#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb h PRO 892 N 0.00 -0.00 -6.46 1.61 0.13 -2.03 -3.48 132.00 121.77 2rqb h PRO 892 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2rqb h PRO 892 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2rqb h PRO 892 CO 0.00 -0.00 -0.88 1.28 -0.23 0.00 0.00 178.00 178.16 2rqb n LEU 893 N -2.04 -2.30 0.00 1.56 7.99 -1.26 -4.94 117.00 116.00 2rqb n LEU 893 Ca -0.00 -0.99 -0.22 0.00 -0.01 0.00 0.00 56.01 54.78 2rqb n LEU 893 Cb 0.00 -2.26 0.00 0.00 -0.11 0.00 0.00 43.42 41.05 2rqb n LEU 893 CO 0.00 0.43 0.06 0.61 -1.51 0.00 0.00 177.39 176.98 2rqb n GLY 894 N -1.95 2.80 0.55 -0.72 0.00 -1.26 -5.11 105.19 99.49 2rqb n GLY 894 Ca -0.31 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.43 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqb n SER 895 N -1.85 0.00 -4.51 1.61 2.88 -1.26 -5.11 113.62 105.38 2rqb n SER 895 Ca -0.02 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.28 2rqb n SER 895 Cb 0.54 -0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 2rqb n SER 895 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2rqb s TYR 896 N -0.60 2.39 -0.01 0.66 2.02 -1.26 -5.03 117.35 115.52 2rqb s TYR 896 Ca 0.00 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2rqb s TYR 896 Cb 0.00 -1.04 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2rqb s TYR 896 CO 0.00 0.69 0.76 1.17 -1.57 0.00 0.00 175.55 176.61 2rqb n LYS 897 N -0.69 0.68 -0.59 -0.62 4.81 -1.26 -4.75 118.16 115.75 2rqb n LYS 897 Ca -0.05 -0.98 0.02 0.00 -0.87 0.00 0.00 58.31 56.42 2rqb n LYS 897 Cb 0.60 -0.68 0.23 0.00 0.02 0.00 0.00 35.03 35.20 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rqb n ASN 898 N -0.22 3.87 -4.52 3.14 2.85 -1.26 -4.75 115.26 114.37 2rqb n ASN 898 Ca 0.01 -2.63 -0.35 0.00 -0.11 0.00 0.00 54.58 51.50 2rqb n ASN 898 Cb 0.51 -0.63 -0.12 0.00 1.24 0.00 0.00 39.78 40.78 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 -0.47 5.14 0.00 1.20 3.84 -1.26 -3.27 114.94 120.12 2rqb s ASN 899 Ca 0.34 -0.09 0.23 0.00 0.21 0.00 0.00 52.86 53.55 2rqb s ASN 899 Cb 0.26 -1.88 1.36 0.00 -0.55 0.00 0.00 41.25 40.45 2rqb s ASN 899 CO 0.09 0.11 1.75 -0.81 -2.79 0.00 0.00 177.10 175.45 2rqb n PRO 900 N 3.95 0.75 0.09 0.43 -0.04 -1.26 -2.44 135.00 136.47 2rqb n PRO 900 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2rqb n PRO 900 Cb 0.52 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.90 3.54 0.87 -1.93 -2.52 113.55 114.42 2rqb h SER 901 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 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 0.58 -1.16 -0.07 -0.53 0.00 0.00 176.83 175.65 2rqb h LEU 902 N 0.00 0.00-10.10 2.23 3.38 -1.86 -3.47 115.31 105.49 2rqb h LEU 902 Ca -0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 2rqb h LEU 902 Cb 1.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2rqb h LEU 902 CO 0.06 0.36 -0.44 0.27 0.09 0.00 0.00 178.44 178.79 2rqb s ILE 903 N -3.08 5.29 0.10 1.22 -4.36 -1.22 0.59 121.20 119.74 2rqb s ILE 903 Ca -0.01 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 59.50 2rqb s ILE 903 Cb 0.09 -3.79 0.01 0.00 1.25 0.00 0.00 42.46 40.02 2rqb s ILE 903 CO 0.79 -0.19 0.25 -0.89 0.24 0.00 0.00 174.94 175.14 2rqb s THR 904 N -1.85 0.12 -0.12 8.37 2.01 -1.05 -3.57 115.64 119.56 2rqb s THR 904 Ca 0.35 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 2rqb s THR 904 Cb -0.10 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2rqb s THR 904 CO 0.29 -0.55 0.15 -0.36 -0.69 0.00 0.00 174.62 173.45 2rqb s PHE 905 N -3.84 3.60 0.34 4.92 0.08 0.80 -2.44 117.98 121.44 2rqb s PHE 905 Ca 0.04 0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.67 2rqb s PHE 905 Cb 0.04 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2rqb s PHE 905 CO -0.11 0.74 0.16 -0.51 -0.10 0.00 0.00 175.22 175.39 2rqb s LEU 906 N -1.02 1.80 -0.23 -0.37 1.43 -0.38 -1.76 118.68 118.15 2rqb s LEU 906 Ca 0.15 -1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 51.45 2rqb s LEU 906 Cb -0.12 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 2rqb s LEU 906 CO 0.04 -0.91 0.55 0.00 0.23 0.00 0.00 176.35 176.26 2rqb h LYS 908 N 7.76 -0.82 -0.46 0.00 3.64 -1.27 0.39 116.57 125.81 2rqb h LYS 908 Ca -0.30 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2rqb h LYS 908 Cb 1.14 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 2rqb h LYS 908 CO 0.74 -0.55 -0.50 -0.91 -2.27 0.00 0.00 179.45 175.96 2rqb h ASN 909 N -0.85 -1.68 0.00 4.20 4.21 -1.94 -3.40 115.58 116.12 2rqb h ASN 909 Ca -0.03 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.72 2rqb h ASN 909 Cb 0.81 0.71 0.00 0.00 -1.12 0.00 0.00 38.32 38.72 2rqb h ASN 909 CO -0.20 -0.38 0.00 0.00 -1.29 0.00 0.00 177.43 175.56 2rqb n SER 911 N 0.00 0.00 -4.78 0.00 3.41 0.13 -4.75 113.62 107.63 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 5.21 -0.34 -3.33 -7.23 -1.26 -4.53 120.40 108.91 2rqb s VAL 912 Ca 0.00 0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 60.59 2rqb s VAL 912 Cb 0.00 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 2rqb s VAL 912 CO 0.00 0.46 2.12 -0.22 -0.31 0.00 0.00 175.10 177.16 2rqb s LEU 913 N -0.17 3.43 -0.02 1.32 1.98 -1.26 -2.61 118.68 121.35 2rqb s LEU 913 Ca 0.21 1.42 -0.01 0.00 -2.89 0.00 0.00 54.13 52.86 2rqb s LEU 913 Cb -0.15 -3.20 -0.27 0.00 0.66 0.00 0.00 46.19 43.24 2rqb s LEU 913 CO 0.08 -2.14 0.75 0.00 -1.89 0.00 0.00 176.35 173.15 2rqb h ALA 914 N 15.52 0.38 -1.29 5.97 0.00 -1.68 -3.49 119.26 134.67 2rqb h ALA 914 Ca -0.34 -1.21 0.35 0.00 0.00 0.00 0.00 54.91 53.70 2rqb h ALA 914 Cb 1.22 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 2rqb h ALA 914 CO 1.05 1.24 0.89 0.00 0.00 0.00 0.00 179.25 182.42 2rqb s SER 916 N -2.90 5.12 0.19 0.00 0.01 -1.26 -0.14 113.70 114.72 2rqb s SER 916 Ca 0.14 -0.37 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 2rqb s SER 916 Cb 0.05 -1.18 0.18 0.00 0.21 0.00 0.00 66.02 65.28 2rqb s SER 916 CO -0.05 0.01 1.78 1.23 0.41 0.00 0.00 173.24 176.62 2rqb h GLY 917 N 1.93 0.77 2.00 3.44 0.00 -1.58 0.53 103.07 110.16 2rqb h GLY 917 Ca -0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 2rqb h GLY 917 CO 0.60 0.09 -0.12 1.05 0.00 0.00 0.00 176.54 178.16 2rqb h GLU 918 N 0.50 0.00 -1.02 4.80 4.11 -1.73 -1.43 114.58 119.80 2rqb h GLU 918 Ca 0.25 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.34 2rqb h GLU 918 Cb 0.20 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.25 2rqb h GLU 918 CO -0.19 0.12 0.44 -3.47 0.07 0.00 0.00 179.01 175.97 2rqb n ASP 919 N -3.60 3.70 -4.14 3.06 4.64 0.16 -4.86 116.55 115.52 2rqb n ASP 919 Ca -0.02 -3.07 -0.15 0.00 -1.38 0.00 0.00 54.79 50.18 2rqb n ASP 919 Cb 0.25 -0.74 -0.11 0.00 -1.04 0.00 0.00 41.12 39.47 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 -2.22 0.86 0.23 5.18 -1.09 -0.54 -4.64 121.20 118.97 2rqb s ILE 920 Ca 0.38 -1.38 0.11 0.00 -2.23 0.00 0.00 60.65 57.53 2rqb s ILE 920 Cb 0.31 -1.06 -0.05 0.00 -1.58 0.00 0.00 42.46 40.09 2rqb s ILE 920 CO 0.07 -0.42 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.16 2rqb s HIS 921 N -1.82 2.36 0.18 3.97 3.76 -1.22 -4.70 115.29 117.81 2rqb s HIS 921 Ca -0.01 -0.32 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2rqb s HIS 921 Cb -0.07 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 2rqb s HIS 921 CO 0.01 0.59 -0.20 0.08 -0.85 0.00 0.00 174.74 174.37 2rqb s VAL 922 N -2.01 2.62 -0.26 -0.90 1.01 -1.26 -3.51 120.40 116.09 2rqb s VAL 922 Ca 0.25 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.39 2rqb s VAL 922 Cb -0.07 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.13 2rqb s VAL 922 CO 0.13 -0.07 -0.02 -0.63 0.00 0.00 0.00 175.10 174.51 2rqb s ILE 923 N -1.57 1.50 -1.44 2.22 -1.09 -0.33 -0.76 121.20 119.73 2rqb s ILE 923 Ca 0.21 -1.36 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2rqb s ILE 923 Cb -0.09 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 2rqb s ILE 923 CO 0.11 -0.24 0.00 -0.62 -1.23 0.00 0.00 174.94 172.96 2rqb n GLU 924 N 4.66 -1.43 -1.83 2.79 1.02 -1.26 -0.37 120.64 124.22 2rqb n GLU 924 Ca -0.09 0.80 -0.12 0.00 -0.02 0.00 0.00 57.16 57.74 2rqb n GLU 924 Cb 0.44 -5.11 -0.03 0.00 -0.02 0.00 0.00 31.44 26.71 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 -2.06 -1.70 -0.01 3.49 4.01 -1.26 -4.68 118.16 115.95 2rqb n LYS 925 