#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqd s LYS 896 N 0.00 0.91 -0.14 3.44 -0.14 -1.26 -4.24 119.74 118.30 1nqd s LYS 896 Ca 0.00 -1.42 -0.00 0.00 -1.36 0.00 0.00 55.97 53.18 1nqd s LYS 896 Cb 0.00 0.19 -0.01 0.00 -1.68 0.00 0.00 37.83 36.33 1nqd s LYS 896 CO 0.00 -0.23 -0.13 -1.17 -0.76 0.00 0.00 175.35 173.06 1nqd s LEU 897 N -3.05 2.67 0.29 3.17 2.96 0.21 -4.97 118.68 119.97 1nqd s LEU 897 Ca 0.22 -0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.52 1nqd s LEU 897 Cb 0.07 -1.61 -0.09 0.00 0.50 0.00 0.00 46.19 45.06 1nqd s LEU 897 CO 0.01 0.13 0.89 -0.54 -1.32 0.00 0.00 176.35 175.52 1nqd s LYS 898 N 0.54 4.51 1.09 1.98 1.02 -1.26 0.01 119.74 127.62 1nqd s LYS 898 Ca -0.08 1.21 -0.12 0.00 0.02 0.00 0.00 55.97 57.00 1nqd s LYS 898 Cb -0.16 -2.84 0.23 0.00 -0.52 0.00 0.00 37.83 34.55 1nqd s LYS 898 CO 0.04 0.32 0.98 -0.85 -0.92 0.00 0.00 175.35 174.91 1nqd n GLU 899 N 0.64 -1.73 -3.84 1.68 0.28 -0.28 -4.83 120.64 112.54 1nqd n GLU 899 Ca 0.01 -0.46 -0.30 0.00 -0.16 0.00 0.00 57.16 56.24 1nqd n GLU 899 Cb 0.50 -2.20 -0.15 0.00 1.43 0.00 0.00 31.44 31.02 1nqd n GLU 899 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1nqd s LYS 900 N -4.39 1.11 0.60 3.44 -0.14 -1.26 -5.06 119.74 114.04 1nqd s LYS 900 Ca 0.67 -1.09 -0.16 0.00 -1.36 0.00 0.00 55.97 54.03 1nqd s LYS 900 Cb -0.24 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1nqd s LYS 900 CO 0.63 -0.81 1.06 -1.21 -0.76 0.00 0.00 175.35 174.26 1nqd s GLU 901 N 1.46 3.26 -0.04 1.68 0.41 -1.26 -3.86 118.70 120.35 1nqd s GLU 901 Ca 0.04 1.22 -0.29 0.00 -0.41 0.00 0.00 54.97 55.53 1nqd s GLU 901 Cb -0.18 -2.02 -0.03 0.00 -1.78 0.00 0.00 34.13 30.12 1nqd s GLU 901 CO -0.14 -0.86 0.94 1.21 -0.49 0.00 0.00 175.26 175.91 1nqd s ASN 902 N -2.78 7.27 -0.26 -0.19 3.84 -1.26 -5.12 114.94 116.43 1nqd s ASN 902 Ca 0.64 1.54 0.14 0.00 0.21 0.00 0.00 52.86 55.39 1nqd s ASN 902 Cb -0.16 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.47 1nqd s ASN 902 CO 0.38 -0.29 1.16 -0.46 -2.79 0.00 0.00 177.10 175.10 1nqd n ASN 903 N 4.21 3.34 -0.23 -4.21 0.23 -1.25 -4.80 115.26 112.53 1nqd n ASN 903 Ca 0.06 -3.08 0.13 0.00 -0.53 0.00 0.00 54.58 51.16 1nqd n ASN 903 Cb 0.50 -0.40 0.64 0.00 -2.08 0.00 0.00 39.78 38.45 1nqd n ASN 903 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1nqd n ASP 904 N -0.64 0.72 -4.01 0.53 10.43 -1.26 -0.33 116.55 121.99 1nqd n ASP 904 Ca 0.27 -1.36 -0.09 0.00 2.57 0.00 0.00 54.79 56.18 1nqd n ASP 904 Cb 0.90 -0.02 -0.08 0.00 1.84 0.00 0.00 41.12 43.76 1nqd n ASP 904 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1nqd s SER 905 N -1.83 0.13 0.34 -2.24 1.04 -1.26 -4.82 113.70 105.05 1nqd s SER 905 Ca 0.38 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 55.93 1nqd s SER 905 Cb 0.19 0.39 0.62 0.00 0.10 0.00 0.00 66.02 67.31 1nqd s SER 905 CO 0.31 -0.83 1.83 0.77 0.98 0.00 0.00 173.24 176.29 1nqd h SER 906 N 2.66 0.31 0.66 7.02 4.64 -1.97 0.22 113.55 127.08 1nqd h SER 906 Ca -0.33 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1nqd h SER 906 Cb 1.22 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1nqd h SER 906 CO 0.52 0.52 0.00 -0.90 -0.87 0.00 0.00 176.83 176.11 1nqd n ASP 907 N -4.19 0.55 -1.13 4.97 5.68 -1.26 -1.51 116.55 119.66 1nqd n ASP 907 Ca -0.01 0.64 0.08 0.00 -0.50 0.00 0.00 54.79 55.01 1nqd n ASP 907 Cb 0.34 -0.76 0.29 0.00 -1.14 0.00 0.00 41.12 39.86 1nqd n ASP 907 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1nqd n LYS 908 N -2.11 3.40 -1.74 0.11 5.02 0.04 -5.05 118.16 117.83 1nqd n LYS 908 Ca 0.02 -2.90 -0.41 0.00 -2.02 0.00 0.00 58.31 53.00 1nqd n LYS 908 Cb 0.21 -1.93 0.01 0.00 -0.02 0.00 0.00 35.03 33.30 1nqd n LYS 908 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqd n ALA 909 N -0.19 1.79 -2.61 7.82 0.00 -0.57 -4.27 120.51 122.48 1nqd n ALA 909 Ca 0.23 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 