#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pso s TYR 909 N 0.00 3.43 -0.29 4.78 5.04 -1.26 -4.97 117.35 124.08 2pso s TYR 909 Ca 0.00 -2.02 0.05 0.00 -2.44 0.00 0.00 57.07 52.66 2pso s TYR 909 Cb 0.00 -2.82 0.18 0.00 0.35 0.00 0.00 41.96 39.67 2pso s TYR 909 CO 0.00 -0.89 0.52 -0.51 -1.34 0.00 0.00 175.55 173.33 2pso s LEU 910 N 1.25 -1.29 -0.30 6.97 1.43 -1.26 -5.13 118.68 120.36 2pso s LEU 910 Ca 0.03 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 2pso s LEU 910 Cb -0.22 1.66 -0.01 0.00 0.03 0.00 0.00 46.19 47.65 2pso s LEU 910 CO -0.02 -0.32 1.55 0.20 0.23 0.00 0.00 176.35 178.00 2pso s ASN 911 N 2.67 6.32 -0.67 2.29 -0.87 -1.26 -4.90 114.94 118.53 2pso s ASN 911 Ca 0.10 1.29 0.04 0.00 -1.57 0.00 0.00 52.86 52.72 2pso s ASN 911 Cb -0.11 -2.53 0.32 0.00 -0.02 0.00 0.00 41.25 38.91 2pso s ASN 911 CO -0.27 -1.36 1.06 1.41 -2.57 0.00 0.00 177.10 175.37 2pso n HIS 912 N 8.77 3.77 0.43 2.20 8.25 -1.26 -4.62 115.22 132.76 2pso n HIS 912 Ca 0.18 -3.78 0.08 0.00 -0.26 0.00 0.00 57.72 53.94 2pso n HIS 912 Cb 0.46 -0.62 0.34 0.00 1.12 0.00 0.00 29.99 31.29 2pso n HIS 912 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2pso n LEU 913 N -0.01 0.18 0.34 2.41 -0.00 -1.26 -3.40 117.00 115.26 2pso n LEU 913 Ca 0.33 0.55 -0.17 0.00 -0.00 0.00 0.00 56.01 56.72 2pso n LEU 913 Cb 0.37 -0.53 -0.09 0.00 -0.00 0.00 0.00 43.42 43.18 2pso n LEU 913 CO 0.39 -0.36 0.63 0.40 -0.00 0.00 0.00 177.39 178.45 2pso h ILE 914 N 0.00 0.37 0.00 1.47 2.04 -1.98 0.67 117.51 120.07 2pso h ILE 914 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2pso h ILE 914 Cb 0.26 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2pso h ILE 914 CO 0.00 0.01 -0.06 -0.61 0.00 0.00 0.00 178.15 177.49 2pso h GLN 915 N -0.89 0.00 0.02 2.37 4.15 -1.95 -0.23 115.11 118.58 2pso h GLN 915 Ca -0.09 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.10 2pso h GLN 915 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2pso h GLN 915 CO 0.14 0.06 -0.98 0.78 -1.93 0.00 0.00 178.83 176.90 2pso h GLY 916 N 0.55 0.40 1.87 2.39 0.00 -1.49 -3.10 103.07 103.69 2pso h GLY 916 Ca -0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 47.33 46.39 2pso h GLY 916 CO 0.01 0.66 -0.88 1.41 0.00 0.00 0.00 176.54 177.74 2pso h LEU 917 N 0.19 0.16 0.19 3.11 3.38 0.20 -1.90 115.31 120.63 2pso h LEU 917 Ca -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2pso h LEU 917 Cb 1.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2pso h LEU 917 CO 0.17 0.96 -0.09 1.56 0.09 0.00 0.00 178.44 181.12 2pso h GLN 918 N 0.06 -0.25 -0.03 1.13 4.20 -1.29 -2.02 115.11 116.92 2pso h GLN 918 Ca -0.03 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2pso h GLN 918 Cb 1.52 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.36 2pso h GLN 918 CO 0.13 0.08 0.15 0.87 -0.67 0.00 0.00 178.83 179.39 2pso h LYS 919 N -0.60 0.00 0.18 1.46 1.57 -1.54 -0.01 116.57 117.63 2pso h LYS 919 Ca -0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 2pso h LYS 919 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2pso h LYS 919 CO 0.04 0.00 -1.59 1.49 -0.57 0.00 0.00 179.45 178.82 2pso h GLU 920 N 0.00 0.39 0.00 3.15 4.81 -1.17 -3.23 114.58 118.53 2pso h GLU 920 Ca 0.01 -0.66 -0.18 0.00 -0.13 0.00 0.00 59.36 58.40 2pso h GLU 920 Cb 0.31 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2pso h GLU 920 CO -0.00 1.29 -0.84 0.00 -0.73 0.00 0.00 179.01 178.73 2pso h ALA 921 N 0.26 0.54 -0.12 2.92 0.00 -0.47 -3.13 119.26 119.25 2pso h ALA 921 Ca -0.28 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 53.76 2pso h ALA 921 Cb 2.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2pso h ALA 921 CO 0.20 1.05 -0.40 0.87 0.00 0.00 0.00 179.25 180.97 2pso h LYS 922 N 0.00 0.27 -0.13 0.00 1.57 -1.20 -2.56 116.57 114.52 2pso h LYS 922 Ca -0.01 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 2pso h LYS 922 Cb 1.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 2pso h LYS 922 CO 0.11 0.63 -0.34 0.93 -0.57 0.00 0.00 179.45 180.22 2pso h GLU 923 N 0.23 0.27 -0.33 3.15 4.39 -1.56 -2.65 114.58 118.08 2pso h GLU 923 Ca 0.02 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 2pso h GLU 923 Cb 0.81 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2pso h GLU 923 CO 0.06 0.58 -0.35 0.87 -1.16 0.00 0.00 179.01 179.01 2pso h LYS 924 N 0.23 0.74 -6.63 2.33 6.56 -1.47 -3.45 116.57 114.88 2pso h LYS 924 Ca 0.03 -0.36 -0.51 0.00 -1.06 0.00 0.00 60.65 58.75 2pso h LYS 924 Cb 0.71 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 2pso h LYS 924 CO 0.05 0.98 0.33 0.12 -2.06 0.00 0.00 179.45 178.87 2pso s PHE 925 N -4.39 3.89 -0.02 -1.35 5.36 -0.98 -4.98 117.98 115.50 2pso s PHE 925 Ca -0.09 1.82 0.03 0.00 -0.96 0.00 0.00 56.93 57.73 2pso s PHE 925 Cb 0.12 -2.99 0.04 0.00 -0.34 0.00 0.00 43.02 39.85 2pso s PHE 925 CO 0.85 0.33 0.98 1.63 -1.46 0.00 0.00 175.22 177.55 2pso n LYS 926 N 2.18 2.42 0.00 10.12 5.02 -1.26 -4.86 118.16 131.78 2pso n LYS 926 Ca -0.00 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 2pso n LYS 926 Cb 0.48 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2pso n LYS 926 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pso n GLY 927 N -0.59 4.77 3.64 0.72 0.00 -1.26 -4.90 105.19 107.56 2pso n GLY 927 Ca 0.02 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 2pso n GLY 927 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pso s TRP 928 N 2.04 3.31 -0.35 1.61 0.52 -1.26 -4.54 118.94 120.27 2pso s TRP 928 Ca 0.00 0.82 -0.15 0.00 0.02 0.00 0.00 56.10 56.79 2pso s TRP 928 Cb 0.00 -2.80 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 2pso s TRP 928 CO 0.00 -0.26 0.35 0.08 0.02 0.00 0.00 176.95 177.14 2pso s VAL 929 N 2.26 5.18 0.61 4.03 1.01 0.74 -4.87 120.40 129.36 2pso s VAL 929 Ca 0.26 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 2pso s VAL 929 Cb -0.16 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2pso s VAL 929 CO 0.09 -0.13 1.07 0.42 0.00 0.00 0.00 175.10 176.55 2pso s THR 930 N 1.98 3.64 0.24 3.92 -4.23 -1.26 -0.79 115.64 119.14 2pso s THR 930 Ca 0.11 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.45 2pso s THR 930 Cb -0.17 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 2pso s THR 930 CO 0.12 -0.45 -0.02 0.00 -0.54 0.00 0.00 174.62 173.72 2pso s SER 932 N -3.34 7.43 -0.09 0.00 0.15 -1.26 -4.49 113.70 112.10 2pso s SER 932 Ca 0.28 2.11 -0.09 0.00 0.70 0.00 0.00 55.95 58.95 2pso s SER 932 Cb 0.05 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2pso s SER 932 CO 0.09 -0.01 0.25 -0.55 1.20 0.00 0.00 173.24 174.22 2pso s SER 933 N -1.05 -0.26 0.53 5.45 0.15 -1.26 -4.92 113.70 112.34 2pso s SER 933 Ca 0.43 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.59 2pso s SER 933 Cb -0.29 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2pso