s VAL 1077Ca 0.00 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.29 2ooq s VAL 1077Cb 0.00 -3.09 -0.12 0.00 0.56 0.00 0.00 36.38 33.73 2ooq s VAL 1077CO 0.00 -0.26 1.24 -2.65 -0.31 0.00 0.00 175.10 173.12 2ooq n PRO 1078N -1.15 1.96 0.00 4.82 -0.02 -1.26 -4.78 135.00 134.58 2ooq n PRO 1078Ca -0.05 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.27 2ooq n PRO 1078Cb 0.60 -2.27 0.71 0.00 -0.02 0.00 0.00 33.50 32.52 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 -2.14 -0.00 -1.24 0.00 -0.85 -1.26 -5.08 117.35 106.78 2ooq s TYR 1080Ca 0.39 -0.11 0.22 0.00 -0.52 0.00 0.00 57.07 57.05 2ooq s TYR 1080Cb 0.21 -0.00 -0.14 0.00 0.38 0.00 0.00 41.96 42.41 2ooq s TYR 1080CO 0.39 -0.38 0.97 0.00 -1.52 0.00 0.00 175.55 175.01 2ooq n ALA 1081N 1.02 4.43 -0.24 9.51 0.00 -1.26 -4.62 120.51 129.35 2ooq n ALA 1081Ca -0.21 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.58 2ooq n ALA 1081Cb 0.57 -0.79 0.09 0.00 0.00 0.00 0.00 19.45 19.32 2ooq n ALA 1081CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2ooq h THR 1082N 0.56 1.25 -0.27 0.00 2.02 -1.98 -0.32 112.91 114.17 2ooq h THR 1082Ca 0.00 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2ooq h THR 1082Cb 0.56 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ooq h THR 1082CO 0.00 0.34 0.08 1.23 0.37 0.00 0.00 175.52 177.55 2ooq h GLY 1083N 1.10 0.46 1.04 2.16 0.00 -2.00 -0.98 103.07 104.84 2ooq h GLY 1083Ca 0.23 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2ooq h GLY 1083CO -0.01 0.26 0.27 -2.00 0.00 0.00 0.00 176.54 175.06 2ooq h LEU 1084N 0.28 1.03 -0.86 3.11 5.85 -1.74 -1.37 115.31 121.61 2ooq h LEU 1084Ca 0.09 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2ooq h LEU 1084Cb 0.25 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2ooq h LEU 1084CO -0.00 0.94 0.42 -0.07 -0.34 0.00 0.00 178.44 179.39 2ooq h LEU 1085N 1.06 1.12 -0.70 2.25 3.38 -0.98 0.23 115.31 121.67 2ooq h LEU 1085Ca 0.24 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2ooq h LEU 1085Cb 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2ooq h LEU 1085CO -0.02 0.93 0.45 1.23 0.09 0.00 0.00 178.44 181.12 2ooq h GLY 1086N 1.22 1.01 0.98 0.83 0.00 -0.89 -1.49 103.07 104.74 2ooq h GLY 1086Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2ooq h GLY 1086CO -0.04 0.29 0.08 -2.75 0.00 0.00 0.00 176.54 174.12 2ooq h PHE 1087N 0.88 0.17 -0.60 5.60 3.57 -0.79 -1.76 116.94 124.00 2ooq h PHE 1087Ca 0.28 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.83 2ooq h PHE 1087Cb 0.00 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2ooq h PHE 1087CO -0.04 0.13 0.33 0.28 -2.23 0.00 0.00 178.31 176.78 2ooq h VAL 1088N 0.15 0.98 -0.87 1.41 2.07 -0.82 -2.03 116.25 117.14 2ooq h VAL 1088Ca 0.05 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2ooq h VAL 1088Cb 0.01 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 2ooq h VAL 1088CO -0.01 0.11 0.52 -0.09 0.02 0.00 0.00 177.57 178.13 2ooq h ARG 1089N 0.63 0.86 -0.55 1.57 2.43 -0.92 -0.59 114.38 117.81 2ooq h ARG 1089Ca 0.26 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2ooq h ARG 1089Cb 0.14 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2ooq h ARG 1089CO -0.16 0.57 0.32 1.96 -1.51 0.00 0.00 179.97 181.15 2ooq h GLN 1090N 0.88 0.61 -0.26 0.20 1.08 -0.62 -0.24 115.11 116.76 2ooq h GLN 1090Ca 0.41 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.53 2ooq h