#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 0.46 0.00 0.00 57.72 58.18 2qqr n HIS 895 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2qqr n HIS 895 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2qqr n GLN 897 N 0.00 0.00 -3.07 1.57 1.13 -1.26 -5.19 117.38 110.55 2qqr n GLN 897 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 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 6.79 -0.11 1.08 0.01 -1.26 -5.07 113.70 115.14 2qqr s SER 898 Ca 0.00 1.35 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 2qqr s SER 898 Cb 0.00 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2qqr s SER 898 CO 0.00 -0.24 -0.06 -0.63 0.41 0.00 0.00 173.24 172.72 2qqr s ILE 899 N -2.03 3.74 0.21 1.44 -1.09 -1.26 -5.11 121.20 117.10 2qqr s ILE 899 Ca 0.55 -0.44 0.10 0.00 -2.23 0.00 0.00 60.65 58.64 2qqr s ILE 899 Cb -0.10 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 2qqr s ILE 899 CO 0.17 0.54 -0.19 0.42 -1.23 0.00 0.00 174.94 174.65 2qqr s THR 900 N -0.16 2.14 0.44 2.92 -4.23 -1.26 -5.07 115.64 110.42 2qqr s THR 900 Ca 0.02 -2.15 -0.25 0.00 -1.18 0.00 0.00 61.69 58.13 2qqr s THR 900 Cb -0.13 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 2qqr s THR 900 CO 0.03 -0.34 1.36 0.00 -0.54 0.00 0.00 174.62 175.12 2qqr n ALA 901 N -0.12 1.70 0.00 3.99 0.00 -1.26 -2.23 120.51 122.59 2qqr n ALA 901 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2qqr n ALA 901 Cb 0.58 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2qqr n ALA 901 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qqr n GLY 902 N 0.69 1.71 3.73 0.00 0.00 0.11 -5.00 105.19 106.42 2qqr n GLY 902 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.54 4.66 0.09 1.61 0.74 -0.95 -4.75 119.66 120.53 2qqr s GLN 903 Ca 0.00 1.52 -0.30 0.00 0.05 0.00 0.00 55.36 56.63 2qqr s GLN 903 Cb 0.00 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.69 2qqr s GLN 903 CO 0.00 0.16 1.18 0.15 -0.55 0.00 0.00 175.29 176.23 2qqr s LYS 904 N -0.03 4.47 0.25 1.67 -0.14 -1.26 -1.19 119.74 123.51 2qqr s LYS 904 Ca 0.48 1.77 0.05 0.00 -1.36 0.00 0.00 55.97 56.91 2qqr s LYS 904 Cb -0.25 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.56 2qqr s LYS 904 CO 0.31 -0.18 0.19 1.33 -0.76 0.00 0.00 175.35 176.24 2qqr n VAL 905 N 3.50 0.00 -5.11 3.17 0.24 0.37 -4.50 118.33 116.01 2qqr n VAL 905 Ca 0.07 -1.79 -0.30 0.00 -2.04 0.00 0.00 64.34 60.29 2qqr n VAL 905 Cb 0.46 0.86 -0.17 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.96 1.86 0.19 1.34 1.01 0.92 -0.84 121.20 122.72 2qqr s ILE 906 Ca 0.28 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 2qqr s ILE 906 Cb 0.01 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.92 2qqr s ILE 906 CO 0.19 0.52 0.49 -0.55 0.00 0.00 0.00 174.94 175.60 2qqr s SER 907 N 0.11 -0.23 -0.06 3.58 0.15 -0.65 -1.07 113.70 115.53 2qqr s SER 907 Ca -0.10 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.76 2qqr s SER 907 Cb -0.15 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2qqr s SER 907 CO 0.05 -1.02 1.23 -0.54 1.20 0.00 0.00 173.24 174.16 2qqr s LYS 908 N -3.88 4.33 0.87 5.44 1.02 -1.26 -1.82 119.74 124.44 2qqr s LYS 908 Ca 0.09 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 2qqr s LYS 908 Cb -0.00 -3.58 0.12 0.00 -0.52 0.00 0.00 37.83 33.84 2qqr s LYS 908 CO -0.03 -0.49 1.11 -1.58 -0.92 0.00 0.00 175.35 173.44 2qqr s HIS 909 N 2.36 2.07 0.60 3.18 5.65 -0.24 -4.89 115.29 124.02 2qqr s HIS 909 Ca 0.57 1.60 0.29 0.00 0.25 0.00 0.00 55.06 57.77 2qqr s HIS 909 Cb -0.25 -3.19 1.62 0.00 -1.18 0.00 0.00 32.58 29.58 2qqr s HIS 909 CO 0.22 -2.42 2.03 1.57 -0.65 0.00 0.00 174.74 175.49 2qqr h LYS 910 N -1.58 0.00 0.00 2.88 2.10 -1.95 0.10 116.57 118.12 2qqr h LYS 910 