s SER 933 CO 0.36 -0.11 0.74 0.42 1.20 0.00 0.00 173.24 175.85 2pso s THR 934 N 0.06 2.73 -1.27 6.45 -4.23 -1.26 -4.59 115.64 113.52 2pso s THR 934 Ca -0.01 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.75 2pso s THR 934 Cb -0.02 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2pso s THR 934 CO 0.00 0.00 0.97 -0.67 -0.54 0.00 0.00 174.62 174.39 2pso n ASP 935 N -2.25 -2.79 -3.66 3.99 2.03 -1.26 -3.15 116.55 109.46 2pso n ASP 935 Ca 0.08 -0.66 -0.22 0.00 0.52 0.00 0.00 54.79 54.51 2pso n ASP 935 Cb 0.60 -4.82 0.05 0.00 -0.72 0.00 0.00 41.12 36.22 2pso n ASP 935 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pso n ASN 936 N -3.08 -2.75 -4.39 1.67 2.85 -1.26 -4.97 115.26 103.33 2pso n ASN 936 Ca -0.22 -0.72 -0.27 0.00 -0.11 0.00 0.00 54.58 53.26 2pso n ASN 936 Cb 0.64 -4.43 -0.12 0.00 1.24 0.00 0.00 39.78 37.11 2pso n ASN 936 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2pso s THR 937 N -3.48 2.21 -0.37 -0.44 -4.23 -1.19 -4.79 115.64 103.35 2pso s THR 937 Ca 0.20 -1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 58.69 2pso s THR 937 Cb -0.10 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.74 2pso s THR 937 CO 0.78 -0.07 0.25 -1.81 -0.54 0.00 0.00 174.62 173.24 2pso s ASP 938 N -2.42 5.98 0.14 3.99 1.11 -1.13 -4.65 116.67 119.70 2pso s ASP 938 Ca 0.17 -0.73 0.04 0.00 0.18 0.00 0.00 52.55 52.22 2pso s ASP 938 Cb -0.08 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 2pso s ASP 938 CO 0.08 -0.35 0.12 -0.22 1.18 0.00 0.00 175.17 175.98 2pso s LEU 939 N 1.67 3.80 0.01 1.23 2.96 -1.26 -0.86 118.68 126.23 2pso s LEU 939 Ca 0.05 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.59 2pso s LEU 939 Cb -0.18 -2.44 0.10 0.00 0.50 0.00 0.00 46.19 44.17 2pso s LEU 939 CO 0.09 0.10 0.83 0.00 -1.32 0.00 0.00 176.35 176.05 2pso s ALA 940 N -1.63 -1.78 0.34 5.97 0.00 -0.84 -1.97 121.76 121.85 2pso s ALA 940 Ca 0.30 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.29 2pso s ALA 940 Cb -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2pso s ALA 940 CO 0.23 -0.65 0.20 1.97 0.00 0.00 0.00 175.76 177.50 2pso n PHE 941 N -0.13 -0.32 -3.64 0.00 1.16 0.03 -1.80 117.46 112.76 2pso n PHE 941 Ca -0.11 -2.48 -0.10 0.00 -1.87 0.00 0.00 57.45 52.89 2pso n PHE 941 Cb 0.62 0.14 -0.07 0.00 -1.61 0.00 0.00 39.48 38.56 2pso n PHE 941 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2pso s LYS 942 N -3.32 0.75 0.06 3.97 2.20 -0.80 -0.18 119.74 122.41 2pso s LYS 942 Ca 0.28 1.08 -0.25 0.00 -0.36 0.00 0.00 55.97 56.73 2pso s LYS 942 Cb 0.01 0.26 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 2pso s LYS 942 CO 0.20 -0.12 0.75 -1.59 -0.36 0.00 0.00 175.35 174.23 2pso s LYS 943 N 1.00 4.49 0.21 4.03 0.00 -1.26 -1.67 119.74 126.54 2pso s LYS 943 Ca -0.05 1.05 0.17 0.00 0.00 0.00 0.00 55.97 57.14 2pso s LYS 943 Cb -0.05 -3.35 0.01 0.00 0.00 0.00 0.00 37.83 34.44 2pso s LYS 943 CO -0.10 0.33 1.21 0.28 0.00 0.00 0.00 175.35 177.07 2pso h VAL 944 N 4.02 0.62 -0.27 1.79 2.07 -1.87 -3.47 116.25 119.14 2pso h VAL 944 Ca -0.44 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2pso h VAL 944 Cb 1.21 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2pso h VAL 944 CO 0.70 0.35 -0.01 0.61 0.02 0.00 0.00 177.57 179.24 2pso n GLY 945 N 1.27 0.45 0.15 2.17 0.00 -1.26 -4.97 105.19 103.00 2pso n GLY 945 Ca -0.02 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 2pso n GLY 945 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pso h ASP 946 N -0.01 0.80 0.00 1.61 3.58 -1.96 -3.46 116.42 116.97 2pso h ASP 946 Ca -0.01 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.54 2pso h ASP 946 Cb 1.01 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2pso h ASP 946 CO 0.02 1.63 0.00 0.61 -2.88 0.00 0.00 179.24 178.62 2pso n GLY 947 N 1.61 0.95 2.83 -0.78 0.00 -1.26 -5.10 105.19 103.45 2pso n GLY 947 Ca -0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2pso n GLY 947 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pso s ASN 948 N -2.06 1.08 0.54 1.61 3.84 -1.26 -5.04 114.94 113.65 2pso s ASN 948 Ca 0.00 -0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.20 2pso s ASN 948 Cb 0.00 -0.40 1.47 0.00 -0.55 0.00 0.00 41.25 41.77 2pso s ASN 948 CO 0.00 -0.12 2.17 1.55 -2.79 0.00 0.00 177.10 177.92 2pso h PRO 949 N 7.62 0.00 -6.70 0.43 0.13 -2.03 -3.45 132.00 128.00 2pso h PRO 949 Ca -0.32 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.29 2pso h PRO 949 Cb 1.14 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.33 2pso h PRO 949 CO 0.39 0.03 0.96 -0.51 -0.23 0.00 0.00 178.00 178.64 2pso s LEU 950 N -8.36 4.36 0.45 1.56 1.43 -1.26 -4.98 118.68 111.87 2pso s LEU 950 Ca -0.05 2.88 -0.10 0.00 -1.03 0.00 0.00 54.13 55.84 2pso s LEU 950 Cb 0.16 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 2pso s LEU 950 CO 0.62 -0.95 0.81 -0.54 0.23 0.00 0.00 176.35 176.52 2pso s LYS 951 N 0.62 3.72 -0.26 1.70 1.02 -1.26 -4.71 119.74 120.56 2pso s LYS 951 Ca 0.71 0.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.04 2pso s LYS 951 Cb -0.49 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2pso s LYS 951 CO 0.37 -0.14 0.27 -1.17 -0.92 0.00 0.00 175.35 173.76 2pso s LEU 952 N -4.18 4.05 0.30 3.17 2.96 -0.67 -4.63 118.68 119.68 2pso s LEU 952 Ca 0.51 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.64 2pso s LEU 952 Cb -0.10 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2pso s LEU 952 CO 0.36 -0.08 0.34 0.26 -1.32 0.00 0.00 176.35 175.91 2pso s TRP 953 N 1.74 3.11 -0.23 5.38 0.52 0.48 -1.90 118.94 128.03 2pso s TRP 953 Ca 0.11 -0.19 -0.03 0.00 0.02 0.00 0.00 56.10 56.01 2pso s TRP 953 Cb -0.15 -1.73 0.12 0.00 -1.15 0.00 0.00 33.47 30.55 2pso s TRP 953 CO 0.09 0.24 0.30 0.21 0.02 0.00 0.00 176.95 177.82 2pso s LYS 954 N -4.01 0.28 0.10 4.98 2.20 -0.75 -1.42 119.74 121.12 2pso s LYS 954 Ca 0.39 0.29 0.07 0.00 -0.36 0.00 0.00 55.97 56.36 2pso s LYS 954 Cb -0.08 -0.82 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 2pso s LYS 954 CO 0.28 -0.71 -0.11 0.00 -0.36 0.00 0.00 175.35 174.46 2pso s ALA 955 N 2.43 2.93 0.13 3.13 0.00 -0.83 -1.98 121.76 127.57 2pso s ALA 955 Ca 0.10 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2pso s ALA 955 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2pso s ALA 955 CO -0.17 0.64 -0.09 -1.12 0.00 0.00 0.00 175.76 175.02 2pso s SER 956 N -2.14 1.57 0.17 0.00 0.01 -0.04 -1.27 113.70 112.00 2pso s SER 956 Ca 0.21 -0.98 -0.19 0.00 1.31 0.00 0.00 55.95 56.30 2pso s SER 956 Cb -0.11 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.18 2pso s SER 956 CO 0.13 -0.36 0.52 0.68 0.41 0.00 0.00 173.24 174.62 2pso s VAL 957 N -3.27 0.03 -0.22 3.43 -7.23 -0.88 -2.83 120.40 109.43 2pso s VAL 957 Ca 0.14 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 2pso s VAL 957 Cb 0.02 