GLN 1090Cb 0.33 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2ooq h GLN 1090CO -0.23 0.40 0.00 0.28 -0.95 0.00 0.00 178.83 178.34 2ooq h VAL 1091N 0.63 1.25 -0.50 -0.54 2.07 -0.98 -0.80 116.25 117.38 2ooq h VAL 1091Ca 0.23 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2ooq h VAL 1091Cb 0.06 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2ooq h VAL 1091CO -0.12 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.14 2ooq h LYS 1092N 0.24 0.51 -0.54 1.57 1.57 -0.93 -0.57 116.57 118.43 2ooq h LYS 1092Ca 0.07 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2ooq h LYS 1092Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2ooq h LYS 1092CO 0.01 0.34 0.06 0.74 -0.57 0.00 0.00 179.45 180.03 2ooq h PHE 1093N 0.53 0.93 0.00 -1.35 -1.00 -0.86 -3.38 116.94 111.80 2ooq h PHE 1093Ca 0.21 -0.12 -0.35 0.00 2.81 0.00 0.00 57.97 60.53 2ooq h PHE 1093Cb 0.09 -0.26 -0.06 0.00 3.61 0.00 0.00 35.95 39.33 2ooq h PHE 1093CO -0.09 0.81 -2.30 1.28 -1.61 0.00 0.00 178.31 176.41 2ooq n LEU 1094N -4.23 0.52 -4.70 1.54 4.77 -0.32 -4.92 117.00 109.66 2ooq n LEU 1094Ca 0.03 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 2ooq n LEU 1094Cb 0.28 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2ooq n LEU 1094CO 0.42 0.54 1.40 -3.20 -1.33 0.00 0.00 177.39 175.21 2ooq n ASN 1095N -2.78 3.87 -4.68 -1.43 5.15 -0.24 -4.91 115.26 110.23 2ooq n ASN 1095Ca -0.33 1.03 -0.42 0.00 -0.60 0.00 0.00 54.58 54.26 2ooq n ASN 1095Cb 1.08 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.77 2ooq n ASN 1095CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2ooq s PRO 1096N 1.87 4.32 0.57 1.20 0.02 -1.26 -4.90 135.00 136.82 2ooq s PRO 1096Ca 0.79 1.67 0.36 0.00 0.02 0.00 0.00 61.00 63.83 2ooq s PRO 1096Cb -0.53 -3.61 1.57 0.00 0.02 0.00 0.00 34.50 31.95 2ooq s PRO 1096CO 0.36 -0.52 2.06 -1.00 -0.33 0.00 0.00 177.00 177.57 2ooq h PRO 1097N 7.66 0.00 0.00 5.54 0.13 -1.97 -1.66 132.00 141.70 2ooq h PRO 1097Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ooq h PRO 1097Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ooq h PRO 1097CO 0.91 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 2ooq n GLU 1098N -3.09 0.50 -2.14 0.86 1.02 -1.26 -4.87 120.64 111.66 2ooq n GLU 1098Ca -0.00 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 2ooq n GLU 1098Cb 0.26 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.36 2ooq n GLU 1098CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ooq s ALA 1099N -2.47 2.62 1.00 0.62 0.00 -0.63 -5.09 121.76 117.82 2ooq s ALA 1099Ca 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2ooq s ALA 1099Cb 0.20 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2ooq s ALA 1099CO 0.42 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 174.29 2ooq n GLY 1100N -3.58 -1.12 3.75 0.00 0.00 0.42 -4.98 105.19 99.69 2ooq n GLY 1100Ca 0.17 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 2ooq n GLY 1100CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ooq s PRO 1101N -2.20 3.26 -0.22 1.61 0.02 -1.26 -4.53 135.00 131.68 2ooq s PRO 1101Ca 0.00 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.83 2ooq s PRO 1101Cb 0.00 -2.27 -0.00 0.00 0.02 0.00 0.00 34.50 32.25 2ooq s PRO 1101CO 0.00 -1.05 1.17 0.42 -0.33 0.00 0.00 177.00 177.21 2ooq s ILE 1102N -1.38 4.43 -0.16 2.83 1.01 -0.76 -4.47 121.20 122.70 2ooq s ILE 1102Ca 0.70 1.71 -0.26 0.00 0.00 