#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w18 s LEU 855 N 0.00 2.29 -0.17 3.41 1.02 -1.26 -0.55 118.68 123.42 2w18 s LEU 855 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.58 2w18 s LEU 855 Cb 0.00 -1.53 0.02 0.00 0.02 0.00 0.00 46.19 44.70 2w18 s LEU 855 CO 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 176.35 176.19 2w18 s GLN 856 N 1.21 3.02 0.07 1.70 -2.07 -0.65 -4.93 119.66 118.01 2w18 s GLN 856 Ca 0.03 -0.82 -0.31 0.00 -1.82 0.00 0.00 55.36 52.44 2w18 s GLN 856 Cb -0.14 -2.57 -0.09 0.00 -1.09 0.00 0.00 33.01 29.12 2w18 s GLN 856 CO -0.09 -0.17 1.79 -1.17 -1.32 0.00 0.00 175.29 174.33 2w18 s LEU 857 N 1.20 4.39 0.00 2.60 2.96 -1.26 -0.13 118.68 128.43 2w18 s LEU 857 Ca 0.02 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 2w18 s LEU 857 Cb -0.14 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2w18 s LEU 857 CO -0.10 -0.97 0.00 1.33 -1.32 0.00 0.00 176.35 175.29 2w18 n VAL 858 N 4.97 0.00 -3.56 1.68 0.24 0.35 -4.90 118.33 117.11 2w18 n VAL 858 Ca 0.18 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.34 2w18 n VAL 858 Cb 0.40 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 33.25 2w18 n VAL 858 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2w18 s SER 859 N -1.61 -0.36 0.07 -1.34 1.04 -1.13 -4.36 113.70 106.01 2w18 s SER 859 Ca 0.00 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 2w18 s SER 859 Cb 0.00 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2w18 s SER 859 CO 0.00 -0.78 0.43 -1.83 0.98 0.00 0.00 173.24 172.04 2w18 s GLU 860 N -3.31 0.98 -0.05 4.02 -1.05 -0.64 -0.91 118.70 117.74 2w18 s GLU 860 Ca 0.06 -0.42 -0.00 0.00 -0.15 0.00 0.00 54.97 54.46 2w18 s GLU 860 Cb -0.01 0.44 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2w18 s GLU 860 CO -0.07 -0.35 -0.01 -1.17 0.95 0.00 0.00 175.26 174.61 2w18 s LEU 861 N -2.20 0.95 -0.17 1.83 0.20 0.21 -4.03 118.68 115.48 2w18 s LEU 861 Ca -0.03 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.68 2w18 s LEU 861 Cb -0.00 -0.34 -0.03 0.00 -0.43 0.00 0.00 46.19 45.39 2w18 s LEU 861 CO -0.05 -0.13 -0.02 -1.59 -0.29 0.00 0.00 176.35 174.28 2w18 s LYS 862 N 1.38 3.70 -0.42 1.98 0.00 -1.26 -0.97 119.74 124.14 2w18 s LYS 862 Ca -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 55.97 55.49 2w18 s LYS 862 Cb -0.13 -2.99 0.20 0.00 0.00 0.00 0.00 37.83 34.91 2w18 s LYS 862 CO -0.02 0.20 0.48 -1.71 0.00 0.00 0.00 175.35 174.29 2w18 n ASN 863 N 3.69 -0.81 -4.53 0.03 5.15 -1.22 -4.98 115.26 112.59 2w18 n ASN 863 Ca -0.17 -2.60 -0.43 0.00 -0.60 0.00 0.00 54.58 50.78 2w18 n ASN 863 Cb 0.52 -0.14 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 2w18 n ASN 863 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2w18 s PRO 864 N -0.18 3.37 0.47 1.20 0.05 -1.26 -4.25 135.00 134.41 2w18 s PRO 864 Ca 0.33 -0.19 0.01 0.00 0.05 0.00 0.00 61.00 61.21 2w18 s PRO 864 Cb 0.09 -4.01 0.01 0.00 0.05 0.00 0.00 34.50 30.64 2w18 s PRO 864 CO -0.16 -1.34 0.11 -1.13 0.05 0.00 0.00 177.00 174.53 2w18 n SER 865 N 7.17 3.07 -0.11 6.66 3.41 -1.26 -5.03 113.62 127.53 2w18 n SER 865 Ca 0.02 -2.92 -0.04 0.00 -0.26 0.00 0.00 58.87 55.67 2w18 n SER 865 Cb 0.48 0.22 0.16 0.00 -0.26 0.00 0.00 64.21 64.80 2w18 n SER 865 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2w18 h GLY 866 N 0.95 0.87 -2.96 5.00 0.00 -2.00 -3.46 103.07 101.46 2w18 h GLY 866 Ca -0.36 -0.57 -0.48 0.00 0.00 0.00 0.00 47.33 45.91 2w18 h GLY 866 CO 0.59 0.53 -0.48 -1.35 0.00 0.00 0.00 176.54 175.84 2w18 s SER 867 N -6.64 5.79 0.26 0.19 1.04 -1.26 -5.06 113.70 108.03 2w18 s SER 867 Ca -0.10 -0.16 -0.31 0.00 0.48 0.00 0.00 55.95 55.87 2w18 s SER 867 Cb 0.15 -1.51 -0.11 0.00 0.10 0.00 0.00 66.02 64.64 2w18 s SER 867 CO 0.81 -0.10 1.63 0.00 0.98 0.00 0.00 173.24 176.56 2w18 s SER 869 N 0.72 7.38 0.00 0.00 0.15 -0.71 -0.86 113.70 120.39 2w18 s SER 869 Ca 0.67 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.23 2w18 s SER 869 Cb -0.48 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.24 2w18 s SER 869 CO 0.42 -0.15 0.00 1.33 1.20 0.00 0.00 173.24 176.04 2w18 n VAL 870 N 2.74 0.00 -3.58 4.45 0.24 0.13 -4.62 118.33 117.70 2w18 n VAL 870 Ca 0.03 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.24 2w18 n VAL 870 Cb 0.48 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 2w18 n VAL 870 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2w18 s ASP 871 N -1.43 -0.40 -0.02 -1.34 -1.08 -0.96 -4.89 116.67 106.56 2w18 s ASP 871 Ca 0.00 -0.18 -0.12 0.00 -0.52 0.00 0.00 52.55 51.73 2w18 s ASP 871 Cb 0.00 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 42.03 2w18 s ASP 871 CO 0.00 -0.94 0.25 0.54 0.52 0.00 0.00 175.17 175.54 2w18 s VAL 872 N -3.55 0.06 -0.11 1.11 0.11 -1.26 -1.32 120.40 115.44 2w18 s VAL 872 Ca 0.06 -0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 58.52 2w18 s VAL 872 Cb -0.02 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2w18 s VAL 872 CO -0.06 -0.27 0.29 -0.55 -3.33 0.00 0.00 175.10 171.18 2w18 s SER 873 N -1.19 -0.30 -0.22 3.54 0.15 -0.45 -4.84 113.70 110.40 2w18 s SER 873 Ca -0.12 0.58 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 2w18 s SER 873 Cb -0.06 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2w18 s SER 873 CO 0.03 -0.10 0.09 0.00 1.20 0.00 0.00 173.24 174.46 2w18 s ALA 874 N 0.24 3.41 0.07 5.45 0.00 -1.26 0.30 121.76 129.96 2w18 s ALA 874 Ca -0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2w18 s ALA 874 Cb -0.03 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2w18 s ALA 874 CO -0.00 -0.10 0.09 0.00 0.00 0.00 0.00 175.76 175.74 2w18 s MET 875 N 0.89 0.74 0.29 0.00 0.23 -0.64 -2.72 119.30 118.09 2w18 s MET 875 Ca 0.05 -1.08 -0.28 0.00 -1.03 0.00 0.00 55.69 53.35 2w18 s MET 875 Cb -0.13 0.28 -0.09 0.00 -1.53 0.00 0.00 34.83 33.35 2w18 s MET 875 CO 0.03 -0.19 0.97 -0.06 -2.03 0.00 0.00 175.02 173.74 2w18 s PHE 876 N -3.89 3.75 -0.04 3.16 0.08 -1.26 0.42 117.98 120.20 2w18 s PHE 876 Ca 0.06 1.81 0.04 0.00 0.12 0.00 0.00 56.93 58.96 2w18 s PHE 876 Cb 0.06 -3.02 -0.00 0.00 -0.57 0.00 0.00 43.02 39.50 2w18 s PHE 876 CO -0.11 0.12 -0.14 -0.46 -0.10 0.00 0.00 175.22 174.53 2w18 s TRP 877 N -1.39 1.45 -0.14 0.36 -0.11 -0.18 -4.53 118.94 114.40 2w18 s TRP 877 Ca 0.47 -0.41 -0.29 0.00 1.22 0.00 0.00 56.10 57.08 2w18 s TRP 877 Cb -0.24 -0.99 -0.02 0.00 -1.50 0.00 0.00 33.47 30.72 2w18 s TRP 877 CO 0.30 -0.15 1.22 -2.00 -4.62 0.00 0.00 176.95 171.70 2w18 s GLU 878 N 0.12 4.27 -0.17 5.86 2.56 -0.82 -0.51 118.70 130.02 2w18 s GLU 878 Ca -0.04 1.63 -0.00 0.00 0.00 0.00 0.00 54.97 56.56 2w18 s GLU 878 Cb -0.11 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.34 2w18 s GLU 878 CO 0.02 -0.62 -0.15 0.15 -0.56 0.00 0.00 175.26 174.10 2w18 s LYS 883 N 3.08 3.17 0.01 4.30 1.02 -1.26 -5.04 119.74 125.02 2w18 s LYS 883 Ca 0.54 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2w18 s LYS 883 Cb -0.22 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 2w18 s LYS 883 CO 0.16 -0.10 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.22 2w18 s GLU 884 N 1.10 0.43 0.05 1.68 2.02 0.34 -5.09 118.70 119.22 2w18 s GLU 884 Ca 0.00 -0.35 -0.31 0.00 0.02 0.00 0.00 54.97 54.33 2w18 s GLU 884 Cb -0.14 -0.34 -0.08 0.00 0.10 0.00 0.00 34.13 33.67 2w18 s GLU 884 CO -0.05 0.08 1.59 -2.14 0.02 0.00 0.00 175.26 174.76 2w18 s PRO 885 N -0.57 4.22 0.31 0.39 0.02 -1.26 -1.01 135.00 137.10 2w18 s PRO 885 Ca -0.02 2.24 0.04 0.00 0.02 0.00 0.00 61.00 63.28 2w18 s PRO 885 Cb -0.04 -3.59 -0.06 0.00 0.02 0.00 0.00 34.50 30.83 2w18 s PRO 885 CO -0.00 -0.69 0.05 0.00 -0.33 0.00 0.00 177.00 176.03 2w18 s ILE 887 N -3.31 2.27 -0.17 0.00 1.01 -0.25 -1.63 121.20 119.12 2w18 s ILE 887 Ca 0.36 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2w18 s ILE 887 Cb 0.08 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2w18 s ILE 887 CO 0.15 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 175.06 2w18 s ILE 888 N -0.40 4.46 0.01 2.92 -1.09 0.15 -0.30 121.20 126.95 2w18 s ILE 888 Ca 0.04 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2w18 s ILE 888 Cb -0.12 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 2w18 s ILE 888 CO 0.01 0.47 -0.02 0.42 -1.23 0.00 0.00 174.94 174.60 2w18 s THR 889 N 0.40 4.02 -0.14 2.92 -4.23 -0.39 -1.34 115.64 116.87 2w18 s THR 889 Ca 0.01 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 2w18 s THR 889 Cb -0.13 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.93 2w18 s THR 889 CO 0.01 0.35 -0.14 0.00 -0.54 0.00 0.00 174.62 174.30 2w18 s ALA 890 N -1.09 1.79 0.37 3.99 0.00 -0.44 -1.54 121.76 124.83 2w18 s ALA 890 Ca 0.20 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.40 2w18 s ALA 890 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2w18 s ALA 890 CO 0.11 -0.32 0.10 0.00 0.00 0.00 0.00 175.76 175.65 2w18 h GLU 892 N 1.63 0.42 -0.00 0.00 5.08 -1.19 -2.90 114.58 117.61 2w18 h GLU 892 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2w18 h GLU 892 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2w18 h GLU 892 CO 0.68 0.27 0.00 -0.40 -1.00 0.00 0.00 179.01 178.56 2w18 n ASP 893 N -4.86 1.14 -3.74 1.42 5.68 -1.26 0.00 116.55 114.93 2w18 n ASP 893 Ca 0.29 -1.11 -0.13 0.00 -0.50 0.00 0.00 54.79 53.33 2w18 n ASP 893 Cb 0.90 -0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.78 2w18 n ASP 893 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2w18 s VAL 894 N -0.14 0.02 -0.02 2.12 0.11 -1.10 -1.79 120.40 119.60 2w18 s VAL 894 Ca 0.01 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.97 2w18 s VAL 894 Cb 0.01 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2w18 s VAL 894 CO 0.01 -0.08 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.80 2w18 s VAL 895 N -0.33 1.67 0.02 2.04 1.01 -0.48 -0.55 120.40 123.78 2w18 s VAL 895 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2w18 s VAL 895 Cb -0.03 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2w18 s VAL 895 CO 0.02 0.47 -0.05 -0.44 0.00 0.00 0.00 175.10 175.11 2w18 s SER 896 N -0.38 0.52 -0.18 3.32 0.01 -0.59 -0.12 113.70 116.28 2w18 s SER 896 Ca 0.05 -0.30 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 2w18 s SER 896 Cb -0.09 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 2w18 s SER 896 CO 0.00 -0.10 0.16 -0.22 0.41 0.00 0.00 173.24 173.49 2w18 s LEU 897 N -0.82 4.25 0.03 2.44 0.20 0.24 -1.27 118.68 123.76 2w18 s LEU 897 Ca -0.06 0.32 0.06 0.00 0.69 0.00 0.00 54.13 55.15 2w18 s LEU 897 Cb -0.06 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 2w18 s LEU 897 CO -0.00 0.22 -0.18 0.26 -0.29 0.00 0.00 176.35 176.36 2w18 s TRP 898 N 0.08 