#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0a s THR 902 N 0.00 2.80 0.62 1.69 -4.23 -1.26 -4.97 115.64 110.29 1u0a s THR 902 Ca 0.00 -1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.16 1u0a s THR 902 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1u0a s THR 902 CO 0.00 0.00 1.03 0.61 -0.54 0.00 0.00 174.62 175.72 1u0a n GLY 903 N -1.71 -0.16 3.95 3.99 0.00 0.30 -5.00 105.19 106.56 1u0a n GLY 903 Ca 0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1u0a n GLY 903 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0a s GLY 904 N -1.31 1.73 0.28 -0.02 0.00 -1.26 -4.79 107.32 101.96 1u0a s GLY 904 Ca 0.78 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1u0a s GLY 904 CO 0.45 -0.71 1.09 1.44 0.00 0.00 0.00 173.10 175.38 1u0a n SER 905 N -2.88 1.62 -3.60 1.64 7.64 -1.26 -4.90 113.62 111.88 1u0a n SER 905 Ca 0.10 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 61.05 1u0a n SER 905 Cb 0.60 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 1u0a n SER 905 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1u0a s PHE 906 N -0.90 -0.29 -0.07 1.43 -0.71 -0.41 -4.99 117.98 112.04 1u0a s PHE 906 Ca 0.60 -0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.50 1u0a s PHE 906 Cb -0.69 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 41.55 1u0a s PHE 906 CO 0.59 -0.84 -0.11 0.12 -1.34 0.00 0.00 175.22 173.65 1u0a s PHE 907 N -3.81 1.35 -0.22 3.49 2.19 -1.26 -1.52 117.98 118.20 1u0a s PHE 907 Ca 0.05 -0.51 0.02 0.00 0.33 0.00 0.00 56.93 56.81 1u0a s PHE 907 Cb -0.00 -1.03 0.04 0.00 -1.31 0.00 0.00 43.02 40.72 1u0a s PHE 907 CO -0.09 -0.29 -0.15 -2.00 1.83 0.00 0.00 175.22 174.52 1u0a s GLU 908 N 0.83 2.60 0.00 10.12 2.56 0.58 -5.00 118.70 130.38 1u0a s GLU 908 Ca -0.12 -1.10 0.27 0.00 0.00 0.00 0.00 54.97 54.02 1u0a s GLU 908 Cb -0.15 -2.75 0.84 0.00 2.00 0.00 0.00 34.13 34.07 1u0a s GLU 908 CO 0.02 -0.40 1.62 -0.35 -0.56 0.00 0.00 175.26 175.58 1u0a n PRO 909 N 4.52 1.06 -3.62 4.30 -0.04 -1.26 -1.11 135.00 138.86 1u0a n PRO 909 Ca -0.17 -0.62 -0.22 0.00 -0.04 0.00 0.00 63.50 62.45 1u0a n PRO 909 Cb 0.46 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1u0a n PRO 909 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u0a n PHE 910 N -0.43 -2.30 0.08 0.54 3.72 -1.26 -4.58 117.46 113.23 1u0a n PHE 910 Ca 0.14 0.93 -0.12 0.00 -0.05 0.00 0.00 57.45 58.35 1u0a n PHE 910 Cb 0.35 -4.72 -0.13 0.00 -0.94 0.00 0.00 39.48 34.04 1u0a n PHE 910 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1u0a h ASN 911 N -2.11 0.24 -5.03 4.37 2.35 -1.92 -3.19 115.58 110.28 1u0a h ASN 911 Ca -0.59 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 54.92 1u0a h ASN 911 Cb 1.36 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 1u0a h ASN 911 CO 0.56 1.21 0.22 -0.94 -1.65 0.00 0.00 177.43 176.83 1u0a s SER 912 N -6.94 -0.11 -0.41 5.81 1.04 -1.26 -4.82 113.70 107.01 1u0a s SER 912 Ca -0.02 -0.88 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 1u0a s SER 912 Cb 0.08 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.98 1u0a s SER 912 CO 0.85 -1.48 1.45 -0.47 0.98 0.00 0.00 173.24 174.58 1u0a s TYR 913 N -3.22 2.33 -0.67 5.02 5.04 -1.26 -4.96 117.35 119.62 1u0a s TYR 913 Ca 0.14 0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 55.28 1u0a s TYR 913 Cb -0.05 -4.30 0.17 0.00 0.35 0.00 0.00 41.96 38.13 1u0a s TYR 913 CO 0.09 -2.08 0.62 1.21 -1.34 0.00 0.00 175.55 174.05 1u0a s ASN 914 N 4.20 6.44 0.00 4.32 3.84 -1.26 -4.89 114.94 127.59 1u0a s ASN 914 Ca 0.63 -2.22 0.22 0.00 0.21 0.00 0.00 52.86 51.70 1u0a s ASN 914 Cb -0.14 -2.20 1.19 0.00 -0.55 0.00 0.00 41.25 39.54 1u0a s ASN 914 CO 0.32 -0.72 1.72 -1.54 -2.79 0.00 0.00 177.10 174.09 1u0a n SER 915 N 4.64 0.00 0.08 -4.21 3.41 -1.26 -0.58 113.62 115.70 1u0a n SER 915 Ca -0.01 -0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.30 1u0a n SER 915 Cb 0.43 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1u0a n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1u0a h GLY 916 N 3.61 0.05 0.00 5.00 0.00 -2.03 -3.39 103.07 106.32 1u0a h GLY 916 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1u0a h GLY 916 CO 0.00 0.10 -1.43 -1.30 0.00 0.00 0.00 176.54 173.91 1u0a n THR 917 N -3.48 0.16 -4.23 4.70 -2.24 -0.73 -4.77 114.28 103.70 1u0a n THR 917 Ca -0.01 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1u0a n THR 917 Cb 0.87 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 1u0a n THR 917 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1u0a s TRP 918 N -2.46 1.16 -0.01 4.78 0.52 0.25 -0.84 118.94 122.34 1u0a s TRP 918 Ca -0.03 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.25 1u0a s TRP 918 Cb 0.04 -0.63 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 1u0a s TRP 918 CO 0.34 -0.05 -0.08 -1.21 0.02 0.00 0.00 176.95 175.97 1u0a s GLU 919 N -3.81 0.67 -0.20 4.98 2.02 0.15 -4.16 118.70 118.35 1u0a s GLU 919 Ca 0.17 -0.30 -0.16 0.00 0.02 0.00 0.00 54.97 54.69 1u0a s GLU 919 Cb 0.04 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 1u0a s GLU 919 CO 0.00 0.18 0.42 0.15 0.02 0.00 0.00 175.26 176.03 1u0a s LYS 920 N -0.22 4.19 0.31 1.61 1.02 -1.26 -0.99 119.74 124.40 1u0a s LYS 920 Ca 0.03 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 1u0a s LYS 920 Cb -0.03 -3.53 -0.10 0.00 -0.52 0.00 0.00 37.83 33.64 1u0a s LYS 920 CO -0.00 -0.04 1.41 0.00 -0.92 0.00 0.00 175.35 175.79 1u0a s ALA 921 N 1.32 3.58 -0.18 5.17 0.00 -0.30 -4.81 121.76 126.54 1u0a s ALA 921 Ca 0.20 1.37 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 1u0a s ALA 921 Cb -0.15 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.48 1u0a s ALA 921 CO 0.08 -0.78 0.46 0.34 0.00 0.00 0.00 175.76 175.86 1u0a s ASP 922 N -0.03 -0.54 0.00 0.00 2.15 -1.26 -2.74 116.67 114.24 1u0a s ASP 922 Ca 0.54 0.96 0.00 0.00 0.43 0.00 0.00 52.55 54.49 1u0a s ASP 922 Cb -0.42 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 1u0a s ASP 922 CO 0.51 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 1u0a n GLY 923 N 3.62 0.65 3.23 2.66 0.00 0.01 -4.94 105.19 110.40 1u0a n GLY 923 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1u0a n GLY 923 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u0a s TYR 924 N -2.02 0.07 0.01 1.61 1.13 -1.25 -4.98 117.35 111.93 1u0a s TYR 924 Ca 0.00 -0.48 0.01 0.00 -1.41 0.00 0.00 57.07 55.20 1u0a s TYR 924 Cb 0.00 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1u0a s TYR 924 CO 0.00 -0.57 0.03 0.45 -2.51 0.00 0.00 175.55 172.95 1u0a s SER 925 N -2.83 5.33 0.64 -0.18 0.15 -1.26 -0.77 113.70 114.78 1u0a s SER 925 Ca 0.04 0.03 0.42 0.00 0.70 0.00 0.00 55.95 57.14 1u0a s SER 925 Cb 0.04 -1.44 2.19 0.00 -1.71 0.00 0.00 66.02 65.11 1u0a s SER 925 CO -0.11 0.26 2.29 0.78 1.20 0.00 0.00 173.24 177.66 1u0a h ASN 926 N 4.11 0.00 -2.65 5.45 4.21 -1.84 -3.49 115.58 121.36 1u0a h ASN 926 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1u0a h ASN 926 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1u0a h ASN 926 CO 0.60 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.35 1u0a n GLY 927 N -0.87 -1.60 7.00 2.83 0.00 -1.26 -4.89 105.19 106.41 1u0a n GLY 927 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1u0a n GLY 927 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0a n GLY 928 N 0.00 4.13 0.05 -0.02 0.00 -1.26 -1.30 105.19 106.79 1u0a n GLY 928 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1u0a