#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb s PRO 892 N 0.00 1.60 0.23 1.61 0.04 -1.26 -5.09 135.00 132.13 2rqb s PRO 892 Ca 0.00 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.52 2rqb s PRO 892 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2rqb s PRO 892 CO 0.00 -1.92 0.26 1.28 0.04 0.00 0.00 177.00 176.66 2rqb n LEU 893 N -3.61 0.00 0.00 -3.56 7.99 -1.26 -5.17 117.00 111.40 2rqb n LEU 893 Ca 0.07 -2.04 0.00 0.00 -0.01 0.00 0.00 56.01 54.03 2rqb n LEU 893 Cb 0.58 1.42 0.00 0.00 -0.11 0.00 0.00 43.42 45.31 2rqb n LEU 893 CO 0.57 -0.40 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 2rqb n GLY 894 N -0.41 4.41 0.56 -0.72 0.00 -1.26 -4.96 105.19 102.80 2rqb n GLY 894 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rqb n SER 895 N 0.00 0.00 -4.61 1.61 3.41 -1.26 -5.14 113.62 107.63 2rqb n SER 895 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2rqb n SER 895 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2rqb n SER 895 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2rqb s TYR 896 N -0.48 2.12 0.35 7.33 2.02 -1.26 -5.16 117.35 122.27 2rqb s TYR 896 Ca 0.00 -0.88 -0.17 0.00 -0.37 0.00 0.00 57.07 55.65 2rqb s TYR 896 Cb 0.00 -1.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2rqb s TYR 896 CO 0.00 0.24 0.76 0.15 -1.57 0.00 0.00 175.55 175.13 2rqb s LYS 897 N -3.80 2.10 -0.67 -0.62 1.02 -1.26 -4.80 119.74 111.71 2rqb s LYS 897 Ca 0.22 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2rqb s LYS 897 Cb 0.06 0.62 0.00 0.00 -0.52 0.00 0.00 37.83 37.98 2rqb s LYS 897 CO 0.11 -0.97 0.00 -1.71 -0.92 0.00 0.00 175.35 171.86 2rqb n ASN 898 N -1.13 -3.29 -4.16 2.83 4.05 -1.26 -5.02 115.26 107.28 2rqb n ASN 898 Ca -0.07 0.09 -0.29 0.00 0.45 0.00 0.00 54.58 54.76 2rqb n ASN 898 Cb 0.60 -1.94 -0.17 0.00 1.23 0.00 0.00 39.78 39.49 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2rqb s ASN 899 N -2.82 2.61 0.00 1.20 2.47 -1.26 -3.35 114.94 113.78 2rqb s ASN 899 Ca 0.00 -0.46 0.22 0.00 0.42 0.00 0.00 52.86 53.05 2rqb s ASN 899 Cb 0.00 -1.09 1.34 0.00 -1.45 0.00 0.00 41.25 40.05 2rqb s ASN 899 CO 0.00 0.13 1.73 -0.81 -3.72 0.00 0.00 177.10 174.43 2rqb n PRO 900 N 3.50 0.75 0.10 0.43 -0.04 -1.26 -2.38 135.00 136.10 2rqb n PRO 900 Ca -0.20 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.30 2rqb n PRO 900 Cb 0.53 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2rqb n PRO 900 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rqb h SER 901 N 0.00 0.00 0.73 3.54 0.87 -1.94 -1.64 113.55 115.11 2rqb h SER 901 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2rqb h SER 901 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2rqb h SER 901 CO 0.00 0.41 -1.34 0.18 -0.53 0.00 0.00 176.83 175.55 2rqb n LEU 902 N -2.99 0.74 -4.94 2.23 4.77 -1.00 -4.90 117.00 110.91 2rqb n LEU 902 Ca -0.03 0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2rqb n LEU 902 Cb 0.73 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 2rqb n LEU 902 CO 0.41 0.01 -0.07 0.27 -1.33 0.00 0.00 177.39 176.68 2rqb s ILE 903 N -3.14 5.10 0.13 -0.08 -4.36 -1.20 -0.52 121.20 117.12 2rqb s ILE 903 Ca -0.03 -1.05 -0.10 0.00 -0.26 0.00 0.00 60.65 59.21 2rqb s ILE 903 Cb 0.09 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 40.05 2rqb s ILE 903 CO 0.81 -0.31 0.27 -0.89 0.24 0.00 0.00 174.94 175.06 2rqb s THR 904 N -1.99 0.10 -0.12 8.37 2.01 -1.13 -3.60 115.64 119.27 2rqb s THR 904 Ca 0.34 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2rqb s THR 904 Cb -0.09 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2rqb s THR 904 CO 0.28 -0.44 0.07 -0.36 -0.69 0.00 0.00 174.62 173.48 2rqb s PHE 905 N -3.90 3.36 0.39 4.92 0.08 0.98 -2.45 117.98 121.36 2rqb s PHE 905 Ca 0.10 0.30 0.04 0.00 0.12 0.00 0.00 56.93 57.49 2rqb s PHE 905 Cb 0.04 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2rqb s PHE 905 CO -0.06 0.50 0.14 -0.51 -0.10 0.00 0.00 175.22 175.18 2rqb s LEU 906 N -0.64 1.96 -0.26 -0.37 1.43 -0.53 -1.79 118.68 118.48 2rqb s LEU 906 Ca 0.12 -1.65 -0.18 0.00 -1.03 0.00 0.00 54.13 51.38 2rqb s LEU 906 Cb -0.12 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.02 2rqb s LEU 906 CO 0.02 -0.92 0.52 0.00 0.23 0.00 0.00 176.35 176.21 2rqb h LYS 908 N 7.96 -0.68 -0.37 0.00 3.64 -1.12 0.33 116.57 126.32 2rqb h LYS 908 Ca -0.29 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2rqb