0.00 0.00 60.65 62.80 2ooq s ILE 1102Cb -0.37 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 2ooq s ILE 1102CO 0.44 -0.23 0.85 -0.69 0.00 0.00 0.00 174.94 175.31 2ooq s VAL 1103N 3.52 4.87 -0.08 2.92 1.01 -0.41 -0.99 120.40 131.23 2ooq s VAL 1103Ca 0.50 1.68 0.04 0.00 0.00 0.00 0.00 61.98 64.20 2ooq s VAL 1103Cb -0.18 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2ooq s VAL 1103CO 0.13 0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.33 2ooq s VAL 1104N 2.14 1.91 0.07 2.92 1.01 0.15 0.40 120.40 128.99 2ooq s VAL 1104Ca 0.39 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2ooq s VAL 1104Cb -0.17 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2ooq s VAL 1104CO 0.13 0.53 0.22 -1.38 0.00 0.00 0.00 175.10 174.60 2ooq s HIS 1105N 0.25 0.06 0.00 5.22 -3.43 -0.11 -1.10 115.29 116.18 2ooq s HIS 1105Ca -0.14 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 2ooq s HIS 1105Cb -0.16 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2ooq s HIS 1105CO 0.07 -0.51 0.00 0.00 -2.00 0.00 0.00 174.74 172.30 2ooq n SER 1107N 0.00 0.00 0.18 0.00 2.88 -1.26 -2.10 113.62 113.32 2ooq n SER 1107Ca 0.00 0.14 0.06 0.00 -1.33 0.00 0.00 58.87 57.74 2ooq n SER 1107Cb 0.00 -0.43 0.24 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.00 0.87 0.00 -1.46 0.00 -1.90 0.30 119.26 115.06 2ooq h ALA 1108Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ooq h ALA 1108Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ooq h ALA 1108CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2ooq n GLY 1109N 0.66 1.00 1.18 0.00 0.00 -1.25 -4.15 105.19 102.63 2ooq n GLY 1109Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.86 3.00 -0.30 4.61 0.00 -1.26 -4.52 120.51 121.18 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 0.10 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.98 -0.24 0.31 0.00 0.00 -1.26 -1.49 105.19 105.49 2ooq n GLY 1111Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.94 -0.46 1.61 3.08 -1.96 -0.27 114.38 117.31 2ooq h ARG 1112Ca 0.00 -0.18 0.08 0.00 0.07 0.00 0.00 59.98 59.95 2ooq h ARG 1112Cb 0.00 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 29.83 2ooq h ARG 1112CO 0.00 0.81 0.04 1.15 -1.07 0.00 0.00 179.97 180.90 2ooq h THR 1113N 0.91 0.68 -0.65 2.04 2.02 -1.86 -0.44 112.91 115.61 2ooq h THR 1113Ca 0.20 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 2ooq h THR 1113Cb 0.27 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2ooq h THR 1113CO -0.01 0.03 0.09 1.23 0.37 0.00 0.00 175.52 177.23 2ooq h GLY 1114N 0.16 1.18 0.99 2.16 0.00 -0.63 -2.00 103.07 104.93 2ooq h GLY 1114Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2ooq h GLY 1114CO -0.35 0.74 0.06 0.00 0.00 0.00 0.00 176.54 176.99 2ooq h PHE 1116N 0.13 -0.40 -0.43 0.00 3.57 -0.91 -1.00 116.94 117.90 2ooq h PHE 1116Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2ooq h PHE 1116Cb -0.01 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2ooq h PHE 1116CO -0.08 -0.23 0.24 0.82 -2.23 0.00 0.00 178.31 176.84 2ooq h ILE 1117N -0.23 1.15 -0.46 1.41 2.04 -1.13 -0.96 117.51 119.32 2ooq h ILE 1117Ca 0.07 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2ooq h ILE 1117Cb 0.33 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2ooq h ILE 1117CO -0.18 0.16 0.29 0.00 0.00 0.00 0.00 178.15 178.42 2ooq h ALA 1118N 1.09 0.59 0.03 1.87 0.00 -0.62 -0.53 119.26 121.69 2ooq