#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pso s THR 908 N 0.00 -0.55 -0.11 3.57 -1.32 -1.26 -4.82 115.64 111.15 2pso s THR 908 Ca 0.00 -0.58 -0.10 0.00 -1.21 0.00 0.00 61.69 59.80 2pso s THR 908 Cb 0.00 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.37 2pso s THR 908 CO 0.00 -0.38 0.30 -0.47 -2.21 0.00 0.00 174.62 171.86 2pso s TYR 909 N 1.88 -0.34 0.63 9.09 6.14 -1.26 -5.08 117.35 128.41 2pso s TYR 909 Ca 0.14 0.82 0.31 0.00 0.64 0.00 0.00 57.07 58.98 2pso s TYR 909 Cb -0.12 0.11 1.67 0.00 0.42 0.00 0.00 41.96 44.05 2pso s TYR 909 CO -0.13 -0.17 2.00 1.25 0.64 0.00 0.00 175.55 179.14 2pso h LEU 910 N 5.76 0.00 -1.76 6.97 7.12 -2.06 -3.01 115.31 128.33 2pso h LEU 910 Ca -0.27 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.74 2pso h LEU 910 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 2pso h LEU 910 CO 0.32 0.00 0.00 0.59 -0.13 0.00 0.00 178.44 179.22 2pso n ASN 911 N -3.35 1.97 -2.36 1.25 5.03 -1.26 -2.12 115.26 114.43 2pso n ASN 911 Ca 0.01 -1.57 -0.21 0.00 0.87 0.00 0.00 54.58 53.69 2pso n ASN 911 Cb 0.41 -0.39 0.02 0.00 -1.02 0.00 0.00 39.78 38.79 2pso n ASN 911 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2pso n HIS 912 N 0.49 2.66 1.05 3.10 8.25 -1.14 -4.46 115.22 125.17 2pso n HIS 912 Ca 0.00 -2.61 0.12 0.00 -0.26 0.00 0.00 57.72 54.97 2pso n HIS 912 Cb 0.34 -0.23 0.30 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.54 0.56 -0.24 2.41 -0.00 -0.90 -3.19 117.00 115.10 2pso n LEU 913 Ca 0.34 -0.02 0.02 0.00 -0.00 0.00 0.00 56.01 56.35 2pso n LEU 913 Cb 0.82 -0.24 0.14 0.00 -0.00 0.00 0.00 43.42 44.13 2pso n LEU 913 CO 0.32 0.13 1.04 0.40 -0.00 0.00 0.00 177.39 179.28 2pso h ILE 914 N 0.22 0.80 -0.77 1.47 2.04 -1.84 0.55 117.51 119.99 2pso h ILE 914 Ca 0.00 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2pso h ILE 914 Cb 0.50 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 2pso h ILE 914 CO 0.00 0.10 0.49 1.56 0.00 0.00 0.00 178.15 180.29 2pso h GLN 915 N 0.53 0.92 -0.19 2.37 4.20 -1.89 -1.94 115.11 119.11 2pso h GLN 915 Ca 0.35 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2pso h GLN 915 Cb 0.41 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2pso h GLN 915 CO -0.30 0.61 0.08 0.78 -0.67 0.00 0.00 178.83 179.33 2pso h GLY 916 N 0.94 0.29 1.09 3.46 0.00 -1.22 -2.51 103.07 105.13 2pso h GLY 916 Ca 0.31 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2pso h GLY 916 CO -0.12 0.14 0.06 1.41 0.00 0.00 0.00 176.54 178.03 2pso h LEU 917 N 0.16 1.07 -0.07 3.11 3.38 0.24 0.19 115.31 123.39 2pso h LEU 917 Ca 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2pso h LEU 917 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2pso h LEU 917 CO -0.01 1.08 -0.03 1.56 0.09 0.00 0.00 178.44 181.14 2pso h GLN 918 N 1.02 -0.02 -0.53 1.13 4.20 -1.38 -1.34 115.11 118.19 2pso h GLN 918 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2pso h GLN 918 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2pso h GLN 918 CO 0.02 -0.01 0.30 -0.22 -0.67 0.00 0.00 178.83 178.26 2pso h LYS 919 N -0.02 0.72 -0.25 1.46 3.64 -1.11 -1.36 116.57 119.65 2pso h LYS 919 Ca 0.04 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2pso h LYS 919 Cb 0.07 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2pso h LYS 919 CO -0.08 0.52 -0.27 1.49 -2.27 0.00 0.00 179.45 178.84 2pso h GLU 920 N 0.73 0.63 -0.06 1.90 4.81 -0.66 -3.12 114.58 118.80 2pso h GLU 920 Ca 0.19 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.92 2pso h GLU 920 Cb -0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2pso h GLU 920 CO -0.03 0.94 -0.68 0.00 -0.73 0.00 0.00 179.01 178.51 2pso h ALA 921 N 0.67 0.72 -0.39 2.92 0.00 -0.89 -3.22 119.26 119.07 2pso h ALA 921 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2pso h ALA 921 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pso h ALA 921 CO 0.07 0.77 -0.27 0.87 0.00 0.00 0.00 179.25 180.68 2pso h LYS 922 N 0.20 0.83 -0.99 0.00 1.57 -1.32 -2.84 116.57 114.01 2pso h LYS 922 Ca -0.02 -0.36 0.22 0.00 -1.87 0.00 0.00 60.65 58.61 2pso h LYS 922 Cb 1.22 -0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 2pso h LYS 922 CO 0.11 1.00 0.58 0.93 -0.57 0.00 0.00 179.45 181.50 2pso h GLU 923 N 0.71 0.63 0.00 3.15 4.39 -1.55 -0.32 114.58 121.60 2pso h GLU 923 Ca 0.09 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2pso h GLU 923 Cb 0.81 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2pso h GLU 923 CO 0.07 0.42 -0.24 0.87 -1.16 0.00 0.00 179.01 178.97 2pso h LYS 924 N 0.65 0.00 -6.04 2.33 1.57 -1.57 -3.44 116.57 110.07 2pso h LYS 924 Ca 0.61 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.82 2pso h LYS 924 Cb 1.05 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 2pso h LYS 924 CO -0.44 0.24 0.05 0.12 -0.57 0.00 0.00 179.45 178.86 2pso s PHE 925 N -3.54 3.61 -1.59 -1.35 5.36 -0.13 -4.93 117.98 115.41 2pso s PHE 925 Ca 0.01 1.23 0.14 0.00 -0.96 0.00 0.00 56.93 57.36 2pso s PHE 925 Cb 0.10 -2.75 0.07 0.00 -0.34 0.00 0.00 43.02 40.10 2pso s PHE 925 CO 0.65 0.17 0.88 1.63 -1.46 0.00 0.00 175.22 177.09 2pso n LYS 926 N 3.46 1.36 0.00 10.12 5.02 -1.26 -4.80 118.16 132.06 2pso n LYS 926 Ca -0.03 -1.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 2pso n LYS 926 Cb 0.51 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 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 0.92 1.71 3.56 0.72 0.00 -1.26 -4.76 105.19 106.08 2pso n GLY 927 Ca 0.07 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 2.41 3.22 -0.28 1.61 0.52 -1.26 -4.40 118.94 120.75 2pso s TRP 928 Ca 0.00 0.08 -0.19 0.00 0.02 0.00 0.00 56.10 56.01 2pso s TRP 928 Cb 0.00 -2.60 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 2pso s TRP 928 CO 0.00 -0.35 0.56 0.08 0.02 0.00 0.00 176.95 177.26 2pso s VAL 929 N 1.98 5.02 0.38 4.03 1.01 0.05 -4.91 120.40 127.95 2pso s VAL 929 Ca 0.11 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2pso s VAL 929 Cb -0.16 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2pso s VAL 929 CO 0.11 -0.02 0.99 0.42 0.00 0.00 0.00 175.10 176.60 2pso s THR 930 N 2.43 4.06 0.05 3.92 -4.23 -1.26 -2.09 115.64 118.52 2pso s THR 930 Ca 0.23 1.53 0.08 0.00 -1.18 0.00 0.00 61.69 62.34 2pso s THR 930 Cb -0.15 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2pso s THR 930 CO 0.10 -0.04 -0.22 0.00 -0.54 0.00 0.00 174.62 173.93 2pso s SER 932 N -1.28 7.20 0.34 0.00 0.15 -1.26 -3.90 113.70 114.95 2pso s SER 932 Ca 0.08 1.77 0.05 0.00 0.70 0.00 0.00 55.95 58.54 2pso s SER 932 Cb -0.09 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2pso s SER 932 CO 0.02 -0.42 0.19 -0.94 1.20 0.00 0.00 173.24 173.29 2pso s SER 933 N 1.14 1.91 0.54 5.45 1.04 -1.26 -5.01 113.70 117.51 2pso