n GLY 928 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u0a n VAL 929 N 0.00 0.57 -2.74 1.61 0.24 -1.26 -4.60 118.33 112.15 1u0a n VAL 929 Ca 0.00 0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.94 1u0a n VAL 929 Cb 0.00 -0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 31.54 1u0a n VAL 929 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1u0a s PHE 930 N -3.08 2.56 -0.61 6.34 0.40 -0.42 -1.16 117.98 122.01 1u0a s PHE 930 Ca 0.09 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1u0a s PHE 930 Cb 0.13 -4.38 0.15 0.00 0.51 0.00 0.00 43.02 39.43 1u0a s PHE 930 CO 0.44 -1.75 2.53 -1.71 0.70 0.00 0.00 175.22 175.43 1u0a n ASN 931 N 8.25 6.84 -3.50 1.36 5.15 -0.45 -3.99 115.26 128.93 1u0a n ASN 931 Ca -0.00 -3.40 -0.10 0.00 -0.60 0.00 0.00 54.58 50.48 1u0a n ASN 931 Cb 0.47 -1.19 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 1u0a n ASN 931 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u0a s THR 933 N -3.50 4.21 0.29 0.00 2.01 -0.46 -4.44 115.64 113.76 1u0a s THR 933 Ca 0.04 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1u0a s THR 933 Cb -0.01 -2.88 -0.11 0.00 0.01 0.00 0.00 72.50 69.51 1u0a s THR 933 CO -0.09 0.46 1.52 0.26 -0.69 0.00 0.00 174.62 176.08 1u0a s TRP 934 N 0.55 2.83 -0.04 4.92 0.52 0.05 -0.64 118.94 127.12 1u0a s TRP 934 Ca -0.00 0.93 0.02 0.00 0.02 0.00 0.00 56.10 57.06 1u0a s TRP 934 Cb -0.14 -3.97 0.02 0.00 -1.15 0.00 0.00 33.47 28.23 1u0a s TRP 934 CO 0.02 -3.17 -0.07 1.03 0.02 0.00 0.00 176.95 174.79 1u0a s ARG 935 N -0.69 0.97 0.52 4.98 1.81 -0.46 -0.81 118.95 125.26 1u0a s ARG 935 Ca 0.60 -0.20 0.18 0.00 -1.72 0.00 0.00 55.73 54.59 1u0a s ARG 935 Cb -0.45 -0.91 1.31 0.00 -0.45 0.00 0.00 34.95 34.45 1u0a s ARG 935 CO 0.48 -0.01 2.13 0.00 -0.68 0.00 0.00 175.30 177.23 1u0a h ALA 936 N 6.90 2.05 0.00 2.13 0.00 -1.82 -1.46 119.26 127.05 1u0a h ALA 936 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u0a h ALA 936 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u0a h ALA 936 CO 0.48 -0.09 0.00 -0.97 0.00 0.00 0.00 179.25 178.67 1u0a h ASN 937 N 0.00 0.00 -0.35 0.00 -1.24 -1.93 -1.69 115.58 110.37 1u0a h ASN 937 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1u0a h ASN 937 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1u0a h ASN 937 CO -0.00 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.73 1u0a n ASN 938 N -2.31 3.35 -4.26 1.15 4.13 -0.55 -4.75 115.26 112.02 1u0a n ASN 938 Ca -0.01 -1.97 -0.38 0.00 1.68 0.00 0.00 54.58 53.90 1u0a n ASN 938 Cb 0.08 -0.22 -0.12 0.00 -1.54 0.00 0.00 39.78 37.99 1u0a n ASN 938 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1u0a s VAL 939 N -1.46 3.85 0.24 2.41 1.01 -0.64 -0.85 120.40 124.95 1u0a s VAL 939 Ca 0.36 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1u0a s VAL 939 Cb 0.21 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1u0a s VAL 939 CO 0.30 -0.31 0.03 0.20 0.00 0.00 0.00 175.10 175.32 1u0a s ASN 940 N 1.63 1.62 -0.10 3.32 0.01 -0.63 -4.99 114.94 115.79 1u0a s ASN 940 Ca 0.00 -1.27 0.02 0.00 -0.71 0.00 0.00 52.86 50.91 1u0a s ASN 940 Cb -0.21 0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.52 1u0a s ASN 940 CO 0.02 -0.59 -0.16 -0.36 -1.51 0.00 0.00 177.10 174.50 1u0a s PHE 941 N -3.53 1.98 0.87 2.20 0.40 -1.26 -0.12 117.98 118.52 1u0a s PHE 941 Ca 0.31 -0.87 -0.12 0.00 -0.60 0.00 0.00 56.93 55.64 1u0a s PHE 941 Cb 0.07 -1.40 0.12 0.00 0.51 0.00 0.00 43.02 42.31 1u0a s PHE 941 CO 0.10 -0.43 1.13 0.95 0.70 0.00 0.00 175.22 177.67 1u0a s THR 942 N 0.80 2.26 -0.20 0.64 -4.23 -0.17 -4.94 115.64 109.82 1u0a s THR 942 Ca -0.10 0.09 0.29 0.00 -1.18 0.00 0.00 61.69 60.78 1u0a s THR 942 Cb -0.16 -2.86 0.34 0.00 1.34 0.00 0.00 72.50 71.16 1u0a s THR 942 CO 0.01 -0.11 1.85 -0.55 -0.54 0.00 0.00 174.62 175.28 1u0a h ASN 943 N -1.36 0.00 -0.62 3.99 7.08 -1.94 -2.71 115.58 120.02 1u0a h ASN 943 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 1u0a h ASN 943 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1u0a h ASN 943 CO 0.62 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 175.07 1u0a n ASP 944 N -2.78 3.78 -0.39 6.14 5.75 -1.26 -4.97 116.55 122.82 1u0a n ASP 944 Ca 0.02 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1u0a n ASP 944 Cb 0.32 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1u0a n ASP 944 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u0a n GLY 945 N 1.27 0.81 3.32 6.12 0.00 -1.02 -5.04 105.19 110.65 1u0a n GLY 945 Ca 0.21 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1u0a n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0a s LYS 946 N -2.62 2.33 0.05 1.61 -0.14 -1.21 -4.53 119.74 115.24 1u0a s LYS 946 Ca 0.00 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 1u0a s LYS 946 Cb 0.00 -2.14 -0.05 0.00 -1.68 0.00 0.00 37.83 33.96 1u0a s LYS 946 CO 0.00 0.50 1.19 -1.17 -0.76 0.00 0.00 175.35 175.12 1u0a s LEU 947 N -0.46 4.36 -0.26 3.17 2.96 0.72 -1.00 118.68 128.18 1u0a s LEU 947 Ca 0.05 1.98 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1u0a s LEU 947 Cb -0.11 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.07 1u0a s LEU 947 CO 0.01 -0.48 -0.05 -0.75 -1.32 0.00 0.00 176.35 173.76 1u0a s LYS 948 N 1.19 1.72 -0.13 1.98 2.20 0.83 -0.84 119.74 126.69 1u0a s LYS 948 Ca 0.58 -1.18 -0.17 0.00 -0.36 0.00 0.00 55.97 54.84 1u0a s LYS 948 Cb -0.29 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1u0a s LYS 948 CO 0.28 -0.65 0.45 -0.51 -0.36 0.00 0.00 175.35 174.56 1u0a s LEU 949 N 1.28 4.26 -0.01 5.43 1.43 0.18 -1.61 118.68 129.64 1u0a s LEU 949 Ca -0.04 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 53.86 1u0a s LEU 949 Cb -0.19 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1u0a s LEU 949 CO -0.07 0.00 -0.18 -0.83 0.23 0.00 0.00 176.35 175.51 1u0a s GLY 950 N 0.64 1.50 -0.29 -3.19 0.00 -0.03 -1.45 107.32 104.51 1u0a s GLY 950 Ca 0.24 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 1u0a s GLY 950 CO 0.09 -0.92 0.04 -2.27 0.00 0.00 0.00 173.10 170.04 1u0a s LEU 951 N -0.98 3.75 0.32 0.66 2.96 0.28 -3.65 118.68 122.01 1u0a s LEU 951 Ca 0.12 -0.90 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1u0a s LEU 951 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1u0a s LEU 951 CO 0.02 -0.21 0.15 0.42 -1.32 0.00 0.00 176.35 175.41 1u0a s THR 952 N 1.40 0.42 -0.12 3.68 -4.23 0.21 -1.29 115.64 115.72 1u0a s THR 952 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1u0a s THR 952 Cb -0.18 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1u0a s THR 952 CO 0.00 0.00 0.37 -0.55 -0.54 0.00 0.00 174.62 173.91 1u0a s SER 953 N -3.41 -0.37 0.00 3.99 0.15 -1.26 -0.43 113.70 112.37 1u0a s SER 953 Ca 0.34 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1u0a s SER 953 Cb 0.05 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1u0a s SER 953 CO 0.17 -0.19 0.29 -1.54 1.20 0.00 0.00 173.24 173.17 1u0a n SER 954 N 2.58 0.56 -3.79 5.45 3.41 -1.26 -5.04 113.62 115.54 1u0a n SER 954 Ca -0.15 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1u0a n SER 954 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1u0a n SER 954 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0a s ALA 955 N -0.02 -0.51 -0.09 7.33 0.00 -1.26 -5.10 121.76 122.11 1u0a s ALA 955 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 51.96 51.18 1u0a s ALA 955 Cb 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 23.12 