#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqj s GLU 895 N nan 3.97 0.53 0.00 2.12 -1.26 -5.03 118.70 nan 1nqj s GLU 895 Ca nan -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 nan 1nqj s GLU 895 Cb nan -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 nan 1nqj s GLU 895 CO nan -0.15 1.04 0.15 -0.54 0.00 0.00 175.26 nan 1nqj s LYS 896 N 1.68 3.63 0.18 4.30 3.01 -1.26 -4.91 119.74 126.38 1nqj s LYS 896 Ca 0.08 1.26 -0.13 0.00 -1.01 0.00 0.00 55.97 56.17 1nqj s LYS 896 Cb -0.16 -2.08 0.16 0.00 -1.01 0.00 0.00 37.83 34.75 1nqj s LYS 896 CO 0.10 -0.56 1.77 1.25 0.51 0.00 0.00 175.35 178.42 1nqj h LEU 897 N 1.07 0.27 -1.92 3.17 5.85 -2.00 -1.25 115.31 120.49 1nqj h LEU 897 Ca -0.48 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1nqj h LEU 897 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1nqj h LEU 897 CO 0.59 0.19 0.03 0.11 -0.34 0.00 0.00 178.44 179.01 1nqj h LYS 898 N 0.42 0.08 -0.15 1.25 1.79 -1.99 -0.23 116.57 117.75 1nqj h LYS 898 Ca 0.23 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.52 1nqj h LYS 898 Cb 0.20 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1nqj h LYS 898 CO -0.20 0.06 -0.64 1.49 -1.08 0.00 0.00 179.45 179.08 1nqj h GLU 899 N 0.08 0.54 -0.54 3.15 4.81 -1.62 0.22 114.58 121.23 1nqj h GLU 899 Ca 0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1nqj h GLU 899 Cb 0.01 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1nqj h GLU 899 CO -0.00 1.00 0.35 0.87 -0.73 0.00 0.00 179.01 180.50 1nqj h LYS 900 N 0.39 0.71 -0.36 1.92 1.57 -0.85 0.00 116.57 119.96 1nqj h LYS 900 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1nqj h LYS 900 Cb 1.21 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1nqj h LYS 900 CO 0.12 0.48 0.09 0.93 -0.57 0.00 0.00 179.45 180.50 1nqj h GLU 901 N 0.73 0.57 -0.19 3.15 5.08 -0.86 -1.46 114.58 121.60 1nqj h GLU 901 Ca 0.20 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1nqj h GLU 901 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1nqj h GLU 901 CO -0.04 0.61 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.27 1nqj h ASN 902 N 0.42 0.46 -0.77 1.42 2.35 -0.82 -0.97 115.58 117.66 1nqj h ASN 902 Ca 0.11 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1nqj h ASN 902 Cb 0.30 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1nqj h ASN 902 CO 0.00 0.81 0.39 0.78 -1.65 0.00 0.00 177.43 177.77 1nqj h ASN 903 N 0.36 1.01 -0.77 5.81 2.35 -0.86 0.42 115.58 123.89 1nqj h ASN 903 Ca 0.03 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1nqj h ASN 903 Cb 0.87 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1nqj h ASN 903 CO 0.07 0.84 0.27 0.44 -1.65 0.00 0.00 177.43 177.41 1nqj h ASP 904 N 1.11 1.09 -0.52 5.81 3.32 -0.89 -0.53 116.42 125.81 1nqj h ASP 904 Ca 0.27 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1nqj h ASP 904 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1nqj h ASP 904 CO -0.04 0.99 -0.01 0.28 -1.72 0.00 0.00 179.24 178.74 1nqj h SER 905 N 1.13 0.91 -0.66 6.45 0.02 -0.60 -2.57 113.55 118.23 1nqj h SER 905 Ca 0.25 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1nqj h SER 905 Cb 0.26 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1nqj h SER 905 CO -0.01 1.00 0.22 -1.28 -1.14 0.00 0.00 176.83 175.61 1nqj h SER 906 N 0.79 0.97 -0.82 3.07 0.87 -0.73 -2.18 113.55 115.52 1nqj h SER 906 Ca 0.15 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1nqj h SER 906 Cb 0.54 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1nqj h SER 906 CO 0.03 0.90 0.52 0.44 -0.53 0.00 0.00 176.83 178.19 1nqj h ASP 907 N 1.00 0.86 1.22 6.23 3.32 -0.85 -3.00 116.42 125.20 1nqj h ASP 907 Ca 0.22 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1nqj h ASP 907 Cb 0.