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 2pso s VAL 957 CO -0.01 -0.14 0.20 -0.70 -0.31 0.00 0.00 175.10 174.15 2pso s GLU 958 N -3.82 4.13 -0.04 4.82 2.12 -1.26 -0.77 118.70 123.88 2pso s GLU 958 Ca 0.05 -0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.29 2pso s GLU 958 Cb -0.00 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 2pso s GLU 958 CO -0.08 0.11 -0.24 0.54 -0.54 0.00 0.00 175.26 175.05 2pso s VAL 959 N 0.89 2.16 -1.24 3.70 0.11 0.22 -4.96 120.40 121.29 2pso s VAL 959 Ca 0.10 -1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.00 2pso s VAL 959 Cb -0.13 -1.77 -0.07 0.00 -1.53 0.00 0.00 36.38 32.88 2pso s VAL 959 CO 0.04 0.58 2.44 -0.62 -3.33 0.00 0.00 175.10 174.20 2pso n GLU 960 N 2.69 2.75 -3.59 1.54 -0.58 -1.26 -0.55 120.64 121.63 2pso n GLU 960 Ca -0.17 -1.92 -0.11 0.00 -0.42 0.00 0.00 57.16 54.54 2pso n GLU 960 Cb 0.52 -2.73 -0.06 0.00 -0.57 0.00 0.00 31.44 28.59 2pso n GLU 960 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pso s ALA 961 N 3.07 -1.93 0.79 0.62 0.00 -1.18 -4.95 121.76 118.18 2pso s ALA 961 Ca 0.54 1.65 -0.11 0.00 0.00 0.00 0.00 51.96 54.04 2pso s ALA 961 Cb 0.14 -0.87 0.07 0.00 0.00 0.00 0.00 23.12 22.46 2pso s ALA 961 CO -0.03 -0.29 1.11 -1.25 0.00 0.00 0.00 175.76 175.30 2pso s PRO 962 N -0.72 2.02 0.08 0.00 0.04 -1.11 -2.47 135.00 132.85 2pso s PRO 962 Ca -0.01 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 2pso s PRO 962 Cb -0.02 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 2pso s PRO 962 CO -0.00 -1.84 1.42 -1.35 0.04 0.00 0.00 177.00 175.27 2pso h PRO 963 N -1.10 -0.56 -0.77 0.56 0.11 -1.87 -2.31 132.00 126.06 2pso h PRO 963 Ca -0.44 0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.87 2pso h PRO 963 Cb 1.25 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.43 2pso h PRO 963 CO 0.49 -0.38 0.51 0.66 -0.21 0.00 0.00 178.00 179.08 2pso h SER 964 N -0.59 0.35 0.99 -2.05 4.64 -1.93 0.73 113.55 115.70 2pso h SER 964 Ca -0.01 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2pso h SER 964 Cb 0.58 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2pso h SER 964 CO -0.21 0.18 -0.49 0.58 -0.87 0.00 0.00 176.83 176.01 2pso h VAL 965 N 0.37 0.00 -1.16 0.95 2.07 -1.84 -2.06 116.25 114.58 2pso h VAL 965 Ca 0.38 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.24 2pso h VAL 965 Cb 0.94 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2pso h VAL 965 CO -0.12 0.00 0.74 0.58 0.02 0.00 0.00 177.57 178.80 2pso h VAL 966 N -1.35 0.34 -0.40 2.57 2.07 -0.60 0.16 116.25 119.04 2pso h VAL 966 Ca -0.14 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2pso h VAL 966 Cb 1.04 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2pso h VAL 966 CO 0.21 0.05 -0.03 0.25 0.02 0.00 0.00 177.57 178.07 2pso h LEU 967 N 0.25 0.71 -1.06 2.57 7.12 -0.76 -1.35 115.31 122.79 2pso h LEU 967 Ca 0.70 -0.33 -0.09 0.00 0.13 0.00 0.00 57.88 58.28 2pso h LEU 967 Cb 1.98 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.90 2pso h LEU 967 CO -0.36 0.87 -0.37 -1.13 -0.13 0.00 0.00 178.44 177.32 2pso h ASN 968 N 0.54 0.19 -0.26 1.25 -1.24 -0.06 0.20 115.58 116.20 2pso h ASN 968 Ca 0.11 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 2pso h ASN 968 Cb 0.53 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2pso h ASN 968 CO 0.03 0.55 -0.06 -0.09 -1.29 0.00 0.00 177.43 176.57 2pso h ARG 969 N 0.16 0.62 0.15 6.67 9.65 -0.46 0.18 114.38 131.34 2pso h ARG 969 Ca 0.02 -0.17 -0.29 0.00 -1.10 0.00 0.00 59.98 58.44 2pso h ARG 969 Cb 0.73 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2pso h ARG 969 CO 0.06 0.69 -1.33 0.28 2.80 0.00 0.00 179.97 182.46 2pso h VAL 970 N 0.58 1.40 0.08 0.20 2.07 -0.47 -3.11 116.25 117.01 2pso h VAL 970 Ca 0.11 -2.96 -0.11 0.00 0.82 0.00 0.00 66.70 64.55 2pso h VAL 970 Cb 0.46 2.93 0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2pso h VAL 970 CO 0.02 0.87 -0.51 0.25 0.02 0.00 0.00 177.57 178.22 2pso h LEU 971 N 0.08 0.26 -2.19 2.57 6.46 -0.16 -3.40 115.31 118.94 2pso h LEU 971 Ca -0.17 -0.96 0.00 0.00 -0.12 0.00 0.00 57.88 56.63 2pso h LEU 971 Cb 2.01 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 2pso h LEU 971 CO 0.21 1.24 0.00 0.54 -0.62 0.00 0.00 178.44 179.81 2pso n ARG 972 N -4.32 1.42 -1.83 1.25 5.12 0.58 -4.83 116.66 114.05 2pso n ARG 972 Ca -0.13 -1.16 -0.00 0.00 -1.93 0.00 0.00 57.85 54.62 2pso n ARG 972 Cb 0.68 -1.03 0.06 0.00 -1.16 0.00 0.00 32.46 31.01 2pso n ARG 972 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2pso n GLU 973 N -0.19 1.25 0.03 5.56 1.02 -1.15 -4.84 120.64 122.32 2pso n GLU 973 Ca 0.01 -2.95 0.13 0.00 -0.02 0.00 0.00 57.16 54.33 2pso n GLU 973 Cb 0.17 -1.05 0.50 0.00 -0.02 0.00 0.00 31.44 31.04 2pso n GLU 973 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2pso n ARG 974 N -0.26 0.08 0.25 3.49 0.63 -1.24 -1.53 116.66 118.09 2pso n ARG 974 Ca 0.13 0.06 0.13 0.00 -0.92 0.00 0.00 57.85 57.25 2pso n ARG 974 Cb 0.94 -1.58 0.60 0.00 0.45 0.00 0.00 32.46 32.87 2pso n ARG 974 CO 0.00 0.00 0.00 1.12 -2.51 0.00 0.00 177.63 176.24 2pso h HIS 975 N 0.00 0.00 0.00 -0.14 2.07 -1.88 -1.52 115.15 113.68 2pso h HIS 975 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2pso h HIS 975 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2pso h HIS 975 CO 0.00 0.14 0.00 1.28 -3.07 0.00 0.00 177.93 176.28 2pso n LEU 976 N -3.35 0.00 0.00 6.12 4.32 -0.58 -4.20 117.00 119.31 2pso n LEU 976 Ca -0.00 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2pso n LEU 976 Cb 0.35 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2pso n LEU 976 CO 0.31 -0.00 0.12 -2.67 -1.22 0.00 0.00 177.39 173.92 2pso n TRP 977 N -1.07 0.00 -3.52 -1.77 4.27 -0.71 -4.81 117.44 109.83 2pso n TRP 977 Ca 0.21 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.61 2pso n TRP 977 Cb 0.13 0.03 -0.14 0.00 -1.36 0.00 0.00 31.31 29.98 2pso n TRP 977 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2pso s ASP 978 N 0.00 1.85 0.19 -0.67 -1.08 -0.65 -4.66 116.67 111.64 2pso s ASP 978 Ca 0.00 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 51.80 2pso s ASP 978 Cb 0.00 0.15 0.91 0.00 -1.46 0.00 0.00 42.92 42.52 2pso s ASP 978 CO 0.00 -0.35 1.71 -1.84 0.52 0.00 0.00 175.17 175.21 2pso n GLU 979 N 5.30 0.17 0.05 4.34 0.28 -1.26 -2.96 120.64 126.56 2pso n GLU 979 Ca -0.06 0.32 0.11 0.00 -0.16 0.00 0.00 57.16 57.37 2pso n GLU 979 Cb 0.49 -1.78 -0.02 0.00 1.43 0.00 0.00 31.44 31.56 2pso n GLU 979 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2pso n ASP 980 N -2.09 0.58 -4.55 -1.84 8.00 -1.26 -4.85 116.55 110.53 2pso n ASP 980 Ca 0.04 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.21 2pso n ASP 980 Cb 0.28 0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 2pso n ASP 980 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2pso