23.68 1u0a s ALA 955 CO 0.00 -0.62 1.82 0.98 0.00 0.00 0.00 175.76 177.93 1u0a n TYR 956 N -0.19 2.26 -2.75 0.00 9.36 -1.26 -1.66 117.16 122.92 1u0a n TYR 956 Ca -0.13 0.12 -0.13 0.00 3.32 0.00 0.00 57.90 61.08 1u0a n TYR 956 Cb 0.63 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.72 1u0a n TYR 956 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1u0a n ASN 957 N 6.01 -3.02 -4.07 2.98 3.02 -1.26 -4.94 115.26 113.99 1u0a n ASN 957 Ca 0.23 0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 1u0a n ASN 957 Cb 0.27 -2.59 -0.16 0.00 -0.61 0.00 0.00 39.78 36.69 1u0a n ASN 957 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1u0a s LYS 958 N -5.33 2.52 -0.01 3.52 2.47 -0.67 -5.12 119.74 117.11 1u0a s LYS 958 Ca 0.13 -0.65 0.07 0.00 -1.56 0.00 0.00 55.97 53.95 1u0a s LYS 958 Cb -0.07 -2.20 -0.02 0.00 -1.46 0.00 0.00 37.83 34.08 1u0a s LYS 958 CO 0.15 -0.16 -0.23 -0.06 0.16 0.00 0.00 175.35 175.21 1u0a s PHE 959 N 1.25 2.43 -0.10 4.03 0.40 -1.26 -4.01 117.98 120.72 1u0a s PHE 959 Ca 0.01 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1u0a s PHE 959 Cb -0.14 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1u0a s PHE 959 CO -0.08 0.05 -0.10 -0.51 0.70 0.00 0.00 175.22 175.28 1u0a s ASP 960 N -0.77 4.31 0.00 1.36 -0.00 0.42 -1.35 116.67 120.64 1u0a s ASP 960 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 52.55 52.48 1u0a s ASP 960 Cb -0.10 -1.32 0.00 0.00 -0.00 0.00 0.00 42.92 41.49 1u0a s ASP 960 CO 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 175.17 175.44 1u0a s ALA 962 N -2.00 -0.40 -0.07 0.00 0.00 -1.16 -1.36 121.76 116.77 1u0a s ALA 962 Ca 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1u0a s ALA 962 Cb 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1u0a s ALA 962 CO 0.00 -0.13 0.17 -2.00 0.00 0.00 0.00 175.76 173.80 1u0a s GLU 963 N 0.69 0.12 -0.11 0.00 2.12 -1.26 -1.41 118.70 118.85 1u0a s GLU 963 Ca -0.05 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1u0a s GLU 963 Cb -0.07 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.17 1u0a s GLU 963 CO -0.04 -0.16 -0.23 -0.47 -0.54 0.00 0.00 175.26 173.83 1u0a s TYR 964 N 1.15 2.61 0.00 5.30 5.04 -0.07 -1.15 117.35 130.22 1u0a s TYR 964 Ca -0.09 -1.07 0.03 0.00 -2.44 0.00 0.00 57.07 53.50 1u0a s TYR 964 Cb -0.11 -1.74 -0.01 0.00 0.35 0.00 0.00 41.96 40.45 1u0a s TYR 964 CO -0.06 -0.44 -0.10 1.03 -1.34 0.00 0.00 175.55 174.64 1u0a s ARG 965 N 0.44 0.78 0.57 4.97 0.52 -0.16 -1.24 118.95 124.84 1u0a s ARG 965 Ca -0.16 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.46 1u0a s ARG 965 Cb -0.17 -0.75 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 1u0a s ARG 965 CO 0.06 0.20 1.10 -1.54 0.02 0.00 0.00 175.30 175.15 1u0a s SER 966 N -0.41 5.68 0.06 0.23 1.04 0.14 0.34 113.70 120.79 1u0a s SER 966 Ca 0.03 2.05 0.06 0.00 0.48 0.00 0.00 55.95 58.56 1u0a s SER 966 Cb -0.05 -2.56 -0.23 0.00 0.10 0.00 0.00 66.02 63.28 1u0a s SER 966 CO -0.00 -1.24 1.04 0.71 0.98 0.00 0.00 173.24 174.73 1u0a h THR 967 N 0.87 1.39 -3.67 2.02 1.35 -1.29 -3.44 112.91 110.14 1u0a h THR 967 Ca -0.49 -3.11 -0.48 0.00 -0.55 0.00 0.00 66.41 61.78 1u0a h THR 967 Cb 1.25 2.74 0.05 0.00 -1.73 0.00 0.00 68.15 70.46 1u0a h THR 967 CO 0.57 0.82 0.18 0.20 -0.25 0.00 0.00 175.52 177.04 1u0a s ASN 968 N -6.64 5.69 0.16 5.36 0.01 -1.26 -5.07 114.94 113.19 1u0a s ASN 968 Ca -0.03 0.76 0.05 0.00 -0.71 0.00 0.00 52.86 52.94 1u0a s ASN 968 Cb 0.09 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 1u0a s ASN 968 CO 0.83 -1.00 0.11 0.27 -1.51 0.00 0.00 177.10 175.80 1u0a s ILE 969 N -2.97 4.34 0.03 0.60 -4.36 -1.26 -4.41 121.20 113.18 1u0a s ILE 969 Ca 0.53 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 1u0a s ILE 969 Cb -0.11 -3.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 1u0a s ILE 969 CO 0.45 -0.10 -0.07 -0.31 0.24 0.00 0.00 174.94 175.15 1u0a s TYR 970 N -1.73 0.64 0.00 1.37 1.51 0.10 -0.54 117.35 118.71 1u0a s TYR 970 Ca 0.30 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1u0a s TYR 970 Cb -0.10 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1u0a s TYR 970 CO 0.22 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 1u0a n GLY 971 N 1.72 3.93 3.62 0.71 0.00 -1.26 -2.03 105.19 111.88 1u0a n GLY 971 Ca -0.21 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1u0a n GLY 971 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u0a n TYR 972 N 0.00 1.09 -1.11 1.61 0.53 -1.26 -4.88 117.16 113.13 1u0a n TYR 972 Ca 0.00 0.48 0.00 0.00 -1.02 0.00 0.00 57.90 57.36 1u0a n TYR 972 Cb 0.00 -2.20 0.00 0.00 -1.03 0.00 0.00 39.34 36.11 1u0a n TYR 972 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u0a n GLY 973 N 1.20 -0.05 3.58 2.72 0.00 0.31 -4.08 105.19 108.87 1u0a n GLY 973 Ca 0.11 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1u0a n GLY 973 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u0a s LEU 974 N 0.00 3.81 -0.18 0.99 2.96 -0.29 -1.04 118.68 124.93 1u0a s LEU 974 Ca 0.00 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1u0a s LEU 974 Cb 0.00 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1u0a s LEU 974 CO 0.00 0.05 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.71 1u0a s TYR 975 N 1.10 2.93 0.03 5.38 2.02 0.26 -0.81 117.35 128.26 1u0a s TYR 975 Ca 0.06 -0.76 0.05 0.00 -0.37 0.00 0.00 57.07 56.04 1u0a s TYR 975 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1u0a s TYR 975 CO 0.04 -0.37 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.30 1u0a s GLU 976 N 0.99 0.93 -0.11 -0.62 2.02 -0.01 -0.94 118.70 120.96 1u0a s GLU 976 Ca -0.00 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 1u0a s GLU 976 Cb -0.15 -0.93 0.04 0.00 0.10 0.00 0.00 34.13 33.20 1u0a s GLU 976 CO 0.00 0.23 0.28 0.54 0.02 0.00 0.00 175.26 176.33 1u0a s VAL 977 N -0.78 -0.02 -0.29 2.63 0.11 -0.21 -0.61 120.40 121.23 1u0a s VAL 977 Ca 0.02 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1u0a s VAL 977 Cb -0.07 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1u0a s VAL 977 CO 0.01 0.03 0.17 -0.55 -3.33 0.00 0.00 175.10 171.43 1u0a s SER 978 N 0.82 5.76 0.25 3.54 0.15 -0.88 -0.19 113.70 123.16 1u0a s SER 978 Ca -0.06 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.26 1u0a s SER 978 Cb -0.07 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1u0a s SER 978 CO -0.05 -0.11 0.45 0.00 1.20 0.00 0.00 173.24 174.72 1u0a s MET 979 N 1.70 1.56 -0.31 5.44 0.23 -0.95 -0.44 119.30 126.53 1u0a s MET 979 Ca 0.06 -1.34 -0.01 0.00 -1.03 0.00 0.00 55.69 53.37 1u0a s MET 979 Cb -0.16 0.45 0.13 0.00 -1.53 0.00 0.00 34.83 33.72 1u0a s MET 979 CO 0.09 -0.64 0.26 0.21 -2.03 0.00 0.00 175.02 172.90 1u0a s LYS 980 N -3.91 0.35 0.73 3.16 2.20 0.34 -2.91 119.74 119.69 1u0a s LYS 980 Ca 0.25 -0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1u0a s LYS 980 Cb 0.00 -0.84 0.03 0.00 -1.51 0.00 0.00 37.83 35.51 1u0a s LYS 980 CO 0.10 -1.07 1.07 -1.25 -0.36 0.00 0.00 175.35 173.85 1u0a s PRO 981 N 2.06 2.67 0.53 4.03 0.04 -1.26 -1.20 135.00 141.88 1u0a s PRO 981 Ca 0.11 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 1u0a s PRO 981 Cb -0.15 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1u0a s PRO 981 CO -0.27 -1.30 1.11 0.00 0.04 0.00 0.00 177.00 176.57 1u0a s ALA 982 N -3.01 2.73 -0.18 8.56 0.00 -1.21 -4.16 121.76 124.48 1u0a s ALA 982 Ca 0.59 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1u0a s ALA 982 