h LYS 908 Cb 1.14 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 2rqb h LYS 908 CO 0.72 -0.45 -0.55 -0.91 -2.27 0.00 0.00 179.45 175.99 2rqb h ASN 909 N -0.71 -1.81 0.00 4.20 4.21 -1.94 -3.40 115.58 116.13 2rqb h ASN 909 Ca 0.01 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.76 2rqb h ASN 909 Cb 0.74 0.74 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 2rqb h ASN 909 CO -0.32 -0.41 0.00 0.00 -1.29 0.00 0.00 177.43 175.41 2rqb n SER 911 N 0.00 0.00 -4.79 0.00 7.64 0.11 -4.75 113.62 111.84 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2rqb s VAL 912 N 0.00 5.09 -0.38 0.44 -7.23 -1.26 -4.54 120.40 112.52 2rqb s VAL 912 Ca 0.00 0.88 -0.28 0.00 -1.81 0.00 0.00 61.98 60.77 2rqb s VAL 912 Cb 0.00 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2rqb s VAL 912 CO 0.00 0.48 1.99 -0.22 -0.31 0.00 0.00 175.10 177.04 2rqb s LEU 913 N -0.37 3.44 -0.04 1.32 1.98 -1.26 -2.62 118.68 121.13 2rqb s LEU 913 Ca 0.24 1.24 0.00 0.00 -2.89 0.00 0.00 54.13 52.72 2rqb s LEU 913 Cb -0.16 -3.20 -0.26 0.00 0.66 0.00 0.00 46.19 43.23 2rqb s LEU 913 CO 0.12 -2.05 0.68 0.00 -1.89 0.00 0.00 176.35 173.21 2rqb h ALA 914 N 14.70 0.45 -1.23 5.97 0.00 -1.69 -3.49 119.26 133.96 2rqb h ALA 914 Ca -0.33 -1.28 0.31 0.00 0.00 0.00 0.00 54.91 53.62 2rqb h ALA 914 Cb 1.20 0.44 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 2rqb h ALA 914 CO 1.07 1.31 0.91 0.00 0.00 0.00 0.00 179.25 182.53 2rqb s SER 916 N -2.30 5.13 0.18 0.00 0.01 -1.26 -0.01 113.70 115.44 2rqb s SER 916 Ca 0.12 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 56.90 2rqb s SER 916 Cb 0.01 -1.21 0.11 0.00 0.21 0.00 0.00 66.02 65.14 2rqb s SER 916 CO -0.04 0.07 1.62 1.23 0.41 0.00 0.00 173.24 176.53 2rqb h GLY 917 N 2.47 0.06 1.01 3.44 0.00 -1.57 0.44 103.07 108.92 2rqb h GLY 917 Ca -0.47 0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.28 2rqb h GLY 917 CO 0.61 -0.21 0.36 1.05 0.00 0.00 0.00 176.54 178.35 2rqb h GLU 918 N -0.14 0.08 -0.98 4.80 -0.00 -1.58 0.50 114.58 117.26 2rqb h GLU 918 Ca 0.21 -0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.25 2rqb h GLU 918 Cb 0.46 -0.02 -0.19 0.00 -0.00 0.00 0.00 28.75 29.01 2rqb h GLU 918 CO -0.53 0.05 0.40 -3.47 -0.00 0.00 0.00 179.01 175.47 2rqb n ASP 919 N -4.41 3.52 -4.11 3.06 2.03 0.15 -4.85 116.55 111.94 2rqb n ASP 919 Ca 0.09 -3.01 -0.16 0.00 0.52 0.00 0.00 54.79 52.23 2rqb n ASP 919 Cb 0.53 -0.71 -0.12 0.00 -0.72 0.00 0.00 41.12 40.10 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rqb s ILE 920 N -2.13 0.81 0.41 5.18 -1.09 0.18 -4.64 121.20 119.92 2rqb s ILE 920 Ca 0.37 -1.16 0.07 0.00 -2.23 0.00 0.00 60.65 57.70 2rqb s ILE 920 Cb 0.31 -0.82 -0.06 0.00 -1.58 0.00 0.00 42.46 40.31 2rqb s ILE 920 CO 0.07 -0.29 0.15 -1.00 -1.23 0.00 0.00 174.94 172.65 2rqb s HIS 921 N -1.29 2.59 0.06 3.97 3.76 -1.19 -4.73 115.29 118.47 2rqb s HIS 921 Ca -0.06 -0.60 0.06 0.00 -0.15 0.00 0.00 55.06 54.31 2rqb s HIS 921 Cb -0.10 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 2rqb s HIS 921 CO 0.01 0.23 -0.16 0.08 -0.85 0.00 0.00 174.74 174.06 2rqb s VAL 922 N -2.62 1.24 -0.22 -0.90 1.01 -1.26 -3.51 120.40 114.14 2rqb s VAL 922 Ca 0.40 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2rqb s VAL 922 Cb 0.05 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 35.34 2rqb s VAL 922 CO 0.22 -0.08 -0.07 -0.63 0.00 0.00 0.00 175.10 174.53 2rqb s ILE 923 N -1.06 1.60 -1.43 2.22 -1.09 0.63 -0.97 121.20 121.12 2rqb s ILE 923 Ca 0.01 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 2rqb s ILE 923 Cb -0.09 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 2rqb s ILE 923 CO 0.02 0.01 0.00 -0.62 -1.23 0.00 0.00 174.94 173.12 2rqb n GLU 924 N 4.66 -1.42 -1.70 2.79 1.02 -1.26 -0.39 120.64 124.34 2rqb n GLU 924 Ca -0.13 0.80 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 2rqb n GLU 924 Cb 0.45 -5.10 -0.03 0.00 -0.02 0.00 0.00 31.44 26.73 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rqb n LYS 925 N -2.05 -1.60 -0.01 3.49 4.01 -1.26 -4.67 118.16 116.08 2rqb n LYS 925 Ca -0.14 0.62 -0.01 0.00 -0.51 0.00 0.00 58.31 58.27 2rqb n LYS 925 Cb 0.48 -4.96 -0.02 0.00 -0.51 0.00 0.00 35.03 30.02 2rqb n LYS 925 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n MET 926 N -2.09 2.24 -4.68 1.97 0.00 0.47 -5.03 117.12 110.01 2rqb n MET 926 Ca -0.12 0.01 -0.24 0.00 0.00 0.00 