s PHE 981 N -3.31 1.29 -0.02 1.24 5.36 -1.15 -1.56 117.98 119.83 2pso s PHE 981 Ca 0.00 1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 2pso s PHE 981 Cb 0.13 -3.75 -0.01 0.00 -0.34 0.00 0.00 43.02 39.05 2pso s PHE 981 CO 0.82 -2.33 -0.04 0.28 -1.46 0.00 0.00 175.22 172.49 2pso n VAL 982 N 7.82 0.16 -3.76 3.12 0.31 0.03 -4.88 118.33 121.13 2pso n VAL 982 Ca 0.33 0.45 -0.36 0.00 -0.01 0.00 0.00 64.34 64.74 2pso n VAL 982 Cb 0.53 -1.58 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 2pso n VAL 982 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2pso s GLN 983 N -1.20 3.80 0.01 5.55 -0.21 -1.25 -4.89 119.66 121.47 2pso s GLN 983 Ca -0.03 -0.41 0.03 0.00 0.02 0.00 0.00 55.36 54.98 2pso s GLN 983 Cb 0.00 -3.39 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 2pso s GLN 983 CO 0.05 -0.09 -0.11 1.67 -2.12 0.00 0.00 175.29 174.69 2pso s TRP 984 N 1.40 0.95 -0.24 0.91 -2.14 -1.26 -2.49 118.94 116.07 2pso s TRP 984 Ca 0.06 -0.26 -0.18 0.00 2.66 0.00 0.00 56.10 58.37 2pso s TRP 984 Cb -0.15 -0.58 0.07 0.00 -3.10 0.00 0.00 33.47 29.70 2pso s TRP 984 CO 0.05 -0.01 0.61 0.15 -2.66 0.00 0.00 176.95 175.10 2pso s LYS 985 N -0.69 0.68 0.14 3.25 -0.14 -0.81 -5.01 119.74 117.15 2pso s LYS 985 Ca 0.01 0.96 -0.31 0.00 -1.36 0.00 0.00 55.97 55.27 2pso s LYS 985 Cb -0.06 0.24 -0.09 0.00 -1.68 0.00 0.00 37.83 36.25 2pso s LYS 985 CO 0.00 -0.11 1.42 0.08 -0.76 0.00 0.00 175.35 175.98 2pso s VAL 986 N 0.85 3.13 -0.18 3.17 1.01 -1.26 -1.42 120.40 125.69 2pso s VAL 986 Ca -0.04 0.82 0.13 0.00 0.00 0.00 0.00 61.98 62.89 2pso s VAL 986 Cb -0.05 -3.53 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 2pso s VAL 986 CO -0.07 0.07 0.01 0.52 0.00 0.00 0.00 175.10 175.63 2pso n VAL 987 N 3.81 1.22 -3.60 2.92 0.31 0.27 -4.96 118.33 118.29 2pso n VAL 987 Ca 0.11 -0.69 -0.16 0.00 -0.01 0.00 0.00 64.34 63.59 2pso n VAL 987 Cb 0.41 -0.69 -0.07 0.00 -0.91 0.00 0.00 33.84 32.58 2pso n VAL 987 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2pso s GLU 988 N -2.43 0.89 -0.20 5.55 2.12 -1.20 -4.98 118.70 118.45 2pso s GLU 988 Ca -0.13 0.42 -0.05 0.00 0.36 0.00 0.00 54.97 55.56 2pso s GLU 988 Cb 0.06 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.84 2pso s GLU 988 CO 0.68 -0.22 0.01 0.99 -0.54 0.00 0.00 175.26 176.17 2pso s THR 989 N -0.66 4.04 -0.20 -1.70 2.01 -1.26 -1.29 115.64 116.57 2pso s THR 989 Ca -0.07 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2pso s THR 989 Cb -0.02 -2.83 -0.20 0.00 0.01 0.00 0.00 72.50 69.46 2pso s THR 989 CO 0.06 0.43 0.02 0.18 -0.69 0.00 0.00 174.62 174.62 2pso n LEU 990 N 4.21 2.72 0.00 4.42 4.77 -0.62 -5.00 117.00 127.49 2pso n LEU 990 Ca -0.17 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.86 2pso n LEU 990 Cb 0.52 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2pso n LEU 990 CO 0.32 0.85 0.06 -0.90 -1.33 0.00 0.00 177.39 176.38 2pso n ASP 991 N -3.48 -0.27 -0.35 -1.43 5.68 -0.99 -4.98 116.55 110.73 2pso n ASP 991 Ca -0.40 -1.23 0.12 0.00 -0.50 0.00 0.00 54.79 52.77 2pso n ASP 991 Cb 0.99 0.47 0.31 0.00 -1.14 0.00 0.00 41.12 41.75 2pso n ASP 991 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2pso h ARG 992 N 0.00 0.77 -0.01 0.11 0.11 -2.02 -2.88 114.38 110.45 2pso h ARG 992 Ca -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2pso h ARG 992 Cb 0.17 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2pso h ARG 992 CO 0.06 0.51 0.00 1.04 0.10 0.00 0.00 179.97 181.68 2pso n GLN 993 N -4.74 1.40 -4.02 0.08 6.02 -1.26 -4.99 117.38 109.87 2pso n GLN 993 Ca 0.23 -2.58 -0.13 0.00 -0.01 0.00 0.00 57.00 54.51 2pso n GLN 993 Cb 0.54 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 30.16 2pso n GLN 993 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2pso s THR 994 N -2.85 0.27 0.22 5.09 -4.23 -1.09 -1.53 115.64 111.52 2pso s THR 994 Ca 0.32 -0.52 -0.18 0.00 -1.18 0.00 0.00 61.69 60.12 2pso s THR 994 Cb 0.28 -0.31 0.03 0.00 1.34 0.00 0.00 72.50 73.84 2pso s THR 994 CO 0.03 -0.17 0.57 -1.83 -0.54 0.00 0.00 174.62 172.69 2pso s GLU 995 N -0.74 1.48 -0.30 3.99 -1.05 -0.08 -1.58 118.70 120.42 2pso s GLU 995 Ca -0.05 -0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 53.80 2pso s GLU 995 Cb -0.05 0.54 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2pso s GLU 995 CO -0.00 -0.64 0.12 0.42 0.95 0.00 0.00 175.26 176.11 2pso s ILE 996 N -3.88 4.40 0.06 1.83 1.01 -0.41 -0.73 121.20 123.47 2pso s ILE 996 Ca 0.10 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.38 2pso s ILE 996 Cb -0.02 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2pso s ILE 996 CO -0.01 0.12 -0.18 -0.47 0.00 0.00 0.00 174.94 174.41 2pso s TYR 997 N 1.59 2.56 -0.05 3.97 5.04 0.39 0.95 117.35 131.79 2pso s TYR 997 Ca 0.04 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2pso s TYR 997 Cb -0.17 -1.44 0.03 0.00 0.35 0.00 0.00 41.96 40.73 2pso s TYR 997 CO 0.05 0.29 -0.00 -1.14 -1.34 0.00 0.00 175.55 173.40 2pso s GLN 998 N -1.60 0.50 0.23 4.97 0.74 -0.51 -0.66 119.66 123.34 2pso s GLN 998 Ca 0.15 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.67 2pso s GLN 998 Cb -0.11 -0.79 -0.05 0.00 1.10 0.00 0.00 33.01 33.17 2pso s GLN 998 CO 0.06 -0.23 0.08 1.52 -0.55 0.00 0.00 175.29 176.18 2pso s TYR 999 N 1.59 1.40 -0.03 1.67 -0.85 -0.76 -1.93 117.35 118.44 2pso s TYR 999 Ca -0.01 -1.19 0.06 0.00 -0.52 0.00 0.00 57.07 55.42 2pso s TYR 999 Cb -0.13 -0.79 -0.01 0.00 0.38 0.00 0.00 41.96 41.40 2pso s TYR 999 CO -0.03 -0.37 -0.22 0.08 -1.52 0.00 0.00 175.55 173.49 2pso s VAL 1000N -3.81 1.74 -0.16 -3.49 1.01 -1.04 -0.97 120.40 113.68 2pso s VAL 1000Ca 0.35 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2pso s VAL 1000Cb 0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2pso s VAL 1000CO 0.11 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.89 2pso s LEU 1001N -0.40 3.05 0.49 3.92 1.43 0.45 -0.79 118.68 126.82 2pso s LEU 1001Ca 0.05 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 2pso s LEU 1001Cb -0.10 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2pso s LEU 1001CO 0.00 0.13 0.98 0.20 0.23 0.00 0.00 176.35 177.89 2pso s ASN 1002N 0.60 6.67 0.10 2.29 0.02 -0.60 -1.49 114.94 122.52 2pso s ASN 1002Ca -0.04 1.65 0.05 0.00 -1.02 0.00 0.00 52.86 53.50 2pso s ASN 1002Cb -0.15 -2.52 -0.04 0.00 0.02 0.00 0.00 41.25 38.56 2pso s ASN 1002CO 0.03 -0.55 0.02 -0.44 0.02 0.00 0.00 177.10 176.18 2pso s SER 1003N -2.67 5.14 0.00 -1.22 0.01 -1.26 -4.86 113.70 108.84 2pso s SER 1003Ca 0.61 -0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.65 2pso s SER 1003Cb -0.10 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 2pso s SER 1003CO 0.24 0.16 0.83 -0.03 0.41 0.00 0.00 173.24 174.86 2pso h MET 1004N 3.32 -0.24 -7.42 12.44 4.05 -1.94 -3.44 114.93 121.71 2pso h MET 1004Ca -0.47 0.02 -0.44 