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2qqr h LYS 910 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2qqr h LYS 910 CO 0.47 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.19 2qqr n ASN 911 N -3.69 0.00 0.00 7.07 0.23 -1.26 -4.90 115.26 112.71 2qqr n ASN 911 Ca 0.03 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2qqr n ASN 911 Cb 0.43 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.38 0.73 3.77 4.83 0.00 0.02 -5.06 105.19 109.87 2qqr n GLY 912 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.56 2.79 0.12 1.61 0.52 -1.26 -4.87 118.95 117.31 2qqr s ARG 913 Ca 0.00 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 2qqr s ARG 913 Cb 0.00 -2.56 -0.06 0.00 0.52 0.00 0.00 34.95 32.85 2qqr s ARG 913 CO 0.00 0.46 1.02 -0.06 0.02 0.00 0.00 175.30 176.74 2qqr s PHE 914 N -1.84 3.71 0.10 -0.53 0.40 -1.26 -1.07 117.98 117.48 2qqr s PHE 914 Ca 0.31 1.69 0.01 0.00 -0.60 0.00 0.00 56.93 58.34 2qqr s PHE 914 Cb -0.09 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 2qqr s PHE 914 CO 0.23 -0.18 -0.03 0.71 0.70 0.00 0.00 175.22 176.65 2qqr s TYR 915 N 0.05 0.84 0.42 0.36 1.51 -0.76 -4.94 117.35 114.83 2qqr s TYR 915 Ca 0.49 -1.00 -0.25 0.00 -1.01 0.00 0.00 57.07 55.30 2qqr s TYR 915 Cb -0.26 -0.51 -0.08 0.00 -0.11 0.00 0.00 41.96 41.01 2qqr s TYR 915 CO 0.31 -0.26 1.22 -1.14 -1.11 0.00 0.00 175.55 174.57 2qqr s GLN 916 N -3.89 3.95 0.25 -0.62 0.74 -1.26 -1.64 119.66 117.19 2qqr s GLN 916 Ca 0.14 1.94 -0.07 0.00 0.05 0.00 0.00 55.36 57.41 2qqr s GLN 916 Cb 0.06 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.52 2qqr s GLN 916 CO -0.04 -0.44 0.38 0.00 -0.55 0.00 0.00 175.29 174.64 2qqr s GLU 918 N -3.86 2.70 -0.22 0.00 2.12 -0.38 -0.48 118.70 118.59 2qqr s GLU 918 Ca 0.29 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 2qqr s GLU 918 Cb 0.02 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 2qqr s GLU 918 CO 0.12 0.41 1.39 0.08 -0.54 0.00 0.00 175.26 176.72 2qqr s VAL 919 N -0.21 4.04 -0.12 3.70 1.01 -0.33 -0.75 120.40 127.74 2qqr s VAL 919 Ca -0.01 1.21 0.17 0.00 0.00 0.00 0.00 61.98 63.34 2qqr s VAL 919 Cb -0.13 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 2qqr s VAL 919 CO 0.03 -0.30 0.58 1.33 0.00 0.00 0.00 175.10 176.73 2qqr n VAL 920 N 5.95 1.18 -3.59 2.92 0.24 0.12 0.07 118.33 125.22 2qqr n VAL 920 Ca 0.16 -0.73 -0.16 0.00 -2.04 0.00 0.00 64.34 61.57 2qqr n VAL 920 Cb 0.45 -0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 32.12 2qqr n VAL 920 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qqr s ARG 921 N -2.83 0.92 -0.17 7.34 3.52 -1.16 -4.68 118.95 121.89 2qqr s ARG 921 Ca -0.05 0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 55.92 2qqr s ARG 921 Cb 0.08 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.87 2qqr s ARG 921 CO 0.83 -0.22 0.39 -0.51 -0.81 0.00 0.00 175.30 174.98 2qqr s LEU 922 N -0.52 4.21 0.32 -0.88 1.43 -1.26 -1.05 118.68 120.93 2qqr s LEU 922 Ca -0.06 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2qqr s LEU 922 Cb -0.02 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 2qqr s LEU 922 CO 0.06 -0.01 -0.02 0.42 0.23 0.00 0.00 176.35 177.03 2qqr s THR 923 N 0.89 2.70 -0.15 5.49 -4.23 -1.26 -4.98 115.64 114.10 2qqr s THR 923 Ca 0.20 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2qqr s THR 923 Cb -0.14 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2qqr s THR 923 CO 0.07 -0.25 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.83 2qqr s THR 924 N -2.50 1.87 -0.11 3.99 2.01 -1.26 -4.46 115.64 115.18 2qqr s THR 924 Ca 0.34 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 2qqr s THR 924 Cb -0.01 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2qqr s THR 924 CO 0.19 0.51 