#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqs s THR 900 N 0.00 1.68 -0.28 1.39 -1.32 -1.26 -4.96 115.64 110.89 2qqs s THR 900 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 2qqs s THR 900 Cb 0.00 -2.08 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 2qqs s THR 900 CO 0.00 0.00 -0.01 0.00 -2.21 0.00 0.00 174.62 172.40 2qqs s ALA 901 N -2.40 2.26 -0.04 11.08 0.00 -1.26 -3.35 121.76 128.05 2qqs s ALA 901 Ca 0.69 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2qqs s ALA 901 Cb -0.20 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2qqs s ALA 901 CO 0.62 -1.39 -0.19 0.20 0.00 0.00 0.00 175.76 175.00 2qqs s GLY 902 N 1.24 0.99 0.74 0.00 0.00 -1.22 -5.02 107.32 104.05 2qqs s GLY 902 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 2qqs s GLY 902 CO -0.09 -0.48 1.04 -0.86 0.00 0.00 0.00 173.10 172.70 2qqs s GLN 903 N -0.11 1.84 -0.85 2.90 -2.07 -1.21 -4.68 119.66 115.48 2qqs s GLN 903 Ca -0.01 -0.54 -0.16 0.00 -1.82 0.00 0.00 55.36 52.83 2qqs s GLN 903 Cb -0.11 -2.19 0.18 0.00 -1.09 0.00 0.00 33.01 29.80 2qqs s GLN 903 CO 0.02 -1.43 0.90 0.15 -1.32 0.00 0.00 175.29 173.61 2qqs s LYS 904 N -5.28 3.57 0.55 9.60 -0.14 -1.26 -3.04 119.74 123.74 2qqs s LYS 904 Ca 0.64 -2.13 0.09 0.00 -1.36 0.00 0.00 55.97 53.21 2qqs s LYS 904 Cb -0.08 -4.61 0.07 0.00 -1.68 0.00 0.00 37.83 31.53 2qqs s LYS 904 CO 0.45 -1.49 0.72 0.14 -0.76 0.00 0.00 175.35 174.41 2qqs s VAL 905 N 1.28 2.19 -0.19 3.17 -7.23 -1.19 -4.81 120.40 113.63 2qqs s VAL 905 Ca 0.23 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2qqs s VAL 905 Cb -0.09 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2qqs s VAL 905 CO -0.08 0.00 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.95 2qqs s ILE 906 N -2.64 2.78 0.28 -0.62 1.09 -0.65 0.10 121.20 121.55 2qqs s ILE 906 Ca 0.58 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 59.45 2qqs s ILE 906 Cb -0.06 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 2qqs s ILE 906 CO 0.36 0.49 0.16 -0.55 -0.10 0.00 0.00 174.94 175.30 2qqs s SER 907 N 1.18 1.27 -0.11 3.58 0.15 -0.93 -0.93 113.70 117.92 2qqs s SER 907 Ca 0.02 -1.53 -0.19 0.00 0.70 0.00 0.00 55.95 54.94 2qqs s SER 907 Cb -0.14 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2qqs s SER 907 CO -0.05 -0.88 0.52 -0.75 1.20 0.00 0.00 173.24 173.28 2qqs s LYS 908 N -3.86 4.35 0.65 5.44 2.20 -1.26 -1.99 119.74 125.27 2qqs s LYS 908 Ca 0.37 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 56.41 2qqs s LYS 908 Cb 0.05 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2qqs s LYS 908 CO 0.17 0.14 1.02 -1.58 -0.36 0.00 0.00 175.35 174.73 2qqs s HIS 909 N 0.67 3.39 -2.02 4.03 5.65 0.69 -4.97 115.29 122.73 2qqs s HIS 909 Ca 0.28 0.99 0.09 0.00 0.25 0.00 0.00 55.06 56.67 2qqs s HIS 909 Cb -0.16 -2.87 0.30 0.00 -1.18 0.00 0.00 32.58 28.67 2qqs s HIS 909 CO 0.12 -0.93 1.23 0.36 -0.65 0.00 0.00 174.74 174.86 2qqs n LYS 910 N -2.80 1.57 -0.03 2.88 -0.00 -1.26 -2.01 118.16 116.51 2qqs n LYS 910 Ca 0.06 -0.89 0.03 0.00 -0.00 0.00 0.00 58.31 57.51 2qqs n LYS 910 Cb 0.56 -1.21 0.16 0.00 -0.00 0.00 0.00 35.03 34.54 2qqs n LYS 910 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2qqs n ASN 911 N 0.21 0.34 0.00 -5.58 6.94 -1.26 -4.86 115.26 111.05 2qqs n ASN 911 Ca 0.09 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 2qqs n ASN 911 Cb 0.22 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 2qqs n ASN 911 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qqs n GLY 912 N 0.67 1.80 3.87 4.83 0.00 -0.85 -5.02 105.19 110.48 2qqs n GLY 912 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2qqs n GLY 912 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qqs s ARG 913 N -0.28 3.76 