Ca -0.14 0.63 -0.01 0.00 -0.51 0.00 0.00 58.31 58.28 2rqb n LYS 925 Cb 0.48 -5.01 -0.01 0.00 -0.51 0.00 0.00 35.03 29.98 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 -2.22 1.88 -5.12 1.97 0.00 0.50 -5.03 117.12 109.11 2rqb n MET 926 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.28 2rqb n MET 926 Cb 0.48 -1.03 -0.16 0.00 0.00 0.00 0.00 33.22 32.51 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 -2.02 2.23 -0.41 3.17 3.76 -0.38 -5.02 115.29 116.61 2rqb s HIS 927 Ca -0.01 -0.70 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 2rqb s HIS 927 Cb 0.00 -1.48 0.03 0.00 1.11 0.00 0.00 32.58 32.25 2rqb s HIS 927 CO 0.03 -0.23 0.29 -3.38 -0.85 0.00 0.00 174.74 170.60 2rqb s HIS 928 N -0.02 3.25 -0.09 1.40 -3.43 -1.26 -1.19 115.29 113.94 2rqb s HIS 928 Ca -0.06 -0.79 0.02 0.00 -0.80 0.00 0.00 55.06 53.44 2rqb s HIS 928 Cb -0.14 -2.65 -0.01 0.00 -1.43 0.00 0.00 32.58 28.35 2rqb s HIS 928 CO 0.04 -0.65 -0.17 0.14 -2.00 0.00 0.00 174.74 172.10 2rqb s VAL 929 N 1.63 2.72 -0.66 -5.38 -7.23 -1.23 -4.13 120.40 106.12 2rqb s VAL 929 Ca 0.04 -0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 2rqb s VAL 929 Cb -0.20 -2.09 0.14 0.00 0.56 0.00 0.00 36.38 34.80 2rqb s VAL 929 CO 0.08 0.55 0.68 0.21 -0.31 0.00 0.00 175.10 176.32 2rqb s ASN 930 N 0.01 6.37 -0.13 4.85 3.84 0.08 -3.42 114.94 126.54 2rqb s ASN 930 Ca -0.06 -1.92 -0.04 0.00 0.21 0.00 0.00 52.86 51.05 2rqb s ASN 930 Cb -0.15 -2.25 -0.09 0.00 -0.55 0.00 0.00 41.25 38.21 2rqb s ASN 930 CO 0.05 -0.89 2.95 0.23 -2.79 0.00 0.00 177.10 176.65 2rqb n MET 931 N 5.38 1.86 -3.81 0.43 2.81 -1.26 -4.08 117.12 118.45 2rqb n MET 931 Ca -0.03 -1.14 -0.36 0.00 -1.81 0.00 0.00 57.70 54.36 2rqb n MET 931 Cb 0.43 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 31.03 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 -0.24 4.30 0.02 2.03 2.01 -1.26 -4.98 115.64 117.51 2rqb s THR 932 Ca 0.48 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 2rqb s THR 932 Cb 0.26 -3.00 -0.22 0.00 0.01 0.00 0.00 72.50 69.56 2rqb s THR 932 CO -0.05 0.36 1.15 1.55 -0.69 0.00 0.00 174.62 176.94 2rqb h PRO 933 N 8.04 0.46 -0.00 4.92 0.13 -1.99 -3.16 132.00 140.39 2rqb h PRO 933 Ca -0.38 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2rqb h PRO 933 Cb 1.17 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rqb h PRO 933 CO 0.59 1.09 0.00 1.05 -0.23 0.00 0.00 178.00 180.50 2rqb h GLU 934 N -0.01 0.00 0.00 0.86 4.11 -1.98 0.79 114.58 118.35 2rqb h GLU 934 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2rqb h GLU 934 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2rqb h GLU 934 CO 0.12 0.00 -0.05 0.35 0.07 0.00 0.00 179.01 179.50 2rqb h PHE 935 N 0.00 0.00 0.00 2.06 3.57 -1.84 -1.36 116.94 119.37 2rqb h PHE 935 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2rqb h PHE 935 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2rqb h PHE 935 CO 0.00 0.05 0.00 1.57 -2.23 0.00 0.00 178.31 177.70 2rqb h LYS 936 N 0.00 0.00 -0.35 1.11 2.10 -0.90 0.17 116.57 118.71 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 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2rqb h LYS 936 CO 0.01 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.85 2rqb n GLU 937 N -2.33 2.28 -0.00 0.07 -0.58 -0.51 -4.16 120.64 115.40 2rqb n GLU 937 Ca 0.00 -2.06 0.04 0.00 -0.42 0.00 0.00 57.16 54.72 2rqb n GLU 937 Cb 0.14 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.08 0.26 -4.26 -4.62 4.77 0.53 -5.00 117.00 109.76 2rqb n LEU 938 Ca 0.15 -0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 55.58 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 0.06 -0.50 -0.72 -1.33 0.00 0.00 177.39 175.03 2rqb s TYR 939 N -2.05 1.63 -0.03 -1.77 -0.85 -0.75 -4.09 117.35 109.44 2rqb s TYR 939 Ca 0.01 -0.44 0.05 0.00 -0.52 0.00 0.00 57.07 56.17 2rqb s TYR 939 Cb 0.06 -0.89 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 2rqb s TYR 939 CO 0.34 0.17 -0.17 0.42 -1.52 0.00 0.00 175.55 174.80 2rqb s ILE 940 N -1.26 1.36 -0.16 -3.49 1.01 0.08 -4.84 121.20 113.91 2rqb s ILE 940 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2rqb s ILE 940 Cb -0.10 