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1nqj h ASP 907 CO -0.01 0.59 -0.80 0.11 -1.72 0.00 0.00 179.24 177.41 1nqj h LYS 908 N 1.01 0.00 -6.77 3.56 1.57 -1.17 -3.48 116.57 111.29 1nqj h LYS 908 Ca 0.33 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.62 1nqj h LYS 908 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1nqj h LYS 908 CO -0.12 0.59 0.37 0.00 -0.57 0.00 0.00 179.45 179.72 1nqj s ALA 909 N -2.88 3.33 -0.21 3.86 0.00 -0.85 -4.66 121.76 120.35 1nqj s ALA 909 Ca 0.02 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 1nqj s ALA 909 Cb 0.08 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1nqj s ALA 909 CO 0.78 0.15 0.86 -0.08 0.00 0.00 0.00 175.76 177.48 1nqj s THR 910 N -1.22 4.83 0.01 0.00 -1.32 0.09 -4.85 115.64 113.16 1nqj s THR 910 Ca 0.42 1.67 -0.30 0.00 -1.21 0.00 0.00 61.69 62.27 1nqj s THR 910 Cb -0.26 -4.16 -0.05 0.00 -1.51 0.00 0.00 72.50 66.52 1nqj s THR 910 CO 0.32 -0.05 1.32 -0.69 -2.21 0.00 0.00 174.62 173.31 1nqj s VAL 911 N 2.63 3.85 -0.42 5.08 1.01 -1.26 -1.53 120.40 129.77 1nqj s VAL 911 Ca 0.38 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1nqj s VAL 911 Cb -0.16 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1nqj s VAL 911 CO 0.09 0.02 0.83 -0.63 0.00 0.00 0.00 175.10 175.41 1nqj s ILE 912 N 2.04 4.63 0.36 2.22 1.01 0.10 -4.91 121.20 126.65 1nqj s ILE 912 Ca 0.61 0.72 0.13 0.00 0.00 0.00 0.00 60.65 62.11 1nqj s ILE 912 Cb -0.30 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 37.94 1nqj s ILE 912 CO 0.26 -0.63 1.80 1.55 0.00 0.00 0.00 174.94 177.92 1nqj h PRO 913 N 8.79 0.00 -3.31 2.79 0.13 -1.94 -3.44 132.00 135.02 1nqj h PRO 913 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1nqj h PRO 913 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1nqj h PRO 913 CO 0.96 0.40 -0.11 -0.80 -0.23 0.00 0.00 178.00 178.22 1nqj s ASN 914 N -6.90 -0.22 1.05 1.44 -0.87 -1.26 -5.02 114.94 103.16 1nqj s ASN 914 Ca -0.03 -0.24 -0.12 0.00 -1.57 0.00 0.00 52.86 50.90 1nqj s ASN 914 Cb 0.14 0.45 0.22 0.00 -0.02 0.00 0.00 41.25 42.03 1nqj s ASN 914 CO 0.73 -0.78 1.07 -0.36 -2.57 0.00 0.00 177.10 175.19 1nqj s PHE 915 N -3.37 1.68 -1.46 2.20 0.40 -1.26 -3.98 117.98 112.20 1nqj s PHE 915 Ca 0.00 1.28 -0.09 0.00 -0.60 0.00 0.00 56.93 57.52 1nqj s PHE 915 Cb 0.01 -3.17 0.06 0.00 0.51 0.00 0.00 43.02 40.42 1nqj s PHE 915 CO -0.09 -3.27 0.89 0.09 0.70 0.00 0.00 175.22 173.54 1nqj n ASN 916 N -4.50 -3.61 -3.75 1.36 3.02 0.04 -4.95 115.26 102.87 1nqj n ASN 916 Ca 0.06 -0.79 -0.23 0.00 -0.03 0.00 0.00 54.58 53.59 1nqj n ASN 916 Cb 0.54 -3.94 -0.18 0.00 -0.61 0.00 0.00 39.78 35.60 1nqj n ASN 916 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nqj s THR 917 N -3.43 0.29 -0.01 3.41 2.01 -1.26 -5.04 115.64 111.62 1nqj s THR 917 Ca 0.44 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1nqj s THR 917 Cb -0.22 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1nqj s THR 917 CO 0.82 0.24 1.21 -0.89 -0.69 0.00 0.00 174.62 175.31 1nqj s THR 918 N 2.01 4.15 -0.17 -0.82 2.01 -1.26 -4.43 115.64 117.12 1nqj s THR 918 Ca 0.05 1.51 -0.08 0.00 0.31 0.00 0.00 61.69 63.48 1nqj s THR 918 Cb -0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1nqj s THR 918 CO -0.05 0.04 0.09 -0.04 -0.69 0.00 0.00 174.62 173.97 1nqj s MET 919 N 1.81 3.90 -0.18 4.92 -1.94 0.55 -4.94 119.30 123.43 1nqj s MET 919 Ca 0.57 -0.28 -0.16 0.00 -1.71 0.00 0.00 55.69 54.11 1nqj s MET 919 Cb -0.27 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1nqj s MET 919 CO 0.25 0.38 0.40 -0.65 -0.01 0.00 0.00 175.02 175.40 1nqj s GLN 920 N 0.08 4.21 0.29 2.03 -1.52 -1.26 -0.85 119.66 122.64 1nqj s GLN 920 Ca 0.07 0.24 -0.02 0.00 -1.95 0.00 0.00 55.36 53.70 1nqj s GLN 920 Cb -0.12 -3.51 -0.01 0.00 -0.22 0.00 0.00 33.01 29.15 1nqj s GLN 920 CO 0.00 0.02 0.36 0.20 -0.25 0.00 0.00 175.29 175.62 1nqj s GLY 921 N 0.92 1.48 0.05 3.09 0.00 -0.87 -5.02 107.32 106.97 1nqj s GLY 921 Ca 0.20 -1.56 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 1nqj s GLY 921 CO 0.08 -1.11 0.36 -1.35 0.00 0.00 0.00 173.10 171.08 1nqj s SER 922 N -3.21 -0.21 -0.54 1.64 1.04 -1.26 -1.50 113.70 109.66 1nqj s SER 922 Ca 0.33 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1nqj s SER 922 Cb 0.02 0.40 0.24 0.00 0.10 0.00 0.00 66.02 66.78 1nqj s SER 922 CO 0.18 -0.65 0.64 0.18 0.98 0.00 0.00 173.24 174.57 