#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdm n ILE 890 N 0.00 0.12 -2.80 3.15 5.41 -0.88 -4.93 119.36 119.43 1sdm n ILE 890 Ca 0.00 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.39 1sdm n ILE 890 Cb 0.00 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 36.89 1sdm n ILE 890 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1sdm s ARG 891 N 1.65 4.27 -0.06 0.38 3.00 -0.50 -4.43 118.95 123.27 1sdm s ARG 891 Ca 0.78 1.16 -0.02 0.00 0.00 0.00 0.00 55.73 57.65 1sdm s ARG 891 Cb -0.52 -2.28 0.04 0.00 0.00 0.00 0.00 34.95 32.19 1sdm s ARG 891 CO 0.35 0.01 0.11 0.08 0.00 0.00 0.00 175.30 175.84 1sdm s VAL 892 N -2.08 -0.14 -0.09 3.52 1.01 -1.26 -1.13 120.40 120.22 1sdm s VAL 892 Ca 0.60 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1sdm s VAL 892 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1sdm s VAL 892 CO 0.15 0.13 -0.10 -0.31 0.00 0.00 0.00 175.10 174.98 1sdm s TYR 893 N 1.83 2.87 -0.16 5.22 2.02 0.56 -1.28 117.35 128.41 1sdm s TYR 893 Ca -0.01 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1sdm s TYR 893 Cb -0.12 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1sdm s TYR 893 CO -0.05 0.11 0.07 0.00 -1.57 0.00 0.00 175.55 174.11 1sdm s ARG 895 N -0.04 1.56 0.36 0.00 3.52 -0.49 -0.57 118.95 123.28 1sdm s ARG 895 Ca 0.07 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 54.97 1sdm s ARG 895 Cb -0.12 -2.13 -0.06 0.00 -1.56 0.00 0.00 34.95 31.08 1sdm s ARG 895 CO 0.01 -0.45 0.68 -0.51 -0.81 0.00 0.00 175.30 174.22 1sdm s LEU 896 N 1.57 3.93 0.16 -0.88 1.43 -0.05 -2.12 118.68 122.72 1sdm s LEU 896 Ca -0.00 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 1sdm s LEU 896 Cb -0.16 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1sdm s LEU 896 CO -0.08 -0.31 -0.17 0.00 0.23 0.00 0.00 176.35 176.02 1sdm s ARG 897 N -3.73 1.25 1.01 1.70 1.70 -1.23 -3.61 118.95 116.04 1sdm s ARG 897 Ca 0.48 -1.41 -0.15 0.00 -0.47 0.00 0.00 55.73 54.19 1sdm s ARG 897 Cb -0.10 -1.24 0.19 0.00 -0.57 0.00 0.00 34.95 33.23 1sdm s ARG 897 CO 0.31 0.25 1.15 -1.25 -1.08 0.00 0.00 175.30 174.67 1sdm s PRO 898 N -2.89 0.34 0.37 3.89 0.04 -1.26 -4.37 135.00 131.12 1sdm s PRO 898 Ca 0.16 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.06 1sdm s PRO 898 Cb -0.05 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 1sdm s PRO 898 CO 0.06 -2.71 1.21 -0.51 0.04 0.00 0.00 177.00 175.10 1sdm s LEU 899 N -6.31 4.29 0.58 -3.56 1.43 -1.26 -4.87 118.68 108.99 1sdm s LEU 899 Ca 0.67 2.46 0.03 0.00 -1.03 0.00 0.00 54.13 56.27 1sdm s LEU 899 Cb -0.12 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.29 1sdm s LEU 899 CO 0.55 -0.61 0.81 0.00 0.23 0.00 0.00 176.35 177.33 1sdm h GLU 901 N 0.00 -0.34 -0.88 0.00 4.81 -1.99 -1.60 114.58 114.59 1sdm h GLU 901 Ca -0.38 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1sdm h GLU 901 Cb 1.28 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.64 1sdm h GLU 901 CO 0.46 -0.22 0.46 0.87 -0.73 0.00 0.00 179.01 179.84 1sdm h LYS 902 N -0.35 0.61 -0.07 1.92 1.57 -1.98 0.18 116.57 118.45 1sdm h LYS 902 Ca 0.12 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1sdm h LYS 902 Cb 0.55 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1sdm h LYS 902 CO -0.42 0.41 -0.56 0.93 -0.57 0.00 0.00 179.45 179.23 1sdm h GLU 903 N 0.63 0.20 -0.10 3.15 5.08 -1.79 -1.66 114.58 120.09 1sdm h GLU 903 Ca 0.49 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.52 1sdm h GLU 903 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1sdm h GLU 903 CO -0.38 0.71 -0.75 0.82 -1.00 0.00 0.00 179.01 178.41 1sdm h ILE 904 N 0.16 1.35 0.00 3.13 2.04 -0.15 0.20 117.51 124.24 1sdm h ILE 904 Ca -0.00 -2.09 -0.09 0.00 1.00 0.00 0.00 64.86 63.67 1sdm h ILE 904 Cb 1.03 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1sdm h ILE 904 CO 0.08 0.64 -0.43 0.40 0.00 0.00 0.00 178.15 178.84 1sdm h ILE 905 N 0.36 1.22 -0.14 -0.67 1.08 -0.58 -1.50 117.51 117.28 1sdm h ILE 905 Ca -0.04 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 1sdm h ILE 905 Cb 1.34 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 1sdm h ILE 905 CO 0.14 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 178.02 1sdm n ALA 906 N -2.42 2.53 -3.45 1.87 0.00 -0.64 -4.92 120.51 113.49 1sdm n ALA 906 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 1sdm n ALA 906 Cb 0.48 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.85 1sdm n ALA 906 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sdm n LYS 907 N 0.07 -6.19 -2.71 0.00 5.02 -0.56 -4.98 118.16 108.81 1sdm n LYS 907 Ca 0.15 0.79 -0.39 0.00 -2.02 0.00 0.00 58.31 56.83 1sdm n LYS 907 Cb 0.26 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.48 1sdm n LYS 907 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sdm s GLU 908 N -6.15 4.74 0.18 1.97 0.41 0.67 -5.02 118.70 115.49 1sdm s GLU 908 Ca 0.50 1.49 0.08 0.00 -0.41 0.00 0.00 54.97 56.63 1sdm s GLU 908 Cb -0.23 -3.12 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 1sdm s GLU 908 CO 0.62 0.40 -0.08 -0.98 -0.49 0.00 0.00 175.26 174.72 1sdm s ARG 909 N -1.48 2.13 0.04 1.61 1.70 -1.26 -4.67 118.95 117.01 1sdm s ARG 909 Ca 0.44 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 1sdm s ARG 909 Cb -0.25 -2.20 -0.08 0.00 -0.57 0.00 0.00 34.95 31.85 1sdm s ARG 909 CO 0.31 0.44 1.76 1.21 -1.08 0.00 0.00 175.30 177.94 1sdm s ASN 910 N -2.83 6.55 0.00 -2.89 2.47 -1.26 -2.11 114.94 114.87 1sdm s ASN 910 Ca 0.25 2.52 0.06 0.00 0.42 0.00 0.00 52.86 56.11 1sdm s ASN 910 Cb -0.09 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.11 1sdm s ASN 910 CO 0.16 -0.96 0.27 0.00 -3.72 0.00 0.00 177.10 172.85 1sdm n ALA 911 N 6.43 2.73 -2.39 1.71 0.00 -0.59 -4.91 120.51 123.50 1sdm n ALA 911 Ca 0.17 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1sdm n ALA 911 Cb 0.41 -0.21 -0.15 0.00 0.00 0.00 0.00 19.45 19.50 1sdm n ALA 911 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sdm s ILE 912 N -1.48 2.48 0.02 0.00 -1.09 -1.25 -4.03 121.20 115.85 1sdm s ILE 912 Ca 0.02 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1sdm s ILE 912 Cb 0.04 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 1sdm s ILE 912 CO 0.23 0.58 0.04 -0.60 -1.23 0.00 0.00 174.94 173.96 1sdm s ARG 913 N -0.65 0.40 -0.27 2.79 6.06 -0.47 -4.94 118.95 121.87 1sdm s ARG 913 Ca 0.10 -0.57 -0.20 0.00 -2.50 0.00 0.00 55.73 52.56 1sdm s ARG 913 Cb -0.10 0.16 -0.02 0.00 0.06 0.00 0.00 34.95 35.05 1sdm s ARG 913 CO -0.00 -0.08 0.61 0.45 -2.50 0.00 0.00 175.30 173.78 1sdm s SER 914 N -1.54 6.53 0.00 -2.12 0.15 -1.26 -1.01 113.70 114.44 1sdm s SER 914 Ca -0.14 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1sdm s SER 914 Cb -0.08 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1sdm s SER 914 CO -0.01 -0.40 0.17 0.52 1.20 0.00 0.00 173.24 174.72 1sdm n VAL 915 N 5.26 0.00 -3.82 4.45 0.31 -0.11 -4.97 118.33 119.46 1sdm n VAL 915 Ca -0.01 0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 64.70 1sdm n VAL 915 Cb 0.49 -0.84 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1sdm n VAL 915 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1sdm n ASP 916 N -0.38 1.64 0.00 4.52 5.68 -1.24 -4.96 116.55 121.82 1sdm n ASP 916 Ca 0.00 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1sdm n ASP 916 Cb 0.00 0.01 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1sdm n ASP 916 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1sdm n GLU 917 N -0.25 0.70 0.00 0.11 2.13 -1.26 -2.79 120.64 119.28 1sdm n GLU 917 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sdm n GLU 917 Cb 0.02 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.73 1sdm n GLU 917 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1sdm n PHE 918 N -0.50 0.00 -4.30 4.31 3.01 -1.26 -1.58 117.46 117.14 1sdm n PHE 918 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1sdm n PHE 918 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 1sdm n PHE 918 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1sdm s THR 919 N -0.05 1.14 -0.02 4.37 2.01 -1.12 -1.20 115.64 120.77 1sdm s THR 919 Ca 0.00 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 60.92 1sdm s THR 919 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1sdm s THR 919 CO 0.00 -0.07 -0.13 0.54 -0.69 0.00 0.00 174.62 174.27 1sdm s VAL 920 N -1.00 1.06 0.04 3.82 0.11 -0.26 -0.93 120.40 123.24 1sdm s VAL 920 Ca 0.01 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1sdm s VAL 920 Cb -0.09 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1sdm s VAL 920 CO 0.02 0.31 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.31 1sdm s GLU 921 N -0.15 0.58 0.08 1.54 2.12 -0.18 -0.55 118.70 122.14 1sdm s GLU 921 Ca 0.02 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 54.38 1sdm s GLU 921 Cb -0.07 -0.41 0.06 0.00 0.26 0.00 0.00 34.13 33.97 1sdm s GLU 921 CO 0.00 0.08 0.56 -3.38 -0.54 0.00 0.00 175.26 171.98 1sdm s HIS 922 N -1.25 -0.47 0.05 5.30 -3.43 -0.87 -1.37 115.29 113.25 1sdm s HIS 922 Ca -0.07 0.46 -0.31 0.00 -0.80 0.00 0.00 55.06 54.34 1sdm s HIS 922 Cb -0.09 0.41 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1sdm s HIS 922 CO 0.01 -0.71 1.19 -0.48 -2.00 0.00 0.00 174.74 172.74 1sdm s LEU 923 N -2.20 4.37 -0.25 5.38 2.34 -1.26 -1.18 118.68 125.88 1sdm s LEU 923 Ca -0.03 1.99 -0.03 0.00 0.06 0.00 0.00 54.13 56.12 1sdm s LEU 923 Cb -0.00 -3.58 0.08 0.00 -0.56 0.00 0.00 46.19 42.13 1sdm s LEU 923 CO -0.05 -0.46 0.09 0.86 -1.06 0.00 0.00 176.35 175.73 1sdm s TRP 924 N 1.10 0.93 -0.58 3.48 -0.11 -0.68 -4.86 118.94 118.22 1sdm s TRP 924 Ca 0.58 -1.06 -0.12 0.00 1.22 0.00 0.00 56.10 56.72 1sdm s TRP 924 Cb -0.29 -1.15 0.02 0.00 -1.50 0.00 0.00 33.47 30.55 1sdm s TRP 924 CO 0.29 -0.74 0.23 1.63 -4.62 0.00 0.00 176.95 173.74 1sdm n LYS 925 N 5.07 -0.74 0.00 5.86 4.01 -1.26 -4.59 118.16 126.51 1sdm n LYS 925 Ca -0.06 -0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.54 1sdm n LYS 925 Cb 0.44 -0.81 0.00 0.00 -0.51 0.00 0.00 35.03 34.16 1sdm n LYS 925 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1sdm n ASP 926 N -0.60 0.00 -0.96 4.39 -0.08 -1.26 -5.00 116.55 113.04 1sdm n ASP 926 Ca -0.07 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.20 1sdm n ASP 926 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1sdm n ASP 926 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1sdm n ASP 927 N -1.02 -0.14 -3.85 1.67 2.03 -1.26 -5.14 116.55 108.84 1sdm n ASP 927 Ca 0.00 -0.58 -0.12 0.00 0.52 0.00 0.00 54.79 54.62 1sdm n ASP 927 Cb 0.00 0.05 -0.11 0.00 -0.72 0.00 0.00 41.12 40.34 1sdm n ASP 927 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1sdm s LYS 928 N 0.01 0.38 0.09 -0.67 3.01 -1.26 -5.07 119.74 116.22 1sdm s LYS 928 Ca 0.00 -0.17 -0.22 0.00 -1.01 0.00 0.00 55.97 54.57 1sdm s LYS 928 Cb 0.02 0.16 -0.07 0.00 -1.01 0.00 0.00 37.83 36.94 1sdm s LYS 928 CO -0.01 -0.08 0.67 0.00 0.51 0.00 0.00 175.35 176.44 1sdm s ALA 929 N -0.85 3.50 -0.08 5.17 0.00 -1.26 -1.69 121.76 126.54 1sdm s ALA 929 Ca -0.09 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1sdm s ALA 929 Cb -0.05 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1sdm s ALA 929 CO 0.01 0.28 -0.08 0.21 0.00 0.00 0.00 175.76 176.18 1sdm s LYS 930 N -0.84 2.91 0.13 0.00 2.20 -0.33 -4.86 119.74 118.95 1sdm s LYS 930 Ca 0.33 -0.58 0.10 0.00 -0.36 0.00 0.00 55.97 55.45 1sdm s LYS 930 Cb -0.21 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1sdm s LYS 930 CO 0.22 0.55 -0.21 -0.65 -0.36 0.00 0.00 175.35 174.90 1sdm s GLN 931 N -0.51 1.67 -0.03 4.03 -0.21 -1.26 -2.05 119.66 121.29 1sdm s GLN 931 Ca 0.07 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.21 1sdm s GLN 931 Cb -0.12 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.87 1sdm s GLN 931 CO 0.02 0.46 -0.09 -1.01 -2.12 0.00 0.00 175.29 172.56 1sdm s HIS 932 N -1.20 0.98 -0.11 0.91 3.76 0.29 -4.98 115.29 114.94 1sdm s HIS 932 Ca 0.17 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1sdm s HIS 932 Cb -0.10 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1sdm s HIS 932 CO 0.09 -0.14 -0.08 -1.64 -0.85 0.00 0.00 174.74 172.12 1sdm s MET 933 N 0.41 3.19 0.41 1.40 -1.94 -1.26 -1.11 119.30 120.41 1sdm s MET 933 Ca -0.07 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.39 