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.97 2qqr s GLU 925 N 1.14 3.24 -0.24 4.92 2.02 -0.53 -4.93 118.70 124.32 2qqr s GLU 925 Ca -0.00 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.37 2qqr s GLU 925 Cb -0.14 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2qqr s GLU 925 CO -0.07 0.45 0.10 0.99 0.02 0.00 0.00 175.26 176.75 2qqr s THR 926 N -0.20 4.74 -0.02 3.63 2.01 -1.26 -0.09 115.64 124.44 2qqr s THR 926 Ca 0.03 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2qqr s THR 926 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2qqr s THR 926 CO 0.02 0.34 0.01 -0.36 -0.69 0.00 0.00 174.62 173.94 2qqr s PHE 927 N 1.34 3.10 -0.03 4.92 0.40 -0.56 -4.30 117.98 122.86 2qqr s PHE 927 Ca 0.06 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2qqr s PHE 927 Cb -0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2qqr s PHE 927 CO 0.05 0.47 0.05 0.71 0.70 0.00 0.00 175.22 177.20 2qqr s TYR 928 N -1.05 3.23 -0.11 0.36 4.12 0.50 -1.02 117.35 123.38 2qqr s TYR 928 Ca 0.19 0.19 0.00 0.00 0.02 0.00 0.00 57.07 57.47 2qqr s TYR 928 Cb -0.11 -1.74 -0.02 0.00 -1.52 0.00 0.00 41.96 38.56 2qqr s TYR 928 CO 0.09 0.53 -0.11 -1.21 0.02 0.00 0.00 175.55 174.86 2qqr s GLU 929 N -1.48 3.17 0.03 -0.62 2.02 0.60 -2.24 118.70 120.17 2qqr s GLU 929 Ca 0.20 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.54 2qqr s GLU 929 Cb -0.12 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2qqr s GLU 929 CO 0.10 0.36 -0.03 0.14 0.02 0.00 0.00 175.26 175.85 2qqr s VAL 930 N -0.01 0.14 -0.30 2.63 -7.23 -0.40 -0.69 120.40 114.54 2qqr s VAL 930 Ca -0.03 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 2qqr s VAL 930 Cb -0.14 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2qqr s VAL 930 CO 0.04 -0.62 0.20 0.20 -0.31 0.00 0.00 175.10 174.60 2qqr s ASN 931 N -1.81 5.96 0.85 4.85 0.01 -0.20 -1.20 114.94 123.39 2qqr s ASN 931 Ca -0.10 -0.17 -0.11 0.00 -0.71 0.00 0.00 52.86 51.77 2qqr s ASN 931 Cb -0.06 -2.11 0.10 0.00 0.41 0.00 0.00 41.25 39.60 2qqr s ASN 931 CO -0.03 -0.11 1.10 -0.36 -1.51 0.00 0.00 177.10 176.18 2qqr s PHE 932 N 1.73 2.32 0.58 2.20 0.40 0.53 -0.22 117.98 125.52 2qqr s PHE 932 Ca 0.07 1.48 0.31 0.00 -0.60 0.00 0.00 56.93 58.19 2qqr s PHE 932 Cb -0.16 -3.13 1.86 0.00 0.51 0.00 0.00 43.02 42.11 2qqr s PHE 932 CO 0.10 -2.20 2.25 -0.44 0.70 0.00 0.00 175.22 175.64 2qqr h ASP 933 N -1.42 0.00 0.02 1.36 3.32 -1.64 0.19 116.42 118.26 2qqr h ASP 933 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2qqr h ASP 933 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2qqr h ASP 933 CO 0.51 0.01 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.13 2qqr n ASP 934 N -3.73 0.62 0.00 6.45 5.68 -1.26 -4.91 116.55 119.40 2qqr n ASP 934 Ca -0.03 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 2qqr n ASP 934 Cb 0.10 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 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 1.09 0.79 3.78 6.12 0.00 0.68 -5.06 105.19 112.58 2qqr n GLY 935 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.98 4.81 -0.03 1.61 1.04 -1.26 -4.76 113.70 112.13 2qqr s SER 936 Ca 0.00 1.85 0.06 0.00 0.48 0.00 0.00 55.95 58.34 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 -1.83 -0.21 0.12 0.98 0.00 0.00 173.24 172.30 2qqr s PHE 937 N -2.75 1.99 -0.06 5.02 5.36 -1.26 -0.35 117.98 125.94 2qqr s PHE 937 Ca 0.62 -0.48 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 2qqr s PHE 937 Cb -0.18 -1.30 -0.01 0.00 -0.34 0.00 0.00 43.02 41.19 2qqr s PHE 937 CO 0.51 -0.11 -0.25 0.45 -1.46 0.00 0.00 175.22 174.36 2qqr s SER 938 N -0.28 3.08 0.00 6.13 0.15 -0.34 -4.99 113.70 117.45 2qqr s SER 938 Ca 0.02 -0.51 0.10 0.00 0.70 0.00 0.00 55.95 56.27 2qqr s SER 938 Cb -0.10 -0.84 0.19 0.00 -1.71 0.00 0.00 66.02 63.55 2qqr s SER 938 CO 0.01 0.25 1.04 -0.90 1.20 0.00 0.00 173.24 174.84 2qqr n ASP 939 N 2.94 2.39 -2.42 5.45 5.75 -1.26 -1.28 116.55 128.12 2qqr n ASP 939 Ca -0.17 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2qqr n ASP 939 Cb 0.52 -0.11 0.05 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 0.51 0.90 -4.80 -1.12 6.94 -1.20 -4.56 115.26 111.93 2qqr n ASN 940 Ca 0.09 -2.04 -0.33 0.00 -0.02 0.00 0.00 54.58 52.27 2qqr n ASN 940 Cb 0.34 -0.24 -0.00 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.79 3.61 0.22 -4.53 1.43 -0.95 -4.84 118.68 110.82 2qqr s LEU 941 Ca 0.25 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 2qqr s LEU 941 Cb 0.34 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 2qqr s LEU 941 CO -0.08 -1.06 0.39 -0.31 0.23 0.00 0.00 176.35 175.52 2qqr s TYR 942 N -2.29 3.48 0.39 0.29 4.12 -1.26 -0.37 117.35 121.71 2qqr s TYR 942 Ca 0.65 0.24 0.14 0.00 0.02 0.00 0.00 57.07 58.12 2qqr s TYR 942 Cb -0.16 -1.78 0.97 0.00 -1.52 0.00 0.00 41.96 39.46 2qqr s TYR 942 CO 0.32 0.37 1.86 -1.35 0.02 0.00 0.00 175.55 176.77 2qqr h PRO 943 N 1.70 0.51 0.00 -1.71 0.11 -1.96 0.11 132.00 130.76 2qqr h PRO 943 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qqr h PRO 943 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qqr h PRO 943 CO 0.66 0.34 0.00 1.05 -0.21 0.00 0.00 178.00 179.84 2qqr h GLU 944 N 0.52 0.00 0.00 1.05 9.09 -1.95 -2.37 114.58 120.93 2qqr h GLU 944 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 2qqr h GLU 944 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2qqr h GLU 944 CO -0.19 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.62 2qqr n ASP 945 N -2.56 0.56 -4.64 3.06 8.00 0.03 -4.55 116.55 116.44 2qqr n ASP 945 Ca 0.00 0.58 -0.43 0.00 0.71 0.00 0.00 54.79 55.66 2qqr n ASP 945 Cb 0.19 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 40.54 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 -3.14 4.37 -1.76 0.53 -1.09 -0.89 -0.77 121.20 118.46 2qqr s ILE 946 Ca 0.09 1.59 0.16 0.00 -2.23 0.00 0.00 60.65 60.26 2qqr s ILE 946 Cb 0.12 -4.26 0.22 0.00 -1.58 0.00 0.00 42.46 36.96 2qqr s ILE 946 CO 0.49 -0.40 1.11 1.33 -1.23 0.00 0.00 174.94 176.25 2qqr n VAL 947 N 5.85 0.31 0.96 2.92 0.24 0.26 -4.33 118.33 124.55 2qqr n VAL 947 Ca 0.13 -0.66 0.11 0.00 -2.04 0.00 0.00 64.34 61.89 2qqr n VAL 947 Cb 0.46 1.07 0.13 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.90 0.65 -3.61 -1.34 3.41 -1.20 -4.92 113.62 107.51 2qqr n SER 948 Ca 0.11 -0.45 -0.10 0.00 -0.26 0.00 0.00 58.87 58.18 2qqr n SER 948 Cb 0.43 0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 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 -3.02 1.47 -0.89 4.33 -2.07 -1.26 -4.97 119.66 113.25 2qqr s GLN 949 Ca 0.10 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.83 2qqr s GLN 949 Cb 0.17 0.59 0.23 0.00 -1.09 0.00 0.00 33.01 32.91 2qqr s GLN 949 CO 0.75 -0.66 0.84 0.34 -1.32 0.00 0.00 175.29 175.24 2qqr s ASP 950 N -2.82 6.85 0.32 12.60 -1.08 -1.26 -4.83 116.67 126.46 2qqr s ASP 950 Ca 0.06 -2.92 0.17 0.00 -0.52 0.00 0.00 52.55 49.34 2qqr s ASP 950 Cb -0.03 -2.20 0.30 0.00 -1.46 0.00 0.00 42.92 39.53 2qqr s ASP 950 CO -0.04 -0.50 1.55 0.00 0.52 0.00 0.00 175.17 176.71 2qqr h LEU 952 N 0.00 0.60 0.14 0.00 3.38 -1.83 0.07 115.31 117.66 2qqr h LEU 952 Ca -0.00 -0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.57 2qqr h LEU 952 Cb 1.