0.01 1.61 0.52 -1.24 -4.84 118.95 118.49 2qqs s ARG 913 Ca 0.00 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.10 2qqs s ARG 913 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 2qqs s ARG 913 CO 0.00 0.55 0.93 -0.06 0.02 0.00 0.00 175.30 176.74 2qqs s PHE 914 N -1.42 3.67 0.04 -0.53 0.40 -1.26 -0.22 117.98 118.67 2qqs s PHE 914 Ca 0.34 1.64 -0.03 0.00 -0.60 0.00 0.00 56.93 58.28 2qqs s PHE 914 Cb -0.14 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 2qqs s PHE 914 CO 0.18 0.05 0.03 0.71 0.70 0.00 0.00 175.22 176.90 2qqs s TYR 915 N 0.78 0.32 0.34 0.36 1.51 -0.84 -4.95 117.35 114.86 2qqs s TYR 915 Ca 0.48 -0.70 -0.28 0.00 -1.01 0.00 0.00 57.07 55.57 2qqs s TYR 915 Cb -0.21 -0.23 -0.09 0.00 -0.11 0.00 0.00 41.96 41.32 2qqs s TYR 915 CO 0.27 -0.34 1.18 -1.14 -1.11 0.00 0.00 175.55 174.41 2qqs s GLN 916 N -2.86 4.35 0.00 -0.62 0.74 -1.26 -2.18 119.66 117.83 2qqs s GLN 916 Ca -0.03 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.31 2qqs s GLN 916 Cb 0.00 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.15 2qqs s GLN 916 CO -0.06 -0.09 0.00 0.00 -0.55 0.00 0.00 175.29 174.59 2qqs s GLU 918 N -1.89 0.57 0.10 0.00 -6.30 -1.14 -3.16 118.70 106.88 2qqs s GLU 918 Ca 0.00 1.40 -0.31 0.00 -2.50 0.00 0.00 54.97 53.56 2qqs s GLU 918 Cb 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 34.13 34.89 2qqs s GLU 918 CO 0.00 -0.22 1.42 0.08 0.02 0.00 0.00 175.26 176.56 2qqs s VAL 919 N 2.88 3.27 -0.25 3.70 1.01 -1.17 -1.59 120.40 128.26 2qqs s VAL 919 Ca -0.04 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 2qqs s VAL 919 Cb -0.12 -3.57 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 2qqs s VAL 919 CO -0.19 0.06 -0.16 0.52 0.00 0.00 0.00 175.10 175.33 2qqs n VAL 920 N 4.08 1.54 -4.42 2.92 0.31 -0.15 -3.42 118.33 119.19 2qqs n VAL 920 Ca 0.12 -0.39 -0.20 0.00 -0.01 0.00 0.00 64.34 63.87 2qqs n VAL 920 Cb 0.42 -1.79 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 2qqs n VAL 920 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qqs s ARG 921 N -2.49 0.87 -0.20 5.55 0.52 -1.22 -4.85 118.95 117.13 2qqs s ARG 921 Ca -0.35 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.29 2qqs s ARG 921 Cb 0.11 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 2qqs s ARG 921 CO 0.56 0.22 0.10 -0.51 0.02 0.00 0.00 175.30 175.69 2qqs s LEU 922 N -0.51 3.97 0.20 2.53 1.43 -1.26 -1.31 118.68 123.74 2qqs s LEU 922 Ca 0.03 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2qqs s LEU 922 Cb -0.05 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2qqs s LEU 922 CO -0.00 0.15 -0.04 0.42 0.23 0.00 0.00 176.35 177.11 2qqs s THR 923 N 0.52 1.11 -0.13 5.49 -4.23 -0.53 -5.00 115.64 112.88 2qqs s THR 923 Ca 0.05 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2qqs s THR 923 Cb -0.12 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2qqs s THR 923 CO 0.00 -0.47 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.56 2qqs s THR 924 N -3.37 2.66 -0.11 3.99 2.01 -1.26 -0.47 115.64 119.08 2qqs s THR 924 Ca 0.25 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2qqs s THR 924 Cb 0.04 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2qqs s THR 924 CO 0.06 0.53 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.79 2qqs s GLU 925 N 0.47 3.21 0.08 4.92 2.02 -0.62 -4.92 118.70 123.86 2qqs s GLU 925 Ca -0.12 -0.67 -0.19 0.00 0.02 0.00 0.00 54.97 54.01 2qqs s GLU 925 Cb -0.16 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.40 2qqs s GLU 925 CO 0.05 0.31 0.57 0.99 0.02 0.00 0.00 175.26 177.21 2qqs s THR 926 N 0.09 4.73 0.20 3.63 2.01 -1.26 0.86 115.64 125.90 2qqs s THR 926 Ca -0.05 1.23 0.08 0.00 0.31 0.00 0.00 61.69 63.26 2qqs s THR 926 Cb -0.15 