1nqj n LEU 923 N 0.50 2.22 -4.77 2.42 4.77 0.19 -4.89 117.00 117.44 1nqj n LEU 923 Ca -0.18 -5.11 -0.36 0.00 -0.03 0.00 0.00 56.01 50.32 1nqj n LEU 923 Cb 0.60 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1nqj n LEU 923 CO 0.20 2.05 -0.12 -0.76 -1.33 0.00 0.00 177.39 177.43 1nqj s LEU 924 N -1.87 4.27 0.00 2.23 1.43 -1.22 -2.69 118.68 120.84 1nqj s LEU 924 Ca 0.37 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1nqj s LEU 924 Cb 0.15 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1nqj s LEU 924 CO -0.06 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1nqj n GLY 925 N 3.06 3.22 0.13 -3.19 0.00 -1.26 -1.96 105.19 105.19 1nqj n GLY 925 Ca -0.16 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1nqj n GLY 925 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nqj n ASP 926 N 4.76 0.41 -4.52 1.61 5.68 -1.26 -4.49 116.55 118.73 1nqj n ASP 926 Ca 0.00 -1.50 -0.42 0.00 -0.50 0.00 0.00 54.79 52.38 1nqj n ASP 926 Cb 0.00 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 1nqj n ASP 926 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nqj s ASP 927 N -1.57 6.47 -0.00 -1.12 2.15 -0.83 -4.80 116.67 116.97 1nqj s ASP 927 Ca 0.29 -1.45 0.21 0.00 0.43 0.00 0.00 52.55 52.03 1nqj s ASP 927 Cb 0.14 -2.52 -0.23 0.00 -0.30 0.00 0.00 42.92 40.01 1nqj s ASP 927 CO 0.22 -1.43 0.88 -1.54 -0.17 0.00 0.00 175.17 173.13 1nqj n SER 928 N 8.28 0.96 -3.80 -0.34 3.41 -1.26 -3.44 113.62 117.42 1nqj n SER 928 Ca 0.25 -0.96 -0.13 0.00 -0.26 0.00 0.00 58.87 57.76 1nqj n SER 928 Cb 0.50 1.04 -0.15 0.00 -0.26 0.00 0.00 64.21 65.34 1nqj n SER 928 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nqj s ARG 929 N -3.01 0.03 0.00 4.33 0.52 -1.26 -1.67 118.95 117.89 1nqj s ARG 929 Ca 0.07 0.17 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 1nqj s ARG 929 Cb 0.16 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.50 1nqj s ARG 929 CO 0.87 -0.09 -0.23 -0.51 0.02 0.00 0.00 175.30 175.36 1nqj s ASP 930 N 0.62 2.67 -0.11 0.23 1.01 0.53 -5.00 116.67 116.61 1nqj s ASP 930 Ca -0.05 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.78 1nqj s ASP 930 Cb -0.07 -0.27 -0.01 0.00 1.01 0.00 0.00 42.92 43.58 1nqj s ASP 930 CO -0.02 0.25 -0.19 -0.31 0.21 0.00 0.00 175.17 175.11 1nqj s TYR 931 N -0.62 2.66 0.21 4.23 1.51 -1.26 -0.95 117.35 123.13 1nqj s TYR 931 Ca 0.09 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1nqj s TYR 931 Cb -0.09 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1nqj s TYR 931 CO 0.00 -0.28 0.01 0.71 -1.11 0.00 0.00 175.55 174.88 1nqj s TYR 932 N 0.23 1.44 0.05 2.71 1.51 0.01 -0.73 117.35 122.57 1nqj s TYR 932 Ca -0.12 -0.98 -0.06 0.00 -1.01 0.00 0.00 57.07 54.89 1nqj s TYR 932 Cb -0.16 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1nqj s TYR 932 CO 0.07 -0.13 0.11 -1.54 -1.11 0.00 0.00 175.55 172.94 1nqj s SER 933 N -3.26 0.21 0.19 2.29 1.04 -0.58 -0.85 113.70 112.73 1nqj s SER 933 Ca 0.28 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1nqj s SER 933 Cb 0.06 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1nqj s SER 933 CO 0.08 -0.59 0.41 0.72 0.98 0.00 0.00 173.24 174.83 1nqj s PHE 934 N -3.21 0.16 -0.08 5.02 -0.12 -0.60 -0.73 117.98 118.41 1nqj s PHE 934 Ca 0.00 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.40 1nqj s PHE 934 Cb 0.02 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1nqj s PHE 934 CO -0.07 -0.84 -0.19 -1.21 -0.05 0.00 0.00 175.22 172.85 1nqj s GLU 935 N -3.93 2.47 -0.20 1.99 2.02 -1.26 -0.88 118.70 118.91 1nqj s GLU 935 Ca 0.14 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.34 1nqj s GLU 935 Cb 0.01 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1nqj s GLU 935 CO -0.00 0.14 0.12 0.08 0.02 0.00 0.00 175.26 175.61 1nqj s VAL 936 N 0.42 5.32 -0.18 2.63 1.01 0.16 -4.96 120.40 124.79 1nqj s VAL 936 Ca -0.16 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1nqj s VAL 936 Cb -0.17 -3.42 -0.22 0.00 0.00 0.00 0.00 36.38 32.57 1nqj s VAL 936 CO 0.07 0.44 0.11 0.29 0.00 0.00 0.00 175.10 176.01 1nqj n LYS 937 N 