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2rqb s ILE 940 CO 0.04 0.39 0.12 -0.69 0.00 0.00 0.00 174.94 174.80 2rqb s VAL 941 N -0.13 5.34 -0.04 2.92 1.01 -1.26 -1.02 120.40 127.22 2rqb s VAL 941 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2rqb s VAL 941 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2rqb s VAL 941 CO 0.01 0.53 -0.02 -0.13 0.00 0.00 0.00 175.10 175.49 2rqb s ARG 942 N -0.30 2.82 -0.44 2.72 3.00 -1.21 -5.02 118.95 120.52 2rqb s ARG 942 Ca 0.11 -0.54 -0.27 0.00 0.00 0.00 0.00 55.73 55.02 2rqb s ARG 942 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 34.95 32.13 2rqb s ARG 942 CO 0.01 0.66 1.98 -2.00 0.00 0.00 0.00 175.30 175.95 2rqb s GLU 943 N -1.16 2.86 -0.22 3.54 2.12 -1.26 -4.10 118.70 120.47 2rqb s GLU 943 Ca 0.16 1.24 -0.13 0.00 0.36 0.00 0.00 54.97 56.59 2rqb s GLU 943 Cb -0.11 -4.35 0.07 0.00 0.26 0.00 0.00 34.13 29.99 2rqb s GLU 943 CO 0.05 -2.43 0.54 1.21 -0.54 0.00 0.00 175.26 174.09 2rqb s ASN 944 N 8.13 -0.69 0.00 -1.70 2.47 -1.26 -5.01 114.94 116.87 2rqb s ASN 944 Ca 0.82 1.16 0.23 0.00 0.42 0.00 0.00 52.86 55.48 2rqb s ASN 944 Cb -0.20 1.05 0.08 0.00 -1.45 0.00 0.00 41.25 40.74 2rqb s ASN 944 CO 0.28 -0.21 1.12 2.29 -3.72 0.00 0.00 177.10 176.86 2rqb n LYS 945 N 4.10 0.28 0.13 0.43 2.85 -1.26 -3.99 118.16 120.69 2rqb n LYS 945 Ca -0.21 -0.21 0.09 0.00 -1.05 0.00 0.00 58.31 56.94 2rqb n LYS 945 Cb 0.57 -1.50 0.48 0.00 -0.65 0.00 0.00 35.03 33.93 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 -1.18 1.18 -0.65 0.58 0.00 -1.26 -3.66 120.51 115.52 2rqb n ALA 946 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2rqb n ALA 946 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.12 0.00 -4.58 0.00 7.99 -1.26 -5.03 117.00 112.01 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 0.07 -0.14 0.17 0.00 -0.11 0.00 0.00 43.42 43.42 2rqb n LEU 947 CO 0.10 -0.17 0.45 0.00 -1.51 0.00 0.00 177.39 176.26 2rqb n GLN 948 N -1.78 -0.74 -3.83 3.23 -0.00 -1.24 -5.02 117.38 108.00 2rqb n GLN 948 Ca 0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 57.00 56.72 2rqb n GLN 948 Cb 0.00 -2.22 -0.09 0.00 -0.00 0.00 0.00 30.24 27.93 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 -4.36 0.60 0.00 2.61 1.02 -1.26 -4.77 119.74 113.58 2rqb s LYS 949 Ca 0.65 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2rqb s LYS 949 Cb -0.23 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2rqb s LYS 949 CO 0.61 -0.16 0.12 1.63 -0.92 0.00 0.00 175.35 176.63 2rqb n LYS 950 N 1.18 0.00 -1.54 1.68 4.01 -1.26 -4.57 118.16 117.66 2rqb n LYS 950 Ca -0.21 0.23 -0.27 0.00 -0.51 0.00 0.00 58.31 57.54 2rqb n LYS 950 Cb 0.57 -0.81 -0.08 0.00 -0.51 0.00 0.00 35.03 34.20 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 15.40 -2.82 -0.03 0.00 0.00 -1.26 -5.04 120.51 126.75 2rqb n ALA 952 Ca 0.47 -0.65 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2rqb n ALA 952 Cb 0.41 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.91 2.61 -4.15 0.00 4.64 -1.26 -4.85 116.55 112.63 2rqb n ASP 953 Ca 0.03 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 53.05 2rqb n ASP 953 Cb 0.46 1.00 -0.09 0.00 -1.04 0.00 0.00 41.12 41.45 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 -2.41 3.49 0.13 -0.67 2.02 -1.26 -4.84 117.35 113.81 2rqb s TYR 954 Ca -0.04 -2.39 -0.31 0.00 -0.37 0.00 0.00 57.07 53.95 2rqb s TYR 954 Cb 0.04 -3.35 -0.09 0.00 -0.40 0.00 0.00 41.96 38.17 2rqb s TYR 954 CO 0.41 -0.92 1.45 -1.14 -1.57 0.00 0.00 175.55 173.78 2rqb s GLN 955 N 0.49 4.29 0.21 -0.62 2.00 -1.07 -4.71 119.66 120.25 2rqb s GLN 955 Ca 0.13 2.16 0.08 0.00 -2.00 0.00 0.00 55.36 55.74 2rqb s GLN 955 Cb -0.21 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 2rqb s GLN 955 CO -0.04 -0.49 -0.01 0.42 -0.50 0.00 0.00 175.29 174.67 2rqb s ILE 956 N 1.14 3.57 -0.13 -2.34 -1.09 -1.26 0.19 121.20 121.28 2rqb s ILE 956 Ca 0.66 -1.63 0.17 0.00 -2.23 0.00 0.00 60.65 57.63 2rqb s ILE 956 Cb -0.39 -2.84 -0.23 0.00 -1.58 0.00 0.00 42.46 37.42 2rqb s ILE 956 CO 0.30 -0.21 0.42 0.59 -1.23 0.00 0.00 174.94 174.81 2rqb n ASN 957 N -0.40 0.38 0.00 3.58 5.03 -0.64 -4.69 115.26 118.52 2rqb n ASN 957 Ca -0.09 