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qqr h LEU 952 CO 0.06 0.56 -1.65 -0.61 0.09 0.00 0.00 178.44 176.88 2qqr h GLN 953 N 0.66 0.30 -0.02 1.13 4.15 -1.93 -3.41 115.11 115.99 2qqr h GLN 953 Ca 0.16 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2qqr h GLN 953 Cb 0.15 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2qqr h GLN 953 CO -0.01 1.17 0.00 1.19 -1.93 0.00 0.00 178.83 179.25 2qqr n PHE 954 N -3.49 0.02 -0.46 3.99 3.01 -0.52 -5.12 117.46 114.89 2qqr n PHE 954 Ca -0.20 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.16 2qqr n PHE 954 Cb 1.06 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 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 0.04 -3.03 3.75 1.37 0.00 0.01 -4.98 105.19 102.34 2qqr n GLY 955 Ca 0.01 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.76 2.29 1.13 1.61 0.04 -1.26 -4.31 135.00 133.73 2qqr s PRO 956 Ca 0.00 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 2qqr s PRO 956 Cb 0.00 -1.88 0.26 0.00 0.04 0.00 0.00 34.50 32.92 2qqr s PRO 956 CO 0.00 -1.65 1.04 -2.14 0.04 0.00 0.00 177.00 174.29 2qqr s PRO 957 N -4.39 -0.64 0.56 0.56 0.02 -1.26 -4.99 135.00 124.87 2qqr s PRO 957 Ca 0.66 0.77 -0.18 0.00 0.02 0.00 0.00 61.00 62.27 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 0.49 -3.52 1.09 0.00 -0.33 0.00 0.00 177.00 174.73 2qqr s ALA 958 N -2.58 2.71 0.18 -1.55 0.00 -1.26 -4.95 121.76 114.31 2qqr s ALA 958 Ca 0.68 0.62 -0.33 0.00 0.00 0.00 0.00 51.96 52.92 2qqr s ALA 958 Cb -0.24 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 2qqr s ALA 958 CO 0.63 -0.76 1.57 -1.91 0.00 0.00 0.00 175.76 175.29 2qqr n GLU 959 N -1.60 2.20 -0.45 0.00 2.13 -1.26 -1.38 120.64 120.28 2qqr n GLU 959 Ca 0.10 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2qqr n GLU 959 Cb 0.52 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 3.31 1.83 3.75 8.31 0.00 0.78 -4.99 105.19 118.18 2qqr n GLY 960 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 4.16 0.20 1.61 2.12 -0.48 -4.46 118.70 121.81 2qqr s GLU 961 Ca 0.00 2.50 -0.31 0.00 0.36 0.00 0.00 54.97 57.52 2qqr s GLU 961 Cb 0.00 -3.04 -0.10 0.00 0.26 0.00 0.00 34.13 31.25 2qqr s GLU 961 CO 0.00 -0.56 1.54 0.08 -0.54 0.00 0.00 175.26 175.78 2qqr s VAL 962 N -0.15 2.56 0.12 3.70 1.01 -1.26 -1.07 120.40 125.31 2qqr s VAL 962 Ca 0.61 0.43 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2qqr s VAL 962 Cb -0.46 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2qqr s VAL 962 CO 0.48 0.05 -0.04 0.68 0.00 0.00 0.00 175.10 176.27 2qqr s VAL 963 N 0.70 0.66 -0.04 2.92 -7.23 -0.11 -4.92 120.40 112.37 2qqr s VAL 963 Ca 0.66 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2qqr s VAL 963 Cb -0.44 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2qqr s VAL 963 CO 0.36 -0.72 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.27 2qqr s GLN 964 N -3.87 2.70 -0.05 4.82 1.11 -1.26 -0.65 119.66 122.47 2qqr s GLN 964 Ca 0.16 -0.60 0.05 0.00 0.01 0.00 0.00 55.36 54.99 2qqr s GLN 964 Cb 0.06 -2.58 -0.01 0.00 -1.01 0.00 0.00 33.01 29.47 2qqr s GLN 964 CO -0.02 0.65 -0.20 0.08 0.01 0.00 0.00 175.29 175.81 2qqr s VAL 965 N -0.88 1.66 -0.29 1.09 1.01 0.29 -0.57 120.40 122.70 2qqr s VAL 965 Ca 0.14 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 2qqr s VAL 965 Cb -0.11 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2qqr s VAL 965 CO 0.04 0.47 0.55 -0.60 0.00 0.00 0.00 175.10 175.56 2qqr s ARG 966 N -0.07 3.96 0.70 2.72 6.06 0.06 -0.82 118.95 131.55 2qqr s ARG 966 Ca -0.03 0.25 -0.01 0.00 -2.50 0.00 0.00 55.73 53.44 2qqr s ARG 966 Cb -0.12 -3.70 0.11 0.00 0.06 0.00 0.00 34.95 31.30 2qqr s ARG 966 CO 0.02 -0.46 0.96 -0.46 -2.50 0.00 0.00 175.30 172.87 2qqr s TRP 967 N 2.41 1.90 -0.84 5.12 -0.00 0.31 -4.87 118.94 122.98 2qqr s TRP 967 Ca 0.22 -0.17 0.20 0.00 -0.00 0.00 0.00 56.10 56.35 2qqr s TRP 967 Cb -0.15 -2.99 0.81 0.00 -0.00 0.00 0.00 33.47 31.14 2qqr s TRP 967 CO 0.10 -1.56 1.61 0.25 -0.00 0.00 0.00 176.95 177.35 2qqr n THR 968 N -2.78 0.80 1.44 5.86 -2.24 -1.26 -0.40 114.28 115.71 2qqr n