#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm1 s THR 870 N 0.00 4.48 0.43 0.52 -4.23 -1.26 -5.09 115.64 110.49 3gm1 s THR 870 Ca 0.00 -0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 59.42 3gm1 s THR 870 Cb 0.00 -3.19 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 3gm1 s THR 870 CO 0.00 0.06 0.58 0.00 -0.54 0.00 0.00 174.62 174.73 3gm1 n ALA 871 N 0.25 -1.33 -3.37 3.99 0.00 -1.26 -4.95 120.51 113.83 3gm1 n ALA 871 Ca -0.09 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.07 3gm1 n ALA 871 Cb 0.52 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3gm1 n ALA 871 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gm1 s ASN 872 N -0.95 6.00 0.37 0.00 -0.87 -1.26 -5.04 114.94 113.19 3gm1 s ASN 872 Ca 0.64 -1.80 0.04 0.00 -1.57 0.00 0.00 52.86 50.16 3gm1 s ASN 872 Cb -0.59 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 38.46 3gm1 s ASN 872 CO 0.58 -0.78 0.07 -0.76 -2.57 0.00 0.00 177.10 173.63 3gm1 s LEU 873 N 1.51 2.21 -0.58 0.60 1.43 -1.26 -4.21 118.68 118.38 3gm1 s LEU 873 Ca 0.04 -1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 51.40 3gm1 s LEU 873 Cb -0.28 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 3gm1 s LEU 873 CO 0.02 -0.69 1.81 -0.62 0.23 0.00 0.00 176.35 177.10 3gm1 s ASP 874 N -3.57 5.41 0.24 2.29 3.68 -0.16 -4.11 116.67 120.44 3gm1 s ASP 874 Ca 0.31 0.41 0.23 0.00 2.13 0.00 0.00 52.55 55.62 3gm1 s ASP 874 Cb 0.07 -2.53 0.10 0.00 -1.45 0.00 0.00 42.92 39.11 3gm1 s ASP 874 CO 0.14 -2.26 1.18 0.03 0.13 0.00 0.00 175.17 174.40 3gm1 h ARG 875 N 14.38 0.00 -0.86 4.34 2.47 -1.93 -3.38 114.38 129.40 3gm1 h ARG 875 Ca -0.27 0.00 0.32 0.00 -1.26 0.00 0.00 59.98 58.77 3gm1 h ARG 875 Cb 1.16 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.32 3gm1 h ARG 875 CO 1.20 0.00 0.32 0.25 0.56 0.00 0.00 179.97 182.30 3gm1 n THR 876 N -2.70 -0.36 -0.92 2.04 -2.24 -1.26 -0.14 114.28 108.70 3gm1 n THR 876 Ca 0.01 1.79 0.08 0.00 -2.27 0.00 0.00 64.05 63.67 3gm1 n THR 876 Cb 0.53 -2.82 0.27 0.00 -2.10 0.00 0.00 70.33 66.21 3gm1 n THR 876 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gm1 n ASP 877 N -5.04 3.98 -4.36 3.42 10.43 -1.26 -4.91 116.55 118.81 3gm1 n ASP 877 Ca 0.29 -2.92 -0.46 0.00 2.57 0.00 0.00 54.79 54.27 3gm1 n ASP 877 Cb 0.97 -0.53 -0.02 0.00 1.84 0.00 0.00 41.12 43.37 3gm1 n ASP 877 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3gm1 s ASP 878 N -1.75 6.69 0.34 -2.24 -1.08 0.80 -4.85 116.67 114.58 3gm1 s ASP 878 Ca 0.42 -2.44 0.10 0.00 -0.52 0.00 0.00 52.55 50.10 3gm1 s ASP 878 Cb 0.33 -2.26 0.61 0.00 -1.46 0.00 0.00 42.92 40.13 3gm1 s ASP 878 CO 0.10 -0.73 1.78 -0.07 0.52 0.00 0.00 175.17 176.77 3gm1 h LEU 879 N 8.58 0.13 0.69 -1.34 3.38 -1.91 -1.68 115.31 123.16 3gm1 h LEU 879 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gm1 h LEU 879 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3gm1 h LEU 879 CO 0.87 0.49 -0.50 0.58 0.09 0.00 0.00 178.44 179.97 3gm1 h VAL 880 N 0.11 0.01 -0.83 1.22 2.07 -1.88 -1.19 116.25 115.75 3gm1 h VAL 880 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.72 3gm1 h VAL 880 Cb 0.70 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 3gm1 h VAL 880 CO 0.05 0.00 0.32 0.22 0.02 0.00 0.00 177.57 178.18 3gm1 h TYR 881 N -1.14 0.53 -0.08 1.57 3.20 -1.85 -0.23 116.97 118.96 3gm1 h TYR 881 Ca -0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3gm1 h TYR 881 Cb 0.94 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 3gm1 h TYR 881 CO -0.16 -0.02 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.20 3gm1 h LEU 882 N 0.39 0.20 -2.07 2.82 3.38 -1.23 -2.50 115.31 116.30 3gm1 h LEU 882 Ca 0.49 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3gm1 h LEU 882 Cb 0.86 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3gm1 h LEU 882 CO -0.49 0.63 0.30 0.78 0.09 0.00 0.00 178.44 179.75 3gm1 h ASN 883 N -0.22 0.00 -0.01 -0.43 -0.26 -0.63 0.12 115.58 114.15 3gm1 h ASN 883 Ca 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3gm1 h ASN 883 Cb 0.57 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3gm1 h ASN 883 CO 0.02 0.00 -0.01 0.58 -1.06 0.00 0.00 177.43 176.96 3gm1 h VAL 884 N 0.00 1.42 -0.30 2.81 2.07 -0.76 -2.10 116.25 119.39 3gm1 h VAL 884 Ca 0.16 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3gm1 h VAL 884 Cb 0.77 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3gm1 h VAL 884 CO -0.00 0.33 0.03 0.24 0.02 0.00 0.00 177.57 178.19 3gm1 h MET 885 N -0.50 0.13 -0.20 1.57 2.86 -0.84 0.14 114.93 118.10 3gm1 h MET 885 Ca 0.00 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3gm1 h MET 885 Cb 0.54 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3gm1 h MET 885 CO 0.00 0.09 -0.08 0.93 1.06 0.00 0.00 176.91 178.91 3gm1 h GLU 886 N 0.13 -0.05 -0.61 1.72 5.08 -1.06 0.49 114.58 120.28 3gm1 h GLU 886 Ca 0.14 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3gm1 h GLU 886 Cb 0.17 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 3gm1 h GLU 886 CO -0.21 -0.03 0.29 1.25 -1.00 0.00 0.00 179.01 179.31 3gm1 h LEU 887 N -0.05 0.37 -0.81 1.33 6.46 -0.81 0.20 115.31 122.00 3gm1 h LEU 887 Ca 0.11 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3gm1 h LEU 887 Cb 0.21 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3gm1 h LEU 887 CO -0.24 0.24 0.50 0.58 -0.62 0.00 0.00 178.44 178.90 3gm1 h VAL 888 N 0.53 1.22 0.22 1.05 2.07 0.33 0.84 116.25 122.50 3gm1 h VAL 888 Ca 0.29 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3gm1 h VAL 888 Cb 0.27 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3gm1 h VAL 888 CO -0.23 0.23 -0.27 -0.09 0.02 0.00 0.00 177.57 177.22 3gm1 h ARG 889 N 1.11 -0.52 -0.59 1.57 9.65 0.14 0.37 114.38 126.10 3gm1 h ARG 889 Ca 0.29 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.29 3gm1 h ARG 889 Cb -0.06 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.57 3gm1 h ARG 889 CO -0.06 -0.35 0.24 0.00 2.80 0.00 0.00 179.97 182.60 3gm1 h ALA 890 N 0.11 0.76 -0.65 2.80 0.00 -0.34 0.45 119.26 122.39 3gm1 h ALA 890 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gm1 h ALA 890 Cb 0.52 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gm1 h ALA 890 CO -0.09 -0.16 0.43 0.28 0.00 0.00 0.00 179.25 179.71 3gm1 h VAL 891 N 0.44 1.17 -0.53 0.00 2.07 -0.52 -1.88 116.25 117.00 3gm1 h VAL 891 Ca 0.29 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3gm1 h VAL 891 Cb 0.32 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3gm1 h VAL 891 CO -0.27 0.16 0.20 -0.07 0.02 0.00 0.00 177.57 177.61 3gm1 h LEU 892 N 0.88 0.70 0.68 2.57 3.38 0.20 -2.36 115.31 121.37 3gm1 h LEU 892 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gm1 h LEU 892 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3gm1 h LEU 892 CO -0.05 0.64 -0.45 -0.33 0.09 0.00 0.00 178.44 178.34 3gm1 h GLU 893 N 0.76 -1.03 -0.19 1.13 5.08 0.53 -3.14 114.58 117.71 3gm1 h GLU 893 Ca 0.18 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3gm1 h GLU 893 Cb 0.17 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3gm1 h GLU 893 CO -0.01 -0.69 -0.11 -0.11 -1.00 0.00 0.00 179.01 177.08 3gm1 n LEU 894 N -5.57 -0.20 -0.11 1.33 0.00 -0.79 -2.70 117.00 108.95 3gm1 n LEU 894 Ca -0.14 1.14 -0.03 0.00 0.00 0.00 0.00 56.01 56.99 3gm1 n LEU 894 Cb 0.46 -0.45 -0.03 0.00 0.00 0.00 0.00 43.42 43.41 3gm1 n LEU 894 CO 0.34 -0.68 0.33 0.29 0.00 0.00 0.00 177.39 177.67 3gm1 n LYS 895 N -3.43 -0.12 -1.76 1.96 4.76 -0.92 -0.79 118.16 117.87 3gm1 n LYS 895 Ca 0.00 0.82 -0.34 0.00 -2.87 0.00 0.00 58.31 55.92 3gm1 n LYS 895 Cb 0.05 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 3gm1 n LYS 895 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3gm1 n ASN 896 N -3.54 7.06 0.00 4.39 0.23 -1.11 -3.59 115.26 118.70 3gm1 n ASN 896 Ca 0.01 -3.52 0.00 0.00 -0.53 0.00 0.00 54.58 50.54 3gm1 n ASN 896 Cb 0.07 -1.16 0.00 0.00 -2.08 0.00 0.00 39.78 36.61 3gm1 n ASN 896 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gm1 n GLU 897 N 0.22 0.00 0.11 -3.83 1.02 0.03 -4.94 120.64 113.25 3gm1 n GLU 897 Ca 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 3gm1 n GLU 897 Cb 0.38 -0.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.68 3gm1 n GLU 897 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gm1 h LEU 898 N 0.00 -0.23 -0.90 -4.62 3.38 -1.46 0.74 115.31 112.22 3gm1 h LEU 898 Ca 0.00 -0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.00 3gm1 h LEU 898 Cb 0.09 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 3gm1 h LEU 898 CO 0.00 0.08 0.39 0.00 0.09 0.00 0.00 178.44 179.00 3gm1 h ALA 899 N 0.16 1.45 0.04 1.53 0.00 -1.88 -2.96 119.26 117.60 3gm1 h ALA 899 Ca -0.03 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gm1 h ALA 899 Cb 0.42 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gm1 h ALA 899 CO 0.05 -0.37 -0.02 1.96 0.00 0.00 0.00 179.25 180.86 3gm1 h GLN 900 N 0.37 -0.05 -6.60 0.00 7.50 -1.91 -3.48 115.11 110.94 3gm1 h GLN 900 Ca 0.57 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 59.14 3gm1 h GLN 900 Cb 1.11 0.01 0.11 0.00 0.05 0.00 0.00 27.48 28.76 3gm1 h GLN 900 CO -0.55 0.48 0.30 1.28 -1.50 0.00 0.00 178.83 178.84 3gm1 n LEU 901 N -4.74 2.63 -4.81 1.46 4.77 0.25 -5.04 117.00 111.51 3gm1 n LEU 901 Ca -0.06 1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 56.81 3gm1 n LEU 901 Cb 0.27 -1.38 0.10 0.00 -2.33 0.00 0.00 43.42 40.08 3gm1 n LEU 901 CO 0.21 -0.98 0.72 -2.16 -1.33 0.00 0.00 177.39 173.85 3gm1 s PRO 902 N -1.72 1.86 0.24 3.23 0.04 -1.26 -4.92 135.00 132.47 3gm1 s PRO 902 Ca 0.57 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 3gm1 s PRO 902 Cb -0.64 -1.91 0.43 0.00 0.04 0.00 0.00 34.50 32.43 3gm1 s PRO 902 CO 0.61 -1.74 1.76 -1.35 0.04 0.00 0.00 177.00 176.32 3gm1 h PRO 903 N -1.17 0.56 0.00 0.56 0.11 -1.95 -0.26 132.00 129.85 3gm1 h PRO 903 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3gm1 h PRO 903 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gm1 h PRO 903 CO 0.61 0.37 -0.08 1.05 -0.21 0.00 0.00 178.00 