s SER 933 Ca 0.54 -1.65 0.04 0.00 0.48 0.00 0.00 55.95 55.36 2pso s SER 933 Cb -0.24 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2pso s SER 933 CO 0.25 -0.95 0.30 0.42 0.98 0.00 0.00 173.24 174.24 2pso s THR 934 N -3.46 1.46 -1.50 2.02 -4.23 -1.26 -4.69 115.64 103.98 2pso s THR 934 Ca 0.34 -1.63 -0.06 0.00 -1.18 0.00 0.00 61.69 59.16 2pso s THR 934 Cb 0.03 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.80 2pso s THR 934 CO 0.20 0.00 0.76 -0.67 -0.54 0.00 0.00 174.62 174.37 2pso n ASP 935 N -1.66 -6.10 -3.13 3.99 2.03 -1.26 -3.01 116.55 107.41 2pso n ASP 935 Ca -0.07 -0.37 -0.20 0.00 0.52 0.00 0.00 54.79 54.67 2pso n ASP 935 Cb 0.65 -4.89 0.07 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 -2.65 -5.76 -4.45 1.67 2.85 -1.26 -4.97 115.26 100.69 2pso n ASN 936 Ca -0.08 -0.45 -0.30 0.00 -0.11 0.00 0.00 54.58 53.64 2pso n ASN 936 Cb 0.60 -4.38 -0.13 0.00 1.24 0.00 0.00 39.78 37.12 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 -3.27 2.70 -0.28 -0.44 -4.23 -1.16 -4.82 115.64 104.14 2pso s THR 937 Ca 0.50 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 2pso s THR 937 Cb -0.22 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 2pso s THR 937 CO 0.61 0.28 0.24 -1.81 -0.54 0.00 0.00 174.62 173.40 2pso s ASP 938 N -1.59 6.08 0.16 3.99 1.01 -0.36 -4.50 116.67 121.45 2pso s ASP 938 Ca 0.15 0.05 0.10 0.00 0.71 0.00 0.00 52.55 53.55 2pso s ASP 938 Cb -0.10 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2pso s ASP 938 CO 0.06 -0.09 -0.16 -0.22 0.21 0.00 0.00 175.17 174.97 2pso s LEU 939 N 1.84 2.74 -0.13 1.23 2.96 -1.25 -0.82 118.68 125.25 2pso s LEU 939 Ca 0.09 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 2pso s LEU 939 Cb -0.16 -1.49 0.10 0.00 0.50 0.00 0.00 46.19 45.14 2pso s LEU 939 CO 0.11 0.13 0.86 0.00 -1.32 0.00 0.00 176.35 176.13 2pso s ALA 940 N -1.50 -1.86 0.47 5.97 0.00 -0.26 -1.39 121.76 123.18 2pso s ALA 940 Ca 0.21 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.73 2pso s ALA 940 Cb -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2pso s ALA 940 CO 0.12 -0.33 0.01 -0.59 0.00 0.00 0.00 175.76 174.97 2pso s PHE 941 N -0.97 2.15 -0.14 0.00 -0.12 -0.89 -0.32 117.98 117.69 2pso s PHE 941 Ca -0.05 -0.83 -0.13 0.00 -0.05 0.00 0.00 56.93 55.87 2pso s PHE 941 Cb -0.01 -1.69 0.04 0.00 -0.63 0.00 0.00 43.02 40.73 2pso s PHE 941 CO 0.04 0.32 0.38 0.21 -0.05 0.00 0.00 175.22 176.12 2pso s LYS 942 N -3.81 0.43 -0.08 1.99 2.20 -0.35 -0.77 119.74 119.35 2pso s LYS 942 Ca 0.19 0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 2pso s LYS 942 Cb 0.05 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2pso s LYS 942 CO 0.10 -0.06 0.97 0.21 -0.36 0.00 0.00 175.35 176.21 2pso s LYS 943 N 0.30 4.45 0.08 4.03 2.20 -1.26 -1.40 119.74 128.15 2pso s LYS 943 Ca -0.01 1.35 -0.20 0.00 -0.36 0.00 0.00 55.97 56.75 2pso s LYS 943 Cb -0.03 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 2pso s LYS 943 CO -0.01 -0.22 0.59 0.08 -0.36 0.00 0.00 175.35 175.43 2pso s VAL 944 N 1.68 4.70 -1.38 4.02 1.01 -1.26 -4.89 120.40 124.28 2pso s VAL 944 Ca 0.48 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 2pso s VAL 944 Cb -0.19 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.34 2pso s VAL 944 CO 0.20 0.55 2.01 0.61 0.00 0.00 0.00 175.10 178.48 2pso n GLY 945 N 1.70 3.92 0.00 4.51 0.00 -1.26 -4.57 105.19 109.50 2pso n GLY 945 Ca -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2pso n GLY 945 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pso n ASP 946 N 6.41 4.77 -0.00 1.61 2.03 -1.26 -4.97 116.55 125.14 2pso n ASP 946 Ca 0.49 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.80 2pso n ASP 946 Cb 0.41 0.78 -0.00 0.00 -0.72 0.00 0.00 41.12 41.58 2pso n ASP 946 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pso n GLY 947 N 2.57 0.48 2.80 0.27 0.00 -1.26 -5.01 105.19 105.04 2pso n GLY 947 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 2.36 0.59 1.61 3.84 -1.26 -5.04 114.94 115.02 2pso s ASN 948 Ca 0.00 -0.48 0.29 0.00 0.21 0.00 0.00 52.86 52.88 2pso s ASN 948 Cb 0.00 -0.63 1.57 0.00 -0.55 0.00 0.00 41.25 41.64 2pso s ASN 948 CO 0.00 -0.22 2.00 -0.65 -2.79 0.00 0.00 177.10 175.44 2pso h PRO 949 N 8.24 0.00 -6.35 0.43 0.11 -1.95 -3.44 132.00 129.05 2pso h PRO 949 Ca -0.20 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.37 2pso h PRO 949 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 2pso h PRO 949 CO 0.33 0.00 1.08 -0.51 -0.21 0.00 0.00 178.00 178.69 2pso s LEU 950 N -7.48 4.36 0.81 2.35 1.43 -1.26 -4.95 118.68 113.94 2pso s LEU 950 Ca -0.04 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2pso s LEU 950 Cb 0.15 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.90 2pso s LEU 950 CO 0.54 -0.93 1.09 -0.54 0.23 0.00 0.00 176.35 176.74 2pso s LYS 951 N 3.62 2.01 -0.05 1.70 1.02 -1.26 -4.64 119.74 122.15 2pso s LYS 951 Ca 0.76 0.77 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 2pso s LYS 951 Cb -0.37 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2pso s LYS 951 CO 0.33 -1.70 0.08 -1.17 -0.92 0.00 0.00 175.35 171.97 2pso s LEU 952 N -5.87 3.96 0.11 3.17 2.96 -0.49 -4.76 118.68 117.76 2pso s LEU 952 Ca 0.61 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 2pso s LEU 952 Cb -0.15 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2pso s LEU 952 CO 0.55 0.32 -0.20 0.26 -1.32 0.00 0.00 176.35 175.97 2pso s TRP 953 N -1.10 1.75 -0.06 5.38 0.52 -0.48 -1.21 118.94 123.73 2pso s TRP 953 Ca 0.19 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.89 2pso s TRP 953 Cb -0.12 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.28 2pso s TRP 953 CO 0.10 0.21 -0.07 0.21 0.02 0.00 0.00 176.95 177.43 2pso s LYS 954 N -2.06 1.13 0.04 4.98 2.20 0.56 -0.67 119.74 125.92 2pso s LYS 954 Ca 0.07 -0.19 0.05 0.00 -0.36 0.00 0.00 55.97 55.55 2pso s LYS 954 Cb -0.09 -1.09 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 2pso s LYS 954 CO 0.04 -0.09 -0.16 0.00 -0.36 0.00 0.00 175.35 174.79 2pso s ALA 955 N 1.03 1.31 -0.05 3.13 0.00 -0.30 -1.11 121.76 125.78 2pso s ALA 955 Ca -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2pso s ALA 955 Cb -0.14 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2pso s ALA 955 CO -0.00 0.26 0.14 -1.12 0.00 0.00 0.00 175.76 175.04 2pso s SER 956 N -1.19 -0.12 0.07 0.00 0.01 0.00 -1.46 113.70 111.01 2pso s SER 956 Ca 0.03 0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 2pso s SER 956 Cb -0.08 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2pso s SER 956 CO 0.01 -0.09 0.02 0.68 0.41 0.00 0.00 173.24 174.27 2pso s VAL 957 N -0.13 0.19 -0.07 3.43 -7.23 -0.90 -1.23 120.40 114.46 2pso s VAL 957 Ca -0.02 