0.00 57.70 57.35 2rqb n MET 926 Cb 0.45 -1.06 -0.16 0.00 0.00 0.00 0.00 33.22 32.45 2rqb n MET 926 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2rqb s HIS 927 N -2.06 1.43 -0.43 3.17 3.76 -0.37 -5.01 115.29 115.78 2rqb s HIS 927 Ca -0.02 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 2rqb s HIS 927 Cb 0.01 -0.97 0.05 0.00 1.11 0.00 0.00 32.58 32.77 2rqb s HIS 927 CO 0.08 -0.13 0.31 -1.01 -0.85 0.00 0.00 174.74 173.14 2rqb s HIS 928 N 0.06 3.26 -0.19 1.40 0.09 -1.26 -0.27 115.29 118.38 2rqb s HIS 928 Ca -0.03 -0.91 -0.07 0.00 -0.00 0.00 0.00 55.06 54.05 2rqb s HIS 928 Cb -0.10 -2.80 -0.04 0.00 -0.00 0.00 0.00 32.58 29.64 2rqb s HIS 928 CO 0.01 -0.71 0.06 0.14 -0.00 0.00 0.00 174.74 174.24 2rqb s VAL 929 N 1.61 4.67 -0.65 -0.90 -7.23 -1.23 -3.82 120.40 112.83 2rqb s VAL 929 Ca 0.04 -0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.96 2rqb s VAL 929 Cb -0.21 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.76 2rqb s VAL 929 CO 0.07 0.45 0.68 0.21 -0.31 0.00 0.00 175.10 176.20 2rqb s ASN 930 N 0.52 6.35 -0.10 4.85 2.47 -0.30 -3.17 114.94 125.57 2rqb s ASN 930 Ca 0.03 -1.90 -0.04 0.00 0.42 0.00 0.00 52.86 51.37 2rqb s ASN 930 Cb -0.13 -2.26 -0.13 0.00 -1.45 0.00 0.00 41.25 37.29 2rqb s ASN 930 CO 0.01 -0.90 3.06 0.23 -3.72 0.00 0.00 177.10 175.78 2rqb n MET 931 N 5.42 1.86 -3.89 0.43 2.81 -1.26 -4.06 117.12 118.43 2rqb n MET 931 Ca -0.03 -1.08 -0.36 0.00 -1.81 0.00 0.00 57.70 54.42 2rqb n MET 931 Cb 0.43 -1.81 -0.12 0.00 -0.71 0.00 0.00 33.22 31.02 2rqb n MET 931 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2rqb s THR 932 N 0.01 4.47 0.01 2.03 2.01 -1.26 -4.99 115.64 117.92 2rqb s THR 932 Ca 0.50 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.17 2rqb s THR 932 Cb 0.26 -3.06 -0.22 0.00 0.01 0.00 0.00 72.50 69.50 2rqb s THR 932 CO -0.04 0.39 1.13 1.55 -0.69 0.00 0.00 174.62 176.95 2rqb h PRO 933 N 7.63 0.39 -0.46 4.92 0.13 -2.00 -3.18 132.00 139.43 2rqb h PRO 933 Ca -0.37 -0.38 0.10 0.00 -0.87 0.00 0.00 66.00 64.48 2rqb h PRO 933 Cb 1.18 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2rqb h PRO 933 CO 0.62 1.04 0.32 1.05 -0.23 0.00 0.00 178.00 180.80 2rqb h GLU 934 N -0.11 0.17 0.00 0.86 4.11 -1.98 0.30 114.58 117.93 2rqb h GLU 934 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2rqb h GLU 934 Cb 1.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2rqb h GLU 934 CO 0.10 0.11 -0.03 0.35 0.07 0.00 0.00 179.01 179.62 2rqb h PHE 935 N 0.18 0.00 0.00 2.06 3.57 -1.83 -0.28 116.94 120.64 2rqb h PHE 935 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2rqb h PHE 935 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2rqb h PHE 935 CO -0.00 0.03 0.00 1.57 -2.23 0.00 0.00 178.31 177.68 2rqb h LYS 936 N 0.00 0.00 -0.35 1.11 2.10 -0.50 0.17 116.57 119.10 2rqb h LYS 936 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rqb h LYS 936 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2rqb h LYS 936 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2rqb n GLU 937 N -2.45 2.28 -0.00 0.07 -0.58 -0.12 -4.16 120.64 115.69 2rqb n GLU 937 Ca -0.00 -2.06 0.03 0.00 -0.42 0.00 0.00 57.16 54.71 2rqb n GLU 937 Cb 0.14 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 2rqb n GLU 937 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2rqb n LEU 938 N 1.07 0.28 -4.19 -4.62 4.77 0.50 -5.01 117.00 109.81 2rqb n LEU 938 Ca 0.15 -0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 55.47 2rqb n LEU 938 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 2rqb n LEU 938 CO 0.12 0.07 -0.46 -0.72 -1.33 0.00 0.00 177.39 175.07 2rqb s TYR 939 N -1.60 1.25 -0.01 -1.77 -0.85 -0.64 -3.72 117.35 110.01 2rqb s TYR 939 Ca 0.02 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 2rqb s TYR 939 Cb 0.05 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.68 2rqb s TYR 939 CO 0.25 0.07 -0.16 0.42 -1.52 0.00 0.00 175.55 174.62 2rqb s ILE 940 N -1.49 1.25 -0.19 -3.49 1.01 0.85 -4.82 121.20 114.32 2rqb s ILE 940 Ca 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2rqb s ILE 940 Cb -0.09 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2rqb s ILE 940 CO 0.02 0.35 0.13 -0.69 0.00 0.00 0.00 174.94 174.75 2rqb s VAL 941 N -0.32 5.37 -0.23 2.92 1.01 -1.26 -0.59 120.40 127.29 2rqb s VAL 941 Ca 0.05 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2rqb s VAL 941 Cb -0.07 