3.52 0.69 -4.72 2.72 5.02 -1.26 -1.12 118.16 123.01 1nqj n LYS 937 Ca -0.16 0.18 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1nqj n LYS 937 Cb 0.52 -1.61 -0.17 0.00 -0.02 0.00 0.00 35.03 33.75 1nqj n LYS 937 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nqj s GLU 938 N -2.54 2.64 0.24 1.97 2.02 -1.26 -4.72 118.70 117.06 1nqj s GLU 938 Ca -0.24 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 53.73 1nqj s GLU 938 Cb 0.08 -2.12 -0.14 0.00 0.10 0.00 0.00 34.13 32.04 1nqj s GLU 938 CO 0.72 0.02 1.28 -1.91 0.02 0.00 0.00 175.26 175.38 1nqj n GLU 939 N 3.96 1.74 0.00 1.61 2.13 -1.26 -4.76 120.64 124.07 1nqj n GLU 939 Ca -0.20 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1nqj n GLU 939 Cb 0.52 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1nqj n GLU 939 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqj n GLY 940 N 1.81 0.13 3.73 8.31 0.00 -0.80 -4.99 105.19 113.37 1nqj n GLY 940 Ca 0.11 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1nqj n GLY 940 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nqj s GLU 941 N -2.00 4.58 0.05 1.61 2.12 -1.26 -1.27 118.70 122.53 1nqj s GLU 941 Ca 0.00 1.62 0.09 0.00 0.36 0.00 0.00 54.97 57.03 1nqj s GLU 941 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1nqj s GLU 941 CO 0.00 0.02 -0.25 0.14 -0.54 0.00 0.00 175.26 174.63 1nqj s VAL 942 N 0.28 2.02 -0.32 3.70 -7.23 0.04 -4.66 120.40 114.23 1nqj s VAL 942 Ca 0.51 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1nqj s VAL 942 Cb -0.27 -1.74 0.08 0.00 0.56 0.00 0.00 36.38 35.01 1nqj s VAL 942 CO 0.31 0.30 0.02 0.21 -0.31 0.00 0.00 175.10 175.64 1nqj s ASN 943 N -1.29 4.79 -0.29 4.85 2.47 -0.12 -0.95 114.94 124.40 1nqj s ASN 943 Ca 0.11 -1.75 -0.24 0.00 0.42 0.00 0.00 52.86 51.39 1nqj s ASN 943 Cb -0.10 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1nqj s ASN 943 CO 0.02 -0.33 0.83 -0.63 -3.72 0.00 0.00 177.10 173.27 1nqj s ILE 944 N 1.07 4.77 -0.09 -5.21 1.01 -0.75 -0.86 121.20 121.14 1nqj s ILE 944 Ca 0.02 1.35 -0.00 0.00 0.00 0.00 0.00 60.65 62.02 1nqj s ILE 944 Cb -0.20 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1nqj s ILE 944 CO -0.05 -0.22 -0.06 -0.70 0.00 0.00 0.00 174.94 173.91 1nqj s GLU 945 N 3.00 1.23 -0.14 2.79 2.12 -0.07 -2.04 118.70 125.60 1nqj s GLU 945 Ca 0.34 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.47 1nqj s GLU 945 Cb -0.14 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 1nqj s GLU 945 CO 0.11 -0.24 0.04 -1.17 -0.54 0.00 0.00 175.26 173.46 1nqj s LEU 946 N 1.65 3.72 -0.23 2.70 0.20 -0.01 -1.21 118.68 125.50 1nqj s LEU 946 Ca 0.02 0.12 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 1nqj s LEU 946 Cb -0.13 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1nqj s LEU 946 CO -0.06 0.27 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.59 1nqj s ASP 947 N -0.24 4.16 -0.26 3.68 3.68 0.29 -0.78 116.67 127.20 1nqj s ASP 947 Ca 0.07 -0.60 -0.29 0.00 2.13 0.00 0.00 52.55 53.86 1nqj s ASP 947 Cb -0.12 -1.68 0.01 0.00 -1.45 0.00 0.00 42.92 39.67 1nqj s ASP 947 CO 0.02 -0.06 1.15 -0.54 0.13 0.00 0.00 175.17 175.87 1nqj s LYS 948 N 1.40 4.11 0.35 4.34 1.02 0.25 -1.26 119.74 129.97 1nqj s LYS 948 Ca 0.04 1.30 0.20 0.00 0.02 0.00 0.00 55.97 57.53 1nqj s LYS 948 Cb -0.15 -3.75 0.20 0.00 -0.52 0.00 0.00 37.83 33.61 1nqj s LYS 948 CO -0.05 -0.84 1.49 0.87 -0.92 0.00 0.00 175.35 175.90 1nqj h LYS 949 N 8.22 0.00 -5.49 1.68 1.79 -1.55 -3.45 116.57 117.78 1nqj h LYS 949 Ca -0.23 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.81 1nqj h LYS 949 Cb 1.08 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.51 1nqj h LYS 949 CO 1.01 0.20 -0.79 -0.51 -1.08 0.00 0.00 179.45 178.28 1nqj s ASP 950 N -6.24 1.84 -0.17 0.86 1.01 -1.23 -4.94 116.67 107.80 1nqj s ASP 950 Ca 0.05 -0.64 -0.29 0.00 0.71 0.00 0.00 52.55 52.38 1nqj s ASP 950 Cb 0.06 -0.07 -0.00 0.00 1.01 0.00 0.00 42.92 43.92 1nqj s ASP 950 CO 0.71 -0.06 1.12 -0.70 0.21 0.00 0.00 175.17 176.45 1nqj s GLU 951 N -1.84 4.28 0.20 8.23 2.56 -1.26 -4.77 118.70 