1.56 0.19 5.38 0.52 0.59 0.72 118.94 127.98 2w18 s TRP 898 Ca 0.11 -0.35 0.09 0.00 0.02 0.00 0.00 56.10 55.97 2w18 s TRP 898 Cb -0.12 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 2w18 s TRP 898 CO 0.00 0.05 -0.19 0.21 0.02 0.00 0.00 176.95 177.04 2w18 s LYS 899 N -0.99 1.38 0.10 4.98 2.47 -0.58 -1.09 119.74 126.01 2w18 s LYS 899 Ca 0.05 -1.51 -0.31 0.00 -1.56 0.00 0.00 55.97 52.64 2w18 s LYS 899 Cb -0.08 -1.43 -0.08 0.00 -1.46 0.00 0.00 37.83 34.79 2w18 s LYS 899 CO 0.01 0.28 1.46 0.00 0.16 0.00 0.00 175.35 177.26 2w18 s ALA 900 N -2.24 3.64 -0.10 3.13 0.00 -1.26 -1.11 121.76 123.82 2w18 s ALA 900 Ca 0.20 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 2w18 s ALA 900 Cb -0.05 -3.59 -0.27 0.00 0.00 0.00 0.00 23.12 19.21 2w18 s ALA 900 CO 0.08 -0.77 0.47 1.25 0.00 0.00 0.00 175.76 176.79 2w18 h LEU 901 N 7.35 0.46 0.00 0.00 6.46 -0.92 -3.45 115.31 125.21 2w18 h LEU 901 Ca -0.41 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.42 2w18 h LEU 901 Cb 1.20 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2w18 h LEU 901 CO 0.89 1.81 0.00 -0.90 -0.62 0.00 0.00 178.44 179.62 2w18 n ASP 902 N -3.59 0.00 0.31 1.25 5.68 -1.16 -4.96 116.55 114.07 2w18 n ASP 902 Ca -0.29 -0.15 0.17 0.00 -0.50 0.00 0.00 54.79 54.02 2w18 n ASP 902 Cb 1.03 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 42.00 2w18 n ASP 902 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2w18 h ALA 903 N 1.81 1.41 0.00 2.12 0.00 -1.95 -3.29 119.26 119.36 2w18 h ALA 903 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2w18 h ALA 903 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2w18 h ALA 903 CO 0.00 -0.01 -0.20 -2.67 0.00 0.00 0.00 179.25 176.37 2w18 n TRP 904 N -3.66 0.00 -4.00 0.00 4.27 -1.26 -4.64 117.44 108.16 2w18 n TRP 904 Ca -0.03 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.32 2w18 n TRP 904 Cb 0.09 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.00 2w18 n TRP 904 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2w18 s GLN 905 N -0.76 3.22 -0.04 -2.67 -0.21 -1.24 -1.62 119.66 116.35 2w18 s GLN 905 Ca 0.00 -0.69 0.06 0.00 0.02 0.00 0.00 55.36 54.76 2w18 s GLN 905 Cb 0.00 -2.85 -0.01 0.00 1.00 0.00 0.00 33.01 31.15 2w18 s GLN 905 CO 0.00 0.52 -0.24 -1.58 -2.12 0.00 0.00 175.29 171.87 2w18 s TRP 906 N -1.71 2.28 -0.04 0.91 0.52 -1.26 -0.22 118.94 119.42 2w18 s TRP 906 Ca 0.33 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.89 2w18 s TRP 906 Cb -0.11 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 2w18 s TRP 906 CO 0.26 -0.16 -0.14 -1.83 0.02 0.00 0.00 176.95 175.11 2w18 s GLU 907 N -0.27 2.46 0.17 4.98 -1.05 -0.27 -4.82 118.70 119.90 2w18 s GLU 907 Ca 0.00 -0.73 -0.31 0.00 -0.15 0.00 0.00 54.97 53.79 2w18 s GLU 907 Cb -0.12 -2.37 -0.09 0.00 -0.44 0.00 0.00 34.13 31.11 2w18 s GLU 907 CO 0.02 0.61 1.47 0.21 0.95 0.00 0.00 175.26 178.53 2w18 s LYS 908 N -0.86 4.27 -0.13 -4.83 2.20 -1.26 -1.52 119.74 117.60 2w18 s LYS 908 Ca 0.12 2.24 0.09 0.00 -0.36 0.00 0.00 55.97 58.06 2w18 s LYS 908 Cb -0.11 -3.18 -0.14 0.00 -1.51 0.00 0.00 37.83 32.89 2w18 s LYS 908 CO 0.02 -0.50 0.00 1.28 -0.36 0.00 0.00 175.35 175.79 2w18 n LEU 909 N 3.56 0.67 -3.63 5.43 4.32 0.22 -4.93 117.00 122.64 2w18 n LEU 909 Ca 0.11 -0.02 -0.15 0.00 -0.02 0.00 0.00 56.01 55.93 2w18 n LEU 909 Cb 0.40 0.11 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 2w18 n LEU 909 CO 0.60 0.41 0.23 -0.31 -1.22 0.00 0.00 177.39 177.11 2w18 s TYR 910 N -2.31 -0.41 -0.00 -1.77 2.02 -1.11 -4.97 117.35 108.79 2w18 s TYR 910 Ca -0.10 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 2w18 s TYR 910 Cb 0.04 0.27 -0.00 0.00 -0.40 0.00 0.00 41.96 41.86 2w18 s TYR 910 CO 0.48 -0.53 -0.04 0.99 -1.57 0.00 0.00 175.55 174.88 2w18 s THR 911 N -1.55 0.34 -0.01 -0.71 2.01 -1.26 -0.59 115.64 113.87 2w18 s THR 911 Ca -0.11 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 61.78 2w18 s THR 911 Cb -0.02 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 2w18 s THR 911 CO 0.05 0.09 -0.24 0.26 -0.69 0.00 0.00 174.62 174.08 2w18 s TRP 912 N -0.12 2.38 0.15 4.92 0.51 0.83 -4.61 118.94 123.00 2w18 s TRP 912 Ca 0.01 -0.40 0.09 0.00 -2.12 0.00 0.00 56.10 53.68 2w18 s TRP 912 Cb -0.02 -1.49 -0.04 0.00 -0.81 0.00 0.00 33.47 31.11 2w18 s TRP 912 CO -0.00 0.02 -0.12 -1.01 -0.51 0.00 0.00 176.95 175.33 2w18 s HIS 913 N -0.67 2.63 -0.24 -1.98 3.76 -1.26 -1.38 115.29 116.15 2w18 s HIS 913 Ca 0.11 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 2w18 s HIS 913 Cb -0.10 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.34 2w18 s HIS 913 CO -0.00 0.46 0.11 -0.06 -0.85 0.00 0.00 174.74 174.40 2w18 s PHE 914 N -1.46 0.47 0.01 1.40 0.08 -0.74 -4.86 117.98 112.89 2w18 s PHE 914 Ca 0.22 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.47 2w18 s PHE 914 Cb -0.10 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 2w18 s PHE 914 CO 0.14 -0.71 0.22 0.00 -0.10 0.00 0.00 175.22 174.76 2w18 s ALA 915 N 2.04 3.94 0.00 5.36 0.00 -1.26 -4.64 121.76 127.20 2w18 s ALA 915 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2w18 s ALA 915 Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2w18 s ALA 915 CO -0.24 0.74 0.00 -0.85 0.00 0.00 0.00 175.76 175.41 2w18 n GLU 916 N 0.82 0.00 -3.01 0.00 0.28 -1.26 -4.91 120.64 112.57 2w18 n GLU 916 Ca -0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.50 2w18 n GLU 916 Cb 0.52 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.35 2w18 n GLU 916 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2w18 s VAL 917 N 0.00 4.99 0.48 3.84 0.11 -1.26 -5.03 120.40 123.52 2w18 s VAL 917 Ca 0.00 1.46 -0.20 0.00 -2.93 0.00 0.00 61.98 60.32 2w18 s VAL 917 Cb 0.00 -4.06 -0.09 0.00 -1.53 0.00 0.00 36.38 30.70 2w18 s VAL 917 CO 0.00 0.16 1.00 -2.16 -3.33 0.00 0.00 175.10 170.77 2w18 s PRO 918 N 1.39 3.94 0.12 1.54 0.05 -1.26 -4.78 135.00 136.01 2w18 s PRO 918 Ca 0.36 1.21 -0.31 0.00 0.05 0.00 0.00 61.00 62.32 2w18 s PRO 918 Cb -0.17 -2.13 -0.08 0.00 0.05 0.00 0.00 34.50 32.17 2w18 s PRO 918 CO 0.15 -0.29 1.37 0.08 0.05 0.00 0.00 177.00 178.36 2w18 s VAL 919 N -2.17 3.34 -0.25 -0.36 1.01 0.10 -0.79 120.40 121.28 2w18 s VAL 919 Ca 0.64 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 2w18 s VAL 919 Cb -0.13 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.46 2w18 s VAL 919 CO 0.20 0.09 -0.20 -0.11 0.00 0.00 0.00 175.10 175.08 2w18 n LEU 920 N 3.76 2.59 -3.56 3.92 7.94 0.08 -4.33 117.00 127.40 2w18 n LEU 920 Ca 0.11 0.06 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 2w18 n LEU 920 Cb 0.43 -0.90 -0.02 0.00 0.53 0.00 0.00 43.42 43.45 2w18 n LEU 920 CO 0.58 0.79 0.62 0.00 -1.11 0.00 0.00 177.39 178.27 2w18 s GLN 921 N -2.51 1.06 0.28 1.96 -2.07 -1.15 -4.82 119.66 112.41 2w18 s GLN 921 Ca -0.35 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 52.58 2w18 s GLN 921 Cb 0.10 0.45 -0.09 0.00 -1.09 0.00 0.00 33.01 32.38 2w18 s GLN 921 CO 0.58 -0.47 0.72 0.42 -1.32 0.00 0.00 175.29 175.22 2w18 s ILE 922 N -3.35 4.66 -0.52 3.63 1.01 -1.26 -1.74 121.20 123.63 2w18 s ILE 922 Ca 0.06 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.78 2w18 s ILE 922 Cb -0.01 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.90 2w18 s ILE 922 CO -0.07 -0.05 0.27 -0.69 0.00 0.00 0.00 174.94 174.40 2w18 s VAL 923 N -1.82 2.67 0.48 2.92 1.01 0.18 -4.87 120.40 120.97 2w18 s VAL 923 Ca 0.50 -3.28 -0.24 0.00 0.00 0.00 0.00 61.98 58.96 2w18 s VAL 923 Cb -0.12 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 2w18 s VAL 923 CO 0.19 -0.80 1.42 -2.84 0.00 0.00 0.00 175.10 173.07 2w18 s PRO 924 N -0.25 3.51 -0.16 2.72 0.02 -1.26 -4.13 135.00 135.44 2w18 s PRO 924 Ca 0.17 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 2w18 s PRO 924 Cb -0.25 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 31.77 2w18 s PRO 924 CO -0.00 -0.95 -0.01 0.08 -0.33 0.00 0.00 177.00 175.78 2w18 s VAL 925 N -1.22 0.79 0.30 3.83 1.01 -1.26 -3.46 120.40 120.39 2w18 s VAL 925 Ca 0.64 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2w18 s VAL 925 Cb -0.43 -1.08 -0.13 0.00 0.00 0.00 0.00 36.38 34.74 2w18 s VAL 925 CO 0.55 0.03 1.21 -2.65 0.00 0.00 0.00 175.10 174.24 2w18 n PRO 926 N 4.98 1.80 -0.96 2.72 -0.02 -1.25 -2.50 135.00 139.77 2w18 n PRO 926 Ca -0.10 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2w18 n PRO 926 Cb 0.48 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2w18 n PRO 926 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2w18 n ASP 927 N 1.19 -2.90 -4.37 2.55 8.00 -1.26 -2.53 116.55 117.24 2w18 n ASP 927 Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 2w18 n ASP 927 Cb 0.33 -1.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.05 2w18 n ASP 927 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2w18 s VAL 928 N -2.06 3.83 -0.03 2.53 1.01 -1.04 -4.75 120.40 119.90 2w18 s VAL 928 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2w18 s VAL 928 Cb 0.00 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.65 2w18 s VAL 928 CO 0.00 0.34 1.02 -1.22 0.00 0.00 0.00 175.10 175.24 2w18 n TYR 929 N 4.86 0.00 -0.64 5.22 4.02 -1.26 -4.71 117.16 124.64 2w18 n TYR 929 Ca -0.17 -0.60 0.02 0.00 -0.01 0.00 0.00 57.90 57.15 2w18 n TYR 929 Cb 0.51 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 2w18 n TYR 929 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2w18 n ASN 930 N -0.70 1.43 -3.48 7.72 0.23 -1.26 -1.94 115.26 117.27 2w18 n ASN 930 Ca 0.04 -2.01 -0.12 0.00 -0.53 0.00 0.00 54.58 51.96 2w18 n ASN 930 Cb 0.35 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 37.91 2w18 n ASN 930 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 2w18 s LEU 931 N -1.07 -0.40 -0.13 -4.53 0.05 -1.26 -4.61 118.68 106.73 2w18 s LEU 931 Ca 0.07 -0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.18 2w18 s LEU 931 Cb 0.06 2.48 -0.00 0.00 -2.05 0.00 0.00 46.19 46.67 2w18 s LEU 931 CO 0.01 -0.97 -0.18 -0.69 -0.55 0.00 0.00 176.35 173.96 2w18 s VAL 932 N -3.77 2.50 -0.17 1.48 1.01 -0.52 -4.91 120.40 116.02 2w18 s VAL 932 Ca 0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2w18 s VAL 932 Cb -0.01 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2w18 s VAL 932 CO -0.12 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.75 2w18 s VAL 934 N 0.42 1.83 -0.11 0.00 -7.23 -0.15 0.47 120.40 115.63 2w18 s VAL 934 Ca 0.13 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2w18 s VAL 934 Cb -0.12 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2w18 s VAL 934 CO 0.02 -0.36 -0.05 0.00 -0.31 0.00 0.00 175.10 174.40 2w18 s ALA 935 N -2.21 3.02 0.07 1.32 0.00 -0.71 -0.42 121.76 122.83 2w18 s ALA 935 Ca 0.17 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2w18 s ALA 935 Cb -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2w18 s ALA 935 CO 0.07 0.41 -0.20 -0.51 0.00 0.00 0.00 175.76 175.53 2w18 s LEU 936 N -0.27 2.55 0.00 0.00 1.43 0.34 -0.74 118.68 121.99 2w18 s LEU 936 Ca 0.04 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2w18 s LEU 936 Cb -0.13 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2w18 s LEU 936 CO 0.02 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2w18 n GLY 937 N 1.33 1.81 0.10 -3.19 0.00 0.03 0.28 105.19 105.54 2w18 n GLY 937 Ca -0.16 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 44.96 2w18 n GLY 937 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w18 n ASN 938 N 0.00 0.78 0.06 1.61 4.13 -1.26 -4.43 115.26 116.15 2w18 n ASN 938 Ca 0.00 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.56 2w18 n ASN 938 Cb 0.00 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 2w18 n ASN 938 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2w18 n LEU 939 N -2.66 -1.12 -4.94 3.41 0.00 -1.26 -5.10 117.00 105.32 2w18 n LEU 939 Ca -0.01 0.26 -0.26 0.00 0.00 0.00 0.00 56.01 56.00 2w18 n LEU 939 Cb 0.58 1.36 -0.03 0.00 0.00 0.00 0.00 43.42 45.33 2w18 n LEU 939 CO 0.41 -0.21 -0.06 -1.61 0.00 0.00 0.00 177.39 175.91 2w18 s GLU 940 N -2.00 3.46 0.09 1.96 2.02 -1.26 -5.07 118.70 117.90 2w18 s GLU 940 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 2w18 s GLU 940 Cb 0.00 -2.