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2rqb s VAL 941 CO -0.00 0.46 0.07 -0.13 0.00 0.00 0.00 175.10 175.49 2rqb s ARG 942 N 0.21 3.72 -0.57 2.72 3.00 -1.18 -5.00 118.95 121.84 2rqb s ARG 942 Ca 0.08 -0.45 -0.32 0.00 0.00 0.00 0.00 55.73 55.04 2rqb s ARG 942 Cb -0.11 -3.29 -0.14 0.00 0.00 0.00 0.00 34.95 31.41 2rqb s ARG 942 CO -0.01 -0.08 2.38 -1.91 0.00 0.00 0.00 175.30 175.68 2rqb n GLU 943 N 4.61 0.70 -3.66 3.54 2.13 -1.26 -4.19 120.64 122.51 2rqb n GLU 943 Ca -0.16 0.12 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2rqb n GLU 943 Cb 0.52 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.77 2rqb n GLU 943 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2rqb s ASN 944 N 8.90 -0.81 0.00 4.31 2.47 -1.26 -5.01 114.94 123.53 2rqb s ASN 944 Ca 1.15 1.33 0.23 0.00 0.42 0.00 0.00 52.86 55.98 2rqb s ASN 944 Cb -0.84 1.21 0.10 0.00 -1.45 0.00 0.00 41.25 40.26 2rqb s ASN 944 CO 0.45 -0.23 1.13 2.29 -3.72 0.00 0.00 177.10 177.02 2rqb n LYS 945 N 4.22 0.37 0.11 0.43 2.85 -1.26 -3.99 118.16 120.89 2rqb n LYS 945 Ca -0.21 -0.28 0.09 0.00 -1.05 0.00 0.00 58.31 56.86 2rqb n LYS 945 Cb 0.58 -1.49 0.44 0.00 -0.65 0.00 0.00 35.03 33.90 2rqb n LYS 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rqb n ALA 946 N -1.07 1.22 -0.51 0.58 0.00 -1.26 -3.60 120.51 115.86 2rqb n ALA 946 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2rqb n ALA 946 Cb 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2rqb n ALA 946 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rqb n LEU 947 N -2.06 0.00 -4.56 0.00 7.99 -1.26 -5.02 117.00 112.09 2rqb n LEU 947 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 2rqb n LEU 947 Cb 0.08 -0.21 0.17 0.00 -0.11 0.00 0.00 43.42 43.35 2rqb n LEU 947 CO 0.10 -0.24 0.40 0.00 -1.51 0.00 0.00 177.39 176.14 2rqb n GLN 948 N -1.95 -0.68 -3.33 3.23 -0.00 -1.24 -5.01 117.38 108.40 2rqb n GLN 948 Ca 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.00 56.76 2rqb n GLN 948 Cb 0.00 -2.19 -0.07 0.00 -0.00 0.00 0.00 30.24 27.98 2rqb n GLN 948 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2rqb s LYS 949 N -4.30 0.39 0.05 2.61 1.02 -1.26 -4.80 119.74 113.45 2rqb s LYS 949 Ca 0.64 0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.70 2rqb s LYS 949 Cb -0.22 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 2rqb s LYS 949 CO 0.62 -0.96 1.18 0.87 -0.92 0.00 0.00 175.35 176.14 2rqb h LYS 950 N 8.18 -0.00 -5.37 1.68 1.79 -1.94 -3.26 116.57 117.65 2rqb h LYS 950 Ca -0.11 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.15 2rqb h LYS 950 Cb 1.12 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2rqb h LYS 950 CO 0.28 -0.00 0.83 0.00 -1.08 0.00 0.00 179.45 179.48 2rqb n ALA 952 N 16.03 0.00 -0.08 0.00 0.00 -1.23 -5.03 120.51 130.19 2rqb n ALA 952 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 2rqb n ALA 952 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 2rqb n ALA 952 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rqb n ASP 953 N 0.40 1.55 -4.20 0.00 4.64 -1.26 -4.81 116.55 112.87 2rqb n ASP 953 Ca 0.00 -0.03 -0.41 0.00 -1.38 0.00 0.00 54.79 52.97 2rqb n ASP 953 Cb 0.00 0.56 -0.07 0.00 -1.04 0.00 0.00 41.12 40.57 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2rqb s TYR 954 N -2.38 3.52 0.14 -0.67 2.02 -1.26 -4.84 117.35 113.88 2rqb s TYR 954 Ca -0.13 -2.24 -0.31 0.00 -0.37 0.00 0.00 57.07 54.02 2rqb s TYR 954 Cb 0.05 -3.47 -0.09 0.00 -0.40 0.00 0.00 41.96 38.05 2rqb s TYR 954 CO 0.58 -0.93 1.44 -1.14 -1.57 0.00 0.00 175.55 173.93 2rqb s GLN 955 N 0.47 4.29 0.23 -0.62 2.00 -1.15 -4.69 119.66 120.18 2rqb s GLN 955 Ca 0.13 2.17 0.08 0.00 -2.00 0.00 0.00 55.36 55.75 2rqb s GLN 955 Cb -0.19 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 2rqb s GLN 955 CO -0.04 -0.47 0.03 0.42 -0.50 0.00 0.00 175.29 174.72 2rqb s ILE 956 N 0.99 3.72 -0.13 -2.34 -1.09 -1.26 0.19 121.20 121.28 2rqb s ILE 956 Ca 0.65 -1.64 0.19 0.00 -2.23 0.00 0.00 60.65 57.62 2rqb s ILE 956 Cb -0.39 -2.94 -0.23 0.00 -1.58 0.00 0.00 42.46 37.31 2rqb s ILE 956 CO 0.32 -0.27 0.45 0.59 -1.23 0.00 0.00 174.94 174.80 2rqb n ASN 957 N -0.63 0.30 0.00 3.58 5.03 -0.15 -4.69 115.26 118.70 2rqb n ASN 957 Ca -0.08 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.50 2rqb n ASN 957 Cb 0.57 0.98 0.00 0.00 -1.02 0.00 0.00 39.78 40.31 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rqb