#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb n PRO 892 N 0.00 0.46 0.00 1.61 -0.04 -1.26 -5.08 135.00 130.69 2rqb n PRO 892 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2rqb n PRO 892 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2rqb n PRO 892 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2rqb n LEU 893 N 0.00 0.00 0.00 1.53 7.99 -1.26 -5.16 117.00 120.10 2rqb n LEU 893 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2rqb n LEU 893 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2rqb n LEU 893 CO 0.00 -0.28 0.00 0.61 -1.51 0.00 0.00 177.39 176.21 2rqb n GLY 894 N 2.26 3.40 3.61 -0.72 0.00 -1.26 -5.20 105.19 107.28 2rqb n GLY 894 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2rqb n GLY 894 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rqb s SER 895 N 0.00 -0.09 0.78 1.61 0.15 -1.26 -5.17 113.70 109.71 2rqb s SER 895 Ca 0.00 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 2rqb s SER 895 Cb 0.00 0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 2rqb s SER 895 CO 0.00 -0.25 1.14 -0.31 1.20 0.00 0.00 173.24 175.02 2rqb s TYR 896 N -2.40 3.06 -0.04 3.44 2.02 -1.26 -5.00 117.35 117.16 2rqb s TYR 896 Ca 0.12 0.89 0.09 0.00 -0.37 0.00 0.00 57.07 57.80 2rqb s TYR 896 Cb 0.02 -3.31 0.17 0.00 -0.40 0.00 0.00 41.96 38.43 2rqb s TYR 896 CO -0.04 -1.59 1.08 1.63 -1.57 0.00 0.00 175.55 175.06 2rqb n LYS 897 N -3.23 0.37 -0.58 -0.62 5.02 -1.26 -4.77 118.16 113.09 2rqb n LYS 897 Ca 0.07 -1.66 0.01 0.00 -2.02 0.00 0.00 58.31 54.71 2rqb n LYS 897 Cb 0.59 -0.69 0.22 0.00 -0.02 0.00 0.00 35.03 35.13 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rqb n ASN 898 N -0.28 3.79 -4.45 4.39 2.85 -1.26 -4.72 115.26 115.57 2rqb n ASN 898 Ca 0.06 -2.64 -0.34 0.00 -0.11 0.00 0.00 54.58 51.55 2rqb n ASN 898 Cb 0.77 -0.63 -0.13 0.00 1.24 0.00 0.00 39.78 41.03 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rqb s ASN 899 N -0.45 4.66 0.00 1.20 2.47 -1.26 -3.32 114.94 118.24 2rqb s ASN 899 Ca 0.33 -0.19 0.23 0.00 0.42 0.00 0.00 52.86 53.65 2rqb s ASN 899 Cb 0.26 -1.77 1.39 0.00 -1.45 0.00 0.00 41.25 39.68 2rqb s ASN 899 CO 0.09 0.13 1.77 -0.81 -3.72 0.00 0.00 177.10 174.56 2rqb n PRO 900 N 3.80 0.75 0.10 0.43 -0.04 -1.26 -2.40 135.00 136.38 2rqb n PRO 900 Ca -0.17 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 2rqb n PRO 900 Cb 0.52 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.74 3.54 0.87 -1.93 -1.95 113.55 114.82 2rqb h SER 901 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2rqb h SER 901 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2rqb h SER 901 CO 0.00 0.45 -1.38 -0.07 -0.53 0.00 0.00 176.83 175.31 2rqb h LEU 902 N 0.00 0.00-10.14 2.23 3.38 -1.86 -3.47 115.31 105.45 2rqb h LEU 902 Ca -0.06 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.41 2rqb h LEU 902 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2rqb h LEU 902 CO 0.05 0.64 -0.33 0.27 0.09 0.00 0.00 178.44 179.15 2rqb s ILE 903 N -2.88 5.20 0.15 1.22 -4.36 -1.21 0.12 121.20 119.45 2rqb s ILE 903 Ca -0.03 -0.58 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 2rqb s ILE 903 Cb 0.09 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 40.00 2rqb s ILE 903 CO 0.81 -0.31 0.32 -0.89 0.24 0.00 0.00 174.94 175.11 2rqb s THR 904 N -2.00 0.07 -0.14 8.37 2.01 -1.19 -3.60 115.64 119.16 2rqb s THR 904 Ca 0.37 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2rqb s THR 904 Cb -0.10 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2rqb s THR 904 CO 0.31 -0.34 0.13 -0.36 -0.69 0.00 0.00 174.62 173.67 2rqb s PHE 905 N -3.92 3.51 0.09 4.92 0.08 0.12 -2.93 117.98 119.85 2rqb s PHE 905 Ca 0.12 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.63 2rqb s PHE 905 Cb 0.03 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2rqb s PHE 905 CO -0.04 0.57 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.07 2rqb s LEU 906 N -0.55 2.47 -0.14 -0.37 1.43 0.06 -1.76 118.68 119.82 2rqb s LEU 906 Ca 0.12 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 52.00 2rqb s LEU 906 Cb -0.12 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.97 2rqb s LEU 906 CO 0.02 -0.41 1.24 0.00 0.23 0.00 0.00 176.35 177.43 2rqb h LYS 908 N 