Cb -0.15 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1u0a s ALA 982 CO 0.55 -0.68 -0.11 0.21 0.00 0.00 0.00 175.76 175.73 1u0a s LYS 983 N -3.31 3.27 0.00 0.00 2.20 -1.26 -4.46 119.74 116.18 1u0a s LYS 983 Ca 0.71 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1u0a s LYS 983 Cb -0.22 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1u0a s LYS 983 CO 0.26 -0.09 0.00 -1.71 -0.36 0.00 0.00 175.35 173.45 1u0a n ASN 984 N 4.40 0.00 -4.75 1.43 5.15 -0.71 -5.03 115.26 115.75 1u0a n ASN 984 Ca -0.19 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.40 1u0a n ASN 984 Cb 0.51 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.79 1u0a n ASN 984 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1u0a n THR 985 N -0.18 3.34 -1.02 -0.44 5.66 -1.26 -2.50 114.28 117.88 1u0a n THR 985 Ca 0.00 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.49 1u0a n THR 985 Cb 0.00 -1.74 -0.00 0.00 -1.55 0.00 0.00 70.33 67.03 1u0a n THR 985 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u0a n GLY 986 N 0.68 0.48 3.41 1.09 0.00 0.07 -4.32 105.19 106.60 1u0a n GLY 986 Ca 0.08 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1u0a n GLY 986 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u0a s ILE 987 N -1.99 1.23 -0.01 -0.61 -4.36 -1.23 -1.14 121.20 113.09 1u0a s ILE 987 Ca 0.00 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1u0a s ILE 987 Cb 0.00 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 1u0a s ILE 987 CO 0.00 -0.14 -0.07 -0.69 0.24 0.00 0.00 174.94 174.28 1u0a s VAL 988 N -3.28 0.56 -0.03 8.37 1.01 -0.37 -1.11 120.40 125.55 1u0a s VAL 988 Ca 0.33 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1u0a s VAL 988 Cb 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1u0a s VAL 988 CO 0.13 0.16 -0.19 -0.44 0.00 0.00 0.00 175.10 174.75 1u0a s SER 989 N -0.16 3.61 0.16 3.32 0.01 -0.75 -1.58 113.70 118.31 1u0a s SER 989 Ca 0.03 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 56.89 1u0a s SER 989 Cb -0.03 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 1u0a s SER 989 CO -0.00 0.32 0.21 -0.94 0.41 0.00 0.00 173.24 173.24 1u0a s SER 990 N -0.78 0.13 -0.11 2.44 1.04 -0.20 -0.56 113.70 115.65 1u0a s SER 990 Ca 0.11 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 1u0a s SER 990 Cb -0.10 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.46 1u0a s SER 990 CO 0.01 -0.85 0.25 0.12 0.98 0.00 0.00 173.24 173.74 1u0a s PHE 991 N -4.01 -0.35 0.13 5.02 5.36 -0.70 -3.42 117.98 120.02 1u0a s PHE 991 Ca 0.21 0.83 -0.25 0.00 -0.96 0.00 0.00 56.93 56.76 1u0a s PHE 991 Cb 0.05 0.01 0.07 0.00 -0.34 0.00 0.00 43.02 42.80 1u0a s PHE 991 CO 0.02 -0.27 0.80 -0.59 -1.46 0.00 0.00 175.22 173.72 1u0a s PHE 992 N 1.64 -0.31 0.07 10.12 -0.71 -0.08 -0.89 117.98 127.82 1u0a s PHE 992 Ca -0.06 0.05 0.02 0.00 -1.04 0.00 0.00 56.93 55.91 1u0a s PHE 992 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1u0a s PHE 992 CO -0.08 -0.83 0.09 0.95 -1.34 0.00 0.00 175.22 174.01 1u0a s THR 993 N -3.48 4.63 -0.24 -4.49 -4.23 -0.27 0.14 115.64 107.70 1u0a s THR 993 Ca 0.07 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 59.69 1u0a s THR 993 Cb -0.02 -3.22 0.07 0.00 1.34 0.00 0.00 72.50 70.66 1u0a s THR 993 CO -0.04 0.15 0.62 -0.47 -0.54 0.00 0.00 174.62 174.34 1u0a s TYR 994 N -1.38 -0.79 0.03 3.99 5.04 -0.12 -2.51 117.35 121.61 1u0a s TYR 994 Ca 0.29 1.77 -0.10 0.00 -2.44 0.00 0.00 57.07 56.60 1u0a s TYR 994 Cb -0.12 0.35 0.01 0.00 0.35 0.00 0.00 41.96 42.55 1u0a s TYR 994 CO 0.22 -0.39 0.20 -0.08 -1.34 0.00 0.00 175.55 174.16 1u0a s THR 995 N 0.82 0.10 0.00 4.34 -1.32 -0.86 -1.05 115.64 117.67 1u0a s THR 995 Ca -0.04 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1u0a s THR 995 Cb -0.05 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1u0a s THR 995 CO -0.07 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 1u0a n GLY 996 N 0.82 1.27 0.33 6.08 0.00 -1.23 -2.07 105.19 110.40 1u0a n GLY 996 Ca -0.20 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1u0a n GLY 996 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u0a h PRO 997 N 0.00 0.84 0.00 1.61 0.11 -1.64 0.21 132.00 133.13 1u0a h PRO 997 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1u0a h PRO 997 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 1u0a h PRO 997 CO 0.00 0.55 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 1u0a h ALA 998 N 1.52 1.00 -0.02 -0.75 0.00 -1.96 0.29 119.26 119.33 1u0a h ALA 998 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1u0a h ALA 998 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u0a h ALA 998 CO -0.28 0.00 -0.19 0.72 0.00 0.00 0.00 179.25 179.51 1u0a n HIS 999 N -2.46 0.00 -0.89 0.00 8.25 0.70 -4.97 115.22 115.85 1u0a n HIS 999 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u0a n HIS 999 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1u0a n HIS 999 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u0a n GLY 1000N 1.30 0.59 3.29 -1.41 0.00 0.09 -4.91 105.19 104.14 1u0a n GLY 1000Ca 0.11 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 1u0a n GLY 1000CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u0a s THR 1001N -2.00 0.21 0.94 2.61 -4.23 -0.90 -4.98 115.64 107.28 1u0a s THR 1001Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1u0a s THR 1001Cb 0.00 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.47 1u0a s THR 1001CO 0.00 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.17 1u0a s GLN 1002N -3.88 0.90 -0.68 3.99 -2.07 -1.26 -1.93 119.66 114.72 1u0a s GLN 1002Ca 0.38 0.97 -0.21 0.00 -1.82 0.00 0.00 55.36 54.68 1u0a s GLN 1002Cb 0.05 -1.76 0.09 0.00 -1.09 0.00 0.00 33.01 30.31 1u0a s GLN 1002CO 0.17 -2.53 0.93 -0.46 -1.32 0.00 0.00 175.29 172.08 1u0a s TRP 1003N -2.80 2.81 -0.10 9.60 -0.00 -1.26 -3.50 118.94 123.69 1u0a s TRP 1003Ca 0.65 -0.77 0.04 0.00 -0.00 0.00 0.00 56.10 56.02 1u0a s TRP 1003Cb -0.20 -4.23 -0.00 0.00 -0.00 0.00 0.00 33.47 29.04 1u0a s TRP 1003CO 0.58 -1.55 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.25 1u0a s ASP 1004N 3.66 3.24 -0.08 5.86 -0.00 -0.88 -1.04 116.67 127.43 1u0a s ASP 1004Ca 0.21 -0.52 -0.24 0.00 -0.00 0.00 0.00 52.55 52.01 1u0a s ASP 1004Cb -0.17 -1.37 0.05 0.00 -0.00 0.00 0.00 42.92 41.44 1u0a s ASP 1004CO 0.06 0.17 0.56 -1.58 -0.00 0.00 0.00 175.17 174.38 1u0a s GLN 1005N 0.27 0.87 -0.07 8.23 0.74 -0.08 -2.04 119.66 127.58 1u0a s GLN 1005Ca -0.16 0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.53 1u0a s GLN 1005Cb -0.17 0.41 0.02 0.00 1.10 0.00 0.00 33.01 34.36 1u0a s GLN 1005CO 0.08 -0.23 -0.08 0.42 -0.55 0.00 0.00 175.29 174.92 1u0a s ILE 1006N -0.88 0.91 0.05 -2.34 1.01 -1.04 -0.64 121.20 118.26 1u0a s ILE 1006Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1u0a s ILE 1006Cb -0.02 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1u0a s ILE 1006CO 0.06 0.32 -0.10 1.51 0.00 0.00 0.00 174.94 176.73 1u0a s ASP 1007N 1.04 1.19 -0.18 3.58 -4.77 -0.49 -1.11 116.67 115.93 1u0a s ASP 1007Ca -0.08 -0.52 0.01 0.00 -3.30 0.00 0.00 52.55 48.66 1u0a s ASP 1007Cb -0.14 -0.02 0.02 0.00 -1.09 0.00 0.00 42.92 41.69 1u0a s ASP 1007CO -0.00 -0.11 -0.20 -0.63 0.70 0.00 0.00 175.17 174.93 1u0a s ILE 1008N -1.17 2.08 -0.06 2.11 1.01 -0.07 -2.23 121.20 122.87 1u0a s ILE 1008Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1u0a s ILE 1008Cb -0.09 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1u0a s ILE 1008CO 0.01 0.54 -0.16 -1.10 0.00 0.00 0.00 174.94 174.23 1u0a s GLN 1009N 1.24 1.92 -0.42 2.79 -0.21 0.33 -1.72 119.66 123.59 1u0a s GLN 1009Ca 0.04 -0.