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2qqs s THR 926 CO 0.04 0.55 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.00 2qqs s PHE 927 N -1.11 1.81 -0.13 4.92 0.40 -0.13 -4.54 117.98 119.19 2qqs s PHE 927 Ca 0.29 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2qqs s PHE 927 Cb -0.20 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 2qqs s PHE 927 CO 0.19 0.39 -0.16 0.71 0.70 0.00 0.00 175.22 177.06 2qqs s TYR 928 N -2.61 2.75 -0.29 0.36 4.12 0.33 0.15 117.35 122.17 2qqs s TYR 928 Ca 0.21 -0.78 -0.18 0.00 0.02 0.00 0.00 57.07 56.33 2qqs s TYR 928 Cb -0.03 -1.82 -0.02 0.00 -1.52 0.00 0.00 41.96 38.57 2qqs s TYR 928 CO 0.08 -0.29 0.54 -2.00 0.02 0.00 0.00 175.55 173.89 2qqs s GLU 929 N 0.41 3.93 0.12 -0.62 2.12 0.15 -3.28 118.70 121.53 2qqs s GLU 929 Ca -0.12 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.48 2qqs s GLU 929 Cb -0.16 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2qqs s GLU 929 CO 0.06 -0.47 -0.14 0.14 -0.54 0.00 0.00 175.26 174.31 2qqs s VAL 930 N 2.40 1.27 -0.10 3.70 -7.23 -0.98 -0.47 120.40 118.99 2qqs s VAL 930 Ca 0.21 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.62 2qqs s VAL 930 Cb -0.15 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2qqs s VAL 930 CO 0.11 -0.42 0.19 0.20 -0.31 0.00 0.00 175.10 174.87 2qqs s ASN 931 N -2.40 6.47 0.35 4.85 0.01 -0.22 -2.35 114.94 121.66 2qqs s ASN 931 Ca 0.08 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.80 2qqs s ASN 931 Cb -0.05 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 2qqs s ASN 931 CO 0.03 0.39 0.55 -0.36 -1.51 0.00 0.00 177.10 176.19 2qqs s PHE 932 N -1.00 3.44 -0.36 2.20 0.40 0.83 -1.33 117.98 122.17 2qqs s PHE 932 Ca 0.17 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.80 2qqs s PHE 932 Cb -0.13 -1.93 0.14 0.00 0.51 0.00 0.00 43.02 41.61 2qqs s PHE 932 CO 0.06 0.07 0.85 -0.25 0.70 0.00 0.00 175.22 176.65 2qqs n ASP 933 N -1.79 0.07 -2.73 1.36 8.00 -0.60 -2.91 116.55 117.94 2qqs n ASP 933 Ca -0.04 0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 2qqs n ASP 933 Cb 0.56 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2qqs n ASP 933 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qqs n ASP 934 N -1.42 1.43 0.00 -2.24 5.75 -1.26 -4.95 116.55 113.85 2qqs n ASP 934 Ca -0.00 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 2qqs n ASP 934 Cb 0.29 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2qqs n ASP 934 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqs n GLY 935 N -0.02 0.51 3.96 6.12 0.00 -1.15 -4.94 105.19 109.68 2qqs n GLY 935 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2qqs n GLY 935 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qqs s SER 936 N -2.42 4.99 0.24 1.61 0.15 -1.26 -4.89 113.70 112.11 2qqs s SER 936 Ca 0.00 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.64 2qqs s SER 936 Cb 0.00 -0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 63.47 2qqs s SER 936 CO 0.00 -1.39 0.38 0.72 1.20 0.00 0.00 173.24 174.15 2qqs s PHE 937 N -2.97 0.59 -0.04 3.44 -0.71 -1.26 -0.12 117.98 116.91 2qqs s PHE 937 Ca 0.60 -0.91 -0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2qqs s PHE 937 Cb -0.10 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.70 2qqs s PHE 937 CO 0.41 -0.90 0.11 0.45 -1.34 0.00 0.00 175.22 173.96 2qqs s SER 938 N -3.06 -0.11 -0.04 1.98 0.15 -0.99 -4.92 113.70 106.71 2qqs s SER 938 Ca 0.27 0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.20 2qqs s SER 938 Cb 0.01 0.23 0.16 0.00 -1.71 0.00 0.00 66.02 64.72 2qqs s SER 938 CO 0.10 -0.06 1.12 -0.90 1.20 0.00 0.00 173.24 174.70 2qqs n ASP 939 N 2.94 2.42 -0.54 5.45 5.75 -1.26 -2.31 116.55 129.00 2qqs n ASP 939 Ca -0.13 -2.26 0.06 0.00 -0.01 0.00 0.00 54.79 52.45 2qqs n ASP 939 Cb 0.59 -0.17 0.19 0.00 -1.03 0.00 0.00 41.12 40.71 2qqs n ASP 939 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2qqs n ASN 940 N -0.42 1.97 -4.79 -1.12 0.23 -1.26 -4.50 115.26 105.37 2qqs n ASN 940 Ca 0.07 -3.69 -0.39 0.00 -0.53 0.00 0.00 54.58 50.04 2qqs n ASN 940 Cb 0.40 -0.52 -0.06 0.00 -2.08 0.00 0.00 39.78 37.53 2qqs n ASN 940 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2qqs s LEU 941 N -3.15 4.49 0.42 -4.53 1.43 -1.20 -4.86 118.68 111.27 2qqs s LEU 941 Ca 0.37 1.23 -0.20 0.00 -1.03 0.00 0.00 54.13 54.51 2qqs s LEU 941 Cb 0.35 -2.92 -0.11 0.00 0.03 0.00 0.00 46.19 43.55 2qqs s LEU 941 CO -0.04 0.21 0.92 -0.31 0.23 0.00 0.00 176.35 177.36 2qqs s TYR 942 N -0.76 3.33 0.32 0.29 1.51 -1.26 0.12 117.35 120.90 2qqs s TYR 942 Ca 0.30 1.55 0.10 0.00 -1.01 0.00 0.00 57.07 58.00 2qqs s TYR 942 Cb -0.19 -2.80 0.93 0.00 -0.11 0.00 0.00 41.96 39.79 2qqs s TYR 942 CO 0.18 -0.09 1.68 -1.35 -1.11 0.00 0.00 175.55 174.86 2qqs h PRO 943 N 1.91 0.38 0.00 -1.71 0.11 -1.92 -0.68 132.00 130.08 2qqs h PRO 943 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qqs h PRO 943 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qqs h PRO 943 CO 0.62 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.71 2qqs h GLU 944 N 0.39 0.00 0.00 1.05 9.09 -1.93 -2.38 114.58 120.79 2qqs h GLU 944 Ca 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 60.06 2qqs h GLU 944 Cb 1.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.48 2qqs h GLU 944 CO -0.57 0.00 -0.03 -0.44 0.05 0.00 0.00 179.01 178.02 2qqs h ASP 945 N 0.00 0.00 -3.18 3.06 3.32 -1.45 -3.42 116.42 114.74 2qqs h ASP 945 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2qqs h ASP 945 Cb 0.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 2qqs h ASP 945 CO 0.00 0.03 1.09 -0.63 -1.72 0.00 0.00 179.24 178.02 2qqs s ILE 946 N -3.32 3.85 -0.15 0.35 -1.09 -0.90 -0.51 121.20 119.43 2qqs s ILE 946 Ca 0.05 0.85 0.22 0.00 -2.23 0.00 0.00 60.65 59.55 2qqs s ILE 946 Cb 0.06 -4.18 -0.14 0.00 -1.58 0.00 0.00 42.46 36.61 2qqs s ILE 946 CO 0.64 -0.78 0.80 1.33 -1.23 0.00 0.00 174.94 175.71 2qqs n VAL 947 N 7.09 0.38 0.25 2.92 0.24 0.19 -4.01 118.33 125.40 2qqs n VAL 947 Ca 0.17 -0.53 0.08 0.00 -2.04 0.00 0.00 64.34 62.01 2qqs n VAL 947 Cb 0.48 -0.21 0.63 0.00 -1.47 0.00 0.00 33.84 33.27 2qqs n VAL 947 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qqs h SER 948 N 0.00 0.00 -5.44 -1.34 4.64 -1.87 -3.46 113.55 106.08 2qqs h SER 948 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 2qqs h SER 948 Cb 1.02 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.03 2qqs h SER 948 CO 0.00 0.09 -0.18 0.00 -0.87 0.00 0.00 176.83 175.86 2qqs s GLN 949 N -4.75 1.79 -0.71 4.77 -2.07 -1.26 -5.00 119.66 112.43 2qqs s GLN 949 Ca -0.04 -1.61 -0.10 0.00 -1.82 0.00 0.00 55.36 51.78 2qqs s GLN 949 Cb 0.16 0.45 0.18 0.00 -1.09 0.00 0.00 33.01 32.71 2qqs s GLN 949 CO 0.66 -0.74 0.60 0.34 -1.32 0.00 0.00 175.29 174.83 2qqs s ASP 950 N -3.17 6.14 0.06 12.60 -1.08 -1.26 -4.82 116.67 125.13 2qqs s ASP 950 Ca 0.28 -2.59 0.24 0.00 -0.52 0.00 0.00 52.55 49.96 2qqs s ASP 950 Cb -0.00 -2.08 0.23 0.00 -1.46 0.00 0.00 42.92 39.61 2qqs s ASP 950 CO 0.17 -0.54 1.20 0.00 0.52 0.00 0.00 175.17 176.51 2qqs h LEU 952 N 0.00 0.22 0.09 0.00 7.12 -1.85 -2.31 115.31 118.58 2qqs h LEU 952 Ca 0.00 -0.21 -0.35 0.00 0.13 0.00 0.00 57.88 57.45 2qqs h LEU 952 Cb 0.67 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.70 2qqs h LEU 952 CO 0.00 1.07 -1.96 1.67 -0.13 0.00 0.00 178.44 179.09 2qqs n GLN 953 N -3.56 0.72 -0.00 1.25 0.00 -1.24 -4.72 117.38 109.83 2qqs n GLN 953 Ca -0.04 0.26 0.05 0.00 -0.00 0.00 0.00 57.00 57.27 2qqs n