0.00 -0.28 0.00 0.00 59.70 58.52 2pso h MET 1004Cb 1.17 0.05 0.16 0.00 -0.80 0.00 0.00 31.60 32.19 2pso h MET 1004CO 0.61 -0.16 0.21 0.00 0.23 0.00 0.00 176.91 177.80 2pso s ALA 1005N -3.51 1.04 0.00 0.39 0.00 -1.26 -4.82 121.76 113.61 2pso s ALA 1005Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2pso s ALA 1005Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2pso s ALA 1005CO 0.11 -2.95 0.77 -2.30 0.00 0.00 0.00 175.76 171.39 2pso n PRO 1006N -4.26 0.00 -2.78 0.00 -0.02 -1.26 -4.80 135.00 121.87 2pso n PRO 1006Ca 0.08 -0.32 -0.21 0.00 -2.02 0.00 0.00 63.50 61.03 2pso n PRO 1006Cb 0.58 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2pso n PRO 1006CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pso s HIS 1007N 4.06 1.77 0.58 6.00 3.76 -1.26 -5.12 115.29 125.08 2pso s HIS 1007Ca 0.00 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 2pso s HIS 1007Cb 0.00 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 31.06 2pso s HIS 1007CO 0.00 -1.31 0.87 -1.25 -0.85 0.00 0.00 174.74 172.20 2pso s PRO 1008N -4.87 2.85 0.37 8.40 0.05 -1.26 -4.86 135.00 135.69 2pso s PRO 1008Ca 0.63 -0.14 -0.25 0.00 0.05 0.00 0.00 61.00 61.29 2pso s PRO 1008Cb -0.06 -2.32 -0.09 0.00 0.05 0.00 0.00 34.50 32.08 2pso s PRO 1008CO 0.41 -0.69 1.04 -1.54 0.05 0.00 0.00 177.00 176.27 2pso s SER 1009N -4.32 6.90 -0.13 6.66 1.04 -1.26 -4.53 113.70 118.06 2pso s SER 1009Ca 0.54 2.05 -0.24 0.00 0.48 0.00 0.00 55.95 58.78 2pso s SER 1009Cb -0.10 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2pso s SER 1009CO 0.44 -0.39 0.75 0.00 0.98 0.00 0.00 173.24 175.02 2pso s ARG 1010N -2.29 4.34 0.09 4.02 3.03 -0.56 -0.14 118.95 127.44 2pso s ARG 1010Ca 0.55 0.91 0.08 0.00 2.03 0.00 0.00 55.73 59.30 2pso s ARG 1010Cb -0.23 -3.53 -0.04 0.00 -1.03 0.00 0.00 34.95 30.13 2pso s ARG 1010CO 0.29 -0.16 -0.19 -0.51 -1.13 0.00 0.00 175.30 173.60 2pso s ASP 1011N 1.03 3.80 0.00 -2.89 1.01 -0.48 -0.41 116.67 118.74 2pso s ASP 1011Ca 0.37 -0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.12 2pso s ASP 1011Cb -0.17 -0.55 -0.01 0.00 1.01 0.00 0.00 42.92 43.21 2pso s ASP 1011CO 0.15 0.21 -0.03 -0.36 0.21 0.00 0.00 175.17 175.34 2pso s PHE 1012N -1.05 0.27 -0.15 4.23 0.40 -0.15 -0.68 117.98 120.86 2pso s PHE 1012Ca 0.16 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.31 2pso s PHE 1012Cb -0.10 -0.18 0.07 0.00 0.51 0.00 0.00 43.02 43.32 2pso s PHE 1012CO 0.08 -0.03 0.29 0.08 0.70 0.00 0.00 175.22 176.34 2pso s VAL 1013N -0.34 -0.45 0.01 -0.44 1.01 -1.26 -1.83 120.40 117.10 2pso s VAL 1013Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2pso s VAL 1013Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2pso s VAL 1013CO -0.00 0.07 -0.01 -0.69 0.00 0.00 0.00 175.10 174.47 2pso s VAL 1014N 2.45 0.04 -0.30 2.92 1.01 0.17 -0.85 120.40 125.84 2pso s VAL 1014Ca 0.02 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2pso s VAL 1014Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2pso s VAL 1014CO -0.10 -0.20 0.81 -0.22 0.00 0.00 0.00 175.10 175.40 2pso s LEU 1015N -0.57 4.08 0.04 3.92 2.96 0.12 -0.46 118.68 128.77 2pso s LEU 1015Ca -0.06 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 2pso s LEU 1015Cb -0.04 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 2pso s LEU 1015CO -0.00 -0.63 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.05 2pso s ARG 1016N 3.00 1.96 0.06 1.98 0.52 0.09 -2.16 118.95 124.40 2pso s ARG 1016Ca 0.34 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2pso s ARG 1016Cb -0.14 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 2pso s ARG 1016CO 0.12 0.53 -0.07 -0.08 0.02 0.00 0.00 175.30 175.82 2pso s THR 1017N -0.87 0.58 0.10 0.02 -1.32 -0.49 -0.90 115.64 112.76 2pso s THR 1017Ca 0.13 -1.33 -0.02 0.00 -1.21 0.00 0.00 61.69 59.26 2pso s THR 1017Cb -0.10 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2pso s THR 1017CO 0.04 -0.53 0.04 -1.66 -2.21 0.00 0.00 174.62 170.30 2pso s TRP 1018N -2.05 0.70 -0.18 9.09 -2.14 -0.58 -1.21 118.94 122.58 2pso s TRP 1018Ca -0.04 -1.14 -0.08 0.00 2.66 0.00 0.00 56.10 57.51 2pso s TRP 1018Cb -0.05 -0.42 0.07 0.00 -3.10 0.00 0.00 33.47 29.97 2pso s TRP 1018CO -0.01 -0.48 0.40 0.21 -2.66 0.00 0.00 176.95 174.41 2pso s LYS 1019N -3.99 0.33 0.00 3.25 2.47 -0.29 -4.86 119.74 116.65 2pso s LYS 1019Ca 0.17 0.89 0.02 0.00 -1.56 0.00 0.00 55.97 55.49 2pso s LYS 1019Cb 0.07 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.58 2pso s LYS 1019CO -0.03 -0.21 0.36 0.25 0.16 0.00 0.00 175.35 175.88 2pso n THR 1020N 4.87 0.00 -1.80 3.43 -2.24 -1.26 -1.54 114.28 115.73 2pso n THR 1020Ca -0.15 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 2pso n THR 1020Cb 0.52 1.03 0.04 0.00 -2.10 0.00 0.00 70.33 69.82 2pso n THR 1020CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2pso n ASP 1021N -0.37 6.07 -4.90 3.42 5.75 -1.26 -4.80 116.55 120.46 2pso n ASP 1021Ca 0.01 -3.77 -0.28 0.00 -0.01 0.00 0.00 54.79 50.74 2pso n ASP 1021Cb 0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2pso n ASP 1021CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2pso s LEU 1022N -3.71 3.51 0.75 -2.12 1.43 -1.22 -5.03 118.68 112.30 2pso s LEU 1022Ca 0.56 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 2pso s LEU 1022Cb 0.45 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.65 2pso s LEU 1022CO -0.02 -0.66 1.07 -0.81 0.23 0.00 0.00 176.35 176.15 2pso n PRO 1023N -2.40 0.43 -2.84 1.29 -0.04 -1.26 -3.47 135.00 126.71 2pso n PRO 1023Ca 0.02 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 2pso n PRO 1023Cb 0.55 -2.32 0.02 0.00 -0.04 0.00 0.00 33.50 31.71 2pso n PRO 1023CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pso n LYS 1024N -2.36 -4.00 -1.14 0.54 4.01 -1.26 -2.84 118.16 111.12 2pso n LYS 1024Ca 0.13 0.94 -0.05 0.00 -0.51 0.00 0.00 58.31 58.82 2pso n LYS 1024Cb 0.50 -5.74 -0.02 0.00 -0.51 0.00 0.00 35.03 29.26 2pso n LYS 1024CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pso n GLY 1025N -1.39 0.66 3.76 0.72 0.00 -1.23 -4.52 105.19 103.20 2pso n GLY 1025Ca -0.15 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2pso n GLY 1025CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pso s MET 1026N -1.86 4.52 0.18 1.61 1.00 -1.13 -4.40 119.30 119.22 2pso s MET 1026Ca 0.00 1.81 0.08 0.00 0.00 0.00 0.00 55.69 57.58 2pso s MET 1026Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 34.83 31.71 2pso s MET 1026CO 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 175.02 174.96 2pso s THR 1028N -2.42 0.01 -0.10 0.00 -4.23 -0.59 -0.85 115.64 107.46 2pso s THR 1028Ca 0.18 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 2pso s THR 1028Cb -0.04 -0.21 0.01 0.00 1.34 0.00 0.00 72.50 73.60 2pso s THR 1028CO 0.07 -0.02 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.72 2pso