7.97 -0.82 -0.63 0.00 3.64 -1.18 0.42 116.57 125.98 2rqb h LYS 908 Ca -0.28 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 2rqb h LYS 908 Cb 1.12 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 908 CO 0.95 -0.55 -0.53 -0.91 -2.27 0.00 0.00 179.45 176.14 2rqb h ASN 909 N -0.85 -1.84 0.00 4.20 4.21 -1.92 -3.40 115.58 115.98 2rqb h ASN 909 Ca -0.03 0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2rqb h ASN 909 Cb 0.80 0.80 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 2rqb h ASN 909 CO -0.20 -0.34 0.00 0.00 -1.29 0.00 0.00 177.43 175.60 2rqb n SER 911 N 0.00 0.00 -4.79 0.00 3.41 0.14 -4.78 113.62 107.60 2rqb n SER 911 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2rqb s VAL 912 N 0.00 5.20 -0.34 -3.33 -7.23 -1.26 -4.57 120.40 108.88 2rqb s VAL 912 Ca 0.00 0.67 -0.28 0.00 -1.81 0.00 0.00 61.98 60.56 2rqb s VAL 912 Cb 0.00 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 2rqb s VAL 912 CO 0.00 0.49 1.96 -0.22 -0.31 0.00 0.00 175.10 177.02 2rqb s LEU 913 N -0.36 3.46 -0.06 1.32 1.98 -1.26 -2.30 118.68 121.46 2rqb s LEU 913 Ca 0.20 1.36 0.02 0.00 -2.89 0.00 0.00 54.13 52.83 2rqb s LEU 913 Cb -0.15 -3.36 -0.25 0.00 0.66 0.00 0.00 46.19 43.10 2rqb s LEU 913 CO 0.09 -1.92 0.59 0.00 -1.89 0.00 0.00 176.35 173.22 2rqb h ALA 914 N 14.11 0.55 -1.52 5.97 0.00 -1.71 -3.49 119.26 133.17 2rqb h ALA 914 Ca -0.34 -1.37 0.28 0.00 0.00 0.00 0.00 54.91 53.47 2rqb h ALA 914 Cb 1.19 0.53 -0.16 0.00 0.00 0.00 0.00 17.79 19.36 2rqb h ALA 914 CO 1.04 1.40 0.80 0.00 0.00 0.00 0.00 179.25 182.49 2rqb s SER 916 N -2.54 4.75 0.14 0.00 1.04 -1.26 0.12 113.70 115.95 2rqb s SER 916 Ca 0.11 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 55.85 2rqb s SER 916 Cb 0.01 -0.99 -0.00 0.00 0.10 0.00 0.00 66.02 65.15 2rqb s SER 916 CO -0.04 0.04 1.66 1.23 0.98 0.00 0.00 173.24 177.11 2rqb h GLY 917 N 2.27 -0.07 1.47 7.32 0.00 -1.58 0.10 103.07 112.59 2rqb h GLY 917 Ca -0.46 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.13 2rqb h GLY 917 CO 0.59 -0.16 0.20 1.05 0.00 0.00 0.00 176.54 178.22 2rqb h GLU 918 N -0.19 0.00 -1.02 4.80 -0.00 -1.63 0.33 114.58 116.88 2rqb h GLU 918 Ca 0.11 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 59.09 2rqb h GLU 918 Cb 0.35 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 28.88 2rqb h GLU 918 CO -0.28 0.00 0.48 -3.47 -0.00 0.00 0.00 179.01 175.74 2rqb n ASP 919 N -4.01 3.76 -4.18 3.06 4.64 0.34 -4.87 116.55 115.29 2rqb n ASP 919 Ca 0.02 -3.16 -0.14 0.00 -1.38 0.00 0.00 54.79 50.14 2rqb n ASP 919 Cb 0.34 -0.76 -0.11 0.00 -1.04 0.00 0.00 41.12 39.55 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2rqb s ILE 920 N -2.41 0.91 0.40 5.18 -1.09 0.12 -4.65 121.20 119.65 2rqb s ILE 920 Ca 0.41 -1.71 0.05 0.00 -2.23 0.00 0.00 60.65 57.18 2rqb s ILE 920 Cb 0.34 -1.43 -0.07 0.00 -1.58 0.00 0.00 42.46 39.73 2rqb s ILE 920 CO 0.07 -0.62 0.02 -1.00 -1.23 0.00 0.00 174.94 172.18 2rqb s HIS 921 N -2.68 2.30 0.15 3.97 3.76 -1.23 -4.74 115.29 116.82 2rqb s HIS 921 Ca 0.07 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.25 2rqb s HIS 921 Cb -0.01 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 2rqb s HIS 921 CO -0.01 0.30 -0.13 0.08 -0.85 0.00 0.00 174.74 174.13 2rqb s VAL 922 N -2.88 1.38 -0.15 -0.90 1.01 -1.26 -3.77 120.40 113.83 2rqb s VAL 922 Ca 0.32 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 2rqb s VAL 922 Cb 0.09 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2rqb s VAL 922 CO 0.16 -0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 174.04 2rqb s ILE 923 N -2.76 0.72 -1.13 2.22 -1.09 0.24 -0.89 121.20 118.50 2rqb s ILE 923 Ca 0.15 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 2rqb s ILE 923 Cb -0.01 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 2rqb s ILE 923 CO 0.03 0.05 0.00 -0.62 -1.23 0.00 0.00 174.94 173.17 2rqb n GLU 924 N 5.01 -1.85 -2.47 2.79 1.02 -1.26 -0.40 120.64 123.48 2rqb n GLU 924 Ca -0.10 0.64 -0.06 0.00 -0.02 0.00 0.00 57.16 57.62 2rqb n GLU 924 Cb 0.48 -5.08 -0.00 0.00 -0.02 0.00 0.00 31.44 26.82 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 -2.39 -2.63 0.00 3.49 4.01 -1.26 -4.63 118.16 114.75 2rqb n LYS 925 Ca -0.13 