GLN 953 Cb 0.88 -1.72 -0.07 0.00 0.00 0.00 0.00 30.24 29.34 2qqs n GLN 953 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2qqs n PHE 954 N -3.35 0.00 0.00 3.69 0.99 -0.64 -5.13 117.46 113.02 2qqs n PHE 954 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 2qqs n PHE 954 Cb 1.05 -0.17 0.00 0.00 -1.00 0.00 0.00 39.48 39.35 2qqs n PHE 954 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qqs n GLY 955 N 1.83 1.79 3.71 1.37 0.00 -0.87 -5.00 105.19 108.01 2qqs n GLY 955 Ca -0.01 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2qqs n GLY 955 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qqs s PRO 956 N -1.92 1.44 1.09 1.61 0.02 -1.26 -4.31 135.00 131.69 2qqs s PRO 956 Ca 0.00 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.19 2qqs s PRO 956 Cb 0.00 -1.79 0.24 0.00 0.02 0.00 0.00 34.50 32.97 2qqs s PRO 956 CO 0.00 -2.25 1.05 -2.14 -0.33 0.00 0.00 177.00 173.33 2qqs s PRO 957 N -4.77 -0.36 0.40 5.54 0.02 -1.26 -4.97 135.00 129.60 2qqs s PRO 957 Ca 0.64 0.76 -0.26 0.00 0.02 0.00 0.00 61.00 62.16 2qqs s PRO 957 Cb -0.20 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 2qqs s PRO 957 CO 0.57 -3.33 1.33 0.00 -0.33 0.00 0.00 177.00 175.25 2qqs s ALA 958 N -2.65 3.31 0.53 -1.55 0.00 -1.26 -4.96 121.76 115.19 2qqs s ALA 958 Ca 0.67 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.70 2qqs s ALA 958 Cb -0.23 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 2qqs s ALA 958 CO 0.62 -0.86 1.37 -1.91 0.00 0.00 0.00 175.76 174.97 2qqs n GLU 959 N 0.21 1.78 -0.96 0.00 2.13 -1.26 -1.21 120.64 121.33 2qqs n GLU 959 Ca 0.03 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2qqs n GLU 959 Cb 0.43 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2qqs n GLU 959 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qqs n GLY 960 N 0.73 0.40 3.74 8.31 0.00 0.54 -4.96 105.19 113.96 2qqs n GLY 960 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2qqs n GLY 960 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqs s GLU 961 N -0.61 4.61 0.10 1.61 2.12 -0.35 -4.73 118.70 121.45 2qqs s GLU 961 Ca 0.00 1.28 -0.31 0.00 0.36 0.00 0.00 54.97 56.30 2qqs s GLU 961 Cb 0.00 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.93 2qqs s GLU 961 CO 0.00 0.25 1.60 0.08 -0.54 0.00 0.00 175.26 176.64 2qqs s VAL 962 N -0.04 2.95 0.06 3.70 1.01 -1.26 -0.38 120.40 126.45 2qqs s VAL 962 Ca 0.43 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.97 2qqs s VAL 962 Cb -0.22 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2qqs s VAL 962 CO 0.27 0.01 -0.09 0.68 0.00 0.00 0.00 175.10 175.97 2qqs s VAL 963 N 2.06 0.70 -0.25 2.92 -7.23 0.49 -4.91 120.40 114.18 2qqs s VAL 963 Ca 0.72 -1.25 -0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2qqs s VAL 963 Cb -0.40 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2qqs s VAL 963 CO 0.31 -0.42 0.12 -1.10 -0.31 0.00 0.00 175.10 173.71 2qqs s GLN 964 N -1.93 3.83 -0.03 4.82 -1.52 -1.26 -1.43 119.66 122.14 2qqs s GLN 964 Ca -0.05 -0.39 0.06 0.00 -1.95 0.00 0.00 55.36 53.03 2qqs s GLN 964 Cb -0.08 -3.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 2qqs s GLN 964 CO 0.00 -0.11 -0.21 0.54 -0.25 0.00 0.00 175.29 175.26 2qqs s VAL 965 N 1.48 1.70 -0.34 1.09 0.11 -0.29 -0.64 120.40 123.52 2qqs s VAL 965 Ca 0.06 -0.89 -0.25 0.00 -2.93 0.00 0.00 61.98 57.97 2qqs s VAL 965 Cb -0.15 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2qqs s VAL 965 CO 0.06 0.48 0.87 -0.60 -3.33 0.00 0.00 175.10 172.58 2qqs s ARG 966 N -0.27 3.89 0.80 1.54 3.52 0.33 -0.50 118.95 128.27 2qqs s ARG 966 Ca 0.02 0.59 -0.11 0.00 -0.13 0.00 0.00 55.73 56.10 2qqs s ARG 966 Cb -0.10 -3.77 0.10 0.00 -1.56 0.00 0.00 34.95 29.61 2qqs s ARG 966 CO 0.01 -0.83 