s LEU 1029N -0.02 1.87 0.03 4.79 2.96 -0.41 -1.13 118.68 126.77 2pso s LEU 1029Ca -0.01 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2pso s LEU 1029Cb -0.01 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2pso s LEU 1029CO 0.00 0.08 -0.18 0.68 -1.32 0.00 0.00 176.35 175.62 2pso s VAL 1030N 0.64 1.40 0.04 1.68 -7.23 -0.35 -0.11 120.40 116.48 2pso s VAL 1030Ca -0.14 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2pso s VAL 1030Cb -0.16 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2pso s VAL 1030CO 0.04 0.18 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.52 2pso s SER 1031N -0.97 0.61 -0.12 4.85 0.01 -0.05 -1.40 113.70 116.64 2pso s SER 1031Ca 0.05 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.38 2pso s SER 1031Cb -0.08 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.31 2pso s SER 1031CO 0.01 -0.34 0.63 -1.48 0.41 0.00 0.00 173.24 172.47 2pso s LEU 1032N -1.97 -0.43 0.40 2.44 0.05 -0.92 -3.22 118.68 115.02 2pso s LEU 1032Ca -0.06 0.86 -0.25 0.00 0.05 0.00 0.00 54.13 54.74 2pso s LEU 1032Cb -0.05 2.29 -0.09 0.00 -2.05 0.00 0.00 46.19 46.30 2pso s LEU 1032CO -0.03 -0.45 1.09 -0.44 -0.55 0.00 0.00 176.35 175.97 2pso s SER 1033N -0.65 6.69 0.31 1.48 0.01 -0.45 -0.70 113.70 120.38 2pso s SER 1033Ca -0.07 2.15 0.06 0.00 1.31 0.00 0.00 55.95 59.39 2pso s SER 1033Cb -0.02 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2pso s SER 1033CO 0.06 -0.55 0.29 1.33 0.41 0.00 0.00 173.24 174.78 2pso n VAL 1034N 0.02 0.00 -4.53 3.43 0.24 -0.03 -4.79 118.33 112.67 2pso n VAL 1034Ca 0.05 -2.19 -0.32 0.00 -2.04 0.00 0.00 64.34 59.84 2pso n VAL 1034Cb 0.48 1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 33.86 2pso n VAL 1034CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2pso s GLU 1035N -3.19 2.38 0.01 7.34 2.02 -1.26 -4.62 118.70 121.37 2pso s GLU 1035Ca 0.36 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.58 2pso s GLU 1035Cb 0.01 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2pso s GLU 1035CO 0.25 0.58 -0.17 -1.58 0.02 0.00 0.00 175.26 174.36 2pso s HIS 1036N -0.97 1.52 -1.00 1.61 2.46 -1.26 -5.00 115.29 112.65 2pso s HIS 1036Ca 0.16 -0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.38 2pso s HIS 1036Cb -0.11 -0.95 0.00 0.00 -0.13 0.00 0.00 32.58 31.39 2pso s HIS 1036CO 0.07 0.01 0.95 -0.85 -2.47 0.00 0.00 174.74 172.44 2pso n GLU 1037N 2.40 0.00 0.00 2.88 0.00 -1.26 -1.99 120.64 122.67 2pso n GLU 1037Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.45 2pso n GLU 1037Cb 0.54 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.46 2pso n GLU 1037CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pso n GLU 1038N -1.45 -0.55 -3.46 3.44 1.02 -1.26 -4.84 120.64 113.54 2pso n GLU 1038Ca 0.00 -0.51 -0.39 0.00 -0.02 0.00 0.00 57.16 56.25 2pso n GLU 1038Cb 0.02 -0.92 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 2pso n GLU 1038CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pso n ALA 1039N -0.04 4.12 -2.45 0.62 0.00 -0.84 -5.06 120.51 116.87 2pso n ALA 1039Ca 0.00 -4.66 -0.36 0.00 0.00 0.00 0.00 53.44 48.43 2pso n ALA 1039Cb 0.06 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2pso n ALA 1039CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2pso s GLN 1040N -1.61 3.91 -0.64 0.00 -1.52 -1.26 -4.63 119.66 113.91 2pso s GLN 1040Ca 0.30 0.38 -0.14 0.00 -1.95 0.00 0.00 55.36 53.95 2pso s GLN 1040Cb -0.05 -3.01 -0.17 0.00 -0.22 0.00 0.00 33.01 29.56 2pso s GLN 1040CO -0.08 0.55 1.59 1.47 -0.25 0.00 0.00 175.29 178.57 2pso n LEU 1041N 1.04 -0.26 0.00 2.90 -0.00 -1.26 -4.71 117.00 114.71 2pso n LEU 1041Ca -0.08 -0.07 0.04 0.00 -0.00 0.00 0.00 56.01 55.90 2pso n LEU 1041Cb 0.52 -0.49 0.23 0.00 -0.00 0.00 0.00 43.42 43.68 2pso n LEU 1041CO 0.42 -0.64 0.54 0.18 -0.00 0.00 0.00 177.39 177.88 2pso n LEU 1042N 5.45 0.00 0.00 1.47 4.32 -1.26 -4.87 117.00 122.11 2pso n LEU 1042Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 2pso n LEU 1042Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2pso n LEU 1042CO 0.64 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 2pso n GLY 1043N 0.32 -0.41 0.00 -0.72 0.00 -1.26 -5.09 105.19 98.03 2pso n GLY 1043Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2pso n GLY 1043CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pso n GLY 1044N 0.00 0.27 2.97 -0.02 0.00 -1.25 -4.96 105.19 102.21 2pso n GLY 1044Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2pso n GLY 1044CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pso s VAL 1045N 0.00 1.65 -0.14 1.61 1.01 0.80 -4.93 120.40 120.41 2pso s VAL 1045Ca 0.00 -1.26 -0.37 0.00 0.00 0.00 0.00 61.98 60.35 2pso s VAL 1045Cb 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 36.38 34.37 2pso s VAL 1045CO 0.00 -0.05 1.74 0.54 0.00 0.00 0.00 175.10 177.33 2pso n ARG 1046N 4.63 1.61 -0.94 2.72 5.12 -1.26 -1.39 116.66 127.16 2pso n ARG 1046Ca -0.13 0.59 -0.10 0.00 -1.93 0.00 0.00 57.85 56.28 2pso n ARG 1046Cb 0.44 -2.34 0.07 0.00 -1.16 0.00 0.00 32.46 29.47 2pso n ARG 1046CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pso n ALA 1047N 5.42 -0.35 -3.51 7.54 0.00 0.14 -4.40 120.51 125.35 2pso n ALA 1047Ca 0.24 -0.68 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 2pso n ALA 1047Cb 0.21 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.54 2pso n ALA 1047CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pso s VAL 1048N -1.73 0.07 -0.55 0.00 1.01 -0.83 -4.93 120.40 113.45 2pso s VAL 1048Ca 0.27 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 2pso s VAL 1048Cb -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2pso s VAL 1048CO 0.19 -0.85 1.78 -0.69 0.00 0.00 0.00 175.10 175.53 2pso s VAL 1049N 1.60 3.44 -0.10 2.92 1.01 -1.26 -1.21 120.40 126.81 2pso s VAL 1049Ca 0.13 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 2pso s VAL 1049Cb -0.19 -3.96 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 2pso s VAL 1049CO -0.19 -0.86 0.71 0.24 0.00 0.00 0.00 175.10 175.00 2pso h MET 1050N 13.97 0.20 -4.65 2.72 2.86 -1.55 -1.20 114.93 127.27 2pso h MET 1050Ca -0.28 -0.33 -0.38 0.00 -2.06 0.00 0.00 59.70 56.66 2pso h MET 1050Cb 1.15 0.12 -0.28 0.00 0.06 0.00 0.00 31.60 32.65 2pso h MET 1050CO 1.18 1.16 -0.77 -0.51 1.06 0.00 0.00 176.91 179.03 2pso s ASP 1051N -6.83 0.98 -0.29 1.22 1.11 -0.93 -4.88 116.67 107.05 2pso s ASP 1051Ca -0.18 -0.17 -0.10 0.00 0.18 0.00 0.00 52.55 52.28 2pso s ASP 1051Cb 0.02 -0.10 0.13 0.00 1.07 0.00 0.00 42.92 44.03 2pso s ASP 1051CO 0.76 0.09 0.64 -0.55 1.18 0.00 0.00 175.17 177.29 2pso s SER 1052N -0.27 -1.10 -0.12 0.27 0.15 -1.20 -0.96 113.70 110.47 2pso s SER 1052Ca 0.03 1.55 -0.05 0.00 0.70 0.00 0.00 55.95 58.17 2pso s SER 1052Cb -0.04 2.24 0.05 0.00 -1.71 0.00 0.00 66.02 66.57 2pso s SER 1052CO -0.00 -0.22 0.26 0.00 1.20 