179.74 3gm1 h GLU 904 N 0.57 0.00 0.00 1.05 4.11 -1.96 -2.34 114.58 116.01 3gm1 h GLU 904 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 3gm1 h GLU 904 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3gm1 h GLU 904 CO -0.33 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.23 3gm1 n GLY 905 N -0.03 -1.34 0.22 1.06 0.00 -0.12 -3.40 105.19 101.59 3gm1 n GLY 905 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3gm1 n GLY 905 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gm1 h TYR 906 N 0.00 0.87 -0.95 1.61 0.99 -1.25 -3.26 116.97 114.97 3gm1 h TYR 906 Ca 0.00 -0.23 0.14 0.00 2.00 0.00 0.00 58.73 60.64 3gm1 h TYR 906 Cb 0.43 -0.19 -0.09 0.00 1.00 0.00 0.00 36.73 37.87 3gm1 h TYR 906 CO 0.00 0.97 0.57 0.28 -0.00 0.00 0.00 178.16 179.98 3gm1 h VAL 907 N 0.51 0.82 -0.14 -2.88 2.07 -1.73 -2.40 116.25 112.50 3gm1 h VAL 907 Ca 0.07 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3gm1 h VAL 907 Cb 0.78 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3gm1 h VAL 907 CO 0.06 0.15 0.01 0.58 0.02 0.00 0.00 177.57 178.40 3gm1 h VAL 908 N 0.83 1.24 -0.18 2.57 2.07 -1.75 -0.18 116.25 120.85 3gm1 h VAL 908 Ca 0.50 -0.76 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 3gm1 h VAL 908 Cb 0.61 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3gm1 h VAL 908 CO -0.31 0.23 -0.55 -0.37 0.02 0.00 0.00 177.57 176.58 3gm1 h VAL 909 N 0.00 1.32 -0.24 2.57 -1.51 -1.60 -2.28 116.25 114.51 3gm1 h VAL 909 Ca 0.04 -1.80 -0.11 0.00 -1.23 0.00 0.00 66.70 63.60 3gm1 h VAL 909 Cb 0.33 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3gm1 h VAL 909 CO 0.00 0.56 -0.33 0.58 -1.23 0.00 0.00 177.57 177.15 3gm1 h VAL 910 N 0.41 1.29 -0.81 7.19 2.07 -1.44 -2.85 116.25 122.11 3gm1 h VAL 910 Ca 0.01 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3gm1 h VAL 910 Cb 1.09 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3gm1 h VAL 910 CO 0.10 0.45 0.40 0.50 0.02 0.00 0.00 177.57 179.04 3gm1 h LYS 911 N 0.43 1.15 -0.45 1.57 3.64 -0.61 -1.87 116.57 120.42 3gm1 h LYS 911 Ca 0.05 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3gm1 h LYS 911 Cb 0.79 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3gm1 h LYS 911 CO 0.06 0.87 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.96 3gm1 h ASN 912 N 1.14 0.99 -0.05 4.20 -0.26 -1.30 0.24 115.58 120.53 3gm1 h ASN 912 Ca 0.28 -0.39 0.02 0.00 -0.56 0.00 0.00 56.30 55.66 3gm1 h ASN 912 Cb 0.09 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 3gm1 h ASN 912 CO -0.04 1.17 -0.10 0.58 -1.06 0.00 0.00 177.43 177.99 3gm1 h VAL 913 N 0.82 0.74 -0.54 2.81 2.07 -1.38 -0.67 116.25 120.10 3gm1 h VAL 913 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 3gm1 h VAL 913 Cb 0.82 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3gm1 h VAL 913 CO 0.07 0.00 0.23 1.23 0.02 0.00 0.00 177.57 179.12 3gm1 h GLY 914 N -0.14 0.75 0.96 2.17 0.00 -0.96 -0.93 103.07 104.92 3gm1 h GLY 914 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3gm1 h GLY 914 CO -0.14 0.04 0.05 1.41 0.00 0.00 0.00 176.54 177.90 3gm1 h LEU 915 N 0.43 0.08 -1.48 3.11 3.38 -0.14 -0.86 115.31 119.83 3gm1 h LEU 915 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3gm1 h LEU 915 Cb 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gm1 h LEU 915 CO -0.23 0.06 -0.23 0.71 0.09 0.00 0.00 178.44 178.84 3gm1 h THR 916 N 0.11 0.78 -0.25 0.22 1.35 -0.88 -1.61 112.91 112.63 3gm1 h THR 916 Ca 0.04 -0.95 -0.11 0.00 -0.55 0.00 0.00 66.41 64.85 3gm1 h THR 916 Cb 0.00 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3gm1 h THR 916 CO -0.03 0.23 -0.26 0.25 -0.25 0.00 0.00 175.52 175.47 3gm1 h LEU 917 N 0.00 0.66 -0.81 3.87 5.85 -0.60 -1.50 115.31 122.79 3gm1 h LEU 917 Ca -0.00 -0.48 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 3gm1 h LEU 917 Cb 0.56 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3gm1 h LEU 917 CO 0.03 1.00 -0.47 0.08 -0.34 0.00 0.00 178.44 178.74 3gm1 h ARG 918 N 0.34 0.29 0.13 1.25 0.11 -0.76 0.35 114.38 116.09 3gm1 h ARG 918 Ca 0.04 -0.16 0.01 0.00 0.10 0.00 0.00 59.98 59.97 3gm1 h ARG 918 Cb 0.82 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.89 3gm1 h ARG 918 CO 0.06 0.70 -0.15 -0.22 0.10 0.00 0.00 179.97 180.47 3gm1 h LYS 919 N 0.24 -0.31 0.32 0.08 3.64 -1.31 -1.62 116.57 117.61 3gm1 h LYS 919 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3gm1 h LYS 919 Cb 0.92 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3gm1 h LYS 919 CO 0.08 -0.20 -0.44 1.25 -2.27 0.00 0.00 179.45 177.86 3gm1 h LEU 920 N -0.32 -1.24 -1.78 5.20 6.46 -0.83 -2.23 115.31 120.58 3gm1 h LEU 920 Ca 0.01 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 3gm1 h LEU 920 Cb 0.31 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 3gm1 h LEU 920 CO -0.05 -0.56 0.25 0.40 -0.62 0.00 0.00 178.44 177.86 3gm1 h ILE 921 N -0.81 0.96 -0.52 4.05 2.04 -0.95 -1.61 117.51 120.66 3gm1 h ILE 921 Ca -0.02 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3gm1 h ILE 