126.11 1nqj s GLU 951 Ca 0.00 1.49 -0.23 0.00 0.00 0.00 0.00 54.97 56.23 1nqj s GLU 951 Cb -0.10 -3.65 0.06 0.00 2.00 0.00 0.00 34.13 32.44 1nqj s GLU 951 CO 0.03 -0.59 0.93 -0.59 -0.56 0.00 0.00 175.26 174.48 1nqj s PHE 952 N 3.01 -0.07 -0.65 5.30 -0.12 -1.26 -4.72 117.98 119.47 1nqj s PHE 952 Ca 0.49 -0.31 -0.19 0.00 -0.05 0.00 0.00 56.93 56.87 1nqj s PHE 952 Cb -0.18 0.68 0.11 0.00 -0.63 0.00 0.00 43.02 42.99 1nqj s PHE 952 CO 0.12 -0.97 0.80 0.20 -0.05 0.00 0.00 175.22 175.32 1nqj s GLY 953 N -3.05 1.75 0.02 1.99 0.00 -0.46 -4.98 107.32 102.59 1nqj s GLY 953 Ca 0.14 -2.26 0.03 0.00 0.00 0.00 0.00 44.72 42.63 1nqj s GLY 953 CO 0.04 1.70 -0.09 0.54 0.00 0.00 0.00 173.10 175.30 1nqj s VAL 954 N 2.83 0.69 0.00 1.40 0.11 -1.26 -0.33 120.40 123.83 1nqj s VAL 954 Ca 0.16 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1nqj s VAL 954 Cb -0.20 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1nqj s VAL 954 CO 0.05 -0.00 0.00 1.07 -3.33 0.00 0.00 175.10 172.88 1nqj n THR 955 N 2.33 0.00 -3.71 5.04 5.66 -0.38 -4.95 114.28 118.26 1nqj n THR 955 Ca -0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.73 1nqj n THR 955 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 1nqj n THR 955 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nqj s TRP 956 N -4.89 -0.10 -0.04 1.09 1.48 -1.26 -1.57 118.94 113.64 1nqj s TRP 956 Ca 0.00 -0.18 -0.01 0.00 -1.06 0.00 0.00 56.10 54.86 1nqj s TRP 956 Cb 0.00 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.48 1nqj s TRP 956 CO 0.00 -0.61 0.02 -0.08 -4.06 0.00 0.00 176.95 172.22 1nqj s THR 957 N -3.44 0.14 -0.18 0.66 -1.32 -0.09 -1.42 115.64 110.00 1nqj s THR 957 Ca 0.01 0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 60.60 1nqj s THR 957 Cb 0.02 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 1nqj s THR 957 CO -0.09 0.18 0.09 -0.22 -2.21 0.00 0.00 174.62 172.37 1nqj s LEU 958 N 1.56 3.99 -0.00 9.08 2.96 0.31 -1.02 118.68 135.55 1nqj s LEU 958 Ca -0.02 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1nqj s LEU 958 Cb -0.13 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1nqj s LEU 958 CO -0.03 0.19 -0.08 -1.38 -1.32 0.00 0.00 176.35 173.74 1nqj s HIS 959 N 0.28 0.68 0.58 5.38 -3.43 0.06 -1.91 115.29 116.93 1nqj s HIS 959 Ca 0.06 -0.15 -0.17 0.00 -0.80 0.00 0.00 55.06 53.99 1nqj s HIS 959 Cb -0.12 -0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 30.55 1nqj s HIS 959 CO -0.01 -0.01 1.08 -2.14 -2.00 0.00 0.00 174.74 171.67 1nqj s PRO 960 N -0.26 3.29 0.25 -0.38 0.02 -1.26 -0.97 135.00 135.69 1nqj s PRO 960 Ca 0.02 1.38 -0.05 0.00 0.02 0.00 0.00 61.00 62.38 1nqj s PRO 960 Cb -0.03 -2.02 0.28 0.00 0.02 0.00 0.00 34.50 32.75 1nqj s PRO 960 CO -0.00 -0.86 1.81 1.49 -0.33 0.00 0.00 177.00 179.11 1nqj h GLU 961 N 0.74 1.04 -6.32 5.54 4.81 -1.47 -3.46 114.58 115.46 1nqj h GLU 961 Ca -0.48 -0.19 -0.64 0.00 -0.13 0.00 0.00 59.36 57.92 1nqj h GLU 961 Cb 1.24 -0.17 0.09 0.00 0.63 0.00 0.00 28.75 30.54 1nqj h GLU 961 CO 0.57 0.86 0.10 -1.13 -0.73 0.00 0.00 179.01 178.68 1nqj n SER 962 N -4.28 0.91 -0.64 1.04 3.41 -1.26 -4.88 113.62 107.92 1nqj n SER 962 Ca 0.06 1.15 0.11 0.00 -0.26 0.00 0.00 58.87 59.93 1nqj n SER 962 Cb 0.19 -1.19 0.34 0.00 -0.26 0.00 0.00 64.21 63.30 1nqj n SER 962 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nqj n ASN 963 N 1.72 1.93 -0.03 4.04 3.02 -1.26 -4.23 115.26 120.45 1nqj n ASN 963 Ca 0.14 -1.76 -0.04 0.00 -0.03 0.00 0.00 54.58 52.89 1nqj n ASN 963 Cb 0.27 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1nqj n ASN 963 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1nqj n ILE 964 N 0.50 0.95 -2.24 2.41 5.41 -1.26 -4.89 119.36 120.25 1nqj n ILE 964 Ca 0.16 0.26 -0.43 0.00 1.00 0.00 0.00 62.75 63.75 1nqj n ILE 964 Cb 0.37 -1.85 -0.02 0.00 -0.71 0.00 0.00 39.64 37.43 1nqj n ILE 964 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1nqj s ASN 965 N -5.41 6.69 0.00 4.38 2.47 -1.26 -4.87 114.94 116.94 1nqj s ASN 965 Ca -0.13 1.74 0.03 0.00 0.42 0.00 0.00 52.86 54.92 1nqj s ASN 965 Cb 0.02 