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 2rqb n LYS 925 Cb 0.52 -4.84 0.00 0.00 -0.51 0.00 0.00 35.03 30.21 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 -2.65 0.00 -4.64 1.97 0.00 0.46 -5.07 117.12 107.20 2rqb n MET 926 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.32 2rqb n MET 926 Cb 0.55 -0.79 -0.12 0.00 0.00 0.00 0.00 33.22 32.86 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 -1.71 2.59 -0.30 3.17 3.76 -0.24 -5.00 115.29 117.56 2rqb s HIS 927 Ca 0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 2rqb s HIS 927 Cb 0.00 -1.48 0.04 0.00 1.11 0.00 0.00 32.58 32.25 2rqb s HIS 927 CO 0.00 0.26 0.03 -1.01 -0.85 0.00 0.00 174.74 173.18 2rqb s HIS 928 N -0.93 3.21 -0.09 1.40 0.09 -1.26 -0.60 115.29 117.12 2rqb s HIS 928 Ca 0.15 -1.57 0.01 0.00 -0.00 0.00 0.00 55.06 53.66 2rqb s HIS 928 Cb -0.11 -2.17 -0.02 0.00 -0.00 0.00 0.00 32.58 30.28 2rqb s HIS 928 CO 0.05 -0.74 -0.12 0.14 -0.00 0.00 0.00 174.74 174.07 2rqb s VAL 929 N 1.34 3.17 -0.66 -0.90 -7.23 -1.25 -4.25 120.40 110.63 2rqb s VAL 929 Ca -0.02 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 2rqb s VAL 929 Cb -0.19 -2.29 0.17 0.00 0.56 0.00 0.00 36.38 34.63 2rqb s VAL 929 CO 0.00 0.56 0.59 0.21 -0.31 0.00 0.00 175.10 176.15 2rqb s ASN 930 N -0.25 6.32 -0.23 4.85 3.84 0.32 -3.50 114.94 126.29 2rqb s ASN 930 Ca 0.02 -2.24 -0.04 0.00 0.21 0.00 0.00 52.86 50.81 2rqb s ASN 930 Cb -0.13 -2.17 -0.05 0.00 -0.55 0.00 0.00 41.25 38.35 2rqb s ASN 930 CO 0.03 -0.69 2.94 0.23 -2.79 0.00 0.00 177.10 176.82 2rqb n MET 931 N 4.58 2.06 -3.89 0.43 2.81 -1.26 -4.07 117.12 117.79 2rqb n MET 931 Ca -0.01 -1.56 -0.36 0.00 -1.81 0.00 0.00 57.70 53.97 2rqb n MET 931 Cb 0.43 -1.93 -0.12 0.00 -0.71 0.00 0.00 33.22 30.89 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 -0.85 4.47 0.01 2.03 2.01 -1.26 -4.99 115.64 117.05 2rqb s THR 932 Ca 0.54 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.21 2rqb s THR 932 Cb 0.31 -3.06 -0.22 0.00 0.01 0.00 0.00 72.50 69.54 2rqb s THR 932 CO -0.10 0.38 1.13 1.55 -0.69 0.00 0.00 174.62 176.90 2rqb h PRO 933 N 7.65 0.40 -0.64 4.92 0.13 -2.00 -3.20 132.00 139.25 2rqb h PRO 933 Ca -0.37 -0.39 0.10 0.00 -0.87 0.00 0.00 66.00 64.48 2rqb h PRO 933 Cb 1.18 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2rqb h PRO 933 CO 0.62 1.05 0.43 1.05 -0.23 0.00 0.00 178.00 180.91 2rqb h GLU 934 N -0.11 0.43 -0.01 0.86 4.11 -1.99 0.25 114.58 118.13 2rqb h GLU 934 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2rqb h GLU 934 Cb 1.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2rqb h GLU 934 CO 0.10 0.29 0.04 0.35 0.07 0.00 0.00 179.01 179.85 2rqb h PHE 935 N 0.44 0.00 0.00 2.06 3.57 -1.84 0.20 116.94 121.37 2rqb h PHE 935 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2rqb h PHE 935 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2rqb h PHE 935 CO -0.00 0.00 0.00 0.36 -2.23 0.00 0.00 178.31 176.44 2rqb n LYS 936 N -3.26 0.17 -0.07 1.11 2.85 0.89 -0.45 118.16 119.40 2rqb n LYS 936 Ca -0.03 0.52 0.09 0.00 -1.05 0.00 0.00 58.31 57.84 2rqb n LYS 936 Cb 0.11 -1.91 0.12 0.00 -0.65 0.00 0.00 35.03 32.69 2rqb n LYS 936 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2rqb n GLU 937 N -2.25 1.80 -0.03 -1.58 -0.58 0.70 -4.26 120.64 114.44 2rqb n GLU 937 Ca 0.00 -1.76 -0.00 0.00 -0.42 0.00 0.00 57.16 54.98 2rqb n GLU 937 Cb 0.14 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.05 0.00 -4.44 -4.62 4.77 0.41 -5.00 117.00 109.16 2rqb n LEU 938 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 2rqb n LEU 938 Cb 0.47 0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 2rqb n LEU 938 CO 0.12 0.15 -0.52 -0.72 -1.33 0.00 0.00 177.39 175.08 2rqb s TYR 939 N -2.53 2.37 -0.04 -1.77 -0.85 -0.18 -4.12 117.35 110.22 2rqb s TYR 939 Ca -0.05 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.21 2rqb s TYR 939 Cb 0.05 -1.21 -0.00 0.00 0.38 0.00 0.00 41.96 41.18 2rqb s TYR 939 CO 0.47 0.45 -0.17 0.42 -1.52 0.00 0.00 175.55 175.20 2rqb s ILE 940 N -1.47 1.46 -0.13 -3.49 1.01 0.07 -4.76 121.20 113.89 2rqb s ILE 940 Ca 0.19 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2rqb s ILE 940 Cb -0.09 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 2rqb s ILE 940 CO 0.09 