1sdm s MET 933 Cb -0.11 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 1sdm s MET 933 CO 0.01 0.42 0.17 0.71 -0.01 0.00 0.00 175.02 176.32 1sdm s TYR 934 N -0.15 1.78 -0.89 -0.03 2.02 -0.34 -4.97 117.35 114.76 1sdm s TYR 934 Ca 0.02 -1.41 0.23 0.00 -0.37 0.00 0.00 57.07 55.53 1sdm s TYR 934 Cb -0.13 -1.07 0.92 0.00 -0.40 0.00 0.00 41.96 41.28 1sdm s TYR 934 CO 0.03 -0.45 1.71 -0.25 -1.57 0.00 0.00 175.55 175.02 1sdm n ASP 935 N -1.49 0.20 -3.65 2.29 9.92 -0.40 -4.73 116.55 118.68 1sdm n ASP 935 Ca -0.04 0.53 -0.03 0.00 -0.53 0.00 0.00 54.79 54.72 1sdm n ASP 935 Cb 0.64 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 40.47 1sdm n ASP 935 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1sdm s ARG 936 N -3.06 0.15 -0.12 -1.24 6.06 -1.24 -4.94 118.95 114.57 1sdm s ARG 936 Ca 0.10 0.20 0.01 0.00 -2.50 0.00 0.00 55.73 53.54 1sdm s ARG 936 Cb 0.13 0.06 0.02 0.00 0.06 0.00 0.00 34.95 35.22 1sdm s ARG 936 CO 0.42 -0.02 -0.15 0.08 -2.50 0.00 0.00 175.30 173.13 1sdm s VAL 937 N 0.32 1.55 -0.21 7.11 1.01 -0.62 -0.71 120.40 128.86 1sdm s VAL 937 Ca 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1sdm s VAL 937 Cb -0.04 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1sdm s VAL 937 CO -0.13 0.45 0.05 -0.36 0.00 0.00 0.00 175.10 175.11 1sdm s PHE 938 N 1.10 3.14 0.86 5.22 0.08 0.26 -4.67 117.98 123.97 1sdm s PHE 938 Ca -0.04 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.69 1sdm s PHE 938 Cb -0.14 -2.13 0.12 0.00 -0.57 0.00 0.00 43.02 40.30 1sdm s PHE 938 CO -0.04 -0.10 1.19 0.16 -0.10 0.00 0.00 175.22 176.33 1sdm s ASP 939 N 0.90 3.98 0.59 1.36 -4.77 -1.26 -0.88 116.67 116.60 1sdm s ASP 939 Ca 0.03 0.75 0.29 0.00 -3.30 0.00 0.00 52.55 50.31 1sdm s ASP 939 Cb -0.14 -1.19 1.53 0.00 -1.09 0.00 0.00 42.92 42.03 1sdm s ASP 939 CO 0.02 -2.23 1.95 1.23 0.70 0.00 0.00 175.17 176.85 1sdm h GLY 940 N -1.28 0.00 1.80 2.12 0.00 -1.84 0.25 103.07 104.12 1sdm h GLY 940 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1sdm h GLY 940 CO 0.60 0.00 -0.14 0.70 0.00 0.00 0.00 176.54 177.70 1sdm n ASN 941 N -3.71 0.76 -4.68 0.19 3.02 -1.26 -4.28 115.26 105.29 1sdm n ASN 941 Ca 0.06 0.46 -0.50 0.00 -0.03 0.00 0.00 54.58 54.57 1sdm n ASN 941 Cb 0.56 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1sdm n ASN 941 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdm n ALA 942 N -1.78 0.62 -1.93 5.41 0.00 0.08 -4.94 120.51 117.97 1sdm n ALA 942 Ca 0.05 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 1sdm n ALA 942 Cb 0.43 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.59 1sdm n ALA 942 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sdm s THR 943 N 3.45 2.10 0.29 0.00 -4.23 -1.26 -4.91 115.64 111.08 1sdm s THR 943 Ca 0.92 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1sdm s THR 943 Cb -0.78 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.21 1sdm s THR 943 CO 0.53 0.00 1.78 1.56 -0.54 0.00 0.00 174.62 177.95 1sdm h GLN 944 N -1.03 0.63 -0.42 3.99 1.08 -1.92 -2.09 115.11 115.36 1sdm h GLN 944 Ca -0.44 -0.18 -0.15 0.00 -1.45 0.00 0.00 58.65 56.43 1sdm h GLN 944 Cb 1.29 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1sdm h GLN 944 CO 0.53 0.71 -0.34 0.22 -0.95 0.00 0.00 178.83 179.00 1sdm h ASP 945 N 0.59 1.02 -0.66 1.46 3.58 -1.93 -1.53 116.42 118.94 1sdm h ASP 945 Ca 0.11 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 1sdm h ASP 945 Cb 0.48 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1sdm h ASP 945 CO 0.03 1.25 0.32 0.44 -2.88 0.00 0.00 179.24 178.39 1sdm h ASP 946 N 0.80 0.89 -0.22 2.28 3.32 -1.86 -0.56 116.42 121.06 1sdm h ASP 946 Ca 0.08 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1sdm h ASP 946 Cb 0.93 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1sdm h ASP 946 CO 0.09 0.76 -0.28 0.58 -1.72 0.00 0.00 179.24 178.67 1sdm h VAL 947 N 0.97 1.32 -0.16 -1.35 2.07 -1.23 -3.05 116.25 114.83 1sdm h VAL 947 Ca 0.24 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 1sdm h VAL 947 Cb 0.12 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1sdm h VAL 947 CO -0.03 0.46 -0.16 0.15 0.02 0.00 0.00 177.57 178.01 1sdm h PHE 948 N 0.28 0.28 -0.82 1.57 3.57 -1.09 -2.61 116.94 118.11 1sdm h PHE 948 Ca 0.03 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1sdm h PHE 948 Cb 0.85 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1sdm h PHE 948 CO 0.08 0.42 0.46 1.49 -2.23 0.00 0.00 178.31 178.53 1sdm h GLU 949 N 0.25 0.72 -0.12 1.11 4.57 -0.99 0.19 114.58 120.31 1sdm h GLU 949 Ca 0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sdm h GLU 949 Cb 0.43 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1sdm h GLU 949 CO 0.03 0.48 0.00 -0.25 -1.18 0.00 0.00 179.01 178.08 1sdm n ASP 950 N -4.78 1.43 0.00 1.04 8.00 -0.99 -3.96 116.55 117.29 1sdm n ASP 950 Ca 0.14 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1sdm n ASP 950 Cb 0.31 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1sdm n ASP 950 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sdm n THR 951 N 0.15 0.00 -0.33 -3.53 -2.24 -0.74 -4.79 114.28 102.80 1sdm n THR 951 Ca 0.17 -0.06 0.24 0.00 -2.27 0.00 0.00 64.05 62.13 1sdm n THR 951 Cb 0.30 0.53 0.46 0.00 -2.10 0.00 0.00 70.33 69.53 1sdm n THR 951 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1sdm h LYS 952 N 0.00 0.05 -0.05 -0.78 3.64 -0.79 -0.24 116.57 118.40 1sdm h LYS 952 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sdm h LYS 952 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1sdm h LYS 952 CO 0.00 0.03 0.04 0.10 -2.27 0.00 0.00 179.45 177.36 1sdm h TYR 953 N 0.05 0.00 0.00 1.91 -0.00 -1.85 -1.76 116.97 115.32 1sdm h TYR 953 Ca 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.46 1sdm h TYR 953 Cb 1.79 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.52 1sdm h TYR 953 CO -0.18 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.16 177.85 1sdm h LEU 954 N 0.00 0.00 -0.36 0.10 -0.00 -1.41 -2.56 115.31 111.08 1sdm h LEU 954 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.84 1sdm h LEU 954 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1sdm h LEU 954 CO -0.00 0.07 -0.00 0.58 -0.00 0.00 0.00 178.44 179.08 1sdm h VAL 955 N 0.00 1.26 -0.40 1.22 2.07 -1.49 -2.04 116.25 116.86 1sdm h VAL 955 Ca -0.00 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1sdm h VAL 955 Cb 0.13 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1sdm h VAL 955 CO 0.01 0.33 0.14 -0.61 0.02 0.00 0.00 177.57 177.45 1sdm h GLN 956 N 0.45 0.57 -0.55 1.57 5.75 -1.61 -1.29 115.11 120.00 1sdm h GLN 956 Ca 0.10 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1sdm h GLN 956 Cb 0.46 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1sdm h GLN 956 CO 0.02 0.50 0.23 0.77 -2.65 0.00 0.00 178.83 177.69 1sdm h SER 957 N 0.57 0.72 0.07 -0.69 0.02 -1.12 -1.09 113.55 112.03 1sdm h SER 957 Ca 0.14 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1sdm h SER 957 Cb 0.15 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1sdm h SER 957 CO -0.01 0.65 -0.03 0.00 -1.14 0.00 0.00 176.83 176.29 1sdm h ALA 958 N 1.46 -0.09 0.00 3.77 0.00 -0.56 -1.84 119.26 122.00 1sdm h ALA 958 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sdm h ALA 958 Cb 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sdm h ALA 958 CO -0.02 -0.35 -0.06 -0.39 0.00 0.00 0.00 179.25 178.43 1sdm h VAL 959 N -0.49 0.61 0.00 0.00 -1.51 -1.27 0.24 116.25 113.83 1sdm h VAL 959 Ca -0.01 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1sdm h VAL 959 Cb 0.42 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1sdm h VAL 959 CO 0.02 0.06 0.00 0.47 -1.23 0.00 0.00 177.57 176.88 1sdm n ASP 960 N -3.85 0.21 0.00 4.19 10.43 -0.43 -4.79 116.55 122.31 1sdm n ASP 960 Ca -0.03 0.55 0.00 0.00 2.57 0.00 0.00 54.79 57.89 1sdm n ASP 960 Cb 0.15 -0.60 0.00 0.00 1.84 0.00 0.00 41.12 42.51 1sdm n ASP 960 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sdm n GLY 961 N -0.08 1.03 3.89 0.44 0.00 0.83 -4.83 105.19 106.47 1sdm n GLY 961 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1sdm n GLY 961 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sdm s TYR 962 N -2.00 3.51 -0.44 1.61 2.02 -0.71 -0.86 117.35 120.48 1sdm s TYR 962 Ca 0.00 0.89 -0.18 0.00 -0.37 0.00 0.00 57.07 57.41 1sdm s TYR 962 Cb 0.00 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1sdm s TYR 962 CO 0.00 -0.15 0.48 1.21 -1.57 0.00 0.00 175.55 175.51 1sdm s ASN 963 N -3.61 6.20 -0.11 2.29 2.47 -1.26 -1.17 114.94 119.76 1sdm s ASN 963 Ca 0.49 -0.75 -0.02 0.00 0.42 0.00 0.00 52.86 52.99 1sdm s ASN 963 Cb -0.10 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.43 1sdm s ASN 963 CO 0.37 -0.65 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.38 1sdm s VAL 964 N 2.22 3.97 -0.05 -5.21 1.01 0.12 0.19 120.40 122.64 1sdm s VAL 964 Ca 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1sdm s VAL 964 Cb -0.18 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1sdm s VAL 964 CO 0.13 0.56 -0.04 0.00 0.00 0.00 0.00 175.10 175.75 1sdm s ILE 966 N 1.16 1.78 0.13 0.00 1.01 0.00 -1.85 121.20 123.42 1sdm s ILE 966 Ca -0.07 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.60 1sdm s ILE 966 Cb -0.14 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1sdm s ILE 966 CO -0.01 0.23 -0.17 0.72 0.00 0.00 0.00 174.94 175.71 1sdm s PHE 967 N 1.35 1.64 -0.03 3.97 -0.12 -0.92 -1.28 117.98 122.58 1sdm s PHE 967 Ca -0.01 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 1sdm s PHE 967 Cb -0.16 -0.85 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1sdm s PHE 967 CO -0.09 0.22 -0.10 0.00 -0.05 0.00 0.00 175.22 175.21 1sdm s ALA 968 N -1.81 2.88 0.01 1.99 0.00 -0.43 -0.63 121.76 123.76 1sdm s ALA 968 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1sdm s ALA 968 Cb -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1sdm s ALA 968 CO 0.05 0.58 -0.02 -0.47 0.00 0.00 0.00 175.76 175.90 1sdm s TYR 969 N -0.85 0.17 0.00 0.00 6.14 0.25 -3.23 117.35 119.83 1sdm s TYR 969 Ca 0.14 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.70 1sdm s TYR 969 Cb -0.11 -0.11 0.00 0.00 0.42 0.00 0.00 41.96 42.16 1sdm s TYR 969 CO 0.03 -0.04 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1sdm n GLY 970 N 2.66 2.04 3.74 8.97 0.00 -1.26 -0.38 105.19 120.96 1sdm n GLY 970 Ca -0.15 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1sdm n GLY 970 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sdm s GLN 971 N -1.98 1.69 0.22 1.61 -2.07 -1.26 -1.98 119.66 115.89 1sdm s GLN 971 Ca 0.00 1.00 -0.31 0.00 -1.82 0.00 0.00 55.36 54.22 1sdm s GLN 971 Cb 0.00 -1.84 -0.11 0.00 -1.09 0.00 0.00 33.01 29.96 1sdm s GLN 971 CO 0.00 -1.99 1.65 0.99 -1.32 0.00 0.00 175.29 174.62 1sdm s THR 972 N -2.91 2.16 0.00 3.63 2.01 -1.26 -1.75 115.64 117.52 1sdm s THR 972 Ca 0.62 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1sdm s THR 972 Cb -0.18 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1sdm s THR 972 CO 0.57 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 1sdm n GLY 973 N 3.42 0.76 0.17 4.40 0.00 -1.26 -4.94 105.19 107.73 1sdm n GLY 973 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1sdm n GLY 973 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sdm h SER 974 N 0.00 0.00 0.00 1.61 4.64 -1.66 -3.48 113.55 114.66 1sdm h SER 974 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sdm h SER 974 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sdm h SER 974 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1sdm n GLY 975 N 0.54 1.23 0.25 -0.77 0.00 -1.26 -4.25 105.19 100.92 1sdm n GLY 975 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sdm n GLY 975 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdm h LYS 976 N 0.00 -0.34 -0.42 1.61 1.57 -1.92 -1.14 116.57 115.94 1sdm h LYS 976 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1sdm h LYS 976 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1sdm h LYS 976 CO 0.00 -0.22 -0.15 1.15 -0.57 0.00 0.00 179.45 179.66 1sdm h THR 977 N -0.35 1.26 -0.82 -0.16 2.02 -1.96 -0.57 112.91 112.33 1sdm h THR 977 Ca 0.05 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1sdm h THR 977 Cb 0.42 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1sdm h THR 977 CO -0.18 0.42 0.48 0.15 0.37 0.00 0.00 175.52 176.75 1sdm h PHE 978 N 0.70 1.10 0.02 3.16 3.04 -1.79 0.27 116.94 123.42 1sdm h PHE 978 Ca 0.11 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1sdm h PHE 978 Cb 0.64 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1sdm h PHE 978 CO 0.03 0.75 -0.01 1.15 -2.02 0.00 0.00 178.31 178.21 1sdm h THR 979 N 1.13 1.36 0.04 4.41 2.02 -0.90 -0.48 112.91 120.49 1sdm h THR 979 Ca 0.29 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1sdm h THR 979 Cb -0.01 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1sdm h THR 979 CO -0.05 0.30 -0.02 0.40 0.37 0.00 0.00 175.52 176.52 1sdm h ILE 980 N -0.53 1.29 0.00 3.11 1.08 -0.99 -1.44 117.51 120.02 1sdm h ILE 980 Ca -0.00 -1.08 -0.26 0.00 -0.39 0.00 0.00 64.86 63.13 1sdm h ILE 980 Cb 0.51 2.