#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqr n HIS 895 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.70 115.22 110.87 2qqr n HIS 895 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2qqr n HIS 895 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2qqr n HIS 895 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2qqr n GLN 897 N 0.00 0.00 -3.18 1.57 1.13 -1.26 -5.18 117.38 110.46 2qqr n GLN 897 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2qqr n GLN 897 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 2qqr n GLN 897 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2qqr s SER 898 N 0.00 7.05 -0.16 1.08 0.01 -1.26 -5.07 113.70 115.35 2qqr s SER 898 Ca 0.00 1.33 -0.06 0.00 1.31 0.00 0.00 55.95 58.53 2qqr s SER 898 Cb 0.00 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2qqr s SER 898 CO 0.00 0.12 0.06 -0.63 0.41 0.00 0.00 173.24 173.20 2qqr s ILE 899 N -1.37 4.77 0.23 1.44 -1.09 -1.26 -5.10 121.20 118.82 2qqr s ILE 899 Ca 0.38 -0.05 0.11 0.00 -2.23 0.00 0.00 60.65 58.86 2qqr s ILE 899 Cb -0.18 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 2qqr s ILE 899 CO 0.21 0.50 -0.21 0.42 -1.23 0.00 0.00 174.94 174.64 2qqr s THR 900 N 0.01 2.28 0.44 2.92 -4.23 -1.26 -5.07 115.64 110.72 2qqr s THR 900 Ca 0.06 -2.20 -0.26 0.00 -1.18 0.00 0.00 61.69 58.10 2qqr s THR 900 Cb -0.12 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 2qqr s THR 900 CO 0.01 -0.32 1.45 0.00 -0.54 0.00 0.00 174.62 175.22 2qqr s ALA 901 N -2.22 3.31 0.00 3.99 0.00 -1.26 -2.16 121.76 123.41 2qqr s ALA 901 Ca 0.24 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2qqr s ALA 901 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2qqr s ALA 901 CO 0.11 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.09 2qqr n GLY 902 N 0.54 1.28 3.74 0.00 0.00 0.14 -5.00 105.19 105.89 2qqr n GLY 902 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qqr n GLY 902 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qqr s GLN 903 N -0.56 4.69 0.12 1.61 0.74 -0.92 -4.76 119.66 120.58 2qqr s GLN 903 Ca 0.00 1.38 -0.30 0.00 0.05 0.00 0.00 55.36 56.48 2qqr s GLN 903 Cb 0.00 -3.35 -0.07 0.00 1.10 0.00 0.00 33.01 30.70 2qqr s GLN 903 CO 0.00 0.31 1.16 0.15 -0.55 0.00 0.00 175.29 176.36 2qqr s LYS 904 N -0.34 4.50 0.26 1.67 -0.14 -1.26 -1.17 119.74 123.26 2qqr s LYS 904 Ca 0.43 1.76 0.06 0.00 -1.36 0.00 0.00 55.97 56.86 2qqr s LYS 904 Cb -0.23 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 2qqr s LYS 904 CO 0.29 -0.11 0.23 1.33 -0.76 0.00 0.00 175.35 176.33 2qqr n VAL 905 N 3.15 0.00 -5.08 3.17 0.24 0.28 -4.50 118.33 115.60 2qqr n VAL 905 Ca 0.06 -1.91 -0.30 0.00 -2.04 0.00 0.00 64.34 60.15 2qqr n VAL 905 Cb 0.46 0.97 -0.17 0.00 -1.47 0.00 0.00 33.84 33.63 2qqr n VAL 905 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qqr s ILE 906 N -3.06 1.82 0.19 1.34 1.01 0.73 -0.69 121.20 122.55 2qqr s ILE 906 Ca 0.31 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 2qqr s ILE 906 Cb 0.01 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2qqr s ILE 906 CO 0.22 0.51 0.48 -0.55 0.00 0.00 0.00 174.94 175.60 2qqr s SER 907 N 0.19 -0.20 -0.05 3.58 0.15 -0.63 -1.07 113.70 115.68 2qqr s SER 907 Ca -0.11 -0.58 -0.30 0.00 0.70 0.00 0.00 55.95 55.66 2qqr s SER 907 Cb -0.15 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2qqr s SER 907 CO 0.06 -1.04 1.18 -0.54 1.20 0.00 0.00 173.24 174.10 2qqr s LYS 908 N -3.90 4.37 0.87 5.44 1.02 -1.26 -1.89 119.74 124.39 2qqr s LYS 908 Ca 0.11 1.65 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 2qqr s LYS 908 Cb -0.00 -3.54 0.12 0.00 -0.52 0.00 0.00 37.83 33.89 2qqr s LYS 908 CO -0.01 -0.41 1.10 -1.58 -0.92 0.00 0.00 175.35 173.52 2qqr s HIS 909 N 2.07 2.22 0.60 3.18 5.65 -0.15 -4.89 115.29 123.97 2qqr s HIS 909 Ca 0.55 1.45 0.30 0.00 0.25 0.00 0.00 55.06 57.62 2qqr s HIS 909 Cb -0.24 -3.15 1.73 0.00 -1.18 0.00 0.00 32.58 29.74 2qqr s HIS 909 CO 0.22 -2.36 2.12 1.57 -0.65 0.00 0.00 174.74 175.64 