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.27 2pso s VAL 957 Cb -0.02 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2pso s VAL 957 CO 0.00 -0.85 0.33 -0.70 -0.31 0.00 0.00 175.10 173.58 2pso s GLU 958 N -3.94 3.95 -0.03 4.82 2.12 -1.26 -1.04 118.70 123.32 2pso s GLU 958 Ca 0.10 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.68 2pso s GLU 958 Cb 0.07 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2pso s GLU 958 CO -0.08 0.55 -0.09 0.54 -0.54 0.00 0.00 175.26 175.64 2pso s VAL 959 N -0.53 0.79 -1.31 3.70 0.11 0.12 -4.91 120.40 118.36 2pso s VAL 959 Ca 0.20 -0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 2pso s VAL 959 Cb -0.15 -0.71 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2pso s VAL 959 CO 0.09 0.25 2.44 -0.62 -3.33 0.00 0.00 175.10 173.93 2pso n GLU 960 N 3.35 2.83 -3.60 1.54 -0.58 -1.26 -0.97 120.64 121.95 2pso n GLU 960 Ca -0.19 -2.10 -0.04 0.00 -0.42 0.00 0.00 57.16 54.41 2pso n GLU 960 Cb 0.54 -2.88 -0.02 0.00 -0.57 0.00 0.00 31.44 28.51 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 3.10 -2.10 0.63 0.62 0.00 -1.24 -4.95 121.76 117.82 2pso s ALA 961 Ca 0.55 1.63 -0.18 0.00 0.00 0.00 0.00 51.96 53.96 2pso s ALA 961 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2pso s ALA 961 CO -0.04 -0.60 1.25 -2.14 0.00 0.00 0.00 175.76 174.23 2pso s PRO 962 N -2.35 2.67 0.13 0.00 0.02 -1.04 -3.17 135.00 131.26 2pso s PRO 962 Ca 0.10 1.95 -0.32 0.00 0.02 0.00 0.00 61.00 62.74 2pso s PRO 962 Cb -0.01 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 2pso s PRO 962 CO -0.04 -1.47 1.54 -1.35 -0.33 0.00 0.00 177.00 175.35 2pso h PRO 963 N 0.59 -0.34 -0.48 5.54 0.11 -1.88 -1.17 132.00 134.37 2pso h PRO 963 Ca -0.50 0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.75 2pso h PRO 963 Cb 1.32 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.48 2pso h PRO 963 CO 0.54 -0.23 0.33 0.66 -0.21 0.00 0.00 178.00 179.09 2pso h SER 964 N -0.35 0.10 -0.26 -2.05 4.64 -1.92 0.22 113.55 113.94 2pso h SER 964 Ca 0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 2pso h SER 964 Cb 0.57 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2pso h SER 964 CO -0.63 0.06 -0.47 0.58 -0.87 0.00 0.00 176.83 175.50 2pso h VAL 965 N 0.12 1.28 -0.29 0.95 2.07 -1.60 -1.74 116.25 117.04 2pso h VAL 965 Ca 0.23 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2pso h VAL 965 Cb 0.74 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2pso h VAL 965 CO -0.03 0.54 -0.17 0.58 0.02 0.00 0.00 177.57 178.52 2pso h VAL 966 N 0.66 1.24 0.92 2.57 2.07 0.07 -1.29 116.25 122.50 2pso h VAL 966 Ca 0.03 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2pso h VAL 966 Cb 1.06 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2pso h VAL 966 CO 0.11 0.36 -0.44 0.25 0.02 0.00 0.00 177.57 177.87 2pso h LEU 967 N 0.46 -1.05 -0.87 2.57 6.46 -0.89 0.69 115.31 122.69 2pso h LEU 967 Ca 0.08 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 2pso h LEU 967 Cb 0.56 0.27 -0.09 0.00 -0.73 0.00 0.00 40.66 40.68 2pso h LEU 967 CO 0.04 -0.75 0.48 -1.13 -0.62 0.00 0.00 178.44 176.45 2pso h ASN 968 N -1.24 0.63 -0.04 1.25 -1.24 -1.20 0.26 115.58 114.00 2pso h ASN 968 Ca -0.13 0.07 0.04 0.00 0.71 0.00 0.00 56.30 56.99 2pso h ASN 968 Cb 0.95 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.92 2pso h ASN 968 CO 0.21 0.30 -0.23 -0.09 -1.29 0.00 0.00 177.43 176.33 2pso h ARG 969 N 0.72 -0.32 -0.63 6.67 9.65 -0.97 0.11 114.38 129.62 2pso h ARG 969 Ca 0.45 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.31 2pso h ARG 969 Cb 0.56 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 2pso h ARG 969 CO -0.32 -0.22 0.21 0.28 2.80 0.00 0.00 179.97 182.73 2pso h VAL 970 N -0.34 1.24 -0.20 0.20 2.07 0.14 -2.65 116.25 116.71 2pso h VAL 970 Ca 0.07 -0.81 -0.21 0.00 0.82 0.00 0.00 66.70 66.58 2pso h VAL 970 Cb 0.44 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2pso h VAL 970 CO -0.24 0.31 -0.70 0.25 0.02 0.00 0.00 177.57 177.21 2pso h LEU 971 N 0.89 0.96 -0.72 2.57 6.46 -0.38 -3.39 115.31 121.69 2pso h LEU 971 Ca 0.20 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2pso h LEU 971 Cb 0.26 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2pso h LEU 971 CO -0.01 1.39 0.00 0.54 -0.62 0.00 0.00 178.44 179.74 2pso n ARG 972 N -3.96 -0.22 -2.41 1.25 5.12 0.01 -4.84 116.66 111.61 2pso n ARG 972 Ca -0.06 -0.36 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 2pso n ARG 972 Cb 0.71 -0.75 0.05 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.04 1.19 0.28 5.56 1.02 -1.00 -4.91 120.64 122.74 2pso n GLU 973 Ca 0.00 -2.74 0.15 0.00 -0.02 0.00 0.00 57.16 54.56 2pso n GLU 973 Cb 0.16 -0.86 0.83 0.00 -0.02 0.00 0.00 31.44 31.54 2pso n GLU 973 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2pso h ARG 974 N 1.89 0.00 0.00 3.49 2.43 -1.76 -1.43 114.38 119.00 2pso h ARG 974 Ca -0.22 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2pso h ARG 974 Cb 1.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2pso h ARG 974 CO 0.09 0.07 -0.06 1.12 -1.51 0.00 0.00 179.97 179.68 2pso h HIS 975 N 0.00 0.00 0.00 2.20 2.07 -1.89 0.31 115.15 117.84 2pso h HIS 975 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2pso h HIS 975 Cb 0.26 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.23 2pso h HIS 975 CO 0.00 0.06 -0.15 -0.07 -3.07 0.00 0.00 177.93 174.70 2pso h LEU 976 N 0.00 0.00 -2.49 6.12 4.07 -1.64 -3.36 115.31 118.00 2pso h LEU 976 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2pso h LEU 976 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2pso h LEU 976 CO 0.01 0.15 -0.25 -2.67 -1.08 0.00 0.00 178.44 174.60 2pso n TRP 977 N -3.26 0.00 -3.35 1.13 4.27 -0.06 -4.79 117.44 111.38 2pso n TRP 977 Ca 0.01 -0.49 -0.10 0.00 -3.89 0.00 0.00 57.50 53.03 2pso n TRP 977 Cb 0.43 -0.10 -0.08 0.00 -1.36 0.00 0.00 31.31 30.20 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 -1.92 0.32 0.52 -0.67 2.15 -0.29 -4.58 116.67 112.20 2pso s ASP 978 Ca 0.16 0.12 0.23 0.00 0.43 0.00 0.00 52.55 53.49 2pso s ASP 978 Cb 0.14 1.08 1.41 0.00 -0.30 0.00 0.00 42.92 45.24 2pso s ASP 978 CO 0.01 -0.31 2.10 -0.33 -0.17 0.00 0.00 175.17 176.48 2pso h GLU 979 N 8.19 0.00 -0.02 4.34 5.08 -1.87 -3.08 114.58 127.23 2pso h GLU 979 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2pso h GLU 979 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2pso h GLU 979 CO 0.27 0.10 -0.14 -0.25 -1.00 0.00 0.00 179.01 177.99 2pso n ASP 980 N -3.95 1.84 -4.55 1.42 8.00 -1.26 -4.84 116.55 113.21 2pso n ASP 980 Ca -0.02 -1.48 -0.40 0.00 0.71 0.00 0.00 54.79 53.60 2pso n ASP 980 Cb 0.19 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.20 2.26 -0.21 1.24 5.36 -1.16 -1.43 117.98 121.84 2pso s PHE 