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.21 1sdm h ILE 980 CO 0.00 0.27 -1.97 -1.22 -0.69 0.00 0.00 178.15 174.55 1sdm n TYR 981 N -4.89 0.00 -4.23 1.37 4.02 0.73 -0.84 117.16 113.32 1sdm n TYR 981 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1sdm n TYR 981 Cb 0.25 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 1sdm n TYR 981 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sdm n GLY 982 N 2.43 -1.12 3.63 2.72 0.00 -0.01 -0.77 105.19 112.06 1sdm n GLY 982 Ca -0.27 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1sdm n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdm s ALA 983 N -1.23 3.21 0.21 4.61 0.00 0.18 -4.71 121.76 124.02 1sdm s ALA 983 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.70 1sdm s ALA 983 Cb 0.00 -0.15 0.22 0.00 0.00 0.00 0.00 23.12 23.19 1sdm s ALA 983 CO 0.00 -0.02 1.62 -0.44 0.00 0.00 0.00 175.76 176.91 1sdm h ASP 984 N 1.78 -0.70 0.43 0.00 5.19 -2.00 -2.04 116.42 119.08 1sdm h ASP 984 Ca -0.43 0.20 -0.30 0.00 -0.62 0.00 0.00 57.03 55.88 1sdm h ASP 984 Cb 1.25 0.43 0.02 0.00 0.18 0.00 0.00 39.33 41.21 1sdm h ASP 984 CO 0.72 -0.23 -1.31 0.77 -3.12 0.00 0.00 179.24 176.07 1sdm h SER 985 N -0.04 0.63 -2.96 6.45 4.64 -2.00 -3.40 113.55 116.88 1sdm h SER 985 Ca 0.29 -0.65 -0.64 0.00 -0.47 0.00 0.00 61.79 60.32 1sdm h SER 985 Cb 0.49 -0.20 -0.40 0.00 -0.31 0.00 0.00 62.40 61.98 1sdm h SER 985 CO -0.66 1.50 -0.40 -3.20 -0.87 0.00 0.00 176.83 173.19 1sdm n ASN 986 N -3.64 3.62 -4.60 4.97 5.15 -0.82 -5.09 115.26 114.85 1sdm n ASN 986 Ca -0.12 -3.25 -0.47 0.00 -0.60 0.00 0.00 54.58 50.14 1sdm n ASN 986 Cb 1.04 -0.84 -0.03 0.00 -0.53 0.00 0.00 39.78 39.42 1sdm n ASN 986 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1sdm n PRO 987 N 1.79 1.36 -0.31 1.20 -0.02 -0.89 -0.65 135.00 137.48 1sdm n PRO 987 Ca 0.23 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1sdm n PRO 987 Cb 0.37 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1sdm n PRO 987 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sdm n GLY 988 N 1.90 0.77 0.10 -1.23 0.00 0.05 -4.79 105.19 101.98 1sdm n GLY 988 Ca 0.13 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 1sdm n GLY 988 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sdm h LEU 989 N 0.00 -0.16 0.39 0.99 3.38 -1.14 -2.95 115.31 115.83 1sdm h LEU 989 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sdm h LEU 989 Cb 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1sdm h LEU 989 CO 0.00 -0.07 -0.41 0.74 0.09 0.00 0.00 178.44 178.79 1sdm h THR 990 N -0.03 0.17 -0.50 0.22 2.02 -1.24 0.44 112.91 114.00 1sdm h THR 990 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.32 1sdm h THR 990 Cb 0.13 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1sdm h THR 990 CO -0.14 0.00 0.34 1.55 0.37 0.00 0.00 175.52 177.63 1sdm h PRO 991 N -0.83 0.37 -0.05 6.66 0.13 -1.79 -1.27 132.00 135.23 1sdm h PRO 991 Ca -0.03 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.90 1sdm h PRO 991 Cb 0.74 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1sdm h PRO 991 CO -0.07 0.24 -0.73 0.00 -0.23 0.00 0.00 178.00 177.20 1sdm h ARG 992 N 0.38 0.28 -0.16 0.86 3.08 -1.20 -3.06 114.38 114.56 1sdm h ARG 992 Ca 0.22 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1sdm h ARG 992 Cb 0.39 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1sdm h ARG 992 CO -0.05 0.90 -0.05 0.00 -1.07 0.00 0.00 179.97 179.69 1sdm h ALA 993 N 1.03 0.22 -0.60 0.04 0.00 0.95 -0.17 119.26 120.73 1sdm h ALA 993 Ca -0.03 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sdm h ALA 993 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1sdm h ALA 993 CO 0.12 -0.01 0.40 0.52 0.00 0.00 0.00 179.25 180.28 1sdm h MET 994 N 0.00 0.70 -0.04 0.00 2.86 -1.36 0.59 114.93 117.68 1sdm h MET 994 Ca 0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1sdm h MET 994 Cb 0.50 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1sdm h MET 994 CO 0.02 0.46 -0.01 1.03 1.06 0.00 0.00 176.91 179.47 1sdm h SER 995 N 0.72 0.08 -0.24 1.22 0.87 -1.41 -2.40 113.55 112.39 1sdm h SER 995 Ca 0.24 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1sdm h SER 995 Cb 0.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1sdm h SER 995 CO -0.06 0.43 0.16 -0.08 -0.53 0.00 0.00 176.83 176.75 1sdm h GLU 996 N -0.27 0.17 -0.14 2.24 4.57 0.31 -1.96 114.58 119.50 1sdm h GLU 996 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1sdm h GLU 996 Cb 0.40 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1sdm h GLU 996 CO 0.00 0.11 0.02 1.25 -1.18 0.00 0.00 179.01 179.21 1sdm h LEU 997 N 0.17 0.22 -1.11 1.64 5.85 0.46 -2.15 115.31 120.40 1sdm h LEU 997 Ca 0.10 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1sdm h LEU 997 Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1sdm h LEU 997 CO -0.02 0.44 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.90 1sdm h PHE 998 N -0.00 0.18 -0.62 1.25 0.04 -1.01 -1.48 116.94 115.29 1sdm h PHE 998 Ca 0.04 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1sdm h PHE 998 Cb 0.32 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1sdm h PHE 998 CO 0.02 0.50 0.02 0.00 -0.60 0.00 0.00 178.31 178.25 1sdm h ARG 999 N 0.13 1.09 0.11 1.51 -0.00 -1.26 0.24 114.38 116.20 1sdm h ARG 999 Ca 0.01 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.98 59.16 1sdm h ARG 999 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.57 1sdm h ARG 999 CO 0.05 1.04 -0.05 0.82 0.00 0.00 0.00 179.97 181.84 1sdm h ILE 1000N 1.00 1.03 -0.12 2.04 2.04 -1.03 -2.60 117.51 119.88 1sdm h ILE 1000Ca 0.18 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1sdm h ILE 1000Cb 0.54 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1sdm h ILE 1000CO 0.03 0.13 -0.11 0.24 0.00 0.00 0.00 178.15 178.44 1sdm h MET 1001N -0.39 0.18 0.01 2.37 2.86 -1.14 -2.54 114.93 116.27 1sdm h MET 1001Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1sdm h MET 1001Cb 0.33 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1sdm h MET 1001CO 0.02 0.30 -0.01 -0.22 1.06 0.00 0.00 176.91 178.07 1sdm h LYS 1002N 0.17 -0.02 0.08 1.72 3.64 -0.38 -1.87 116.57 119.92 1sdm h LYS 1002Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sdm h LYS 1002Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1sdm h LYS 1002CO 0.02 0.14 -0.04 1.57 -2.27 0.00 0.00 179.45 178.87 1sdm h LYS 1003N -0.17 -0.11 0.00 1.90 2.10 -1.23 -2.74 116.57 116.32 1sdm h LYS 1003Ca -0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1sdm h LYS 1003Cb 0.16 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1sdm h LYS 1003CO 0.00 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1sdm n ASP 1004N -5.04 0.00 0.31 7.07 8.00 -0.98 -3.79 116.55 122.12 1sdm n ASP 1004Ca -0.08 -1.38 0.18 0.00 0.71 0.00 0.00 54.79 54.22 1sdm n ASP 1004Cb 0.16 0.00 0.98 0.00 -0.02 0.00 0.00 41.12 42.24 1sdm n ASP 1004CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sdm h SER 1005N 0.00 0.00 -0.37 -2.24 0.02 -1.01 0.12 113.55 110.07 1sdm h SER 1005Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1sdm h SER 1005Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1sdm h SER 1005CO 0.00 0.03 -0.12 -0.55 -1.14 0.00 0.00 176.83 175.05 1sdm h ASN 1006N 0.00 0.81 0.00 3.07 -0.00 -1.81 -3.28 115.58 114.38 1sdm h ASN 1006Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 56.05 1sdm h ASN 1006Cb 0.15 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 1sdm h ASN 1006CO 0.00 0.95 -1.77 0.29 -0.00 0.00 0.00 177.43 176.90 1sdm n LYS 1007N -4.15 0.61 -4.17 4.14 4.76 -0.83 -4.98 118.16 113.52 1sdm n LYS 1007Ca 0.01 -0.16 -0.18 0.00 -2.87 0.00 0.00 58.31 55.12 1sdm n LYS 1007Cb 0.38 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.99 1sdm n LYS 1007CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1sdm s PHE 1008N -3.30 1.14 -0.20 2.13 0.40 -0.03 -1.39 117.98 116.74 1sdm s PHE 1008Ca -0.05 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1sdm s PHE 1008Cb 0.13 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 43.05 1sdm s PHE 1008CO 0.82 0.04 -0.13 -1.54 0.70 0.00 0.00 175.22 175.10 1sdm s SER 1009N -1.65 3.47 0.18 1.36 1.04 -0.72 -4.34 113.70 113.04 1sdm s SER 1009Ca -0.03 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.44 1sdm s SER 1009Cb -0.10 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.62 1sdm s SER 1009CO 0.02 -0.11 0.44 -0.36 0.98 0.00 0.00 173.24 174.21 1sdm s PHE 1010N 1.32 3.46 -0.13 5.02 0.08 -1.26 -2.16 117.98 124.31 1sdm s PHE 1010Ca -0.01 0.67 -0.01 0.00 0.12 0.00 0.00 56.93 57.69 1sdm s PHE 1010Cb -0.16 -2.09 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1sdm s PHE 1010CO -0.09 0.37 -0.01 0.45 -0.10 0.00 0.00 175.22 175.83 1sdm s SER 1011N -2.44 2.30 0.12 1.36 0.15 0.49 -5.00 113.70 110.68 1sdm s SER 1011Ca 0.43 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.73 1sdm s SER 1011Cb -0.12 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1sdm s SER 1011CO 0.24 -0.21 -0.18 -0.76 1.20 0.00 0.00 173.24 173.53 1sdm s LEU 1012N 1.83 2.71 0.06 3.45 1.02 -1.26 -1.03 118.68 125.46 1sdm s LEU 1012Ca 0.02 -0.57 -0.21 0.00 0.02 0.00 0.00 54.13 53.40 1sdm s LEU 1012Cb -0.14 -1.54 0.05 0.00 0.02 0.00 0.00 46.19 44.57 1sdm s LEU 1012CO -0.07 0.17 0.49 -1.59 0.02 0.00 0.00 176.35 175.38 1sdm s LYS 1013N -2.21 1.03 0.12 1.70 -2.85 -1.04 -0.87 119.74 115.62 1sdm s LYS 1013Ca 0.19 -0.32 -0.12 0.00 -1.00 0.00 0.00 55.97 54.72 1sdm s LYS 1013Cb -0.10 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1sdm s LYS 1013CO 0.10 -0.38 0.30 0.00 0.10 0.00 0.00 175.35 175.48 1sdm s ALA 1014N -2.67 -0.48 0.06 0.59 0.00 -0.15 -0.69 121.76 118.42 1sdm s ALA 1014Ca -0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 1sdm s ALA 1014Cb -0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1sdm s ALA 1014CO -0.04 -0.60 0.21 1.52 0.00 0.00 0.00 175.76 176.86 1sdm s TYR 1015N -3.86 0.06 -0.02 0.00 -0.85 -0.84 -1.34 117.35 110.51 1sdm s TYR 1015Ca 0.07 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1sdm s TYR 1015Cb 0.03 -0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.38 1sdm s TYR 1015CO -0.09 -0.49 0.01 1.41 -1.52 0.00 0.00 175.55 174.87 1sdm s MET 1016N -3.11 0.08 0.04 -3.49 1.75 -1.26 -1.57 119.30 111.73 1sdm s MET 1016Ca -0.01 0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1sdm s MET 1016Cb 0.01 -0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.38 1sdm s MET 1016CO -0.07 -0.12 -0.05 0.54 -0.65 0.00 0.00 175.02 174.67 1sdm s VAL 1017N 0.82 0.37 -0.03 10.11 0.11 -0.30 -1.71 120.40 129.76 1sdm s VAL 1017Ca -0.07 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.81 1sdm s VAL 1017Cb -0.10 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1sdm s VAL 1017CO -0.02 -0.56 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.32 1sdm s GLU 1018N -2.09 1.70 -0.40 1.54 2.12 -0.86 -0.75 118.70 119.96 1sdm s GLU 1018Ca -0.07 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.66 1sdm s GLU 1018Cb -0.06 -1.53 0.11 0.00 0.26 0.00 0.00 34.13 32.91 1sdm s GLU 1018CO -0.02 0.30 0.13 -1.17 -0.54 0.00 0.00 175.26 173.96 1sdm s LEU 1019N -0.13 4.38 0.00 2.70 2.96 0.43 -1.54 118.68 127.47 1sdm s LEU 1019Ca 0.00 -2.43 0.00 0.00 -0.22 0.00 0.00 54.13 51.48 1sdm s LEU 1019Cb -0.10 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1sdm s LEU 1019CO 0.01 -0.33 0.25 0.00 -1.32 0.00 0.00 176.35 174.97 1sdm n TYR 1020N 3.88 0.00 -3.34 5.38 9.36 -1.07 -2.61 117.16 