921 Cb 0.75 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3gm1 h ILE 921 CO -0.13 0.05 -0.07 1.23 0.00 0.00 0.00 178.15 179.23 3gm1 h GLY 922 N 0.28 1.02 2.00 5.37 0.00 -0.72 -0.98 103.07 110.04 3gm1 h GLY 922 Ca 0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 3gm1 h GLY 922 CO -0.03 0.71 -0.17 1.48 0.00 0.00 0.00 176.54 178.53 3gm1 h SER 923 N 0.85 0.00 0.05 0.19 4.64 -0.81 -2.20 113.55 116.28 3gm1 h SER 923 Ca 0.14 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.27 3gm1 h SER 923 Cb 0.60 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3gm1 h SER 923 CO 0.04 0.17 -0.79 0.58 -0.87 0.00 0.00 176.83 175.96 3gm1 h VAL 924 N 0.00 1.41 -0.82 0.95 2.07 -1.25 -3.24 116.25 115.37 3gm1 h VAL 924 Ca -0.00 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.28 3gm1 h VAL 924 Cb 1.11 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.56 3gm1 h VAL 924 CO 0.02 0.66 0.54 0.44 0.02 0.00 0.00 177.57 179.26 3gm1 h ASP 925 N -0.06 0.91 0.03 0.57 3.45 -1.13 0.10 116.42 120.29 3gm1 h ASP 925 Ca -0.11 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 3gm1 h ASP 925 Cb 1.52 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3gm1 h ASP 925 CO 0.15 0.64 -0.02 0.44 -1.57 0.00 0.00 179.24 178.89 3gm1 h ASP 926 N 1.07 0.00 0.09 6.45 3.32 -1.48 -3.15 116.42 122.71 3gm1 h ASP 926 Ca 0.31 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.02 3gm1 h ASP 926 Cb -0.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3gm1 h ASP 926 CO -0.08 0.02 -1.88 0.18 -1.72 0.00 0.00 179.24 175.76 3gm1 n LEU 927 N -4.28 2.47 -0.24 1.55 4.32 -0.57 -4.53 117.00 115.72 3gm1 n LEU 927 Ca -0.03 0.24 0.15 0.00 -0.02 0.00 0.00 56.01 56.35 3gm1 n LEU 927 Cb 0.11 -1.07 0.28 0.00 -1.62 0.00 0.00 43.42 41.12 3gm1 n LEU 927 CO 0.32 0.72 0.63 0.18 -1.22 0.00 0.00 177.39 178.02 3gm1 n LEU 928 N -3.71 0.04 0.00 2.23 7.99 0.25 -1.38 117.00 122.42 3gm1 n LEU 928 Ca -0.34 1.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.85 3gm1 n LEU 928 Cb 0.96 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 3gm1 n LEU 928 CO 0.35 -1.24 0.40 -0.81 -1.51 0.00 0.00 177.39 174.58 3gm1 n PRO 929 N -4.82 0.00 -0.96 3.23 -0.04 -1.26 -3.52 135.00 127.62 3gm1 n PRO 929 Ca 0.20 0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 63.95 3gm1 n PRO 929 Cb 0.67 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 3gm1 n PRO 929 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gm1 n SER 930 N -1.99 2.75 -3.61 3.54 3.41 -0.48 -4.79 113.62 112.45 3gm1 n SER 930 Ca 0.00 -2.57 -0.05 0.00 -0.26 0.00 0.00 58.87 56.00 3gm1 n SER 930 Cb 0.00 -1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 62.89 3gm1 n SER 930 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3gm1 s LEU 931 N 0.80 -0.15 0.40 1.04 0.05 -1.23 -5.01 118.68 114.57 3gm1 s LEU 931 Ca 0.53 0.11 -0.26 0.00 0.05 0.00 0.00 54.13 54.55 3gm1 s LEU 931 Cb 0.13 1.38 -0.10 0.00 -2.05 0.00 0.00 46.19 45.55 3gm1 s LEU 931 CO 0.10 -0.19 1.31 -0.81 -0.55 0.00 0.00 176.35 176.22 3gm1 n PRO 932 N 0.32 2.09 0.14 1.48 -0.04 -1.26 -4.68 135.00 133.05 3gm1 n PRO 932 Ca -0.02 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 3gm1 n PRO 932 Cb 0.58 -2.42 0.48 0.00 -0.04 0.00 0.00 33.50 32.11 3gm1 n PRO 932 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gm1 h SER 933 N 2.32 0.00 1.42 3.54 4.64 -1.96 0.16 113.55 123.67 3gm1 h SER 933 Ca -0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 3gm1 h SER 933 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3gm1 h SER 933 CO 0.61 0.00 -0.46 -1.28 -0.87 0.00 0.00 176.83 174.83 3gm1 h SER 934 N 0.00 0.00 0.12 4.97 0.87 -2.01 -3.25 113.55 114.25 3gm1 h SER 934 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 3gm1 h SER 934 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3gm1 h SER 934 CO 0.00 0.46 -1.88 0.28 -0.53 0.00 0.00 176.83 175.16 3gm1 h SER 935 N 0.00 0.41 -1.70 6.23 0.02 -1.46 -3.30 113.55 113.75 3gm1 h SER 935 Ca -0.00 -0.92 0.49 0.00 -0.84 0.00 0.00 61.79 60.52 3gm1 h SER 935 Cb 1.30 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 3gm1 h SER 935 CO 0.06 1.81 1.37 0.54 -1.14 0.00 0.00 176.83 179.48 3gm1 n ARG 936 N -3.60 0.00 -0.07 3.45 1.74 0.38 -1.39 116.66 117.18 3gm1 n ARG 936 Ca -0.31 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 3gm1 n ARG 936 Cb 1.02 -2.52 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 3gm1 n ARG 936 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gm1 h THR 937 N 0.00 0.81 0.00 0.55 2.02 -1.63 -1.89 112.91 112.77 3gm1 h THR 937 Ca 0.81 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3gm1 h THR 937 Cb 3.54 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 71.59 3gm1 h THR 937 CO -0.01 0.27 0.00 1.05 0.37 0.00 0.00 175.52 177.21 3gm1 h GLU 938 N -1.00 0.00 0.35 6.66 4.11 -1.58 0.38 114.58 123.50 3gm1 h GLU 938 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 3gm1 h GLU 938 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3gm1 h GLU 938 CO -0.05 0.00 -0.17 0.82 0.07 0.00 0.00 179.01 179.69 3gm1 h ILE 939 N 0.00 0.00 -0.36 -1.06 2.04 -1.33 -1.80 117.51 115.01 3gm1 h ILE 939 Ca 0.00 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.38 3gm1 h ILE 939 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3gm1 h ILE 939 CO 0.00 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 178.33 3gm1 h GLU 940 N -1.05 0.00 0.78 2.37 5.08 -1.29 -0.10 114.58 120.37 3gm1 h GLU 940 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3gm1 h GLU 940 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gm1 h GLU 940 CO 0.08 0.00 -0.37 0.78 -1.00 0.00 0.00 179.01 178.50 3gm1 h GLY 941 N 0.00 -1.09 2.00 -3.84 0.00 -0.05 -2.60 103.07 97.49 3gm1 h GLY 941 Ca 0.17 0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 3gm1 h GLY 941 CO -0.00 -0.40 -0.26 -0.91 0.00 0.00 0.00 176.54 174.98 3gm1 h THR 942 N -1.23 0.52 -0.53 4.70 1.35 -0.46 -2.77 112.91 114.49 3gm1 h THR 942 Ca -0.11 -1.39 0.02 0.00 -0.55 0.00 0.00 66.41 64.39 3gm1 h THR 942 Cb 0.81 1.99 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 3gm1 h THR 942 CO 0.18 0.25 0.32 -0.61 -0.25 0.00 0.00 175.52 175.41 3gm1 h GLN 943 N 0.00 0.62 -0.33 4.72 4.15 -1.06 0.23 115.11 123.44 3gm1 h GLN 943 Ca -0.00 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.39 3gm1 h GLN 943 Cb 0.97 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 3gm1 h GLN 943 CO 0.03 0.41 0.20 -0.22 -1.93 0.00 0.00 178.83 177.32 3gm1 h LYS 944 N 0.64 0.40 -0.30 1.69 3.64 -1.36 -2.92 116.57 118.35 3gm1 h LYS 944 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3gm1 h LYS 944 Cb 0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3gm1 h LYS 944 CO -0.09 0.26 0.14 1.25 -2.27 0.00 0.00 179.45 178.75 3gm1 h LEU 945 N 0.41 0.36 -0.54 5.20 5.85 -0.99 -2.33 115.31 123.26 3gm1 h LEU 945 Ca 0.13 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3gm1 h LEU 945 Cb -0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3gm1 h LEU 945 CO -0.05 0.31 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.67 3gm1 h LEU 946 N 0.41 0.42 0.07 2.25 3.38 -0.41 0.29 115.31 121.73 3gm1 h LEU 946 Ca 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gm1 h LEU 946 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gm1 h LEU 946 CO -0.02 0.94 -0.03 0.78 0.09 0.00 0.00 178.44 180.20 3gm1 h ASN 947 N 0.27 -0.08 -0.74 -0.43 -0.26 -1.31 -0.81 115.58 112.22 3gm1 h ASN 947 Ca -0.01 -0.19 0.20 0.00 -0.56 0.00 0.00 56.30 55.73 3gm1 h ASN 947 Cb 1.16 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 38.40 3gm1 h ASN 947 CO 0.11 0.15 0.52 0.50 -1.06 0.00 0.00 177.43 177.64 3gm1 h LYS 948 N -0.31 0.13 -0.17 0.81 3.64 -1.23 0.33 116.57 119.77 3gm1 h LYS 948 Ca -0.01 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 3gm1 h LYS 948 Cb 0.27 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3gm1 h LYS 948 CO 0.02 0.08 -0.62 -0.44 -2.27 0.00 0.00 179.45 176.22 3gm1 h ASP 949 N 0.13 0.69 -0.04 4.20 5.19 -0.10 -2.88 116.42 123.61 3gm1 h ASP 949 Ca 0.36 -0.40 -0.17 0.00 -0.62 0.00 0.00 57.03 56.20 3gm1 h ASP 949 Cb 1.24 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 40.56 3gm1 h ASP 949 CO -0.05 1.15 -0.64 0.25 -3.12 0.00 0.00 179.24 176.83 3gm1 h LEU 950 N 0.45 0.63 -0.74 1.55 5.85 0.09 -2.48 115.31 120.67 3gm1 h LEU 950 Ca -0.01 -0.71 0.15 0.00 0.84 0.00 0.00 57.88 58.15 3gm1 h LEU 950 Cb 1.19 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.89 3gm1 h LEU 950 CO 0.12 1.25 -0.20 0.00 -0.34 0.00 0.00 178.44 179.28 3gm1 h ALA 951 N 0.39 0.46 -0.31 1.25 0.00 -1.04 0.19 119.26 120.21 3gm1 h ALA 951 Ca -0.07 0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 3gm1 h ALA 951 Cb 1.31 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 3gm1 h ALA 951 CO 0.13 -0.43 -0.51 0.93 0.00 0.00 0.00 179.25 179.37 3gm1 h GLU 952 N -0.01 0.90 -0.83 0.00 5.08 -1.49 -1.93 114.58 116.30 3gm1 h GLU 952 Ca 0.35 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3gm1 h GLU 952 Cb 0.55 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3gm1 h GLU 952 CO -0.77 1.19 0.46 1.25 -1.00 0.00 0.00 179.01 180.15 3gm1 h LEU 953 N 0.70 1.03 0.48 1.33 5.85 -0.87 0.10 115.31 123.93 3gm1 h LEU 953 Ca 0.03 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3gm1 h LEU 953 Cb 1.12 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3gm1 h LEU 953 CO 0.12 0.82 -0.23 0.40 -0.34 0.00 0.00 178.44 179.21 3gm1 h ILE 954 N 1.15 0.52 -0.42 4.05 2.04 -0.51 -1.87 117.51 122.47 3gm1 h ILE 954 Ca 0.29 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3gm1 h ILE 954 Cb 0.01 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3gm1 h ILE 954 CO -0.05 0.03 0.22 -1.13 0.00 0.00 0.00 178.15 177.22 3gm1 h ASN 955 N -0.74 0.51 0.75 1.72 -0.73 -1.16 0.25 115.58 116.16 3gm1 h ASN 955 Ca -0.07 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 57.99 3gm1 h ASN 955 Cb 0.54 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 3gm1 h ASN 955 CO 0.11 0.42 -0.38 0.11 -0.37 