n GLY 958 N 1.49 -0.28 3.11 7.41 0.00 -1.26 -4.58 105.19 111.08 2rqb n GLY 958 Ca -0.17 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2rqb n GLY 958 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqb s GLU 959 N -1.51 2.76 0.09 1.61 2.12 -1.26 -3.19 118.70 119.32 2rqb s GLU 959 Ca 0.00 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 2rqb s GLU 959 Cb 0.00 -2.34 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 2rqb s GLU 959 CO 0.00 -0.13 0.93 0.96 -0.54 0.00 0.00 175.26 176.49 2rqb s ILE 960 N 1.13 4.57 -0.01 -3.70 -4.36 -1.21 -3.12 121.20 114.49 2rqb s ILE 960 Ca -0.01 2.01 0.02 0.00 -0.26 0.00 0.00 60.65 62.41 2rqb s ILE 960 Cb -0.14 -4.29 -0.01 0.00 1.25 0.00 0.00 42.46 39.27 2rqb s ILE 960 CO -0.07 0.31 -0.07 0.27 0.24 0.00 0.00 174.94 175.61 2rqb s ILE 961 N 0.08 0.58 0.61 8.37 -4.36 0.24 0.12 121.20 126.84 2rqb s ILE 961 Ca 0.46 -0.31 -0.10 0.00 -0.26 0.00 0.00 60.65 60.44 2rqb s ILE 961 Cb -0.23 -0.49 0.15 0.00 1.25 0.00 0.00 42.46 43.14 2rqb s ILE 961 CO 0.29 0.17 0.35 0.00 0.24 0.00 0.00 174.94 175.98 2rqb h LYS 963 N 0.00 0.08 -0.35 0.00 1.79 -1.91 -1.89 116.57 114.28 2rqb h LYS 963 Ca -0.16 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.36 2rqb h LYS 963 Cb 0.53 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2rqb h LYS 963 CO 0.09 0.22 0.24 0.00 -1.08 0.00 0.00 179.45 178.92 2rqb n GLY 965 N -1.54 0.95 3.50 0.00 0.00 -0.71 -5.11 105.19 102.28 2rqb n GLY 965 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2rqb n GLY 965 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqb s GLN 966 N 0.10 3.62 -0.80 1.61 2.00 -1.26 -4.74 119.66 120.19 2rqb s GLN 966 Ca 0.00 -0.53 -0.23 0.00 -2.00 0.00 0.00 55.36 52.60 2rqb s GLN 966 Cb 0.00 -3.57 -0.18 0.00 0.80 0.00 0.00 33.01 30.06 2rqb s GLN 966 CO 0.00 -0.29 2.42 0.00 -0.50 0.00 0.00 175.29 176.91 2rqb n ALA 967 N 5.01 0.63 0.10 1.58 0.00 -1.26 -0.66 120.51 125.91 2rqb n ALA 967 Ca -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.38 2rqb n ALA 967 Cb 0.51 -2.84 0.23 0.00 0.00 0.00 0.00 19.45 17.34 2rqb n ALA 967 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2rqb h TRP 968 N 14.04 0.26 0.00 0.00 6.55 -0.65 -3.43 115.95 132.73 2rqb h TRP 968 Ca -0.07 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2rqb h TRP 968 Cb 1.17 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.41 2rqb h TRP 968 CO 1.14 0.60 0.00 0.41 -1.05 0.00 0.00 178.44 179.55 2rqb n GLY 969 N -0.21 -0.62 3.39 1.49 0.00 -1.11 0.82 105.19 108.97 2rqb n GLY 969 Ca -0.01 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 2rqb n GLY 969 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rqb s THR 970 N 0.00 0.03 -0.67 2.61 -4.23 0.90 -3.36 115.64 110.91 2rqb s THR 970 Ca 0.00 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.14 2rqb s THR 970 Cb 0.00 -1.02 0.17 0.00 1.34 0.00 0.00 72.50 72.99 2rqb s THR 970 CO 0.00 -0.12 0.62 -0.32 -0.54 0.00 0.00 174.62 174.26 2rqb s MET 971 N -3.00 3.26 0.35 3.99 1.75 -1.19 0.36 119.30 124.82 2rqb s MET 971 Ca -0.02 -2.07 -0.21 0.00 -1.25 0.00 0.00 55.69 52.14 2rqb s MET 971 Cb -0.00 -4.35 -0.10 0.00 2.84 0.00 0.00 34.83 33.22 2rqb s MET 971 CO -0.06 -1.31 0.87 -1.64 -0.65 0.00 0.00 175.02 172.23 2rqb s MET 972 N 0.92 4.28 0.03 4.11 -1.94 -0.17 -0.98 119.30 125.55 2rqb s MET 972 Ca 0.10 1.05 0.06 0.00 -1.71 0.00 0.00 55.69 55.19 2rqb s MET 972 Cb -0.21 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.11 2rqb s MET 972 CO -0.03 0.15 -0.19 0.08 -0.01 0.00 0.00 175.02 175.03 2rqb s VAL 973 N -1.89 1.52 -0.26 -6.03 1.01 0.51 -0.47 120.40 114.79 2rqb s VAL 973 Ca 0.54 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2rqb s VAL 973 Cb -0.13 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.02 2rqb s VAL 973 CO 0.18 0.24 0.06 -2.28 0.00 0.00 0.00 175.10 173.30 2rqb s HIS 974 N -0.69 1.48 -1.11 5.22 5.04 -1.10 -2.93 115.29 121.20 2rqb s HIS 974 Ca 0.07 -1.38 0.00 0.00 -1.54 0.00 0.00 55.06 52.20 2rqb s HIS 974 Cb -0.08 -1.42 0.00 0.00 0.04 0.00 0.00 32.58 31.12 2rqb s HIS 974 CO 0.01 -0.77 0.00 1.63 -2.34 0.00 0.00 174.74 173.27 2rqb n LYS 975 N 4.92 -1.56 0.00 2.88 4.76 -1.26 -0.11 118.16 127.78 2rqb n LYS 975 Ca -0.06 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2rqb n LYS 975 Cb 0.44 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.44 2rqb n LYS 975 