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.75 1u0a s GLN 1009Cb -0.13 -1.58 0.06 0.00 1.00 0.00 0.00 33.01 32.35 1u0a s GLN 1009CO -0.12 0.13 0.28 -0.06 -2.12 0.00 0.00 175.29 173.41 1u0a s PHE 1010N 0.38 3.27 -0.13 0.91 0.40 0.27 -0.49 117.98 122.60 1u0a s PHE 1010Ca -0.11 -1.11 -0.29 0.00 -0.60 0.00 0.00 56.93 54.81 1u0a s PHE 1010Cb -0.14 -2.83 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 1u0a s PHE 1010CO 0.04 -0.75 1.31 -0.51 0.70 0.00 0.00 175.22 176.00 1u0a s LEU 1011N 1.55 4.21 0.62 -0.37 1.43 -1.26 -1.81 118.68 123.04 1u0a s LEU 1011Ca 0.03 1.79 0.38 0.00 -1.03 0.00 0.00 54.13 55.30 1u0a s LEU 1011Cb -0.22 -3.54 2.07 0.00 0.03 0.00 0.00 46.19 44.53 1u0a s LEU 1011CO 0.05 -0.76 2.28 1.23 0.23 0.00 0.00 176.35 179.38 1u0a h GLY 1012N 9.55 0.00 2.00 -3.19 0.00 -1.25 -1.63 103.07 108.55 1u0a h GLY 1012Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1u0a h GLY 1012CO 0.95 0.00 -0.05 0.07 0.00 0.00 0.00 176.54 177.51 1u0a h LYS 1013N 0.00 0.00 -1.27 4.80 2.10 -1.69 -1.88 116.57 118.63 1u0a h LYS 1013Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1u0a h LYS 1013Cb 0.08 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.18 1u0a h LYS 1013CO 0.00 0.05 -0.50 0.34 -2.00 0.00 0.00 179.45 177.35 1u0a s ASP 1014N -5.73 -0.80 0.00 7.07 3.68 -0.61 -4.87 116.67 115.41 1u0a s ASP 1014Ca -0.02 -0.79 0.03 0.00 2.13 0.00 0.00 52.55 53.91 1u0a s ASP 1014Cb 0.11 1.60 0.14 0.00 -1.45 0.00 0.00 42.92 43.33 1u0a s ASP 1014CO 0.53 -0.22 1.10 0.35 0.13 0.00 0.00 175.17 177.06 1u0a n THR 1015N 4.60 0.07 1.53 1.71 -2.24 -1.24 -2.62 114.28 116.09 1u0a n THR 1015Ca 0.09 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1u0a n THR 1015Cb 0.53 0.02 0.54 0.00 -2.10 0.00 0.00 70.33 69.32 1u0a n THR 1015CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1u0a n THR 1016N -0.35 0.06 -4.28 4.28 -2.24 -1.26 -0.23 114.28 110.25 1u0a n THR 1016Ca 0.03 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1u0a n THR 1016Cb 0.05 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1u0a n THR 1016CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0a s LYS 1017N -1.94 1.16 0.03 -0.78 1.02 -1.08 -0.99 119.74 117.17 1u0a s LYS 1017Ca 0.37 -1.52 0.02 0.00 0.02 0.00 0.00 55.97 54.87 1u0a s LYS 1017Cb 0.19 -0.74 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 1u0a s LYS 1017CO 0.31 0.07 -0.08 0.54 -0.92 0.00 0.00 175.35 175.28 1u0a s VAL 1018N -3.26 0.55 -0.15 3.17 0.11 -0.32 -4.57 120.40 115.93 1u0a s VAL 1018Ca 0.20 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1u0a s VAL 1018Cb 0.02 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1u0a s VAL 1018CO 0.03 -0.22 -0.09 -1.58 -3.33 0.00 0.00 175.10 169.91 1u0a s GLN 1019N -1.16 3.49 0.01 1.54 0.74 0.36 -0.82 119.66 123.81 1u0a s GLN 1019Ca -0.06 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.75 1u0a s GLN 1019Cb -0.08 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1u0a s GLN 1019CO 0.00 0.18 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.85 1u0a s PHE 1020N 0.47 3.02 0.26 1.67 2.99 0.25 -0.52 117.98 126.13 1u0a s PHE 1020Ca -0.07 0.04 -0.21 0.00 0.00 0.00 0.00 56.93 56.69 1u0a s PHE 1020Cb -0.15 -1.64 0.04 0.00 0.00 0.00 0.00 43.02 41.27 1u0a s PHE 1020CO 0.04 0.44 0.82 1.21 -0.00 0.00 0.00 175.22 177.73 1u0a s ASN 1021N -1.59 -0.17 0.06 1.36 2.47 -0.95 -0.92 114.94 115.21 1u0a s ASN 1021Ca 0.19 -0.65 -0.24 0.00 0.42 0.00 0.00 52.86 52.59 1u0a s ASN 1021Cb -0.11 0.67 0.06 0.00 -1.45 0.00 0.00 41.25 40.41 1u0a s ASN 1021CO 0.10 -1.26 0.56 -0.72 -3.72 0.00 0.00 177.10 172.06 1u0a s TYR 1022N -3.35 -0.48 0.05 0.43 -0.85 -1.26 -1.40 117.35 110.49 1u0a s TYR 1022Ca 0.13 0.51 0.06 0.00 -0.52 0.00 0.00 57.07 57.25 1u0a s TYR 1022Cb -0.04 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1u0a s TYR 1022CO 0.06 -0.69 -0.17 0.71 -1.52 0.00 0.00 175.55 173.94 1u0a s TYR 1023N -2.64 1.47 -0.05 -3.49 1.51 0.18 -4.36 117.35 109.97 1u0a s TYR 1023Ca -0.04 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1u0a s TYR 1023Cb -0.00 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1u0a s TYR 1023CO -0.03 0.07 0.05 0.99 -1.11 0.00 0.00 175.55 175.51 1u0a s THR 1024N -0.86 0.00 -1.53 -0.71 2.01 -0.76 -0.90 115.64 112.89 1u0a s THR 1024Ca 0.04 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1u0a s THR 1024Cb -0.08 -0.24 0.08 0.00 0.01 0.00 0.00 72.50 72.26 1u0a s THR 1024CO 0.02 0.20 0.72 -3.20 -0.69 0.00 0.00 174.62 171.66 1u0a n ASN 1025N 5.26 -2.60 0.00 3.53 5.15 -0.55 -1.28 115.26 124.78 1u0a n ASN 1025Ca -0.04 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1u0a n ASN 1025Cb 0.50 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.47 1u0a n ASN 1025CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u0a n GLY 1026N -1.67 0.76 3.44 8.20 0.00 -0.21 -4.77 105.19 110.93 1u0a n GLY 1026Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1u0a n GLY 1026CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u0a s VAL 1027N -3.16 4.85 0.00 1.61 1.01 -0.40 -5.04 120.40 119.27 1u0a s VAL 1027Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1u0a s VAL 1027Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1u0a s VAL 1027CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1u0a n GLY 1028N 5.04 1.06 2.16 4.51 0.00 -1.26 -1.83 105.19 114.87 1u0a n GLY 1028Ca -0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1u0a n GLY 1028CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0a n GLY 1029N 5.00 0.15 0.28 -0.02 0.00 -1.26 -4.93 105.19 104.41 1u0a n GLY 1029Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1u0a n GLY 1029CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u0a n HIS 1030N -3.86 0.25 -1.65 1.61 8.25 -1.26 -5.07 115.22 113.49 1u0a n HIS 1030Ca -0.07 -0.96 -0.47 0.00 -0.26 0.00 0.00 57.72 55.97 1u0a n HIS 1030Cb 0.56 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 1u0a n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1u0a n GLU 1031N -1.17 1.91 -3.93 -0.41 4.71 -1.26 -4.58 120.64 115.91 1u0a n GLU 1031Ca 0.17 0.69 -0.23 0.00 -0.01 0.00 0.00 57.16 57.77 1u0a n GLU 1031Cb 0.70 -2.42 -0.17 0.00 -1.01 0.00 0.00 31.44 28.53 1u0a n GLU 1031CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1u0a s LYS 1032N 0.72 0.97 -0.19 3.49 2.47 -0.09 -4.99 119.74 122.12 1u0a s LYS 1032Ca 0.79 -0.06 -0.09 0.00 -1.56 0.00 0.00 55.97 55.05 1u0a s LYS 1032Cb -0.74 -1.14 -0.05 0.00 -1.46 0.00 0.00 37.83 34.44 1u0a s LYS 1032CO 0.41 -0.23 0.12 0.08 0.16 0.00 0.00 175.35 175.88 1u0a s VAL 1033N 1.61 5.29 -0.05 4.02 1.01 -1.26 -0.58 120.40 130.44 1u0a s VAL 1033Ca 0.01 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1u0a s VAL 1033Cb -0.13 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1u0a s VAL 1033CO -0.05 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.68 1u0a s ILE 1034N 0.30 1.63 -0.17 2.22 -1.09 -0.00 -4.96 121.20 119.11 1u0a s ILE 1034Ca 0.07 -0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 57.39 1u0a s ILE 1034Cb -0.11 -1.39 -0.01 0.00 -1.58 0.00 0.00 42.46 39.37 1u0a s ILE 1034CO -0.01 0.46 0.94 -0.44 -1.23 0.00 0.00 174.94 174.66 1u0a s SER 1035N -0.00 7.07 0.18 3.58 0.01 -1.26 -1.17 113.70 122.11 1u0a s SER 1035Ca -0.04 1.33 0.06 0.00 1.31 0.00 0.00 55.95 58.61 1u0a s SER 1035Cb -0.12 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1u0a s SER 1035CO 0.03 -0.50 1.41 -0.07 0.41 0.00 0.00 173.24 174.51 1u0a h LEU 1036N 8.64 0.10 0.00 2.44 3.38 -1.42 -3.48 115.31 124.98 1u0a h LEU 1036Ca -0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1u0a h LEU 1036Cb 1.