0.00 0.00 177.43 177.32 3gm1 h LYS 956 N 0.58 0.00 0.05 6.67 1.57 -0.80 -1.76 116.57 122.88 3gm1 h LYS 956 Ca 0.15 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 3gm1 h LYS 956 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.36 3gm1 h LYS 956 CO -0.02 0.38 -0.81 1.98 -0.57 0.00 0.00 179.45 180.40 3gm1 h MET 957 N 0.00 0.46 -0.27 3.15 4.05 0.02 -1.19 114.93 121.14 3gm1 h MET 957 Ca -0.00 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 3gm1 h MET 957 Cb 0.86 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 3gm1 h MET 957 CO 0.05 1.21 0.18 0.00 0.23 0.00 0.00 176.91 178.57 3gm1 h ARG 958 N -0.04 0.35 -0.04 0.39 -0.00 -0.64 -0.03 114.38 114.37 3gm1 h ARG 958 Ca -0.12 -0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.38 3gm1 h ARG 958 Cb 1.54 -0.08 -0.05 0.00 0.00 0.00 0.00 29.97 31.38 3gm1 h ARG 958 CO 0.16 0.23 -0.28 -0.07 0.00 0.00 0.00 179.97 180.01 3gm1 h LEU 959 N 0.36 -0.83 -0.98 3.04 3.38 -1.33 -0.40 115.31 118.54 3gm1 h LEU 959 Ca 0.10 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.35 3gm1 h LEU 959 Cb -0.03 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 3gm1 h LEU 959 CO -0.03 -0.34 0.60 0.00 0.09 0.00 0.00 178.44 178.76 3gm1 h ALA 960 N 0.43 1.57 -0.42 1.53 0.00 -0.93 0.36 119.26 121.80 3gm1 h ALA 960 Ca 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gm1 h ALA 960 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3gm1 h ALA 960 CO -0.26 0.04 0.09 1.96 0.00 0.00 0.00 179.25 181.07 3gm1 h GLN 961 N 0.82 0.68 0.00 0.00 4.20 -0.34 -2.21 115.11 118.27 3gm1 h GLN 961 Ca 0.54 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3gm1 h GLN 961 Cb 0.73 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3gm1 h GLN 961 CO -0.34 0.70 -0.14 0.94 -0.67 0.00 0.00 178.83 179.33 3gm1 n GLN 962 N -4.52 0.22 -1.06 1.46 -0.06 -0.22 -3.42 117.38 109.78 3gm1 n GLN 962 Ca -0.00 0.15 -0.02 0.00 -2.00 0.00 0.00 57.00 55.12 3gm1 n GLN 962 Cb 0.22 -1.72 0.15 0.00 -4.06 0.00 0.00 30.24 24.83 3gm1 n GLN 962 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3gm1 n ASN 963 N -2.08 2.54 -4.77 1.69 4.13 0.11 -4.95 115.26 111.94 3gm1 n ASN 963 Ca 0.05 -3.76 -0.36 0.00 1.68 0.00 0.00 54.58 52.19 3gm1 n ASN 963 Cb 0.41 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 3gm1 n ASN 963 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gm1 s ALA 964 N -3.21 2.80 0.00 5.41 0.00 -0.84 -3.28 121.76 122.64 3gm1 s ALA 964 Ca 0.41 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3gm1 s ALA 964 Cb 0.38 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3gm1 s ALA 964 CO -0.04 -0.78 0.00 1.33 0.00 0.00 0.00 175.76 176.26 3gm1 n VAL 965 N -0.98 0.00 -3.31 0.00 0.24 -1.26 -4.97 118.33 108.05 3gm1 n VAL 965 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3gm1 n VAL 965 Cb 0.49 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 3gm1 n VAL 965 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gm1 n THR 966 N -2.05 0.00 0.06 3.34 -2.24 -1.25 -5.01 114.28 107.14 3gm1 n THR 966 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3gm1 n THR 966 Cb 0.06 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 3gm1 n THR 966 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3gm1 h SER 967 N 0.00 -0.38 -0.91 3.42 0.02 -1.94 -2.73 113.55 111.03 3gm1 h SER 967 Ca 0.00 0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.47 3gm1 h SER 967 Cb 0.00 0.16 -0.27 0.00 0.14 0.00 0.00 62.40 62.42 3gm1 h SER 967 CO 0.00 -0.19 0.68 0.00 -1.14 0.00 0.00 176.83 176.18 3gm1 n LEU 968 N -5.26 6.86 -0.08 5.07 -0.00 -1.26 -4.52 117.00 117.81 3gm1 n LEU 968 Ca -0.06 -3.71 -0.07 0.00 -0.00 0.00 0.00 56.01 52.18 3gm1 n LEU 968 Cb 0.18 -0.88 -0.00 0.00 -0.00 0.00 0.00 43.42 42.71 3gm1 n LEU 968 CO 0.27 1.18 0.78 -1.28 -0.00 0.00 0.00 177.39 178.34 3gm1 h SER 969 N 1.32 -0.39 0.48 1.45 0.87 -1.47 -1.07 113.55 114.74 3gm1 h SER 969 Ca 0.57 0.11 -0.30 0.00 -1.23 0.00 0.00 61.79 60.94 3gm1 h SER 969 Cb 1.94 0.23 0.02 0.00 -0.44 0.00 0.00 62.40 64.15 3gm1 h SER 969 CO 1.19 -0.14 -1.32 -0.33 -0.53 0.00 0.00 176.83 175.69 3gm1 h GLU 970 N -0.05 0.39 -0.09 2.24 3.07 -1.84 -3.24 114.58 115.04 3gm1 h GLU 970 Ca 0.15 -0.65 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 3gm1 h GLU 970 Cb 0.29 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3gm1 h GLU 970 CO -0.34 1.31 -0.10 1.49 -1.40 0.00 0.00 179.01 179.97 3gm1 h GLU 971 N 0.11 0.14 -0.02 2.33 4.57 -1.79 -1.64 114.58 118.28 3gm1 h GLU 971 Ca -0.18 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 3gm1 h GLU 971 Cb 2.