0.42 0.20 -0.69 0.00 0.00 0.00 174.94 174.97 2rqb s VAL 941 N 0.04 5.38 -0.24 2.92 1.01 -1.26 -1.15 120.40 127.09 2rqb s VAL 941 Ca -0.04 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 2rqb s VAL 941 Cb -0.12 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2rqb s VAL 941 CO 0.02 0.52 -0.03 -0.13 0.00 0.00 0.00 175.10 175.48 2rqb s ARG 942 N -0.36 3.12 -0.68 2.72 3.00 -1.08 -5.02 118.95 120.65 2rqb s ARG 942 Ca 0.15 -0.80 -0.35 0.00 0.00 0.00 0.00 55.73 54.73 2rqb s ARG 942 Cb -0.13 -3.06 -0.18 0.00 0.00 0.00 0.00 34.95 31.59 2rqb s ARG 942 CO 0.04 -0.32 2.41 -1.91 0.00 0.00 0.00 175.30 175.52 2rqb n GLU 943 N 4.76 0.29 -3.67 3.54 2.13 -1.26 -4.14 120.64 122.29 2rqb n GLU 943 Ca -0.17 0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.62 2rqb n GLU 943 Cb 0.49 -1.87 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 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 8.14 -0.43 0.00 4.31 2.47 -1.26 -5.00 114.94 123.17 2rqb s ASN 944 Ca 1.23 1.04 0.24 0.00 0.42 0.00 0.00 52.86 55.79 2rqb s ASN 944 Cb -1.15 1.27 0.38 0.00 -1.45 0.00 0.00 41.25 40.30 2rqb s ASN 944 CO 0.52 -0.22 1.32 2.29 -3.72 0.00 0.00 177.10 177.29 2rqb n LYS 945 N 5.04 0.41 0.10 0.43 2.85 -1.26 -3.84 118.16 121.89 2rqb n LYS 945 Ca -0.13 -0.28 0.08 0.00 -1.05 0.00 0.00 58.31 56.93 2rqb n LYS 945 Cb 0.51 -1.49 0.41 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.05 1.26 -0.09 0.58 0.00 -1.26 -2.94 120.51 117.02 2rqb n ALA 946 Ca 0.08 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 2rqb n ALA 946 Cb 0.36 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.01 1.83 -4.78 0.00 7.99 -1.25 -4.98 117.00 113.79 2rqb n LEU 947 Ca 0.00 0.31 -0.36 0.00 -0.01 0.00 0.00 56.01 55.95 2rqb n LEU 947 Cb 0.09 -0.70 -0.04 0.00 -0.11 0.00 0.00 43.42 42.66 2rqb n LEU 947 CO 0.11 -0.14 0.74 0.00 -1.51 0.00 0.00 177.39 176.59 2rqb s GLN 948 N -2.73 4.12 0.36 3.23 1.03 -1.15 -4.97 119.66 119.54 2rqb s GLN 948 Ca -0.28 1.53 0.06 0.00 0.04 0.00 0.00 55.36 56.71 2rqb s GLN 948 Cb 0.06 -2.51 -0.02 0.00 0.03 0.00 0.00 33.01 30.57 2rqb s GLN 948 CO 0.39 -0.19 0.20 1.63 -2.54 0.00 0.00 175.29 174.79 2rqb n LYS 949 N -0.14 0.49 0.00 9.60 5.02 -1.26 -4.75 118.16 127.12 2rqb n LYS 949 Ca 0.05 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.09 2rqb n LYS 949 Cb 0.50 2.18 0.00 0.00 -0.02 0.00 0.00 35.03 37.69 2rqb n LYS 949 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rqb n LYS 950 N -0.75 0.00 -1.47 1.97 4.01 -1.26 -4.58 118.16 116.08 2rqb n LYS 950 Ca 0.01 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.36 2rqb n LYS 950 Cb 0.58 -0.05 -0.11 0.00 -0.51 0.00 0.00 35.03 34.94 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n ALA 952 N 11.15 0.00 -0.03 0.00 0.00 -1.26 -5.03 120.51 125.34 2rqb n ALA 952 Ca 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.97 2rqb n ALA 952 Cb 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2rqb n ALA 952 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rqb n ASP 953 N 0.00 2.75 -4.11 0.00 10.43 -1.26 -4.86 116.55 119.50 2rqb n ASP 953 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 2rqb n ASP 953 Cb 0.00 1.03 -0.11 0.00 1.84 0.00 0.00 41.12 43.88 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2rqb s TYR 954 N -2.42 3.51 0.28 1.24 2.02 -1.26 -4.90 117.35 115.81 2rqb s TYR 954 Ca -0.04 -2.54 -0.29 0.00 -0.37 0.00 0.00 57.07 53.83 2rqb s TYR 954 Cb 0.04 -3.22 -0.10 0.00 -0.40 0.00 0.00 41.96 38.29 2rqb s TYR 954 CO 0.39 -0.92 1.34 -1.14 -1.57 0.00 0.00 175.55 173.65 2rqb s GLN 955 N 0.63 4.34 0.24 -0.62 -0.44 -1.22 -4.66 119.66 117.93 2rqb s GLN 955 Ca 0.12 2.19 0.09 0.00 -2.50 0.00 0.00 55.36 55.26 2rqb s GLN 955 Cb -0.22 -3.11 -0.04 0.00 -1.64 0.00 0.00 33.01 28.00 2rqb s GLN 955 CO -0.04 -0.26 0.01 0.42 0.50 0.00 0.00 175.29 175.93 2rqb s ILE 956 N -0.52 3.61 -0.10 -2.34 -1.09 -1.26 0.19 121.20 119.69 2rqb s ILE 956 Ca 0.54 -1.73 0.16 0.00 -2.23 0.00 0.00 60.65 57.39 2rqb s ILE 956 Cb -0.39 -2.90 -0.24 0.00 -1.58 0.00 0.00 42.46 37.35 2rqb s ILE 956 CO 0.46 -0.29 0.21 0.59 -1.23 0.00 0.00 174.94 174.68 2rqb n ASN 957 N -0.69 0.95 0.00 3.58 3.02 -0.66 -4.72 115.26 116.74 2rqb n ASN 957 