2qqr h LYS 910 N -1.53 0.00 0.00 2.88 2.10 -1.95 -0.20 116.57 117.87 2qqr h LYS 910 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2qqr h LYS 910 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qqr h LYS 910 CO 0.51 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.23 2qqr n ASN 911 N -3.68 0.00 0.00 7.07 0.23 -1.26 -4.89 115.26 112.73 2qqr n ASN 911 Ca 0.01 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 2qqr n ASN 911 Cb 0.30 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 2qqr n ASN 911 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qqr n GLY 912 N 0.26 0.72 3.82 4.83 0.00 -0.09 -5.07 105.19 109.67 2qqr n GLY 912 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2qqr n GLY 912 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qqr s ARG 913 N -0.59 2.94 0.08 1.61 0.52 -1.26 -4.86 118.95 117.40 2qqr s ARG 913 Ca 0.00 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 2qqr s ARG 913 Cb 0.00 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 2qqr s ARG 913 CO 0.00 0.46 1.01 -0.06 0.02 0.00 0.00 175.30 176.73 2qqr s PHE 914 N -1.86 3.70 0.10 -0.53 0.40 -1.26 -0.98 117.98 117.55 2qqr s PHE 914 Ca 0.32 1.69 0.01 0.00 -0.60 0.00 0.00 56.93 58.35 2qqr s PHE 914 Cb -0.09 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 2qqr s PHE 914 CO 0.24 -0.13 -0.05 0.71 0.70 0.00 0.00 175.22 176.69 2qqr s TYR 915 N 0.39 0.89 0.40 0.36 1.51 -0.79 -4.94 117.35 115.17 2qqr s TYR 915 Ca 0.50 -0.95 -0.26 0.00 -1.01 0.00 0.00 57.07 55.36 2qqr s TYR 915 Cb -0.24 -0.52 -0.08 0.00 -0.11 0.00 0.00 41.96 41.00 2qqr s TYR 915 CO 0.30 -0.19 1.21 -1.14 -1.11 0.00 0.00 175.55 174.62 2qqr s GLN 916 N -3.86 4.04 0.24 -0.62 0.74 -1.26 -1.60 119.66 117.33 2qqr s GLN 916 Ca 0.13 1.94 -0.09 0.00 0.05 0.00 0.00 55.36 57.39 2qqr s GLN 916 Cb 0.06 -2.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.44 2qqr s GLN 916 CO -0.04 -0.36 0.38 0.00 -0.55 0.00 0.00 175.29 174.72 2qqr s GLU 918 N -4.02 2.79 -0.23 0.00 2.12 -0.38 -0.55 118.70 118.43 2qqr s GLU 918 Ca 0.27 -0.78 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 2qqr s GLU 918 Cb 0.01 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 2qqr s GLU 918 CO 0.10 0.39 1.42 0.08 -0.54 0.00 0.00 175.26 176.71 2qqr s VAL 919 N -0.16 3.99 -0.06 3.70 1.01 -0.32 -0.86 120.40 127.70 2qqr s VAL 919 Ca -0.02 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 2qqr s VAL 919 Cb -0.14 -3.94 -0.30 0.00 0.00 0.00 0.00 36.38 32.01 2qqr s VAL 919 CO 0.04 -0.33 0.88 0.58 0.00 0.00 0.00 175.10 176.27 2qqr h VAL 920 N 5.91 1.57 -2.32 2.92 2.07 -0.65 0.39 116.25 126.14 2qqr h VAL 920 Ca -0.29 -2.46 -0.08 0.00 0.82 0.00 0.00 66.70 64.69 2qqr h VAL 920 Cb 1.12 3.20 -0.21 0.00 -1.52 0.00 0.00 31.29 33.89 2qqr h VAL 920 CO 1.01 0.68 0.01 -0.60 0.02 0.00 0.00 177.57 178.69 2qqr s ARG 921 N -2.45 0.81 -0.18 1.57 3.52 -1.17 -4.61 118.95 116.46 2qqr s ARG 921 Ca -0.15 0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.74 2qqr s ARG 921 Cb 0.00 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2qqr s ARG 921 CO 0.80 -0.18 0.45 -0.51 -0.81 0.00 0.00 175.30 175.04 2qqr s LEU 922 N -0.47 4.19 0.32 -0.88 1.43 -1.26 -1.08 118.68 120.91 2qqr s LEU 922 Ca -0.06 0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.77 2qqr s LEU 922 Cb -0.03 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2qqr s LEU 922 CO 0.05 -0.08 0.03 0.42 0.23 0.00 0.00 176.35 177.00 2qqr s THR 923 N 1.17 2.97 -0.15 5.49 -4.23 -1.26 -4.98 115.64 114.65 2qqr s THR 923 Ca 0.22 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 2qqr s THR 923 Cb -0.15 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2qqr s THR 923 CO 0.09 -0.26 -0.20 -0.89 -0.54 0.00 0.00 174.62 172.83 2qqr s THR 924 N -2.44 1.93 -0.12 3.99 2.01 -1.26 -4.47 115.64 115.28 2qqr s THR 924 Ca 0.34 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2qqr s THR 924 Cb -0.03 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 2qqr s THR 924 CO 0.20 0.52 