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.59 3gm1 h GLU 971 CO 0.23 0.25 -0.82 0.00 -1.18 0.00 0.00 179.01 177.49 3gm1 h LYS 973 N 0.14 0.42 -0.36 0.00 1.57 -1.44 -2.22 116.57 114.69 3gm1 h LYS 973 Ca -0.04 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3gm1 h LYS 973 Cb 1.42 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 3gm1 h LYS 973 CO 0.13 0.80 0.13 0.00 -0.57 0.00 0.00 179.45 179.95 3gm1 h ARG 974 N 0.34 0.50 -0.05 3.15 3.08 -1.29 -1.79 114.38 118.32 3gm1 h ARG 974 Ca 0.02 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3gm1 h ARG 974 Cb 0.96 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3gm1 h ARG 974 CO 0.08 0.43 -0.73 1.96 -1.07 0.00 0.00 179.97 180.64 3gm1 h GLN 975 N 0.50 0.31 0.09 0.04 1.08 -1.28 -1.23 115.11 114.62 3gm1 h GLN 975 Ca 0.12 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3gm1 h GLN 975 Cb 0.12 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3gm1 h GLN 975 CO -0.01 0.91 -0.04 0.52 -0.95 0.00 0.00 178.83 179.26 3gm1 h MET 976 N 0.21 -0.11 -0.77 1.46 2.86 -1.10 -1.01 114.93 116.47 3gm1 h MET 976 Ca -0.03 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3gm1 h MET 976 Cb 1.30 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 3gm1 h MET 976 CO 0.12 0.06 0.46 -0.07 1.06 0.00 0.00 176.91 178.54 3gm1 h LEU 977 N -0.27 0.71 0.19 1.22 3.38 -1.27 -0.82 115.31 118.46 3gm1 h LEU 977 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gm1 h LEU 977 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gm1 h LEU 977 CO 0.02 0.46 -0.16 0.74 0.09 0.00 0.00 178.44 179.59 3gm1 h THR 978 N 0.85 0.65 -0.66 0.22 2.02 -1.16 -1.36 112.91 113.46 3gm1 h THR 978 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 3gm1 h THR 978 Cb 0.18 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3gm1 h THR 978 CO -0.18 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.06 3gm1 h ALA 979 N 0.40 0.84 -0.30 6.16 0.00 -0.50 0.11 119.26 125.98 3gm1 h ALA 979 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3gm1 h ALA 979 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gm1 h ALA 979 CO -0.02 0.37 -0.17 0.66 0.00 0.00 0.00 179.25 180.10 3gm1 h SER 980 N 0.90 0.66 -0.45 0.00 4.64 -1.20 -1.59 113.55 116.50 3gm1 h SER 980 Ca 0.23 -0.42 0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3gm1 h SER 980 Cb 0.06 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 3gm1 h SER 980 CO -0.03 0.93 0.19 -0.74 -0.87 0.00 0.00 176.83 176.31 3gm1 h HIS 981 N 0.38 0.35 0.00 4.77 6.17 -0.48 -0.51 115.15 125.83 3gm1 h HIS 981 Ca 0.06 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 3gm1 h HIS 981 Cb 0.70 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.53 3gm1 h HIS 981 CO 0.06 0.16 -0.26 1.79 0.71 0.00 0.00 177.93 180.39 3gm1 h THR 982 N 0.39 0.69 -0.46 6.26 1.35 -0.91 -1.61 112.91 118.62 3gm1 h THR 982 Ca 0.20 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 3gm1 h THR 982 Cb 0.15 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3gm1 h THR 982 CO -0.17 0.25 0.08 0.25 -0.25 0.00 0.00 175.52 175.68 3gm1 h LEU 983 N 0.00 0.72 -0.03 3.87 5.85 -0.20 -1.77 115.31 123.76 3gm1 h LEU 983 Ca -0.00 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3gm1 h LEU 983 Cb 0.72 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3gm1 h LEU 983 CO 0.03 0.80 0.01 0.00 -0.34 0.00 0.00 178.44 178.95 3gm1 h ALA 984 N 0.95 0.04 -0.96 1.25 0.00 -0.38 -1.33 119.26 118.83 3gm1 h ALA 984 Ca 0.14 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.10 3gm1 h ALA 984 Cb 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3gm1 h ALA 984 CO 0.01 -0.41 0.60 0.28 0.00 0.00 0.00 179.25 179.72 3gm1 h VAL 985 N -0.06 0.94 -0.38 0.00 2.07 -1.30 -1.50 116.25 116.02 3gm1 h VAL 985 Ca 0.01 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 3gm1 h VAL 985 Cb 0.10 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3gm1 h VAL 985 CO -0.00 0.18 -0.06 0.44 0.02 0.00 0.00 177.57 178.15 3gm1 h ASP 986 N 0.97 0.71 -0.76 0.57 5.19 -1.15 -2.01 116.42 119.95 3gm1 h ASP 986 Ca 0.47 -0.35 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 3gm1 h ASP 986 Cb 0.41 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 3gm1 h ASP 986 CO -0.25 0.89 0.50 0.00 -3.12 0.00 0.00 179.24 177.26 3gm1 h ALA 987 N 0.85 1.62 -0.10 3.45 0.00 -0.83 0.87 119.26 125.12 3gm1 h ALA 987 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gm1 h ALA 987 Cb 0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gm1 h ALA 987 CO 0.03 0.28 0.02 -0.22 0.00 0.00 0.00 179.25 179.36 3gm1 h LYS 988 N 0.85 0.15 0.00 0.00 3.11 -1.07 -1.50 116.57 118.12 3gm1 h LYS 988 Ca 0.32 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 3gm1 h LYS 988 Cb 0.17 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 3gm1 h LYS 988 CO -0.10 0.33 -0.02 -0.91 -2.81 0.00 0.00 179.45 175.94 3gm1 h ASN 989 N -0.05 0.00 -0.14 4.20 -0.26 -0.57 0.16 115.58 118.92 3gm1 h ASN 989 Ca 0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3gm1 h ASN 989 Cb 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3gm1 h ASN 989 CO 0.00 0.02 0.02 0.25 -1.06 0.00 0.00 177.43 176.66 3gm1 h LEU 990 N 0.00 0.23 -0.71 1.61 5.85 -0.46 -2.39 115.31 119.44 3gm1 h LEU 990 Ca -0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3gm1 h LEU 990 Cb 0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3gm1 h LEU 990 CO 0.00 0.44 0.46 0.25 -0.34 0.00 0.00 