THR 968 Ca 0.13 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.19 2qqr n THR 968 Cb 0.60 -0.95 0.41 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.76 1.18 0.00 3.42 5.75 -1.26 -4.92 116.55 118.96 2qqr n ASP 969 Ca 0.04 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 2qqr n ASP 969 Cb 0.23 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.03 0.61 3.94 6.12 0.00 0.47 -5.02 105.19 112.34 2qqr n GLY 970 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.37 3.49 -0.14 1.61 -1.52 -1.26 -4.81 119.66 116.67 2qqr s GLN 971 Ca 0.00 -0.33 -0.06 0.00 -1.95 0.00 0.00 55.36 53.01 2qqr s GLN 971 Cb 0.00 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 2qqr s GLN 971 CO 0.00 0.18 0.09 0.08 -0.25 0.00 0.00 175.29 175.38 2qqr s VAL 972 N -2.27 5.05 0.06 1.09 1.01 -1.26 -0.53 120.40 123.54 2qqr s VAL 972 Ca 0.40 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.47 2qqr s VAL 972 Cb -0.10 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2qqr s VAL 972 CO 0.35 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.55 2qqr s TYR 973 N -0.42 1.22 0.31 5.22 1.51 -0.00 -4.95 117.35 120.24 2qqr s TYR 973 Ca 0.10 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 2qqr s TYR 973 Cb -0.12 -0.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.94 2qqr s TYR 973 CO 0.02 0.05 0.99 0.20 -1.11 0.00 0.00 175.55 175.70 2qqr s GLY 974 N -1.49 2.91 0.37 0.71 0.00 -1.26 -0.55 107.32 108.00 2qqr s GLY 974 Ca -0.00 0.64 -0.09 0.00 0.00 0.00 0.00 44.72 45.27 2qqr s GLY 974 CO 0.02 1.14 0.64 0.00 0.00 0.00 0.00 173.10 174.90 2qqr s ALA 975 N -1.45 -0.01 -0.04 3.20 0.00 0.18 -1.70 121.76 121.94 2qqr s ALA 975 Ca 0.48 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2qqr s ALA 975 Cb -0.23 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.80 2qqr s ALA 975 CO 0.29 -0.89 -0.12 0.15 0.00 0.00 0.00 175.76 175.19 2qqr s LYS 976 N -2.67 1.39 0.20 0.00 3.01 0.69 -0.94 119.74 121.42 2qqr s LYS 976 Ca 0.23 -0.40 -0.30 0.00 -1.01 0.00 0.00 55.97 54.49 2qqr s LYS 976 Cb -0.03 -1.22 -0.08 0.00 -1.01 0.00 0.00 37.83 35.49 2qqr s LYS 976 CO 0.16 0.10 1.23 0.12 0.51 0.00 0.00 175.35 177.47 2qqr s PHE 977 N 0.36 3.37 -0.10 3.18 5.36 -0.24 -1.03 117.98 128.89 2qqr s PHE 977 Ca -0.08 1.38 -0.12 0.00 -0.96 0.00 0.00 56.93 57.16 2qqr s PHE 977 Cb -0.12 -3.48 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 2qqr s PHE 977 CO 0.02 -1.38 -0.24 0.28 -1.46 0.00 0.00 175.22 172.44 2qqr n VAL 978 N 2.38 1.36 -3.52 3.12 0.31 0.13 -0.15 118.33 121.96 2qqr n VAL 978 Ca 0.04 0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 2qqr n VAL 978 Cb 0.44 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.58 -1.78 0.07 3.52 0.00 -1.07 -4.66 121.76 115.27 2qqr s ALA 979 Ca -0.20 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.69 2qqr s ALA 979 Cb 0.04 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2qqr s ALA 979 CO 0.30 -0.74 -0.23 -1.54 0.00 0.00 0.00 175.76 173.55 2qqr s SER 980 N -2.57 2.78 -0.12 0.00 1.04 -1.26 -0.29 113.70 113.28 2qqr s SER 980 Ca 0.05 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.83 2qqr s SER 980 Cb -0.01 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.96 2qqr s SER 980 CO -0.08 0.16 0.18 -1.00 0.98 0.00 0.00 173.24 173.48 2qqr s HIS 981 N -0.93 -0.20 0.44 5.02 3.76 -0.19 -4.99 115.29 118.21 2qqr s HIS 981 Ca 0.09 0.53 -0.23 0.00 -0.15 0.00 0.00 55.06 55.30 2qqr s HIS 981 Cb -0.10 -0.28 -0.08 0.00 1.11 0.00 0.00 32.58 33.23 2qqr s HIS 981 CO 0.03 -0.35 1.11 -1.25 -0.85 0.00 0.00 174.74 173.43 2qqr s PRO 982 N 2.30 3.91 -0.06 8.40 0.04 -1.26 -1.50 135.00 146.83 2qqr s PRO 982 Ca 0.04 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.75 2qqr s PRO 982 Cb -0.13 