1nqd n ALA 909 Cb 0.95 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1nqd n ALA 909 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nqd s THR 910 N -1.16 4.60 0.02 0.00 2.01 0.52 -4.76 115.64 116.86 1nqd s THR 910 Ca 0.58 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 64.15 1nqd s THR 910 Cb -0.49 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 1nqd s THR 910 CO 0.60 0.10 1.12 -0.69 -0.69 0.00 0.00 174.62 175.06 1nqd s VAL 911 N 1.38 4.36 -0.49 3.82 1.01 -1.26 -1.76 120.40 127.46 1nqd s VAL 911 Ca 0.53 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 64.00 1nqd s VAL 911 Cb -0.23 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1nqd s VAL 911 CO 0.25 0.11 0.64 -0.63 0.00 0.00 0.00 175.10 175.48 1nqd s ILE 912 N 1.25 4.83 0.36 2.22 1.01 -0.08 -4.91 121.20 125.89 1nqd s ILE 912 Ca 0.56 -0.25 0.23 0.00 0.00 0.00 0.00 60.65 61.19 1nqd s ILE 912 Cb -0.26 -4.28 0.23 0.00 0.01 0.00 0.00 42.46 38.17 1nqd s ILE 912 CO 0.27 -0.75 1.97 1.55 0.00 0.00 0.00 174.94 177.99 1nqd h PRO 913 N 8.97 0.00 -3.09 2.79 0.13 -1.94 -3.43 132.00 135.43 1nqd h PRO 913 Ca -0.27 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1nqd h PRO 913 Cb 1.09 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 1nqd h PRO 913 CO 0.94 0.20 0.17 -0.80 -0.23 0.00 0.00 178.00 178.28 1nqd s ASN 914 N -6.38 -0.33 1.01 1.44 0.01 -1.26 -4.98 114.94 104.44 1nqd s ASN 914 Ca -0.02 -0.43 -0.12 0.00 -0.71 0.00 0.00 52.86 51.58 1nqd s ASN 914 Cb 0.13 0.66 0.17 0.00 0.41 0.00 0.00 41.25 42.62 1nqd s ASN 914 CO 0.63 -1.18 0.95 0.49 -1.51 0.00 0.00 177.10 176.48 1nqd n PHE 915 N -0.41 -0.18 -3.52 2.20 3.72 -1.26 -3.60 117.46 114.40 1nqd n PHE 915 Ca -0.09 0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.26 1nqd n PHE 915 Cb 0.61 -1.86 0.05 0.00 -0.94 0.00 0.00 39.48 37.34 1nqd n PHE 915 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1nqd n ASN 916 N -3.94 -5.66 -3.90 4.37 3.02 0.20 -4.97 115.26 104.38 1nqd n ASN 916 Ca 0.08 -0.53 -0.28 0.00 -0.03 0.00 0.00 54.58 53.82 1nqd n ASN 916 Cb 0.53 -4.51 -0.16 0.00 -0.61 0.00 0.00 39.78 35.03 1nqd n ASN 916 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nqd s THR 917 N -3.24 1.14 -0.18 3.41 2.01 -1.24 -5.04 115.64 112.50 1nqd s THR 917 Ca 0.52 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.66 1nqd s THR 917 Cb -0.25 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1nqd s THR 917 CO 0.65 0.16 0.79 -0.89 -0.69 0.00 0.00 174.62 174.64 1nqd s THR 918 N 1.62 4.91 0.01 -0.82 2.01 -1.26 -4.39 115.64 117.73 1nqd s THR 918 Ca 0.01 1.53 -0.15 0.00 0.31 0.00 0.00 61.69 63.39 1nqd s THR 918 Cb -0.15 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 1nqd s THR 918 CO -0.08 0.04 0.43 -0.04 -0.69 0.00 0.00 174.62 174.28 1nqd s MET 919 N 2.14 3.95 -0.16 4.92 -1.94 0.29 -0.62 119.30 127.89 1nqd s MET 919 Ca 0.36 0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 54.74 1nqd s MET 919 Cb -0.16 -3.21 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 1nqd s MET 919 CO 0.12 0.68 0.01 -0.65 -0.01 0.00 0.00 175.02 175.16 1nqd s GLN 920 N -1.12 3.72 0.34 2.03 -0.21 0.10 -0.85 119.66 123.67 1nqd s GLN 920 Ca 0.25 -0.43 -0.02 0.00 0.02 0.00 0.00 55.36 55.17 1nqd s GLN 920 Cb -0.17 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.82 1nqd s GLN 920 CO 0.14 0.31 0.47 0.20 -2.12 0.00 0.00 175.29 174.29 1nqd s GLY 921 N 0.21 1.49 0.04 3.09 0.00 -0.38 -1.13 107.32 110.65 1nqd s GLY 921 Ca 0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 44.72 43.08 1nqd s GLY 921 CO 0.02 -1.00 0.28 -1.35 0.00 0.00 0.00 173.10 171.04 1nqd s SER 922 N -3.24 -0.09 -0.51 1.64 1.04 -1.26 -1.40 113.70 109.89 1nqd s SER 922 Ca 0.31 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.58 1nqd s SER 922 Cb -0.00 0.33 0.19 0.00 0.10 0.00 0.00 66.02 66.64 1nqd s SER 922 CO 0.20 -0.58 0.45 0.18 0.98 0.00 0.00 173.24 174.47 