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 2w18 s GLU 940 CO 0.00 0.49 1.21 0.42 0.02 0.00 0.00 175.26 177.40 2w18 s ILE 941 N -1.78 3.90 -0.12 -1.63 1.01 -1.23 -4.32 121.20 117.03 2w18 s ILE 941 Ca 0.35 1.40 0.10 0.00 0.00 0.00 0.00 60.65 62.51 2w18 s ILE 941 Cb -0.11 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 2w18 s ILE 941 CO 0.29 0.13 0.04 0.54 0.00 0.00 0.00 174.94 175.94 2w18 n ARG 942 N 3.65 2.08 -4.05 2.79 1.74 0.14 -2.33 116.66 120.69 2w18 n ARG 942 Ca 0.08 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 2w18 n ARG 942 Cb 0.46 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.49 2w18 n ARG 942 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2w18 s GLU 943 N -2.28 0.51 -0.10 5.56 2.02 -0.87 -1.51 118.70 122.04 2w18 s GLU 943 Ca -0.06 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2w18 s GLU 943 Cb 0.03 0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.33 2w18 s GLU 943 CO 0.48 -0.05 -0.09 0.42 0.02 0.00 0.00 175.26 176.04 2w18 s ILE 944 N -2.57 1.04 0.12 -1.63 1.01 -0.15 -0.50 121.20 118.52 2w18 s ILE 944 Ca -0.04 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.38 2w18 s ILE 944 Cb -0.02 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2w18 s ILE 944 CO -0.04 0.36 -0.25 -0.13 0.00 0.00 0.00 174.94 174.87 2w18 s ARG 945 N 1.35 1.50 -0.17 2.79 0.52 0.44 -0.56 118.95 124.82 2w18 s ARG 945 Ca -0.02 -1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 53.82 2w18 s ARG 945 Cb -0.14 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2w18 s ARG 945 CO -0.04 0.46 0.05 0.00 0.02 0.00 0.00 175.30 175.78 2w18 s ALA 946 N -1.06 3.35 -0.23 2.13 0.00 -0.23 -0.98 121.76 124.74 2w18 s ALA 946 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 2w18 s ALA 946 Cb -0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2w18 s ALA 946 CO 0.07 0.20 0.06 -0.51 0.00 0.00 0.00 175.76 175.57 2w18 s LEU 947 N 0.32 3.48 0.15 0.00 1.43 0.15 -0.51 118.68 123.70 2w18 s LEU 947 Ca 0.02 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2w18 s LEU 947 Cb -0.13 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2w18 s LEU 947 CO 0.01 0.02 -0.13 -0.36 0.23 0.00 0.00 176.35 176.11 2w18 s PHE 948 N 1.28 2.59 -0.10 0.29 0.08 0.00 -1.44 117.98 120.68 2w18 s PHE 948 Ca 0.05 -0.24 -0.29 0.00 0.12 0.00 0.00 56.93 56.57 2w18 s PHE 948 Cb -0.15 -1.31 -0.34 0.00 -0.57 0.00 0.00 43.02 40.65 2w18 s PHE 948 CO 0.03 0.46 1.62 0.00 -0.10 0.00 0.00 175.22 177.23 2w18 n GLU 956 N 7.78 0.00 -3.07 0.00 0.28 -1.26 -4.93 120.64 119.44 2w18 n GLU 956 Ca 0.46 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 57.01 2w18 n GLU 956 Cb 0.41 -0.97 -0.01 0.00 1.43 0.00 0.00 31.44 32.29 2w18 n GLU 956 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2w18 s LYS 957 N 0.00 3.83 -0.03 3.44 2.20 -1.26 -4.98 119.74 122.94 2w18 s LYS 957 Ca 0.00 -2.34 0.08 0.00 -0.36 0.00 0.00 55.97 53.35 2w18 s LYS 957 Cb 0.00 -4.82 -0.02 0.00 -1.51 0.00 0.00 37.83 31.48 2w18 s LYS 957 CO 0.00 -1.61 -0.26 -0.65 -0.36 0.00 0.00 175.35 172.48 2w18 s GLN 958 N 1.33 2.19 -0.15 4.03 -0.21 -1.26 -0.82 119.66 124.78 2w18 s GLN 958 Ca 0.32 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.78 2w18 s GLN 958 Cb -0.06 -2.07 -0.01 0.00 1.00 0.00 0.00 33.01 31.87 2w18 s GLN 958 CO -0.06 0.53 -0.13 0.08 -2.12 0.00 0.00 175.29 173.59 2w18 s VAL 959 N -0.54 2.98 -0.24 1.09 1.01 0.33 -4.96 120.40 120.07 2w18 s VAL 959 Ca 0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2w18 s VAL 959 Cb -0.11 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2w18 s VAL 959 CO -0.00 0.51 1.34 -0.22 0.00 0.00 0.00 175.10 176.73 2w18 s LEU 960 N 0.60 3.98 -0.19 3.92 2.96 -1.26 -1.07 118.68 127.62 2w18 s LEU 960 Ca -0.07 1.43 -0.05 0.00 -0.22 0.00 0.00 54.13 55.21 2w18 s LEU 960 Cb -0.16 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 2w18 s LEU 960 CO 0.03 -1.00 0.07 0.18 -1.32 0.00 0.00 176.35 174.31 2w18 n LEU 961 N 7.41 2.64 -3.85 -0.68 4.77 0.27 -4.98 117.00 122.59 2w18 n LEU 961 Ca 0.15 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2w18 n LEU 961 Cb 0.46 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2w18 n LEU 961 CO 0.61 0.81 -0.13 -0.75 -1.33 0.00 0.00 177.39 176.60 2w18 s LYS 962 N -2.52 0.50 -0.15 3.23 2.47 -1.08 -4.98 119.74 117.22 2w18 s LYS 962 Ca -0.29 -0.32 -0.12 0.00 -1.56 0.00 0.00 55.97 53.67 2w18 s LYS 962 Cb 0.08 0.21 0.04 0.00 -1.46 0.00 0.00 37.83 36.71 2w18 s LYS 962 CO 0.67 -0.12 0.38 0.45 0.16 0.00 0.00 175.35 176.89 2w18 s SER 963 N -1.29 -0.41 0.00 1.43 0.15 -1.26 -0.98 113.70 111.34 2w18 s SER 963 Ca -0.14 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2w18 s SER 963 Cb -0.07 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2w18 s SER 963 CO 0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2w18 n GLY 964 N 3.11 0.57 3.28 9.45 0.00 -0.57 -4.95 105.19 116.09 2w18 n GLY 964 Ca -0.15 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 2w18 n GLY 964 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2w18 n ASN 965 N 0.00 5.62 -4.67 1.61 5.15 -1.26 -4.20 115.26 117.50 2w18 n ASN 965 Ca 0.00 -3.10 -0.40 0.00 -0.60 0.00 0.00 54.58 50.48 2w18 n ASN 965 Cb 0.00 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 37.80 2w18 n ASN 965 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2w18 s ILE 966 N -0.98 5.03 -0.13 -1.44 1.01 -0.98 -3.38 121.20 120.33 2w18 s ILE 966 Ca 0.34 1.24 0.20 0.00 0.00 0.00 0.00 60.65 62.42 2w18 s ILE 966 Cb -0.05 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.27 2w18 s ILE 966 CO -0.03 0.14 0.63 0.29 0.00 0.00 0.00 174.94 175.98 2w18 n LYS 967 N 4.75 0.64 -3.60 2.79 4.76 0.90 -3.48 118.16 124.93 2w18 n LYS 967 Ca -0.01 0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 2w18 n LYS 967 Cb 0.50 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 2w18 n LYS 967 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2w18 s ALA 968 N -3.10 -1.98 -0.02 7.82 0.00 -1.23 -4.83 121.76 118.42 2w18 s ALA 968 Ca -0.05 1.67 -0.22 0.00 0.00 0.00 0.00 51.96 53.36 2w18 s ALA 968 Cb 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.32 2w18 s ALA 968 CO 0.84 -0.28 0.48 0.54 0.00 0.00 0.00 175.76 177.33 2w18 s VAL 969 N -0.93 0.03 -0.25 0.00 0.11 -1.26 -1.63 120.40 116.46 2w18 s VAL 969 Ca 0.01 -0.27 -0.26 0.00 -2.93 0.00 0.00 61.98 58.53 2w18 s VAL 969 Cb -0.01 -0.81 0.10 0.00 -1.53 0.00 0.00 36.38 34.12 2w18 s VAL 969 CO -0.01 -0.15 0.87 -0.22 -3.33 0.00 0.00 175.10 172.26 2w18 s LEU 970 N -1.35 -0.59 0.22 2.54 2.96 -0.17 -4.78 118.68 117.50 2w18 s LEU 970 Ca -0.12 1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 54.64 2w18 s LEU 970 Cb -0.03 2.19 -0.09 0.00 0.50 0.00 0.00 46.19 48.77 2w18 s LEU 970 CO 0.06 -0.24 0.82 -0.83 -1.32 0.00 0.00 176.35 174.84 2w18 s GLY 971 N 0.12 2.87 0.22 7.98 0.00 -1.22 -1.11 107.32 116.17 2w18 s GLY 971 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 44.72 45.21 2w18 s GLY 971 CO -0.01 0.87 -0.17 1.08 0.00 0.00 0.00 173.10 174.86 2w18 s LEU 972 N -1.50 2.54 0.57 0.66 1.43 0.72 -4.74 118.68 118.36 2w18 s LEU 972 Ca 0.41 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 2w18 s LEU 972 Cb -0.21 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.06 2w18 s LEU 972 CO 0.26 -0.06 0.47 0.35 0.23 0.00 0.00 176.35 177.59 2w18 n THR 973 N -0.29 2.05 -2.86 5.49 -2.24 -1.26 -2.27 114.28 112.90 2w18 n THR 973 Ca -0.08 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 2w18 n THR 973 Cb 0.59 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2w18 n THR 973 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2w18 n LYS 974 N 0.04 -3.40 -3.54 -0.78 4.01 -1.26 -3.75 118.16 109.48 2w18 n LYS 974 Ca 0.11 0.47 -0.20 0.00 -0.51 0.00 0.00 58.31 58.18 2w18 n LYS 974 Cb 0.48 -4.41 0.08 0.00 -0.51 0.00 0.00 35.03 30.67 2w18 n LYS 974 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2w18 n ARG 975 N -2.70 -6.64 -4.41 1.97 1.74 -1.05 -4.85 116.66 100.73 2w18 n ARG 975 Ca -0.03 0.80 -0.24 0.00 -0.77 0.00 0.00 57.85 57.61 2w18 n ARG 975 Cb 0.55 -5.75 -0.09 0.00 -1.02 0.00 0.00 32.46 26.15 2w18 n ARG 975 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2w18 s ARG 976 N -5.74 1.90 -0.09 5.56 0.52 -0.96 -1.61 118.95 118.53 2w18 s ARG 976 Ca 0.17 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 2w18 s ARG 976 Cb -0.08 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.53 2w18 s ARG 976 CO 0.75 0.34 0.18 -1.17 0.02 0.00 0.00 175.30 175.42 2w18 s LEU 977 N -3.56 -0.01 -0.09 2.53 1.98 -0.45 -0.20 118.68 118.88 2w18 s LEU 977 Ca 0.30 0.38 -0.02 0.00 -2.89 0.00 0.00 54.13 51.91 2w18 s LEU 977 Cb -0.06 0.38 -0.03 0.00 0.66 0.00 0.00 46.19 47.14 2w18 s LEU 977 CO 0.17 -0.23 0.01 0.54 -1.89 0.00 0.00 176.35 174.95 2w18 s VAL 978 N 2.15 4.38 0.06 1.68 0.11 -0.27 -0.69 120.40 127.82 2w18 s VAL 978 Ca 0.01 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2w18 s VAL 978 Cb -0.12 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2w18 s VAL 978 CO -0.06 0.60 0.00 -0.94 -3.33 0.00 0.00 175.10 171.37 2w18 s SER 979 N -0.87 0.43 0.01 