128.76 1sdm n TYR 1020Ca 0.04 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.12 1sdm n TYR 1020Cb 0.38 -0.18 -0.07 0.00 -0.63 0.00 0.00 39.34 38.85 1sdm n TYR 1020CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1sdm s GLN 1021N -0.86 0.64 -1.23 2.98 0.74 -1.26 -4.70 119.66 115.97 1sdm s GLN 1021Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1sdm s GLN 1021Cb 0.00 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.52 1sdm s GLN 1021CO 0.00 -1.18 0.00 -0.25 -0.55 0.00 0.00 175.29 173.31 1sdm n ASP 1022N 4.37 -5.08 -4.02 6.67 8.00 -1.26 -4.94 116.55 120.29 1sdm n ASP 1022Ca 0.10 0.29 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1sdm n ASP 1022Cb 0.47 -3.93 -0.16 0.00 -0.02 0.00 0.00 41.12 37.48 1sdm n ASP 1022CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sdm s THR 1023N -1.94 1.80 -0.35 -3.53 2.01 -1.26 -5.06 115.64 107.31 1sdm s THR 1023Ca 0.00 -1.19 -0.15 0.00 0.31 0.00 0.00 61.69 60.66 1sdm s THR 1023Cb 0.00 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1sdm s THR 1023CO 0.00 0.12 0.35 -0.22 -0.69 0.00 0.00 174.62 174.18 1sdm s LEU 1024N 1.31 4.49 -0.07 4.42 0.20 -1.26 -2.58 118.68 125.19 1sdm s LEU 1024Ca -0.03 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.51 1sdm s LEU 1024Cb -0.17 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.24 1sdm s LEU 1024CO -0.08 -0.35 -0.08 0.68 -0.29 0.00 0.00 176.35 176.23 1sdm s VAL 1025N 1.99 3.57 -0.32 1.68 -7.23 -0.59 -4.71 120.40 114.79 1sdm s VAL 1025Ca 0.11 -0.53 -0.22 0.00 -1.81 0.00 0.00 61.98 59.53 1sdm s VAL 1025Cb -0.17 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1sdm s VAL 1025CO 0.12 0.59 0.72 -0.62 -0.31 0.00 0.00 175.10 175.60 1sdm s ASP 1026N -0.73 6.57 0.00 4.85 3.68 -1.26 -2.02 116.67 127.76 1sdm s ASP 1026Ca 0.11 0.50 0.28 0.00 2.13 0.00 0.00 52.55 55.57 1sdm s ASP 1026Cb -0.11 -2.37 1.04 0.00 -1.45 0.00 0.00 42.92 40.02 1sdm s ASP 1026CO 0.01 -0.59 1.76 0.18 0.13 0.00 0.00 175.17 176.67 1sdm n LEU 1027N 6.12 0.30 -0.98 -1.34 4.77 -0.70 -3.51 117.00 121.66 1sdm n LEU 1027Ca 0.02 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.28 1sdm n LEU 1027Cb 0.48 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.47 1sdm n LEU 1027CO 0.49 0.06 0.67 0.18 -1.33 0.00 0.00 177.39 177.47 1sdm n LEU 1028N -1.31 3.29 -4.67 2.23 4.77 -1.25 -4.95 117.00 115.11 1sdm n LEU 1028Ca 0.09 -1.75 -0.43 0.00 -0.03 0.00 0.00 56.01 53.90 1sdm n LEU 1028Cb 0.32 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1sdm n LEU 1028CO 0.28 0.77 1.08 -0.22 -1.33 0.00 0.00 177.39 177.98 1sdm s LEU 1029N -1.13 4.21 0.57 2.23 2.96 -1.23 -4.90 118.68 121.39 1sdm s LEU 1029Ca 0.34 1.77 -0.21 0.00 -0.22 0.00 0.00 54.13 55.82 1sdm s LEU 1029Cb 0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1sdm s LEU 1029CO 0.25 -0.74 1.30 -2.65 -1.32 0.00 0.00 176.35 173.19 1sdm n PRO 1030N 6.34 1.49 -0.26 0.98 -0.02 -1.26 -4.89 135.00 137.38 1sdm n PRO 1030Ca 0.14 0.55 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 1sdm n PRO 1030Cb 0.45 -2.51 0.14 0.00 -0.02 0.00 0.00 33.50 31.55 1sdm n PRO 1030CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sdm h LYS 1031N 1.15 0.65 -0.46 -0.52 1.79 -2.00 -2.57 116.57 114.62 1sdm h LYS 1031Ca -0.50 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 1sdm h LYS 1031Cb 1.32 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1sdm h LYS 1031CO 0.56 0.43 0.25 1.96 -1.08 0.00 0.00 179.45 181.56 1sdm h GLN 1032N 0.67 0.63 -6.84 3.15 7.50 -2.04 -3.44 115.11 114.74 1sdm h GLN 1032Ca 0.35 -0.06 -0.52 0.00 0.50 0.00 0.00 58.65 58.92 1sdm h GLN 1032Cb 0.33 -0.13 0.05 0.00 0.05 0.00 0.00 27.48 27.78 1sdm h GLN 1032CO -0.25 0.47 0.61 0.00 -1.50 0.00 0.00 178.83 178.17 1sdm s ALA 1033N -5.43 3.49 0.26 3.87 0.00 -0.97 -4.99 121.76 117.99 1sdm s ALA 1033Ca -0.09 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1sdm s ALA 1033Cb 0.17 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1sdm s ALA 1033CO 0.75 -0.55 1.04 -1.59 0.00 0.00 0.00 175.76 175.41 1sdm s LYS 1034N -1.53 4.72 -0.19 0.00 -2.85 -1.26 -4.88 119.74 113.75 1sdm s LYS 1034Ca 0.49 1.69 -0.23 0.00 -1.00 0.00 0.00 55.97 56.92 1sdm s LYS 1034Cb -0.38 -3.22 -0.02 0.00 -2.06 0.00 0.00 37.83 32.15 1sdm s LYS 1034CO 0.49 0.32 0.74 -0.98 0.10 0.00 0.00 175.35 176.02 1sdm s ARG 1035N -1.32 4.25 0.23 1.78 1.70 -1.26 -5.04 118.95 119.29 1sdm s ARG 1035Ca 0.43 0.84 -0.08 0.00 -0.47 0.00 0.00 55.73 56.45 1sdm s ARG 1035Cb -0.30 -3.58 -0.07 0.00 -0.57 0.00 0.00 34.95 30.43 1sdm s ARG 1035CO 0.38 -0.31 0.53 -0.51 -1.08 0.00 0.00 175.30 174.31 1sdm s LEU 1036N 2.10 4.16 0.12 -1.89 1.43 -1.26 -5.02 118.68 118.32 1sdm s LEU 1036Ca 0.34 0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 53.97 1sdm s LEU 1036Cb -0.16 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.34 1sdm s LEU 1036CO 0.11 -0.08 1.77 -1.59 0.23 0.00 0.00 176.35 176.79 1sdm s LYS 1037N -2.94 4.15 0.21 1.70 -2.85 -1.26 -4.96 119.74 113.79 1sdm s LYS 1037Ca 0.46 2.54 -0.18 0.00 -1.00 0.00 0.00 55.97 57.79 1sdm s LYS 1037Cb -0.11 -3.51 -0.08 0.00 -2.06 0.00 0.00 37.83 32.07 1sdm s LYS 1037CO 0.23 -0.80 0.67 -0.51 0.10 0.00 0.00 175.35 175.05 1sdm s LEU 1038N 2.46 4.31 -0.01 2.77 1.43 -1.26 -4.79 118.68 123.59 1sdm s LEU 1038Ca 0.78 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1sdm s LEU 1038Cb -0.45 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 1sdm s LEU 1038CO 0.35 0.03 -0.12 -0.62 0.23 0.00 0.00 176.35 176.21 1sdm s ASP 1039N -1.74 1.47 -0.17 2.29 -1.08 -1.22 -4.99 116.67 111.24 1sdm s ASP 1039Ca 0.43 -0.23 -0.12 0.00 -0.52 0.00 0.00 52.55 52.10 1sdm s ASP 1039Cb -0.16 -0.21 -0.05 0.00 -1.46 0.00 0.00 42.92 41.05 1sdm s ASP 1039CO 0.20 0.14 0.24 -0.63 0.52 0.00 0.00 175.17 175.64 1sdm s ILE 1040N -0.21 5.34 0.00 4.11 -1.09 -1.26 -1.97 121.20 126.11 1sdm s ILE 1040Ca 0.03 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1sdm s ILE 1040Cb -0.06 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1sdm s ILE 1040CO -0.00 0.42 0.00 0.29 -1.23 0.00 0.00 174.94 174.42 1sdm n LYS 1041N 3.43 0.00 -3.81 2.79 5.02 -0.70 -4.50 118.16 120.40 1sdm n LYS 1041Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.04 1sdm n LYS 1041Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.45 1sdm n LYS 1041CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1sdm s LYS 1042N -1.53 0.68 0.68 1.97 0.00 -0.64 -1.15 119.74 119.75 1sdm s LYS 1042Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 55.97 55.47 1sdm s LYS 1042Cb 0.00 0.29 0.14 0.00 0.00 0.00 0.00 37.83 38.26 1sdm s LYS 1042CO 0.00 -0.20 0.93 -0.40 0.00 0.00 0.00 175.35 175.68 1sdm n ASP 1043N 0.92 0.86 0.24 0.03 3.85 -0.46 -0.41 116.55 121.58 1sdm n ASP 1043Ca -0.20 -1.81 0.15 0.00 -0.71 0.00 0.00 54.79 52.21 1sdm n ASP 1043Cb 0.58 -0.64 0.79 0.00 -1.35 0.00 0.00 41.12 40.50 1sdm n ASP 1043CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1sdm h SER 1044N -0.78 0.00 -0.01 -1.12 4.64 -1.90 -0.65 113.55 113.73 1sdm h SER 1044Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1sdm h SER 1044Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sdm h SER 1044CO 0.29 0.00 -0.08 0.29 -0.87 0.00 0.00 176.83 176.46 1sdm n LYS 1045N -2.56 1.98 -0.33 4.77 4.76 -1.26 -4.95 118.16 120.58 1sdm n LYS 1045Ca -0.02 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 1sdm n LYS 1045Cb 0.12 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1sdm n LYS 1045CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sdm n GLY 1046N 1.33 0.96 3.69 0.72 0.00 -0.25 -4.83 105.19 106.81 1sdm n GLY 1046Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1sdm n GLY 1046CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sdm s MET 1047N -0.52 4.39 0.42 1.61 0.00 -1.26 -4.54 119.30 119.40 1sdm s MET 1047Ca 0.00 1.64 -0.22 0.00 0.00 0.00 0.00 55.69 57.10 1sdm s MET 1047Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 34.83 31.22 1sdm s MET 1047CO 0.00 -0.37 1.00 0.14 0.00 0.00 0.00 175.02 175.79 1sdm s VAL 1048N 1.90 4.05 -0.07 10.11 -7.23 -1.26 -1.35 120.40 126.54 1sdm s VAL 1048Ca 0.55 1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 61.87 1sdm s VAL 1048Cb -0.24 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.11 1sdm s VAL 1048CO 0.23 -0.15 0.59 -0.94 -0.31 0.00 0.00 175.10 174.52 1sdm s SER 1049N -1.89 -0.55 -0.30 4.85 1.04 -0.30 -4.93 113.70 111.62 1sdm s SER 1049Ca 0.60 0.67 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 1sdm s SER 1049Cb -0.16 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1sdm s SER 1049CO 0.20 -0.51 0.03 0.54 0.98 0.00 0.00 173.24 174.48 1sdm s VAL 1050N -0.97 3.36 0.95 5.02 0.11 -1.26 -1.71 120.40 125.90 1sdm s VAL 1050Ca -0.10 -1.11 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 1sdm s VAL 1050Cb -0.02 -2.84 0.14 0.00 -1.53 0.00 0.00 36.38 32.14 1sdm s VAL 1050CO 0.07 -0.02 1.00 -0.62 -3.33 0.00 0.00 175.10 172.20 1sdm n GLU 1051N 4.73 -0.62 -0.98 1.54 1.02 -0.83 -2.93 120.64 122.57 1sdm n GLU 1051Ca -0.14 -0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 56.85 1sdm n GLU 1051Cb 0.45 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.59 1sdm n GLU 1051CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sdm n ASN 1052N -3.81 -5.05 -4.80 1.62 5.03 -1.26 -3.39 115.26 103.60 1sdm n ASN 1052Ca 0.10 0.08 -0.36 0.00 0.87 0.00 0.00 54.58 55.27 1sdm n ASN 1052Cb 0.53 -3.28 -0.06 0.00 -1.02 0.00 0.00 39.78 35.94 1sdm n ASN 1052CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1sdm s VAL 1053N -1.17 4.44 -0.09 2.41 0.11 -1.15 -4.81 120.40 120.15 1sdm s VAL 1053Ca 0.00 1.47 -0.30 0.00 -2.93 0.00 0.00 61.98 60.22 1sdm s VAL 1053Cb 0.00 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1sdm s VAL 1053CO 0.00 0.16 1.36 -0.89 -3.33 0.00 0.00 175.10 172.40 1sdm s THR 1054N -1.58 4.00 -0.22 5.04 2.01 -1.26 -5.02 115.64 118.61 1sdm s THR 1054Ca 0.46 1.28 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 1sdm s THR 1054Cb -0.17 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1sdm s THR 1054CO 0.22 -0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 1sdm s VAL 1055N 3.16 3.00 -0.17 3.82 1.01 -1.26 -4.55 120.40 125.40 1sdm s VAL 1055Ca 0.61 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1sdm s VAL 1055Cb -0.27 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1sdm s VAL 1055CO 0.21 0.37 0.23 -0.69 0.00 0.00 0.00 175.10 175.22 1sdm s VAL 1056N 1.40 5.35 -0.01 2.92 1.01 -0.45 -4.89 120.40 125.73 1sdm s VAL 1056Ca 0.04 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1sdm s VAL 1056Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1sdm s VAL 1056CO -0.05 0.41 0.96 -0.44 0.00 0.00 0.00 175.10 175.98 1sdm s SER 1057N 0.40 7.33 -0.25 3.32 0.01 -1.26 -0.98 113.70 122.27 1sdm s SER 1057Ca 0.13 1.61 -0.09 0.00 1.31 0.00 0.00 55.95 58.91 1sdm s SER 1057Cb -0.12 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1sdm s SER 1057CO 0.02 -0.27 0.14 -0.63 0.41 0.00 0.00 173.24 172.91 1sdm s ILE 1058N 1.09 4.99 -0.12 1.44 -1.09 -0.05 -4.93 121.20 122.53 1sdm s ILE 1058Ca 0.51 0.06 0.12 0.00 -2.23 0.00 0.00 60.65 59.10 1sdm s ILE 1058Cb -0.21 -3.34 -0.18 0.00 -1.58 0.00 0.00 42.46 37.15 1sdm s ILE 1058CO 0.26 0.32 0.31 -1.54 -1.23 0.00 0.00 174.94 173.06 1sdm n SER 1059N 4.71 1.90 -4.11 3.58 3.41 -1.26 -4.18 113.62 117.67 1sdm n SER 1059Ca -0.15 -0.14 -0.08 0.00 -0.26 0.00 0.00 58.87 58.24 1sdm n SER 1059Cb 0.52 1.46 -0.10 0.00 -0.26 0.00 0.00 64.21 65.83 1sdm n SER 1059CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sdm s THR 1060N -2.72 0.24 0.25 6.66 -1.32 -1.26 -5.05 115.64 112.44 1sdm s THR 1060Ca -0.03 -1.84 -0.03 0.00 -1.21 0.00 0.00 61.69 58.58 1sdm s THR 1060Cb 0.08 -1.64 0.09 0.00 -1.51 0.00 0.00 72.50 69.52 1sdm s THR 1060CO 0.51 -0.88 1.73 0.22 -2.21 0.00 0.00 174.62 173.98 1sdm h TYR 1061N 3.08 0.86 -0.84 9.09 3.20 -1.98 -3.00 116.97 127.37 1sdm h TYR 1061Ca -0.34 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.41 1sdm h TYR 1061Cb 1.15 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1sdm h TYR 1061CO 0.52 0.82 0.55 0.93 -1.64 0.00 0.00 178.16 179.34 1sdm h GLU 1062N 0.73 1.04 -0.60 1.82 5.08 -1.99 -1.11 114.58 119.56 1sdm h GLU 1062Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1sdm