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2rqb n GLY 976 N -0.03 0.92 3.88 0.72 0.00 -1.26 -5.07 105.19 104.34 2rqb n GLY 976 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2rqb n GLY 976 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqb s LEU 977 N 0.00 2.72 -0.28 0.99 2.96 0.84 -5.05 118.68 120.86 2rqb s LEU 977 Ca 0.00 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 2rqb s LEU 977 Cb 0.00 -3.72 0.04 0.00 0.50 0.00 0.00 46.19 43.01 2rqb s LEU 977 CO 0.00 -1.61 -0.02 -1.81 -1.32 0.00 0.00 176.35 171.59 2rqb s ASP 978 N -4.37 4.69 -0.33 3.68 -0.00 -1.26 -2.69 116.67 116.39 2rqb s ASP 978 Ca 0.60 -1.07 -0.01 0.00 -0.00 0.00 0.00 52.55 52.06 2rqb s ASP 978 Cb -0.11 -1.71 0.11 0.00 -0.00 0.00 0.00 42.92 41.21 2rqb s ASP 978 CO 0.51 -0.21 0.15 -0.76 -0.00 0.00 0.00 175.17 174.87 2rqb s LEU 979 N 1.30 1.54 -0.25 1.23 1.02 0.38 -4.88 118.68 119.01 2rqb s LEU 979 Ca -0.03 -1.80 -0.29 0.00 0.02 0.00 0.00 54.13 52.04 2rqb s LEU 979 Cb -0.18 -0.64 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 2rqb s LEU 979 CO -0.02 -0.38 1.32 -2.16 0.02 0.00 0.00 176.35 175.14 2rqb s PRO 980 N 1.46 4.00 -0.47 1.29 0.04 -1.26 -1.00 135.00 139.06 2rqb s PRO 980 Ca 0.12 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2rqb s PRO 980 Cb -0.19 -3.86 0.06 0.00 0.04 0.00 0.00 34.50 30.54 2rqb s PRO 980 CO -0.19 -1.02 0.45 0.00 0.04 0.00 0.00 177.00 176.28 2rqb s LEU 982 N 1.96 2.97 -0.09 0.00 1.02 -1.25 -0.07 118.68 123.23 2rqb s LEU 982 Ca 0.08 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.55 2rqb s LEU 982 Cb -0.21 -3.05 0.02 0.00 0.02 0.00 0.00 46.19 42.97 2rqb s LEU 982 CO 0.09 -1.43 -0.06 -0.54 0.02 0.00 0.00 176.35 174.43 2rqb s LYS 983 N -5.09 1.28 0.58 1.70 1.02 0.24 -4.86 119.74 114.61 2rqb s LYS 983 Ca 0.59 -0.19 0.37 0.00 0.02 0.00 0.00 55.97 56.76 2rqb s LYS 983 Cb -0.11 -1.33 2.00 0.00 -0.52 0.00 0.00 37.83 37.87 2rqb s LYS 983 CO 0.43 -0.20 2.12 0.82 -0.92 0.00 0.00 175.35 177.60 2rqb h ILE 984 N 6.17 0.00 0.00 2.17 2.04 -1.84 0.44 117.51 126.50 2rqb h ILE 984 Ca -0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2rqb h ILE 984 Cb 1.14 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2rqb h ILE 984 CO 0.40 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.44 2rqb n ARG 985 N -2.84 0.27 0.00 2.37 1.85 0.11 -2.01 116.66 116.42 2rqb n ARG 985 Ca -0.02 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2rqb n ARG 985 Cb 0.11 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 2rqb n ARG 985 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rqb n ASN 986 N -1.29 0.71 -3.60 2.89 3.02 0.15 -5.00 115.26 112.16 2rqb n ASN 986 Ca 0.09 -0.99 -0.20 0.00 -0.03 0.00 0.00 54.58 53.45 2rqb n ASN 986 Cb 0.15 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 2rqb n ASN 986 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2rqb n PHE 987 N -0.01 0.62 -4.12 3.10 3.01 -0.85 -0.67 117.46 118.53 2rqb n PHE 987 Ca 0.00 -1.66 -0.08 0.00 1.01 0.00 0.00 57.45 56.72 2rqb n PHE 987 Cb 0.07 -0.17 -0.10 0.00 -0.01 0.00 0.00 39.48 39.27 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rqb s VAL 988 N -2.28 0.17 -0.14 -4.37 1.01 -0.62 -4.47 120.40 109.69 2rqb s VAL 988 Ca 0.03 -1.86 0.02 0.00 0.00 0.00 0.00 61.98 60.16 2rqb s VAL 988 Cb 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2rqb s VAL 988 CO 0.02 -0.72 -0.19 -0.69 0.00 0.00 0.00 175.10 173.52 2rqb s VAL 989 N -3.98 1.89 -0.27 2.92 1.01 -0.45 -1.46 120.40 120.07 2rqb s VAL 989 Ca 0.16 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2rqb s VAL 989 Cb 0.08 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2rqb s VAL 989 CO -0.04 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2rqb s VAL 990 N 1.01 3.12 -0.27 2.92 1.01 -1.03 -0.19 120.40 126.97 2rqb s VAL 990 Ca -0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 2rqb s VAL 990 Cb -0.15 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 2rqb s VAL 990 CO -0.05 0.13 0.85 -0.36 0.00 0.00 0.00 175.10 175.67 2rqb s PHE 991 N 1.35 3.26 -0.96 5.22 0.08 0.20 -2.83 117.98 124.30 2rqb s PHE 991 Ca -0.00 1.04 0.26 0.00 0.12 0.00 0.00 56.93 58.35 2rqb s PHE 991 Cb -0.17 -3.18 0.75 0.00 -0.57 0.00 0.00 43.02 39.85 2rqb s PHE 991 CO -0.03 -0.50 1.60 1.17 -0.10 0.00 0.00 175.22 177.36 2rqb n LYS 992 N 6.17 0.04 -0.14 0.44 4.81 0.32 -2.04 118.16 127.76 2rqb