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2qqr s PRO 982 CO -0.07 -0.40 -0.12 0.42 0.04 0.00 0.00 177.00 176.87 2qqr s ILE 983 N -1.61 1.14 0.75 0.56 1.01 0.87 -4.94 121.20 118.97 2qqr s ILE 983 Ca 0.62 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 2qqr s ILE 983 Cb -0.25 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.22 2qqr s ILE 983 CO 0.31 0.35 1.08 -1.58 0.00 0.00 0.00 174.94 175.11 2qqr s GLN 984 N 0.66 2.49 -0.28 2.79 2.00 -1.26 -1.46 119.66 124.59 2qqr s GLN 984 Ca -0.15 1.05 -0.04 0.00 -2.00 0.00 0.00 55.36 54.22 2qqr s GLN 984 Cb -0.16 -1.93 0.16 0.00 0.80 0.00 0.00 33.01 31.88 2qqr s GLN 984 CO 0.04 -1.45 0.56 0.71 -0.50 0.00 0.00 175.29 174.66 2qqr s TYR 986 N -2.97 -1.34 -0.27 1.67 1.51 0.26 -4.52 117.35 111.69 2qqr s TYR 986 Ca 0.60 1.74 -0.25 0.00 -1.01 0.00 0.00 57.07 58.15 2qqr s TYR 986 Cb -0.16 0.53 0.00 0.00 -0.11 0.00 0.00 41.96 42.22 2qqr s TYR 986 CO 0.56 -0.76 0.87 -1.14 -1.11 0.00 0.00 175.55 173.97 2qqr s GLN 987 N 2.80 4.11 0.10 -0.62 0.74 -0.22 -0.62 119.66 125.96 2qqr s GLN 987 Ca 0.10 0.90 0.10 0.00 0.05 0.00 0.00 55.36 56.51 2qqr s GLN 987 Cb -0.14 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 2qqr s GLN 987 CO -0.19 -0.62 -0.23 0.14 -0.55 0.00 0.00 175.29 173.83 2qqr s VAL 988 N 3.02 2.46 -0.09 1.34 -7.23 0.11 0.12 120.40 120.13 2qqr s VAL 988 Ca 0.36 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2qqr s VAL 988 Cb -0.15 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2qqr s VAL 988 CO 0.10 0.16 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.14 2qqr s GLU 989 N -1.89 2.71 0.55 4.82 2.12 0.07 -1.71 118.70 125.37 2qqr s GLU 989 Ca 0.15 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2qqr s GLU 989 Cb -0.10 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.23 2qqr s GLU 989 CO 0.06 0.14 0.81 -0.06 -0.54 0.00 0.00 175.26 175.67 2qqr s PHE 990 N 0.43 3.06 0.42 5.30 0.40 0.02 -1.25 117.98 126.35 2qqr s PHE 990 Ca -0.18 0.27 0.17 0.00 -0.60 0.00 0.00 56.93 56.59 2qqr s PHE 990 Cb -0.17 -2.69 1.06 0.00 0.51 0.00 0.00 43.02 41.73 2qqr s PHE 990 CO 0.08 -0.79 1.87 1.49 0.70 0.00 0.00 175.22 178.56 2qqr h GLU 991 N 0.01 0.42 0.00 0.44 4.81 -1.89 0.11 114.58 118.47 2qqr h GLU 991 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2qqr h GLU 991 Cb 1.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2qqr h GLU 991 CO 0.57 0.28 0.00 -0.40 -0.73 0.00 0.00 179.01 178.72 2qqr n ASP 992 N -4.51 0.00 0.00 1.04 5.75 -1.26 -4.90 116.55 112.67 2qqr n ASP 992 Ca 0.18 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 2qqr n ASP 992 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 1.92 3.75 6.12 0.00 0.37 -5.04 105.19 113.12 2qqr n GLY 993 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.29 4.85 0.07 1.61 1.04 -1.26 -4.72 113.70 112.00 2qqr s SER 994 Ca 0.00 2.21 0.04 0.00 0.48 0.00 0.00 55.95 58.68 2qqr s SER 994 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2qqr s SER 994 CO 0.00 -1.82 -0.11 -1.10 0.98 0.00 0.00 173.24 171.20 2qqr s GLN 995 N -3.82 0.75 0.04 4.02 -0.21 -1.26 -0.80 119.66 118.37 2qqr s GLN 995 Ca 0.72 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 55.08 2qqr s GLN 995 Cb -0.26 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 2qqr s GLN 995 CO 0.40 0.11 0.04 -0.51 -2.12 0.00 0.00 175.29 173.20 2qqr s LEU 996 N -1.99 2.08 -0.26 2.90 1.43 -0.69 -4.99 118.68 117.16 2qqr s LEU 996 Ca -0.01 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 2qqr s LEU 996 Cb -0.07 0.39 -0.00 0.00 0.03 0.00 0.00 46.19 46.54 2qqr s LEU 996 CO 0.01 -0.49 0.03 -0.69 0.23 0.00 0.00 176.35 175.44 2qqr s VAL 997 N -2.71 3.77 0.18 -1.59 1.01 -1.26 -0.71 120.40 119.09 2qqr s VAL 997 Ca -0.04 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2qqr