3.54 1.04 -0.23 -1.00 113.70 116.63 2w18 s SER 979 Ca 0.13 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.62 2w18 s SER 979 Cb -0.11 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 2w18 s SER 979 CO 0.02 -0.63 -0.13 -0.55 0.98 0.00 0.00 173.24 172.94 2w18 s SER 980 N -2.93 1.49 0.27 7.02 0.15 -0.65 -0.60 113.70 118.46 2w18 s SER 980 Ca 0.08 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2w18 s SER 980 Cb 0.08 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2w18 s SER 980 CO -0.09 0.08 0.07 -0.94 1.20 0.00 0.00 173.24 173.56 2w18 s SER 981 N -0.72 1.62 0.21 5.45 1.04 -0.23 -0.07 113.70 121.01 2w18 s SER 981 Ca 0.03 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2w18 s SER 981 Cb -0.06 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2w18 s SER 981 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2w18 n GLY 982 N -0.51 -1.99 0.00 7.32 0.00 -1.22 -1.09 105.19 107.70 2w18 n GLY 982 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2w18 n GLY 982 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w18 n THR 983 N -1.95 0.00 0.00 2.61 -2.24 -1.26 -4.70 114.28 106.74 2w18 n THR 983 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2w18 n THR 983 Cb 0.20 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2w18 n THR 983 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2w18 n LEU 984 N -1.59 0.00 0.26 3.22 4.77 -1.26 -2.93 117.00 119.46 2w18 n LEU 984 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2w18 n LEU 984 Cb 0.22 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.17 2w18 n LEU 984 CO 0.00 0.00 1.13 0.77 -1.33 0.00 0.00 177.39 177.96 2w18 h SER 985 N 0.00 0.00 0.02 -1.43 4.64 -1.98 -1.35 113.55 113.45 2w18 h SER 985 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2w18 h SER 985 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2w18 h SER 985 CO 0.00 0.00 -0.45 -0.90 -0.87 0.00 0.00 176.83 174.61 2w18 n ASP 986 N -3.87 1.90 -4.63 4.97 3.85 -1.26 -4.97 116.55 112.54 2w18 n ASP 986 Ca -0.01 -1.44 -0.47 0.00 -0.71 0.00 0.00 54.79 52.16 2w18 n ASP 986 Cb 0.18 0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 40.35 2w18 n ASP 986 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 2w18 n GLN 987 N -0.10 1.64 -5.00 0.11 7.27 -0.51 -4.66 117.38 116.13 2w18 n GLN 987 Ca 0.10 0.59 -0.30 0.00 0.07 0.00 0.00 57.00 57.45 2w18 n GLN 987 Cb 0.45 -2.18 -0.15 0.00 2.41 0.00 0.00 30.24 30.77 2w18 n GLN 987 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2w18 s GLN 988 N -0.26 1.89 -0.10 3.69 -0.21 -0.25 -4.81 119.66 119.62 2w18 s GLN 988 Ca 0.72 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 55.05 2w18 s GLN 988 Cb -0.75 -2.01 0.02 0.00 1.00 0.00 0.00 33.01 31.27 2w18 s GLN 988 CO 0.50 0.53 -0.12 0.08 -2.12 0.00 0.00 175.29 174.15 2w18 s VAL 989 N -0.76 1.25 -0.02 1.09 1.01 -1.26 -1.06 120.40 120.65 2w18 s VAL 989 Ca 0.11 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2w18 s VAL 989 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2w18 s VAL 989 CO 0.01 0.39 -0.04 -1.61 0.00 0.00 0.00 175.10 173.85 2w18 s GLU 990 N 1.07 0.49 -0.26 2.72 2.02 0.23 -0.71 118.70 124.26 2w18 s GLU 990 Ca -0.06 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 54.82 2w18 s GLU 990 Cb -0.15 -0.51 0.05 0.00 0.10 0.00 0.00 34.13 33.63 2w18 s GLU 990 CO -0.02 0.04 -0.10 0.08 0.02 0.00 0.00 175.26 175.28 2w18 s VAL 991 N 0.25 2.30 0.27 2.63 1.01 0.00 -1.07 120.40 125.78 2w18 s VAL 991 Ca -0.03 -1.53 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 2w18 s VAL 991 Cb -0.06 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2w18 s VAL 991 CO -0.00 0.01 0.50 0.00 0.00 0.00 0.00 175.10 175.61 2w18 s MET 992 N 1.14 3.59 -0.10 2.72 0.23 0.13 -1.06 119.30 125.95 2w18 s MET 992 Ca -0.07 -0.12 0.04 0.00 -1.03 0.00 0.00 55.69 54.51 2w18 s MET 992 Cb -0.19 -2.71 0.00 0.00 -1.53 0.00 0.00 34.83 30.40 2w18 s MET 992 CO -0.05 0.27 -0.24 0.99 -2.03 0.00 0.00 175.02 173.96 2w18 s THR 993 N -2.03 2.05 0.18 3.16 2.01 -0.74 -1.35 115.64 118.92 2w18 s THR 993 Ca 0.42 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.14 2w18 s THR 993 Cb -0.11 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.55 2w18 s THR 993 CO 0.30 0.56 0.83 -0.36 -0.69 0.00 0.00 174.62 175.26 2w18 s PHE 994 N 0.34 3.92 0.87 4.92 0.08 -0.63 -0.96 117.98 126.52 2w18 s PHE 994 Ca -0.19 1.71 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 2w18 s PHE 994 Cb -0.18 -2.84 0.11 0.00 -0.57 0.00 0.00 43.02 39.54 2w18 s PHE 994 CO 0.09 0.47 1.12 0.00 -0.10 0.00 0.00 175.22 176.80 2w18 s ALA 995 N -1.05 1.91 0.34 5.36 0.00 0.11 -4.87 121.76 123.57 2w18 s ALA 995 Ca 0.38 -0.37 0.12 0.00 0.00 0.00 0.00 51.96 52.09 2w18 s ALA 995 Cb -0.24 -3.07 0.95 0.00 0.00 0.00 0.00 23.12 20.76 2w18 s ALA 995 CO 0.28 -2.10 1.74 0.93 0.00 0.00 0.00 175.76 176.61 2w18 h GLU 996 N -1.36 0.51 -0.04 0.00 3.07 -1.98 0.86 114.58 115.63 2w18 h GLU 996 Ca -0.49 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 2w18 h GLU 996 Cb 1.31 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2w18 h GLU 996 CO 0.60 0.34 0.00 -0.40 -1.40 0.00 0.00 179.01 178.15 2w18 n ASP 997 N -4.80 0.38 0.00 1.42 5.75 -1.26 -4.85 116.55 113.19 2w18 n ASP 997 Ca 0.26 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 2w18 n ASP 997 Cb 0.79 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 2w18 n ASP 997 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2w18 n GLY 998 N 0.86 0.92 3.76 6.12 0.00 0.29 -5.04 105.19 112.09 2w18 n GLY 998 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2w18 n GLY 998 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w18 s GLY 999 N -1.89 2.86 -0.08 -0.02 0.00 -1.26 -4.62 107.32 102.32 2w18 s GLY 999 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 2w18 s GLY 999 CO 0.00 1.81 2.09 0.61 0.00 0.00 0.00 173.10 177.61 2w18 n GLY 1000N 1.43 1.48 0.36 0.20 0.00 -1.26 0.09 105.19 107.49 2w18 n GLY 1000Ca 0.01 0.81 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 2w18 n GLY 1000CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2w18 n LYS 1001N 8.07 0.27 -4.10 1.61 4.81 -0.13 -4.91 118.16 123.78 2w18 n LYS 1001Ca 0.25 0.09 -0.09 0.00 -0.87 0.00 0.00 58.31 57.69 2w18 n LYS 1001Cb 0.42 -1.07 -0.10 0.00 0.02 0.00 0.00 35.03 34.30 2w18 n LYS 1001CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2w18 s GLU 1002N -2.22 0.63 -0.04 1.64 0.41 -1.18 -4.99 118.70 112.94 2w18 s GLU 1002Ca -0.16 -1.13 -0.01 0.00 -0.41 0.00 0.00 54.97 53.26 2w18 s GLU 1002Cb 0.05 0.03 0.03 0.00 -1.78 0.00 0.00 34.13 32.47 2w18 s GLU 1002CO 0.23 -0.06 0.08 1.21 -0.49 0.00 0.00 175.26 176.23 2w18 s ASN 1003N -2.64 -0.01 -0.13 -0.19 2.47 -1.26 -1.79 114.94 111.38 2w18 s ASN 1003Ca 0.04 0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.49 2w18 s ASN 1003Cb 0.03 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.90 2w18 s ASN 1003CO -0.06 -0.13 -0.18 -1.58 -3.72 0.00 0.00 177.10 171.43 2w18 s GLN 1004N 1.08 2.56 0.22 0.43 0.74 -0.23 -4.95 119.66 119.51 2w18 s GLN 1004Ca -0.09 -0.68 -0.20 0.00 0.05 0.00 0.00 55.36 54.44 2w18 s GLN 1004Cb -0.12 -2.17 -0.08 0.00 1.10 0.00 0.00 33.01 31.74 2w18 s GLN 1004CO -0.04 -0.10 0.73 -0.06 -0.55 0.00 0.00 175.29 175.28 2w18 s PHE 1005N 1.06 3.68 0.01 1.67 0.40 -1.26 -0.82 117.98 122.72 2w18 s PHE 1005Ca -0.03 1.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.76 2w18 s PHE 1005Cb -0.14 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2w18 s PHE 1005CO -0.05 0.35 -0.08 -0.51 0.70 0.00 0.00 175.22 175.64 2w18 s LEU 1006N -1.89 3.12 -0.04 -0.37 1.02 0.11 -4.75 118.68 115.88 2w18 s LEU 1006Ca 0.42 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 54.10 2w18 s LEU 1006Cb -0.17 -1.80 -0.07 0.00 0.02 0.00 0.00 46.19 44.16 2w18 s LEU 1006CO 0.21 0.27 1.95 -0.32 0.02 0.00 0.00 176.35 178.49 2w18 s MET 1007N -1.48 3.94 0.25 1.70 -2.45 -0.40 -4.19 119.30 116.68 2w18 s MET 1007Ca 0.17 2.39 -0.26 0.00 -1.25 0.00 0.00 55.69 56.74 2w18 s MET 1007Cb -0.11 -4.17 -0.09 0.00 1.25 0.00 0.00 34.83 31.71 2w18 s MET 1007CO 0.08 -1.17 0.87 -1.25 1.05 0.00 0.00 175.02 174.60 2w18 s PRO 1008N 4.76 4.60 0.17 4.11 0.05 -1.26 -4.63 135.00 142.80 2w18 s PRO 1008Ca 0.88 1.26 0.24 0.00 0.05 0.00 0.00 61.00 63.42 2w18 s PRO 1008Cb -0.38 -3.03 0.91 0.00 0.05 0.00 0.00 34.50 32.05 2w18 s PRO 1008CO 0.38 0.42 1.74 -0.35 0.05 0.00 0.00 177.00 179.24 2w18 n PRO 1009N 1.04 0.16 -2.34 0.56 -0.05 -1.26 -4.89 135.00 128.22 2w18 n PRO 1009Ca -0.01 0.26 -0.17 0.00 -0.05 0.00 0.00 63.50 63.52 2w18 n PRO 1009Cb 0.49 -1.74 -0.01 0.00 -0.05 0.00 0.00 33.50 32.19 2w18 n PRO 1009CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2w18 n GLU 1010N -2.03 -1.44 -4.03 0.54 1.02 -1.26 -4.99 120.64 108.45 2w18 n GLU 1010Ca 0.04 0.84 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 2w18 n GLU 1010Cb 0.31 -5.30 -0.16 0.00 -0.02 0.00 0.00 31.44 26.27 2w18 n GLU 1010CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2w18 s GLU 1011N -4.88 0.61 0.20 3.49 2.02 -1.25 -4.45 118.70 114.44 2w18 s GLU 1011Ca 0.01 -0.01 -0.33 0.00 0.02 0.00 0.00 54.97 54.65 2w18 s GLU 1011Cb -0.00 -0.72 -0.13 0.00 0.10 0.00 0.00 34.13 33.37 2w18 s GLU 1011CO 0.01 -0.13 1.63 2.41 0.02 0.00 0.00 175.26 179.20 2w18 n THR 1012N 4.21 0.15 -2.80 3.63 -1.04 -1.15 -4.75 114.28 112.53 2w18 n THR 1012Ca -0.23 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 2w18 n THR 1012Cb 0.51 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.23 2w18 n THR 1012CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2w18 s ILE 1013N 0.87 4.88 -0.20 12.58 -1.09 -1.26 -1.35 121.20 135.63 2w18 s ILE 1013Ca 0.75 1.91 -0.13 0.00 -2.23 0.00 0.00 60.65 60.95 2w18 s ILE 1013Cb -0.59 -4.25 -0.20 0.00 -1.58 0.00 0.00 42.46 35.84 2w18 s ILE 1013CO 0.37 0.20 0.11 0.18 -1.23 0.00 0.00 174.94 174.57 2w18 n LEU 1014N 3.76 2.26 -3.99 2.97 4.77 0.15 -4.53 117.00 122.39 2w18 n LEU 1014Ca 0.04 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2w18 n LEU 1014Cb 0.51 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 2w18 n LEU 1014CO 0.51 0.59 -0.28 0.42 -1.33 0.00 0.00 177.39 177.30 2w18 s THR 1015N -2.47 0.16 0.13 -5.08 -4.23 -1.22 -4.78 115.64 98.15 2w18 s THR 1015Ca -0.29 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 2w18 s THR 1015Cb 0.08 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2w18 s THR 1015CO 0.63 -0.73 0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 2w18 s PHE 1016N -2.98 3.02 -0.09 3.99 0.40 -1.26 -1.22 117.98 119.84 2w18 s PHE 1016Ca -0.02 -0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2w18 