h ALA 1118Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ooq h ALA 1118Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2ooq h ALA 1118CO -0.03 0.06 -0.01 0.82 0.00 0.00 0.00 179.25 180.09 2ooq h ILE 1119N 0.62 1.15 -0.57 0.00 2.04 -1.01 -0.83 117.51 118.91 2ooq h ILE 1119Ca 0.17 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.56 2ooq h ILE 1119Cb -0.03 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 2ooq h ILE 1119CO -0.03 0.14 0.21 -0.78 0.00 0.00 0.00 178.15 177.68 2ooq h ASP 1120N -0.28 0.21 -0.29 1.72 3.58 -1.01 0.47 116.42 120.81 2ooq h ASP 1120Ca -0.00 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 2ooq h ASP 1120Cb 0.26 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2ooq h ASP 1120CO 0.01 0.13 -0.21 0.74 -2.88 0.00 0.00 179.24 177.03 2ooq h THR 1121N 0.39 1.30 -0.13 2.25 2.02 -0.98 -2.87 112.91 114.89 2ooq h THR 1121Ca 0.28 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 2ooq h THR 1121Cb 0.33 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2ooq h THR 1121CO -0.29 0.43 -0.47 0.24 0.37 0.00 0.00 175.52 175.80 2ooq h MET 1122N 0.41 0.33 -0.81 6.66 2.86 -0.83 -1.54 114.93 122.00 2ooq h MET 1122Ca 0.06 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2ooq h MET 1122Cb 0.76 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2ooq h MET 1122CO 0.06 0.73 0.54 -0.07 1.06 0.00 0.00 176.91 179.23 2ooq h LEU 1123N 0.26 0.93 -0.53 1.22 3.38 -0.83 0.75 115.31 120.49 2ooq h LEU 1123Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ooq h LEU 1123Cb 0.93 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2ooq h LEU 1123CO 0.08 0.67 0.25 0.44 0.09 0.00 0.00 178.44 179.96 2ooq h ASP 1124N 1.09 0.70 -0.49 -0.43 3.32 -1.26 -0.30 116.42 119.06 2ooq h ASP 1124Ca 0.30 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2ooq h ASP 1124Cb -0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2ooq h ASP 1124CO -0.07 0.64 0.20 -0.03 -1.72 0.00 0.00 179.24 178.26 2ooq h MET 1125N 0.72 0.73 -0.14 3.56 4.05 -0.97 -1.12 114.93 121.76 2ooq h MET 1125Ca 0.18 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2ooq h MET 1125Cb 0.13 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 2ooq h MET 1125CO -0.02 0.65 -0.01 0.00 0.23 0.00 0.00 176.91 177.76 2ooq h ALA 1126N 1.04 0.11 -0.62 0.39 0.00 -0.68 0.77 119.26 120.28 2ooq h ALA 1126Ca 0.16 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2ooq h ALA 1126Cb 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ooq h ALA 1126CO -0.01 -0.46 0.40 1.49 0.00 0.00 0.00 179.25 180.66 2ooq h GLU 1127N 0.04 0.77 0.12 0.00 4.81 -0.83 0.89 114.58 120.37 2ooq h GLU 1127Ca 0.07 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.93 2ooq h GLU 1127Cb 0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2ooq h GLU 1127CO -0.12 0.51 -1.64 -0.91 -0.73 0.00 0.00 179.01 176.12 2ooq h ASN 1128N 0.79 0.38 0.00 1.04 2.35 -1.08 -3.41 115.58 115.66 2ooq h ASN 1128Ca 0.24 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2ooq h ASN 1128Cb -0.