h GLU 1062Cb 0.52 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1sdm h GLU 1062CO 0.03 0.69 0.29 0.93 -1.00 0.00 0.00 179.01 179.95 1sdm h GLU 1063N 1.07 0.87 -0.27 2.33 5.08 -1.95 -1.58 114.58 120.13 1sdm h GLU 1063Ca 0.32 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1sdm h GLU 1063Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1sdm h GLU 1063CO -0.09 0.70 0.04 1.25 -1.00 0.00 0.00 179.01 179.92 1sdm h LEU 1064N 0.82 0.42 -0.70 1.33 6.46 -1.46 -2.69 115.31 119.50 1sdm h LEU 1064Ca 0.21 -0.26 0.11 0.00 -0.12 0.00 0.00 57.88 57.82 1sdm h LEU 1064Cb 0.12 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.86 1sdm h LEU 1064CO -0.03 0.57 0.31 0.50 -0.62 0.00 0.00 178.44 179.18 1sdm h LYS 1065N 0.25 0.50 -0.55 1.25 3.64 -0.95 0.26 116.57 120.97 1sdm h LYS 1065Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1sdm h LYS 1065Cb 0.33 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1sdm h LYS 1065CO 0.00 0.33 0.20 1.79 -2.27 0.00 0.00 179.45 179.51 1sdm h THR 1066N 0.51 1.21 0.08 1.00 1.35 -1.09 -1.19 112.91 114.77 1sdm h THR 1066Ca 0.36 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1sdm h THR 1066Cb 0.44 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1sdm h THR 1066CO -0.32 0.26 -0.04 0.40 -0.25 0.00 0.00 175.52 175.58 1sdm h ILE 1067N 0.80 1.07 0.00 6.82 2.04 -0.66 -1.43 117.51 126.15 1sdm h ILE 1067Ca 0.19 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1sdm h ILE 1067Cb 0.19 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1sdm h ILE 1067CO -0.01 0.13 0.00 2.30 0.00 0.00 0.00 178.15 180.56 1sdm n ILE 1068N -5.03 0.66 0.06 -0.67 -6.64 -0.62 -2.26 119.36 104.87 1sdm n ILE 1068Ca -0.08 0.13 -0.20 0.00 -1.77 0.00 0.00 62.75 60.83 1sdm n ILE 1068Cb 0.16 -0.85 -0.13 0.00 -1.44 0.00 0.00 39.64 37.38 1sdm n ILE 1068CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1sdm h GLN 1069N 0.00 0.44 -0.13 6.28 4.15 -0.82 -2.38 115.11 122.65 1sdm h GLN 1069Ca 0.00 -0.62 -0.05 0.00 0.77 0.00 0.00 58.65 58.75 1sdm h GLN 1069Cb 0.38 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1sdm h GLN 1069CO 0.00 1.26 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.95 1sdm h ARG 1070N -0.08 0.20 0.27 1.69 2.43 -0.82 -2.65 114.38 115.43 1sdm h ARG 1070Ca -0.15 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1sdm h ARG 1070Cb 1.68 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1sdm h ARG 1070CO 0.18 0.34 -0.13 0.78 -1.51 0.00 0.00 179.97 179.63 1sdm h GLY 1071N 0.70 -0.38 -0.03 2.80 0.00 -1.45 -2.83 103.07 101.87 1sdm h GLY 1071Ca 0.04 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1sdm h GLY 1071CO 0.02 -0.14 -0.13 0.23 0.00 0.00 0.00 176.54 176.52 1sdm h SER 1072N -0.82 -0.49 0.09 0.19 0.87 -1.30 0.67 113.55 112.76 1sdm h SER 1072Ca -0.04 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1sdm h SER 1072Cb 0.51 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1sdm h SER 1072CO 0.06 -0.17 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.78 1sdm h GLU 1073N -0.00 0.00 0.00 2.24 5.08 -1.56 -0.08 114.58 120.26 1sdm h GLU 1073Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1sdm h GLU 1073Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1sdm h GLU 1073CO -0.53 0.08 -0.06 0.37 -1.00 0.00 0.00 179.01 177.86 1sdm h GLN 1074N 0.00 0.00 0.00 2.33 5.75 -0.61 -3.28 115.11 119.30 1sdm h GLN 1074Ca -0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 1sdm h GLN 1074Cb 0.15 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1sdm h GLN 1074CO 0.01 0.06 -2.13 0.54 -2.65 0.00 0.00 178.83 174.66 1sdm n ARG 1075N -3.20 0.67 -1.68 1.69 5.12 -0.08 -4.69 116.66 114.49 1sdm n ARG 1075Ca 0.00 -0.13 -0.45 0.00 -1.93 0.00 0.00 57.85 55.34 1sdm n ARG 1075Cb 0.33 -1.52 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 1sdm n ARG 1075CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1sdm n HIS 1076N -2.43 2.42 -3.12 -1.55 -0.00 -1.02 -4.84 115.22 104.68 1sdm n HIS 1076Ca -0.14 0.19 -0.39 0.00 0.46 0.00 0.00 57.72 57.84 1sdm n HIS 1076Cb 0.77 -2.59 -0.05 0.00 -0.12 0.00 0.00 29.99 28.01 1sdm n HIS 1076CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1sdm s THR 1077N 1.02 5.03 -0.25 3.57 -4.23 -1.26 -4.96 115.64 114.56 1sdm s THR 1077Ca 0.78 1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 62.55 1sdm s THR 1077Cb -0.63 -3.98 -0.13 0.00 1.34 0.00 0.00 72.50 69.10 1sdm s THR 1077CO 0.36 0.31 -0.27 0.41 -0.54 0.00 0.00 174.62 174.88 1sdm n THR 1078N 3.48 1.37 -2.23 3.99 -1.04 -1.26 -5.04 114.28 113.55 1sdm n THR 1078Ca -0.04 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.05 61.44 1sdm n THR 1078Cb 0.51 -1.62 0.06 0.00 -1.82 0.00 0.00 70.33 67.46 1sdm n THR 1078CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sdm n GLY 1079N 1.84 0.36 0.17 3.41 0.00 -1.26 -5.03 105.19 104.68 1sdm n GLY 1079Ca -0.46 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 43.64 1sdm n GLY 1079CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sdm n THR 1080N -2.18 0.57 -3.21 2.61 5.66 -1.26 -5.03 114.28 111.44 1sdm n THR 1080Ca 0.07 -0.79 -0.37 0.00 -3.05 0.00 0.00 64.05 59.92 1sdm n THR 1080Cb 0.27 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.73 1sdm n THR 1080CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1sdm s LEU 1081N -0.69 4.41 0.25 1.09 1.43 -1.26 -4.98 118.68 118.93 1sdm s LEU 1081Ca 0.06 1.30 0.23 0.00 -1.03 0.00 0.00 54.13 54.69 1sdm s LEU 1081Cb 0.03 -3.30 0.98 0.00 0.03 0.00 0.00 46.19 43.93 1sdm s LEU 1081CO 0.05 0.13 1.70 0.23 0.23 0.00 0.00 176.35 178.68 1sdm n MET 1082N 1.06 0.19 -0.03 1.70 2.81 -1.26 -2.83 117.12 118.76 1sdm n MET 1082Ca -0.05 0.43 0.13 0.00 -1.81 0.00 0.00 57.70 56.40 1sdm n MET 1082Cb 0.51 -1.87 0.48 0.00 -0.71 0.00 0.00 33.22 31.63 1sdm n MET 1082CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1sdm n ASN 1083N -2.22 1.57 -4.73 7.83 6.94 -1.26 -4.67 115.26 118.73 1sdm n ASN 1083Ca 0.02 -1.57 -0.42 0.00 -0.02 0.00 0.00 54.58 52.59 1sdm n ASN 1083Cb 0.21 -0.03 -0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1sdm n ASN 1083CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1sdm n GLU 1084N 0.23 2.31 0.09 -3.83 2.13 -1.13 -4.85 120.64 115.60 1sdm n GLU 1084Ca 0.18 0.81 -0.12 0.00 0.66 0.00 0.00 57.16 58.69 1sdm n GLU 1084Cb 0.35 -2.45 -0.05 0.00 0.27 0.00 0.00 31.44 29.55 1sdm n GLU 1084CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1sdm h GLN 1085N 2.66 -0.36 -0.07 5.31 4.15 -1.93 -2.15 115.11 122.72 1sdm h GLN 1085Ca -0.48 0.02 0.02 0.00 0.77 0.00 0.00 58.65 58.99 1sdm h GLN 1085Cb 1.27 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 1sdm h GLN 1085CO 0.63 -0.24 0.32 0.66 -1.93 0.00 0.00 178.83 178.27 1sdm h SER 1086N -0.38 0.00 0.12 -0.69 4.64 -1.88 0.54 113.55 115.90 1sdm h SER 1086Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1sdm h SER 1086Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1sdm h SER 1086CO -0.14 0.00 -0.69 -1.20 -0.87 0.00 0.00 176.83 173.93 1sdm n SER 1087N -3.08 1.17 -0.05 4.97 7.64 -0.85 -4.37 113.62 119.05 1sdm n SER 1087Ca -0.00 -0.98 0.03 0.00 1.01 0.00 0.00 58.87 58.93 1sdm n SER 1087Cb 0.40 0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 64.21 1sdm n SER 1087CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sdm n ARG 1088N -1.04 4.07 -4.34 1.43 5.12 0.17 -1.91 116.66 120.16 1sdm n ARG 1088Ca 0.06 -0.19 -0.25 0.00 -1.93 0.00 0.00 57.85 55.54 1sdm n ARG 1088Cb 0.37 -0.83 -0.09 0.00 -1.16 0.00 0.00 32.46 30.75 1sdm n ARG 1088CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1sdm s SER 1089N -1.26 4.18 -0.10 0.55 1.04 -0.01 -4.82 113.70 113.26 1sdm s SER 1089Ca 0.03 -1.09 -0.00 0.00 0.48 0.00 0.00 55.95 55.37 1sdm s SER 1089Cb 0.04 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 1sdm s SER 1089CO 0.18 -0.36 -0.09 -1.00 0.98 0.00 0.00 173.24 172.95 1sdm s HIS 1090N -2.58 2.87 -0.08 5.02 3.76 -1.07 -3.01 115.29 120.20 1sdm s HIS 1090Ca 0.36 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 55.02 1sdm s HIS 1090Cb 0.03 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 1sdm s HIS 1090CO 0.20 0.05 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.73 1sdm s LEU 1091N -0.15 2.15 -0.07 0.89 0.20 -0.60 -0.42 118.68 120.68 1sdm s LEU 1091Ca 0.01 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.33 1sdm s LEU 1091Cb -0.13 -1.42 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1sdm s LEU 1091CO 0.03 0.20 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.57 1sdm s ILE 1092N 0.10 0.97 -0.07 6.68 1.01 0.07 -1.35 121.20 128.60 1sdm s ILE 1092Ca -0.11 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1sdm s ILE 1092Cb -0.16 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1sdm s ILE 1092CO 0.06 0.32 -0.22 0.54 0.00 0.00 0.00 174.94 175.65 1sdm s VAL 1093N 0.89 1.86 -0.00 2.92 0.11 -0.83 -1.15 120.40 124.18 1sdm s VAL 1093Ca -0.11 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.04 1sdm s VAL 1093Cb -0.15 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.10 1sdm s VAL 1093CO 0.01 0.52 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.75 1sdm s SER 1094N 0.08 1.31 -0.14 3.54 0.01 -0.61 -1.27 113.70 116.61 1sdm s SER 1094Ca -0.09 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1sdm s SER 1094Cb -0.15 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1sdm s SER 1094CO 0.05 0.11 -0.12 -0.69 0.41 0.00 0.00 173.24 173.00 1sdm s VAL 1095N -0.36 1.41 -0.23 3.43 1.01 0.42 -1.99 120.40 124.08 1sdm s VAL 1095Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1sdm s VAL 1095Cb -0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1sdm s VAL 1095CO -0.00 0.40 0.44 -0.63 0.00 0.00 0.00 175.10 175.31 1sdm s ILE 1096N 1.55 5.14 -0.38 2.22 1.09 0.14 -0.65 121.20 130.30 1sdm s ILE 1096Ca 0.04 0.76 -0.08 0.00 -1.10 0.00 0.00 60.65 60.27 1sdm s ILE 1096Cb -0.13 -3.77 0.05 0.00 -1.06 0.00 0.00 42.46 37.56 1sdm s ILE 1096CO -0.10 0.17 0.18 -0.63 -0.10 0.00 0.00 174.94 174.46 1sdm s ILE 1097N 1.83 4.08 -0.22 2.92 1.01 -0.21 -2.51 121.20 128.10 1sdm s ILE 1097Ca 0.19 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1sdm s ILE 1097Cb -0.15 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1sdm s ILE 1097CO 0.09 -0.32 0.05 -0.70 0.00 0.00 0.00 174.94 174.05 1sdm s GLU 1098N 1.43 3.68 0.03 2.79 2.56 -0.20 -0.34 118.70 128.67 1sdm s GLU 1098Ca 0.01 -0.47 0.08 0.00 0.00 0.00 0.00 54.97 54.58 1sdm s GLU 1098Cb -0.21 -3.23 -0.03 0.00 2.00 0.00 0.00 34.13 32.66 1sdm s GLU 1098CO 0.03 -0.07 -0.22 -1.54 -0.56 0.00 0.00 175.26 172.91 1sdm s SER 1099N 1.26 3.51 -0.12 -1.70 1.04 0.53 -0.38 113.70 117.83 1sdm s SER 1099Ca 0.04 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1sdm s SER 1099Cb -0.15 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.52 1sdm s SER 1099CO 0.03 0.27 -0.13 -0.89 0.98 0.00 0.00 173.24 173.49 1sdm s THR 1100N -0.85 1.41 -0.11 2.02 2.01 -0.92 -0.86 115.64 118.35 1sdm s THR 1100Ca 0.13 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1sdm s THR 1100Cb -0.10 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1sdm s THR 1100CO 0.03 0.43 1.33 0.21 -0.69 0.00 0.00 174.62 175.93 1sdm s ASN 1101N 1.32 6.91 0.65 3.53 3.04 -0.12 -1.75 114.94 128.52 1sdm s ASN 1101Ca 0.00 1.86 0.36 0.00 0.04 0.00 0.00 52.86 55.12 1sdm s ASN 1101Cb -0.14 -2.54 1.99 0.00 -1.54 0.00 0.00 41.25 39.02 1sdm s ASN 1101CO -0.06 -0.75 2.15 -0.07 -3.04 0.00 0.00 177.10 175.32 1sdm h LEU 1102N 9.34 0.00 0.00 3.21 3.38 -1.57 0.55 115.31 130.21 1sdm h LEU 1102Ca -0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1sdm h LEU 1102Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1sdm h LEU 1102CO 0.94 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 178.66 1sdm n GLN 1103N -3.13 0.27 0.30 1.13 10.64 -1.26 -4.60 117.38 120.74 1sdm n GLN 1103Ca -0.02 0.11 0.17 0.00 -1.83 0.00 0.00 57.00 55.43 1sdm n GLN 1103Cb 0.24 -0.97 0.93 0.00 -0.86 0.00 0.00 30.24 29.57 1sdm n GLN 1103CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1sdm h THR 1104N -0.50 0.37 -0.47 -0.39 2.02 -1.96 -3.45 112.91 108.53 1sdm h THR 1104Ca -0.09 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 1sdm h THR 1104Cb 0.70 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 1sdm h THR 