1.15 -0.46 -0.81 0.00 0.00 175.30 174.36 2qqs s TRP 967 N 3.24 2.66 0.58 5.12 -0.00 0.05 -4.86 118.94 125.73 2qqs s TRP 967 Ca 0.36 0.55 0.28 0.00 -0.00 0.00 0.00 56.10 57.28 2qqs s TRP 967 Cb -0.13 -3.49 1.54 0.00 -0.00 0.00 0.00 33.47 31.38 2qqs s TRP 967 CO 0.16 -1.81 2.00 1.79 -0.00 0.00 0.00 176.95 179.09 2qqs h THR 968 N -1.00 0.48 -0.04 5.86 1.35 -1.97 0.59 112.91 118.19 2qqs h THR 968 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qqs h THR 968 Cb 1.31 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2qqs h THR 968 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 2qqs n ASP 969 N -3.88 0.21 0.00 5.36 5.75 -1.26 -4.89 116.55 117.84 2qqs n ASP 969 Ca 0.06 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2qqs n ASP 969 Cb 0.50 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2qqs n ASP 969 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqs n GLY 970 N 0.56 0.50 3.89 6.12 0.00 0.21 -5.00 105.19 111.47 2qqs n GLY 970 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2qqs n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qqs s GLN 971 N -0.53 3.66 -0.14 1.61 -1.52 -1.25 -4.77 119.66 116.71 2qqs s GLN 971 Ca 0.00 0.00 -0.16 0.00 -1.95 0.00 0.00 55.36 53.25 2qqs s GLN 971 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 2qqs s GLN 971 CO 0.00 0.41 0.40 0.08 -0.25 0.00 0.00 175.29 175.92 2qqs s VAL 972 N -1.74 5.24 0.04 1.09 1.01 -1.26 -0.77 120.40 124.00 2qqs s VAL 972 Ca 0.43 0.77 0.06 0.00 0.00 0.00 0.00 61.98 63.23 2qqs s VAL 972 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2qqs s VAL 972 CO 0.24 0.34 -0.17 -0.31 0.00 0.00 0.00 175.10 175.21 2qqs s TYR 973 N 0.63 1.48 0.24 5.22 1.51 0.35 -4.93 117.35 121.86 2qqs s TYR 973 Ca 0.21 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 2qqs s TYR 973 Cb -0.14 -0.88 -0.09 0.00 -0.11 0.00 0.00 41.96 40.74 2qqs s TYR 973 CO 0.07 0.06 1.12 0.20 -1.11 0.00 0.00 175.55 175.90 2qqs s GLY 974 N -1.12 2.95 0.31 0.71 0.00 -1.26 -1.13 107.32 107.77 2qqs s GLY 974 Ca 0.04 0.90 -0.18 0.00 0.00 0.00 0.00 44.72 45.48 2qqs s GLY 974 CO 0.01 1.61 0.86 0.00 0.00 0.00 0.00 173.10 175.58 2qqs s ALA 975 N -0.78 -1.07 0.01 3.20 0.00 -0.51 -1.56 121.76 121.05 2qqs s ALA 975 Ca 0.47 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.95 2qqs s ALA 975 Cb -0.32 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2qqs s ALA 975 CO 0.39 -1.02 -0.19 0.15 0.00 0.00 0.00 175.76 175.10 2qqs s LYS 976 N -2.49 1.43 0.44 0.00 1.02 -0.44 -0.38 119.74 119.31 2qqs s LYS 976 Ca 0.16 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 55.17 2qqs s LYS 976 Cb -0.04 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.74 2qqs s LYS 976 CO 0.09 0.38 1.04 0.12 -0.92 0.00 0.00 175.35 176.06 2qqs s PHE 977 N -0.59 3.16 0.06 3.18 5.36 0.49 -1.05 117.98 128.59 2qqs s PHE 977 Ca 0.07 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 2qqs s PHE 977 Cb -0.08 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.52 2qqs s PHE 977 CO 0.00 -0.68 0.00 0.28 -1.46 0.00 0.00 175.22 173.36 2qqs n VAL 978 N -0.48 0.75 -3.51 3.12 0.31 0.38 -0.34 118.33 118.56 2qqs n VAL 978 Ca 0.07 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.54 2qqs n VAL 978 Cb 0.51 -1.35 -0.02 0.00 -0.91 0.00 0.00 33.84 32.07 2qqs n VAL 978 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qqs s ALA 979 N -2.00 -1.55 -0.29 3.52 0.00 -0.97 -4.60 121.76 115.86 2qqs s ALA 979 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 2qqs s ALA 979 Cb 0.00 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2qqs s ALA 979 CO 0.00 -0.82 0.30 0.45 0.00 0.00 0.00 175.76 175.70 2qqs s SER 980 N -2.76 6.15 -0.64 0.00 0.15 -1.26 0.33 113.70 115.66 2qqs s SER 980 