981 Ca 0.29 -0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 2pso s PHE 981 Cb 0.20 -4.58 -0.13 0.00 -0.34 0.00 0.00 43.02 38.17 2pso s PHE 981 CO 0.41 -2.06 -0.20 0.28 -1.46 0.00 0.00 175.22 172.19 2pso n VAL 982 N 6.62 1.20 -4.29 3.12 0.31 -0.27 -4.87 118.33 120.15 2pso n VAL 982 Ca 0.13 -0.43 -0.20 0.00 -0.01 0.00 0.00 64.34 63.83 2pso n VAL 982 Cb 0.50 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.99 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 -2.41 1.15 -0.08 5.55 -0.21 -1.24 -4.98 119.66 117.43 2pso s GLN 983 Ca -0.29 -1.32 -0.32 0.00 0.02 0.00 0.00 55.36 53.45 2pso s GLN 983 Cb 0.08 -1.11 0.12 0.00 1.00 0.00 0.00 33.01 33.10 2pso s GLN 983 CO 0.47 0.22 1.17 1.67 -2.12 0.00 0.00 175.29 176.69 2pso s TRP 984 N -2.11 -0.13 -0.25 0.91 -2.14 -1.26 -1.86 118.94 112.10 2pso s TRP 984 Ca 0.12 0.03 -0.27 0.00 2.66 0.00 0.00 56.10 58.64 2pso s TRP 984 Cb -0.05 0.54 0.16 0.00 -3.10 0.00 0.00 33.47 31.01 2pso s TRP 984 CO 0.05 -0.33 1.19 -1.59 -2.66 0.00 0.00 176.95 173.61 2pso s LYS 985 N -2.60 0.33 -0.01 3.25 -2.85 -0.44 -4.99 119.74 112.43 2pso s LYS 985 Ca 0.10 0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.99 2pso s LYS 985 Cb 0.01 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 35.87 2pso s LYS 985 CO -0.04 -0.07 1.72 0.08 0.10 0.00 0.00 175.35 177.14 2pso s VAL 986 N -0.48 3.36 0.13 1.79 1.01 -1.26 -1.74 120.40 123.21 2pso s VAL 986 Ca 0.04 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2pso s VAL 986 Cb -0.03 -3.33 -0.19 0.00 0.00 0.00 0.00 36.38 32.83 2pso s VAL 986 CO -0.07 -0.04 1.30 0.58 0.00 0.00 0.00 175.10 176.87 2pso h VAL 987 N 5.45 1.52 -1.69 2.92 2.07 -1.18 -3.48 116.25 121.85 2pso h VAL 987 Ca -0.42 -2.82 0.04 0.00 0.82 0.00 0.00 66.70 64.32 2pso h VAL 987 Cb 1.20 2.63 -0.24 0.00 -1.52 0.00 0.00 31.29 33.36 2pso h VAL 987 CO 0.95 0.82 0.40 -0.70 0.02 0.00 0.00 177.57 179.06 2pso s GLU 988 N -3.01 0.61 -0.17 1.57 2.12 -1.04 -4.98 118.70 113.80 2pso s GLU 988 Ca -0.03 0.56 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2pso s GLU 988 Cb 0.09 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 2pso s GLU 988 CO 0.84 -0.11 -0.02 0.99 -0.54 0.00 0.00 175.26 176.43 2pso s THR 989 N -0.08 3.99 -0.04 -1.70 2.01 -1.26 -0.95 115.64 117.61 2pso s THR 989 Ca 0.01 -0.32 0.14 0.00 0.31 0.00 0.00 61.69 61.83 2pso s THR 989 Cb -0.04 -2.77 -0.21 0.00 0.01 0.00 0.00 72.50 69.49 2pso s THR 989 CO -0.03 0.47 0.27 0.18 -0.69 0.00 0.00 174.62 174.83 2pso n LEU 990 N 3.76 0.00 0.00 4.42 4.77 -0.21 -5.00 117.00 124.74 2pso n LEU 990 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2pso n LEU 990 Cb 0.52 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2pso n LEU 990 CO 0.33 0.05 0.00 -0.90 -1.33 0.00 0.00 177.39 175.54 2pso n ASP 991 N -2.07 0.00 0.00 -1.43 5.68 -0.83 -4.89 116.55 113.01 2pso n ASP 991 Ca -0.05 -0.87 0.04 0.00 -0.50 0.00 0.00 54.79 53.41 2pso n ASP 991 Cb 0.46 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.61 2pso n ASP 991 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2pso n ARG 992 N 0.00 0.02 0.00 0.11 -4.01 -1.26 -3.07 116.66 108.46 2pso n ARG 992 Ca 0.00 0.33 0.00 0.00 -1.04 0.00 0.00 57.85 57.14 2pso n ARG 992 Cb 0.00 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 27.92 2pso n ARG 992 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2pso n GLN 993 N -1.46 0.12 -4.13 2.89 6.02 -1.26 -5.06 117.38 114.51 2pso n GLN 993 Ca 0.02 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2pso n GLN 993 Cb 0.09 -0.37 -0.14 0.00 1.02 0.00 0.00 30.24 30.83 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 -0.02 0.37 0.22 5.09 -4.23 -1.17 -1.64 115.64 114.25 2pso s THR 994 Ca 0.00 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.13 2pso s THR 994 Cb 0.00 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.53 2pso s THR 994 CO 0.00 0.09 0.48 -1.83 -0.54 0.00 0.00 174.62 172.82 2pso s GLU 995 N -0.16 1.44 -0.12 3.99 -1.05 0.11 -1.04 118.70 121.87 2pso s GLU 995 Ca 0.01 -1.07 -0.01 0.00 -0.15 0.00 0.00 54.97 53.76 2pso s GLU 995 Cb -0.02 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2pso s GLU 995 CO -0.00 -0.60 -0.10 0.42 0.95 0.00 0.00 175.26 175.93 2pso s ILE 996 N -3.95 3.34 -0.05 1.83 1.01 -0.12 -0.68 121.20 122.57 2pso s ILE 996 Ca 0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2pso s ILE 996 Cb -0.01 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.07 2pso s ILE 996 CO 0.03 0.53 0.13 -0.47 0.00 0.00 0.00 174.94 175.16 2pso s TYR 997 N 0.15 -0.14 0.01 3.97 5.04 -0.32 -0.57 117.35 125.48 2pso s TYR 997 Ca -0.05 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 54.98 2pso s TYR 997 Cb -0.15 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.20 2pso s TYR 997 CO 0.04 -0.07 -0.16 -1.14 -1.34 0.00 0.00 175.55 172.88 2pso s GLN 998 N 0.05 1.18 0.20 4.97 0.74 -0.71 -0.34 119.66 125.74 2pso s GLN 998 Ca -0.00 -0.69 -0.20 0.00 0.05 0.00 0.00 55.36 54.51 2pso s GLN 998 Cb -0.01 -1.19 0.04 0.00 1.10 0.00 0.00 33.01 32.95 2pso s GLN 998 CO 0.00 0.31 0.60 1.52 -0.55 0.00 0.00 175.29 177.17 2pso s TYR 999 N -0.60 -0.30 -0.04 1.67 -0.85 -0.71 -1.33 117.35 115.20 2pso s TYR 999 Ca 0.05 -0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 2pso s TYR 999 Cb -0.07 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.80 2pso s TYR 999 CO 0.00 -0.96 -0.10 0.08 -1.52 0.00 0.00 175.55 173.05 2pso s VAL 1000N -3.84 0.91 -0.14 -3.49 1.01 -0.77 -1.03 120.40 113.05 2pso s VAL 1000Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2pso s VAL 1000Cb -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2pso s VAL 1000CO -0.05 0.29 -0.12 -0.76 0.00 0.00 0.00 175.10 174.46 2pso s LEU 1001N 0.40 2.75 0.34 3.92 1.43 -0.44 -1.11 118.68 125.97 2pso s LEU 1001Ca -0.07 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 2pso s LEU 1001Cb -0.12 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 2pso s LEU 1001CO 0.01 0.15 1.30 0.20 0.23 0.00 0.00 176.35 178.25 2pso s ASN 1002N 0.42 6.71 0.42 2.29 0.02 -0.51 -0.98 114.94 123.30 2pso s ASN 1002Ca -0.10 2.68 0.07 0.00 -1.02 0.00 0.00 52.86 54.49 2pso s ASN 1002Cb -0.16 -2.65 0.01 0.00 0.02 0.00 0.00 41.25 38.47 2pso s ASN 1002CO 0.05 -0.58 0.57 -0.44 0.02 0.00 0.00 177.10 176.72 2pso s SER 1003N -0.54 5.69 0.83 -1.22 0.01 -1.26 -4.87 113.70 112.34 2pso s SER 1003Ca 0.50 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2pso s SER 1003Cb -0.39 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.08 2pso s SER 1003CO 0.52 -0.73 1.10 0.00 0.41 0.00 0.00 173.24 174.54 2pso s MET 1004N -4.36 1.80 4.45 12.44 0.23 -1.26 -4.72 119.30 127.87 2pso s MET 1004Ca 0.53 1.10 0.00 0.00 -1.03 0.00 0.00 55.69 56.28 2pso s MET 1004Cb -0.10 -1.85 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 2pso s MET 1004CO 0.33 -1.94 0.00 0.00 -2.03 0.00 0.00 175.02 171.38 2pso n ALA 1005N -3.72 0.00 -0.80 3.16 0.00 -1.26 -2.30 120.51 115.60 2pso n ALA 1005Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2pso n ALA 1005Cb 0.54 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.23 2pso n ALA 1005CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pso n PRO 1006N 14.00 3.10 -3.21 0.00 -0.04 -1.26 -4.95 135.00 142.64 2pso n PRO 1006Ca 0.00 -2.66 -0.35 0.00 -0.04 0.00 0.00 63.50 60.45 2pso n PRO 1006Cb 0.00 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 2pso n PRO 1006CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2pso s HIS 1007N -2.71 3.58 0.58 0.54 3.76 -0.97 -5.04 115.29 115.04 2pso s HIS 1007Ca 0.48 1.22 -0.19 0.00 -0.15 0.00 0.00 55.06 56.43 2pso s HIS 1007Cb 0.39 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2pso s HIS 1007CO 0.11 0.33 1.17 -2.14 -0.85 0.00 0.00 174.74 173.36 2pso s PRO 1008N -2.16 3.08 0.64 8.40 0.02 -1.26 -4.34 135.00 139.38 2pso s PRO 1008Ca 0.43 1.71 -0.18 0.00 0.02 0.00 0.00 61.00 62.98 2pso s PRO 1008Cb -0.15 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 2pso s PRO 1008CO 0.20 -1.09 1.29 -1.54 -0.33 0.00 0.00 177.00 175.53 2pso s SER 1009N -1.75 4.63 -0.10 2.53 1.04 -1.26 -4.30 113.70 114.49 2pso s SER 1009Ca 0.75 2.61 -0.04 0.00 0.48 0.00 0.00 55.95 59.74 2pso s SER 1009Cb -0.27 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.20 2pso s SER 1009CO 0.32 -1.99 0.07 -0.13 0.98 0.00 0.00 173.24 172.49 2pso s ARG 1010N -3.38 3.22 -0.18 4.02 1.81 -0.15 -1.66 118.95 122.63 2pso s ARG 1010Ca 0.82 -0.26 -0.06 0.00 -1.72 0.00 0.00 55.73 54.51 2pso s ARG 1010Cb -0.37 -3.00 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 2pso s ARG 1010CO 0.39 0.74 0.02 0.34 -0.68 0.00 0.00 175.30 176.11 2pso s ASP 1011N -0.96 5.18 -0.24 0.23 2.15 0.24 -1.33 116.67 121.95 2pso s ASP 1011Ca 0.14 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.09 2pso s ASP 1011Cb -0.12 -1.87 0.06 0.00 -0.30 0.00 0.00 42.92 40.68 2pso s ASP 1011CO 0.03 0.15 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.73 2pso s PHE 1012N 0.52 2.76 -0.39 -5.34 0.40 -0.20 -1.55 117.98 114.18 2pso s PHE 1012Ca 0.00 -1.95 -0.11 0.00 -0.60 0.00 0.00 56.93 54.27 2pso s PHE 1012Cb -0.14 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.69 2pso s PHE 1012CO 0.02 -0.81 0.23 0.08 0.70 0.00 0.00 175.22 175.44 2pso s VAL 1013N 1.28 4.59 -0.08 -0.44 1.01 -1.26 -1.73 120.40 123.76 2pso s VAL 1013Ca -0.06 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2pso s VAL 1013Cb -0.19 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2pso s VAL 1013CO -0.06 -0.31 -0.19 0.54 0.00 0.00 0.00 175.10 175.08 2pso s VAL 1014N 1.54 1.63 -0.05 2.92 0.11 0.53 -0.92 120.40 126.17 2pso s VAL 1014Ca 0.02 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.00 2pso s VAL 1014Cb -0.20 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2pso s VAL 1014CO 0.06 0.46 1.22 -0.22 -3.33 0.00 0.00 175.10 173.30 2pso s LEU 1015N 0.46 4.28 0.02 2.54 2.96 0.06 -1.18 118.68 127.83 2pso s LEU 1015Ca -0.16 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.63 2pso s LEU 1015Cb -0.17 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2pso s LEU 1015CO 0.06 -0.60 -0.08 0.00 -1.32 0.00 0.00 176.35 174.42 2pso s ARG 1016N 2.21 0.58 0.02 1.98 1.70 0.14 -1.07 118.95 124.51 2pso s ARG 1016Ca 0.57 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 2pso s ARG 1016Cb -0.26 -0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 33.62 2pso s ARG 1016CO 0.23 0.12 -0.03 -0.08 -1.08 0.00 0.00 175.30 174.45 2pso s THR 1017N -0.72 0.16 0.07 4.99 -1.32 -0.55 -0.71 115.64 117.56 2pso s THR 1017Ca -0.02 -0.84 0.01 0.00 -1.21 0.00 0.00 61.69 59.62 2pso s THR 1017Cb -0.06 -0.28 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 2pso s THR 1017CO 0.00 -0.43 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.27 2pso s TRP 1018N -1.30 0.70 -0.02 9.09 -2.14 -0.65 -0.45 118.94 124.16 2pso s TRP 1018Ca -0.14 -0.89 0.01 0.00 2.66 0.00 0.00 56.10 57.74 2pso s TRP 1018Cb -0.09 -0.44 0.01 0.00 -3.10 0.00 0.00 33.47 29.86 2pso s TRP 1018CO -0.01 -0.22 -0.02 0.21 -2.66 0.00 0.00 176.95 174.25 2pso s LYS 1019N -3.42 0.34 -0.00 3.25 2.47 -0.23 -4.87 119.74 117.28 2pso s LYS 1019Ca 0.06 -0.02 0.03 0.00 -1.56 0.00 0.00 55.97 54.47 2pso s LYS 1019Cb 0.03 -0.43 -0.05 0.00 -1.46 0.00 0.00 37.83 35.93 2pso s LYS 1019CO -0.06 -0.04 0.09 0.25 0.16 0.00 0.00 175.35 175.75 2pso n THR 1020N 3.66 0.00 -3.88 3.43 -2.24 -1.26 -2.36 114.28 111.63 2pso n THR 1020Ca -0.21 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 2pso n THR 1020Cb 0.54 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 2pso n THR 1020CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2pso s ASP 1021N -2.03 4.82 0.29 3.42 1.47 -1.26 -4.72 116.67 118.66 2pso s ASP 1021Ca -0.00 -3.59 0.11 0.00 1.18 0.00 0.00 52.55 50.25 2pso s ASP 1021Cb 0.02 -1.67 -0.05 0.00 -0.34 0.00 0.00 42.92 40.88 2pso s ASP 1021CO 0.13 -0.14 -0.14 -0.76 0.68 0.00 0.00 175.17 174.94 2pso s LEU 1022N -1.09 2.73 -0.03 2.11 1.43 -1.25 -4.99 118.68 117.59 2pso s LEU 1022Ca 0.23 -0.98 -0.39 0.00 -1.03 0.00 0.00 54.13 51.95 2pso s LEU 1022Cb -0.11 -1.21 -0.18 0.00 0.03 0.00 0.00 46.19 44.72 2pso s LEU 1022CO -0.11 -0.01 1.29 -0.81 0.23 0.00 0.00 176.35 176.94 2pso n PRO 1023N -0.71 0.59 -2.24 1.29 -0.04 -1.26 -1.38 135.00 131.25 2pso n PRO 1023Ca -0.05 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2pso n PRO 1023Cb 0.60 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2pso n PRO 1023CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2pso n LYS 1024N 2.51 -1.09 -3.68 0.54 -0.00 -1.26 -3.70 118.16 111.48 2pso n LYS 1024Ca 0.21 0.67 -0.23 0.00 -0.00 0.00 0.00 58.31 58.96 2pso n LYS 1024Cb 0.12 -4.92 0.05 0.00 -0.00 0.00 0.00 35.03 30.28 2pso n LYS 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pso n GLY 1025N -1.02 -0.39 3.91 2.58 0.00 -0.48 -4.52 105.19 105.27 2pso n GLY 1025Ca -0.16 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.06 3.56 -0.04 1.61 1.00 -1.22 -4.46 119.30 113.68 2pso s MET 1026Ca 0.24 0.02 0.03 0.00 0.00 0.00 0.00 55.69 55.99 2pso s MET 1026Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 34.83 32.20 2pso s MET 1026CO 0.79 -0.00 -0.11 0.00 0.00 0.00 0.00 175.02 175.69 2pso s THR 1028N 0.31 1.46 -0.14 0.00 -4.23 -1.00 -0.14 115.64 111.89 2pso s THR 1028Ca -0.06 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2pso s THR 1028Cb -0.11 -1.31 0.04 0.00 1.34 0.00 0.00 72.50 72.46 2pso s THR 1028CO 0.02 0.06 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.89 