178.44 179.26 3gm1 h LEU 991 N 0.00 0.79 0.15 2.25 5.85 0.24 -1.29 115.31 123.31 3gm1 h LEU 991 Ca 0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gm1 h LEU 991 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3gm1 h LEU 991 CO 0.00 0.57 -0.16 0.44 -0.34 0.00 0.00 178.44 178.95 3gm1 h ASP 992 N 0.94 -0.44 -0.83 1.25 3.32 -0.87 0.10 116.42 119.89 3gm1 h ASP 992 Ca 0.26 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.41 3gm1 h ASP 992 Cb -0.09 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 3gm1 h ASP 992 CO -0.07 -0.25 0.52 0.00 -1.72 0.00 0.00 179.24 177.73 3gm1 h ALA 993 N 0.45 1.12 -0.79 3.45 0.00 -1.19 -1.49 119.26 120.81 3gm1 h ALA 993 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gm1 h ALA 993 Cb 0.34 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3gm1 h ALA 993 CO -0.05 0.30 0.49 0.28 0.00 0.00 0.00 179.25 180.27 3gm1 h VAL 994 N 0.98 1.22 0.80 0.00 2.07 -0.73 0.15 116.25 120.74 3gm1 h VAL 994 Ca 0.35 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3gm1 h VAL 994 Cb 0.10 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3gm1 h VAL 994 CO -0.15 0.22 -0.38 0.44 0.02 0.00 0.00 177.57 177.72 3gm1 h ASP 995 N 1.08 -0.91 -0.86 0.57 3.32 -0.07 -1.06 116.42 118.49 3gm1 h ASP 995 Ca 0.28 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.55 3gm1 h ASP 995 Cb -0.06 0.24 -0.11 0.00 0.22 0.00 0.00 39.33 39.61 3gm1 h ASP 995 CO -0.06 -0.65 0.38 -0.61 -1.72 0.00 0.00 179.24 176.59 3gm1 h GLN 996 N -1.08 0.44 -0.48 3.56 4.15 -1.08 -1.77 115.11 118.85 3gm1 h GLN 996 Ca -0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 3gm1 h GLN 996 Cb 0.83 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 3gm1 h GLN 996 CO 0.18 0.29 0.16 0.00 -1.93 0.00 0.00 178.83 177.53 3gm1 h ALA 997 N 1.65 0.63 -0.34 3.38 0.00 -0.43 0.13 119.26 124.27 3gm1 h ALA 997 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3gm1 h ALA 997 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gm1 h ALA 997 CO -0.47 0.28 0.22 0.87 0.00 0.00 0.00 179.25 180.15 3gm1 h LYS 998 N 0.65 0.45 0.36 0.00 1.57 -0.54 -1.13 116.57 117.92 3gm1 h LYS 998 Ca 0.16 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gm1 h LYS 998 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3gm1 h LYS 998 CO -0.01 0.30 -0.39 0.28 -0.57 0.00 0.00 179.45 179.06 3gm1 h VAL 999 N 0.46 0.00 0.00 0.50 2.07 -1.16 0.32 116.25 118.43 3gm1 h VAL 999 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3gm1 h VAL 999 Cb -0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3gm1 h VAL 999 CO -0.03 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.81 3gm1 h LEU 1000N -0.76 0.00 -3.54 2.57 3.38 -0.56 0.11 115.31 116.50 3gm1 h LEU 1000Ca -0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.58 3gm1 h LEU 1000Cb 0.67 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.20 3gm1 h LEU 1000CO -0.07 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.29 3gm1 n ALA 1001N -1.85 4.80 -3.48 1.53 0.00 -0.44 -4.96 120.51 116.09 3gm1 n ALA 1001Ca -0.02 -3.39 -0.24 0.00 0.00 0.00 0.00 53.44 49.79 3gm1 n ALA 1001Cb 0.36 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 3gm1 n ALA 1001CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gm1 n ASN 1002N -0.98 -3.18 -0.00 0.00 3.02 0.37 -4.77 115.26 109.72 3gm1 n ASN 1002Ca 0.40 -0.45 0.04 0.00 -0.03 0.00 0.00 54.58 54.54 3gm1 n ASN 1002Cb 0.95 -2.66 -0.06 0.00 -0.61 0.00 0.00 39.78 37.40 3gm1 n ASN 1002CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3gm1 n LEU 1003N -3.69 0.14 -4.87 3.41 7.94 0.11 -5.02 117.00 115.01 3gm1 n LEU 1003Ca 0.01 -0.17 -0.34 0.00 -1.11 0.00 0.00 56.01 54.40 3gm1 n LEU 1003Cb 0.52 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.42 3gm1 n LEU 1003CO 0.54 0.03 0.09 0.00 -1.11 0.00 0.00 177.39 176.94 3gm1 s ALA 1004N -2.34 3.72 0.05 1.96 0.00 -1.11 -4.93 121.76 119.11 3gm1 s ALA 1004Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3gm1 s ALA 1004Cb 0.06 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3gm1 s ALA 1004CO 0.36 0.58 -0.11 -1.01 0.00 0.00 0.00 175.76 175.59 3gm1 s HIS 1005N -1.52 0.91 0.64 0.00 3.76 -1.26 -4.93 115.29 112.89 3gm1 s HIS 1005Ca 0.37 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 3gm1 s HIS 1005Cb -0.13 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 33.01 3gm1 s HIS 1005CO 0.20 -0.02 1.05 -1.25 -0.85 0.00 0.00 174.74 173.87 3gm1 s PRO 1006N -1.44 3.22 0.32 8.40 0.04 -1.26 -0.99 135.00 143.29 3gm1 s PRO 1006Ca -0.05 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 3gm1 s PRO 1006Cb -0.09 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 3gm1 s PRO 1006CO 0.01 -0.88 0.81 -2.30 0.04 0.00 0.00 177.00 174.69 3gm1 n PRO 1007N -2.63 0.94 0.00 0.56 -0.02 -1.26 -3.90 135.00 128.69 3gm1 n PRO 1007Ca 0.08 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3gm1 n PRO 1007Cb 0.53 -1.65 0.45 0.00 -0.02 0.00 0.00 33.50 32.82 3gm1 n PRO 1007CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48