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.99 2qqr s GLU 925 N 1.08 3.34 -0.24 4.92 2.02 -0.62 -4.94 118.70 124.25 2qqr s GLU 925 Ca -0.02 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.34 2qqr s GLU 925 Cb -0.14 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 2qqr s GLU 925 CO -0.07 0.38 0.11 0.99 0.02 0.00 0.00 175.26 176.70 2qqr s THR 926 N -0.04 4.82 -0.02 3.63 2.01 -1.26 -0.38 115.64 124.41 2qqr s THR 926 Ca 0.00 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2qqr s THR 926 Cb -0.13 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2qqr s THR 926 CO 0.03 0.34 0.03 -0.36 -0.69 0.00 0.00 174.62 173.96 2qqr s PHE 927 N 1.32 3.15 -0.06 4.92 0.40 -0.52 -4.30 117.98 122.90 2qqr s PHE 927 Ca 0.06 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2qqr s PHE 927 Cb -0.15 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2qqr s PHE 927 CO 0.05 0.49 0.05 0.71 0.70 0.00 0.00 175.22 177.22 2qqr s TYR 928 N -1.09 3.26 -0.12 0.36 4.12 0.84 -1.19 117.35 123.54 2qqr s TYR 928 Ca 0.20 0.24 -0.00 0.00 0.02 0.00 0.00 57.07 57.52 2qqr s TYR 928 Cb -0.12 -1.78 -0.02 0.00 -1.52 0.00 0.00 41.96 38.52 2qqr s TYR 928 CO 0.10 0.54 -0.11 -1.21 0.02 0.00 0.00 175.55 174.88 2qqr s GLU 929 N -1.26 3.25 0.02 -0.62 2.02 0.37 -2.13 118.70 120.36 2qqr s GLU 929 Ca 0.17 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 2qqr s GLU 929 Cb -0.12 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2qqr s GLU 929 CO 0.07 0.32 -0.02 0.14 0.02 0.00 0.00 175.26 175.79 2qqr s VAL 930 N 0.09 0.13 -0.32 2.63 -7.23 -0.31 -0.68 120.40 114.70 2qqr s VAL 930 Ca -0.04 -1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 2qqr s VAL 930 Cb -0.14 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 2qqr s VAL 930 CO 0.04 -0.57 0.27 0.20 -0.31 0.00 0.00 175.10 174.73 2qqr s ASN 931 N -1.68 6.09 0.88 4.85 0.01 -0.29 -1.12 114.94 123.69 2qqr s ASN 931 Ca -0.13 -0.25 -0.11 0.00 -0.71 0.00 0.00 52.86 51.66 2qqr s ASN 931 Cb -0.07 -2.15 0.12 0.00 0.41 0.00 0.00 41.25 39.56 2qqr s ASN 931 CO -0.02 -0.22 1.10 -0.36 -1.51 0.00 0.00 177.10 176.09 2qqr s PHE 932 N 1.82 2.18 0.48 2.20 0.40 0.40 -0.15 117.98 125.31 2qqr s PHE 932 Ca 0.08 1.45 0.33 0.00 -0.60 0.00 0.00 56.93 58.18 2qqr s PHE 932 Cb -0.17 -3.15 1.76 0.00 0.51 0.00 0.00 43.02 41.97 2qqr s PHE 932 CO 0.11 -2.42 2.18 -0.44 0.70 0.00 0.00 175.22 175.35 2qqr h ASP 933 N -1.58 0.00 0.09 1.36 3.32 -1.67 0.17 116.42 118.11 2qqr h ASP 933 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2qqr h ASP 933 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2qqr h ASP 933 CO 0.51 0.05 -0.03 -0.90 -1.72 0.00 0.00 179.24 177.15 2qqr n ASP 934 N -3.51 0.58 0.00 6.45 5.68 -1.26 -4.92 116.55 119.57 2qqr n ASP 934 Ca -0.02 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 2qqr n ASP 934 Cb 0.17 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2qqr n ASP 934 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qqr n GLY 935 N 1.13 0.77 3.78 6.12 0.00 0.58 -5.07 105.19 112.51 2qqr n GLY 935 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2qqr n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qqr s SER 936 N -2.90 5.08 -0.03 1.61 1.04 -1.26 -4.76 113.70 112.47 2qqr s SER 936 Ca 0.00 1.86 0.06 0.00 0.48 0.00 0.00 55.95 58.35 2qqr s SER 936 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2qqr s SER 936 CO 0.00 -1.65 -0.22 0.12 0.98 0.00 0.00 173.24 172.47 2qqr s PHE 937 N -2.63 2.10 -0.07 5.02 5.36 -1.26 -0.46 117.98 126.04 2qqr s PHE 937 Ca 0.63 -0.50 0.05 0.00 -0.96 0.00 0.00 56.93 56.16 2qqr s PHE 937 Cb -0.18 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 2qqr s PHE 937 CO 0.47 -0.11 -0.25 0.45 -1.46 0.00 0.00 175.22 174.32 2qqr s SER 938 N -0.33 3.07 0.00 6.13 0.15 -0.27 -4.99 113.70 117.46 2qqr s SER 938 Ca 0.03 -0.53 0.12 0.00 0.70 0.00 0.00 55.95 56.28 2qqr s SER 938 Cb -0.11 -1.02 0.21 0.00 -1.71 0.00 0.00 66.02 63.39 2qqr s SER 938 CO 0.01 0.22 1.07 -0.90 1.20 0.00 0.00 