2pso s LEU 1029N -1.35 1.38 -0.09 4.79 2.96 -0.65 -1.07 118.68 124.64 2pso s LEU 1029Ca 0.05 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2pso s LEU 1029Cb -0.09 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.79 2pso s LEU 1029CO 0.02 -0.18 -0.14 0.68 -1.32 0.00 0.00 176.35 175.41 2pso s VAL 1030N 1.70 1.38 0.15 1.68 -7.23 0.40 -0.38 120.40 118.10 2pso s VAL 1030Ca 0.02 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2pso s VAL 1030Cb -0.14 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2pso s VAL 1030CO -0.08 0.41 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.66 2pso s SER 1031N 0.84 1.30 -0.26 4.85 0.01 -0.45 -1.48 113.70 118.52 2pso s SER 1031Ca -0.10 -1.11 -0.26 0.00 1.31 0.00 0.00 55.95 55.79 2pso s SER 1031Cb -0.15 0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.28 2pso s SER 1031CO 0.01 -0.50 1.01 -1.48 0.41 0.00 0.00 173.24 172.69 2pso s LEU 1032N -3.14 -0.45 0.27 2.44 0.05 -0.24 -3.06 118.68 114.55 2pso s LEU 1032Ca 0.20 0.83 -0.31 0.00 0.05 0.00 0.00 54.13 54.90 2pso s LEU 1032Cb 0.05 1.91 -0.12 0.00 -2.05 0.00 0.00 46.19 45.99 2pso s LEU 1032CO 0.01 -0.19 1.61 -1.20 -0.55 0.00 0.00 176.35 176.03 2pso n SER 1033N 2.01 3.81 -0.76 1.48 7.64 -0.33 -0.76 113.62 126.71 2pso n SER 1033Ca -0.12 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2pso n SER 1033Cb 0.56 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2pso n SER 1033CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2pso n VAL 1034N 2.47 0.00 -4.01 0.44 0.24 -0.10 -4.78 118.33 112.59 2pso n VAL 1034Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.28 2pso n VAL 1034Cb 0.36 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.78 0.34 -0.00 7.34 2.02 -1.26 -4.66 118.70 121.70 2pso s GLU 1035Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 2pso s GLU 1035Cb 0.00 -0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.11 2pso s GLU 1035CO 0.00 0.02 0.06 -1.58 0.02 0.00 0.00 175.26 173.78 2pso s HIS 1036N -0.95 0.08 0.41 1.61 2.46 -1.26 -5.04 115.29 112.60 2pso s HIS 1036Ca -0.08 -0.17 0.22 0.00 0.47 0.00 0.00 55.06 55.49 2pso s HIS 1036Cb -0.07 -0.08 1.22 0.00 -0.13 0.00 0.00 32.58 33.52 2pso s HIS 1036CO -0.00 -0.18 2.01 1.05 -2.47 0.00 0.00 174.74 175.15 2pso h GLU 1037N 4.93 0.00 -1.03 2.88 9.09 -2.01 -2.56 114.58 125.88 2pso h GLU 1037Ca -0.29 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.59 2pso h GLU 1037Cb 1.20 0.00 -0.28 0.00 -1.65 0.00 0.00 28.75 28.02 2pso h GLU 1037CO 0.42 0.17 0.68 0.39 0.05 0.00 0.00 179.01 180.72 2pso n GLU 1038N -3.90 2.29 -3.24 1.06 1.02 -1.26 -4.56 120.64 112.06 2pso n GLU 1038Ca -0.02 -2.86 -0.24 0.00 -0.02 0.00 0.00 57.16 54.02 2pso n GLU 1038Cb 0.26 -2.12 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 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 -0.91 2.89 -2.13 0.62 0.00 -0.97 -4.96 120.51 115.06 2pso n ALA 1039Ca 0.56 -3.80 -0.30 0.00 0.00 0.00 0.00 53.44 49.90 2pso n ALA 1039Cb 1.24 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2pso n ALA 1039CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2pso s GLN 1040N -1.67 3.79 -0.34 0.00 -2.07 -1.26 -4.73 119.66 113.37 2pso s GLN 1040Ca 0.37 0.54 -0.37 0.00 -1.82 0.00 0.00 55.36 54.08 2pso s GLN 1040Cb 0.18 -2.34 -0.13 0.00 -1.09 0.00 0.00 33.01 29.63 2pso s GLN 1040CO -0.08 -0.09 2.10 -0.11 -1.32 0.00 0.00 175.29 175.79 2pso n LEU 1041N -1.42 2.10 -0.04 2.60 7.94 -1.26 -4.81 117.00 122.11 2pso n LEU 1041Ca 0.03 0.56 0.03 0.00 -1.11 0.00 0.00 56.01 55.53 2pso n LEU 1041Cb 0.54 -1.21 -0.16 0.00 0.53 0.00 0.00 43.42 43.12 2pso n LEU 1041CO 0.48 -0.66 -0.88 0.18 -1.11 0.00 0.00 177.39 175.40 2pso n LEU 1042N 8.80 0.00 0.00 -1.96 4.32 -1.26 -5.02 117.00 121.88 2pso n LEU 1042Ca 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.28 2pso n LEU 1042Cb 0.19 0.17 -0.01 0.00 -1.62 0.00 0.00 43.42 42.15 2pso n LEU 1042CO 0.78 0.17 -0.04 0.61 -1.22 0.00 0.00 177.39 177.69 2pso n GLY 1043N 1.50 3.55 0.38 -0.72 0.00 -1.26 -5.05 105.19 103.60 2pso n GLY 1043Ca -0.14 -2.25 -0.18 0.00 0.00 0.00 0.00 46.02 43.46 2pso n GLY 1043CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pso h GLY 1044N 0.35 -0.97 -4.09 -0.02 0.00 -1.65 -3.45 103.07 93.23 2pso h GLY 1044Ca -0.14 0.36 -0.68 0.00 0.00 0.00 0.00 47.33 46.87 2pso h GLY 1044CO 0.22 -0.35 -0.87 0.14 0.00 0.00 0.00 176.54 175.68 2pso s VAL 1045N -6.03 2.17 -0.26 4.60 1.01 -0.66 -4.97 120.40 116.26 2pso s VAL 1045Ca -0.18 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 2pso s VAL 1045Cb 0.03 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2pso s VAL 1045CO 0.62 0.19 0.77 -0.13 0.00 0.00 0.00 175.10 176.55 2pso s ARG 1046N -1.71 4.11 0.43 2.72 1.81 -1.26 0.83 118.95 125.88 2pso s ARG 1046Ca 0.13 0.76 -0.25 0.00 -1.72 0.00 0.00 55.73 54.65 2pso s ARG 1046Cb -0.10 -3.67 -0.08 0.00 -0.45 0.00 0.00 34.95 30.66 2pso s ARG 1046CO 0.04 -0.53 1.23 0.00 -0.68 0.00 0.00 175.30 175.36 2pso s ALA 1047N 2.78 3.12 -0.27 2.13 0.00 -0.60 -4.50 121.76 124.43 2pso s ALA 1047Ca 0.32 1.08 -0.08 0.00 0.00 0.00 0.00 51.96 53.28 2pso s ALA 1047Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2pso s ALA 1047CO 0.09 -0.73 0.09 0.08 0.00 0.00 0.00 175.76 175.29 2pso s VAL 1048N -1.38 4.29 -0.48 0.00 1.01 -0.53 -4.70 120.40 118.61 2pso s VAL 1048Ca 0.60 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2pso s VAL 1048Cb -0.33 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.01 2pso s VAL 1048CO 0.42 0.22 0.47 -0.69 0.00 0.00 0.00 175.10 175.52 2pso s VAL 1049N 1.59 5.10 0.03 2.92 1.01 -1.26 -1.00 120.40 128.79 2pso s VAL 1049Ca 0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2pso s VAL 1049Cb -0.16 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.75 2pso s VAL 1049CO 0.04 -0.64 0.99 0.24 0.00 0.00 0.00 175.10 175.73 2pso h MET 1050N 8.83 0.34 -2.62 2.72 2.86 -1.41 -0.86 114.93 124.80 2pso h MET 1050Ca -0.28 -0.57 -0.11 0.00 -2.06 0.00 0.00 59.70 56.67 2pso h MET 1050Cb 1.11 0.21 -0.27 0.00 0.06 0.00 0.00 31.60 32.71 2pso h MET 1050CO 0.90 1.25 -0.33 -0.51 1.06 0.00 0.00 176.91 179.27 2pso s ASP 1051N -7.21 -0.40 -0.15 1.22 1.11 -0.76 -4.89 116.67 105.59 2pso s ASP 1051Ca -0.07 0.91 -0.08 0.00 0.18 0.00 0.00 52.55 53.48 2pso s ASP 1051Cb 0.06 0.94 0.06 0.00 1.07 0.00 0.00 42.92 45.04 2pso s ASP 1051CO 0.89 -0.21 0.36 -0.55 1.18 0.00 0.00 175.17 176.84 2pso s SER 1052N 1.80 -0.43 -0.06 0.27 0.15 -1.17 0.11 113.70 114.37 2pso s SER 1052Ca -0.07 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 2pso s SER 1052Cb -0.10 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2pso s SER 1052CO -0.13 -0.19 0.12 0.00 1.20 0.00 0.00 173.24 174.25 2pso s GLN 1053N 1.38 0.04 -0.12 5.44 0.00 0.39 -1.34 119.66 125.45 2pso s GLN 1053Ca -0.09 0.40 -0.18 0.00 -0.00 0.00 0.00 55.36 55.49 2pso s GLN 1053Cb -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 33.01 32.63 2pso s GLN 1053CO -0.11 -0.22 0.46 0.71 0.00 0.00 0.00 175.29 176.13 2pso s TYR 1054N 1.56 3.51 -0.21 9.60 1.51 0.49 -1.59 117.35 132.21 2pso s TYR 1054Ca -0.05 0.86 0.02 0.00 -1.01 0.00 0.00 57.07 56.89 2pso s TYR 1054Cb -0.12 -2.53 0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2pso s TYR 1054CO -0.05 0.17 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.89 2pso s LEU 1055N 0.62 2.65 -0.38 -1.29 1.43 0.26 -1.64 118.68 120.33 2pso s LEU 1055Ca 0.25 -0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2pso s LEU 1055Cb -0.15 -1.51 0.10 0.00 0.03 0.00 0.00 46.19 44.67 2pso s LEU 1055CO 0.10 -0.07 0.14 -0.63 0.23 0.00 0.00 176.35 176.11 2pso s ILE 1056N 1.22 2.91 0.03 -0.59 1.01 0.80 -0.91 121.20 125.67 2pso s ILE 1056Ca -0.00 -2.15 0.01 0.00 0.00 0.00 0.00 60.65 58.51 2pso s ILE 1056Cb -0.16 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2pso s ILE 1056CO -0.10 -0.64 0.10 -1.83 0.00 0.00 0.00 174.94 172.47 2pso s GLU 1057N 1.06 3.08 0.57 2.79 -1.05 -0.48 -0.81 118.70 123.85 2pso s GLU 1057Ca 0.09 -0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 54.22 2pso s GLU 1057Cb -0.21 -2.85 -0.05 0.00 -0.44 0.00 0.00 34.13 30.57 2pso s GLU 1057CO -0.06 0.62 1.03 -2.14 0.95 0.00 0.00 175.26 175.66 2pso s PRO 1058N -2.05 3.56 -0.26 -4.83 0.02 -1.26 0.07 135.00 130.25 2pso s PRO 1058Ca 0.27 1.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.10 2pso s PRO 1058Cb -0.12 -2.07 0.10 0.00 0.02 0.00 0.00 34.50 32.42 2pso s PRO 1058CO 0.18 -0.60 0.88 0.00 -0.33 0.00 0.00 177.00 177.13 2pso n GLY 1060N 2.26 -2.12 2.95 0.00 0.00 -1.26 -3.14 105.19 103.87 2pso n GLY 1060Ca -0.13 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2pso n GLY 1060CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pso n SER 1061N -1.81 3.63 0.00 1.61 2.88 -1.26 -3.80 113.62 114.87 2pso n SER 1061Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2pso n SER 1061Cb 0.18 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 2pso n SER 1061CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pso n GLY 1062N 4.42 0.78 4.01 0.46 0.00 -1.26 -5.09 105.19 108.51 2pso n GLY 1062Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 2pso n GLY 1062CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pso s LYS 1063N -0.94 2.16 -0.04 1.61 2.36 -1.19 -2.51 119.74 121.19 2pso s LYS 1063Ca 0.00 -1.25 -0.03 0.00 -2.55 0.00 0.00 55.97 52.13 2pso s LYS 1063Cb 0.00 -2.51 0.01 0.00 -1.05 0.00 0.00 37.83 34.28 2pso s LYS 1063CO 0.00 -1.00 0.10 -1.12 1.55 0.00 0.00 175.35 174.88 2pso s SER 1064N -4.62 -0.09 -0.24 1.43 0.01 -0.14 -2.25 113.70 107.80 2pso s SER 1064Ca 0.62 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.88 2pso s SER 1064Cb -0.07 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 2pso s SER 1064CO 0.40 -0.05 0.51 0.00 0.41 0.00 0.00 173.24 174.51 2pso s ARG 1065N -0.01 4.12 -0.18 12.44 1.70 0.11 0.13 118.95 137.25 2pso s ARG 1065Ca -0.01 0.35 -0.04 0.00 -0.47 0.00 0.00 55.73 55.56 2pso s ARG 1065Cb -0.01 -3.62 -0.02 0.00 -0.57 0.00 0.00 34.95 30.73 2pso s ARG 1065CO 0.00 -0.27 -0.04 -1.17 -1.08 0.00 0.00 175.30 172.75 2pso s LEU 1066N 2.03 3.14 -0.09 -1.89 2.96 -0.21 -1.39 118.68 123.24 2pso s LEU 1066Ca 0.22 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2pso s LEU 1066Cb -0.15 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.78 2pso s LEU 1066CO 0.09 0.11 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.22 2pso s THR 1067N 0.72 1.20 -0.12 3.68 2.01 -0.09 -2.13 115.64 120.91 2pso s THR 1067Ca -0.02 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2pso s THR 1067Cb -0.14 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2pso s THR 1067CO 0.02 0.38 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.93 2pso s HIS 1068N 1.01 2.82 -0.12 4.92 2.46 -0.54 0.92 115.29 126.76 2pso s HIS 1068Ca -0.08 -0.57 0.03 0.00 0.47 0.00 0.00 55.06 54.91 2pso s HIS 1068Cb -0.15 -1.83 0.01 0.00 -0.13 0.00 0.00 32.58 30.48 2pso s HIS 1068CO -0.01 -0.16 -0.20 0.42 -2.47 0.00 0.00 174.74 172.32 2pso s ILE 1069N 0.25 1.88 0.18 0.89 1.01 -0.62 -1.15 121.20 123.64 2pso s ILE 1069Ca -0.09 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.48 2pso s ILE 1069Cb -0.15 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 40.69 2pso s ILE 1069CO 0.05 0.52 0.55 0.00 0.00 0.00 0.00 174.94 176.06 2pso s ARG 1071N -3.82 0.35 -0.03 0.00 3.52 0.30 -1.39 118.95 117.89 2pso s ARG 1071Ca 0.05 0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 56.31 2pso s ARG 1071Cb -0.01 -0.27 0.03 0.00 -1.56 0.00 0.00 34.95 33.14 2pso s ARG 1071CO -0.07 -0.57 0.02 0.42 -0.81 0.00 0.00 175.30 174.29 2pso s ILE 1072N 2.58 0.05 -0.53 4.11 1.01 -1.26 -0.97 121.20 126.18 2pso s ILE 1072Ca 0.11 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 2pso s ILE 1072Cb -0.15 -0.19 0.12 0.00 0.01 0.00 0.00 42.46 42.25 2pso s ILE 1072CO -0.15 0.14 0.48 -0.62 0.00 0.00 0.00 174.94 174.79 2pso s ASP 1073N 1.28 6.18 -0.28 3.58 2.15 -0.17 -4.99 116.67 124.42 2pso s ASP 1073Ca -0.06 -1.73 -0.22 0.00 0.43 0.00 0.00 52.55 50.97 2pso s ASP 1073Cb -0.13 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2pso s ASP 1073CO -0.03 -0.83 0.69 -0.76 -0.17 0.00 0.00 175.17 174.08 2pso s LEU 1074N 1.60 4.09 -1.31 -1.34 1.02 -1.26 -1.46 118.68 120.02 2pso s LEU 1074Ca 0.03 0.68 -0.13 0.00 0.02 0.00 0.00 54.13 54.73 2pso s LEU 1074Cb -0.29 -2.94 0.12 0.00 0.02 0.00 0.00 46.19 43.09 2pso s LEU 1074CO 0.03 -0.47 1.82 0.29 0.02 0.00 0.00 176.35 178.05 2pso n LYS 1075N 5.90 3.29 0.05 1.70 5.02 -1.26 -4.20 118.16 128.65 2pso n LYS 1075Ca 0.01 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 2pso n LYS 1075Cb 0.48 -3.16 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 2pso n LYS 1075CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pso n GLY 1076N 3.98 -1.86 3.64 0.72 0.00 -1.26 -5.04 105.19 105.36 2pso n GLY 1076Ca 0.44 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.31 1.53 0.61 1.61 3.76 -1.26 -5.01 115.29 115.24 2pso s HIS 1077Ca 0.00 1.70 -0.18 0.00 -0.15 0.00 0.00 55.06 56.43 2pso s HIS 1077Cb 0.00 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 2pso s HIS 1077CO 0.00 -3.04 1.21 0.45 -0.85 0.00 0.00 174.74 172.51 2pso s SER 1078N -2.62 5.03 0.44 1.40 0.15 -1.26 -4.93 113.70 111.91 2pso s SER 1078Ca 0.67 2.39 0.20 0.00 0.70 0.00 0.00 55.95 59.91 2pso s SER 1078Cb -0.23 -2.60 1.15 0.00 -1.71 0.00 0.00 66.02 62.63 2pso s SER 1078CO 0.59 -1.70 1.88 -0.65 1.20 0.00 0.00 173.24 174.56 2pso h PRO 1079N 0.70 