s PHE 1016Cb 0.01 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 42.08 2w18 s PHE 1016CO -0.06 0.50 0.20 0.00 0.70 0.00 0.00 175.22 176.56 2w18 s ALA 1017N -1.54 -0.43 0.04 5.36 0.00 0.34 -4.90 121.76 120.64 2w18 s ALA 1017Ca 0.28 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2w18 s ALA 1017Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2w18 s ALA 1017CO 0.20 -0.17 0.98 -2.00 0.00 0.00 0.00 175.76 174.77 2w18 s GLU 1018N 1.14 4.61 -0.54 0.00 2.12 -1.26 -0.25 118.70 124.52 2w18 s GLU 1018Ca -0.09 1.45 -0.26 0.00 0.36 0.00 0.00 54.97 56.43 2w18 s GLU 1018Cb -0.10 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.90 2w18 s GLU 1018CO -0.07 0.04 1.05 0.08 -0.54 0.00 0.00 175.26 175.83 2w18 s VAL 1019N 0.63 4.24 0.12 3.70 1.01 -0.95 -4.49 120.40 124.66 2w18 s VAL 1019Ca 0.50 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.85 2w18 s VAL 1019Cb -0.22 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 2w18 s VAL 1019CO 0.29 -1.15 1.29 -1.58 0.00 0.00 0.00 175.10 173.95 2w18 s GLN 1020N 4.35 4.39 0.00 2.72 0.74 -0.86 -3.06 119.66 127.94 2w18 s GLN 1020Ca 0.38 1.94 0.00 0.00 0.05 0.00 0.00 55.36 57.73 2w18 s GLN 1020Cb -0.10 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.74 2w18 s GLN 1020CO 0.24 -0.31 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 2w18 n GLY 1021N 3.09 0.80 2.89 2.59 0.00 -1.26 -0.38 105.19 112.92 2w18 n GLY 1021Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2w18 n GLY 1021CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2w18 s MET 1022N -0.70 0.91 -0.10 1.61 0.00 -1.17 -4.72 119.30 115.14 2w18 s MET 1022Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 55.69 55.28 2w18 s MET 1022Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 34.83 33.87 2w18 s MET 1022CO 0.00 -0.10 1.49 1.14 0.00 0.00 0.00 175.02 177.55 2w18 s GLN 1023N 1.01 4.20 -1.32 4.11 0.00 -1.26 -3.71 119.66 122.69 2w18 s GLN 1023Ca -0.10 1.97 -0.03 0.00 -0.00 0.00 0.00 55.36 57.20 2w18 s GLN 1023Cb -0.14 -3.88 0.01 0.00 0.00 0.00 0.00 33.01 29.00 2w18 s GLN 1023CO -0.00 -0.78 0.90 0.39 0.00 0.00 0.00 175.29 175.80 2w18 n GLU 1024N 6.87 -5.98 -5.05 9.60 -0.58 -1.26 -4.88 120.64 119.35 2w18 n GLU 1024Ca 0.16 0.72 -0.32 0.00 -0.42 0.00 0.00 57.16 57.30 2w18 n GLU 1024Cb 0.44 -5.54 -0.14 0.00 -0.57 0.00 0.00 31.44 25.62 2w18 n GLU 1024CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2w18 s ALA 1025N -3.47 2.40 -0.05 0.62 0.00 -1.24 -0.37 121.76 119.65 2w18 s ALA 1025Ca 0.18 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2w18 s ALA 1025Cb -0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 2w18 s ALA 1025CO 0.78 0.54 -0.19 -1.17 0.00 0.00 0.00 175.76 175.72 2w18 s LEU 1026N -0.79 1.94 0.06 0.00 2.96 -0.42 -2.24 118.68 120.20 2w18 s LEU 1026Ca 0.11 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2w18 s LEU 1026Cb -0.10 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 2w18 s LEU 1026CO 0.00 0.17 0.06 -0.22 -1.32 0.00 0.00 176.35 175.05 2w18 s LEU 1027N 0.02 3.75 0.08 -0.68 0.20 0.66 -0.31 118.68 122.40 2w18 s LEU 1027Ca -0.04 -0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2w18 s LEU 1027Cb -0.12 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2w18 s LEU 1027CO 0.03 0.20 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.36 2w18 s GLY 1028N -2.19 0.72 0.02 7.98 0.00 0.20 -0.50 107.32 113.56 2w18 s GLY 1028Ca 0.27 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.97 2w18 s GLY 1028CO 0.19 -1.11 -0.02 -0.51 0.00 0.00 0.00 173.10 171.65 2w18 s THR 1029N -2.12 3.96 0.30 0.90 -4.23 -0.36 -0.91 115.64 113.18 2w18 s THR 1029Ca 0.00 -0.74 0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2w18 s THR 1029Cb -0.05 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 2w18 s THR 1029CO -0.00 0.33 -0.10 0.42 -0.54 0.00 0.00 174.62 174.73 2w18 s THR 1030N -1.10 2.02 -0.20 3.99 -4.23 0.09 0.32 115.64 116.51 2w18 s THR 1030Ca 0.20 -2.20 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 2w18 s THR 1030Cb -0.11 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.50 2w18 s THR 1030CO 0.11 -0.29 1.79 0.16 -0.54 0.00 0.00 174.62 175.86 2w18 h ILE 1031N 2.18 0.00 -0.07 2.99 -2.65 -1.51 -1.63 117.51 116.82 2w18 h ILE 1031Ca -0.41 -0.17 0.00 0.00 1.03 0.00 0.00 64.86 65.31 2w18 h ILE 1031Cb 1.24 0.88 0.00 0.00 -2.05 0.00 0.00 36.82 36.89 2w18 h ILE 1031CO 0.67 0.00 0.00 0.23 0.03 0.00 0.00 178.15 179.08 2w18 n MET 1032N -2.43 1.23 -2.91 0.16 2.81 -1.26 -4.88 117.12 109.84 2w18 n MET 1032Ca 0.00 -0.27 -0.21 0.00 -1.81 0.00 0.00 57.70 55.41 2w18 n MET 1032Cb 0.16 -1.22 0.02 0.00 -0.71 0.00 0.00 33.22 31.46 2w18 n MET 1032CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2w18 n ASN 1033N -0.18 -5.45 -4.83 7.83 5.15 -0.61 -4.91 115.26 112.26 2w18 n ASN 1033Ca 0.02 -0.21 -0.26 0.00 -0.60 0.00 0.00 54.58 53.54 2w18 n ASN 1033Cb 0.15 -4.46 -0.05 0.00 -0.53 0.00 0.00 39.78 34.89 2w18 n ASN 1033CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2w18 s ASN 1034N -2.52 5.65 0.01 1.20 0.01 -1.24 -1.54 114.94 116.51 2w18 s ASN 1034Ca 0.23 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.30 2w18 s ASN 1034Cb -0.11 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 2w18 s ASN 1034CO 0.29 0.05 0.01 0.27 -1.51 0.00 0.00 177.10 176.21 2w18 s ILE 1035N -1.80 4.22 0.12 0.60 -4.36 0.33 -0.73 121.20 119.57 2w18 s ILE 1035Ca 0.32 -0.63 0.09 0.00 -0.26 0.00 0.00 60.65 60.17 2w18 s ILE 1035Cb -0.10 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.67 2w18 s ILE 1035CO 0.24 0.33 -0.22 0.68 0.24 0.00 0.00 174.94 176.22 2w18 s VAL 1036N -1.14 1.86 -0.09 8.37 -7.23 -0.09 -0.78 120.40 121.30 2w18 s VAL 1036Ca 0.21 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2w18 s VAL 1036Cb -0.12 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2w18 s VAL 1036CO 0.12 -0.05 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.05 2w18 s ILE 1037N -1.23 1.63 0.01 -0.62 -1.09 -0.50 -0.62 121.20 118.78 2w18 s ILE 1037Ca 0.09 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2w18 s ILE 1037Cb -0.10 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 2w18 s ILE 1037CO 0.05 0.47 0.07 0.26 -1.23 0.00 0.00 174.94 174.55 2w18 s TRP 1038N 0.63 3.23 -0.37 3.97 0.51 0.58 0.52 118.94 128.00 2w18 s TRP 1038Ca -0.14 0.16 -0.25 0.00 -2.12 0.00 0.00 56.10 53.75 2w18 s TRP 1038Cb -0.16 -1.70 0.01 0.00 -0.81 0.00 0.00 33.47 30.81 2w18 s TRP 1038CO 0.04 0.53 0.91 1.21 -0.51 0.00 0.00 176.95 179.13 2w18 s ASN 1039N -1.84 6.65 0.41 2.95 3.84 -0.25 -1.30 114.94 125.39 2w18 s ASN 1039Ca 0.24 0.52 0.28 0.00 0.21 0.00 0.00 52.86 54.11 2w18 s ASN 1039Cb -0.12 -2.45 1.03 0.00 -0.55 0.00 0.00 41.25 39.15 2w18 s ASN 1039CO 0.15 -0.85 1.82 -0.07 -2.79 0.00 0.00 177.10 175.36 2w18 h LEU 1040N 10.05 0.00 -0.01 3.21 3.38 -1.02 0.21 115.31 131.12 2w18 h LEU 1040Ca -0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2w18 h LEU 1040Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2w18 h LEU 1040CO 0.97 0.00 -0.18 0.11 0.09 0.00 0.00 178.44 179.44 2w18 h LYS 1041N 0.00 0.14 0.00 1.13 1.57 -1.92 -3.38 116.57 114.11 2w18 h LYS 1041Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2w18 h LYS 1041Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2w18 h LYS 1041CO 0.00 0.85 -1.68 0.25 -0.57 0.00 0.00 179.45 178.29 2w18 n THR 1042N -4.57 0.04 0.00 -0.16 -2.24 -1.15 -4.98 114.28 101.22 2w18 n THR 1042Ca -0.09 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2w18 n THR 1042Cb 0.45 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2w18 n THR 1042CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w18 n GLY 1043N 1.31 2.45 3.77 3.38 0.00 0.71 -5.00 105.19 111.82 2w18 n GLY 1043Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2w18 n GLY 1043CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w18 s GLN 1044N -0.29 4.13 -0.12 1.61 -0.21 -1.23 -1.27 119.66 122.28 2w18 s GLN 1044Ca 0.00 1.94 -0.29 0.00 0.02 0.00 0.00 55.36 57.03 2w18 s GLN 1044Cb 0.00 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 2w18 s GLN 1044CO 0.00 -0.29 1.21 -1.17 -2.12 0.00 0.00 175.29 172.92 2w18 s LEU 1045N -2.30 4.22 -0.09 2.90 2.96 -1.26 -1.09 118.68 124.01 2w18 s LEU 1045Ca 0.55 1.71 -0.14 0.00 -0.22 0.00 0.00 54.13 56.03 2w18 s LEU 1045Cb -0.33 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.53 2w18 s LEU 1045CO 0.43 -0.67 0.60 -0.07 -1.32 0.00 0.00 176.35 175.31 2w18 h LEU 1046N 9.01 0.46 -7.05 -0.68 4.07 -0.27 -3.48 115.31 117.37 2w18 h LEU 1046Ca -0.29 -0.88 -0.05 0.00 0.08 0.00 0.00 57.88 56.73 2w18 h LEU 1046Cb 1.13 -0.15 -0.17 0.00 1.08 0.00 0.00 40.66 42.55 2w18 h LEU 1046CO 0.93 1.67 0.15 -0.54 -1.08 0.00 0.00 178.44 179.57 2w18 s LYS 1047N -2.51 1.10 -0.04 1.13 1.02 -1.17 -4.99 119.74 114.28 2w18 s LYS 1047Ca -0.19 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2w18 s LYS 1047Cb 0.05 0.51 0.01 0.00 -0.52 0.00 0.00 37.83 37.88 2w18 s LYS 1047CO 0.79 -0.39 -0.08 0.21 -0.92 0.00 0.00 175.35 174.97 2w18 s LYS 1048N -2.03 1.04 -0.03 1.68 2.20 -1.26 -1.41 119.74 119.93 2w18 s LYS 1048Ca -0.07 -0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2w18 s LYS 1048Cb -0.01 -0.95 0.03 0.00 -1.51 0.00 0.00 37.83 35.39 2w18 s LYS 1048CO 0.02 0.03 0.05 1.41 -0.36 0.00 0.00 175.35 176.51 2w18 s MET 1049N 0.51 -0.04 0.09 4.03 1.75 0.04 -4.98 119.30 120.69 2w18 s MET 1049Ca -0.08 0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 54.34 2w18 s MET 1049Cb -0.12 -0.32 -0.05 0.00 2.84 0.00 0.00 34.83 37.18 2w18 s MET 1049CO 0.01 -0.22 0.97 -1.58 -0.65 0.00 0.00 175.02 173.54 2w18 s HIS 1050N 1.47 3.78 -0.22 4.11 2.46 -1.26 -0.51 115.29 125.12 2w18 s HIS 1050Ca -0.04 1.78 -0.14 0.00 0.47 0.00 0.00 55.06 57.13 2w18 s HIS 1050Cb -0.13 -3.07 -0.04 0.00 -0.13 0.00 0.00 32.58 29.21 2w18 s HIS 1050CO -0.03 0.16 0.32 0.42 -2.47 0.00 0.00 174.74 173.13 2w18 s ILE 1051N 0.17 5.25 -0.48 0.89 1.01 -0.59 -4.92 121.20 122.53 2w18 s ILE 1051Ca 0.48 0.53 -0.43 0.00 0.00 0.00 0.00 60.65 61.22 2w18 s ILE 1051Cb -0.23 -3.65 -0.19 0.00 0.01 0.00 0.00 42.46 38.40 2w18 s ILE 1051CO 0.30 0.27 1.86 -0.67 0.00 0.00 0.00 174.94 176.70 2w18 n ASP 1052N 4.48 0.88 -4.64 3.58 4.64 -1.26 -4.89 116.55 119.34 2w18 n ASP 1052Ca -0.10 0.83 -0.43 0.00 -1.38 0.00 0.00 54.79 53.71 2w18 n ASP 1052Cb 0.51 -0.85 -0.03 0.00 -1.04 0.00 0.00 41.12 39.71 2w18 n ASP 1052CO 0.00 0.00 0.00 1.51 -0.82 0.00 0.00 177.20 177.89 2w18 s ASP 1053N 4.68 6.36 0.00 1.67 -4.77 -1.26 -5.16 116.67 118.19 2w18 s ASP 1053Ca 1.09 1.88 0.00 0.00 -3.30 0.00 0.00 52.55 52.22 2w18 s ASP 1053Cb -1.43 