Ca 0.03 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.61 2qqs s SER 980 Cb -0.02 -2.17 0.17 0.00 -1.71 0.00 0.00 66.02 62.28 2qqs s SER 980 CO -0.09 -0.18 0.55 -1.00 1.20 0.00 0.00 173.24 173.72 2qqs s HIS 981 N 1.94 3.51 -0.25 3.44 3.76 0.39 -4.92 115.29 123.16 2qqs s HIS 981 Ca 0.11 -1.96 -0.27 0.00 -0.15 0.00 0.00 55.06 52.79 2qqs s HIS 981 Cb -0.16 -3.62 0.01 0.00 1.11 0.00 0.00 32.58 29.92 2qqs s HIS 981 CO 0.11 -0.97 0.96 -1.25 -0.85 0.00 0.00 174.74 172.74 2qqs s PRO 982 N 0.71 4.20 0.05 8.40 0.04 -1.26 -0.96 135.00 146.18 2qqs s PRO 982 Ca 0.12 1.16 0.08 0.00 0.04 0.00 0.00 61.00 62.39 2qqs s PRO 982 Cb -0.20 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 2qqs s PRO 982 CO -0.03 -0.62 -0.21 0.42 0.04 0.00 0.00 177.00 176.60 2qqs s ILE 983 N 3.11 2.60 -0.33 0.56 1.01 0.25 -4.94 121.20 123.46 2qqs s ILE 983 Ca 0.40 -1.29 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 2qqs s ILE 983 Cb -0.15 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.25 2qqs s ILE 983 CO 0.08 0.31 1.02 -1.58 0.00 0.00 0.00 174.94 174.77 2qqs s GLN 984 N -1.47 4.00 0.11 2.79 2.00 -1.26 -1.59 119.66 124.25 2qqs s GLN 984 Ca 0.14 0.91 0.09 0.00 -2.00 0.00 0.00 55.36 54.51 2qqs s GLN 984 Cb -0.10 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.91 2qqs s GLN 984 CO 0.05 -0.91 -0.21 -1.64 -0.50 0.00 0.00 175.29 172.08 2qqs s MET 985 N 3.58 1.70 -0.17 1.67 -1.94 0.38 -3.52 119.30 121.00 2qqs s MET 985 Ca 0.43 -1.21 -0.00 0.00 -1.71 0.00 0.00 55.69 53.20 2qqs s MET 985 Cb -0.12 -2.06 0.04 0.00 2.01 0.00 0.00 34.83 34.70 2qqs s MET 985 CO 0.16 0.48 -0.06 0.71 -0.01 0.00 0.00 175.02 176.30 2qqs s TYR 986 N -1.09 1.74 -0.28 -0.03 1.51 -0.60 -1.46 117.35 117.14 2qqs s TYR 986 Ca 0.16 -1.10 -0.29 0.00 -1.01 0.00 0.00 57.07 54.83 2qqs s TYR 986 Cb -0.10 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2qqs s TYR 986 CO 0.08 -0.62 1.08 -1.14 -1.11 0.00 0.00 175.55 173.84 2qqs s GLN 987 N 1.62 4.13 -0.04 -0.62 0.74 -0.43 -1.90 119.66 123.16 2qqs s GLN 987 Ca 0.01 1.19 0.05 0.00 0.05 0.00 0.00 55.36 56.67 2qqs s GLN 987 Cb -0.15 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 2qqs s GLN 987 CO -0.08 -0.82 -0.19 0.14 -0.55 0.00 0.00 175.29 173.79 2qqs s VAL 988 N 3.53 2.64 0.04 1.34 -7.23 0.58 -0.98 120.40 120.32 2qqs s VAL 988 Ca 0.46 -0.89 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 2qqs s VAL 988 Cb -0.14 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2qqs s VAL 988 CO 0.13 0.59 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.65 2qqs s GLU 989 N -0.67 2.15 0.54 4.82 2.12 -0.62 -1.35 118.70 125.69 2qqs s GLU 989 Ca 0.11 -0.95 0.07 0.00 0.36 0.00 0.00 54.97 54.55 2qqs s GLU 989 Cb -0.10 -2.25 0.04 0.00 0.26 0.00 0.00 34.13 32.08 2qqs s GLU 989 CO -0.00 0.55 0.48 -0.06 -0.54 0.00 0.00 175.26 175.69 2qqs s PHE 990 N -0.96 1.70 0.32 5.30 0.40 -0.99 -2.87 117.98 120.88 2qqs s PHE 990 Ca 0.16 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2qqs s PHE 990 Cb -0.11 -2.00 0.89 0.00 0.51 0.00 0.00 43.02 42.31 2qqs s PHE 990 CO 0.06 -0.58 1.59 0.93 0.70 0.00 0.00 175.22 177.92 2qqs h GLU 991 N 0.66 0.04 -0.00 0.44 3.07 -1.92 -0.85 114.58 116.02 2qqs h GLU 991 Ca -0.36 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 2qqs h GLU 991 Cb 1.30 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2qqs h GLU 991 CO 0.54 0.03 -0.12 0.38 -1.40 0.00 0.00 179.01 178.43 2qqs h ASP 992 N 0.04 0.11 0.00 1.42 3.04 -1.98 -3.48 116.42 115.57 2qqs h ASP 992 Ca 0.65 -0.76 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2qqs h ASP 992 Cb 1.45 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.71 2qqs h ASP 992 CO -0.84 0.86 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2qqs