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.54 2rqb n ASN 957 Cb 0.57 0.71 0.00 0.00 -1.02 0.00 0.00 39.78 40.03 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 1.57 -0.37 3.10 7.41 0.00 -1.26 -4.57 105.19 111.06 2rqb n GLY 958 Ca -0.21 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.58 2.69 0.17 1.61 2.12 -1.26 -3.35 118.70 119.10 2rqb s GLU 959 Ca 0.00 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2rqb s GLU 959 Cb 0.00 -2.30 -0.07 0.00 0.26 0.00 0.00 34.13 32.02 2rqb s GLU 959 CO 0.00 -0.14 1.00 0.96 -0.54 0.00 0.00 175.26 176.54 2rqb s ILE 960 N 1.17 4.17 0.01 -3.70 -4.36 -1.21 -3.34 121.20 113.95 2rqb s ILE 960 Ca -0.00 1.92 0.01 0.00 -0.26 0.00 0.00 60.65 62.32 2rqb s ILE 960 Cb -0.14 -4.22 -0.01 0.00 1.25 0.00 0.00 42.46 39.34 2rqb s ILE 960 CO -0.08 0.35 -0.04 0.27 0.24 0.00 0.00 174.94 175.68 2rqb s ILE 961 N -0.38 0.24 0.65 8.37 -4.36 -0.19 0.13 121.20 125.66 2rqb s ILE 961 Ca 0.46 -0.48 -0.11 0.00 -0.26 0.00 0.00 60.65 60.26 2rqb s ILE 961 Cb -0.26 -0.28 0.17 0.00 1.25 0.00 0.00 42.46 43.34 2rqb s ILE 961 CO 0.32 -0.16 0.43 0.00 0.24 0.00 0.00 174.94 175.78 2rqb h LYS 963 N 0.00 -0.20 -0.98 0.00 1.79 -1.92 -1.82 116.57 113.45 2rqb h LYS 963 Ca -0.19 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.39 2rqb h LYS 963 Cb 0.61 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.23 2rqb h LYS 963 CO 0.11 -0.13 0.62 0.00 -1.08 0.00 0.00 179.45 178.98 2rqb n GLY 965 N -1.35 1.42 3.58 0.00 0.00 -0.68 -5.11 105.19 103.04 2rqb n GLY 965 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.77 -0.77 1.61 2.00 -1.26 -4.71 119.66 120.30 2rqb s GLN 966 Ca 0.00 -0.07 -0.26 0.00 -2.00 0.00 0.00 55.36 53.03 2rqb s GLN 966 Cb 0.00 -3.75 -0.16 0.00 0.80 0.00 0.00 33.01 29.89 2rqb s GLN 966 CO 0.00 -0.51 2.49 0.00 -0.50 0.00 0.00 175.29 176.77 2rqb n ALA 967 N 5.58 0.59 0.16 1.58 0.00 -1.26 -0.96 120.51 126.20 2rqb n ALA 967 Ca -0.06 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.65 2rqb n ALA 967 Cb 0.49 -2.79 0.25 0.00 0.00 0.00 0.00 19.45 17.40 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 15.02 0.00 0.00 0.00 6.55 -0.64 -3.43 115.95 133.45 2rqb h TRP 968 Ca -0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.73 2rqb h TRP 968 Cb 1.23 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.53 2rqb h TRP 968 CO 1.08 0.51 0.00 0.41 -1.05 0.00 0.00 178.44 179.39 2rqb n GLY 969 N 0.16 -0.56 3.38 1.49 0.00 -1.12 0.70 105.19 109.23 2rqb n GLY 969 Ca -0.01 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.04 -0.59 2.61 -4.23 0.57 -3.29 115.64 110.74 2rqb s THR 970 Ca 0.00 -0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.08 2rqb s THR 970 Cb 0.00 -1.00 0.15 0.00 1.34 0.00 0.00 72.50 72.98 2rqb s THR 970 CO 0.00 -0.16 0.52 -0.32 -0.54 0.00 0.00 174.62 174.12 2rqb s MET 971 N -2.78 3.00 0.30 3.99 1.75 -1.21 0.21 119.30 124.56 2rqb s MET 971 Ca -0.03 -1.91 -0.23 0.00 -1.25 0.00 0.00 55.69 52.26 2rqb s MET 971 Cb -0.00 -4.23 -0.09 0.00 2.84 0.00 0.00 34.83 33.34 2rqb s MET 971 CO -0.04 -1.29 0.87 -1.64 -0.65 0.00 0.00 175.02 172.26 2rqb s MET 972 N 1.18 4.41 0.04 4.11 -1.94 -0.44 -1.62 119.30 125.04 2rqb s MET 972 Ca 0.07 1.12 0.06 0.00 -1.71 0.00 0.00 55.69 55.24 2rqb s MET 972 Cb -0.25 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 2rqb s MET 972 CO -0.01 0.27 -0.18 0.08 -0.01 0.00 0.00 175.02 175.17 2rqb s VAL 973 N -1.67 1.46 -0.32 -6.03 1.01 0.50 -0.87 120.40 114.48 2rqb s VAL 973 Ca 0.50 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2rqb s VAL 973 Cb -0.16 -1.28 0.11 0.00 0.00 0.00 0.00 36.38 35.04 2rqb s VAL 973 CO 0.21 0.14 0.12 -2.28 0.00 0.00 0.00 175.10 173.30 2rqb s HIS 974 N -0.80 1.39 -2.14 5.22 5.04 -1.17 -2.58 115.29 120.25 2rqb s HIS 974 Ca 0.05 -1.61 0.00 0.00 -1.54 0.00 0.00 55.06 51.96 2rqb s HIS 974 Cb -0.08 -1.52 0.00 0.00 0.04 0.00 0.00 32.58 31.02 2rqb s HIS 974 CO 0.01 -0.86 0.00 1.63 -2.34 0.00 0.00 174.74 173.19 2rqb n LYS 975 N 4.78 -1.41 0.00 2.88 5.02 -1.26 -0.62 118.16 127.55 2rqb n LYS 975 Ca -0.01 1.21 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 2rqb n LYS 975 Cb 0.41 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -0.50 