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 37.87 2w18 s ASP 1053CO 0.69 -1.24 0.00 0.00 0.70 0.00 0.00 175.17 175.32 2w18 n ALA 1057N 8.41 -0.07 0.00 2.11 0.00 -1.26 -5.20 120.51 124.49 2w18 n ALA 1057Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2w18 n ALA 1057Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2w18 n ALA 1057CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2w18 n SER 1058N 0.00 0.00 -4.60 0.00 7.64 -1.26 -5.01 113.62 110.39 2w18 n SER 1058Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2w18 n SER 1058Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2w18 n SER 1058CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2w18 s VAL 1059N 0.00 4.98 -0.31 0.44 0.11 -1.25 -4.58 120.40 119.80 2w18 s VAL 1059Ca 0.00 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.99 2w18 s VAL 1059Cb 0.00 -3.31 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2w18 s VAL 1059CO 0.00 0.36 0.18 0.00 -3.33 0.00 0.00 175.10 172.32 2w18 n HIS 1061N 5.04 0.39 -3.64 0.00 8.25 0.11 -4.75 115.22 120.61 2w18 n HIS 1061Ca -0.14 0.11 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2w18 n HIS 1061Cb 0.50 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 2w18 n HIS 1061CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2w18 s LYS 1062N -3.10 0.14 -0.03 -0.41 2.47 -1.23 -4.48 119.74 113.11 2w18 s LYS 1062Ca 0.09 0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.65 2w18 s LYS 1062Cb 0.15 0.07 0.01 0.00 -1.46 0.00 0.00 37.83 36.60 2w18 s LYS 1062CO 0.68 -0.02 -0.05 0.00 0.16 0.00 0.00 175.35 176.12 2w18 s ALA 1063N -0.14 0.63 0.11 3.13 0.00 -1.26 -0.04 121.76 124.19 2w18 s ALA 1063Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.98 2w18 s ALA 1063Cb -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2w18 s ALA 1063CO -0.13 0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.21 2w18 s TYR 1064N 0.58 1.60 -0.04 0.00 2.02 0.27 -2.04 117.35 119.74 2w18 s TYR 1064Ca -0.08 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2w18 s TYR 1064Cb -0.11 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2w18 s TYR 1064CO 0.00 0.19 -0.13 0.45 -1.57 0.00 0.00 175.55 174.49 2w18 s SER 1065N -2.14 1.71 -0.22 2.29 0.15 0.49 0.52 113.70 116.49 2w18 s SER 1065Ca 0.07 -0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.32 2w18 s SER 1065Cb -0.08 -0.56 0.07 0.00 -1.71 0.00 0.00 66.02 63.74 2w18 s SER 1065CO 0.04 0.09 0.55 -1.61 1.20 0.00 0.00 173.24 173.51 2w18 s GLU 1066N 0.27 0.55 -1.18 5.44 2.02 -0.39 -4.56 118.70 120.85 2w18 s GLU 1066Ca -0.06 1.01 -0.06 0.00 0.02 0.00 0.00 54.97 55.87 2w18 s GLU 1066Cb -0.12 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.18 2w18 s GLU 1066CO 0.02 -0.15 0.83 -1.33 0.02 0.00 0.00 175.26 174.64 2w18 n MET 1067N 4.27 -5.79 -0.15 1.61 2.81 -1.26 -1.69 117.12 116.93 2w18 n MET 1067Ca -0.22 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 2w18 n MET 1067Cb 0.57 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.78 2w18 n MET 1067CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2w18 n GLY 1068N -1.64 2.39 3.87 3.03 0.00 -1.26 -4.98 105.19 106.60 2w18 n GLY 1068Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2w18 n GLY 1068CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w18 s LEU 1069N 0.00 4.31 -0.17 0.99 1.43 -0.68 -4.19 118.68 120.37 2w18 s LEU 1069Ca 0.00 0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 2w18 s LEU 1069Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2w18 s LEU 1069CO 0.00 0.12 0.04 -0.22 0.23 0.00 0.00 176.35 176.52 2w18 s LEU 1070N -2.17 3.72 -0.20 1.79 2.96 0.06 -1.26 118.68 123.58 2w18 s LEU 1070Ca 0.36 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2w18 s LEU 1070Cb -0.13 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.64 2w18 s LEU 1070CO 0.20 0.19 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.91 2w18 s PHE 1071N 0.28 2.86 -0.09 5.38 0.08 0.19 -0.34 117.98 126.35 2w18 s PHE 1071Ca 0.02 -1.51 0.03 0.00 0.12 0.00 0.00 56.93 55.59 2w18 s PHE 1071Cb -0.13 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 2w18 s PHE 1071CO 0.01 -0.75 -0.17 0.96 -0.10 0.00 0.00 175.22 175.17 2w18 s ILE 1072N 1.33 1.51 -0.23 0.64 -4.36 -0.49 0.93 121.20 120.52 2w18 s ILE 1072Ca 0.04 -0.68 -0.10 0.00 -0.26 0.00 0.00 60.65 59.64 2w18 s ILE 1072Cb -0.14 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.17 2w18 s ILE 1072CO -0.10 0.44 0.15 0.54 0.24 0.00 0.00 174.94 176.22 2w18 s VAL 1073N 0.66 5.35 0.06 8.37 0.11 0.94 -1.59 120.40 134.30 2w18 s VAL 1073Ca -0.14 0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 2w18 s VAL 1073Cb -0.16 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 2w18 s VAL 1073CO 0.04 0.36 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.18 2w18 s LEU 1074N 0.97 2.20 -0.07 2.54 1.02 -0.11 0.09 118.68 125.31 2w18 s LEU 1074Ca 0.07 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 53.69 2w18 s LEU 1074Cb -0.13 -1.06 -0.00 0.00 0.02 0.00 0.00 46.19 45.02 2w18 s LEU 1074CO 0.04 0.17 -0.22 -0.94 0.02 0.00 0.00 176.35 175.42 2w18 s SER 1075N -1.37 2.75 -0.25 2.29 1.04 -1.04 -0.47 113.70 116.65 2w18 s SER 1075Ca 0.09 -0.48 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 2w18 s SER 1075Cb -0.09 -1.02 0.01 0.00 0.10 0.00 0.00 66.02 65.02 2w18 s SER 1075CO 0.03 0.17 0.14 -0.81 0.98 0.00 0.00 173.24 173.75 2w18 n PRO 1088N 3.31 -0.81 0.23 4.02 -0.04 -1.25 -3.89 135.00 136.58 2w18 n PRO 1088Ca -0.19 -0.33 -0.15 0.00 -0.04 0.00 0.00 63.50 62.79 2w18 n PRO 1088Cb 0.52 0.14 -0.08 0.00 -0.04 0.00 0.00 33.50 34.05 2w18 n PRO 1088CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2w18 h VAL 1089N 1.75 0.57 -2.21 0.52 2.07 -0.84 -3.45 116.25 114.67 2w18 h VAL 1089Ca -0.15 -0.24 -0.57 0.00 0.82 0.00 0.00 66.70 66.57 2w18 h VAL 1089Cb 0.30 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 2w18 h VAL 1089CO 0.11 0.04 -0.66 -0.36 0.02 0.00 0.00 177.57 176.72 2w18 s PHE 1090N -5.51 2.64 -0.01 1.57 0.08 -1.04 -4.81 117.98 110.90 2w18 s PHE 1090Ca -0.15 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 2w18 s PHE 1090Cb 0.03 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2w18 s PHE 1090CO 0.59 0.63 0.03 -1.14 -0.10 0.00 0.00 175.22 175.23 2w18 s GLN 1091N -3.65 0.01 -0.25 0.44 0.74 0.38 -1.12 119.66 116.21 2w18 s GLN 1091Ca 0.31 0.09 -0.06 0.00 0.05 0.00 0.00 55.36 55.75 2w18 s GLN 1091Cb -0.06 -0.07 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 2w18 s GLN 1091CO 0.19 -0.06 0.02 -1.17 -0.55 0.00 0.00 175.29 173.73 2w18 s LEU 1092N 0.37 3.28 -0.11 3.68 2.96 0.27 -0.94 118.68 128.19 2w18 s LEU 1092Ca -0.03 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2w18 s LEU 1092Cb -0.04 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2w18 s LEU 1092CO -0.01 -0.06 0.06 -0.63 -1.32 0.00 0.00 176.35 174.39 2w18 s ILE 1093N 1.53 4.81 -0.17 6.68 1.01 -0.62 -1.26 121.20 133.18 2w18 s ILE 1093Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 2w18 s ILE 1093Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 2w18 s ILE 1093CO 0.00 0.59 -0.11 -0.69 0.00 0.00 0.00 174.94 174.74 2w18 s VAL 1094N -0.74 3.05 -0.05 2.92 1.01 -0.67 -1.40 120.40 124.53 2w18 s VAL 1094Ca 0.12 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2w18 s VAL 1094Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2w18 s VAL 1094CO 0.03 0.49 -0.24 -0.63 0.00 0.00 0.00 175.10 174.74 2w18 s ILE 1095N 0.89 1.94 -0.54 2.22 1.01 0.54 -2.49 121.20 124.78 2w18 s ILE 1095Ca -0.03 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 2w18 s ILE 1095Cb -0.15 -1.64 0.07 0.00 0.01 0.00 0.00 42.46 40.76 2w18 s ILE 1095CO -0.00 0.54 0.67 0.21 0.00 0.00 0.00 174.94 176.37 2w18 s ASN 1096N -0.24 6.21 0.58 3.58 3.04 -0.86 -0.76 114.94 126.49 2w18 s ASN 1096Ca -0.00 -1.08 0.32 0.00 0.04 0.00 0.00 52.86 52.13 2w18 s ASN 1096Cb -0.12 -2.30 1.81 0.00 -1.54 0.00 0.00 41.25 39.09 2w18 s ASN 1096CO 0.02 -1.00 2.22 -0.65 -3.04 0.00 0.00 177.10 174.65 2w18 h PRO 1097N 9.09 0.00 0.19 0.43 0.11 -1.89 1.24 132.00 141.17 2w18 h PRO 1097Ca -0.28 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.51 2w18 h PRO 1097Cb 1.09 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.24 2w18 h PRO 1097CO 1.02 0.03 -1.37 -0.22 -0.21 0.00 0.00 178.00 177.26 2w18 h LYS 1098N 0.00 0.59 0.00 1.05 3.64 -1.92 -3.33 116.57 116.60 2w18 h LYS 1098Ca -0.00 -0.89 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 2w18 h LYS 1098Cb 0.11 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2w18 h LYS 1098CO 0.00 1.42 -1.14 0.25 -2.27 0.00 0.00 179.45 177.71 2w18 n THR 1099N -3.76 0.00 -1.09 1.00 -2.24 -0.95 -4.96 114.28 102.28 2w18 n THR 1099Ca -0.15 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 2w18 n THR 1099Cb 1.05 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 2w18 n THR 1099CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2w18 n THR 1100N -1.62 0.00 -3.33 4.28 -1.04 0.42 -4.96 114.28 108.03 2w18 n THR 1100Ca 0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.65 2w18 n THR 1100Cb 0.36 -0.82 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 2w18 n THR 1100CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2w18 s LEU 1101N -0.73 4.18 -0.02 -4.42 1.43 -1.15 -4.86 118.68 113.12 2w18 s LEU 1101Ca 0.00 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2w18 s LEU 1101Cb 0.00 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2w18 s LEU 1101CO 0.00 -0.08 -0.06 -0.94 0.23 0.00 0.00 176.35 175.49 2w18 s SER 1102N 0.96 0.83 0.02 2.29 1.04 -1.26 -2.02 113.70 115.55 2w18 s SER 1102Ca 0.22 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.55 2w18 s SER 1102Cb -0.15 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 2w18 s SER 1102CO 0.09 0.05 -0.08 -0.69 0.98 0.00 0.00 173.24 173.59 2w18 s VAL 1103N 0.13 0.59 0.30 5.02 1.01 -1.04 -4.86 120.40 121.56 2w18 s VAL 1103Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2w18 s VAL 1103Cb -0.06 -0.56 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 2w18 s VAL 1103CO -0.00 -0.07 1.44 -0.83 0.00 0.00 0.00 175.10 175.64 2w18 s GLY 1104N -0.79 2.59 0.00 4.51 0.00 -1.26 -1.66 107.32 110.71 2w18 s GLY 1104Ca -0.02 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2w18 s GLY 1104CO 0.00 2.23 0.00 -0.62 0.00 0.00 0.00 173.10 174.71 2w18 n VAL 1105N 1.51 0.00 -3.76 1.40 0.31 -0.39 -4.91 118.33 112.50 2w18 n VAL 1105Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 2w18 n VAL 1105Cb 0.40 1.41 -0.15 0.00 -0.91 0.00 0.00 33.84 34.59 2w18 n VAL 1105CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2w18 s