1nqd n LEU 923 N 0.69 0.92 -4.77 2.42 4.77 0.63 -4.98 117.00 116.68 1nqd n LEU 923 Ca -0.19 -4.74 -0.37 0.00 -0.03 0.00 0.00 56.01 50.68 1nqd n LEU 923 Cb 0.59 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1nqd n LEU 923 CO 0.21 1.88 -0.00 -0.76 -1.33 0.00 0.00 177.39 177.39 1nqd s LEU 924 N -0.77 4.32 0.00 2.23 1.43 -1.22 -2.24 118.68 122.43 1nqd s LEU 924 Ca 0.32 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1nqd s LEU 924 Cb 0.05 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1nqd s LEU 924 CO -0.16 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1nqd n GLY 925 N 2.84 2.97 0.39 -3.19 0.00 -1.26 -2.01 105.19 104.92 1nqd n GLY 925 Ca -0.13 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1nqd n GLY 925 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nqd n ASP 926 N 3.94 1.13 -4.48 1.61 5.68 -1.26 -4.49 116.55 118.68 1nqd n ASP 926 Ca 0.00 -1.94 -0.43 0.00 -0.50 0.00 0.00 54.79 51.93 1nqd n ASP 926 Cb 0.00 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 39.82 1nqd n ASP 926 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nqd s ASP 927 N -1.09 6.37 0.00 -1.12 2.15 -0.85 -4.79 116.67 117.34 1nqd s ASP 927 Ca 0.17 -1.35 0.08 0.00 0.43 0.00 0.00 52.55 51.88 1nqd s ASP 927 Cb 0.09 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1nqd s ASP 927 CO 0.12 -1.38 0.58 -1.54 -0.17 0.00 0.00 175.17 172.79 1nqd n SER 928 N 7.72 1.13 -3.80 -0.34 3.41 -1.26 -3.38 113.62 117.10 1nqd n SER 928 Ca 0.12 -1.07 -0.14 0.00 -0.26 0.00 0.00 58.87 57.53 1nqd n SER 928 Cb 0.48 0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 64.72 1nqd n SER 928 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nqd s ARG 929 N -1.17 -0.00 -0.17 4.33 0.52 -1.26 -1.57 118.95 119.62 1nqd s ARG 929 Ca 0.07 0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.41 1nqd s ARG 929 Cb 0.07 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.45 1nqd s ARG 929 CO 0.20 -0.10 0.00 -0.51 0.02 0.00 0.00 175.30 174.91 1nqd s ASP 930 N 0.67 2.80 -0.02 0.23 1.01 0.72 -4.38 116.67 117.70 1nqd s ASP 930 Ca -0.05 -0.72 -0.16 0.00 0.71 0.00 0.00 52.55 52.33 1nqd s ASP 930 Cb -0.08 -0.70 -0.05 0.00 1.01 0.00 0.00 42.92 43.10 1nqd s ASP 930 CO -0.02 -0.26 0.42 -0.31 0.21 0.00 0.00 175.17 175.22 1nqd s TYR 931 N 1.78 3.69 0.23 4.23 1.51 0.55 -0.94 117.35 128.39 1nqd s TYR 931 Ca -0.00 0.98 0.07 0.00 -1.01 0.00 0.00 57.07 57.10 1nqd s TYR 931 Cb -0.16 -2.35 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1nqd s TYR 931 CO -0.07 0.55 -0.10 0.71 -1.11 0.00 0.00 175.55 175.53 1nqd s TYR 932 N -0.74 1.72 0.05 2.71 1.51 0.28 -0.36 117.35 122.53 1nqd s TYR 932 Ca 0.24 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1nqd s TYR 932 Cb -0.16 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1nqd s TYR 932 CO 0.13 0.26 -0.09 -1.54 -1.11 0.00 0.00 175.55 173.20 1nqd s SER 933 N -3.34 1.05 0.13 2.29 1.04 -0.72 -0.36 113.70 113.78 1nqd s SER 933 Ca 0.25 -0.57 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 1nqd s SER 933 Cb 0.02 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1nqd s SER 933 CO 0.08 -0.18 0.22 0.72 0.98 0.00 0.00 173.24 175.06 1nqd s PHE 934 N -1.37 0.32 0.03 5.02 -0.12 -0.42 -0.90 117.98 120.54 1nqd s PHE 934 Ca -0.08 -0.72 0.06 0.00 -0.05 0.00 0.00 56.93 56.15 1nqd s PHE 934 Cb -0.10 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1nqd s PHE 934 CO 0.01 -0.62 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.18 1nqd s GLU 935 N -3.92 2.16 -0.16 1.99 2.02 -1.26 -0.17 118.70 119.35 1nqd s GLU 935 Ca 0.12 -0.93 -0.06 0.00 0.02 0.00 0.00 54.97 54.12 1nqd s GLU 935 Cb 0.04 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1nqd s GLU 935 CO -0.05 0.55 0.02 0.08 0.02 0.00 0.00 175.26 175.88 1nqd s VAL 936 N -0.90 4.41 -0.60 2.63 1.01 0.76 -4.93 120.40 122.78 1nqd s VAL 936 Ca 0.14 -0.17 0.18 0.00 0.00 0.00 0.00 61.98 