1.14 3.88 0.72 0.00 -1.26 -4.92 105.19 104.25 2rqb n GLY 976 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 2.84 -0.28 0.99 2.96 0.21 -5.06 118.68 120.35 2rqb s LEU 977 Ca 0.00 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 2rqb s LEU 977 Cb 0.00 -3.89 0.07 0.00 0.50 0.00 0.00 46.19 42.87 2rqb s LEU 977 CO 0.00 -1.45 -0.04 1.51 -1.32 0.00 0.00 176.35 175.06 2rqb s ASP 978 N -4.32 4.32 -0.34 3.68 -4.77 -1.26 -3.04 116.67 110.94 2rqb s ASP 978 Ca 0.59 -1.54 -0.01 0.00 -3.30 0.00 0.00 52.55 48.29 2rqb s ASP 978 Cb -0.11 -1.41 0.11 0.00 -1.09 0.00 0.00 42.92 40.42 2rqb s ASP 978 CO 0.52 -0.27 0.15 -0.76 0.70 0.00 0.00 175.17 175.51 2rqb s LEU 979 N 1.18 1.91 -0.23 2.11 1.02 -0.04 -4.91 118.68 119.71 2rqb s LEU 979 Ca -0.02 -1.86 -0.29 0.00 0.02 0.00 0.00 54.13 51.98 2rqb s LEU 979 Cb -0.19 -0.76 -0.01 0.00 0.02 0.00 0.00 46.19 45.25 2rqb s LEU 979 CO -0.07 -0.38 1.31 -2.16 0.02 0.00 0.00 176.35 175.07 2rqb s PRO 980 N 1.36 4.04 -0.48 1.29 0.04 -1.26 -1.33 135.00 138.67 2rqb s PRO 980 Ca 0.12 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2rqb s PRO 980 Cb -0.19 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.57 2rqb s PRO 980 CO -0.18 -0.96 0.46 0.00 0.04 0.00 0.00 177.00 176.36 2rqb s LEU 982 N 1.93 3.24 -0.10 0.00 1.02 -1.26 -0.32 118.68 123.20 2rqb s LEU 982 Ca 0.07 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.76 2rqb s LEU 982 Cb -0.22 -3.35 0.02 0.00 0.02 0.00 0.00 46.19 42.66 2rqb s LEU 982 CO 0.08 -1.09 -0.08 -0.54 0.02 0.00 0.00 176.35 174.74 2rqb s LYS 983 N -4.93 1.54 0.62 1.70 1.02 0.22 -4.88 119.74 115.03 2rqb s LYS 983 Ca 0.54 -0.28 0.40 0.00 0.02 0.00 0.00 55.97 56.65 2rqb s LYS 983 Cb -0.10 -1.53 2.16 0.00 -0.52 0.00 0.00 37.83 37.83 2rqb s LYS 983 CO 0.43 -0.21 2.21 0.82 -0.92 0.00 0.00 175.35 177.69 2rqb h ILE 984 N 6.14 0.00 0.00 2.17 2.04 -1.85 0.42 117.51 126.43 2rqb h ILE 984 Ca -0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2rqb h ILE 984 Cb 1.14 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2rqb h ILE 984 CO 0.42 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.46 2rqb n ARG 985 N -2.94 0.21 0.00 2.37 1.85 0.97 -1.91 116.66 117.21 2rqb n ARG 985 Ca -0.03 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 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 -1.33 0.70 -3.72 2.89 3.02 0.14 -4.99 115.26 111.98 2rqb n ASN 986 Ca 0.08 -0.93 -0.21 0.00 -0.03 0.00 0.00 54.58 53.48 2rqb n ASN 986 Cb 0.15 0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.09 0.70 -4.13 3.10 3.01 -0.80 -0.97 117.46 118.28 2rqb n PHE 987 Ca 0.00 -1.72 -0.09 0.00 1.01 0.00 0.00 57.45 56.65 2rqb n PHE 987 Cb 0.05 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.22 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 -2.30 0.37 -0.16 -4.37 1.01 -0.35 -4.47 120.40 110.13 2rqb s VAL 988 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.14 2rqb s VAL 988 Cb 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2rqb s VAL 988 CO 0.02 -0.89 -0.15 -0.69 0.00 0.00 0.00 175.10 173.38 2rqb s VAL 989 N -3.83 1.66 -0.19 2.92 1.01 -0.08 -1.25 120.40 120.63 2rqb s VAL 989 Ca 0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2rqb s VAL 989 Cb 0.07 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2rqb s VAL 989 CO -0.07 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 2rqb s VAL 990 N 1.45 3.06 0.07 2.92 1.01 -1.02 0.30 120.40 128.19 2rqb s VAL 990 Ca 0.05 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2rqb s VAL 990 Cb -0.13 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2rqb s VAL 990 CO -0.11 0.47 0.76 -0.36 0.00 0.00 0.00 175.10 175.86 2rqb s PHE 991 N 1.17 3.78 -0.10 5.22 0.08 -1.07 -2.53 117.98 124.52 2rqb s PHE 991 Ca 0.02 1.50 -0.16 0.00 0.12 0.00 0.00 56.93 58.41 2rqb s PHE 991 Cb -0.14 -2.80 -0.27 0.00 -0.57 0.00 0.00 43.02 39.24 2rqb s PHE 991 CO -0.03 0.33 0.56 -0.22 -0.10 0.00 0.00 175.22 175.77 2rqb h LYS 992 N 5.35 0.24 -0.95 0.44 3.64 -0.18 -3.36 116.57 121.75 2rqb h LYS 992 Ca -0.45 -0.42 0.16 0.00 -1.27 0.00 0.00 60.65 58.67 2rqb h LYS 992 Cb 1.21 0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 