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1u0a h LEU 1036CO 0.89 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.93 1u0a n GLY 1037N 0.86 0.75 3.67 0.83 0.00 -1.26 -5.03 105.19 105.02 1u0a n GLY 1037Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1u0a n GLY 1037CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u0a s PHE 1038N -2.00 -0.12 -0.45 1.61 -0.71 -1.26 -5.12 117.98 109.93 1u0a s PHE 1038Ca 0.00 -0.08 -0.18 0.00 -1.04 0.00 0.00 56.93 55.62 1u0a s PHE 1038Cb 0.00 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.43 1u0a s PHE 1038CO 0.00 -0.57 0.53 0.34 -1.34 0.00 0.00 175.22 174.18 1u0a s ASP 1039N -2.86 6.23 0.59 1.98 3.68 -1.26 -4.24 116.67 120.78 1u0a s ASP 1039Ca 0.12 -0.69 0.29 0.00 2.13 0.00 0.00 52.55 54.40 1u0a s ASP 1039Cb 0.01 -2.26 1.75 0.00 -1.45 0.00 0.00 42.92 40.97 1u0a s ASP 1039CO -0.01 -0.71 2.21 0.00 0.13 0.00 0.00 175.17 176.79 1u0a h ALA 1040N 8.83 1.64 0.00 3.66 0.00 -0.95 -1.84 119.26 130.60 1u0a h ALA 1040Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u0a h ALA 1040Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u0a h ALA 1040CO 0.86 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.90 1u0a n SER 1041N -3.88 0.00 -1.00 0.00 3.41 -1.26 -3.48 113.62 107.42 1u0a n SER 1041Ca -0.02 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1u0a n SER 1041Cb 0.15 -0.37 0.20 0.00 -0.26 0.00 0.00 64.21 63.93 1u0a n SER 1041CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u0a n LYS 1042N -1.37 2.34 -3.76 4.33 5.02 -0.69 -4.83 118.16 119.20 1u0a n LYS 1042Ca 0.09 -1.99 0.03 0.00 -2.02 0.00 0.00 58.31 54.42 1u0a n LYS 1042Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1u0a n LYS 1042CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1u0a s GLY 1043N -1.74 -0.35 -0.10 0.72 0.00 -1.23 -5.11 107.32 99.52 1u0a s GLY 1043Ca 0.34 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 45.42 1u0a s GLY 1043CO 0.31 2.75 0.50 -1.36 0.00 0.00 0.00 173.10 175.30 1u0a s PHE 1044N -2.10 3.54 0.19 1.90 0.08 -1.26 -4.39 117.98 115.94 1u0a s PHE 1044Ca 0.22 0.95 0.02 0.00 0.12 0.00 0.00 56.93 58.24 1u0a s PHE 1044Cb 0.04 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1u0a s PHE 1044CO -0.04 0.20 0.01 -1.01 -0.10 0.00 0.00 175.22 174.27 1u0a s HIS 1045N 0.48 1.33 -0.21 0.36 3.76 -1.15 -4.92 115.29 114.94 1u0a s HIS 1045Ca 0.27 -1.00 -0.08 0.00 -0.15 0.00 0.00 55.06 54.10 1u0a s HIS 1045Cb -0.16 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 1u0a s HIS 1045CO 0.12 -0.17 0.08 0.99 -0.85 0.00 0.00 174.74 174.91 1u0a s THR 1046N -3.60 4.74 0.08 1.30 2.01 -1.26 -2.24 115.64 116.67 1u0a s THR 1046Ca 0.26 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.30 1u0a s THR 1046Cb 0.06 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1u0a s THR 1046CO 0.06 0.40 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.88 1u0a s TYR 1047N 0.85 2.48 0.11 4.92 1.51 0.74 0.40 117.35 128.35 1u0a s TYR 1047Ca 0.04 -0.30 -0.17 0.00 -1.01 0.00 0.00 57.07 55.64 1u0a s TYR 1047Cb -0.13 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1u0a s TYR 1047CO 0.02 0.28 0.41 0.00 -1.11 0.00 0.00 175.55 175.15 1u0a s ALA 1048N -0.99 -0.96 0.00 3.71 0.00 -0.38 -1.04 121.76 122.10 1u0a s ALA 1048Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1u0a s ALA 1048Cb -0.10 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1u0a s ALA 1048CO 0.06 -0.61 -0.05 -0.59 0.00 0.00 0.00 175.76 174.58 1u0a s PHE 1049N -3.52 0.45 -0.30 0.00 -0.71 -0.11 -0.78 117.98 113.00 1u0a s PHE 1049Ca 0.01 -0.13 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1u0a s PHE 1049Cb 0.01 -0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 1u0a s PHE 1049CO -0.10 -0.02 0.09 0.34 -1.34 0.00 0.00 175.22 174.20 1u0a s ASP 1050N -0.28 5.20 -0.30 1.98 2.15 0.75 -0.57 116.67 125.60 1u0a s ASP 1050Ca 0.00 -0.76 -0.10 0.00 0.43 0.00 0.00 52.55 52.13 1u0a s ASP 1050Cb -0.03 -1.89 -0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1u0a s ASP 1050CO -0.00 -0.22 0.15 0.86 -0.17 0.00 0.00 175.17 175.79 1u0a s TRP 1051N 1.50 3.17 0.19 -5.34 -0.00 -0.20 -1.58 118.94 116.67 1u0a s TRP 1051Ca 0.02 -0.45 0.03 0.00 -0.00 0.00 0.00 56.10 55.70 1u0a s TRP 1051Cb -0.18 -2.34 -0.05 0.00 -0.00 0.00 0.00 33.47 30.90 1u0a s TRP 1051CO 0.03 -0.40 -0.01 -0.65 -0.00 0.00 0.00 176.95 175.92 1u0a s GLN 1052N 1.64 1.17 0.36 5.86 -1.52 0.08 -0.53 119.66 126.73 1u0a s GLN 1052Ca 0.05 -1.57 0.12 0.00 -1.95 0.00 0.00 55.36 52.02 1u0a s GLN 1052Cb -0.17 -0.40 0.92 0.00 -0.22 0.00 0.00 33.01 33.15 1u0a s GLN 1052CO 0.07 -0.10 1.81 -1.35 -0.25 0.00 0.00 175.29 175.47 1u0a h PRO 1053N 2.64 0.56 -0.03 2.91 0.11 -1.98 -2.37 132.00 133.85 1u0a h PRO 1053Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1u0a h PRO 1053Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1u0a h PRO 1053CO 0.63 0.37 -0.11 0.41 -0.21 0.00 0.00 178.00 179.09 1u0a n GLY 1054N -1.43 0.74 3.58 -0.55 0.00 -1.26 -4.71 105.19 101.56 1u0a n GLY 1054Ca 0.22 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1u0a n GLY 1054CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u0a s TYR 1055N -2.08 -0.26 -0.09 1.61 -0.85 -0.89 -4.50 117.35 110.28 1u0a s TYR 1055Ca 0.25 0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.92 1u0a s TYR 1055Cb 0.19 0.56 0.01 0.00 0.38 0.00 0.00 41.96 43.10 1u0a s TYR 1055CO 0.36 -0.58 -0.18 0.42 -1.52 0.00 0.00 175.55 174.05 1u0a s ILE 1056N -3.08 1.66 -0.08 -3.49 1.01 -0.59 -0.74 121.20 115.89 1u0a s ILE 1056Ca 0.08 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1u0a s ILE 1056Cb -0.01 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1u0a s ILE 1056CO -0.06 0.47 -0.22 -0.54 0.00 0.00 0.00 174.94 174.59 1u0a s LYS 1057N 0.59 2.63 -0.07 2.79 1.02 -0.62 -1.14 119.74 124.95 1u0a s LYS 1057Ca -0.15 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.04 1u0a s LYS 1057Cb -0.17 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1u0a s LYS 1057CO 0.05 0.23 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.06 1u0a s TRP 1058N 0.19 2.95 0.10 3.18 0.51 -0.37 -0.18 118.94 125.32 1u0a s TRP 1058Ca -0.12 0.02 0.07 0.00 -2.12 0.00 0.00 56.10 53.94 1u0a s TRP 1058Cb -0.16 -1.72 -0.03 0.00 -0.81 0.00 0.00 33.47 30.75 1u0a s TRP 1058CO 0.06 0.33 -0.17 0.71 -0.51 0.00 0.00 176.95 177.37 1u0a s TYR 1059N -0.77 1.48 -0.11 -1.98 1.51 0.04 -0.29 117.35 117.23 1u0a s TYR 1059Ca 0.12 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1u0a s TYR 1059Cb -0.11 -0.