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2rqb n ASN 957 Cb 0.58 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rqb n GLY 958 N 1.77 -0.56 3.17 7.41 0.00 -1.26 -4.56 105.19 111.15 2rqb n GLY 958 Ca -0.16 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.76 1.34 -0.15 1.61 2.12 -1.26 -3.24 118.70 117.37 2rqb s GLU 959 Ca 0.00 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 2rqb s GLU 959 Cb 0.00 -1.32 -0.05 0.00 0.26 0.00 0.00 34.13 33.02 2rqb s GLU 959 CO 0.00 0.36 0.17 0.96 -0.54 0.00 0.00 175.26 176.21 2rqb s ILE 960 N -0.50 5.42 0.02 -3.70 -4.36 -1.23 -2.63 121.20 114.23 2rqb s ILE 960 Ca 0.06 0.28 0.01 0.00 -0.26 0.00 0.00 60.65 60.75 2rqb s ILE 960 Cb -0.07 -3.47 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 2rqb s ILE 960 CO -0.00 0.53 -0.05 0.27 0.24 0.00 0.00 174.94 175.93 2rqb s ILE 961 N -0.36 0.32 1.07 8.37 -4.36 -0.30 -0.00 121.20 125.94 2rqb s ILE 961 Ca 0.13 -0.72 -0.18 0.00 -0.26 0.00 0.00 60.65 59.62 2rqb s ILE 961 Cb -0.12 -0.38 0.27 0.00 1.25 0.00 0.00 42.46 43.48 2rqb s ILE 961 CO 0.02 -0.27 0.74 0.00 0.24 0.00 0.00 174.94 175.68 2rqb h LYS 963 N 0.00 0.13 -0.42 0.00 1.79 -1.91 -1.54 116.57 114.62 2rqb h LYS 963 Ca -0.31 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.24 2rqb h LYS 963 Cb 1.01 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 2rqb h LYS 963 CO 0.19 0.21 0.30 0.00 -1.08 0.00 0.00 179.45 179.07 2rqb n GLY 965 N -1.58 0.95 3.48 0.00 0.00 -0.58 -5.11 105.19 102.34 2rqb n GLY 965 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 0.11 3.70 -0.46 1.61 2.00 -1.25 -4.76 119.66 120.60 2rqb s GLN 966 Ca 0.00 -0.46 -0.32 0.00 -2.00 0.00 0.00 55.36 52.57 2rqb s GLN 966 Cb 0.00 -3.26 -0.12 0.00 0.80 0.00 0.00 33.01 30.43 2rqb s GLN 966 CO 0.00 -0.07 2.31 0.00 -0.50 0.00 0.00 175.29 177.03 2rqb n ALA 967 N 4.57 0.95 0.08 1.58 0.00 -1.26 -0.09 120.51 126.35 2rqb n ALA 967 Ca -0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 2rqb n ALA 967 Cb 0.52 -2.67 -0.05 0.00 0.00 0.00 0.00 19.45 17.24 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 14.00 0.00 0.00 0.00 6.55 -0.75 -3.42 115.95 132.33 2rqb h TRP 968 Ca -0.24 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2rqb h TRP 968 Cb 1.30 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.60 2rqb h TRP 968 CO 0.98 0.73 0.00 0.41 -1.05 0.00 0.00 178.44 179.50 2rqb n GLY 969 N 1.32 -0.57 3.73 1.49 0.00 -1.11 0.14 105.19 110.20 2rqb n GLY 969 Ca -0.02 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.50 2.61 -4.23 -0.18 -3.57 115.64 109.77 2rqb s THR 970 Ca 0.00 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2rqb s THR 970 Cb 0.00 -2.31 0.13 0.00 1.34 0.00 0.00 72.50 71.66 2rqb s THR 970 CO 0.00 0.00 0.26 -0.32 -0.54 0.00 0.00 174.62 174.02 2rqb s MET 971 N -3.51 2.06 0.46 3.99 1.75 -1.20 -0.24 119.30 122.62 2rqb s MET 971 Ca 0.17 -2.31 -0.16 0.00 -1.25 0.00 0.00 55.69 52.14 2rqb s MET 971 Cb -0.04 -3.47 -0.08 0.00 2.84 0.00 0.00 34.83 34.08 2rqb s MET 971 CO 0.10 -1.09 0.91 -1.64 -0.65 0.00 0.00 175.02 172.65 2rqb s MET 972 N 0.25 3.96 0.11 4.11 -1.94 -0.07 -1.66 119.30 124.07 2rqb s MET 972 Ca 0.14 0.85 0.08 0.00 -1.71 0.00 0.00 55.69 55.06 2rqb s MET 972 Cb -0.22 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2rqb s MET 972 CO -0.03 -0.15 -0.21 0.08 -0.01 0.00 0.00 175.02 174.70 2rqb s VAL 973 N -2.45 1.75 -0.27 -6.03 1.01 0.50 -0.27 120.40 114.64 2rqb s VAL 973 Ca 0.57 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2rqb s VAL 973 Cb -0.10 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.79 2rqb s VAL 973 CO 0.27 -0.08 0.19 -2.28 0.00 0.00 0.00 175.10 173.21 2rqb s HIS 974 N -1.24 -0.04 -1.56 5.22 5.04 -0.90 -3.44 115.29 118.37 2rqb s HIS 974 Ca 0.08 -0.44 0.00 0.00 -1.54 0.00 0.00 55.06 53.16 2rqb s HIS 974 Cb -0.10 -0.66 0.00 0.00 0.04 0.00 0.00 32.58 31.86 2rqb s HIS 974 CO 0.05 -0.80 0.00 1.63 -2.34 0.00 0.00 174.74 173.27 2rqb n LYS 975 N 5.28 -1.07 -0.05 2.88 5.02 -1.26 -0.91 118.16 128.05 2rqb n LYS 975 Ca -0.05 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2rqb n LYS 975 Cb 0.45 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2rqb n LYS 975 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rqb n GLY 976 N -1.11 0.50 3.87 0.72 0.00 -1.26 -4.49 105.19 103.42 2rqb n GLY 976 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 3.12 -0.31 0.99 1.98 -0.09 -5.04 118.68 119.33 2rqb s LEU 977 Ca 0.00 1.35 -0.09 0.00 -2.89 0.00 0.00 54.13 52.50 2rqb s LEU 977 Cb 0.00 -4.31 0.00 0.00 0.66 0.00 0.00 46.19 42.54 2rqb s LEU 977 CO 0.00 -1.05 0.13 -1.81 -1.89 0.00 0.00 176.35 171.73 2rqb s ASP 978 N -4.20 5.41 -0.31 3.68 -0.00 -1.26 -2.13 116.67 117.86 2rqb s ASP 978 Ca 0.56 -0.64 -0.02 0.00 -0.00 0.00 0.00 52.55 52.45 2rqb s ASP 978 Cb -0.11 -1.96 0.11 0.00 -0.00 0.00 0.00 42.92 40.96 2rqb s ASP 978 CO 0.53 -0.21 0.14 -0.76 -0.00 0.00 0.00 175.17 174.87 2rqb s LEU 979 N 1.56 1.18 0.41 1.23 1.02 0.62 -4.86 118.68 119.84 2rqb s LEU 979 Ca 0.04 -1.61 -0.24 0.00 0.02 0.00 0.00 54.13 52.34 2rqb s LEU 979 Cb -0.17 -0.53 -0.09 0.00 0.02 0.00 0.00 46.19 45.42 2rqb s LEU 979 CO 0.05 -0.40 1.05 -2.16 0.02 0.00 0.00 176.35 174.91 2rqb s PRO 980 N 1.70 4.12 -0.32 1.29 0.04 -1.26 -0.89 135.00 139.69 2rqb s PRO 980 Ca 0.11 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.69 2rqb s PRO 980 Cb -0.18 -2.50 0.09 0.00 0.04 0.00 0.00 34.50 31.95 2rqb s PRO 980 CO -0.25 -0.18 0.03 0.00 0.04 0.00 0.00 177.00 176.64 2rqb s LEU 982 N 1.05 2.17 -0.12 0.00 2.01 -1.26 -1.01 118.68 121.52 2rqb s LEU 982 Ca 0.07 1.13 -0.01 0.00 0.01 0.00 0.00 54.13 55.33 2rqb s LEU 982 Cb -0.19 -3.53 0.03 0.00 0.01 0.00 0.00 46.19 42.51 2rqb s LEU 982 CO -0.10 -2.44 -0.04 -0.54 1.01 0.00 0.00 176.35 174.25 2rqb s LYS 983 N -5.19 1.15 0.63 1.70 1.02 0.38 -4.83 119.74 114.60 2rqb s LYS 983 Ca 0.63 -0.21 0.42 0.00 0.02 0.00 0.00 55.97 56.84 2rqb s LYS 983 Cb -0.15 -1.52 2.23 0.00 -0.52 0.00 0.00 37.83 37.87 2rqb s LYS 983 CO 0.54 -0.34 2.29 0.82 -0.92 0.00 0.00 175.35 177.74 2rqb h ILE 984 N 6.29 0.00 0.00 2.17 2.04 -1.85 0.26 117.51 126.42 2rqb h ILE 984 Ca -0.24 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2rqb h ILE 984 Cb 1.12 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2rqb h ILE 984 CO 0.35 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.39 2rqb n ARG 985 N -3.03 0.16 0.00 2.37 1.85 -0.59 -2.22 116.66 115.19 2rqb n ARG 985 Ca -0.02 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 2rqb n ARG 985 Cb 0.10 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 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 -2.05 0.89 -3.76 2.89 3.02 0.82 -4.99 115.26 112.07 2rqb n ASN 986 Ca 0.03 -0.94 -0.20 0.00 -0.03 0.00 0.00 54.58 53.44 2rqb n ASN 986 Cb 0.25 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.12 0.19 -3.97 3.10 3.72 -0.55 -0.80 117.46 119.03 2rqb n PHE 987 Ca 0.00 -1.58 -0.09 0.00 -0.05 0.00 0.00 57.45 55.73 2rqb n PHE 987 Cb 0.00 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.20 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2rqb s VAL 988 N -2.04 0.15 -0.17 -4.37 1.01 0.27 -4.41 120.40 110.85 2rqb s VAL 988 Ca 0.07 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.83 2rqb s VAL 988 Cb -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2rqb s VAL 988 CO 0.04 -0.68 -0.19 -0.69 0.00 0.00 0.00 175.10 173.58 2rqb s VAL 989 N -2.78 1.98 -0.22 2.92 1.01 -0.08 -0.76 120.40 122.46 2rqb s VAL 989 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2rqb s VAL 989 Cb -0.00 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2rqb s VAL 989 CO -0.06 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 2rqb s VAL 990 N 1.22 2.65 0.15 2.92 1.01 -1.15 0.66 120.40 127.87 2rqb s VAL 990 Ca 0.02 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2rqb s VAL 990 Cb -0.13 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 2rqb s VAL 990 CO -0.10 0.33 1.05 -0.36 0.00 0.00 0.00 175.10 176.01 2rqb s PHE 991 N 1.32 3.68 -0.05 5.22 0.08 -0.96 -3.16 117.98 124.12 2rqb s PHE 991 Ca 0.02 1.67 -0.10 0.00 0.12 0.00 0.00 56.93 58.64 2rqb s PHE 991 Cb -0.15 -3.19 -0.30 0.00 -0.57 0.00 0.00 43.02 38.80 2rqb s PHE 991 CO -0.07 -0.31 0.66 -0.22 -0.10 0.00 0.00 175.22 175.18 2rqb h LYS 992 N 5.29 0.38 -0.95 0.44 3.64 -0.65 -3.35 116.57 121.37 2rqb h LYS 992 Ca -0.44 -0.65 0.14 0.00 -1.27 0.00 0.00 60.65 58.43 2rqb h LYS 992 Cb 1.21 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 