0.00 0.00 173.24 174.48 2pso s GLN 1053N 2.85 0.19 -0.18 5.44 0.00 -0.56 -0.88 119.66 126.52 2pso s GLN 1053Ca -0.06 0.63 -0.16 0.00 -0.00 0.00 0.00 55.36 55.77 2pso s GLN 1053Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 33.01 32.77 2pso s GLN 1053CO -0.19 -0.21 0.40 0.71 0.00 0.00 0.00 175.29 176.00 2pso s TYR 1054N 1.73 3.40 -0.22 9.60 1.51 0.84 -1.82 117.35 132.39 2pso s TYR 1054Ca -0.05 0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 2pso s TYR 1054Cb -0.11 -2.50 -0.00 0.00 -0.11 0.00 0.00 41.96 39.23 2pso s TYR 1054CO -0.09 0.05 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.83 2pso s LEU 1055N 1.11 2.82 -0.17 -1.29 1.43 0.72 -1.29 118.68 122.00 2pso s LEU 1055Ca 0.20 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2pso s LEU 1055Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2pso s LEU 1055CO 0.08 -0.03 -0.18 -0.63 0.23 0.00 0.00 176.35 175.82 2pso s ILE 1056N 1.44 2.33 0.08 -0.59 1.01 -0.03 -0.47 121.20 124.97 2pso s ILE 1056Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2pso s ILE 1056Cb -0.14 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2pso s ILE 1056CO -0.05 0.52 -0.14 -1.83 0.00 0.00 0.00 174.94 173.45 2pso s GLU 1057N 1.12 0.86 0.03 2.79 -1.05 -0.76 -0.61 118.70 121.08 2pso s GLU 1057Ca 0.01 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 2pso s GLU 1057Cb -0.14 -0.83 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 2pso s GLU 1057CO -0.07 0.18 1.26 -2.14 0.95 0.00 0.00 175.26 175.44 2pso s PRO 1058N -1.97 4.37 -0.03 -4.83 0.02 -1.26 -1.01 135.00 130.29 2pso s PRO 1058Ca 0.00 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.86 2pso s PRO 1058Cb -0.09 -3.43 0.01 0.00 0.02 0.00 0.00 34.50 31.02 2pso s PRO 1058CO 0.02 -0.39 -0.05 0.00 -0.33 0.00 0.00 177.00 176.25 2pso n GLY 1060N 3.62 -1.77 3.55 0.00 0.00 -1.26 -3.38 105.19 105.95 2pso n GLY 1060Ca -0.21 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2pso n GLY 1060CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pso s SER 1061N -4.09 6.34 -1.48 1.61 0.01 -1.26 -3.94 113.70 110.89 2pso s SER 1061Ca 0.00 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 2pso s SER 1061Cb 0.00 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.74 2pso s SER 1061CO 0.00 -1.48 0.73 0.61 0.41 0.00 0.00 173.24 173.52 2pso n GLY 1062N 5.16 -0.52 3.52 3.44 0.00 -1.26 -5.01 105.19 110.52 2pso n GLY 1062Ca 0.04 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2pso n GLY 1062CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pso s LYS 1063N -5.94 1.76 0.03 1.61 1.02 -1.22 -2.77 119.74 114.23 2pso s LYS 1063Ca 0.40 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 54.45 2pso s LYS 1063Cb -0.19 -1.33 -0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2pso s LYS 1063CO 0.50 -0.03 -0.05 -1.12 -0.92 0.00 0.00 175.35 173.72 2pso s SER 1064N -3.57 0.52 -0.32 2.83 0.01 0.29 -2.37 113.70 111.10 2pso s SER 1064Ca 0.34 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 2pso s SER 1064Cb 0.07 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 2pso s SER 1064CO 0.16 -0.22 0.57 -0.60 0.41 0.00 0.00 173.24 173.56 2pso s ARG 1065N -1.34 3.83 -0.22 12.44 6.06 -0.18 0.71 118.95 140.26 2pso s ARG 1065Ca -0.11 0.14 -0.10 0.00 -2.50 0.00 0.00 55.73 53.15 2pso s ARG 1065Cb -0.09 -3.75 -0.05 0.00 0.06 0.00 0.00 34.95 31.13 2pso s ARG 1065CO -0.00 -0.57 0.15 -1.17 -2.50 0.00 0.00 175.30 171.22 2pso s LEU 1066N 2.50 4.17 -0.12 -0.88 2.96 0.05 -1.83 118.68 125.53 2pso s LEU 1066Ca 0.22 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2pso s LEU 1066Cb -0.15 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.45 2pso s LEU 1066CO 0.12 0.12 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.30 2pso s THR 1067N 0.69 1.07 -0.41 3.68 2.01 0.38 -2.07 115.64 120.99 2pso s THR 1067Ca 0.08 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 2pso s THR 1067Cb -0.12 -1.08 0.06 0.00 0.01 0.00 0.00 72.50 71.37 2pso s THR 1067CO 0.01 0.38 0.25 -2.28 -0.69 0.00 0.00 174.62 172.29 2pso s HIS 1068N 1.68 3.29 -0.43 4.92 2.46 -0.39 -0.20 115.29 126.62 2pso s HIS 1068Ca 0.05 -1.28 -0.19 0.00 0.47 0.00 0.00 55.06 54.10 2pso s HIS 1068Cb -0.13 -2.79 0.02 0.00 -0.13 0.00 0.00 32.58 29.55 2pso s HIS 1068CO -0.08 -0.78 0.54 0.42 -2.47 0.00 0.00 174.74 172.37 2pso s ILE 1069N 1.49 4.96 0.28 0.89 1.01 -0.76 -1.96 121.20 127.11 2pso s ILE 1069Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.62 2pso s ILE 1069Cb -0.22 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2pso s ILE 1069CO 0.04 -0.49 0.22 0.00 0.00 0.00 0.00 174.94 174.70 2pso s ARG 1071N -3.73 0.59 0.06 0.00 3.52 -0.13 -0.39 118.95 118.87 2pso s ARG 1071Ca 0.40 0.38 0.06 0.00 -0.13 0.00 0.00 55.73 56.44 2pso s ARG 1071Cb 0.04 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 2pso s ARG 1071CO 0.21 -1.07 -0.13 0.42 -0.81 0.00 0.00 175.30 173.92 2pso s ILE 1072N 2.64 3.16 -0.71 4.11 1.01 -1.26 -1.36 121.20 128.79 2pso s ILE 1072Ca 0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 2pso s ILE 1072Cb -0.09 -2.39 0.18 0.00 0.01 0.00 0.00 42.46 40.16 2pso s ILE 1072CO -0.23 0.27 0.54 -0.62 0.00 0.00 0.00 174.94 174.90 2pso s ASP 1073N -1.70 5.39 0.30 3.58 -1.08 -0.35 -4.96 116.67 117.85 2pso s ASP 1073Ca 0.17 -3.22 -0.29 0.00 -0.52 0.00 0.00 52.55 48.69 2pso s ASP 1073Cb -0.11 -1.84 -0.10 0.00 -1.46 0.00 0.00 42.92 39.41 2pso s ASP 1073CO 0.09 -0.28 1.31 -0.76 0.52 0.00 0.00 175.17 176.04 2pso s LEU 1074N -0.59 4.43 -0.88 -1.34 2.01 -1.26 -1.95 118.68 119.09 2pso s LEU 1074Ca 0.21 2.62 -0.16 0.00 0.01 0.00 0.00 54.13 56.81 2pso s LEU 1074Cb -0.15 -3.64 0.17 0.00 0.01 0.00 0.00 46.19 42.58 2pso s LEU 1074CO -0.07 -0.53 0.95 -0.54 1.01 0.00 0.00 176.35 177.17 2pso s LYS 1075N -1.38 3.60 0.00 1.70 1.02 -1.26 -4.54 119.74 118.87 2pso s LYS 1075Ca 0.51 -2.10 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2pso s LYS 1075Cb -0.39 -4.67 0.00 0.00 -0.52 0.00 0.00 37.83 32.25 2pso s LYS 1075CO 0.49 -1.54 0.00 0.41 -0.92 0.00 0.00 175.35 173.80 2pso n GLY 1076N 4.75 0.44 3.70 -3.33 0.00 -1.26 -5.06 105.19 104.43 2pso n GLY 1076Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2pso n GLY 1076CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pso s HIS 1077N -0.80 1.85 0.51 1.61 3.76 -1.26 -5.13 115.29 115.83 2pso s HIS 1077Ca 0.00 -1.03 -0.21 0.00 -0.15 0.00 0.00 55.06 53.67 2pso s HIS 1077Cb 0.00 -1.51 -0.06 0.00 1.11 0.00 0.00 32.58 32.12 2pso s HIS 1077CO 0.00 0.11 1.16 -1.12 -0.85 0.00 0.00 174.74 174.04 2pso s SER 1078N -3.81 5.87 0.45 1.40 0.01 -1.26 -4.92 113.70 111.43 2pso s SER 1078Ca 0.10 2.28 0.18 0.00 1.31 0.00 0.00 55.95 59.82 2pso s SER 1078Cb 0.02 -2.60 1.06 0.00 0.21 0.00 0.00 66.02 64.71 2pso s SER 1078CO 0.06 -1.12 1.97 -0.65 0.41 0.00 0.00 173.24 173.91 2pso h