1104CO -0.05 0.03 -0.18 0.00 0.37 0.00 0.00 175.52 175.69 1sdm n GLN 1105N -3.55 -1.64 -1.96 6.66 1.13 0.19 -4.87 117.38 113.35 1sdm n GLN 1105Ca -0.02 0.84 -0.32 0.00 -1.94 0.00 0.00 57.00 55.55 1sdm n GLN 1105Cb 0.14 -5.22 0.01 0.00 0.11 0.00 0.00 30.24 25.28 1sdm n GLN 1105CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sdm s ALA 1106N -1.89 2.89 -0.05 -1.58 0.00 -1.25 -3.94 121.76 115.93 1sdm s ALA 1106Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1sdm s ALA 1106Cb 0.00 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1sdm s ALA 1106CO 0.00 -0.75 -0.20 0.42 0.00 0.00 0.00 175.76 175.23 1sdm s ILE 1107N -2.82 1.67 -0.14 0.00 1.09 0.49 -0.94 121.20 120.54 1sdm s ILE 1107Ca 0.59 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 59.32 1sdm s ILE 1107Cb -0.13 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.86 1sdm s ILE 1107CO 0.44 0.47 -0.20 0.00 -0.10 0.00 0.00 174.94 175.55 1sdm s ALA 1108N 0.03 2.14 -0.54 9.38 0.00 -0.04 -0.09 121.76 132.64 1sdm s ALA 1108Ca -0.06 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 1sdm s ALA 1108Cb -0.13 -0.98 0.14 0.00 0.00 0.00 0.00 23.12 22.15 1sdm s ALA 1108CO 0.03 -0.08 0.35 0.50 0.00 0.00 0.00 175.76 176.56 1sdm s ARG 1109N 0.91 2.32 0.59 0.00 3.52 0.07 -0.35 118.95 126.01 1sdm s ARG 1109Ca -0.05 -2.31 0.05 0.00 -0.13 0.00 0.00 55.73 53.28 1sdm s ARG 1109Cb -0.15 -3.64 0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1sdm s ARG 1109CO -0.03 -1.13 0.82 0.20 -0.81 0.00 0.00 175.30 174.34 1sdm s GLY 1110N 0.96 1.79 -0.21 8.12 0.00 0.54 -4.48 107.32 114.05 1sdm s GLY 1110Ca 0.14 -1.80 -0.15 0.00 0.00 0.00 0.00 44.72 42.92 1sdm s GLY 1110CO -0.03 -1.38 0.53 1.25 0.00 0.00 0.00 173.10 173.46 1sdm s LYS 1111N -4.78 0.56 -0.21 2.90 2.20 -0.32 -1.04 119.74 119.05 1sdm s LYS 1111Ca 0.61 0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1sdm s LYS 1111Cb -0.07 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1sdm s LYS 1111CO 0.40 -0.12 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.96 1sdm s LEU 1112N 1.04 2.59 -0.07 5.43 2.96 0.17 0.12 118.68 130.92 1sdm s LEU 1112Ca -0.06 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.16 1sdm s LEU 1112Cb -0.06 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.08 1sdm s LEU 1112CO -0.09 -0.04 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.25 1sdm s SER 1113N 1.32 1.65 -0.13 3.68 0.15 -0.20 -0.44 113.70 119.73 1sdm s SER 1113Ca 0.03 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1sdm s SER 1113Cb -0.14 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.41 1sdm s SER 1113CO -0.09 -0.02 -0.09 -0.36 1.20 0.00 0.00 173.24 173.88 1sdm s PHE 1114N 0.93 2.90 -0.17 3.44 0.40 -0.40 -0.82 117.98 124.25 1sdm s PHE 1114Ca -0.10 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1sdm s PHE 1114Cb -0.15 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.54 1sdm s PHE 1114CO 0.01 -0.11 -0.14 0.08 0.70 0.00 0.00 175.22 175.76 1sdm s VAL 1115N 0.27 1.68 -0.51 -0.44 1.01 -0.40 -1.98 120.40 120.03 1sdm s VAL 1115Ca -0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1sdm s VAL 1115Cb -0.15 -1.64 0.13 0.00 0.00 0.00 0.00 36.38 34.72 1sdm s VAL 1115CO 0.04 0.35 0.43 -0.62 0.00 0.00 0.00 175.10 175.31 1sdm s ASP 1116N 1.42 5.96 0.91 3.32 -1.08 -0.46 -1.31 116.67 125.43 1sdm s ASP 1116Ca 0.02 -1.88 -0.12 0.00 -0.52 0.00 0.00 52.55 50.05 1sdm s ASP 1116Cb -0.14 -2.11 0.14 0.00 -1.46 0.00 0.00 42.92 39.35 1sdm s ASP 1116CO -0.10 -0.77 1.12 -0.76 0.52 0.00 0.00 175.17 175.18 1sdm s LEU 1117N 1.43 2.02 0.74 -1.34 1.43 -1.20 -1.56 118.68 120.20 1sdm s LEU 1117Ca 0.05 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 1sdm s LEU 1117Cb -0.28 -3.43 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1sdm s LEU 1117CO 0.01 -2.60 1.10 0.00 0.23 0.00 0.00 176.35 175.09 1sdm s ALA 1118N -3.18 2.64 0.36 4.21 0.00 -1.16 -4.81 121.76 119.83 1sdm s ALA 1118Ca 0.64 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 1sdm s ALA 1118Cb -0.16 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 1sdm s ALA 1118CO 0.55 -1.37 1.25 0.41 0.00 0.00 0.00 175.76 176.59 1sdm n GLY 1119N -2.63 0.47 0.04 0.00 0.00 -0.80 -4.74 105.19 97.54 1sdm n GLY 1119Ca 0.07 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.49 1sdm n GLY 1119CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sdm n SER 1120N 0.64 0.51 -4.76 1.61 3.41 -0.84 -4.89 113.62 109.31 1sdm n SER 1120Ca 0.06 0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.55 1sdm n SER 1120Cb 0.37 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1sdm n SER 1120CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1sdm s GLU 1121N -3.07 3.02 0.05 4.33 1.03 -1.26 -4.95 118.70 117.84 1sdm s GLU 1121Ca 0.10 1.72 -0.30 0.00 0.03 0.00 0.00 54.97 56.52 1sdm s GLU 1121Cb 0.15 -1.95 -0.05 0.00 -0.80 0.00 0.00 34.13 31.49 1sdm s GLU 1121CO 0.64 -1.14 1.02 0.50 -1.33 0.00 0.00 175.26 174.95 1sdm s ARG 1122N -3.42 4.58 -0.05 -4.83 6.06 -1.26 -5.03 118.95 115.00 1sdm s ARG 1122Ca 0.75 1.51 -0.13 0.00 -2.50 0.00 0.00 55.73 55.36 1sdm s ARG 1122Cb -0.28 -3.41 -0.05 0.00 0.06 0.00 0.00 34.95 31.28 1sdm s ARG 1122CO 0.33 -0.00 0.33 0.08 -2.50 0.00 0.00 175.30 173.53 1sdm s VAL 1123N 0.65 5.18 0.02 7.11 1.01 -1.26 -5.08 120.40 128.03 1sdm s VAL 1123Ca 0.51 0.64 0.09 0.00 0.00 0.00 0.00 61.98 63.23 1sdm s VAL 1123Cb -0.24 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1sdm s VAL 1123CO 0.29 0.58 -0.26 -1.59 0.00 0.00 0.00 175.10 174.12 1sdm s LYS 1124N -0.95 1.92 -0.21 2.72 0.00 -1.26 -2.64 119.74 119.31 1sdm s LYS 1124Ca 0.21 -1.04 -0.17 0.00 0.00 0.00 0.00 55.97 54.97 1sdm s LYS 1124Cb -0.15 -2.00 -0.12 0.00 0.00 0.00 0.00 37.83 35.55 1sdm s LYS 1124CO 0.10 0.53 -0.11 1.17 0.00 0.00 0.00 175.35 177.04 1sdm n LYS 1125N 2.02 0.55 0.12 1.78 0.00 -1.26 -4.71 118.16 116.65 1sdm n LYS 1125Ca -0.17 0.42 0.05 0.00 0.00 0.00 0.00 58.31 58.62 1sdm n LYS 1125Cb 0.52 -1.62 0.02 0.00 0.00 0.00 0.00 35.03 33.94 1sdm n LYS 1125CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1sdm h GLU 1135N -1.00 0.00 -5.29 1.64 4.57 -2.08 -3.45 114.58 108.97 1sdm h GLU 1135Ca -0.35 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.18 1sdm h GLU 1135Cb 1.21 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.64 1sdm h GLU 1135CO -0.21 0.26 0.25 0.00 -1.18 0.00 0.00 179.01 178.14 1sdm s ALA 1136N -3.07 3.29 0.22 2.92 0.00 -1.26 -5.06 121.76 118.81 1sdm s ALA 1136Ca 0.02 -1.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.07 1sdm s ALA 1136Cb 0.08 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1sdm s ALA 1136CO 0.76 -2.19 1.64 0.00 0.00 0.00 0.00 175.76 175.97 1sdm n GLN 1137N 6.70 2.57 -1.67 0.00 10.64 -1.08 -4.92 117.38 129.61 1sdm n GLN 1137Ca -0.04 0.92 -0.33 0.00 -1.83 0.00 0.00 57.00 55.73 1sdm n GLN 1137Cb 0.46 -2.72 -0.04 0.00 -0.86 0.00 0.00 30.24 27.08 1sdm n GLN 1137CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1sdm n SER 1138N 3.31 7.28 -0.44 2.61 7.64 -1.26 -3.71 113.62 129.04 1sdm n SER 1138Ca 0.14 -3.08 0.04 0.00 1.01 0.00 0.00 58.87 56.99 1sdm n SER 1138Cb 0.34 -1.33 0.09 0.00 -1.01 0.00 0.00 64.21 62.30 1sdm n SER 1138CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sdm n ILE 1139N 1.58 0.76 -0.94 0.44 -6.64 -1.26 -4.44 119.36 108.86 1sdm n ILE 1139Ca 0.57 -0.88 -0.20 0.00 -1.77 0.00 0.00 62.75 60.47 1sdm n ILE 1139Cb 0.42 0.66 0.05 0.00 -1.44 0.00 0.00 39.64 39.32 1sdm n ILE 1139CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1sdm n ASN 1140N 0.30 6.57 -0.02 7.28 0.23 -1.24 -4.52 115.26 123.87 1sdm n ASN 1140Ca 0.08 -3.18 -0.13 0.00 -0.53 0.00 0.00 54.58 50.82 1sdm n ASN 1140Cb 0.34 -1.03 -0.00 0.00 -2.08 0.00 0.00 39.78 37.00 1sdm n ASN 1140CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1sdm h LYS 1141N 1.53 0.68 -0.02 -3.83 2.10 -1.91 -2.22 116.57 112.90 1sdm h LYS 1141Ca 0.34 -0.47 -0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1sdm h LYS 1141Cb 0.93 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1sdm h LYS 1141CO 0.89 1.09 0.00 0.66 -2.00 0.00 0.00 179.45 180.10 1sdm h SER 1142N 0.50 0.03 -0.55 7.07 4.64 -1.95 0.42 113.55 123.71 1sdm h SER 1142Ca -0.01 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1sdm h SER 1142Cb 1.22 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1sdm h SER 1142CO 0.13 0.30 0.24 -0.07 -0.87 0.00 0.00 176.83 176.55 1sdm h LEU 1143N -0.23 0.78 -0.69 5.97 -0.00 -1.90 0.42 115.31 119.66 1sdm h LEU 1143Ca 0.01 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.88 57.67 1sdm h LEU 1143Cb 0.28 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1sdm h LEU 1143CO 0.00 0.70 -0.25 -1.28 -0.00 0.00 0.00 178.44 177.60 1sdm h SER 1144N 0.84 0.76 -0.19 -0.43 0.87 -1.29 0.72 113.55 114.82 1sdm h SER 1144Ca 0.20 -0.28 -0.19 0.00 -1.23 0.00 0.00 61.79 60.29 1sdm h SER 1144Cb 0.16 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1sdm h SER 1144CO -0.02 0.98 -0.58 0.00 -0.53 0.00 0.00 176.83 176.68 1sdm h ALA 1145N 1.07 0.50 -0.83 6.23 0.00 0.61 -2.34 119.26 124.50 1sdm h ALA 1145Ca 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1sdm h ALA 1145Cb 0.76 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1sdm h ALA 1145CO 0.06 0.69 0.43 1.25 0.00 0.00 0.00 179.25 181.68 1sdm h LEU 1146N 0.60 1.06 -1.36 0.00 5.85 0.11 -1.78 115.31 119.79 1sdm h LEU 1146Ca 0.00 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1sdm h LEU 1146Cb 1.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1sdm h LEU 1146CO 0.12 0.87 -0.01 1.23 -0.34 0.00 0.00 178.44 180.31 1sdm h GLY 1147N 1.17 0.44 0.93 3.75 0.00 -0.68 -0.31 103.07 108.36 1sdm h GLY 1147Ca 0.29 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 1sdm h GLY 1147CO -0.04 0.23 -0.49 -0.55 0.00 0.00 0.00 176.54 175.69 1sdm h ASP 1148N 0.39 0.68 -0.32 0.19 3.32 -0.85 -2.14 116.42 117.69 1sdm h ASP 1148Ca 0.09 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1sdm h ASP 1148Cb 0.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1sdm h ASP 1148CO 0.01 1.17 0.12 0.58 -1.72 0.00 0.00 179.24 179.39 1sdm h VAL 1149N 0.23 1.19 -0.74 -1.35 2.07 -1.07 -1.01 116.25 115.57 1sdm h VAL 1149Ca -0.02 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1sdm h VAL 1149Cb 1.11 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1sdm h VAL 1149CO 0.10 0.21 0.48 0.40 0.02 0.00 0.00 177.57 178.78 1sdm h ILE 1150N 0.37 1.15 0.23 4.57 2.04 -1.08 -0.95 117.51 123.83 1sdm h ILE 1150Ca 0.11 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1sdm h ILE 1150Cb 0.21 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1sdm h ILE 1150CO -0.01 0.17 -0.11 0.28 0.00 0.00 0.00 178.15 178.49 1sdm h SER 1151N 0.96 -0.26 -0.52 1.72 0.02 -1.14 0.06 113.55 114.38 1sdm h SER 1151Ca 0.28 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1sdm h SER 1151Cb -0.05 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 1sdm h SER 1151CO -0.08 -0.03 0.20 0.00 -1.14 0.00 0.00 176.83 175.78 1sdm h ALA 1152N 0.22 0.65 -0.55 3.77 0.00 -1.02 -0.14 119.26 122.20 1sdm h ALA 1152Ca -0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1sdm h ALA 1152Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sdm h ALA 1152CO 0.05 -0.19 0.08 -0.07 0.00 0.00 0.00 179.25 179.12 1sdm h LEU 1153N 0.38 0.89 -1.09 0.00 3.38 -1.13 0.12 115.31 117.86 1sdm h LEU 1153Ca 0.25 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sdm h LEU 1153Cb 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1sdm h LEU 1153CO -0.25 0.93 0.61 -1.28 0.09 0.00 0.00 178.44 178.55 1sdm h SER 1154N 0.81 1.03 0.41 -0.43 0.87 -0.18 -1.56 113.55 114.50 1sdm h SER 1154Ca 0.17 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1sdm h SER 1154Cb 0.43 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1sdm h SER 1154CO 0.01 0.72 -0.12 -1.20 -0.53 0.00 0.00 176.83 175.71 1sdm n SER 1155N -4.42 0.45 -0.36 6.23 7.64 -0.14 -4.85 113.62 118.16 1sdm n SER 1155Ca 0.12 -0.49 -0.04 0.00 1.01 0.00 0.00 58.87 59.47 1sdm n SER 1155Cb 0.07 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1sdm n SER 1155CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sdm n GLY 1156N 1.30 0.53 3.75 0.23 0.00 -0.59 -5.01 105.19 105.40 1sdm n GLY 1156Ca 0.13 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1sdm n GLY 1156CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdm s ASN 1157N -2.91 4.93 0.22 1.61 0.02 -0.04 -4.94 114.94 113.82 1sdm s ASN 1157Ca 0.00 2.37 0.16 0.00 -1.02 0.00 0.00 52.86 54.37 1sdm s ASN 1157Cb 0.00 -2.59 0.01 0.00 0.02 0.00 0.00 41.25 38.68 1sdm s ASN 1157CO 0.00 -1.77 1.26 -0.61 0.02 0.00 0.00 177.10 176.00 1sdm h GLN 1158N 0.55 0.00 -4.92 -0.60 5.75 -1.95 -3.44 115.11 110.50 1sdm h GLN 1158Ca -0.50 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.36 1sdm h GLN 1158Cb 1.30 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.67 1sdm h GLN 1158CO 0.54 0.43 -0.53 -1.58 -2.65 0.00 0.00 178.83 175.04 1sdm s HIS 1159N -2.96 3.21 -0.24 3.99 2.46 -1.26 -4.64 115.29 115.85 1sdm s HIS 1159Ca 0.02 0.07 -0.04 0.00 0.47 0.00 0.00 55.06 55.58 1sdm s HIS 1159Cb 0.08 -2.35 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 1sdm s HIS 1159CO 0.77 -0.16 -0.03 0.42 -2.47 0.00 0.00 174.74 173.26 1sdm s ILE 1160N 1.67 3.31 -1.14 0.89 -1.09 -0.79 -4.90 121.20 119.14 1sdm s ILE 1160Ca 0.07 -0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 57.72 1sdm s ILE 1160Cb -0.16 -2.