n LYS 992 Ca 0.06 0.02 -0.29 0.00 -0.87 0.00 0.00 58.31 57.22 2rqb n LYS 992 Cb 0.48 -1.53 -0.10 0.00 0.02 0.00 0.00 35.03 33.90 2rqb n LYS 992 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rqb n ASN 993 N -1.59 1.96 0.00 3.14 5.03 -1.26 -4.28 115.26 118.26 2rqb n ASN 993 Ca 0.06 0.34 0.12 0.00 0.87 0.00 0.00 54.58 55.96 2rqb n ASN 993 Cb 0.35 -0.82 0.63 0.00 -1.02 0.00 0.00 39.78 38.93 2rqb n ASN 993 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2rqb n ASN 994 N -4.26 0.00 -3.89 6.41 5.15 -1.26 -4.42 115.26 113.00 2rqb n ASN 994 Ca -0.54 -0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 52.82 2rqb n ASN 994 Cb 0.88 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.96 2rqb n ASN 994 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2rqb n SER 995 N -1.17 -2.18 -3.45 1.20 3.41 -0.89 -4.95 113.62 105.59 2rqb n SER 995 Ca 0.14 -1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 2rqb n SER 995 Cb 0.14 -3.00 -0.01 0.00 -0.26 0.00 0.00 64.21 61.09 2rqb n SER 995 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rqb s THR 996 N -3.78 0.00 -0.11 6.66 2.01 -0.87 -5.02 115.64 114.54 2rqb s THR 996 Ca 0.19 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 2rqb s THR 996 Cb -0.08 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2rqb s THR 996 CO 0.89 0.00 -0.01 -0.75 -0.69 0.00 0.00 174.62 174.06 2rqb s LYS 997 N -3.22 0.80 0.22 4.92 2.20 -1.26 0.61 119.74 124.00 2rqb s LYS 997 Ca 0.17 -0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.76 2rqb s LYS 997 Cb -0.04 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 2rqb s LYS 997 CO 0.10 -0.38 0.11 0.15 -0.36 0.00 0.00 175.35 174.98 2rqb s LYS 998 N 1.89 2.71 -0.26 4.03 3.01 0.73 -4.99 119.74 126.87 2rqb s LYS 998 Ca 0.04 -1.08 0.02 0.00 -1.01 0.00 0.00 55.97 53.93 2rqb s LYS 998 Cb -0.13 -2.47 0.07 0.00 -1.01 0.00 0.00 37.83 34.28 2rqb s LYS 998 CO -0.06 0.43 -0.04 -1.14 0.51 0.00 0.00 175.35 175.04 2rqb s GLN 999 N -3.44 1.68 0.10 1.68 0.74 -1.26 -1.34 119.66 117.82 2rqb s GLN 999 Ca 0.31 -1.20 0.01 0.00 0.05 0.00 0.00 55.36 54.53 2rqb s GLN 999 Cb -0.08 -2.70 0.02 0.00 1.10 0.00 0.00 33.01 31.34 2rqb s GLN 999 CO 0.22 -0.67 0.14 0.66 -0.55 0.00 0.00 175.29 175.10 2rqb n TYR 1000N 4.57 -2.95 0.00 1.67 4.02 -1.26 -5.04 117.16 118.17 2rqb n TYR 1000Ca -0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 2rqb n TYR 1000Cb 0.43 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 1001N -1.23 0.00 -4.41 -0.72 2.85 -1.26 -4.21 118.16 109.19 2rqb n LYS 1001Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.03 2rqb n LYS 1001Cb 0.10 -0.45 -0.11 0.00 -0.65 0.00 0.00 35.03 33.92 2rqb n LYS 1001CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2rqb s LYS 1002N -1.91 1.66 0.45 -1.58 3.01 -1.26 0.07 119.74 120.18 2rqb s LYS 1002Ca 0.00 -1.54 0.21 0.00 -1.01 0.00 0.00 55.97 53.63 2rqb s LYS 1002Cb 0.00 -1.88 1.06 0.00 -1.01 0.00 0.00 37.83 36.00 2rqb s LYS 1002CO 0.00 0.39 1.92 -1.49 0.51 0.00 0.00 175.35 176.68 2rqb h TRP 1003N 2.90 0.00 -0.16 3.18 4.06 -1.96 -1.64 115.95 122.33 2rqb h TRP 1003Ca -0.45 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.48 2rqb h TRP 1003Cb 1.22 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2rqb h TRP 1003CO 0.71 0.24 0.02 -0.24 -3.56 0.00 0.00 178.44 175.61 2rqb h VAL 1004N 0.00 1.10 0.00 1.49 3.04 -1.97 0.57 116.25 120.48 2rqb h VAL 1004Ca -0.00 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2rqb h VAL 1004Cb 0.56 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2rqb h VAL 1004CO 0.03 0.12 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.26 2rqb h GLU 1005N 0.23 0.00 -6.13 4.17 4.39 -1.71 -3.42 114.58 112.11 2rqb h GLU 1005Ca 0.06 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.18 2rqb h GLU 1005Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2rqb h GLU 1005CO -0.00 0.12 1.37 -1.17 -1.16 0.00 0.00 179.01 178.17 2rqb s LEU 1006N -6.72 3.68 0.00 1.33 2.96 0.19 -4.81 118.68 115.31 2rqb s LEU 1006Ca -0.01 1.92 0.23 0.00 -0.22 0.00 0.00 54.13 56.05 2rqb s LEU 1006Cb 0.11 -3.52 1.19 0.00 0.50 0.00 0.00 46.19 44.47 2rqb s LEU 1006CO 0.58 -1.68 1.75 -0.81 -1.32 0.00 0.00 176.35 174.86 2rqb n PRO 1007N 8.37 0.39 -3.13 0.98 -0.04 -1.26 -4.73 135.00 135.59 2rqb n PRO 1007Ca 0.26 0.06 -0.39 0.00 -0.04 0.00 0.00 63.50 63.39 2rqb n PRO 