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.35 1nqj s ASN 965 CO 0.19 -0.98 0.91 0.47 -3.72 0.00 0.00 177.10 173.98 1nqj n ASP 966 N 7.38 1.93 -4.74 -4.21 8.00 -1.26 -4.42 116.55 119.23 1nqj n ASP 966 Ca 0.16 -1.70 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 1nqj n ASP 966 Cb 0.45 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1nqj n ASP 966 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nqj s ARG 967 N -0.75 4.50 0.17 -1.24 0.52 -1.26 -4.85 118.95 116.04 1nqj s ARG 967 Ca 0.06 1.84 0.07 0.00 -0.52 0.00 0.00 55.73 57.18 1nqj s ARG 967 Cb 0.03 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1nqj s ARG 967 CO 0.05 -0.08 0.03 0.96 0.02 0.00 0.00 175.30 176.28 1nqj s ILE 968 N 0.02 3.92 0.02 1.52 -4.36 -1.26 -4.35 121.20 116.70 1nqj s ILE 968 Ca 0.53 -1.34 0.06 0.00 -0.26 0.00 0.00 60.65 59.64 1nqj s ILE 968 Cb -0.32 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 1nqj s ILE 968 CO 0.36 -0.11 -0.17 -0.89 0.24 0.00 0.00 174.94 174.36 1nqj s THR 969 N -1.74 1.37 0.10 8.37 2.01 -0.80 -4.98 115.64 119.97 1nqj s THR 969 Ca 0.28 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1nqj s THR 969 Cb -0.09 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1nqj s THR 969 CO 0.20 0.22 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.88 1nqj s TYR 970 N -0.64 2.59 0.54 4.92 4.12 -1.26 -0.53 117.35 127.08 1nqj s TYR 970 Ca 0.05 -0.23 -0.20 0.00 0.02 0.00 0.00 57.07 56.71 1nqj s TYR 970 Cb -0.08 -1.39 -0.06 0.00 -1.52 0.00 0.00 41.96 38.92 1nqj s TYR 970 CO 0.01 0.37 1.17 0.20 0.02 0.00 0.00 175.55 177.32 1nqj s GLY 971 N -2.03 2.70 -0.23 0.71 0.00 -0.50 -4.74 107.32 103.24 1nqj s GLY 971 Ca 0.18 0.92 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 1nqj s GLY 971 CO 0.10 1.31 -0.01 1.20 0.00 0.00 0.00 173.10 175.70 1nqj s GLN 972 N -3.15 3.48 -0.10 2.90 -1.52 0.07 -4.80 119.66 116.54 1nqj s GLN 972 Ca 0.72 -0.57 -0.28 0.00 -1.95 0.00 0.00 55.36 53.27 1nqj s GLN 972 Cb -0.27 -3.11 -0.02 0.00 -0.22 0.00 0.00 33.01 29.39 1nqj s GLN 972 CO 0.31 -0.18 0.93 0.08 -0.25 0.00 0.00 175.29 176.18 1nqj s VAL 973 N 1.48 4.85 -0.35 1.09 1.01 -1.26 -1.62 120.40 125.60 1nqj s VAL 973 Ca 0.06 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1nqj s VAL 973 Cb -0.15 -4.25 0.14 0.00 0.00 0.00 0.00 36.38 32.13 1nqj s VAL 973 CO -0.01 0.07 0.25 -0.62 0.00 0.00 0.00 175.10 174.78 1nqj s ASP 974 N 1.06 2.54 1.81 3.32 2.15 0.43 -5.01 116.67 122.97 1nqj s ASP 974 Ca 0.46 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 51.51 1nqj s ASP 974 Cb -0.18 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 1nqj s ASP 974 CO 0.19 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1nqj n GLY 975 N 4.23 3.14 0.04 2.66 0.00 -1.26 -1.84 105.19 112.16 1nqj n GLY 975 Ca 0.10 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1nqj n GLY 975 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqj n ASN 976 N 5.93 0.14 -4.57 1.61 3.02 -1.26 -4.79 115.26 115.33 1nqj n ASN 976 Ca 0.00 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.47 1nqj n ASN 976 Cb 0.00 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 1nqj n ASN 976 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1nqj s LYS 977 N -2.21 3.10 -0.24 3.52 2.20 -0.77 -0.58 119.74 124.76 1nqj s LYS 977 Ca 0.40 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1nqj s LYS 977 Cb 0.21 -2.73 0.07 0.00 -1.51 0.00 0.00 37.83 33.86 1nqj s LYS 977 CO 0.40 0.53 -0.01 0.08 -0.36 0.00 0.00 175.35 176.00 1nqj s VAL 978 N -0.44 1.29 0.15 4.02 1.01 0.04 -0.43 120.40 126.04 1nqj s VAL 978 Ca 0.07 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1nqj s VAL 978 Cb -0.12 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1nqj s VAL 978 CO 0.02 -0.21 0.19 -0.94 0.00 0.00 0.00 175.10 174.16 1nqj s SER 979 N 1.49 0.15 -0.25 3.32 1.04 -0.64 -0.83 113.70 117.97 1nqj s SER 979 Ca -0.02 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.12 1nqj s SER 979 Cb -0.18 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.43 1nqj s SER 979 