173.24 174.84 2qqr n ASP 939 N 3.13 2.49 -2.32 5.45 5.75 -1.26 -1.16 116.55 128.63 2qqr n ASP 939 Ca -0.18 -1.73 0.01 0.00 -0.01 0.00 0.00 54.79 52.87 2qqr n ASP 939 Cb 0.52 -0.12 0.04 0.00 -1.03 0.00 0.00 41.12 40.54 2qqr n ASP 939 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2qqr n ASN 940 N 0.68 0.96 -4.79 -1.12 6.94 -1.19 -4.56 115.26 112.17 2qqr n ASN 940 Ca 0.10 -2.03 -0.34 0.00 -0.02 0.00 0.00 54.58 52.29 2qqr n ASN 940 Cb 0.37 -0.27 -0.01 0.00 -2.36 0.00 0.00 39.78 37.52 2qqr n ASN 940 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qqr s LEU 941 N -2.48 3.70 0.20 -4.53 1.02 -0.90 -4.84 118.68 110.85 2qqr s LEU 941 Ca 0.26 1.98 0.00 0.00 0.02 0.00 0.00 54.13 56.39 2qqr s LEU 941 Cb 0.34 -4.56 -0.04 0.00 0.02 0.00 0.00 46.19 41.95 2qqr s LEU 941 CO -0.09 -1.06 0.37 -0.31 0.02 0.00 0.00 176.35 175.28 2qqr s TYR 942 N -2.06 3.48 0.38 0.29 4.12 -1.26 -0.11 117.35 122.19 2qqr s TYR 942 Ca 0.68 0.27 0.12 0.00 0.02 0.00 0.00 57.07 58.16 2qqr s TYR 942 Cb -0.19 -1.79 0.92 0.00 -1.52 0.00 0.00 41.96 39.38 2qqr s TYR 942 CO 0.28 0.40 1.88 -1.35 0.02 0.00 0.00 175.55 176.78 2qqr h PRO 943 N 1.94 0.56 0.00 -1.71 0.11 -1.96 0.42 132.00 131.36 2qqr h PRO 943 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qqr h PRO 943 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qqr h PRO 943 CO 0.67 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 2qqr n GLU 944 N -4.53 0.18 0.04 1.05 0.00 -1.26 -2.08 120.64 114.03 2qqr n GLU 944 Ca 0.17 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.96 2qqr n GLU 944 Cb 0.51 -1.91 0.51 0.00 0.00 0.00 0.00 31.44 30.54 2qqr n GLU 944 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qqr n ASP 945 N -2.26 0.26 -4.64 -1.84 8.00 0.14 -4.56 116.55 111.64 2qqr n ASP 945 Ca 0.01 0.53 -0.43 0.00 0.71 0.00 0.00 54.79 55.61 2qqr n ASP 945 Cb 0.16 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 2qqr n ASP 945 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qqr s ILE 946 N -3.05 4.49 -1.56 0.53 -1.09 -0.89 -0.83 121.20 118.80 2qqr s ILE 946 Ca 0.11 1.74 0.14 0.00 -2.23 0.00 0.00 60.65 60.41 2qqr s ILE 946 Cb 0.15 -4.34 0.21 0.00 -1.58 0.00 0.00 42.46 36.89 2qqr s ILE 946 CO 0.49 -0.40 1.08 1.33 -1.23 0.00 0.00 174.94 176.21 2qqr n VAL 947 N 5.76 0.34 0.85 2.92 0.24 0.26 -4.33 118.33 124.38 2qqr n VAL 947 Ca 0.12 -0.67 0.11 0.00 -2.04 0.00 0.00 64.34 61.87 2qqr n VAL 947 Cb 0.47 1.02 0.12 0.00 -1.47 0.00 0.00 33.84 33.98 2qqr n VAL 947 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2qqr n SER 948 N 0.79 0.63 -3.60 -1.34 3.41 -1.21 -4.93 113.62 107.38 2qqr n SER 948 Ca 0.10 -0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.28 2qqr n SER 948 Cb 0.39 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.83 2qqr n SER 948 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qqr s GLN 949 N -3.06 1.48 -0.91 4.33 -2.07 -1.26 -4.98 119.66 113.18 2qqr s GLN 949 Ca 0.08 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.81 2qqr s GLN 949 Cb 0.16 0.59 0.24 0.00 -1.09 0.00 0.00 33.01 32.91 2qqr s GLN 949 CO 0.76 -0.66 0.87 0.34 -1.32 0.00 0.00 175.29 175.28 2qqr s ASP 950 N -2.82 6.93 0.31 12.60 -1.08 -1.26 -4.83 116.67 126.52 2qqr s ASP 950 Ca 0.05 -2.97 0.16 0.00 -0.52 0.00 0.00 52.55 49.27 2qqr s ASP 950 Cb -0.03 -2.21 0.35 0.00 -1.46 0.00 0.00 42.92 39.57 2qqr s ASP 950 CO -0.05 -0.48 1.57 0.00 0.52 0.00 0.00 175.17 176.73 2qqr h LEU 952 N 0.00 0.66 0.17 0.00 3.38 -1.83 -0.26 115.31 117.44 2qqr h LEU 952 Ca -0.00 -0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 2qqr h LEU 952 Cb 1.18 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2qqr h LEU 952 CO 0.06 0.54 -1.66 -0.61 0.09 0.00 0.00 178.44 176.86 2qqr h GLN 953 N 0.75 0.37 -0.06 1.13 4.15 -1.93 -3.41 115.11 116.11 2qqr h GLN 953 Ca 0.19 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2qqr h GLN 953 Cb 0.03 0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2qqr h GLN 953 CO -0.03 1.30 0.00 1.19 -1.93 0.00 