1007Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 2rqb n PRO 1007CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rqb s ILE 1008N -2.47 4.87 0.45 0.52 1.09 -1.26 -4.85 121.20 119.53 2rqb s ILE 1008Ca 0.24 1.37 -0.23 0.00 -1.10 0.00 0.00 60.65 60.93 2rqb s ILE 1008Cb 0.15 -3.99 -0.08 0.00 -1.06 0.00 0.00 42.46 37.48 2rqb s ILE 1008CO 0.33 0.39 1.13 0.28 -0.10 0.00 0.00 174.94 176.97 2rqb s THR 1009N -0.06 3.27 0.29 2.92 -1.32 -1.21 -4.94 115.64 114.59 2rqb s THR 1009Ca 0.34 0.95 0.07 0.00 -1.21 0.00 0.00 61.69 61.84 2rqb s THR 1009Cb -0.19 -3.48 -0.06 0.00 -1.51 0.00 0.00 72.50 67.26 2rqb s THR 1009CO 0.19 -0.01 -0.06 -0.36 -2.21 0.00 0.00 174.62 172.17 2rqb s PHE 1010N -1.58 2.03 0.00 9.09 0.40 -1.26 -4.28 117.98 122.39 2rqb s PHE 1010Ca 0.62 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2rqb s PHE 1010Cb -0.27 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.08 2rqb s PHE 1010CO 0.33 0.31 0.00 -0.35 0.70 0.00 0.00 175.22 176.21 2rqb n PRO 1011N -0.63 0.45 -3.38 0.24 -0.04 -1.26 -5.05 135.00 125.33 2rqb n PRO 1011Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2rqb n PRO 1011Cb 0.64 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.01 2rqb n PRO 1011CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rqb s ASN 1012N -1.25 0.86 -0.17 3.54 -0.87 -1.26 -4.40 114.94 111.39 2rqb s ASN 1012Ca 0.00 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 2rqb s ASN 1012Cb 0.00 0.82 0.01 0.00 -0.02 0.00 0.00 41.25 42.05 2rqb s ASN 1012CO 0.00 -0.34 -0.17 -0.22 -2.57 0.00 0.00 177.10 173.80 2rqb s LEU 1013N 2.46 2.35 0.46 0.60 0.20 -0.14 -4.91 118.68 119.71 2rqb s LEU 1013Ca 0.10 -0.54 0.07 0.00 0.69 0.00 0.00 54.13 54.45 2rqb s LEU 1013Cb -0.14 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2rqb s LEU 1013CO -0.23 0.05 0.33 -0.62 -0.29 0.00 0.00 176.35 175.59 2rqb s ASP 1014N 1.02 4.71 -0.12 3.68 2.15 -1.26 -4.04 116.67 122.81 2rqb s ASP 1014Ca -0.01 -1.04 -0.10 0.00 0.43 0.00 0.00 52.55 51.83 2rqb s ASP 1014Cb -0.15 -0.16 -0.26 0.00 -0.30 0.00 0.00 42.92 42.05 2rqb s ASP 1014CO -0.04 -0.80 0.40 1.88 -0.17 0.00 0.00 175.17 176.44 2rqb h TYR 1015N 1.04 0.45 -1.60 -5.34 0.05 -1.95 -3.35 116.97 106.27 2rqb h TYR 1015Ca -0.40 -0.33 0.46 0.00 0.05 0.00 0.00 58.73 58.52 2rqb h TYR 1015Cb 1.28 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.93 2rqb h TYR 1015CO 0.73 1.71 1.28 1.03 -1.05 0.00 0.00 178.16 181.86 2rqb h SER 1016N -0.11 0.00 -0.22 3.88 0.87 -2.05 1.21 113.55 117.12 2rqb h SER 1016Ca -0.39 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2rqb h SER 1016Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.85 2rqb h SER 1016CO 0.06 0.00 0.09 -0.33 -0.53 0.00 0.00 176.83 176.11 2rqb h GLU 1017N 0.00 0.19 -6.12 2.24 4.39 -2.01 -3.40 114.58 109.87 2rqb h GLU 1017Ca 0.76 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.87 2rqb h GLU 1017Cb 3.31 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 31.87 2rqb h GLU 1017CO -0.01 0.13 -0.08 0.00 -1.16 0.00 0.00 179.01 177.89 2rqb h LEU 1020N 1.73 0.79 -1.78 0.00 3.38 -1.94 -2.83 115.31 114.67 2rqb h LEU 1020Ca -0.01 -0.27 0.52 0.00 0.09 0.00 0.00 57.88 58.21 2rqb h LEU 1020Cb 1.44 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 2rqb h LEU 1020CO 0.26 0.97 1.31 0.49 0.09 0.00 0.00 178.44 181.55 2rqb n PHE 1021N -4.13 0.00 -1.56 1.13 3.72 -1.26 -4.14 117.46 111.22 2rqb n PHE 1021Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2rqb n PHE 1021Cb 0.41 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqb n SER 1022N -3.73 2.50 -0.06 4.37 2.88 -1.07 -4.68 113.62 113.83 2rqb n SER 1022Ca 0.40 -0.30 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 2rqb n SER 1022Cb 1.84 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.67 2rqb n SER 1022CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2rqb n ASP 1023N 14.66 2.67 -3.95 -3.46 5.68 -1.26 -5.03 116.55 125.85 2rqb n ASP 1023Ca 0.36 -0.03 -0.36 0.00 -0.50 0.00 0.00 54.79 54.27 2rqb n ASP 1023Cb 0.50 0.37 0.04 0.00 -1.14 0.00 0.00 41.12 40.90 2rqb n ASP 1023CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2rqb n GLU 1024N -2.58 0.00 0.00 0.11 4.71 -1.26 -5.27 120.64 116.35 2rqb n GLU 1024Ca -0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.08 2rqb n GLU 1024Cb 0.80 -0.98 0.10 0.00 -1.01 0.00 0.00 31.44 30.35 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82