62.13 1nqd s VAL 936 Cb -0.11 -2.96 -0.23 0.00 0.00 0.00 0.00 36.38 33.09 1nqd s VAL 936 CO 0.05 0.48 0.66 0.29 0.00 0.00 0.00 175.10 176.58 1nqd n LYS 937 N 3.43 0.87 -3.75 2.72 5.02 -1.26 -1.17 118.16 124.02 1nqd n LYS 937 Ca -0.17 -0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 55.94 1nqd n LYS 937 Cb 0.52 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 1nqd n LYS 937 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1nqd s GLU 938 N -2.90 0.38 0.36 1.97 -1.05 -1.26 -4.79 118.70 111.41 1nqd s GLU 938 Ca 0.03 0.51 -0.27 0.00 -0.15 0.00 0.00 54.97 55.09 1nqd s GLU 938 Cb 0.13 0.14 -0.12 0.00 -0.44 0.00 0.00 34.13 33.85 1nqd s GLU 938 CO 0.76 -0.07 1.19 -1.91 0.95 0.00 0.00 175.26 176.17 1nqd n GLU 939 N 3.16 1.82 0.00 -4.83 2.13 -1.26 -4.63 120.64 117.03 1nqd n GLU 939 Ca -0.15 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1nqd n GLU 939 Cb 0.57 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1nqd n GLU 939 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqd n GLY 940 N 0.93 1.11 3.71 8.31 0.00 -0.66 -5.00 105.19 113.58 1nqd n GLY 940 Ca 0.07 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1nqd n GLY 940 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nqd s GLU 941 N -2.00 4.50 -0.19 1.61 0.41 -1.26 -1.09 118.70 120.68 1nqd s GLU 941 Ca 0.00 1.52 -0.02 0.00 -0.41 0.00 0.00 54.97 56.05 1nqd s GLU 941 Cb 0.00 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.89 1nqd s GLU 941 CO 0.00 -0.15 -0.08 0.08 -0.49 0.00 0.00 175.26 174.62 1nqd s VAL 942 N 1.21 3.16 -0.33 2.63 1.01 0.10 -4.77 120.40 123.42 1nqd s VAL 942 Ca 0.53 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1nqd s VAL 942 Cb -0.23 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1nqd s VAL 942 CO 0.27 0.46 0.33 0.21 0.00 0.00 0.00 175.10 176.37 1nqd s ASN 943 N 1.18 6.15 -0.20 3.32 3.04 -0.40 -0.67 114.94 127.36 1nqd s ASN 943 Ca 0.02 -0.18 -0.05 0.00 0.04 0.00 0.00 52.86 52.69 1nqd s ASN 943 Cb -0.14 -2.18 -0.02 0.00 -1.54 0.00 0.00 41.25 37.36 1nqd s ASN 943 CO -0.02 -0.27 -0.00 -0.63 -3.04 0.00 0.00 177.10 173.13 1nqd s ILE 944 N 1.95 3.96 -0.08 -5.21 1.01 0.14 0.88 121.20 123.85 1nqd s ILE 944 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1nqd s ILE 944 Cb -0.17 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.54 1nqd s ILE 944 CO 0.11 0.43 -0.08 -0.70 0.00 0.00 0.00 174.94 174.71 1nqd s GLU 945 N 0.96 1.36 -0.14 2.79 2.12 -0.02 -1.78 118.70 123.98 1nqd s GLU 945 Ca 0.01 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 1nqd s GLU 945 Cb -0.14 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 1nqd s GLU 945 CO 0.02 -0.16 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.38 1nqd s LEU 946 N 1.30 3.32 -0.24 2.70 0.20 -0.04 -0.92 118.68 125.00 1nqd s LEU 946 Ca -0.03 -0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 1nqd s LEU 946 Cb -0.14 -1.79 -0.00 0.00 -0.43 0.00 0.00 46.19 43.83 1nqd s LEU 946 CO -0.03 0.21 -0.03 -1.81 -0.29 0.00 0.00 176.35 174.40 1nqd s ASP 947 N 0.15 4.42 0.08 3.68 1.01 -0.10 -0.55 116.67 125.36 1nqd s ASP 947 Ca -0.01 -0.51 -0.30 0.00 0.71 0.00 0.00 52.55 52.44 1nqd s ASP 947 Cb -0.14 -1.75 -0.06 0.00 1.01 0.00 0.00 42.92 41.99 1nqd s ASP 947 CO 0.03 -0.06 1.11 -0.54 0.21 0.00 0.00 175.17 175.92 1nqd s LYS 948 N 1.46 4.51 -0.02 8.23 1.02 -0.11 -1.38 119.74 133.46 1nqd s LYS 948 Ca 0.04 1.66 0.19 0.00 0.02 0.00 0.00 55.97 57.89 1nqd s LYS 948 Cb -0.15 -3.36 0.58 0.00 -0.52 0.00 0.00 37.83 34.39 1nqd s LYS 948 CO -0.03 -0.11 1.49 1.63 -0.92 0.00 0.00 175.35 177.42 1nqd n LYS 949 N 3.48 2.91 -3.46 1.68 4.76 0.10 -4.93 118.16 122.71 1nqd n LYS 949 Ca 0.06 -2.57 -0.13 0.00 -2.87 0.00 0.00 58.31 52.80 1nqd n LYS 949 Cb 0.47 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1nqd n LYS 949 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nqd s ASP 950 N -1.01 -0.57 -0.48 