0.00 178.83 179.36 2qqr n PHE 954 N -3.68 0.08 -0.50 3.99 3.01 -0.40 -5.12 117.46 114.85 2qqr n PHE 954 Ca -0.25 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.06 2qqr n PHE 954 Cb 1.04 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 2qqr n PHE 954 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qqr n GLY 955 N 0.24 -2.89 3.74 1.37 0.00 -0.11 -4.98 105.19 102.57 2qqr n GLY 955 Ca 0.04 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 2qqr n GLY 955 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qqr s PRO 956 N -0.79 2.10 1.14 1.61 0.04 -1.26 -4.30 135.00 133.53 2qqr s PRO 956 Ca 0.00 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2qqr s PRO 956 Cb 0.00 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 32.94 2qqr s PRO 956 CO 0.00 -1.80 1.04 -2.14 0.04 0.00 0.00 177.00 174.14 2qqr s PRO 957 N -4.49 -0.71 0.57 0.56 0.02 -1.26 -5.00 135.00 124.69 2qqr s PRO 957 Ca 0.66 0.66 -0.18 0.00 0.02 0.00 0.00 61.00 62.16 2qqr s PRO 957 Cb -0.21 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 2qqr s PRO 957 CO 0.51 -3.54 1.09 0.00 -0.33 0.00 0.00 177.00 174.73 2qqr s ALA 958 N -2.62 2.70 0.15 -1.55 0.00 -1.26 -4.95 121.76 114.22 2qqr s ALA 958 Ca 0.68 0.62 -0.33 0.00 0.00 0.00 0.00 51.96 52.93 2qqr s ALA 958 Cb -0.22 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 2qqr s ALA 958 CO 0.62 -0.78 1.65 -1.91 0.00 0.00 0.00 175.76 175.34 2qqr n GLU 959 N -1.62 2.33 -0.39 0.00 2.13 -1.26 -1.43 120.64 120.40 2qqr n GLU 959 Ca 0.10 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2qqr n GLU 959 Cb 0.52 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2qqr n GLU 959 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qqr n GLY 960 N 3.66 2.15 3.76 8.31 0.00 0.83 -4.99 105.19 118.90 2qqr n GLY 960 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qqr n GLY 960 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqr s GLU 961 N -0.02 4.13 0.21 1.61 2.12 -0.51 -4.45 118.70 121.79 2qqr s GLU 961 Ca 0.00 2.55 -0.31 0.00 0.36 0.00 0.00 54.97 57.57 2qqr s GLU 961 Cb 0.00 -3.02 -0.10 0.00 0.26 0.00 0.00 34.13 31.27 2qqr s GLU 961 CO 0.00 -0.59 1.49 0.08 -0.54 0.00 0.00 175.26 175.70 2qqr s VAL 962 N -0.22 2.66 0.12 3.70 1.01 -1.26 -0.89 120.40 125.53 2qqr s VAL 962 Ca 0.61 0.52 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2qqr s VAL 962 Cb -0.47 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2qqr s VAL 962 CO 0.50 0.07 -0.01 0.68 0.00 0.00 0.00 175.10 176.33 2qqr s VAL 963 N 0.47 0.51 -0.04 2.92 -7.23 -0.04 -4.92 120.40 112.07 2qqr s VAL 963 Ca 0.64 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2qqr s VAL 963 Cb -0.42 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2qqr s VAL 963 CO 0.38 -0.68 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.31 2qqr s GLN 964 N -3.91 2.63 -0.05 4.82 1.11 -1.26 -0.61 119.66 122.38 2qqr s GLN 964 Ca 0.18 -0.64 0.05 0.00 0.01 0.00 0.00 55.36 54.96 2qqr s GLN 964 Cb 0.06 -2.51 -0.01 0.00 -1.01 0.00 0.00 33.01 29.54 2qqr s GLN 964 CO -0.01 0.64 -0.20 0.08 0.01 0.00 0.00 175.29 175.80 2qqr s VAL 965 N -0.85 1.66 -0.35 1.09 1.01 0.57 -0.57 120.40 122.96 2qqr s VAL 965 Ca 0.14 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 2qqr s VAL 965 Cb -0.11 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2qqr s VAL 965 CO 0.03 0.47 0.74 -0.60 0.00 0.00 0.00 175.10 175.74 2qqr s ARG 966 N -0.08 3.77 0.75 2.72 3.52 -0.01 -0.66 118.95 128.96 2qqr s ARG 966 Ca -0.03 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 2qqr s ARG 966 Cb -0.12 -3.79 0.14 0.00 -1.56 0.00 0.00 34.95 29.62 2qqr s ARG 966 CO 0.02 -0.78 1.03 -0.46 -0.81 0.00 0.00 175.30 174.30 2qqr s TRP 967 N 2.95 1.50 -0.89 5.12 -0.00 0.27 -4.87 118.94 123.03 2qqr s TRP 967 Ca 0.29 -0.25 0.23 0.00 -0.00 0.00 0.00 56.10 56.37 2qqr s TRP 967 Cb -0.14 -3.09 0.93 0.00 -0.00 0.00 0.00 33.47 31.17 2qqr s TRP 967 CO 0.15 -1.83 1.72 0.25 -0.00 0.00 0.00 176.95 177.24 2qqr n THR 968 N -2.93 0.55 1.59 5.86 -2.24 -1.26 -0.70 114.28 115.15 2qqr n THR 968 Ca 0.15 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.11 2qqr n THR 968 Cb 0.61 -0.78 0.47 0.00 -2.10 0.00 0.00 70.33 68.53 2qqr n THR 968 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qqr n ASP 969 N -1.72 0.89 0.00 3.42 5.75 -1.26 -4.92 116.55 118.72 2qqr n ASP 969 Ca 0.05 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 2qqr n ASP 969 Cb 0.28 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2qqr n ASP 969 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqr n GLY 970 N 0.98 0.63 3.93 6.12 0.00 0.12 -5.02 105.19 111.95 2qqr n GLY 970 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2qqr n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qqr s GLN 971 N -0.33 3.52 -0.15 1.61 -1.52 -1.26 -4.80 119.66 116.74 2qqr s GLN 971 Ca 0.00 -0.30 -0.09 0.00 -1.95 0.00 0.00 55.36 53.02 2qqr s GLN 971 Cb 0.00 -2.73 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 2qqr s GLN 971 CO 0.00 0.27 0.16 0.08 -0.25 0.00 0.00 175.29 175.55 2qqr s VAL 972 N -2.10 5.43 0.06 1.09 1.01 -1.26 -0.56 120.40 124.07 2qqr s VAL 972 Ca 0.40 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.70 2qqr s VAL 972 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2qqr s VAL 972 CO 0.32 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.48 2qqr s TYR 973 N -0.36 1.32 0.27 5.22 1.51 0.17 -4.95 117.35 120.53 2qqr s TYR 973 Ca 0.13 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 2qqr s TYR 973 Cb -0.12 -0.75 -0.09 0.00 -0.11 0.00 0.00 41.96 40.88 2qqr s TYR 973 CO 0.02 0.07 0.96 0.20 -1.11 0.00 0.00 175.55 175.69 2qqr s GLY 974 N -1.53 3.04 0.36 0.71 0.00 -1.26 -0.31 107.32 108.33 2qqr s GLY 974 Ca 0.01 0.63 -0.07 0.00 0.00 0.00 0.00 44.72 45.28 2qqr s GLY 974 CO 0.02 1.17 0.60 0.00 0.00 0.00 0.00 173.10 174.89 2qqr s ALA 975 N -1.28 0.22 -0.07 3.20 0.00 0.22 -1.80 121.76 122.25 2qqr s ALA 975 Ca 0.44 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2qqr s ALA 975 Cb -0.25 0.97 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2qqr s ALA 975 CO 0.31 -0.87 -0.14 0.15 0.00 0.00 0.00 175.76 175.21 2qqr s LYS 976 N -2.74 1.87 0.18 0.00 1.02 0.78 -0.86 119.74 119.99 2qqr s LYS 976 Ca 0.25 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 2qqr s LYS 976 Cb -0.02 -1.52 -0.08 0.00 -0.52 0.00 0.00 37.83 35.68 2qqr s LYS 976 CO 0.17 0.07 1.26 0.12 -0.92 0.00 0.00 175.35 176.05 2qqr s PHE 977 N 0.55 3.33 -0.12 3.18 5.36 -0.07 -1.14 117.98 129.08 2qqr s PHE 977 Ca -0.14 1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 57.01 2qqr s PHE 977 Cb -0.16 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 2qqr s PHE 977 CO 0.04 -1.59 -0.25 0.28 -1.46 0.00 0.00 175.22 172.24 2qqr n VAL 978 N 2.70 1.37 -3.53 3.12 0.31 0.14 -0.12 118.33 122.32 2qqr n VAL 978 Ca 0.06 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 2qqr n VAL 978 Cb 0.44 -2.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 2qqr n VAL 978 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qqr s ALA 979 N -2.60 -1.81 0.02 3.52 0.00 -1.09 -4.65 121.76 115.15 2qqr s ALA 979 Ca -0.22 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.75 2qqr s ALA 979 Cb 0.04 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2qqr s ALA 979 CO 0.32 -0.72 -0.22 0.45 0.00 0.00 0.00 175.76 175.58 2qqr s SER 980 N -2.53 3.47 -0.13 0.00 0.15 -1.26 -0.48 113.70 112.92 2qqr s SER 980 Ca 0.06 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 2qqr s SER 980 Cb -0.01 -0.47 0.07 0.00 -1.71 0.00 0.00 66.02 63.89 2qqr s SER 980 CO -0.08 0.28 0.25 -1.38 1.20 0.00 0.00 173.24 173.51 2qqr s HIS 981 N -0.81 -0.40 0.33 3.44 -3.43 -0.33 -4.99 115.29 109.11 2qqr s HIS 981 Ca 0.12 0.87 -0.28 0.00 -0.80 0.00 0.00 55.06 54.97 2qqr s HIS 981 Cb -0.10 -0.09 -0.09 0.00 -1.43 0.00 0.00 32.58 30.87 2qqr s HIS 981 CO 0.03 -0.38 1.16 -1.25 -2.00 0.00 0.00 174.74 172.30 2qqr s PRO 982 N 2.40 4.38 -0.07 -0.38 0.04 -1.26 -1.44 135.00 138.66 2qqr s PRO 982 