s VAL 997 Cb -0.01 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2qqr s VAL 997 CO -0.05 0.24 -0.15 0.68 0.00 0.00 0.00 175.10 175.82 2qqr s VAL 998 N 1.50 1.68 0.55 2.92 -7.23 0.21 -4.89 120.40 115.15 2qqr s VAL 998 Ca 0.04 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2qqr s VAL 998 Cb -0.16 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 2qqr s VAL 998 CO 0.00 -0.53 0.88 -1.59 -0.31 0.00 0.00 175.10 173.55 2qqr s LYS 999 N -3.36 3.28 0.26 4.82 0.00 -1.26 -0.57 119.74 122.91 2qqr s LYS 999 Ca 0.19 0.20 -0.01 0.00 0.00 0.00 0.00 55.97 56.35 2qqr s LYS 999 Cb -0.02 -2.28 0.56 0.00 0.00 0.00 0.00 37.83 36.09 2qqr s LYS 999 CO 0.06 -0.48 1.72 -0.09 0.00 0.00 0.00 175.35 176.56 2qqr h ARG 1000N -0.04 0.45 0.00 1.78 9.65 -1.94 -1.34 114.38 122.94 2qqr h ARG 1000Ca -0.46 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2qqr h ARG 1000Cb 1.22 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2qqr h ARG 1000CO 0.61 0.30 0.00 -0.25 2.80 0.00 0.00 179.97 183.43 2qqr n ASP 1001N -4.99 0.65 -1.21 -3.80 8.00 -1.26 -1.68 116.55 112.26 2qqr n ASP 1001Ca 0.17 0.71 0.11 0.00 0.71 0.00 0.00 54.79 56.49 2qqr n ASP 1001Cb 0.50 -0.83 0.28 0.00 -0.02 0.00 0.00 41.12 41.05 2qqr n ASP 1001CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qqr n ASP 1002N -2.27 3.54 -4.46 -2.24 8.00 -0.51 -4.70 116.55 113.92 2qqr n ASP 1002Ca 0.01 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.19 2qqr n ASP 1002Cb 0.16 -0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.21 3.28 0.03 2.53 1.01 -0.68 -4.36 120.40 121.00 2qqr s VAL 1003Ca 0.44 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2qqr s VAL 1003Cb 0.23 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2qqr s VAL 1003CO 0.31 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.46 2qqr s TYR 1004N -0.20 1.74 0.64 5.22 1.51 -0.23 -4.69 117.35 121.34 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 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 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 -0.73 4.51 0.49 -0.71 -4.23 -1.26 -0.05 115.64 113.66 2qqr s THR 1005Ca 0.07 0.82 0.28 0.00 -1.18 0.00 0.00 61.69 61.68 2qqr s THR 1005Cb -0.08 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 70.34 2qqr s THR 1005CO 0.01 -1.06 2.15 -0.07 -0.54 0.00 0.00 174.62 175.11 2qqr h LEU 1006N -0.42 0.00 -0.22 4.79 3.38 -1.91 -2.55 115.31 118.37 2qqr h LEU 1006Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2qqr h LEU 1006Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2qqr h LEU 1006CO 0.61 0.07 -0.21 -0.90 0.09 0.00 0.00 178.44 178.10 2qqr n ASP 1007N -3.74 0.55 -4.88 -0.43 5.75 -1.26 -4.92 116.55 107.62 2qqr n ASP 1007Ca -0.02 -0.46 -0.29 0.00 -0.01 0.00 0.00 54.79 54.00 2qqr n ASP 1007Cb 0.17 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 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 -2.64 3.25 0.39 0.11 -1.05 -0.96 -5.08 118.70 112.72 2qqr s GLU 1008Ca 0.23 -0.58 -0.27 0.00 -0.15 0.00 0.00 54.97 54.20 2qqr s GLU 1008Cb 0.19 -2.91 -0.09 0.00 -0.44 0.00 0.00 34.13 30.88 2qqr s GLU 1008CO 0.53 0.57 1.35 -2.00 0.95 0.00 0.00 175.26 176.66 2qqr s GLU 1009N -2.70 4.07 0.06 -4.83 2.56 -1.26 -4.89 118.70 111.70 2qqr s GLU 1009Ca 0.33 2.27 0.02 0.00 0.00 0.00 0.00 54.97 57.59 2qqr s GLU 1009Cb -0.12 -2.87 -0.04 0.00 2.00 0.00 0.00 34.13 33.10 2qqr s GLU 1009CO 0.26 -0.45 0.09 -0.51 -0.56 0.00 0.00 175.26 174.09 2qqr s LEU 1010N -2.23 3.87 0.00 2.70 1.43 -1.26 -5.06 118.68 118.13 2qqr s LEU 1010Ca 0.54 0.05 0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2qqr s LEU 1010Cb -0.41 -2.47 1.25 0.00 0.03 0.00 0.00 46.19 44.60 2qqr s LEU 1010CO 0.53 0.20 1.86 -0.81 0.23 0.00 0.00 176.35 178.36