33.13 2rqb h LYS 992 CO 0.72 1.31 -0.42 -0.91 -2.27 0.00 0.00 179.45 177.88 2rqb h ASN 993 N 0.10 -1.55 -4.51 4.20 -0.26 -1.93 -3.40 115.58 108.24 2rqb h ASN 993 Ca -0.35 0.31 -0.36 0.00 -0.56 0.00 0.00 56.30 55.34 2rqb h ASN 993 Cb 2.10 0.78 -0.23 0.00 -1.06 0.00 0.00 38.32 39.91 2rqb h ASN 993 CO 0.17 -0.28 -0.76 0.21 -1.06 0.00 0.00 177.43 175.71 2rqb s ASN 994 N -5.36 1.28 -0.74 5.81 2.47 -1.26 -5.06 114.94 112.08 2rqb s ASN 994 Ca -0.14 -0.52 -0.26 0.00 0.42 0.00 0.00 52.86 52.37 2rqb s ASN 994 Cb 0.18 -0.03 -0.09 0.00 -1.45 0.00 0.00 41.25 39.86 2rqb s ASN 994 CO 0.69 -0.09 2.26 -0.55 -3.72 0.00 0.00 177.10 175.70 2rqb s SER 995 N -1.42 4.38 0.07 -4.21 0.15 -1.26 -4.50 113.70 106.92 2rqb s SER 995 Ca -0.04 0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.57 2rqb s SER 995 Cb -0.09 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2rqb s SER 995 CO 0.01 -3.31 0.41 -0.89 1.20 0.00 0.00 173.24 170.66 2rqb s THR 996 N 12.78 0.06 -0.17 6.45 2.01 -1.26 -5.07 115.64 130.45 2rqb s THR 996 Ca 0.87 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 2rqb s THR 996 Cb -0.12 -1.03 0.05 0.00 0.01 0.00 0.00 72.50 71.40 2rqb s THR 996 CO 0.11 -0.28 0.01 -0.75 -0.69 0.00 0.00 174.62 173.03 2rqb s LYS 997 N -2.97 0.80 -0.18 4.92 2.20 -1.26 -2.25 119.74 121.00 2rqb s LYS 997 Ca -0.02 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 2rqb s LYS 997 Cb 0.00 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 2rqb s LYS 997 CO -0.06 -0.56 0.04 0.15 -0.36 0.00 0.00 175.35 174.56 2rqb s LYS 998 N 1.82 3.89 -0.36 4.03 3.01 0.21 -4.99 119.74 127.36 2rqb s LYS 998 Ca -0.00 -0.39 -0.07 0.00 -1.01 0.00 0.00 55.97 54.50 2rqb s LYS 998 Cb -0.16 -3.16 0.05 0.00 -1.01 0.00 0.00 37.83 33.55 2rqb s LYS 998 CO -0.07 0.24 0.13 -1.14 0.51 0.00 0.00 175.35 175.02 2rqb s GLN 999 N 0.45 2.57 0.07 1.68 0.74 -1.26 -0.90 119.66 123.01 2rqb s GLN 999 Ca 0.02 -1.27 0.01 0.00 0.05 0.00 0.00 55.36 54.17 2rqb s GLN 999 Cb -0.13 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.48 2rqb s GLN 999 CO 0.01 -0.74 0.10 0.66 -0.55 0.00 0.00 175.29 174.78 2rqb n TYR 1000N 4.81 -2.96 0.00 1.67 4.02 -1.26 -5.03 117.16 118.41 2rqb n TYR 1000Ca -0.11 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 2rqb n TYR 1000Cb 0.44 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 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 -1.17 0.00 -4.34 -0.72 2.85 -1.26 -4.15 118.16 109.38 2rqb n LYS 1001Ca 0.02 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.99 2rqb n LYS 1001Cb 0.08 -0.52 -0.12 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.80 1.66 0.56 -1.58 -0.14 -1.26 -1.54 119.74 115.64 2rqb s LYS 1002Ca 0.00 -1.27 0.34 0.00 -1.36 0.00 0.00 55.97 53.68 2rqb s LYS 1002Cb 0.00 -2.03 1.55 0.00 -1.68 0.00 0.00 37.83 35.68 2rqb s LYS 1002CO 0.00 0.46 2.06 -1.49 -0.76 0.00 0.00 175.35 175.62 2rqb h TRP 1003N 3.68 0.00 0.00 3.18 4.06 -1.97 -0.72 115.95 124.18 2rqb h TRP 1003Ca -0.50 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.40 2rqb h TRP 1003Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2rqb h TRP 1003CO 0.61 0.05 -0.27 -0.24 -3.56 0.00 0.00 178.44 175.03 2rqb h VAL 1004N 0.00 0.76 0.00 1.49 3.04 -2.00 -1.89 116.25 117.66 2rqb h VAL 1004Ca -0.00 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.56 2rqb h VAL 1004Cb 0.40 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2rqb h VAL 1004CO 0.01 0.26 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.49 2rqb h GLU 1005N 0.00 0.00 -6.30 4.17 4.39 -1.53 -3.42 114.58 111.89 2rqb h GLU 1005Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2rqb h GLU 1005Cb 0.68 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2rqb h GLU 1005CO 0.03 0.01 1.15 -1.17 -1.16 0.00 0.00 179.01 177.87 2rqb s LEU 1006N -6.21 3.81 0.00 1.33 2.96 -0.71 -4.83 118.68 115.03 2rqb s LEU 1006Ca 0.02 1.52 0.21 0.00 -0.22 0.00 0.00 54.13 55.66 2rqb s LEU 1006Cb 0.08 -3.53 1.26 0.00 0.50 0.00 0.00 46.19 44.51 2rqb s LEU 1006CO 0.56 -1.34 1.67 -0.81 -1.32 0.00 0.00 176.35 175.12 2rqb n PRO 1007N 7.81 0.75 -3.09 0.98 -0.04 -1.26 -4.73 135.00 135.42 2rqb n PRO 1007Ca 0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 2rqb n PRO 1007Cb 0.46 