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2ooq h ASN 1128CO -0.07 1.50 -1.05 -0.62 -1.65 0.00 0.00 177.43 175.53 2ooq n GLU 1129N -3.43 1.66 -1.27 0.81 1.02 0.25 -5.01 120.64 114.67 2ooq n GLU 1129Ca -0.20 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.80 2ooq n GLU 1129Cb 1.05 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 31.32 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 1.70 1.08 3.09 0.62 0.00 0.31 -5.00 105.19 106.99 2ooq n GLY 1130Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.31 0.24 0.08 1.61 -7.23 -1.26 -1.48 120.40 110.04 2ooq s VAL 1131Ca 0.00 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2ooq s VAL 1131Cb 0.00 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2ooq s VAL 1131CO 0.00 -0.99 -0.12 0.68 -0.31 0.00 0.00 175.10 174.37 2ooq s VAL 1132N -3.91 0.96 -0.44 1.32 -7.23 -0.12 -3.01 120.40 107.97 2ooq s VAL 1132Ca 0.07 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 2ooq s VAL 1132Cb 0.08 -1.10 0.17 0.00 0.56 0.00 0.00 36.38 36.09 2ooq s VAL 1132CO -0.10 -0.37 0.34 -0.62 -0.31 0.00 0.00 175.10 174.04 2ooq s ASP 1133N -1.97 2.00 0.10 4.85 -1.08 -1.26 -0.36 116.67 118.95 2ooq s ASP 1133Ca -0.01 -3.04 -0.13 0.00 -0.52 0.00 0.00 52.55 48.85 2ooq s ASP 1133Cb -0.07 -0.57 -0.13 0.00 -1.46 0.00 0.00 42.92 40.68 2ooq s ASP 1133CO 0.01 -0.18 1.33 0.40 0.52 0.00 0.00 175.17 177.26 2ooq h ILE 1134N 4.67 1.29 0.17 4.11 2.04 -1.99 -1.06 117.51 126.74 2ooq h ILE 1134Ca 0.22 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2ooq h ILE 1134Cb 0.90 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2ooq h ILE 1134CO 0.40 0.58 -0.15 0.15 0.00 0.00 0.00 178.15 179.13 2ooq h PHE 1135N 0.50 -0.39 -0.11 1.37 3.57 -1.96 -0.62 116.94 119.30 2ooq h PHE 1135Ca -0.02 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2ooq h PHE 1135Cb 1.23 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2ooq h PHE 1135CO 0.09 -0.23 -0.40 -0.91 -2.23 0.00 0.00 178.31 174.63 2ooq h ASN 1136N -0.34 0.25 -0.07 0.41 2.35 -1.97 -1.55 115.58 114.65 2ooq h ASN 1136Ca -0.00 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2ooq h ASN 1136Cb 0.32 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2ooq h ASN 1136CO -0.03 0.63 -0.19 0.00 -1.65 0.00 0.00 177.43 176.19 2ooq h VAL 1138N -0.27 1.25 -0.39 0.00 2.07 -0.85 0.39 116.25 118.46 2ooq h VAL 1138Ca 0.08 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.52 2ooq h VAL 1138Cb 0.38 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2ooq h VAL 1138CO -0.23 0.39 0.21 -0.09 0.02 0.00 0.00 177.57 177.88 2ooq h ARG 1139N 0.79 0.42 -0.51 1.57 2.43 -1.09 -0.12 114.38 117.88 2ooq h ARG 1139Ca 0.14 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2ooq h ARG 1139Cb 0.53 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2ooq h ARG 1139CO 0.03 0.28 -0.07 0.93 -1.51 0.00 0.00 179.97 179.63 2ooq h GLU 1140N 0.43 0.92 -0.77 0.20 5.08 -0.37 -2.60 114.58 117.48 2ooq h GLU 1140Ca 0.16 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2ooq h GLU 1140Cb 0.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2ooq h GLU 1140CO -0.09 0.95 0.50 -0.07 -1.00 0.00 0.00 179.01 179.31 2ooq h LEU 1141N 0.83 0.89 -1.63 1.33 3.38 -0.46 -2.14 115.31 117.52 2ooq h LEU 1141Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2ooq h LEU 1141Cb 0.59 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ooq h LEU 1141CO 0.04 0.65 -0.12 0.03 0.09 0.00 0.00 178.44 179.13 2ooq h ARG 1142N 1.05 0.00 -0.04 1.13 3.08 -0.66 -1.48 114.38 117.45 2ooq h ARG 1142Ca 0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2ooq h ARG 1142Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2ooq h ARG 1142CO -0.06 0.12 -0.14 0.00 -1.07 0.00 0.00 179.97 178.82 2ooq h ALA 1143N 1.88 1.70 0.00 0.04 0.00 -1.08 -3.23 119.26 118.58 2ooq h ALA 1143Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 2ooq h ALA 1143Cb 0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2ooq h ALA 1143CO 0.02 0.22 -2.30 1.04 0.00 0.00 0.00 179.25 178.23 2ooq n GLN 1144N -4.35 0.68 -3.73 0.00 6.02 -0.61 -4.93 117.38 110.47 2ooq n GLN 1144Ca -0.02 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 2ooq n GLN 1144Cb 0.22 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.72 0.41 0.28 -1.09 3.52 -0.88 -4.65 118.95 113.82 2ooq s ARG 1145Ca -0.10 0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 55.82 2ooq s ARG 1145Cb 0.08 0.11 -0.12 0.00 -1.56 0.00 0.00 34.95 33.46 2ooq s ARG 1145CO 0.85 -0.10 1.47 1.55 -0.81 0.00 0.00 175.30 178.27 2ooq n VAL 1146N 3.42 1.15 -1.96 7.11 3.14 -1.26 -3.31 118.33 126.61 2ooq n VAL 1146Ca -0.17 -0.29 -0.17 0.00 -2.96 0.00 0.00 64.34 60.75 2ooq n VAL 1146Cb 0.56 -1.70 -0.04 0.00 -1.06 0.00 0.00 33.84 31.60 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 1.93 -4.78 -4.70 6.55 3.02 -1.26 -4.81 115.26 111.21 2ooq n ASN 1147Ca 0.09 0.25 -0.44 0.00 -0.03 0.00 0.00 54.58 54.45 2ooq n ASN 1147Cb 0.34 -4.15 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 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 -2.53 3.61 -2.43 3.41 4.77 -1.21 -3.01 117.00 119.61 2ooq n LEU 1148Ca -0.19 1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.87 2ooq n LEU 1148Cb 0.61 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2ooq n LEU 1148CO 0.25 -0.06 -0.30 0.52 -1.33 0.00 0.00 177.39 176.47 2ooq n VAL 1149N 3.40 -9.44 0.62 4.08 0.31 -0.61 -4.74 118.33 111.96 2ooq n VAL 1149Ca 0.15 1.27 0.11 0.00 -0.01 0.00 0.00 64.34 65.86 2ooq n VAL 1149Cb 0.32 -6.26 -0.00 0.00 -0.91 0.00 0.00 33.84 26.99 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 0.37 0.25 -4.27 5.55 7.27 -1.16 -4.86 117.38 120.53 2ooq n GLN 1150Ca 0.02 -0.02 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 2ooq n GLN 1150Cb 0.06 -1.57 -0.10 0.00 2.41 0.00 0.00 30.24 31.05 2ooq n GLN 1150CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2ooq s THR 1151N -3.18 1.17 0.21 1.69 -4.23 -1.26 -5.04 115.64 105.01 2ooq s THR 1151Ca 0.04 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 2ooq s THR 1151Cb 0.15 -1.96 0.16 0.00 1.34 0.00 0.00 72.50 72.19 2ooq s THR 1151CO 0.82 -0.65 1.84 -0.08 -0.54 0.00 0.00 174.62 176.01 2ooq h GLU 1152N 2.70 1.06 -0.70 3.99 4.81 -1.98 -1.55 114.58 122.91 2ooq h GLU 1152Ca -0.37 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2ooq h GLU 1152Cb 1.20 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2ooq h GLU 1152CO 0.64 0.76 0.44 1.49 -0.73 0.00 0.00 179.01 181.61 2ooq h GLU 1153N 1.07 0.83 -0.80 1.92 4.81 -1.99 -1.07 114.58 119.34 2ooq h GLU 1153Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2ooq h GLU 1153Cb -0.01 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 2ooq h GLU 1153CO -0.05 0.55 0.49 1.96 -0.73 0.00 0.00 179.01 181.23 2ooq h GLN 1154N 0.86 1.09 -0.71 1.92 4.20 -1.85 -0.26 115.11 120.35 2ooq h GLN 1154Ca 0.28 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.90 2ooq h GLN 1154Cb 0.02 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 2ooq h GLN 1154CO -0.11 0.76 0.47 -0.92 -0.67 0.00 0.00 178.83 178.36 2ooq h TYR 1155N 1.10 0.89 -0.47 2.96 3.20 -0.49 -0.63 116.97 123.54 2ooq h TYR 1155Ca 0.29 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 