4.39 1.01 -1.24 -4.68 116.67 114.10 1nqd s ASP 950 Ca 0.44 0.20 -0.29 0.00 0.71 0.00 0.00 52.55 53.61 1nqd s ASP 950 Cb 0.24 0.56 0.03 0.00 1.01 0.00 0.00 42.92 44.76 1nqd s ASP 950 CO 0.28 -0.83 1.16 -1.61 0.21 0.00 0.00 175.17 174.38 1nqd s GLU 951 N -2.97 3.70 0.23 8.23 2.02 -1.26 -4.80 118.70 123.86 1nqd s GLU 951 Ca -0.02 0.58 -0.22 0.00 0.02 0.00 0.00 54.97 55.33 1nqd s GLU 951 Cb -0.01 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.34 1nqd s GLU 951 CO -0.06 -1.41 0.76 -0.59 0.02 0.00 0.00 175.26 173.97 1nqd s PHE 952 N 4.56 -0.22 -0.55 1.61 -0.00 -1.26 -4.76 117.98 117.35 1nqd s PHE 952 Ca 0.49 -0.17 -0.20 0.00 -0.00 0.00 0.00 56.93 57.05 1nqd s PHE 952 Cb -0.08 0.68 0.07 0.00 -0.00 0.00 0.00 43.02 43.69 1nqd s PHE 952 CO 0.32 -1.10 0.71 0.20 -0.00 0.00 0.00 175.22 175.36 1nqd s GLY 953 N -2.89 1.69 0.01 1.99 0.00 -0.57 -4.99 107.32 102.56 1nqd s GLY 953 Ca 0.10 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 43.02 1nqd s GLY 953 CO 0.03 1.62 -0.08 0.54 0.00 0.00 0.00 173.10 175.22 1nqd s VAL 954 N 2.93 0.62 0.00 1.40 0.11 -1.26 -0.52 120.40 123.68 1nqd s VAL 954 Ca 0.16 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1nqd s VAL 954 Cb -0.20 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1nqd s VAL 954 CO 0.11 0.04 0.00 1.07 -3.33 0.00 0.00 175.10 172.99 1nqd n THR 955 N 2.53 0.00 -3.61 5.04 5.66 0.01 -4.96 114.28 118.95 1nqd n THR 955 Ca -0.15 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.73 1nqd n THR 955 Cb 0.57 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.30 1nqd n THR 955 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nqd s TRP 956 N -2.87 -0.27 -0.04 1.09 1.48 -1.26 -1.66 118.94 115.40 1nqd s TRP 956 Ca 0.00 0.03 -0.00 0.00 -1.06 0.00 0.00 56.10 55.07 1nqd s TRP 956 Cb 0.00 0.29 0.03 0.00 -1.16 0.00 0.00 33.47 32.63 1nqd s TRP 956 CO 0.00 -0.70 -0.01 0.99 -4.06 0.00 0.00 176.95 173.18 1nqd s THR 957 N -3.50 0.30 -0.16 0.66 2.01 0.29 -1.34 115.64 113.90 1nqd s THR 957 Ca 0.01 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 1nqd s THR 957 Cb 0.01 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1nqd s THR 957 CO -0.10 0.20 0.13 -0.22 -0.69 0.00 0.00 174.62 173.94 1nqd s LEU 958 N 1.30 4.29 -0.01 4.42 2.96 0.42 -0.76 118.68 131.30 1nqd s LEU 958 Ca -0.06 0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 1nqd s LEU 958 Cb -0.13 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1nqd s LEU 958 CO -0.02 0.29 0.29 -1.38 -1.32 0.00 0.00 176.35 174.21 1nqd s HIS 959 N -0.31 -0.15 0.71 5.38 -3.43 0.08 -2.00 115.29 115.58 1nqd s HIS 959 Ca 0.11 0.19 -0.11 0.00 -0.80 0.00 0.00 55.06 54.45 1nqd s HIS 959 Cb -0.11 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.13 1nqd s HIS 959 CO 0.01 -0.39 1.07 -1.25 -2.00 0.00 0.00 174.74 172.18 1nqd s PRO 960 N -1.43 2.79 0.54 -0.38 0.04 -1.26 -0.18 135.00 135.12 1nqd s PRO 960 Ca -0.13 0.74 0.29 0.00 0.04 0.00 0.00 61.00 61.94 1nqd s PRO 960 Cb -0.05 -1.99 1.54 0.00 0.04 0.00 0.00 34.50 34.04 1nqd s PRO 960 CO 0.03 -1.15 2.11 1.49 0.04 0.00 0.00 177.00 179.52 1nqd h GLU 961 N -0.75 0.00 0.00 4.56 4.81 -1.51 -3.44 114.58 118.26 1nqd h GLU 961 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1nqd h GLU 961 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1nqd h GLU 961 CO 0.60 0.09 0.00 0.45 -0.73 0.00 0.00 179.01 179.42 1nqd n SER 962 N -3.61 0.00 -0.97 1.04 2.88 -1.26 -5.11 113.62 106.59 1nqd n SER 962 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1nqd n SER 962 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1nqd n SER 962 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nqd n ASP 966 N 0.00 2.34 -4.54 -3.46 8.00 -1.26 -5.29 116.55 112.35 1nqd n ASP 966 Ca 0.00 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 1nqd n ASP 966 Cb 0.00 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 1nqd n ASP 966 