Ca 0.02 1.89 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2qqr s PRO 982 Cb -0.12 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2qqr s PRO 982 CO -0.09 -0.05 -0.18 0.42 0.04 0.00 0.00 177.00 177.14 2qqr s ILE 983 N -1.26 1.53 0.73 0.56 1.01 0.49 -4.95 121.20 119.30 2qqr s ILE 983 Ca 0.50 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2qqr s ILE 983 Cb -0.33 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 40.83 2qqr s ILE 983 CO 0.42 0.44 1.08 -1.58 0.00 0.00 0.00 174.94 175.30 2qqr s GLN 984 N 0.37 2.63 -0.30 2.79 2.00 -1.26 -1.59 119.66 124.29 2qqr s GLN 984 Ca -0.13 1.07 -0.04 0.00 -2.00 0.00 0.00 55.36 54.26 2qqr s GLN 984 Cb -0.15 -1.95 0.17 0.00 0.80 0.00 0.00 33.01 31.88 2qqr s GLN 984 CO 0.05 -1.35 0.65 0.71 -0.50 0.00 0.00 175.29 174.85 2qqr s TYR 986 N -2.96 -1.46 -0.28 1.67 1.51 -0.01 -4.52 117.35 111.30 2qqr s TYR 986 Ca 0.60 1.79 -0.24 0.00 -1.01 0.00 0.00 57.07 58.21 2qqr s TYR 986 Cb -0.16 0.60 -0.00 0.00 -0.11 0.00 0.00 41.96 42.29 2qqr s TYR 986 CO 0.55 -0.78 0.80 -1.14 -1.11 0.00 0.00 175.55 173.87 2qqr s GLN 987 N 2.86 4.04 0.13 -0.62 0.74 -0.24 -0.54 119.66 126.03 2qqr s GLN 987 Ca 0.12 0.70 0.09 0.00 0.05 0.00 0.00 55.36 56.33 2qqr s GLN 987 Cb -0.14 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2qqr s GLN 987 CO -0.20 -0.62 -0.19 0.14 -0.55 0.00 0.00 175.29 173.87 2qqr s VAL 988 N 2.92 2.73 -0.09 1.34 -7.23 0.14 0.14 120.40 120.35 2qqr s VAL 988 Ca 0.33 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2qqr s VAL 988 Cb -0.14 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.55 2qqr s VAL 988 CO 0.11 0.07 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.09 2qqr s GLU 989 N -2.21 2.36 0.58 4.82 2.12 -0.04 -1.86 118.70 124.47 2qqr s GLU 989 Ca 0.18 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 2qqr s GLU 989 Cb -0.10 -1.86 0.03 0.00 0.26 0.00 0.00 34.13 32.47 2qqr s GLU 989 CO 0.10 0.09 0.83 -0.06 -0.54 0.00 0.00 175.26 175.67 2qqr s PHE 990 N 0.55 2.96 0.43 5.30 0.40 -0.06 -1.24 117.98 126.32 2qqr s PHE 990 Ca -0.16 0.20 0.14 0.00 -0.60 0.00 0.00 56.93 56.51 2qqr s PHE 990 Cb -0.17 -2.80 1.03 0.00 0.51 0.00 0.00 43.02 41.59 2qqr s PHE 990 CO 0.05 -0.93 1.94 1.49 0.70 0.00 0.00 175.22 178.48 2qqr h GLU 991 N -0.07 0.42 0.00 0.44 4.81 -1.89 0.54 114.58 118.82 2qqr h GLU 991 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qqr h GLU 991 Cb 1.29 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2qqr h GLU 991 CO 0.56 0.28 0.00 -0.40 -0.73 0.00 0.00 179.01 178.71 2qqr n ASP 992 N -4.48 0.00 0.00 1.04 5.75 -1.26 -4.90 116.55 112.70 2qqr n ASP 992 Ca 0.12 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2qqr n ASP 992 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2qqr n ASP 992 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqr n GLY 993 N 0.80 2.24 3.75 6.12 0.00 0.18 -5.04 105.19 113.24 2qqr n GLY 993 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2qqr n GLY 993 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qqr s SER 994 N -3.24 4.92 0.09 1.61 1.04 -1.26 -4.73 113.70 112.14 2qqr s SER 994 Ca 0.00 2.27 0.05 0.00 0.48 0.00 0.00 55.95 58.75 2qqr s SER 994 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2qqr s SER 994 CO 0.00 -1.77 -0.13 -1.10 0.98 0.00 0.00 173.24 171.22 2qqr s GLN 995 N -3.67 0.89 0.04 4.02 -0.21 -1.26 -0.88 119.66 118.58 2qqr s GLN 995 Ca 0.74 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.01 2qqr s GLN 995 Cb -0.27 -0.