MET 1106N 0.00 0.04 -0.17 5.55 -1.94 -0.95 -4.99 119.30 116.82 2w18 s MET 1106Ca 0.00 0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 54.25 2w18 s MET 1106Cb 0.00 -0.20 -0.01 0.00 2.01 0.00 0.00 34.83 36.63 2w18 s MET 1106CO 0.00 -0.16 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.23 2w18 s LEU 1107N 1.09 2.67 -0.36 -0.03 2.01 -1.26 -0.56 118.68 122.23 2w18 s LEU 1107Ca -0.09 -0.42 -0.11 0.00 0.01 0.00 0.00 54.13 53.53 2w18 s LEU 1107Cb -0.12 -1.63 0.01 0.00 0.01 0.00 0.00 46.19 44.46 2w18 s LEU 1107CO -0.04 0.06 0.20 -0.31 1.01 0.00 0.00 176.35 177.27 2w18 s TYR 1108N 0.98 3.22 0.18 0.29 1.51 -0.28 -5.02 117.35 118.23 2w18 s TYR 1108Ca -0.01 -0.76 0.10 0.00 -1.01 0.00 0.00 57.07 55.39 2w18 s TYR 1108Cb -0.15 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 2w18 s TYR 1108CO -0.01 -0.57 -0.22 0.00 -1.11 0.00 0.00 175.55 173.65 2w18 s LEU 1110N -2.63 3.94 0.99 0.00 1.43 -1.26 -4.68 118.68 116.46 2w18 s LEU 1110Ca 0.18 2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 2w18 s LEU 1110Cb -0.07 -4.37 0.10 0.00 0.03 0.00 0.00 46.19 41.87 2w18 s LEU 1110CO 0.08 -0.90 0.58 -2.65 0.23 0.00 0.00 176.35 173.70 2w18 n PRO 1111N -0.71 -0.73 -1.54 1.29 -0.02 -1.26 -4.82 135.00 127.22 2w18 n PRO 1111Ca 0.08 -0.17 -0.60 0.00 -2.02 0.00 0.00 63.50 60.79 2w18 n PRO 1111Cb 0.50 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2w18 n PRO 1111CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w18 n PRO 1112N -2.69 0.44 -2.74 0.52 -0.02 -1.26 -2.68 135.00 126.57 2w18 n PRO 1112Ca 0.07 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 2w18 n PRO 1112Cb 0.55 -1.79 0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2w18 n PRO 1112CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w18 n GLY 1113N 5.56 -0.59 2.77 -1.23 0.00 -1.26 -5.06 105.19 105.38 2w18 n GLY 1113Ca 0.39 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.54 2w18 n GLY 1113CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2w18 s GLN 1114N -3.94 0.45 0.17 1.61 2.00 -1.09 -5.15 119.66 113.72 2w18 s GLN 1114Ca 0.31 0.13 0.01 0.00 -2.00 0.00 0.00 55.36 53.81 2w18 s GLN 1114Cb -0.04 -0.80 -0.04 0.00 0.80 0.00 0.00 33.01 32.93 2w18 s GLN 1114CO 0.53 -0.26 0.34 0.00 -0.50 0.00 0.00 175.29 175.40 2w18 s ALA 1115N 1.75 3.90 0.00 1.58 0.00 -1.26 -4.87 121.76 122.86 2w18 s ALA 1115Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2w18 s ALA 1115Cb -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2w18 s ALA 1115CO -0.04 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2w18 n GLY 1116N -0.58 0.69 3.51 0.00 0.00 -1.26 -4.60 105.19 102.95 2w18 n GLY 1116Ca -0.06 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2w18 n GLY 1116CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w18 s ARG 1117N 0.19 1.83 0.24 1.61 3.00 -1.26 -4.88 118.95 119.67 2w18 s ARG 1117Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 55.73 53.94 2w18 s ARG 1117Cb 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 34.95 32.84 2w18 s ARG 1117CO 0.00 0.39 1.37 0.34 0.00 0.00 0.00 175.30 177.41 2w18 n PHE 1118N -0.14 2.07 0.01 -0.53 7.35 -1.26 0.42 117.46 125.38 2w18 n PHE 1118Ca -0.10 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 2w18 n PHE 1118Cb 0.57 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.96 2w18 n PHE 1118CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2w18 n LEU 1119N 2.09 0.17 -3.67 -2.13 7.94 0.87 -4.67 117.00 117.61 2w18 n LEU 1119Ca 0.12 0.02 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 2w18 n LEU 1119Cb 0.31 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.17 2w18 n LEU 1119CO 0.62 -0.13 0.28 -1.83 -1.11 0.00 0.00 177.39 175.22 2w18 s GLU 1120N -2.00 1.31 0.24 1.96 4.04 -1.06 -4.99 118.70 118.20 2w18 s GLU 1120Ca 0.00 -0.77 -0.21 0.00 0.04 0.00 0.00 54.97 54.03 2w18 s GLU 1120Cb 0.00 0.52 0.06 0.00 0.02 0.00 0.00 34.13 34.74 2w18 s GLU 1120CO 0.00 -0.55 0.93 0.20 -1.84 0.00 0.00 175.26 173.99 2w18 s GLY 1121N -2.84 0.08 -0.21 -3.83 0.00 -1.26 0.92 107.32 100.18 2w18 s GLY 1121Ca 0.07 -0.33 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 2w18 s GLY 1121CO -0.06 0.89 0.57 -0.35 0.00 0.00 0.00 173.10 174.15 2w18 s ASP 1122N -3.16 -0.59 0.03 1.64 2.15 0.15 -4.99 116.67 111.90 2w18 s ASP 1122Ca 0.17 1.13 0.07 0.00 0.43 0.00 0.00 52.55 54.34 2w18 s ASP 1122Cb -0.03 1.14 -0.02 0.00 -0.30 0.00 0.00 42.92 43.71 2w18 s ASP 1122CO 0.06 -0.21 -0.20 0.54 -0.17 0.00 0.00 175.17 175.19 2w18 s VAL 1123N 0.24 1.60 -0.03 1.11 0.11 -1.26 -0.96 120.40 121.20 2w18 s VAL 1123Ca -0.00 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2w18 s VAL 1123Cb -0.04 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2w18 s VAL 1123CO 0.01 0.25 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.27 2w18 s LYS 1124N -0.99 0.47 6.94 1.54 2.20 -0.75 -4.97 119.74 124.17 2w18 s LYS 1124Ca 0.07 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2w18 s LYS 1124Cb -0.08 -0.59 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 2w18 s LYS 1124CO 0.01 -0.12 0.00 -0.25 -0.36 0.00 0.00 175.35 174.63 2w18 n ASP 1125N 4.10 0.00 -0.63 1.43 10.43 -1.26 -1.59 116.55 129.03 2w18 n ASP 1125Ca -0.26 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.16 2w18 n ASP 1125Cb 0.50 0.00 0.19 0.00 1.84 0.00 0.00 41.12 43.65 2w18 n ASP 1125CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2w18 n HIS 1126N 12.61 0.00 -5.11 1.24 8.25 -1.26 -4.98 115.22 125.97 2w18 n HIS 1126Ca 0.00 -1.38 -0.32 0.00 -0.26 0.00 0.00 57.72 55.76 2w18 n HIS 1126Cb 0.00 -0.23 -0.15 0.00 1.12 0.00 0.00 29.99 30.72 2w18 n HIS 1126CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2w18 s ALA 1128N -0.28 2.61 -0.02 0.00 0.00 -0.48 -1.82 121.76 121.77 2w18 s ALA 1128Ca 0.01 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.03 2w18 s ALA 1128Cb -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2w18 s ALA 1128CO 0.03 0.52 -0.17 0.00 0.00 0.00 0.00 175.76 176.14 2w18 s ALA 1129N -0.61 1.42 0.02 0.00 0.00 -0.14 -0.34 121.76 122.11 2w18 s ALA 1129Ca 0.09 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2w18 s ALA 1129Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2w18 s ALA 1129CO 0.01 0.33 -0.06 0.00 0.00 0.00 0.00 175.76 176.04 2w18 s ALA 1130N -0.32 0.50 -0.17 0.00 0.00 -0.03 -0.68 121.76 121.06 2w18 s ALA 1130Ca 0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2w18 s ALA 1130Cb -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2w18 s ALA 1130CO -0.00 0.06 0.40 0.42 0.00 0.00 0.00 175.76 176.64 2w18 s ILE 1131N -0.64 5.22 0.14 0.00 1.01 0.26 -1.45 121.20 125.74 2w18 s ILE 1131Ca -0.03 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 2w18 s ILE 1131Cb -0.05 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2w18 s ILE 1131CO 0.00 0.30 0.35 -0.76 0.00 0.00 0.00 174.94 174.84 2w18 s LEU 1132N 0.92 4.27 0.56 2.97 1.43 -0.55 -0.09 118.68 128.20 2w18 s LEU 1132Ca 0.21 0.51 0.28 0.00 -1.03 0.00 0.00 54.13 54.09 2w18 s LEU 1132Cb -0.14 -3.24 1.48 0.00 0.03 0.00 0.00 46.19 44.32 2w18 s LEU 1132CO 0.08 0.05 1.98 0.71 0.23 0.00 0.00 176.35 179.40 2w18 h THR 1133N 1.97 0.54 -0.59 5.49 1.35 -0.30 0.31 112.91 121.68 2w18 h THR 1133Ca -0.46 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.45 2w18 h THR 1133Cb 1.17 0.70 -0.05 0.00 -1.73 0.00 0.00 68.15 68.24 2w18 h THR 1133CO 0.72 0.00 0.31 0.77 -0.25 0.00 0.00 175.52 177.08 2w18 h SER 1134N 0.00 0.46 0.00 5.36 4.64 -1.81 -3.47 113.55 118.72 2w18 h SER 1134Ca 0.22 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2w18 h SER 1134Cb 1.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2w18 h SER 1134CO -0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 2w18 n GLY 1135N -1.27 1.23 3.87 -0.77 0.00 0.11 -5.01 105.19 103.35 2w18 n GLY 1135Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2w18 n GLY 1135CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w18 s THR 1136N -1.27 4.75 -0.19 2.61 2.01 -1.26 -3.44 115.64 118.85 2w18 s THR 1136Ca 0.00 0.72 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 2w18 s THR 1136Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2w18 s THR 1136CO 0.00 -0.45 0.14 -0.63 -0.69 0.00 0.00 174.62 173.00 2w18 s ILE 1137N -2.29 5.41 -0.02 1.82 1.01 0.51 -1.48 121.20 126.17 2w18 s ILE 1137Ca 0.52 0.22 0.08 0.00 0.00 0.00 0.00 60.65 61.47 2w18 s ILE 1137Cb -0.10 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2w18 s ILE 1137CO 0.28 0.45 -0.25 0.00 0.00 0.00 0.00 174.94 175.42 2w18 s ALA 1138N 0.25 2.19 -0.05 9.38 0.00 -0.53 0.12 121.76 133.13 2w18 s ALA 1138Ca 0.09 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2w18 s ALA 1138Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2w18 s ALA 1138CO -0.01 0.52 -0.19 0.42 0.00 0.00 0.00 175.76 176.51 2w18 s ILE 1139N -0.59 2.68 0.12 0.00 -1.09 -0.40 -0.85 121.20 121.07 2w18 s ILE 1139Ca 0.09 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.73 2w18 s ILE 1139Cb -0.10 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 2w18 s ILE 1139CO -0.01 0.58 -0.19 0.26 -1.23 0.00 0.00 174.94 174.36 2w18 s TRP 1140N -0.59 1.70 -0.33 3.97 0.51 0.54 0.07 118.94 124.82 2w18 s TRP 1140Ca 0.08 -0.45 -0.17 0.00 -2.12 0.00 0.00 56.10 53.44 2w18 s TRP 1140Cb -0.11 -0.91 -0.01 0.00 -0.81 0.00 0.00 33.47 31.63 2w18 s TRP 1140CO 0.01 0.22 0.47 0.34 -0.51 0.00 0.00 176.95 177.48 2w18 s ASP 1141N -2.17 6.29 0.38 2.95 -1.08 -0.80 -1.38 116.67 120.86 2w18 s ASP 1141Ca 0.09 0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.20 2w18 s ASP 1141Cb -0.08 -2.25 0.75 0.00 -1.46 0.00 0.00 42.92 39.88 2w18 s ASP 1141CO 0.05 -0.40 1.94 -0.07 0.52 0.00 0.00 175.17 177.20 2w18 h LEU 1142N 8.94 0.36 0.02 -1.34 3.38 0.02 0.31 115.31 127.01 2w18 h LEU 1142Ca -0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2w18 h LEU 1142Cb 1.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2w18 h LEU 1142CO 0.74 0.42 -0.01 -0.07 0.09 0.00 0.00 178.44 179.61 2w18 h LEU 1143N 0.39 -0.03 -1.53 1.67 3.38 -1.93 -3.32 115.31 113.94 2w18 h LEU 1143Ca 0.09 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2w18 h LEU 1143Cb 0.