992 CO 0.70 1.20 -0.36 -0.91 -2.27 0.00 0.00 179.45 177.81 2rqb h ASN 993 N -0.30 -1.32 -4.28 4.20 -0.26 -1.94 -3.39 115.58 108.28 2rqb h ASN 993 Ca -0.30 0.30 -0.55 0.00 -0.56 0.00 0.00 56.30 55.19 2rqb h ASN 993 Cb 1.76 0.71 -0.25 0.00 -1.06 0.00 0.00 38.32 39.48 2rqb h ASN 993 CO 0.06 -0.30 -0.83 0.54 -1.06 0.00 0.00 177.43 175.85 2rqb s ASN 994 N -5.32 2.28 -0.89 5.81 4.22 -1.26 -4.86 114.94 114.92 2rqb s ASN 994 Ca -0.14 -0.51 -0.25 0.00 -2.14 0.00 0.00 52.86 49.82 2rqb s ASN 994 Cb 0.21 -0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.52 2rqb s ASN 994 CO 0.72 0.12 1.93 -0.44 -2.04 0.00 0.00 177.10 177.40 2rqb s SER 995 N -1.20 5.18 0.18 3.54 0.01 -1.26 -4.45 113.70 115.69 2rqb s SER 995 Ca 0.06 -0.63 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 2rqb s SER 995 Cb -0.09 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.62 2rqb s SER 995 CO 0.02 -2.70 0.52 -0.89 0.41 0.00 0.00 173.24 170.60 2rqb s THR 996 N 9.92 0.03 -0.12 1.44 2.01 -1.26 -5.08 115.64 122.59 2rqb s THR 996 Ca 0.69 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 2rqb s THR 996 Cb -0.07 -1.39 0.04 0.00 0.01 0.00 0.00 72.50 71.09 2rqb s THR 996 CO 0.00 -0.13 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.05 2rqb s LYS 997 N -3.84 0.82 -0.15 4.92 2.20 -1.26 -2.60 119.74 119.83 2rqb s LYS 997 Ca 0.06 -0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 2rqb s LYS 997 Cb -0.01 -1.44 -0.03 0.00 -1.51 0.00 0.00 37.83 34.84 2rqb s LYS 997 CO -0.06 -0.40 0.01 0.15 -0.36 0.00 0.00 175.35 174.69 2rqb s LYS 998 N 1.88 3.66 -0.33 4.03 3.01 0.15 -5.00 119.74 127.14 2rqb s LYS 998 Ca 0.03 -0.43 -0.07 0.00 -1.01 0.00 0.00 55.97 54.49 2rqb s LYS 998 Cb -0.14 -3.00 0.03 0.00 -1.01 0.00 0.00 37.83 33.71 2rqb s LYS 998 CO -0.07 0.34 0.10 -1.14 0.51 0.00 0.00 175.35 175.10 2rqb s GLN 999 N 0.12 2.76 0.04 1.68 0.74 -1.26 -0.91 119.66 122.84 2rqb s GLN 999 Ca 0.02 -1.08 0.01 0.00 0.05 0.00 0.00 55.36 54.35 2rqb s GLN 999 Cb -0.13 -3.45 0.01 0.00 1.10 0.00 0.00 33.01 30.54 2rqb s GLN 999 CO 0.02 -0.60 0.05 0.66 -0.55 0.00 0.00 175.29 174.86 2rqb n TYR 1000N 4.84 -2.51 0.00 1.67 4.02 -1.26 -5.03 117.16 118.89 2rqb n TYR 1000Ca -0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2rqb n TYR 1000Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.95 0.00 -4.42 -0.72 2.85 -1.26 -4.22 118.16 109.44 2rqb n LYS 1001Ca 0.01 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2rqb n LYS 1001Cb 0.04 -0.46 -0.11 0.00 -0.65 0.00 0.00 35.03 33.85 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 -1.87 1.53 0.48 -1.58 1.02 -1.26 -0.02 119.74 118.04 2rqb s LYS 1002Ca 0.00 -1.58 0.25 0.00 0.02 0.00 0.00 55.97 54.66 2rqb s LYS 1002Cb 0.00 -1.75 1.20 0.00 -0.52 0.00 0.00 37.83 36.76 2rqb s LYS 1002CO 0.00 0.36 1.96 -1.49 -0.92 0.00 0.00 175.35 175.26 2rqb h TRP 1003N 2.94 0.00 0.00 3.18 4.06 -1.96 -1.48 115.95 122.69 2rqb h TRP 1003Ca -0.44 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 2rqb h TRP 1003Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2rqb h TRP 1003CO 0.72 0.18 -0.14 -0.24 -3.56 0.00 0.00 178.44 175.41 2rqb h VAL 1004N 0.00 1.08 0.00 1.49 3.04 -1.99 0.30 116.25 120.17 2rqb h VAL 1004Ca -0.00 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 2rqb h VAL 1004Cb 0.52 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2rqb h VAL 1004CO 0.02 0.13 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.31 2rqb h GLU 1005N 0.00 0.00 -6.27 4.17 4.39 -1.68 -3.42 114.58 111.77 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 0.