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.94 2qqr s GLN 995 CO 0.38 0.16 0.02 -0.51 -2.12 0.00 0.00 175.29 173.21 2qqr s LEU 996 N -2.12 2.16 -0.26 2.90 1.43 -0.78 -4.99 118.68 117.02 2qqr s LEU 996 Ca 0.03 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 2qqr s LEU 996 Cb -0.07 0.32 -0.00 0.00 0.03 0.00 0.00 46.19 46.47 2qqr s LEU 996 CO 0.02 -0.47 0.03 -0.69 0.23 0.00 0.00 176.35 175.47 2qqr s VAL 997 N -2.66 3.79 0.19 -1.59 1.01 -1.26 -0.69 120.40 119.20 2qqr s VAL 997 Ca -0.05 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2qqr s VAL 997 Cb -0.01 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2qqr s VAL 997 CO -0.05 0.25 -0.15 0.68 0.00 0.00 0.00 175.10 175.84 2qqr s VAL 998 N 1.51 1.70 0.53 2.92 -7.23 0.30 -4.90 120.40 115.24 2qqr s VAL 998 Ca 0.04 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 2qqr s VAL 998 Cb -0.16 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2qqr s VAL 998 CO 0.01 -0.56 0.87 -0.54 -0.31 0.00 0.00 175.10 174.57 2qqr s LYS 999 N -3.49 3.51 0.26 4.82 1.02 -1.26 -0.83 119.74 123.76 2qqr s LYS 999 Ca 0.21 0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 2qqr s LYS 999 Cb -0.01 -2.27 0.52 0.00 -0.52 0.00 0.00 37.83 35.54 2qqr s LYS 999 CO 0.06 -0.36 1.71 -0.09 -0.92 0.00 0.00 175.35 175.76 2qqr h ARG 1000N 0.02 0.39 0.00 1.68 9.65 -1.94 -0.90 114.38 123.28 2qqr h ARG 1000Ca -0.46 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2qqr h ARG 1000Cb 1.20 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2qqr h ARG 1000CO 0.62 0.26 0.00 -0.44 2.80 0.00 0.00 179.97 183.20 2qqr h ASP 1001N 0.40 0.00 -0.60 -3.80 3.32 -1.94 -1.69 116.42 112.11 2qqr h ASP 1001Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2qqr h ASP 1001Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2qqr h ASP 1001CO -0.45 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.54 2qqr n ASP 1002N -2.50 3.38 -4.45 6.45 8.00 -0.34 -4.68 116.55 122.40 2qqr n ASP 1002Ca -0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 2qqr n ASP 1002Cb 0.15 -0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 2qqr n ASP 1002CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qqr s VAL 1003N -1.20 3.20 0.03 2.53 1.01 -0.64 -4.36 120.40 120.97 2qqr s VAL 1003Ca 0.42 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.83 2qqr s VAL 1003Cb 0.22 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2qqr s VAL 1003CO 0.29 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.45 2qqr s TYR 1004N -0.22 1.71 0.64 5.22 1.51 -0.23 -4.68 117.35 121.29 2qqr s TYR 1004Ca 0.01 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 2qqr s TYR 1004Cb -0.13 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2qqr s TYR 1004CO 0.03 0.06 1.04 0.95 -1.11 0.00 0.00 175.55 176.52 2qqr s THR 1005N -0.74 4.52 0.49 -0.71 -4.23 -1.26 -0.19 115.64 113.52 2qqr s THR 1005Ca 0.07 0.82 0.30 0.00 -1.18 0.00 0.00 61.69 61.69 2qqr s THR 1005Cb -0.08 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.33 2qqr s THR 1005CO 0.01 -1.07 2.16 -0.07 -0.54 0.00 0.00 174.62 175.12 2qqr h LEU 1006N -0.42 0.00 -0.17 4.79 4.07 -1.91 -2.52 115.31 119.15 2qqr h LEU 1006Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2qqr h LEU 1006Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2qqr h LEU 1006CO 0.61 0.06 -0.24 -0.90 -1.08 0.00 0.00 178.44 176.89 2qqr n ASP 1007N -3.65 0.51 -4.90 -0.43 5.75 -1.26 -4.92 116.55 107.65 2qqr n ASP 1007Ca -0.02 -0.36 -0.30 0.00 -0.01 0.00 0.00 54.79 54.10 2qqr n ASP 1007Cb 0.17 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 2qqr n ASP 1007CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2qqr s GLU 1008N -2.73 3.36 0.52 0.11 -1.05 -0.95 -5.08 118.70 112.89 2qqr s GLU 1008Ca 0.20 -0.49 -0.23 0.00 -0.15 0.00 0.00 54.97 54.30 2qqr s GLU 1008Cb 0.19 -2.99 -0.06 0.00 -0.44 0.00 0.00 34.13 30.83 2qqr s GLU 1008CO 0.56 0.59 1.38 -2.00 0.95 0.00 0.00 175.26 176.74 2qqr s GLU 1009N -2.57 3.31 0.04 -4.83 2.56 -1.26 -4.89 118.70 111.06 2qqr s GLU 1009Ca 0.34 2.28 0.03 0.00 0.00 0.00 0.00 54.97 57.62 2qqr s GLU 1009Cb -0.13 -2.38 -0.04 0.00 2.00 0.00 0.00 34.13 33.59 2qqr s GLU 1009CO 0.27 -1.07 0.00 -0.51 -0.56 0.00 0.00 175.26 173.40 2qqr s LEU 1010N -3.27 3.51 0.00 2.70 1.43 -1.26 -5.04 118.68 116.75 2qqr s LEU 1010Ca 0.68 -0.07 0.29 0.00 -1.03 0.00 0.00 54.13 54.00 2qqr s LEU 1010Cb -0.41 -2.11 1.29 0.00 0.03 0.00 0.00 46.19 44.98 2qqr s LEU 1010CO 0.50 0.23 1.88 -0.81 0.23 0.00 0.00 176.35 178.38