2ooq h TYR 1155Cb -0.05 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 2ooq h TYR 1155CO -0.01 0.55 -0.17 0.28 -1.64 0.00 0.00 178.16 177.18 2ooq h VAL 1156N 0.95 1.27 -0.93 1.81 2.07 -1.01 -2.85 116.25 117.56 2ooq h VAL 1156Ca 0.26 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.54 2ooq h VAL 1156Cb -0.10 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2ooq h VAL 1156CO -0.06 0.45 0.59 0.15 0.02 0.00 0.00 177.57 178.72 2ooq h PHE 1157N 0.78 1.09 -0.75 1.57 3.57 -0.66 -0.59 116.94 121.94 2ooq h PHE 1157Ca 0.11 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2ooq h PHE 1157Cb 0.73 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2ooq h PHE 1157CO 0.05 0.55 0.46 0.28 -2.23 0.00 0.00 178.31 177.42 2ooq h VAL 1158N 1.06 1.06 0.26 1.41 2.07 -0.90 0.73 116.25 121.94 2ooq h VAL 1158Ca 0.41 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2ooq h VAL 1158Cb 0.19 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2ooq h VAL 1158CO -0.18 0.16 -0.13 0.45 0.02 0.00 0.00 177.57 177.89 2ooq h HIS 1159N 0.87 -0.33 -0.69 1.57 3.86 -1.14 -1.84 115.15 117.45 2ooq h HIS 1159Ca 0.31 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.59 2ooq h HIS 1159Cb 0.08 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 2ooq h HIS 1159CO -0.04 -0.17 0.37 -0.44 0.86 0.00 0.00 177.93 178.50 2ooq h ASP 1160N -0.39 0.52 -0.25 2.45 3.32 -0.66 -0.02 116.42 121.39 2ooq h ASP 1160Ca -0.04 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2ooq h ASP 1160Cb 0.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ooq h ASP 1160CO 0.06 0.32 0.07 0.00 -1.72 0.00 0.00 179.24 177.97 2ooq h ALA 1161N 1.38 0.33 -0.45 3.45 0.00 -0.83 -1.12 119.26 122.02 2ooq h ALA 1161Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ooq h ALA 1161Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ooq h ALA 1161CO -0.22 -0.03 0.23 0.82 0.00 0.00 0.00 179.25 180.04 2ooq h ILE 1162N 0.24 1.18 -0.44 0.00 2.04 -1.10 -1.42 117.51 118.00 2ooq h ILE 1162Ca 0.08 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2ooq h ILE 1162Cb 0.25 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2ooq h ILE 1162CO -0.00 0.19 0.23 0.25 0.00 0.00 0.00 178.15 178.82 2ooq h LEU 1163N 0.59 0.34 -0.39 1.44 5.85 -0.92 -0.54 115.31 121.68 2ooq h LEU 1163Ca 0.16 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2ooq h LEU 1163Cb 0.10 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2ooq h LEU 1163CO -0.02 0.25 0.15 -0.08 -0.34 0.00 0.00 178.44 178.40 2ooq h GLU 1164N 0.46 0.31 -0.97 1.25 4.81 -0.73 0.01 114.58 119.72 2ooq h GLU 1164Ca 0.19 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.53 2ooq h GLU 1164Cb 0.08 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 2ooq h GLU 1164CO -0.12 0.21 0.59 0.00 -0.73 0.00 0.00 179.01 178.96 2ooq h ALA 1165N 1.24 1.49 0.00 2.92 0.00 -0.66 -1.18 119.26 123.07 2ooq h ALA 1165Ca 0.18 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2ooq h ALA 1165Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ooq h ALA 1165CO -0.17 0.13 -0.37 0.00 0.00 0.00 0.00 179.25 178.84 2ooq h LEU 1167N 0.00 0.01 0.00 0.00 3.38 0.06 -3.51 115.31 115.24 2ooq h LEU 1167Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2ooq h LEU 1167Cb 1.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2ooq h LEU 1167CO 0.05 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.33