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nqd s ARG 967 N 0.11 3.68 0.16 -1.24 0.52 -1.26 -4.93 118.95 115.99 1nqd s ARG 967 Ca 0.00 -1.47 0.07 0.00 -0.52 0.00 0.00 55.73 53.82 1nqd s ARG 967 Cb 0.00 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.15 1nqd s ARG 967 CO 0.00 -2.10 -0.16 0.96 0.02 0.00 0.00 175.30 174.02 1nqd s ILE 968 N 4.21 1.64 -0.01 1.52 -4.36 -1.26 -4.18 121.20 118.75 1nqd s ILE 968 Ca 0.44 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 1nqd s ILE 968 Cb -0.00 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.90 1nqd s ILE 968 CO -0.07 -0.44 -0.03 -0.89 0.24 0.00 0.00 174.94 173.75 1nqd s THR 969 N -2.38 0.30 0.01 8.37 2.01 -0.85 -4.99 115.64 118.11 1nqd s THR 969 Ca 0.16 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1nqd s THR 969 Cb -0.04 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 1nqd s THR 969 CO 0.05 0.11 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.76 1nqd s TYR 970 N 0.22 3.00 0.40 4.92 4.12 -1.26 -0.43 117.35 128.31 1nqd s TYR 970 Ca -0.02 0.03 -0.27 0.00 0.02 0.00 0.00 57.07 56.83 1nqd s TYR 970 Cb -0.05 -1.63 -0.10 0.00 -1.52 0.00 0.00 41.96 38.66 1nqd s TYR 970 CO -0.00 0.44 1.41 0.20 0.02 0.00 0.00 175.55 177.61 1nqd s GLY 971 N -1.60 2.94 -0.27 0.71 0.00 -0.45 -4.86 107.32 103.79 1nqd s GLY 971 Ca 0.19 1.44 -0.09 0.00 0.00 0.00 0.00 44.72 46.26 1nqd s GLY 971 CO 0.10 2.08 0.12 1.20 0.00 0.00 0.00 173.10 176.61 1nqd s GLN 972 N -2.17 3.66 0.08 2.90 -1.52 0.09 -4.76 119.66 117.93 1nqd s GLN 972 Ca 0.55 -0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 53.17 1nqd s GLN 972 Cb -0.43 -3.48 -0.05 0.00 -0.22 0.00 0.00 33.01 28.83 1nqd s GLN 972 CO 0.57 -0.24 1.01 0.08 -0.25 0.00 0.00 175.29 176.46 1nqd s VAL 973 N 1.66 4.49 -0.35 1.09 1.01 -1.26 -1.48 120.40 125.56 1nqd s VAL 973 Ca 0.06 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.01 1nqd s VAL 973 Cb -0.16 -4.24 0.16 0.00 0.00 0.00 0.00 36.38 32.14 1nqd s VAL 973 CO 0.06 0.24 0.41 -0.62 0.00 0.00 0.00 175.10 175.19 1nqd s ASP 974 N 0.44 0.66 1.62 3.32 3.68 0.32 -5.00 116.67 121.72 1nqd s ASP 974 Ca 0.50 -1.08 0.00 0.00 2.13 0.00 0.00 52.55 54.10 1nqd s ASP 974 Cb -0.24 0.88 0.00 0.00 -1.45 0.00 0.00 42.92 42.11 1nqd s ASP 974 CO 0.30 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 175.92 1nqd n GLY 975 N 4.66 3.05 1.49 2.66 0.00 -1.26 -2.44 105.19 113.34 1nqd n GLY 975 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1nqd n GLY 975 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nqd n ASN 976 N 9.56 4.41 -4.24 1.61 2.04 -1.26 -4.90 115.26 122.48 1nqd n ASN 976 Ca 0.00 -2.24 -0.29 0.00 -0.44 0.00 0.00 54.58 51.61 1nqd n ASN 976 Cb 0.00 -0.54 -0.16 0.00 -2.53 0.00 0.00 39.78 36.55 1nqd n ASN 976 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1nqd s LYS 977 N -1.46 1.93 -0.25 -3.83 1.02 -1.02 -0.93 119.74 115.19 1nqd s LYS 977 Ca 0.50 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1nqd s LYS 977 Cb 0.30 -1.81 0.06 0.00 -0.52 0.00 0.00 37.83 35.86 1nqd s LYS 977 CO 0.29 0.45 -0.06 0.08 -0.92 0.00 0.00 175.35 175.19 1nqd s VAL 978 N -0.42 1.68 0.15 3.17 1.01 0.29 -0.52 120.40 125.75 1nqd s VAL 978 Ca 0.06 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1nqd s VAL 978 Cb -0.10 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1nqd s VAL 978 CO 0.00 -0.12 -0.06 -0.44 0.00 0.00 0.00 175.10 174.48 1nqd s SER 979 N 1.32 1.47 -0.08 3.32 0.01 -0.55 -0.86 113.70 118.33 1nqd s SER 979 Ca -0.05 -1.07 -0.30 0.00 1.31 0.00 0.00 55.95 55.84 1nqd s SER 979 Cb -0.19 0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.21 1nqd s SER 979 CO -0.06 -0.45 0.96 0.21 0.41 0.00 0.00 173.24 174.31 1nqd s ASN 980 N -3.15 -0.34 -0.20 2.44 3.84 -0.73 -0.73 114.94 116.07 1nqd s ASN 980 Ca 0.18 0.13 0.01 0.00 0.21 0.00 0.00 52.86 53.39 1nqd s ASN 980 Cb 0.04 0.33 0.04 0.00 -0.55 0.00 0.00 41.25 41.12 