n GLY 993 N 0.98 1.90 3.78 7.15 0.00 -0.33 -5.12 105.19 113.55 2qqs n GLY 993 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2qqs n GLY 993 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qqs s SER 994 N -2.00 4.22 -0.12 1.61 1.04 -1.26 -4.85 113.70 112.35 2qqs s SER 994 Ca 0.00 1.40 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 2qqs s SER 994 Cb 0.00 -2.13 0.04 0.00 0.10 0.00 0.00 66.02 64.03 2qqs s SER 994 CO 0.00 -2.15 0.30 -1.10 0.98 0.00 0.00 173.24 171.27 2qqs s GLN 995 N -5.07 0.33 -0.00 4.02 -0.21 -1.26 -2.34 119.66 115.13 2qqs s GLN 995 Ca 0.61 0.48 0.02 0.00 0.02 0.00 0.00 55.36 56.49 2qqs s GLN 995 Cb -0.16 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.95 2qqs s GLN 995 CO 0.55 -0.07 -0.07 -0.51 -2.12 0.00 0.00 175.29 173.07 2qqs s LEU 996 N 0.47 2.02 -0.48 2.90 1.43 -0.46 -4.95 118.68 119.61 2qqs s LEU 996 Ca -0.03 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 2qqs s LEU 996 Cb -0.04 -0.35 0.07 0.00 0.03 0.00 0.00 46.19 45.90 2qqs s LEU 996 CO -0.02 0.08 0.44 -0.69 0.23 0.00 0.00 176.35 176.39 2qqs s VAL 997 N -0.18 5.17 0.51 -1.59 1.01 -1.26 -0.31 120.40 123.75 2qqs s VAL 997 Ca 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.07 2qqs s VAL 997 Cb -0.03 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2qqs s VAL 997 CO -0.00 -0.63 0.27 0.68 0.00 0.00 0.00 175.10 175.42 2qqs s VAL 998 N 1.82 1.67 0.16 2.92 -7.23 -0.80 -4.94 120.40 114.01 2qqs s VAL 998 Ca 0.06 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2qqs s VAL 998 Cb -0.24 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2qqs s VAL 998 CO 0.07 0.00 0.22 2.29 -0.31 0.00 0.00 175.10 177.37 2qqs n LYS 999 N -1.56 0.85 -0.07 4.82 2.85 -1.26 -1.56 118.16 122.23 2qqs n LYS 999 Ca -0.06 -0.83 -0.12 0.00 -1.05 0.00 0.00 58.31 56.25 2qqs n LYS 999 Cb 0.65 -0.07 -0.05 0.00 -0.65 0.00 0.00 35.03 34.90 2qqs n LYS 999 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2qqs h ARG 1000N 0.00 0.45 -0.98 -1.58 9.65 -1.92 -2.82 114.38 117.18 2qqs h ARG 1000Ca -0.07 -0.20 -0.09 0.00 -1.10 0.00 0.00 59.98 58.51 2qqs h ARG 1000Cb 0.34 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 2qqs h ARG 1000CO 0.10 0.74 0.12 -0.25 2.80 0.00 0.00 179.97 183.48 2qqs n ASP 1001N -4.53 2.97 -0.01 -3.80 8.00 -1.26 -0.16 116.55 117.76 2qqs n ASP 1001Ca -0.05 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.13 2qqs n ASP 1001Cb 0.33 -0.57 -0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2qqs n ASP 1001CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qqs n ASP 1002N 0.14 0.31 -4.37 -2.24 8.00 -1.07 -5.06 116.55 112.26 2qqs n ASP 1002Ca 0.12 -0.66 -0.33 0.00 0.71 0.00 0.00 54.79 54.63 2qqs n ASP 1002Cb 0.71 0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 42.38 2qqs n ASP 1002CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qqs s VAL 1003N -0.76 3.10 0.15 2.53 1.01 0.78 -4.32 120.40 122.89 2qqs s VAL 1003Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.45 2qqs s VAL 1003Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2qqs s VAL 1003CO 0.02 0.52 -0.25 -0.31 0.00 0.00 0.00 175.10 175.07 2qqs s TYR 1004N 0.46 2.34 0.00 5.22 1.51 -0.10 -4.94 117.35 121.83 2qqs s TYR 1004Ca -0.09 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 2qqs s TYR 1004Cb -0.16 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 2qqs s TYR 1004CO 0.04 0.39 0.00 2.41 -1.11 0.00 0.00 175.55 177.29 2qqs n THR 1005N 0.70 0.00 -0.40 -0.71 -1.04 -1.26 -1.63 114.28 109.94 2qqs n THR 1005Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2qqs n THR 1005Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2qqs n THR 1005CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61