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1u0a s TYR 1059CO 0.02 0.14 -0.04 0.08 -1.11 0.00 0.00 175.55 174.63 1u0a s VAL 1060N -1.45 0.79 -1.63 0.71 1.01 -0.56 -1.26 120.40 118.01 1u0a s VAL 1060Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1u0a s VAL 1060Cb -0.09 -0.89 0.12 0.00 0.00 0.00 0.00 36.38 35.53 1u0a s VAL 1060CO 0.03 0.29 0.77 0.47 0.00 0.00 0.00 175.10 176.67 1u0a n ASP 1061N 5.01 -3.17 0.00 3.32 8.00 0.16 -1.35 116.55 128.53 1u0a n ASP 1061Ca -0.10 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1u0a n ASP 1061Cb 0.50 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.58 1u0a n ASP 1061CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0a n GLY 1062N -1.54 1.49 3.69 0.44 0.00 -1.26 -5.01 105.19 103.00 1u0a n GLY 1062Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1u0a n GLY 1062CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u0a s VAL 1063N -3.44 5.20 -0.03 1.61 1.01 -0.46 -5.03 120.40 119.27 1u0a s VAL 1063Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1u0a s VAL 1063Cb 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1u0a s VAL 1063CO 0.00 0.27 1.72 -0.22 0.00 0.00 0.00 175.10 176.87 1u0a s LEU 1064N 1.13 4.35 -0.01 3.92 2.96 -1.26 -1.50 118.68 128.26 1u0a s LEU 1064Ca 0.20 2.35 0.08 0.00 -0.22 0.00 0.00 54.13 56.54 1u0a s LEU 1064Cb -0.15 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.89 1u0a s LEU 1064CO 0.08 -0.95 0.18 0.29 -1.32 0.00 0.00 176.35 174.63 1u0a n LYS 1065N 7.11 0.44 -3.59 1.98 4.76 0.60 -4.96 118.16 124.50 1u0a n LYS 1065Ca 0.18 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.42 1u0a n LYS 1065Cb 0.42 -1.18 -0.06 0.00 -1.84 0.00 0.00 35.03 32.38 1u0a n LYS 1065CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1u0a s HIS 1066N -2.52 -0.53 -0.01 2.13 2.46 -1.17 -5.00 115.29 110.65 1u0a s HIS 1066Ca -0.03 1.09 0.02 0.00 0.47 0.00 0.00 55.06 56.61 1u0a s HIS 1066Cb 0.05 0.39 -0.01 0.00 -0.13 0.00 0.00 32.58 32.89 1u0a s HIS 1066CO 0.33 -0.38 -0.07 0.99 -2.47 0.00 0.00 174.74 173.14 1u0a s THR 1067N -0.55 0.59 0.08 0.89 2.01 -1.26 -1.24 115.64 116.16 1u0a s THR 1067Ca -0.02 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1u0a s THR 1067Cb -0.02 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1u0a s THR 1067CO 0.01 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 173.91 1u0a s ALA 1068N -0.19 1.71 0.00 7.40 0.00 -0.29 -5.00 121.76 125.38 1u0a s ALA 1068Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1u0a s ALA 1068Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1u0a s ALA 1068CO -0.00 0.35 0.04 0.25 0.00 0.00 0.00 175.76 176.40 1u0a n THR 1069N 1.42 0.00 -3.90 0.00 -2.24 -1.26 -1.55 114.28 106.74 1u0a n THR 1069Ca -0.19 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 1u0a n THR 1069Cb 0.54 1.64 -0.09 0.00 -2.10 0.00 0.00 70.33 70.32 1u0a n THR 1069CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u0a s ALA 1070N -0.03 3.56 -1.14 6.98 0.00 -1.26 -4.64 121.76 125.22 1u0a s ALA 1070Ca 0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1u0a s ALA 1070Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1u0a s ALA 1070CO 0.00 0.23 0.79 -1.71 0.00 0.00 0.00 175.76 175.07 1u0a n ASN 1071N 3.32 -5.17 -4.75 0.00 5.15 -1.26 -4.91 115.26 107.64 1u0a n ASN 1071Ca -0.17 -0.99 -0.40 0.00 -0.60 0.00 0.00 54.58 52.42 1u0a n ASN 1071Cb 0.52 -3.51 -0.06 0.00 -0.53 0.00 0.00 39.78 36.21 1u0a n ASN 1071CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1u0a s ILE 1072N -3.48 3.99 0.71 -1.44 -1.09 -1.26 -4.71 121.20 113.92 1u0a s ILE 1072Ca 0.45 2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 60.71 1u0a s ILE 1072Cb -0.15 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1u0a s ILE 1072CO 0.85 0.47 0.98 -2.65 -1.23 0.00 0.00 174.94 173.37 1u0a n PRO 1073N 1.48 0.55 0.00 2.79 -0.02 -1.26 -4.95 135.00 133.59 1u0a n PRO 1073Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1u0a n PRO 1073Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1u0a n PRO 1073CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u0a n SER 1074N -1.66 0.16 -4.55 2.55 3.41 -1.26 -4.90 113.62 107.38 1u0a n SER 1074Ca 0.13 -0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 57.72 1u0a n SER 1074Cb 0.49 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1u0a n SER 1074CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1u0a s THR 1075N -0.13 5.24 0.46 6.66 2.01 -1.26 -5.03 115.64 123.60 1u0a s THR 1075Ca 0.00 -0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1u0a s THR 1075Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 1u0a s THR 1075CO 0.00 0.02 1.17 -2.65 -0.69 0.00 0.00 174.62 172.47 1u0a n PRO 1076N 5.21 1.60 -4.26 4.92 -0.02 -1.26 -4.85 135.00 136.34 1u0a n PRO 1076Ca -0.11 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.77 1u0a n PRO 1076Cb 0.50 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1u0a n PRO 1076CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1u0a s GLY 1077N -0.74 2.09 0.33 -1.23 0.00 -0.86 -4.75 107.32 102.15 1u0a s GLY 1077Ca 0.65 -1.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 1u0a s GLY 1077CO 0.55 -1.44 0.81 0.54 0.00 0.00 0.00 173.10 173.56 1u0a s LYS 1078N -3.61 4.18 -0.05 2.90 1.02 -0.21 0.02 119.74 123.98 1u0a s LYS 1078Ca 0.40 0.90 -0.25 0.00 0.02 0.00 0.00 55.97 57.04 1u0a s LYS 1078Cb 0.03 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1u0a s LYS 1078CO 0.24 0.17 0.76 0.42 -0.92 0.00 0.00 175.35 176.01 1u0a s ILE 1079N -1.90 5.01 0.06 2.17 1.01 -1.26 -0.95 121.20 125.35 1u0a s ILE 1079Ca 0.53 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.77 1u0a s ILE 1079Cb -0.12 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1u0a s ILE 1079CO 0.18 0.23 -0.07 -0.04 0.00 0.00 0.00 174.94 175.24 1u0a s MET 1080N 0.84 0.62 -0.02 2.79 -1.94 0.12 -0.68 119.30 121.04 1u0a s MET 1080Ca 0.40 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1u0a s MET 1080Cb -0.18 -0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.45 1u0a s MET 1080CO 0.20 0.01 -0.02 -1.64 -0.01 0.00 0.00 175.02 173.57 1u0a s MET 1081N -2.43 0.34 0.15 2.03 -1.94 -0.37 -0.90 119.30 116.18 1u0a s MET 1081Ca -0.02 -0.03 -0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1u0a s MET 1081Cb -0.04 -0.42 -0.01 0.00 2.01 0.00 0.00 34.83 36.37 1u0a s MET 1081CO -0.02 -0.03 0.26 0.54 -0.01 0.00 0.00 175.02 175.76 1u0a s ASN 1082N 0.50 0.07 -0.03 3.03 2.20 -1.22 -0.89 114.94 118.59 1u0a s ASN 1082Ca -0.05 -0.85 -0.00 0.00 -0.94 0.00 0.00 52.86 51.01 1u0a s ASN 1082Cb -0.08 0.41 0.03 0.00 -2.00 0.00 0.00 41.25 39.61 1u0a s ASN 1082CO -0.01 -0.86 0.02 -0.22 -2.94 0.00 0.00 177.10 173.09 1u0a s LEU 1083N -2.96 0.97 0.15 3.54 2.96 -0.50 -1.03 118.68 121.81 1u0a s LEU 1083Ca 0.16 0.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.87 1u0a s LEU 1083Cb 0.04 -0.18 0.05 0.00 0.50 0.00 0.00 46.19 46.60 1u0a s LEU 1083CO -0.02 -0.13 0.51 -1.66 -1.32 0.00 0.00 176.35 173.73 1u0a s TRP 1084N 1.24 -0.38 -0.09 5.38 1.48 -0.62 -2.96 118.94 123.00 1u0a s TRP 1084Ca -0.07 0.11 -0.02 0.00 -1.06 0.00 0.00 56.10 55.07 1u0a s TRP 1084Cb -0.13 0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 32.56 1u0a s TRP 1084CO -0.02 -0.78 0.00 0.54 -4.06 0.00 0.00 176.95 172.62 1u0a s ASN 1085N -2.78 5.25 0.30 -2.66 4.22 -1.26 -1.24 114.94 116.77 1u0a s ASN 1085Ca 0.02 0.14 -0.02 0.00 -2.14 0.00 0.00 52.86 50.87 1u0a s ASN 1085Cb 0.00 -1.49 -0.04 0.00 1.28 0.00 0.00 41.25 41.00 1u0a s ASN 1085CO -0.12 0.37 0.53 -0.83 -2.04 0.00 0.00 177.10 175.01 1u0a s GLY 1086N -0.86 1.62 0.01 0.45 0.00 -0.29 -1.35 107.32 106.91 1u0a s GLY 1086Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1u0a s GLY 1086CO 0.02 -0.68 -0.04 -1.08 0.00 0.00 0.00 173.10 171.33 1u0a s THR 1087N -2.15 0.28 0.00 0.90 -1.32 -0.31 -4.54 115.64 108.50 1u0a s THR 1087Ca 0.41 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1u0a s THR 1087Cb -0.10 