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.07 1sdm s ILE 1160CO 0.10 0.30 2.35 -0.81 -1.23 0.00 0.00 174.94 175.65 1sdm n PRO 1161N 4.77 2.56 0.06 2.79 -0.04 -1.26 -4.10 135.00 139.77 1sdm n PRO 1161Ca -0.17 -1.75 -0.03 0.00 -0.04 0.00 0.00 63.50 61.50 1sdm n PRO 1161Cb 0.49 -2.62 0.20 0.00 -0.04 0.00 0.00 33.50 31.53 1sdm n PRO 1161CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1sdm h TYR 1162N 6.02 0.41 0.00 0.54 0.05 -1.88 -3.14 116.97 118.98 1sdm h TYR 1162Ca 0.61 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 59.28 1sdm h TYR 1162Cb 0.25 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1sdm h TYR 1162CO 1.87 0.69 0.00 0.54 -1.05 0.00 0.00 178.16 180.20 1sdm n ARG 1163N -4.04 0.63 0.07 4.88 1.74 -1.26 -3.34 116.66 115.33 1sdm n ARG 1163Ca -0.01 0.02 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1sdm n ARG 1163Cb 0.47 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.79 1sdm n ARG 1163CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1sdm n ASN 1164N -1.14 0.31 -3.59 0.55 4.13 -1.19 -4.79 115.26 109.55 1sdm n ASN 1164Ca 0.17 0.59 -0.09 0.00 1.68 0.00 0.00 54.58 56.93 1sdm n ASN 1164Cb 0.15 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 37.69 1sdm n ASN 1164CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1sdm s HIS 1165N -3.17 -0.29 0.43 3.10 2.46 -1.23 -4.98 115.29 111.60 1sdm s HIS 1165Ca 0.04 0.48 0.09 0.00 0.47 0.00 0.00 55.06 56.15 1sdm s HIS 1165Cb 0.08 0.47 0.95 0.00 -0.13 0.00 0.00 32.58 33.95 1sdm s HIS 1165CO 0.28 -0.29 2.06 0.87 -2.47 0.00 0.00 174.74 175.20 1sdm h LYS 1166N 2.41 0.37 0.01 2.88 1.57 -1.86 -2.23 116.57 119.72 1sdm h LYS 1166Ca -0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1sdm h LYS 1166Cb 1.17 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1sdm h LYS 1166CO 0.29 0.27 -0.05 1.25 -0.57 0.00 0.00 179.45 180.64 1sdm h LEU 1167N 0.38 -0.15 -1.93 2.94 5.85 -1.92 -0.00 115.31 120.48 1sdm h LEU 1167Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1sdm h LEU 1167Cb 0.00 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1sdm h LEU 1167CO -0.02 -0.08 -0.03 0.71 -0.34 0.00 0.00 178.44 178.68 1sdm h THR 1168N -0.10 0.13 0.08 1.05 1.35 -1.67 -1.86 112.91 111.89 1sdm h THR 1168Ca 0.02 -0.42 -0.28 0.00 -0.55 0.00 0.00 66.41 65.18 1sdm h THR 1168Cb 0.12 1.36 0.03 0.00 -1.73 0.00 0.00 68.15 67.93 1sdm h THR 1168CO -0.05 0.03 -1.14 0.24 -0.25 0.00 0.00 175.52 174.35 1sdm h MET 1169N 0.00 0.64 0.00 4.72 2.86 -0.75 -2.61 114.93 119.79 1sdm h MET 1169Ca -0.00 -0.79 -0.05 0.00 -2.06 0.00 0.00 59.70 56.80 1sdm h MET 1169Cb 0.36 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1sdm h MET 1169CO 0.00 1.35 -0.23 -0.07 1.06 0.00 0.00 176.91 179.02 1sdm h LEU 1170N 0.28 0.00 -2.87 1.22 -0.00 -0.38 -2.27 115.31 111.29 1sdm h LEU 1170Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1sdm h LEU 1170Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.48 1sdm h LEU 1170CO 0.22 0.23 0.00 0.23 -0.00 0.00 0.00 178.44 179.12 1sdm n MET 1171N -3.80 3.68 -0.22 1.13 2.81 -0.76 -4.55 117.12 115.42 1sdm n MET 1171Ca -0.02 -2.52 0.02 0.00 -1.81 0.00 0.00 57.70 53.37 1sdm n MET 1171Cb 0.33 -1.93 0.13 0.00 -0.71 0.00 0.00 33.22 31.04 1sdm n MET 1171CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1sdm h SER 1172N 3.46 0.18 0.23 7.83 0.02 -1.01 -0.66 113.55 123.61 1sdm h SER 1172Ca 0.00 0.10 -0.31 0.00 -0.84 0.00 0.00 61.79 60.73 1sdm h SER 1172Cb 1.45 0.09 0.03 0.00 0.14 0.00 0.00 62.40 64.11 1sdm h SER 1172CO 0.28 0.09 -1.41 -2.24 -1.14 0.00 0.00 176.83 172.41 1sdm h ASP 1173N 0.38 0.76 -0.41 3.07 3.04 -1.80 -3.22 116.42 118.24 1sdm h ASP 1173Ca 0.34 -0.93 0.06 0.00 -3.24 0.00 0.00 57.03 53.26 1sdm h ASP 1173Cb 0.48 -0.25 -0.05 0.00 -1.04 0.00 0.00 39.33 38.47 1sdm h ASP 1173CO -0.36 1.67 0.12 0.28 -2.04 0.00 0.00 179.24 178.91 1sdm h SER 1174N 0.05 0.10 -3.33 4.15 0.02 -1.80 -2.31 113.55 110.41 1sdm h SER 1174Ca -0.25 0.06 -0.76 0.00 -0.84 0.00 0.00 61.79 59.99 1sdm h SER 1174Cb 2.07 0.06 -0.25 0.00 0.14 0.00 0.00 62.40 64.42 1sdm h SER 1174CO 0.24 0.09 -0.15 -0.76 -1.14 0.00 0.00 176.83 175.12 1sdm s LEU 1175N -10.36 6.30 0.00 5.07 1.02 -0.27 -4.62 118.68 115.81 1sdm s LEU 1175Ca -0.13 -2.08 0.00 0.00 0.02 0.00 0.00 54.13 51.94 1sdm s LEU 1175Cb 0.13 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1sdm s LEU 1175CO 0.72 -0.76 0.00 0.61 0.02 0.00 0.00 176.35 176.94 1sdm n GLY 1176N 4.83 3.24 0.00 -3.19 0.00 -1.26 -4.79 105.19 104.02 1sdm n GLY 1176Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1sdm n GLY 1176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdm n GLY 1177N -1.67 1.40 3.53 -0.02 0.00 -0.87 -4.27 105.19 103.29 1sdm n GLY 1177Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1sdm n GLY 1177CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sdm s ASN 1178N -1.00 6.70 -0.08 1.61 2.47 -1.25 -1.78 114.94 121.61 1sdm s ASN 1178Ca 0.00 -2.08 -0.31 0.00 0.42 0.00 0.00 52.86 50.90 1sdm s ASN 1178Cb 0.00 -2.51 0.12 0.00 -1.45 0.00 0.00 41.25 37.41 1sdm s ASN 1178CO 0.00 -1.21 1.00 0.00 -3.72 0.00 0.00 177.10 173.17 1sdm s ALA 1179N 3.78 -1.91 -0.24 1.71 0.00 -1.26 -4.62 121.76 119.22 1sdm s ALA 1179Ca 0.45 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.63 1sdm s ALA 1179Cb -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1sdm s ALA 1179CO -0.04 -0.60 0.03 0.15 0.00 0.00 0.00 175.76 175.30 1sdm s LYS 1180N -2.59 3.55 -0.02 0.00 1.02 0.13 -4.21 119.74 117.62 1sdm s LYS 1180Ca 0.05 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.58 1sdm s LYS 1180Cb -0.01 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1sdm s LYS 1180CO -0.06 -0.19 -0.22 0.99 -0.92 0.00 0.00 175.35 174.95 1sdm s THR 1181N 1.56 2.43 -0.10 2.17 2.01 -1.26 -1.76 115.64 120.70 1sdm s THR 1181Ca 0.06 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1sdm s THR 1181Cb -0.15 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1sdm s THR 1181CO 0.01 0.54 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.16 1sdm s LEU 1182N -0.79 1.41 -0.08 4.42 2.96 -0.77 -1.41 118.68 124.41 1sdm s LEU 1182Ca 0.11 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1sdm s LEU 1182Cb -0.10 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 1sdm s LEU 1182CO 0.00 -0.06 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.62 1sdm s MET 1183N 1.29 2.91 -0.21 1.98 -2.45 -0.29 -2.17 119.30 120.37 1sdm s MET 1183Ca -0.02 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 53.87 1sdm s MET 1183Cb -0.14 -2.69 -0.02 0.00 1.25 0.00 0.00 34.83 33.22 1sdm s MET 1183CO -0.04 0.65 0.00 -0.06 1.05 0.00 0.00 175.02 176.62 1sdm s PHE 1184N -0.74 3.04 -0.37 4.11 0.40 0.19 -0.32 117.98 124.29 1sdm s PHE 1184Ca 0.11 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1sdm s PHE 1184Cb -0.11 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.34 1sdm s PHE 1184CO 0.02 -0.28 0.19 0.54 0.70 0.00 0.00 175.22 176.39 1sdm s VAL 1185N 1.12 4.42 -0.15 -0.44 0.11 0.47 -0.58 120.40 125.34 1sdm s VAL 1185Ca 0.03 -0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 1sdm s VAL 1185Cb -0.14 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1sdm s VAL 1185CO 0.01 -0.25 0.57 0.20 -3.33 0.00 0.00 175.10 172.31 1sdm s ASN 1186N 1.55 6.71 -0.05 3.54 -0.87 0.49 -1.40 114.94 124.92 1sdm s ASN 1186Ca 0.01 0.86 0.03 0.00 -1.57 0.00 0.00 52.86 52.19 1sdm s ASN 1186Cb -0.19 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 1sdm s ASN 1186CO 0.06 -0.14 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.68 1sdm s ILE 1187N 1.24 1.23 -0.10 0.60 -1.09 -0.90 -4.26 121.20 117.92 1sdm s ILE 1187Ca 0.28 -0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 1sdm s ILE 1187Cb -0.16 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 1sdm s ILE 1187CO 0.11 0.37 0.49 -0.55 -1.23 0.00 0.00 174.94 174.13 1sdm s SER 1188N 0.32 6.72 0.43 3.58 0.15 -1.26 -3.49 113.70 120.15 1sdm s SER 1188Ca -0.08 0.85 0.24 0.00 0.70 0.00 0.00 55.95 57.66 1sdm s SER 1188Cb -0.13 -2.29 0.84 0.00 -1.71 0.00 0.00 66.02 62.73 1sdm s SER 1188CO 0.03 0.02 1.79 1.55 1.20 0.00 0.00 173.24 177.83 1sdm h PRO 1189N 6.57 0.00 -6.78 5.44 0.13 -1.90 -3.45 132.00 132.01 1sdm h PRO 1189Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 1sdm h PRO 1189Cb 1.18 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.43 1sdm h PRO 1189CO 0.75 0.22 0.50 0.00 -0.23 0.00 0.00 178.00 179.24 1sdm n ALA 1190N -2.21 1.30 -0.22 -0.56 0.00 -1.26 -1.54 120.51 116.01 1sdm n ALA 1190Ca 0.01 0.32 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 1sdm n ALA 1190Cb 0.45 -2.26 0.22 0.00 0.00 0.00 0.00 19.45 17.86 1sdm n ALA 1190CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sdm h GLU 1191N 2.36 1.01 0.00 0.00 4.81 -1.76 -2.26 114.58 118.73 1sdm h GLU 1191Ca -0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1sdm h GLU 1191Cb 1.29 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1sdm h GLU 1191CO 0.61 0.70 0.00 -1.13 -0.73 0.00 0.00 179.01 178.46 1sdm n SER 1192N -4.39 0.06 -0.89 1.04 3.41 -1.26 -1.92 113.62 109.67 1sdm n SER 1192Ca 0.08 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 1sdm n SER 1192Cb 0.06 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.65 1sdm n SER 1192CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sdm n ASN 1193N -1.57 3.05 -0.33 4.04 3.02 -0.85 -4.56 115.26 118.05 1sdm n ASN 1193Ca 0.02 -1.89 0.18 0.00 -0.03 0.00 0.00 54.58 52.86 1sdm n ASN 1193Cb 0.12 -0.21 0.42 0.00 -0.61 0.00 0.00 39.78 39.50 1sdm n ASN 1193CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sdm h LEU 1194N 3.35 0.60 0.54 3.41 6.46 -1.43 0.15 115.31 128.39 1sdm h LEU 1194Ca 0.00 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1sdm h LEU 1194Cb 0.81 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1sdm h LEU 1194CO 0.00 0.17 -0.26 0.44 -0.62 0.00 0.00 178.44 178.17 1sdm h ASP 1195N 0.57 -0.61 -0.26 1.25 3.32 -1.84 0.25 116.42 119.09 1sdm h ASP 1195Ca 0.58 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.60 1sdm h ASP 1195Cb 1.18 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 1sdm h ASP 1195CO -0.34 -0.41 0.09 -0.33 -1.72 0.00 0.00 179.24 176.53 1sdm h GLU 1196N -0.77 0.49 -0.60 3.56 4.39 -1.72 -1.97 114.58 117.95 1sdm h GLU 1196Ca -0.07 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1sdm h GLU 1196Cb 0.58 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1sdm h GLU 1196CO 0.12 0.45 0.12 1.15 -1.16 0.00 0.00 179.01 179.69 1sdm h THR 1197N 0.48 1.26 -0.45 1.13 2.02 -0.41 -1.27 112.91 115.67 1sdm h THR 1197Ca 0.11 -0.96 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 1sdm h THR 1197Cb 0.18 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1sdm h THR 1197CO -0.00 0.35 -0.16 -0.74 0.37 0.00 0.00 175.52 175.34 1sdm h HIS 1198N 0.88 0.95 -0.39 3.16 -0.00 -0.46 -1.33 115.15 117.97 1sdm h HIS 1198Ca 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1sdm h HIS 1198Cb 0.39 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1sdm h HIS 1198CO 0.03 0.94 0.15 -0.91 -0.00 0.00 0.00 177.93 178.14 1sdm h ASN 