PRO 1079N 1.59 0.00 -1.00 12.44 0.11 -2.00 -2.83 132.00 140.31 2pso h PRO 1079Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pso h PRO 1079Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pso h PRO 1079CO 0.58 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2pso n GLU 1080N -4.08 1.00 0.00 1.05 4.71 -1.26 -2.77 120.64 119.30 2pso n GLU 1080Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2pso n GLU 1080Cb 0.28 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 2pso n GLU 1080CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 2pso n TRP 1081N 0.18 0.00 1.69 -0.32 -0.00 -1.07 -4.66 117.44 113.26 2pso n TRP 1081Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2pso n TRP 1081Cb 0.34 0.03 0.01 0.00 -0.00 0.00 0.00 31.31 31.70 2pso n TRP 1081CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2pso n TYR 1082N -2.42 0.04 0.09 5.87 4.01 -1.19 -1.79 117.16 121.76 2pso n TYR 1082Ca 0.00 -0.02 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 2pso n TYR 1082Cb 0.38 -0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.25 2pso n TYR 1082CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2pso h SER 1083N 0.14 0.85 0.00 7.72 0.87 -1.79 -3.43 113.55 117.92 2pso h SER 1083Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2pso h SER 1083Cb 0.15 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2pso h SER 1083CO 0.00 1.59 0.00 0.29 -0.53 0.00 0.00 176.83 178.19 2pso n LYS 1084N -3.83 0.44 0.12 2.24 4.01 -1.24 -4.94 118.16 114.96 2pso n LYS 1084Ca -0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 2pso n LYS 1084Cb 0.97 -0.39 0.31 0.00 -0.51 0.00 0.00 35.03 35.41 2pso n LYS 1084CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 2pso h GLY 1085N 0.00 0.22 1.22 0.72 0.00 -1.64 -2.95 103.07 100.63 2pso h GLY 1085Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2pso h GLY 1085CO 0.00 0.16 -0.23 -2.75 0.00 0.00 0.00 176.54 173.72 2pso h PHE 1086N 0.18 1.02 -0.94 5.60 3.04 -1.81 -3.01 116.94 121.02 2pso h PHE 1086Ca 0.03 -0.24 0.10 0.00 3.98 0.00 0.00 57.97 61.83 2pso h PHE 1086Cb 0.63 -0.24 -0.08 0.00 2.56 0.00 0.00 35.95 38.82 2pso h PHE 1086CO 0.01 1.02 0.58 0.78 -2.02 0.00 0.00 178.31 178.69 2pso h GLY 1087N 0.92 1.49 1.34 2.40 0.00 -1.85 -1.28 103.07 106.10 2pso h GLY 1087Ca 0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2pso h GLY 1087CO 0.06 0.19 -0.01 0.45 0.00 0.00 0.00 176.54 177.23 2pso h HIS 1088N 0.97 0.86 -0.48 5.60 3.86 -1.56 -0.63 115.15 123.76 2pso h HIS 1088Ca 0.45 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 2pso h HIS 1088Cb 0.37 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2pso h HIS 1088CO -0.02 0.80 0.23 -0.07 0.86 0.00 0.00 177.93 179.72 2pso h LEU 1089N 0.75 0.64 -0.65 2.43 3.38 -1.17 -1.95 115.31 118.74 2pso h LEU 1089Ca 0.14 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2pso h LEU 1089Cb 0.47 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2pso h LEU 1089CO 0.02 0.59 0.37 0.00 0.09 0.00 0.00 178.44 179.51 2pso h ALA 1091N 1.33 1.05 0.00 0.00 0.00 -0.74 -2.17 119.26 118.72 2pso h ALA 1091Ca 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2pso h ALA 1091Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pso h ALA 1091CO -0.16 0.30 -0.52 0.00 0.00 0.00 0.00 179.25 178.86 2pso h ALA 1092N 1.76 0.75 -0.11 0.00 0.00 -1.06 -2.25 119.26 118.36 2pso h ALA 1092Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2pso h ALA 1092Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pso h ALA 1092CO 0.03 0.09 -0.39 1.49 0.00 0.00 0.00 179.25 180.48 2pso h GLU 1093N 0.00 0.45 0.00 0.00 4.81 -0.74 -2.02 114.58 117.08 2pso h GLU 1093Ca -0.01 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2pso h GLU 1093Cb 1.06 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2pso h GLU 1093CO 0.01 0.97 0.00 -0.24 -0.73 0.00 0.00 179.01 179.02 2pso h VAL 1094N 0.03 0.00 0.09 0.32 3.04 -1.51 -1.32 116.25 116.91 2pso h VAL 1094Ca -0.02 -0.50 -0.30 0.00 -1.01 0.00 0.00 66.70 64.87 2pso h VAL 1094Cb 1.02 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 2pso h VAL 1094CO 0.08 0.00 -1.58 0.00 -1.01 0.00 0.00 177.57 175.06 2pso h ALA 1095N 2.14 0.39 -0.41 3.17 0.00 -1.29 -3.06 119.26 120.20 2pso h ALA 1095Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 54.91 53.61 2pso h ALA 1095Cb 0.57 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2pso h ALA 1095CO 0.00 1.25 -0.17 0.00 0.00 0.00 0.00 179.25 180.33 2pso h ARG 1096N 0.05 0.84 -0.78 0.00 3.08 -0.95 0.10 114.38 116.72 2pso h ARG 1096Ca -0.25 -0.35 0.07 0.00 0.07 0.00 0.00 59.98 59.51 2pso h ARG 1096Cb 2.00 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.96 2pso h ARG 1096CO 0.14 0.99 0.46 0.82 -1.07 0.00 0.00 179.97 181.31 2pso h ILE 1097N 0.66 0.99 0.30 2.04 2.04 -1.35 -0.39 117.51 121.80 2pso h ILE 1097Ca 0.10 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2pso h ILE 1097Cb 0.72 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2pso h ILE 1097CO 0.05 0.15 -0.14 -0.09 0.00 0.00 0.00 178.15 178.12 2pso h ARG 1098N 0.84 -0.38 -0.83 2.37 2.43 -1.35 -2.89 114.38 114.57 2pso h ARG 1098Ca 0.35 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.75 2pso h ARG 1098Cb 0.20 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 2pso h ARG 1098CO -0.19 -0.16 0.56 -0.91 -1.51 0.00 0.00 179.97 177.77 2pso h ASN 1099N -0.54 0.24 0.00 -3.80 2.35 -0.28 -0.88 115.58 112.67 2pso h ASN 1099Ca -0.04 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2pso h ASN 1099Cb 0.40 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2pso h ASN 1099CO 0.07 0.10 0.00 -1.54 -1.65 0.00 0.00 177.43 174.41 2pso n SER 1100N -4.43 0.00 -0.14 5.81 3.41 -0.20 -0.94 113.62 117.13 2pso n SER 1100Ca 0.17 -0.93 0.01 0.00 -0.26 0.00 0.00 58.87 57.86 2pso n SER 1100Cb 0.73 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.71 2pso n SER 1100CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2pso n PHE 1101N -0.77 0.10 -3.75 7.33 3.01 -0.34 -4.97 117.46 118.07 2pso n PHE 1101Ca 0.08 -0.50 -0.37 0.00 1.01 0.00 0.00 57.45 57.67 2pso n PHE 1101Cb 0.04 -0.05 -0.11 0.00 -0.01 0.00 0.00 39.48 39.35 2pso n PHE 1101CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2pso s GLN 1102N -1.01 3.83 -0.51 -1.08 -0.21 -0.12 -4.86 119.66 115.71 2pso s GLN 1102Ca 0.05 -0.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.99 2pso s GLN 1102Cb 0.03 -3.41 -0.17 0.00 1.00 0.00 0.00 33.01 30.45 2pso s GLN 1102CO 0.03 -0.08 1.45 -2.30 -2.12 0.00 0.00 175.29 172.27 2pso n PRO 1103N 4.65 0.00 0.00 2.91 -0.02 -1.26 -5.03 135.00 136.25 2pso n PRO 1103Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2pso n PRO 1103Cb 0.52 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2pso n PRO 1103CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76