CO -0.09 -0.83 0.98 0.21 0.98 0.00 0.00 173.24 174.50 1nqj s ASN 980 N -3.01 -0.48 -0.23 7.02 3.84 -0.87 -0.75 114.94 120.48 1nqj s ASN 980 Ca 0.20 0.85 -0.10 0.00 0.21 0.00 0.00 52.86 54.03 1nqj s ASN 980 Cb 0.05 0.84 -0.05 0.00 -0.55 0.00 0.00 41.25 41.54 1nqj s ASN 980 CO 0.01 -0.21 0.13 -0.75 -2.79 0.00 0.00 177.10 173.49 1nqj s LYS 981 N -0.02 4.04 -0.05 0.43 2.20 -1.26 -1.81 119.74 123.25 1nqj s LYS 981 Ca 0.02 -0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 1nqj s LYS 981 Cb -0.04 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1nqj s LYS 981 CO -0.04 0.11 0.14 0.54 -0.36 0.00 0.00 175.35 175.74 1nqj s VAL 982 N 0.89 -0.01 -0.23 4.02 0.11 -0.12 -4.96 120.40 120.09 1nqj s VAL 982 Ca 0.07 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 1nqj s VAL 982 Cb -0.13 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1nqj s VAL 982 CO 0.03 0.01 0.91 -0.75 -3.33 0.00 0.00 175.10 171.97 1nqj s LYS 983 N 0.19 4.22 -0.04 1.54 2.20 -1.26 -0.78 119.74 125.81 1nqj s LYS 983 Ca -0.01 1.11 0.04 0.00 -0.36 0.00 0.00 55.97 56.75 1nqj s LYS 983 Cb -0.02 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1nqj s LYS 983 CO -0.01 -0.56 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.77 1nqj s LEU 984 N 2.96 2.69 0.55 5.43 1.43 -0.40 -4.94 118.68 126.40 1nqj s LEU 984 Ca 0.39 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1nqj s LEU 984 Cb -0.15 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1nqj s LEU 984 CO 0.07 0.34 0.87 -0.13 0.23 0.00 0.00 176.35 177.73 1nqj s ARG 985 N -0.78 3.21 0.53 1.70 0.52 -1.26 -1.91 118.95 120.95 1nqj s ARG 985 Ca 0.12 0.15 -0.21 0.00 -0.52 0.00 0.00 55.73 55.26 1nqj s ARG 985 Cb -0.11 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.01 1nqj s ARG 985 CO 0.01 -0.51 1.06 -2.30 0.02 0.00 0.00 175.30 173.58 1nqj n PRO 986 N -2.49 1.25 0.00 3.54 -0.02 -1.26 -4.75 135.00 131.27 1nqj n PRO 986 Ca 0.03 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1nqj n PRO 986 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1nqj n PRO 986 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqj n GLY 987 N 1.13 0.82 3.86 -1.23 0.00 -0.28 -4.95 105.19 104.55 1nqj n GLY 987 Ca 0.11 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1nqj n GLY 987 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nqj s LYS 988 N -1.34 3.34 0.05 1.61 2.20 -1.26 -0.67 119.74 123.68 1nqj s LYS 988 Ca 0.00 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1nqj s LYS 988 Cb 0.00 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1nqj s LYS 988 CO 0.00 0.72 -0.15 0.71 -0.36 0.00 0.00 175.35 176.27 1nqj s TYR 989 N -1.14 1.28 -0.13 4.03 1.51 -0.06 -1.17 117.35 121.67 1nqj s TYR 989 Ca 0.20 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1nqj s TYR 989 Cb -0.12 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1nqj s TYR 989 CO 0.10 0.06 -0.04 0.71 -1.11 0.00 0.00 175.55 175.27 1nqj s TYR 990 N -1.02 3.01 -0.19 2.71 1.51 -0.14 -1.56 117.35 121.68 1nqj s TYR 990 Ca 0.01 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1nqj s TYR 990 Cb -0.09 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1nqj s TYR 990 CO 0.02 0.09 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.28 1nqj s LEU 991 N -0.02 2.09 -0.27 -1.29 2.96 -0.03 -0.76 118.68 121.36 1nqj s LEU 991 Ca 0.01 -0.81 -0.12 0.00 -0.22 0.00 0.00 54.13 52.99 1nqj s LEU 991 Cb -0.13 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1nqj s LEU 991 CO 0.03 -0.14 0.26 -0.22 -1.32 0.00 0.00 176.35 174.95 1nqj s LEU 992 N 1.45 4.05 -0.23 -0.68 2.96 -0.19 -0.81 118.68 125.24 1nqj s LEU 992 Ca -0.00 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 1nqj s LEU 992 Cb -0.16 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1nqj s LEU 992 CO -0.08 -0.08 0.10 -0.69 -1.32 0.00 0.00 176.35 174.29 1nqj s VAL 993 N 1.72 4.85 0.09 1.68 1.01 -0.13 -0.91 120.40 128.70 1nqj s VAL 993 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1nqj s VAL 993 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1nqj