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2rqb h GLU 1005CO 0.02 0.08 1.20 -1.17 -1.16 0.00 0.00 179.01 177.97 2rqb s LEU 1006N -6.40 3.76 0.00 1.33 2.96 0.09 -4.83 118.68 115.59 2rqb s LEU 1006Ca 0.01 1.57 0.24 0.00 -0.22 0.00 0.00 54.13 55.73 2rqb s LEU 1006Cb 0.09 -3.53 1.36 0.00 0.50 0.00 0.00 46.19 44.61 2rqb s LEU 1006CO 0.58 -1.44 1.78 -0.81 -1.32 0.00 0.00 176.35 175.15 2rqb n PRO 1007N 7.97 0.64 -3.10 0.98 -0.04 -1.26 -4.73 135.00 135.46 2rqb n PRO 1007Ca 0.21 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.29 2rqb n PRO 1007Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.15 4.93 0.21 0.52 1.09 -1.26 -4.84 121.20 119.70 2rqb s ILE 1008Ca 0.32 1.39 -0.30 0.00 -1.10 0.00 0.00 60.65 60.97 2rqb s ILE 1008Cb 0.16 -4.01 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 2rqb s ILE 1008CO 0.30 0.34 1.06 -0.89 -0.10 0.00 0.00 174.94 175.64 2rqb s THR 1009N 0.24 3.85 0.35 2.92 2.01 -1.20 -4.98 115.64 118.82 2rqb s THR 1009Ca 0.35 1.71 0.08 0.00 0.31 0.00 0.00 61.69 64.14 2rqb s THR 1009Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2rqb s THR 1009CO 0.19 0.34 0.13 -0.36 -0.69 0.00 0.00 174.62 174.23 2rqb s PHE 1010N -0.66 2.68 0.00 4.92 0.40 -1.26 -4.49 117.98 119.57 2rqb s PHE 1010Ca 0.46 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 2rqb s PHE 1010Cb -0.29 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2rqb s PHE 1010CO 0.36 0.34 0.00 -0.35 0.70 0.00 0.00 175.22 176.26 2rqb n PRO 1011N -1.14 0.24 -3.42 0.24 -0.04 -1.26 -5.03 135.00 124.60 2rqb n PRO 1011Ca -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2rqb n PRO 1011Cb 0.62 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 1.32 -0.20 3.54 0.01 -1.26 -4.21 114.94 112.88 2rqb s ASN 1012Ca 0.00 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.74 2rqb s ASN 1012Cb 0.00 0.59 0.03 0.00 0.41 0.00 0.00 41.25 42.28 2rqb s ASN 1012CO 0.00 -0.36 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.84 2rqb s LEU 1013N 2.39 2.42 -0.50 0.60 0.20 0.06 -4.90 118.68 118.97 2rqb s LEU 1013Ca 0.09 -0.82 -0.16 0.00 0.69 0.00 0.00 54.13 53.94 2rqb s LEU 1013Cb -0.15 -1.49 0.09 0.00 -0.43 0.00 0.00 46.19 44.21 2rqb s LEU 1013CO -0.24 -0.04 0.44 -1.81 -0.29 0.00 0.00 176.35 174.40 2rqb s ASP 1014N 1.25 6.16 0.30 3.68 1.01 -1.26 -4.15 116.67 123.66 2rqb s ASP 1014Ca 0.02 -1.47 0.04 0.00 0.71 0.00 0.00 52.55 51.85 2rqb s ASP 1014Cb -0.15 -2.20 0.64 0.00 1.01 0.00 0.00 42.92 42.23 2rqb s ASP 1014CO -0.11 -0.72 1.83 0.10 0.21 0.00 0.00 175.17 176.47 2rqb h TYR 1015N 8.81 1.08 -0.40 4.23 -0.00 -1.96 0.27 116.97 129.00 2rqb h TYR 1015Ca -0.29 0.03 0.12 0.00 0.00 0.00 0.00 58.73 58.59 2rqb h TYR 1015Cb 1.11 -0.34 -0.02 0.00 0.00 0.00 0.00 36.73 37.48 2rqb h TYR 1015CO 0.67 0.38 0.56 1.03 -0.00 0.00 0.00 178.16 180.80 2rqb h SER 1016N 0.89 0.00 -0.95 0.10 0.87 -2.02 -1.50 113.55 110.95 2rqb h SER 1016Ca 0.51 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 61.31 2rqb h SER 1016Cb 0.62 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.41 2rqb h SER 1016CO -0.28 0.00 -0.05 -0.62 -0.53 0.00 0.00 176.83 175.35 2rqb n GLU 1017N -3.41 -0.08 -3.31 2.24 -0.58 0.95 -3.76 120.64 112.70 2rqb n GLU 1017Ca 0.07 1.44 -0.39 0.00 -0.42 0.00 0.00 57.16 57.86 2rqb n GLU 1017Cb 0.72 -2.24 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqb h LEU 1020N 0.18 -0.00 -1.76 0.00 -0.00 -1.93 -3.25 115.31 108.55 2rqb h LEU 1020Ca -0.01 0.00 0.52 0.00 -0.00 0.00 0.00 57.88 58.39 2rqb h LEU 1020Cb 1.06 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.65 2rqb h LEU 1020CO 0.00 0.00 1.26 0.49 -0.00 0.00 0.00 178.44 180.20 2rqb n PHE 1021N -2.04 0.04 -1.34 1.13 3.72 -1.26 -4.43 117.46 113.29 2rqb n PHE 1021Ca -0.00 0.04 -0.53 0.00 -0.05 0.00 0.00 57.45 56.91 2rqb n PHE 1021Cb 0.00 -0.49 -0.13 0.00 -0.94 0.00 0.00 39.48 37.92 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 -3.79 0.69 0.00 4.37 2.88 -1.23 -4.67 113.62 111.87 2rqb n SER 1022Ca 0.40 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2rqb n SER 1022Cb 1.81 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 2rqb n SER 1022CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqb n ASP 1023N 8.66 3.21 -4.44 -3.46 2.03 -1.26 -5.06 116.55 116.23 2rqb n ASP 1023Ca 0.58 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.60 2rqb n ASP 1023Cb 0.00 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.62 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rqb s GLU 1024N -1.99 -0.53 0.00 -0.67 2.02 -1.26 -5.27 118.70 111.00 2rqb s GLU 1024Ca 0.00 0.50 0.32 0.00 0.02 0.00 0.00 54.97 55.80 2rqb s GLU 1024Cb 0.00 -1.63 1.82 0.00 0.10 0.00 0.00 34.13 34.42 2rqb s GLU 1024CO 0.00 -3.37 2.18 -0.25 0.02 0.00 0.00 175.26 173.84