1nqd s ASN 980 CO 0.01 -0.49 -0.12 -0.75 -2.79 0.00 0.00 177.10 172.95 1nqd s LYS 981 N -2.40 2.26 -0.05 0.43 2.20 -1.26 -0.68 119.74 120.25 1nqd s LYS 981 Ca 0.03 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1nqd s LYS 981 Cb -0.01 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1nqd s LYS 981 CO -0.05 -0.40 -0.14 0.14 -0.36 0.00 0.00 175.35 174.55 1nqd s VAL 982 N 1.33 1.20 -0.42 4.02 -7.23 0.16 -4.92 120.40 114.53 1nqd s VAL 982 Ca -0.01 -0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 59.31 1nqd s VAL 982 Cb -0.16 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.74 1nqd s VAL 982 CO -0.09 0.36 1.36 -0.75 -0.31 0.00 0.00 175.10 175.67 1nqd s LYS 983 N 0.30 3.61 0.01 4.82 2.47 -1.26 0.01 119.74 129.69 1nqd s LYS 983 Ca -0.08 0.88 0.04 0.00 -1.56 0.00 0.00 55.97 55.25 1nqd s LYS 983 Cb -0.12 -4.00 -0.03 0.00 -1.46 0.00 0.00 37.83 32.21 1nqd s LYS 983 CO 0.02 -1.52 -0.09 -0.51 0.16 0.00 0.00 175.35 173.41 1nqd s LEU 984 N 5.23 3.04 0.51 5.43 1.43 -0.25 -4.94 118.68 129.13 1nqd s LEU 984 Ca 0.59 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1nqd s LEU 984 Cb -0.12 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1nqd s LEU 984 CO 0.32 0.28 0.84 -0.13 0.23 0.00 0.00 176.35 177.90 1nqd s ARG 985 N -1.37 3.56 0.51 1.70 0.52 -1.26 -1.65 118.95 120.95 1nqd s ARG 985 Ca 0.16 0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 55.47 1nqd s ARG 985 Cb -0.11 -2.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.99 1nqd s ARG 985 CO 0.07 -0.29 1.33 -2.30 0.02 0.00 0.00 175.30 174.13 1nqd n PRO 986 N -2.37 1.80 0.00 3.54 -0.02 -1.26 -4.78 135.00 131.92 1nqd n PRO 986 Ca 0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1nqd n PRO 986 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1nqd n PRO 986 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqd n GLY 987 N 0.76 1.99 3.82 -1.23 0.00 -0.32 -4.94 105.19 105.27 1nqd n GLY 987 Ca 0.09 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1nqd n GLY 987 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nqd s LYS 988 N -1.98 3.98 0.16 1.61 2.20 -1.26 -0.17 119.74 124.29 1nqd s LYS 988 Ca 0.00 0.42 0.09 0.00 -0.36 0.00 0.00 55.97 56.12 1nqd s LYS 988 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1nqd s LYS 988 CO 0.00 0.62 -0.20 0.71 -0.36 0.00 0.00 175.35 176.13 1nqd s TYR 989 N -0.87 1.89 -0.07 4.03 1.51 0.76 -1.22 117.35 123.39 1nqd s TYR 989 Ca 0.24 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1nqd s TYR 989 Cb -0.17 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1nqd s TYR 989 CO 0.13 0.33 -0.18 0.71 -1.11 0.00 0.00 175.55 175.43 1nqd s TYR 990 N -1.81 2.62 -0.22 2.71 1.51 0.74 -1.30 117.35 121.59 1nqd s TYR 990 Ca 0.15 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1nqd s TYR 990 Cb -0.07 -1.66 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 1nqd s TYR 990 CO 0.07 -0.05 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.24 1nqd s LEU 991 N -0.30 2.34 -0.39 -1.29 2.96 0.51 -0.74 118.68 121.77 1nqd s LEU 991 Ca 0.02 -1.09 -0.21 0.00 -0.22 0.00 0.00 54.13 52.62 1nqd s LEU 991 Cb -0.13 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.48 1nqd s LEU 991 CO 0.03 -0.24 0.67 -0.22 -1.32 0.00 0.00 176.35 175.26 1nqd s LEU 992 N 1.46 4.31 -0.20 -0.68 2.96 0.06 -0.56 118.68 126.04 1nqd s LEU 992 Ca -0.05 0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1nqd s LEU 992 Cb -0.18 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1nqd s LEU 992 CO -0.07 -0.69 0.41 -0.69 -1.32 0.00 0.00 176.35 174.00 1nqd s VAL 993 N 2.83 5.19 0.06 1.68 1.01 -0.12 -0.54 120.40 130.52 1nqd s VAL 993 Ca 0.25 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1nqd s VAL 993 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1nqd s VAL 993 CO 0.17 0.25 0.20 -0.72 0.00 0.00 0.00 175.10 175.00 1nqd s TYR 994 N 1.27 0.09 0.19 5.22 -0.85 -0.67 -0.20 117.35 122.41 1nqd s TYR 994 Ca 0.20 -0.39 0.09 0.00 -0.52 0.00 0.00 57.07 56.45 1nqd s TYR 994 Cb -0.15 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1nqd s TYR 994 CO 0.08 -0.48 -0.08 -1.59 -1.52 0.00 0.00 175.55 171.96 1nqd s LYS 995 N -3.07 2.09 -0.00 -3.49 -2.85 -0.61 -0.81 119.74 111.00 1nqd s LYS 995 Ca -0.01 -1.30 0.02 0.00 -1.00 0.00 0.00 55.97 53.68 1nqd s LYS 995 Cb 0.01 -2.15 -0.02 0.00 -2.06 0.00 0.00 37.83 33.61 1nqd s LYS 995 CO -0.07 0.42 0.06 2.48 0.10 0.00 0.00 175.35 178.34 1nqd n TYR 996 N -0.10 0.00 -3.58 1.78 0.18 0.32 -4.98 117.16 110.79 1nqd n TYR 996 Ca -0.10 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.53 1nqd n TYR 996 Cb 0.56 -0.01 -0.06 0.00 -0.38 0.00 0.00 39.34 39.45 1nqd n TYR 996 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1nqd s SER 997 N -1.47 -0.48 0.40 9.48 1.04 -1.07 -4.97 113.70 116.63 1nqd s SER 997 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1nqd s SER 997 Cb 0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1nqd s SER 997 CO 0.07 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1nqd n GLY 998 N 0.64 -0.53 3.21 7.32 0.00 -1.26 -1.52 105.19 113.05 1nqd n GLY 998 Ca -0.19 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1nqd n GLY 998 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqd s SER 999 N -4.00 -0.21 0.00 1.61 0.01 -1.26 -4.78 113.70 105.08 1nqd s SER 999 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1nqd s SER 999 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1nqd s SER 999 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1nqd n GLY 1000N 1.83 -1.24 3.51 3.44 0.00 -0.95 -4.71 105.19 107.07 1nqd n GLY 1000Ca -0.19 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 1nqd n GLY 1000CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqd s ASN 1001N -4.00 3.85 0.19 1.61 0.01 -1.26 -0.27 114.94 115.06 1nqd s ASN 1001Ca 0.00 -0.81 -0.14 0.00 -0.71 0.00 0.00 52.86 51.19 1nqd s ASN 1001Cb 0.00 -0.47 0.01 0.00 0.41 0.00 0.00 41.25 41.20 1nqd s ASN 1001CO 0.00 0.07 0.44 -0.72 -1.51 0.00 0.00 177.10 175.38 1nqd s TYR 1002N -2.04 0.09 0.14 2.20 -0.85 -0.49 0.02 117.35 116.42 1nqd s TYR 1002Ca 0.26 -0.44 0.10 0.00 -0.52 0.00 0.00 57.07 56.47 1nqd s TYR 1002Cb -0.07 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1nqd s TYR 1002CO 0.14 -0.85 -0.23 -1.21 -1.52 0.00 0.00 175.55 171.88 1nqd s GLU 1003N -3.91 1.32 -0.03 -3.49 2.02 -0.48 -1.24 118.70 112.89 1nqd s GLU 1003Ca 0.13 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.80 1nqd s GLU 1003Cb 0.01 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.61 1nqd s GLU 1003CO -0.01 0.37 -0.08 -1.17 0.02 0.00 0.00 175.26 174.38 1nqd s LEU 1004N -2.25 1.75 -0.02 1.80 2.96 -0.03 -0.92 118.68 121.97 1nqd s LEU 1004Ca 0.13 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1nqd s LEU 1004Cb -0.09 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1nqd s LEU 1004CO 0.06 0.05 0.04 -0.60 -1.32 0.00 0.00 176.35 174.59 1nqd s ARG 1005N 0.26 0.03 -0.29 1.98 3.52 -0.10 -0.54 118.95 123.81 1nqd s ARG 1005Ca -0.04 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 1nqd s ARG 1005Cb -0.09 -0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1nqd s ARG 1005CO 0.00 -0.05 0.02 0.08 -0.81 0.00 0.00 175.30 174.55 1nqd s VAL 1006N 0.29 3.27 -0.17 7.11 1.01 -1.26 -0.84 120.40 129.80 1nqd s VAL 1006Ca -0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 1nqd s VAL 1006Cb -0.03 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1nqd s VAL 1006CO -0.01 -0.01 0.11 0.20 0.00 0.00 0.00 175.10 175.40 1nqd s ASN 1007N 1.34 6.09 0.00 3.32 0.01 0.25 -0.63 114.94 125.33 1nqd s ASN 1007Ca -0.02 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1nqd s ASN 1007Cb -0.18 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1nqd s ASN 1007CO -0.01 0.24 0.00 1.17 -1.51 0.00 0.00 177.10 176.99