1199N 0.76 0.54 0.01 3.26 2.35 -1.11 -1.63 115.58 119.76 1sdm h ASN 1199Ca 0.12 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1sdm h ASN 1199Cb 0.67 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1sdm h ASN 1199CO 0.05 0.57 -0.04 0.28 -1.65 0.00 0.00 177.43 176.64 1sdm h SER 1200N 0.48 -0.10 -0.56 5.81 0.02 -1.01 -1.74 113.55 116.46 1sdm h SER 1200Ca 0.13 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1sdm h SER 1200Cb 0.20 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1sdm h SER 1200CO -0.01 -0.06 0.37 -0.07 -1.14 0.00 0.00 176.83 175.92 1sdm h LEU 1201N -0.07 0.62 0.05 5.07 3.38 -1.16 -0.31 115.31 122.89 1sdm h LEU 1201Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sdm h LEU 1201Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sdm h LEU 1201CO -0.03 0.45 -0.02 0.74 0.09 0.00 0.00 178.44 179.66 1sdm h THR 1202N 0.73 1.13 -0.81 0.22 2.02 -0.94 -1.14 112.91 114.12 1sdm h THR 1202Ca 0.21 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1sdm h THR 1202Cb -0.05 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1sdm h THR 1202CO -0.05 0.15 0.46 1.88 0.37 0.00 0.00 175.52 178.33 1sdm h TYR 1203N -0.33 1.09 -0.81 3.16 -1.99 -0.86 -2.40 116.97 114.82 1sdm h TYR 1203Ca -0.01 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1sdm h TYR 1203Cb 0.30 -0.35 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 1sdm h TYR 1203CO 0.01 0.75 0.47 0.00 -0.00 0.00 0.00 178.16 179.40 1sdm h ALA 1204N 1.24 1.04 0.00 3.88 0.00 -0.95 -1.84 119.26 122.63 1sdm h ALA 1204Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sdm h ALA 1204Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1sdm h ALA 1204CO -0.05 0.52 -0.22 0.77 0.00 0.00 0.00 179.25 180.27 1sdm h SER 1205N 1.12 0.00 0.44 0.00 0.02 -0.84 -1.96 113.55 112.34 1sdm h SER 1205Ca 0.29 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 1sdm h SER 1205Cb -0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1sdm h SER 1205CO -0.05 0.22 -0.78 0.03 -1.14 0.00 0.00 176.83 175.11 1sdm h ARG 1206N 0.00 0.26 -0.55 3.45 3.08 -0.88 -3.15 114.38 116.60 1sdm h ARG 1206Ca -0.00 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1sdm h ARG 1206Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1sdm h ARG 1206CO 0.03 0.91 0.07 0.28 -1.07 0.00 0.00 179.97 180.20 1sdm h VAL 1207N 0.17 1.24 -0.10 2.04 2.07 -0.64 -2.51 116.25 118.52 1sdm h VAL 1207Ca -0.03 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1sdm h VAL 1207Cb 1.36 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1sdm h VAL 1207CO 0.12 0.34 0.10 0.03 0.02 0.00 0.00 177.57 178.19 1sdm h ARG 1208N 0.83 0.00 -0.41 1.57 3.08 -1.41 -0.18 114.38 117.85 1sdm h ARG 1208Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1sdm h ARG 1208Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1sdm h ARG 1208CO 0.01 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.78 1sdm n SER 1209N -3.99 2.17 -4.71 7.04 3.41 -0.94 -3.65 113.62 112.94 1sdm n SER 1209Ca -0.00 -2.03 -0.39 0.00 -0.26 0.00 0.00 58.87 56.19 1sdm n SER 1209Cb 0.21 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1sdm n SER 1209CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sdm s ILE 1210N -1.51 5.12 -0.40 -1.33 1.01 -0.08 -4.74 121.20 119.28 1sdm s ILE 1210Ca 0.26 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 1sdm s ILE 1210Cb 0.14 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.75 1sdm s ILE 1210CO 0.17 0.28 0.24 -0.69 0.00 0.00 0.00 174.94 174.95 1sdm s VAL 1211N 0.79 4.49 0.71 2.92 1.01 -1.26 -2.06 120.40 127.00 1sdm s VAL 1211Ca 0.30 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1sdm s VAL 1211Cb -0.16 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.67 1sdm s VAL 1211CO 0.13 -0.38 1.02 0.20 0.00 0.00 0.00 175.10 176.08 1sdm s ASN 1212N 1.87 4.79 -0.54 3.32 -0.87 -1.26 -4.80 114.94 117.45 1sdm s ASN 1212Ca 0.02 0.45 0.06 0.00 -1.57 0.00 0.00 52.86 51.83 1sdm s ASN 1212Cb -0.21 -1.09 0.23 0.00 -0.02 0.00 0.00 41.25 40.16 1sdm s ASN 1212CO 0.05 -1.62 0.60 -0.67 -2.57 0.00 0.00 177.10 172.89 1sdm n ASP 1213N -2.94 2.06 -4.75 -1.22 2.03 -0.74 -4.99 116.55 106.01 1sdm n ASP 1213Ca 0.08 -3.06 -0.34 0.00 0.52 0.00 0.00 54.79 51.99 1sdm n ASP 1213Cb 0.60 -0.66 0.06 0.00 -0.72 0.00 0.00 41.12 40.41 1sdm n ASP 1213CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1sdm s PRO 1214N -1.69 2.57 -0.27 -0.67 0.04 -1.26 -4.21 135.00 129.51 1sdm s PRO 1214Ca 0.36 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1sdm s PRO 1214Cb 0.12 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.85 1sdm s PRO 1214CO -0.08 -1.47 0.83 0.45 0.04 0.00 0.00 177.00 176.77 1sdm s SER 1215N -2.18 -0.64 -0.07 6.66 0.15 -1.26 -4.92 113.70 111.44 1sdm s SER 1215Ca 0.72 1.22 -0.30 0.00 0.70 0.00 0.00 55.95 58.29 1sdm s SER 1215Cb -0.25 1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 1sdm s SER 1215CO 0.41 -0.22 1.54 -0.54 1.20 0.00 0.00 173.24 175.63 1sdm s LYS 1216N 0.28 4.20 -0.57 5.44 1.02 -1.26 -4.57 119.74 124.28 1sdm s LYS 1216Ca 0.01 2.05 -0.28 0.00 0.02 0.00 0.00 55.97 57.77 1sdm s LYS 1216Cb -0.05 -3.88 0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1sdm s LYS 1216CO -0.01 -0.78 1.24 -0.80 -0.92 0.00 0.00 175.35 174.07 1sdm s ASN 1217N 2.85 6.39 0.16 2.83 0.01 -0.04 -4.98 114.94 122.16 1sdm s ASN 1217Ca 0.68 0.18 0.10 0.00 -0.71 0.00 0.00 52.86 53.11 1sdm s ASN 1217Cb -0.31 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.76 1sdm s ASN 1217CO 0.26 -1.52 -0.17 0.68 -1.51 0.00 0.00 177.10 174.84 1sdm s VAL 1218N 5.17 2.80 0.06 1.60 -7.23 -1.26 -0.75 120.40 120.79 1sdm s VAL 1218Ca 0.46 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1sdm s VAL 1218Cb -0.08 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1sdm s VAL 1218CO 0.26 -0.03 0.02 -0.44 -0.31 0.00 0.00 175.10 174.60 1sdm s SER 1219N -2.52 0.39 0.44 4.85 0.01 0.87 -4.99 113.70 112.75 1sdm s SER 1219Ca 0.21 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1sdm s SER 1219Cb -0.09 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1sdm s SER 1219CO 0.12 -0.61 0.31 -1.54 0.41 0.00 0.00 173.24 171.93 1sdm n SER 1220N 0.17 2.47 0.19 2.44 3.41 -1.26 -0.38 113.62 120.66 1sdm n SER 1220Ca -0.15 -2.55 -0.16 0.00 -0.26 0.00 0.00 58.87 55.75 1sdm n SER 1220Cb 0.61 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1sdm n SER 1220CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sdm h LYS 1221N 0.00 -0.74 -0.68 4.33 1.57 -1.90 -3.03 116.57 116.13 1sdm h LYS 1221Ca -0.29 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1sdm h LYS 1221Cb 1.03 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1sdm h LYS 1221CO 0.45 -0.49 0.38 1.49 -0.57 0.00 0.00 179.45 180.71 1sdm h GLU 1222N -0.77 0.69 -0.49 3.15 4.57 -1.96 -2.47 114.58 117.29 1sdm h GLU 1222Ca -0.01 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 1sdm h GLU 1222Cb 0.73 -0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 29.08 1sdm h GLU 1222CO -0.15 0.45 -0.05 0.28 -1.18 0.00 0.00 179.01 178.36 1sdm h VAL 1223N 0.71 0.57 0.60 0.32 2.07 -1.94 -2.31 116.25 116.27 1sdm h VAL 1223Ca 0.30 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1sdm h VAL 1223Cb 0.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1sdm h VAL 1223CO -0.18 0.01 -0.46 0.00 0.02 0.00 0.00 177.57 176.96 1sdm h ALA 1224N 1.46 -1.19 -0.56 1.67 0.00 -1.33 -2.44 119.26 116.87 1sdm h ALA 1224Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1sdm h ALA 1224Cb 0.37 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1sdm h ALA 1224CO -0.45 -1.18 -0.49 -0.09 0.00 0.00 0.00 179.25 177.04 1sdm h ARG 1225N -1.03 -0.26 -0.91 0.00 9.65 -1.23 -1.49 114.38 119.12 1sdm h ARG 1225Ca -0.08 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1sdm h ARG 1225Cb 0.86 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.44 1sdm h ARG 1225CO 0.02 -0.17 0.59 -0.07 2.80 0.00 0.00 179.97 183.14 1sdm h LEU 1226N -0.26 0.99 0.01 3.80 4.07 -1.46 -3.03 115.31 119.43 1sdm h LEU 1226Ca 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1sdm h LEU 1226Cb 0.56 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1sdm h LEU 1226CO -0.68 0.69 -0.03 0.50 -1.08 0.00 0.00 178.44 177.84 1sdm h LYS 1227N 1.16 -0.06 0.00 1.13 3.64 -0.79 -2.66 116.57 119.00 1sdm h LYS 1227Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1sdm h LYS 1227Cb -0.04 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1sdm h LYS 1227CO -0.11 -0.04 0.00 1.17 -2.27 0.00 0.00 179.45 178.20 1sdm n LYS 1228N -5.14 0.44 0.00 1.90 4.81 -0.73 -0.73 118.16 118.71 1sdm n LYS 1228Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1sdm n LYS 1228Cb 0.07 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1sdm n LYS 1228CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sdm n LEU 1229N -1.00 0.34 -0.01 3.14 4.77 -1.13 -4.62 117.00 118.49 1sdm n LEU 1229Ca 0.11 -0.61 0.04 0.00 -0.03 0.00 0.00 56.01 55.52 1sdm n LEU 1229Cb 0.05 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.56 1sdm n LEU 1229CO 0.08 0.08 1.17 -0.37 -1.33 0.00 0.00 177.39 177.02 1sdm h VAL 1230N 0.04 1.10 -0.00 4.08 -1.51 -0.58 0.10 116.25 119.49 1sdm h VAL 1230Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1sdm h VAL 1230Cb 0.02 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1sdm h VAL 1230CO 0.00 0.10 -0.00 -1.54 -1.23 0.00 0.00 177.57 174.90 1sdm n SER 1231N -4.47 0.02 -2.90 4.19 3.41 -1.26 -3.98 113.62 108.63 1sdm n SER 1231Ca 0.03 -0.82 -0.23 0.00 -0.26 0.00 0.00 58.87 57.59 1sdm n SER 1231Cb 0.06 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1sdm n SER 1231CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sdm n TYR 1232N -1.04 1.26 -2.88 7.33 9.36 0.35 -5.21 117.16 126.33 1sdm n TYR 1232Ca 0.22 -2.03 -0.23 0.00 3.32 0.00 0.00 57.90 59.18 1sdm n TYR 1232Cb 0.14 -1.79 0.02 0.00 -0.63 0.00 0.00 39.34 37.08 1sdm n TYR 1232CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 1sdm n TRP 1233N 3.55 -1.61 0.00 2.98 2.14 -1.26 -5.06 117.44 118.19 1sdm n TRP 1233Ca 0.51 0.67 0.00 0.00 2.07 0.00 0.00 57.50 60.75 1sdm n TRP 1233Cb 0.32 -1.35 0.00 0.00 -0.81 0.00 0.00 31.31 29.48 1sdm n TRP 1233CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1sdm n GLU 1245N -0.70 0.00 -1.61 -2.67 0.00 -1.26 -5.00 120.64 109.40 1sdm n GLU 1245Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.66 1sdm n GLU 1245Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.93 1sdm n GLU 1245CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1sdm n LEU 1246N -0.11 3.18 -4.44 4.31 4.77 -1.26 -4.70 117.00 118.75 1sdm n LEU 1246Ca 0.00 0.88 -0.26 0.00 -0.03 0.00 0.00 56.01 56.60 1sdm n LEU 1246Cb 0.00 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 39.61 1sdm n LEU 1246CO 0.00 -1.79 -0.51 -1.61 -1.33 0.00 0.00 177.39 172.15 1sdm s GLU 1247N -2.47 1.59 0.52 3.23 2.02 0.45 -4.95 118.70 119.10 1sdm s GLU 1247Ca 0.71 -1.63 -0.21 0.00 0.02 0.00 0.00 54.97 53.85 1sdm s GLU 1247Cb -0.46 -1.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.90 1sdm s GLU 1247CO 0.51 0.37 1.20 -1.21 0.02 0.00 0.00 175.26 176.15 1sdm s GLU 1248N -3.04 3.40 0.33 1.61 0.41 -1.26 -1.61 118.70 118.53 1sdm s GLU 1248Ca 0.25 1.82 -0.29 0.00 -0.41 0.00 0.00 54.97 56.34 1sdm s GLU 1248Cb -0.07 -2.19 -0.11 0.00 -1.78 0.00 0.00 34.13 29.98 1sdm s GLU 1248CO 0.12 -0.86 1.50 0.42 -0.49 0.00 0.00 175.26 175.95 1sdm s ILE 1249N -1.56 2.21 0.08 -1.63 -1.09 -1.26 -4.75 121.20 113.19 1sdm s ILE 1249Ca 0.70 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 59.29 1sdm s ILE 1249Cb -0.30 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1sdm s ILE 1249CO 0.35 0.04 0.27 -1.58 -1.23 0.00 0.00 174.94 172.78 1sdm s GLN 1250N -1.27 3.51 -0.64 2.79 0.74 -1.26 -4.97 119.66 118.55 1sdm s GLN 1250Ca 0.57 -0.29 -0.02 0.00 0.05 0.00 0.00 55.36 55.67 1sdm s GLN 1250Cb -0.46 -2.98 0.37 0.00 1.10 0.00 0.00 33.01 31.04 1sdm s GLN 1250CO 0.54 0.57 2.08 -0.25 -0.55 0.00 0.00 175.29 177.68 1sdm n ASP 1251N 0.33 7.40 0.00 6.67 9.92 -1.26 -4.74 116.55 134.87 1sdm n ASP 1251Ca -0.05 -3.65 0.00 0.00 -0.53 0.00 0.00 54.79 50.56 1sdm n ASP 1251Cb 0.51 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1sdm n ASP 1251CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54