s VAL 993 CO 0.09 0.37 0.15 -0.72 0.00 0.00 0.00 175.10 174.99 1nqj s TYR 994 N 1.08 0.25 0.19 5.22 -0.85 -0.61 -0.35 117.35 122.28 1nqj s TYR 994 Ca 0.05 -0.70 0.09 0.00 -0.52 0.00 0.00 57.07 56.00 1nqj s TYR 994 Cb -0.14 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 1nqj s TYR 994 CO 0.04 -0.52 -0.12 -1.59 -1.52 0.00 0.00 175.55 171.84 1nqj s LYS 995 N -3.88 1.97 0.00 -3.49 -2.85 -0.67 -1.24 119.74 109.57 1nqj s LYS 995 Ca 0.06 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.70 1nqj s LYS 995 Cb 0.05 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1nqj s LYS 995 CO -0.10 0.42 0.03 2.48 0.10 0.00 0.00 175.35 178.28 1nqj n TYR 996 N 0.01 0.00 -3.52 1.78 0.18 0.55 -4.98 117.16 111.18 1nqj n TYR 996 Ca -0.11 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.50 1nqj n TYR 996 Cb 0.56 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.46 1nqj n TYR 996 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1nqj s SER 997 N -0.84 -0.64 0.44 9.48 1.04 -1.11 -4.96 113.70 117.12 1nqj s SER 997 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1nqj s SER 997 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1nqj s SER 997 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1nqj n GLY 998 N 0.84 -0.23 3.37 7.32 0.00 -1.26 -1.35 105.19 113.87 1nqj n GLY 998 Ca -0.19 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1nqj n GLY 998 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqj s SER 999 N -4.00 -0.41 0.00 1.61 0.01 -1.26 -4.79 113.70 104.86 1nqj s SER 999 Ca 0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1nqj s SER 999 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1nqj s SER 999 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1nqj n GLY 1000N 1.35 -0.29 3.91 3.44 0.00 -1.09 -4.66 105.19 107.85 1nqj n GLY 1000Ca -0.19 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1nqj n GLY 1000CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqj s ASN 1001N 0.00 6.43 0.14 1.61 0.01 -1.26 -0.64 114.94 121.24 1nqj s ASN 1001Ca 0.00 0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 52.61 1nqj s ASN 1001Cb 0.00 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 1nqj s ASN 1001CO 0.00 -0.06 0.24 -0.72 -1.51 0.00 0.00 177.10 175.06 1nqj s TYR 1002N -1.87 0.36 0.01 2.20 -0.85 -0.56 -1.35 117.35 115.29 1nqj s TYR 1002Ca 0.41 -0.74 0.07 0.00 -0.52 0.00 0.00 57.07 56.29 1nqj s TYR 1002Cb -0.11 -0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 1nqj s TYR 1002CO 0.28 -0.66 -0.21 -1.21 -1.52 0.00 0.00 175.55 172.23 1nqj s GLU 1003N -3.94 2.08 -0.03 -3.49 2.02 -0.39 -2.05 118.70 112.91 1nqj s GLU 1003Ca 0.14 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1nqj s GLU 1003Cb 0.04 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.14 1nqj s GLU 1003CO -0.03 0.55 -0.11 -1.17 0.02 0.00 0.00 175.26 174.52 1nqj s LEU 1004N -1.07 1.86 0.04 1.80 2.96 -0.03 -0.55 118.68 123.69 1nqj s LEU 1004Ca 0.12 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1nqj s LEU 1004Cb -0.10 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 1nqj s LEU 1004CO 0.02 0.10 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.89 1nqj s ARG 1005N 0.06 0.88 -0.57 1.98 0.52 -0.35 -0.33 118.95 121.14 1nqj s ARG 1005Ca -0.02 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1nqj s ARG 1005Cb -0.08 -0.86 0.15 0.00 0.52 0.00 0.00 34.95 34.67 1nqj s ARG 1005CO 0.01 0.21 0.41 0.08 0.02 0.00 0.00 175.30 176.03 1nqj s VAL 1006N -0.87 3.95 0.21 3.52 1.01 -1.26 -0.89 120.40 126.07 1nqj s VAL 1006Ca 0.01 -2.48 -0.25 0.00 0.00 0.00 0.00 61.98 59.26 1nqj s VAL 1006Cb -0.08 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1nqj s VAL 1006CO 0.01 -0.84 0.81 0.20 0.00 0.00 0.00 175.10 175.28 1nqj s ASN 1007N 1.50 7.36 0.00 3.32 0.01 -0.04 -0.78 114.94 126.31 1nqj s ASN 1007Ca 0.13 1.67 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 1nqj s ASN 1007Cb -0.21 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1nqj s ASN 1007CO -0.04 0.13 0.00 1.17 -1.51 0.00 0.00 177.10 176.86