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2w18 h LEU 1143CO 0.01 0.73 0.00 -0.07 0.09 0.00 0.00 178.44 179.20 2w18 h LEU 1144N -0.83 0.00 0.00 1.67 4.07 -1.86 -3.46 115.31 114.91 2w18 h LEU 1144Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2w18 h LEU 1144Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2w18 h LEU 1144CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2w18 n GLY 1145N -0.24 2.16 3.73 0.83 0.00 0.11 -4.98 105.19 106.79 2w18 n GLY 1145Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2w18 n GLY 1145CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2w18 s GLN 1146N -0.03 2.91 -0.59 1.61 -2.07 -1.21 -4.81 119.66 115.47 2w18 s GLN 1146Ca 0.00 -0.55 -0.26 0.00 -1.82 0.00 0.00 55.36 52.73 2w18 s GLN 1146Cb 0.00 -2.75 -0.03 0.00 -1.09 0.00 0.00 33.01 29.14 2w18 s GLN 1146CO 0.00 0.64 1.94 0.00 -1.32 0.00 0.00 175.29 176.55 2w18 n THR 1148N 7.33 0.17 -3.65 0.00 -2.24 0.11 -4.90 114.28 111.11 2w18 n THR 1148Ca 0.23 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2w18 n THR 1148Cb 0.52 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 2w18 n THR 1148CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w18 s ALA 1149N -1.83 -2.20 -0.08 6.98 0.00 -1.17 -4.72 121.76 118.73 2w18 s ALA 1149Ca 0.30 1.72 0.04 0.00 0.00 0.00 0.00 51.96 54.02 2w18 s ALA 1149Cb 0.16 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2w18 s ALA 1149CO 0.24 -0.13 -0.19 -0.51 0.00 0.00 0.00 175.76 175.18 2w18 s LEU 1150N -0.19 2.44 -0.33 0.00 2.01 -1.26 -1.27 118.68 120.07 2w18 s LEU 1150Ca 0.08 -0.37 0.03 0.00 0.01 0.00 0.00 54.13 53.87 2w18 s LEU 1150Cb -0.04 -1.49 0.10 0.00 0.01 0.00 0.00 46.19 44.77 2w18 s LEU 1150CO -0.14 0.25 0.06 -0.22 1.01 0.00 0.00 176.35 177.31 2w18 s LEU 1151N -0.14 4.13 0.71 1.79 2.96 0.31 -4.97 118.68 123.47 2w18 s LEU 1151Ca -0.02 -2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 51.75 2w18 s LEU 1151Cb -0.14 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.13 2w18 s LEU 1151CO 0.04 -0.39 1.06 -2.84 -1.32 0.00 0.00 176.35 172.90 2w18 s PRO 1152N 1.08 2.85 0.56 0.98 0.02 -1.26 -0.36 135.00 138.87 2w18 s PRO 1152Ca 0.11 0.86 -0.21 0.00 0.02 0.00 0.00 61.00 61.78 2w18 s PRO 1152Cb -0.19 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 2w18 s PRO 1152CO -0.12 -1.14 1.23 -2.30 -0.33 0.00 0.00 177.00 174.34 2w18 n PRO 1153N -3.14 1.40 0.00 5.54 -0.02 -1.26 -4.89 135.00 132.62 2w18 n PRO 1153Ca 0.07 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 2w18 n PRO 1153Cb 0.54 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2w18 n PRO 1153CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2w18 n VAL 1154N -1.28 0.00 -0.36 -1.45 0.24 -1.26 -5.06 118.33 109.16 2w18 n VAL 1154Ca 0.12 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 2w18 n VAL 1154Cb 0.45 1.06 0.01 0.00 -1.47 0.00 0.00 33.84 33.89 2w18 n VAL 1154CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2w18 n GLN 1157N -0.89 1.69 -1.72 7.34 -0.00 -1.26 -5.06 117.38 117.47 2w18 n GLN 1157Ca 0.04 -0.04 -0.38 0.00 -0.00 0.00 0.00 57.00 56.61 2w18 n GLN 1157Cb 0.23 -0.52 0.05 0.00 -0.00 0.00 0.00 30.24 30.00 2w18 n GLN 1157CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2w18 n HIS 1158N -2.60 1.94 -1.91 2.61 -0.00 -1.26 -4.95 115.22 109.04 2w18 n HIS 1158Ca 0.00 0.43 -0.42 0.00 -0.00 0.00 0.00 57.72 57.74 2w18 n HIS 1158Cb 0.02 -2.30 -0.03 0.00 -0.00 0.00 0.00 29.99 27.68 2w18 n HIS 1158CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2w18 s TRP 1159N -1.35 3.03 -0.23 4.41 0.23 -1.22 -4.51 118.94 119.30 2w18 s TRP 1159Ca 0.76 0.59 0.07 0.00 -2.03 0.00 0.00 56.10 55.48 2w18 s TRP 1159Cb -0.41 -3.95 -0.20 0.00 0.03 0.00 0.00 33.47 28.94 2w18 s TRP 1159CO 0.46 -3.53 -0.07 0.45 0.96 0.00 0.00 176.95 175.22 2w18 n SER 1160N 4.02 1.30 -3.72 2.95 2.88 0.17 -4.94 113.62 116.28 2w18 n SER 1160Ca 0.14 -0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 2w18 n SER 1160Cb 0.38 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 2w18 n SER 1160CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2w18 s PHE 1161N -2.51 -0.09 -0.01 0.66 -0.71 -1.04 -5.00 117.98 109.27 2w18 s PHE 1161Ca -0.25 -0.23 0.02 0.00 -1.04 0.00 0.00 56.93 55.43 2w18 s PHE 1161Cb 0.08 0.14 -0.00 0.00 -1.21 0.00 0.00 43.02 42.02 2w18 s PHE 1161CO 0.69 -0.62 -0.07 0.54 -1.34 0.00 0.00 175.22 174.43 2w18 s VAL 1162N -3.57 0.57 -0.07 -2.49 0.11 -1.26 -1.31 120.40 112.38 2w18 s VAL 1162Ca 0.02 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2w18 s VAL 1162Cb 0.02 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2w18 s VAL 1162CO -0.10 0.17 0.17 -0.75 -3.33 0.00 0.00 175.10 171.26 2w18 s LYS 1163N 0.01 0.15 0.41 1.54 2.47 -0.30 -4.56 119.74 119.45 2w18 s LYS 1163Ca 0.00 0.32 -0.24 0.00 -1.56 0.00 0.00 55.97 54.49 2w18 s LYS 1163Cb -0.05 -0.04 -0.09 0.00 -1.46 0.00 0.00 37.83 36.19 2w18 s LYS 1163CO -0.00 -0.10 1.07 -1.58 0.16 0.00 0.00 175.35 174.90 2w18 s TRP 1164N 0.66 3.21 0.30 4.03 0.52 -1.26 -0.36 118.94 126.04 2w18 s TRP 1164Ca -0.05 1.62 -0.29 0.00 0.02 0.00 0.00 56.10 57.41 2w18 s TRP 1164Cb -0.06 -3.18 -0.10 0.00 -1.15 0.00 0.00 33.47 28.98 2w18 s TRP 1164CO -0.03 -0.78 1.19 0.45 0.02 0.00 0.00 176.95 177.80 2w18 s SER 1165N -1.51 7.04 0.00 2.95 0.15 0.03 -4.73 113.70 117.64 2w18 s SER 1165Ca 0.58 2.44 0.26 0.00 0.70 0.00 0.00 55.95 59.94 2w18 s SER 1165Cb -0.23 -2.64 0.80 0.00 -1.71 0.00 0.00 66.02 62.24 2w18 s SER 1165CO 0.29 -0.32 1.60 0.61 1.20 0.00 0.00 173.24 176.62 2w18 n GLY 1166N 1.01 0.32 0.07 9.45 0.00 -1.10 -4.04 105.19 110.90 2w18 n GLY 1166Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2w18 n GLY 1166CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w18 n THR 1167N 0.51 0.90 -3.06 2.61 -2.24 -1.26 -4.90 114.28 106.84 2w18 n THR 1167Ca 0.18 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2w18 n THR 1167Cb 0.42 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2w18 n THR 1167CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2w18 n ASP 1168N -2.71 0.00 -3.52 3.42 5.68 -1.26 -5.05 116.55 113.12 2w18 n ASP 1168Ca -0.24 -0.81 -0.40 0.00 -0.50 0.00 0.00 54.79 52.83 2w18 n ASP 1168Cb 0.86 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.84 2w18 n ASP 1168CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2w18 n SER 1169N -1.22 7.60 -4.35 -1.12 2.88 -1.26 -4.40 113.62 111.76 2w18 n SER 1169Ca 0.00 -3.06 -0.28 0.00 -1.33 0.00 0.00 58.87 54.20 2w18 n SER 1169Cb 0.00 -1.41 -0.13 0.00 -0.75 0.00 0.00 64.21 61.92 2w18 n SER 1169CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2w18 s HIS 1170N -0.39 2.19 -0.13 0.66 3.76 -1.26 -1.43 115.29 118.68 2w18 s HIS 1170Ca 0.54 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.99 2w18 s HIS 1170Cb 0.17 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 2w18 s HIS 1170CO -0.07 0.25 0.10 -1.17 -0.85 0.00 0.00 174.74 172.99 2w18 s LEU 1171N -1.79 4.10 -0.25 0.89 0.20 0.10 -0.79 118.68 121.15 2w18 s LEU 1171Ca 0.12 0.30 -0.05 0.00 0.69 0.00 0.00 54.13 55.19 2w18 s LEU 1171Cb -0.10 -2.00 -0.00 0.00 -0.43 0.00 0.00 46.19 43.65 2w18 s LEU 1171CO 0.05 0.33 0.01 -0.76 -0.29 0.00 0.00 176.35 175.69 2w18 s LEU 1172N -0.57 3.29 -0.11 -0.68 1.43 0.51 -0.45 118.68 122.10 2w18 s LEU 1172Ca 0.12 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2w18 s LEU 1172Cb -0.12 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 2w18 s LEU 1172CO 0.02 -0.08 -0.22 0.00 0.23 0.00 0.00 176.35 176.30 2w18 s ALA 1173N 1.49 2.25 0.14 4.21 0.00 0.12 -1.15 121.76 128.82 2w18 s ALA 1173Ca 0.04 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.12 2w18 s ALA 1173Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2w18 s ALA 1173CO -0.01 0.24 -0.23 0.20 0.00 0.00 0.00 175.76 175.96 2w18 s GLY 1174N 0.41 1.46 0.26 0.00 0.00 -0.43 0.29 107.32 109.32 2w18 s GLY 1174Ca -0.16 -1.43 0.09 0.00 0.00 0.00 0.00 44.72 43.22 2w18 s GLY 1174CO 0.07 -1.43 0.05 1.20 0.00 0.00 0.00 173.10 172.99 2w18 s GLN 1175N -2.22 2.47 0.51 2.90 -0.21 -0.09 0.42 119.66 123.44 2w18 s GLN 1175Ca 0.13 -1.32 0.17 0.00 0.02 0.00 0.00 55.36 54.36 2w18 s GLN 1175Cb -0.09 -2.27 1.24 0.00 1.00 0.00 0.00 33.01 32.89 2w18 s GLN 1175CO 0.06 0.37 2.10 0.87 -2.12 0.00 0.00 175.29 176.57 2w18 h LYS 1176N 1.77 0.08 0.00 2.91 1.57 -1.82 -1.81 116.57 119.27 2w18 h LYS 1176Ca -0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2w18 h LYS 1176Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2w18 h LYS 1176CO 0.61 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 179.14 2w18 n ASP 1177N -4.50 0.00 0.00 0.86 3.85 -1.26 -1.73 116.55 113.77 2w18 n ASP 1177Ca 0.01 -1.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 2w18 n ASP 1177Cb 0.21 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 2w18 n ASP 1177CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2w18 n GLY 1178N 0.46 1.69 3.71 6.12 0.00 -0.68 -4.33 105.19 112.16 2w18 n GLY 1178Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2w18 n GLY 1178CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2w18 s ASN 1179N -1.63 7.20 -0.15 1.61 0.01 -1.25 -3.41 114.94 117.32 2w18 s ASN 1179Ca 0.00 1.87 -0.02 0.00 -0.71 0.00 0.00 52.86 54.00 2w18 s ASN 1179Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 2w18 s ASN 1179CO 0.00 -0.38 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.50 2w18 s ILE 1180N 1.04 3.48 -0.12 0.60 -1.09 -0.14 -0.91 121.20 124.05 2w18 s ILE 1180Ca 0.56 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 2w18 s ILE 1180Cb -0.26 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2w18 s ILE 1180CO 0.29 0.50 -0.06 -0.36 -1.23 0.00 0.00 174.94 174.08 2w18 s PHE 1181N 0.42 2.97 -0.23 3.97 0.08 0.14 -0.62 117.98 124.72 2w18 s PHE 1181Ca -0.07 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 2w18 s PHE 1181Cb -0.15 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2w18 s PHE 1181CO 0.04 0.07 -0.01 0.08 -0.10 0.00 0.00 175.22 175.30 2w18 s VAL 1182N -0.03 3.60 -0.13 -0.44 1.01 -0.09 -0.70 120.40 123.61 2w18 s VAL 1182Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2w18 s VAL 1182Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2w18 s VAL 1182CO 0.03 0.38 -0.00 -0.31 0.00 0.00 0.00 175.10 175.19 2w18 s TYR 1183N 1.51 3.12 0.10 5.22 2.02 0.41 -0.50 117.35 129.23 2w18 s TYR 1183Ca 0.06 -0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 2w18 s TYR 1183Cb -0.15 -1.92 -0.06 0.00 -0.40 0.00 0.00 41.96 39.44 2w18 s TYR 1183CO -0.01 0.19 1.11 -1.58 -1.57 0.00 0.00 175.55 173.69 2w18 s HIS 1184N -0.10 3.55 -0.17 2.71 5.65 0.81 0.03 115.29 127.77 2w18 s HIS 1184Ca 0.04 1.51 -0.06 0.00 0.25 0.00 0.00 55.06 56.80 2w18 s HIS 1184Cb -0.13 -3.30 -0.03 0.00 -1.18 0.00 0.00 32.58 27.94 2w18 s HIS 1184CO 0.02 -0.74 0.01 -0.47 -0.65 0.00 0.00 174.74 172.91 2w18 s TYR 1185N 0.47 3.12 -0.73 3.88 6.14 -0.52 -1.64 117.35 128.07 2w18 s TYR 1185Ca 0.53 -0.16 0.06 0.00 0.64 0.00 0.00 57.07 58.14 2w18 s TYR 1185Cb -0.28 -2.03 0.05 0.00 0.42 0.00 0.00 41.96 40.12 2w18 s TYR 1185CO 0.31 0.01 0.68 0.43 0.64 0.00 0.00 175.55 177.63