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.00 4.90 0.06 0.52 1.09 -1.26 -4.83 121.20 119.68 2rqb s ILE 1008Ca 0.32 1.42 -0.30 0.00 -1.10 0.00 0.00 60.65 60.99 2rqb s ILE 1008Cb 0.15 -4.02 -0.05 0.00 -1.06 0.00 0.00 42.46 37.48 2rqb s ILE 1008CO 0.24 0.35 1.01 -0.89 -0.10 0.00 0.00 174.94 175.55 2rqb s THR 1009N 0.19 4.54 0.35 2.92 2.01 -1.21 -4.99 115.64 119.45 2rqb s THR 1009Ca 0.35 1.95 0.08 0.00 0.31 0.00 0.00 61.69 64.38 2rqb s THR 1009Cb -0.19 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2rqb s THR 1009CO 0.19 0.22 0.24 -0.36 -0.69 0.00 0.00 174.62 174.22 2rqb s PHE 1010N 0.53 2.79 0.00 4.92 0.40 -1.26 -4.54 117.98 120.83 2rqb s PHE 1010Ca 0.51 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 2rqb s PHE 1010Cb -0.24 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2rqb s PHE 1010CO 0.29 0.21 0.00 -0.35 0.70 0.00 0.00 175.22 176.08 2rqb n PRO 1011N -1.30 0.63 -3.40 0.24 -0.04 -1.26 -5.03 135.00 124.84 2rqb n PRO 1011Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 2rqb n PRO 1011Cb 0.61 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.83 -0.18 3.54 0.01 -1.26 -4.25 114.94 112.38 2rqb s ASN 1012Ca 0.00 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2rqb s ASN 1012Cb 0.00 0.79 0.02 0.00 0.41 0.00 0.00 41.25 42.47 2rqb s ASN 1012CO 0.00 -0.33 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.87 2rqb s LEU 1013N 2.45 2.15 0.48 0.60 0.20 -0.07 -4.88 118.68 119.60 2rqb s LEU 1013Ca 0.10 -0.69 0.04 0.00 0.69 0.00 0.00 54.13 54.28 2rqb s LEU 1013Cb -0.15 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 2rqb s LEU 1013CO -0.18 -0.03 0.67 -1.81 -0.29 0.00 0.00 176.35 174.70 2rqb s ASP 1014N 1.32 5.50 -0.04 3.68 1.11 -1.26 -4.16 116.67 122.82 2rqb s ASP 1014Ca 0.04 -0.18 0.08 0.00 0.18 0.00 0.00 52.55 52.67 2rqb s ASP 1014Cb -0.14 -0.83 -0.24 0.00 1.07 0.00 0.00 42.92 42.79 2rqb s ASP 1014CO -0.12 -0.92 0.68 1.88 1.18 0.00 0.00 175.17 177.87 2rqb h TYR 1015N 0.37 0.10 -1.91 4.23 0.05 -1.94 -3.35 116.97 114.52 2rqb h TYR 1015Ca -0.42 -0.07 0.56 0.00 0.05 0.00 0.00 58.73 58.85 2rqb h TYR 1015Cb 1.29 -0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.94 2rqb h TYR 1015CO 0.39 1.14 1.37 0.45 -1.05 0.00 0.00 178.16 180.46 2rqb n SER 1016N -3.16 0.01 0.09 3.88 2.88 -1.26 0.18 113.62 116.24 2rqb n SER 1016Ca -0.18 0.99 -0.13 0.00 -1.33 0.00 0.00 58.87 58.22 2rqb n SER 1016Cb 1.04 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 2rqb n SER 1016CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2rqb h GLU 1017N 0.00 -0.15 -4.16 -1.46 4.39 -2.00 -3.32 114.58 107.87 2rqb h GLU 1017Ca 0.92 0.01 -0.76 0.00 0.34 0.00 0.00 59.36 59.87 2rqb h GLU 1017Cb 3.66 0.03 -0.24 0.00 -0.10 0.00 0.00 28.75 32.11 2rqb h GLU 1017CO -0.03 -0.07 0.30 0.00 -1.16 0.00 0.00 179.01 178.06 2rqb h LEU 1020N 1.51 0.36 -1.85 0.00 -0.00 -1.92 -3.29 115.31 110.12 2rqb h LEU 1020Ca 0.45 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2rqb h LEU 1020Cb 1.64 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.18 2rqb h LEU 1020CO 0.96 1.49 0.00 0.49 -0.00 0.00 0.00 178.44 181.37 2rqb n PHE 1021N -4.08 0.75 -2.88 1.13 3.01 -1.26 -4.77 117.46 109.36 2rqb n PHE 1021Ca -0.20 -0.27 -0.43 0.00 1.01 0.00 0.00 57.45 57.56 2rqb n PHE 1021Cb 0.83 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 40.04 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2rqb s SER 1022N -0.41 6.23 -0.52 4.37 0.15 -1.24 -4.47 113.70 117.81 2rqb s SER 1022Ca 0.21 -1.15 -0.00 0.00 0.70 0.00 0.00 55.95 55.71 2rqb s SER 1022Cb 0.15 -2.41 0.14 0.00 -1.71 0.00 0.00 66.02 62.19 2rqb s SER 1022CO 0.07 -1.38 0.30 1.51 1.20 0.00 0.00 173.24 174.94 2rqb s ASP 1023N 3.69 4.95 0.97 5.45 -4.77 -1.26 -5.08 116.67 120.62 2rqb s ASP 1023Ca 0.23 -2.64 -0.13 0.00 -3.30 0.00 0.00 52.55 46.71 2rqb s ASP 1023Cb -0.16 -1.77 0.19 0.00 -1.09 0.00 0.00 42.92 40.09 2rqb s ASP 1023CO 0.07 -0.37 1.11 -0.62 0.70 0.00 0.00 175.17 176.07 2rqb n GLU 1024N 3.71 -1.02 0.00 2.11 4.71 -1.26 -5.09 120.64 123.80 2rqb n GLU 1024Ca 0.05 -1.81 0.16 0.00 -0.01 0.00 0.00 57.16 55.54 2rqb n GLU 1024Cb 0.38 -1.12 0.87 0.00 -1.01 0.00 0.00 31.44 30.56 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97