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1u0a s THR 1087CO 0.33 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1u0a n GLY 1088N 2.41 0.57 2.60 6.08 0.00 -1.26 -4.42 105.19 111.18 1u0a n GLY 1088Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1u0a n GLY 1088CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u0a n VAL 1089N -2.71 1.54 0.03 1.61 0.24 -1.26 -4.91 118.33 112.87 1u0a n VAL 1089Ca 0.00 -3.42 0.04 0.00 -2.04 0.00 0.00 64.34 58.93 1u0a n VAL 1089Cb 0.03 0.40 0.45 0.00 -1.47 0.00 0.00 33.84 33.25 1u0a n VAL 1089CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1u0a h ASP 1090N 2.64 0.42 -0.07 -1.34 5.19 -1.91 -0.29 116.42 121.06 1u0a h ASP 1090Ca 0.01 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1u0a h ASP 1090Cb 1.25 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1u0a h ASP 1090CO 0.45 0.31 -0.18 0.44 -3.12 0.00 0.00 179.24 177.14 1u0a h ASP 1091N 0.49 0.43 0.00 6.45 3.32 -1.91 0.30 116.42 125.51 1u0a h ASP 1091Ca 0.13 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1u0a h ASP 1091Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1u0a h ASP 1091CO -0.03 0.63 -0.48 -0.25 -1.72 0.00 0.00 179.24 177.39 1u0a h TRP 1092N 0.40 0.00 -0.01 4.55 7.01 -1.74 -3.40 115.95 122.77 1u0a h TRP 1092Ca 0.07 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1u0a h TRP 1092Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1u0a h TRP 1092CO 0.02 1.12 -0.51 1.28 -2.79 0.00 0.00 178.44 177.56 1u0a n LEU 1093N -4.55 1.51 -0.06 0.65 4.77 -0.20 -5.02 117.00 114.10 1u0a n LEU 1093Ca -0.18 -0.69 0.01 0.00 -0.03 0.00 0.00 56.01 55.12 1u0a n LEU 1093Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1u0a n LEU 1093CO 0.26 0.30 -0.03 0.61 -1.33 0.00 0.00 177.39 177.21 1u0a n GLY 1094N 1.30 -2.66 3.75 -0.72 0.00 0.11 -0.75 105.19 106.21 1u0a n GLY 1094Ca 0.06 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1u0a n GLY 1094CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u0a s SER 1095N -4.07 7.13 0.09 1.61 0.15 -1.26 -3.63 113.70 113.72 1u0a s SER 1095Ca 0.00 2.30 -0.29 0.00 0.70 0.00 0.00 55.95 58.66 1u0a s SER 1095Cb 0.00 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1u0a s SER 1095CO 0.00 -0.29 0.93 -0.47 1.20 0.00 0.00 173.24 174.61 1u0a s TYR 1096N -0.65 3.79 -0.21 3.44 5.04 -1.26 -3.61 117.35 123.89 1u0a s TYR 1096Ca 0.49 1.73 0.16 0.00 -2.44 0.00 0.00 57.07 57.01 1u0a s TYR 1096Cb -0.33 -3.02 0.61 0.00 0.35 0.00 0.00 41.96 39.57 1u0a s TYR 1096CO 0.40 0.20 1.51 0.27 -1.34 0.00 0.00 175.55 176.60 1u0a n ASN 1097N 2.88 4.40 -0.01 4.32 6.94 -1.26 -4.96 115.26 127.57 1u0a n ASN 1097Ca 0.02 -2.98 -0.00 0.00 -0.02 0.00 0.00 54.58 51.59 1u0a n ASN 1097Cb 0.49 -0.58 -0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1u0a n ASN 1097CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u0a n GLY 1098N -0.18 0.30 3.74 4.83 0.00 -1.26 -4.96 105.19 107.66 1u0a n GLY 1098Ca 0.23 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1u0a n GLY 1098CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0a s ALA 1099N -1.58 3.77 -0.05 4.61 0.00 -1.26 -4.97 121.76 122.29 1u0a s ALA 1099Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 1u0a s ALA 1099Cb 0.00 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.55 1u0a s ALA 1099CO 0.00 -0.94 0.73 0.54 0.00 0.00 0.00 175.76 176.09 1u0a s ASN 1100N 0.65 -0.59 0.58 0.00 2.20 -1.26 -4.54 114.94 111.97 1u0a s ASN 1100Ca 0.65 0.57 -0.11 0.00 -0.94 0.00 0.00 52.86 53.04 1u0a s ASN 1100Cb -0.47 0.50 -0.05 0.00 -2.00 0.00 0.00 41.25 39.23 1u0a s ASN 1100CO 0.44 -0.60 0.98 -2.16 -2.94 0.00 0.00 177.10 172.82 1u0a s PRO 1101N -1.49 3.65 0.09 3.55 0.04 -1.26 -5.02 135.00 134.55 1u0a s PRO 1101Ca -0.08 0.70 0.06 0.00 0.04 0.00 0.00 61.00 61.72 1u0a s PRO 1101Cb -0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1u0a s PRO 1101CO 0.06 -0.46 -0.17 -0.51 0.04 0.00 0.00 177.00 175.96 1u0a s LEU 1102N -4.93 2.30 0.00 -3.56 1.43 -0.41 -4.98 118.68 108.54 1u0a s LEU 1102Ca 0.54 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1u0a s LEU 1102Cb -0.11 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1u0a s LEU 1102CO 0.49 -0.03 -0.02 -0.31 0.23 0.00 0.00 176.35 176.71 1u0a s TYR 1103N -1.30 0.17 -0.10 0.29 1.51 -1.26 -0.56 117.35 116.10 1u0a s TYR 1103Ca 0.02 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1u0a s TYR 1103Cb -0.10 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1u0a s TYR 1103CO 0.03 -0.04 -0.12 0.00 -1.11 0.00 0.00 175.55 174.32 1u0a s ALA 1104N -0.34 2.72 0.09 3.71 0.00 -0.53 -3.35 121.76 124.06 1u0a s ALA 1104Ca -0.03 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.12 1u0a s ALA 1104Cb -0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1u0a s ALA 1104CO -0.00 0.38 -0.24 -1.21 0.00 0.00 0.00 175.76 174.68 1u0a s GLU 1105N -0.11 1.69 -0.05 0.00 2.02 -0.34 -0.64 118.70 121.27 1u0a s GLU 1105Ca -0.01 -1.19 -0.00 0.00 0.02 0.00 0.00 54.97 53.79 1u0a s GLU 1105Cb -0.14 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1u0a s GLU 1105CO 0.03 0.49 -0.00 0.71 0.02 0.00 0.00 175.26 176.51 1u0a s TYR 1106N -0.97 0.47 -0.09 1.61 1.51 -0.02 -0.51 117.35 119.36 1u0a s TYR 1106Ca 0.14 -0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1u0a s TYR 1106Cb -0.10 -0.58 -0.26 0.00 -0.11 0.00 0.00 41.96 40.91 1u0a s TYR 1106CO 0.05 -0.21 0.48 0.22 -1.11 0.00 0.00 175.55 174.98 1u0a h ASP 1107N 7.71 0.36 -4.64 2.29 3.58 -1.04 0.21 116.42 124.88 1u0a h ASP 1107Ca -0.31 -0.76 0.09 0.00 0.42 0.00 0.00 57.03 56.47 1u0a h ASP 1107Cb 1.13 -0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.91 1u0a h ASP 1107CO 0.37 1.67 0.46 -1.66 -2.88 0.00 0.00 179.24 177.20 1u0a s TRP 1108N -2.57 -0.38 0.02 0.28 1.48 -1.23 -4.30 118.94 112.24 1u0a s TRP 1108Ca -0.18 0.29 0.04 0.00 -1.06 0.00 0.00 56.10 55.19 1u0a s TRP 1108Cb 0.07 0.53 -0.02 0.00 -1.16 0.00 0.00 33.47 32.89 1u0a s TRP 1108CO 0.79 -0.56 -0.12 0.08 -4.06 0.00 0.00 176.95 173.09 1u0a s VAL 1109N -2.94 0.91 -0.01 -0.66 1.01 -0.27 -2.07 120.40 116.37 1u0a s VAL 1109Ca 0.03 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1u0a s VAL 1109Cb -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1u0a s VAL 1109CO -0.08 0.05 -0.02 -0.75 0.00 0.00 0.00 175.10 174.30 1u0a s LYS 1110N -0.81 0.25 -0.08 2.72 2.20 0.22 -0.31 119.74 123.93 1u0a s LYS 1110Ca 0.01 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1u0a s LYS 1110Cb -0.06 -0.30 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 1u0a s LYS 1110CO 0.00 -0.00 -0.17 -0.47 -0.36 0.00 0.00 175.35 174.36 1u0a s TYR 1111N 0.28 1.87 -0.24 4.03 5.04 -0.58 -0.83 117.35 126.91 1u0a s TYR 1111Ca -0.03 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.89 1u0a s TYR 1111Cb -0.05 -1.30 0.04 0.00 0.35 0.00 0.00 41.96 40.99 1u0a s TYR 1111CO -0.01 -0.32 -0.10 0.99 -1.34 0.00 0.00 175.55 174.77 1u0a s THR 1112N 0.52 2.50 0.95 4.34 2.01 0.01 -1.29 115.64 124.68 1u0a s THR 1112Ca -0.16 -1.21 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 1u0a s THR 1112Cb -0.16 -2.29 0.16 0.00 0.01 0.00 0.00 72.50 70.21 1u0a s THR 1112CO 0.06 0.18 1.12 -0.94 -0.69 0.00 0.00 174.62 174.35 1u0a s SER 1113N 1.25 3.12 0.00 3.53 1.04 -1.26 -1.13 113.70 120.24 1u0a s SER 1113Ca -0.02 1.07 0.31 0.00 0.48 0.00 0.00 55.95 57.79 1u0a s SER 1113Cb -0.17 -1.69 1.87 0.00 0.10 0.00 0.00 66.02 66.14 1u0a s SER 1113CO -0.06 -2.81 2.20 0.59 0.98 0.00 0.00 173.24 174.14