0.32 -0.26 5.44 0.11 -2.00 -2.35 132.00 133.95 2pso h PRO 1079Ca -0.50 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2pso h PRO 1079Cb 1.30 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2pso h PRO 1079CO 0.54 0.21 -0.36 0.93 -0.21 0.00 0.00 178.00 179.12 2pso h GLU 1080N 0.32 0.56 -0.97 1.05 3.07 -2.00 -2.09 114.58 114.52 2pso h GLU 1080Ca 0.43 -0.26 0.05 0.00 -0.50 0.00 0.00 59.36 59.07 2pso h GLU 1080Cb 1.16 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 2pso h GLU 1080CO -0.13 0.84 0.63 2.35 -1.40 0.00 0.00 179.01 181.30 2pso h TRP 1081N 0.47 1.17 0.35 4.33 7.01 -1.80 -2.54 115.95 124.95 2pso h TRP 1081Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2pso h TRP 1081Cb 0.84 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2pso h TRP 1081CO 0.03 0.64 -0.17 1.88 -2.79 0.00 0.00 178.44 178.04 2pso h TYR 1082N 1.18 -0.44 -0.76 2.65 0.05 -1.21 0.21 116.97 118.65 2pso h TYR 1082Ca 0.40 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.31 2pso h TYR 1082Cb 0.09 0.14 -0.13 0.00 1.01 0.00 0.00 36.73 37.84 2pso h TYR 1082CO -0.00 -0.27 -0.24 0.43 -1.05 0.00 0.00 178.16 177.02 2pso n SER 1083N -3.52 -0.39 -0.05 3.88 7.64 -0.81 -1.78 113.62 118.60 2pso n SER 1083Ca -0.06 1.31 -0.01 0.00 1.01 0.00 0.00 58.87 61.12 2pso n SER 1083Cb 0.19 -0.35 -0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2pso n SER 1083CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2pso h LYS 1084N 0.00 0.00 -0.01 1.43 6.56 -1.54 -3.43 116.57 119.57 2pso h LYS 1084Ca 0.31 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.82 2pso h LYS 1084Cb 0.50 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.17 2pso h LYS 1084CO -0.76 0.00 -0.32 0.78 -2.06 0.00 0.00 179.45 177.09 2pso h GLY 1085N -0.84 0.26 1.50 3.86 0.00 -0.73 -3.36 103.07 103.77 2pso h GLY 1085Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 46.94 2pso h GLY 1085CO 0.00 0.39 0.23 -2.75 0.00 0.00 0.00 176.54 174.41 2pso h PHE 1086N -0.38 0.24 -0.33 5.60 3.04 -1.31 -1.49 116.94 122.31 2pso h PHE 1086Ca -0.04 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 2pso h PHE 1086Cb 1.05 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2pso h PHE 1086CO 0.16 0.14 -0.01 0.78 -2.02 0.00 0.00 178.31 177.36 2pso h GLY 1087N 0.25 0.64 1.72 2.40 0.00 -1.73 -2.38 103.07 103.97 2pso h GLY 1087Ca 0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2pso h GLY 1087CO -0.03 0.44 -0.03 0.45 0.00 0.00 0.00 176.54 177.37 2pso h HIS 1088N 0.39 0.36 -0.02 5.60 3.86 -1.46 -0.35 115.15 123.53 2pso h HIS 1088Ca 0.09 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2pso h HIS 1088Cb 0.46 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2pso h HIS 1088CO 0.04 0.39 -0.01 -0.07 0.86 0.00 0.00 177.93 179.13 2pso h LEU 1089N 0.34 -0.04 -1.74 2.43 3.38 -1.30 -1.10 115.31 117.27 2pso h LEU 1089Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pso h LEU 1089Cb 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2pso h LEU 1089CO 0.01 -0.02 0.17 0.00 0.09 0.00 0.00 178.44 178.69 2pso h ALA 1091N 1.84 0.18 -0.66 0.00 0.00 -1.12 -3.01 119.26 116.49 2pso h ALA 1091Ca 0.09 -0.87 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 2pso h ALA 1091Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2pso h ALA 1091CO -0.02 1.02 0.12 0.00 0.00 0.00 0.00 179.25 180.36 2pso h ALA 1092N 0.69 0.96 -0.68 0.00 0.00 0.00 -0.95 119.26 119.28 2pso h ALA 1092Ca -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pso h ALA 1092Cb 1.89 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2pso h ALA 1092CO 0.18 0.65 0.42 1.49 0.00 0.00 0.00 179.25 182.00 2pso h GLU 1093N 1.01 0.92 0.00 0.00 4.81 -1.00 0.17 114.58 120.48 2pso h GLU 1093Ca 0.20 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 2pso h GLU 1093Cb 0.42 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2pso h GLU 1093CO 0.01 0.64 -0.96 -0.24 -0.73 0.00 0.00 179.01 177.73 2pso h VAL 1094N 0.92 1.56 -0.41 0.32 3.04 -1.38 -2.27 116.25 118.03 2pso h VAL 1094Ca 0.25 -3.23 -0.15 0.00 -1.01 0.00 0.00 66.70 62.56 2pso h VAL 1094Cb -0.05 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 2pso h VAL 1094CO -0.05 0.89 -0.31 0.00 -1.01 0.00 0.00 177.57 177.09 2pso h ALA 1095N 1.07 0.59 -0.30 3.17 0.00 -0.84 -2.67 119.26 120.29 2pso h ALA 1095Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2pso h ALA 1095Cb 1.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2pso h ALA 1095CO 0.12 0.65 -0.42 0.00 0.00 0.00 0.00 179.25 179.60 2pso h ARG 1096N 0.77 0.74 -1.00 0.00 3.08 -0.80 -1.64 114.38 115.52 2pso h ARG 1096Ca 0.08 -0.39 0.13 0.00 0.07 0.00 0.00 59.98 59.86 2pso h ARG 1096Cb 0.90 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.88 2pso h ARG 1096CO 0.08 1.02 0.63 0.82 -1.07 0.00 0.00 179.97 181.45 2pso h ILE 1097N 0.60 0.89 0.53 2.04 2.04 -1.33 -1.30 117.51 120.98 2pso h ILE 1097Ca 0.05 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2pso h ILE 1097Cb 0.97 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2pso h ILE 1097CO 0.09 0.18 -0.25 -0.09 0.00 0.00 0.00 178.15 178.07 2pso h ARG 1098N 0.97 -0.68 -0.66 2.37 2.43 -1.04 -3.10 114.38 114.66 2pso h ARG 1098Ca 0.51 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.92 2pso h ARG 1098Cb 0.54 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2pso h ARG 1098CO -0.28 -0.41 0.48 -0.91 -1.51 0.00 0.00 179.97 177.33 2pso h ASN 1099N -0.82 0.01 0.00 -3.80 4.21 -0.87 0.35 115.58 114.67 2pso h ASN 1099Ca -0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2pso h ASN 1099Cb 0.59 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2pso h ASN 1099CO 0.12 0.01 0.00 -1.54 -1.29 0.00 0.00 177.43 174.72 2pso n SER 1100N -4.34 0.00 -0.65 5.81 3.41 -0.53 -0.97 113.62 116.35 2pso n SER 1100Ca 0.13 -0.62 0.06 0.00 -0.26 0.00 0.00 58.87 58.19 2pso n SER 1100Cb 0.73 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.94 0.56 -4.81 7.33 3.01 0.11 -4.98 117.46 117.75 2pso n PHE 1101Ca 0.11 -0.63 -0.26 0.00 1.01 0.00 0.00 57.45 57.69 2pso n PHE 1101Cb 0.05 -0.12 -0.16 0.00 -0.01 0.00 0.00 39.48 39.24 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 -1.61 1.72 -0.25 -1.08 -0.21 -0.14 -4.90 119.66 113.19 2pso s GLN 1102Ca 0.27 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.76 2pso s GLN 1102Cb 0.18 -1.51 -0.07 0.00 1.00 0.00 0.00 33.01 32.61 2pso s GLN 1102CO 0.12 0.24 2.20 -0.35 -2.12 0.00 0.00 175.29 175.38 2pso n PRO 1103N 3.15 1.73 0.00 2.91 -0.04 -1.26 -4.99 135.00 136.49 2pso n PRO 1103Ca -0.18 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2pso n PRO 1103Cb 0.53 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2pso n PRO 1103CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74