#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kka s VAL 904 N 0.00 4.76 -0.88 1.61 1.01 -1.26 -4.98 120.40 120.66 3kka s VAL 904 Ca 0.00 1.44 0.23 0.00 0.00 0.00 0.00 61.98 63.64 3kka s VAL 904 Cb 0.00 -4.02 0.21 0.00 0.00 0.00 0.00 36.38 32.57 3kka s VAL 904 CO 0.00 0.43 1.71 -0.81 0.00 0.00 0.00 175.10 176.43 3kka n PRO 905 N 2.49 0.07 -2.83 2.72 -0.04 -1.26 -4.78 135.00 131.37 3kka n PRO 905 Ca -0.06 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 3kka n PRO 905 Cb 0.50 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3kka n PRO 905 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kka s PHE 906 N -3.07 3.34 0.05 0.54 0.40 -1.26 -4.95 117.98 113.03 3kka s PHE 906 Ca 0.09 1.24 -0.23 0.00 -0.60 0.00 0.00 56.93 57.44 3kka s PHE 906 Cb 0.13 -3.10 -0.15 0.00 0.51 0.00 0.00 43.02 40.41 3kka s PHE 906 CO 0.42 -0.39 1.51 0.00 0.70 0.00 0.00 175.22 177.46 3kka h ARG 907 N 7.56 0.12 -5.76 0.44 3.08 -1.94 -3.47 114.38 114.40 3kka h ARG 907 Ca -0.23 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.24 3kka h ARG 907 Cb 1.09 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.99 3kka h ARG 907 CO 0.89 0.35 -0.70 0.95 -1.07 0.00 0.00 179.97 180.39 3kka s THR 908 N -5.16 1.98 0.28 2.04 -4.23 -1.26 -4.90 115.64 104.39 3kka s THR 908 Ca -0.14 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 58.16 3kka s THR 908 Cb 0.05 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.77 3kka s THR 908 CO 0.69 -0.34 1.66 0.58 -0.54 0.00 0.00 174.62 176.67 3kka h VAL 909 N 2.26 0.38 -0.56 2.29 2.07 -1.89 -1.65 116.25 119.14 3kka h VAL 909 Ca -0.40 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3kka h VAL 909 Cb 1.24 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3kka h VAL 909 CO 0.66 0.05 0.07 -1.28 0.02 0.00 0.00 177.57 177.08 3kka h SER 910 N 0.25 0.87 -0.23 0.57 0.87 -1.94 -1.28 113.55 112.66 3kka h SER 910 Ca 0.52 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 3kka h SER 910 Cb 1.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 3kka h SER 910 CO -0.61 0.89 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.06 3kka h GLU 911 N 0.86 0.67 -0.15 2.24 5.08 -1.75 -0.22 114.58 121.31 3kka h GLU 911 Ca 0.17 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3kka h GLU 911 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3kka h GLU 911 CO 0.01 0.82 0.00 2.35 -1.00 0.00 0.00 179.01 181.19 3kka h TRP 912 N 0.60 0.30 -0.69 4.33 7.01 -0.80 -2.36 115.95 124.32 3kka h TRP 912 Ca 0.09 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 3kka h TRP 912 Cb 0.66 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 3kka h TRP 912 CO 0.03 0.49 0.32 -0.07 -2.79 0.00 0.00 178.44 176.43 3kka h LEU 913 N 0.02 0.91 -1.16 0.65 3.38 -1.17 -1.51 115.31 116.43 3kka h LEU 913 Ca 0.04 -0.14 0.27 0.00 0.09 0.00 0.00 57.88 58.14 3kka h LEU 913 Cb 0.37 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 3kka h LEU 913 CO 0.01 0.80 0.63 -0.08 0.09 0.00 0.00 178.44 179.89 3kka h GLU 914 N 0.96 0.45 0.00 1.13 4.57 -0.95 -0.30 114.58 120.44 3kka h GLU 914 Ca 0.24 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3kka h GLU 914 Cb 0.13 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3kka h GLU 914 CO -0.03 0.30 -0.07 0.66 -1.18 0.00 0.00 179.01 178.68 3kka h SER 915 N 0.46 0.00 -0.18 1.04 4.64 -0.72 -2.60 113.55 116.19 3kka h SER 915 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3kka h SER 915 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3kka h SER 915 CO -0.42 0.07 0.00 2.30 -0.87 0.00 0.00 176.83 177.92 3kka n ILE 916 N -3.20 2.06 -3.68 0.95 -5.35 -0.40 -4.99 119.36 104.75 3kka n ILE 916 Ca 0.00 -1.93 -0.22 0.00 -0.27 0.00 0.00 62.75 60.33 3kka n ILE 916 Cb 0.35 -0.19 0.05 0.00 -1.74 0.00 0.00 39.64 38.11 3kka n ILE 916 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kka n LYS 917 N -0.75 -5.56 -0.15 6.28 4.76 -0.50 -4.89 118.16 117.36 3kka n LYS 917 Ca 0.19 0.67 0.02 0.00 -2.87 0.00 0.00 58.31 56.32 3kka n LYS 917 Cb 0.77 -5.41 0.03 0.00 -1.84 0.00 0.00 35.03 28.59 3kka n LYS 917 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kka n MET 918 N -4.37 1.02 0.24 1.97 2.81 -0.26 -4.85 117.12 113.68 3kka n MET 918 Ca -0.22 -1.36 0.14 0.00 -1.81 0.00 0.00 57.70 54.45 3kka n MET 918 Cb 0.64 -0.86 0.74 0.00 -0.71 0.00 0.00 33.22 33.04 3kka n MET 918 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3kka h GLN 919 N 0.00 0.00 0.00 0.03 -0.00 -1.86 0.17 115.11 113.45 3kka h GLN 919 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3kka h GLN 919 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 3kka h GLN 919 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.83 3kka n GLN 920 N -2.54 0.02 0.00 0.06 0.00 -1.26 -1.80 117.38 111.86 3kka n GLN 920 Ca -0.02 0.33 0.13 0.00 0.00 0.00 0.00 57.00 57.44 3kka n GLN 920 Cb 0.18 -1.54 0.39 0.00 0.00 0.00 0.00 30.24 29.27 3kka n GLN 920 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kka n TYR 921 N -1.57 0.00 -0.22 2.61 4.01 0.58 -4.58 117.16 117.98 3kka n TYR 921 Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.74 3kka n TYR 921 Cb 0.13 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.11 3kka n TYR 921 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3kka h THR 922 N 1.60 0.21 -0.78 -0.72 2.02 -1.52 -1.00 112.91 112.73 3kka h THR 922 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 3kka h THR 922 Cb 0.53 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 3kka h THR 922 CO 0.00 0.00 0.33 -0.33 0.37 0.00 0.00 175.52 175.89 3kka h GLU 923 N -0.10 0.47 -0.78 6.66 4.39 -1.83 -0.23 114.58 123.16 3kka h GLU 923 Ca 0.27 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 3kka h GLU 923 Cb 0.54 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3kka h GLU 923 CO -0.71 0.31 0.34 0.45 -1.16 0.00 0.00 179.01 178.25 3kka h HIS 924 N 0.49 1.15 0.13 4.33 3.86 -1.51 0.20 115.15 123.81 3kka h HIS 924 Ca 0.43 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3kka h HIS 924 Cb 0.63 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3kka h HIS 924 CO -0.15 0.86 -0.06 0.74 0.86 0.00 0.00 177.93 180.18 3kka h PHE 925 N 1.11 -0.16 -0.87 2.45 0.04 -1.06 -2.65 116.94 115.80 3kka h PHE 925 Ca 0.26 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.05 3kka h PHE 925 Cb 0.17 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 3kka h PHE 925 CO 0.02 0.18 0.57 0.52 -0.60 0.00 0.00 178.31 179.00 3kka h MET 926 N -0.54 1.11 0.00 1.51 2.86 -0.88 -0.44 114.93 118.56 3kka h MET 926 Ca -0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3kka h MET 926 Cb 0.42 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3kka h MET 926 CO 0.03 0.74 -0.04 0.00 1.06 0.00 0.00 176.91 178.70 3kka h ALA 927 N 1.33 0.99 -0.01 6.32 0.00 -0.65 -2.66 119.26 124.58 3kka h ALA 927 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kka h ALA 927 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kka h ALA 927 CO -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 3kka n ALA 928 N -2.11 2.66 -0.05 0.00 0.00 -0.96 -4.93 120.51 115.12 3kka n ALA 928 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3kka n ALA 928 Cb 0.44 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3kka n ALA 928 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kka n GLY 929 N 1.18 0.47 3.15 0.00 0.00 -1.00 -4.99 105.19 104.00 3kka n GLY 929 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3kka n GLY 929 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kka n TYR 930 N -2.00 3.02 0.08 1.61 4.01 -0.21 -4.67 117.16 118.99 3kka n TYR 930 Ca 0.00 -2.29 -0.10 0.00 -0.16 0.00 0.00 57.90 55.35 3kka n TYR 930 Cb 0.00 -2.29 -0.05 0.00 -0.31 0.00 0.00 39.34 36.69 3kka n TYR 930 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kka h THR 931 N 4.80 1.53 -3.16 -0.72 1.03 -1.87 -3.37 112.91 111.15 3kka h THR 931 Ca 0.44 -2.84 -0.39 0.00 -0.01 0.00 0.00 66.41 63.61 3kka h THR 931 Cb 0.74 2.62 -0.14 0.00 -1.07 0.00 0.00 68.15 70.30 3kka h THR 931 CO 1.73 0.82 -0.70 0.00 -0.01 0.00 0.00 175.52 177.37 3kka s ALA 932 N -3.02 1.78 0.21 0.00 0.00 -1.26 -4.54 121.76 114.92 3kka s ALA 932 Ca -0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 3kka s ALA 932 Cb 0.09 0.15 0.15 0.00 0.00 0.00 0.00 23.12 23.51 3kka s ALA 932 CO 0.84 -0.10 1.77 0.82 0.00 0.00 0.00 175.76 179.09 3kka h ILE 933 N 2.59 1.26 -0.36 0.00 5.03 -1.90 -1.40 117.51 122.73 3kka h ILE 933 Ca -0.38 -0.80 0.10 0.00 -0.12 0.00 0.00 64.86 63.66 3kka h ILE 933 Cb 1.21 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 3kka h ILE 933 CO 0.64 0.33 0.28 -0.33 -0.68 0.00 0.00 178.15 178.39 3kka h GLU 934 N 1.12 0.00 0.05 2.37 5.08 -2.00 -0.97 114.58 120.23 3kka h GLU 934 Ca 0.26 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 3kka h GLU 934 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.47 3kka h GLU 934 CO -0.02 0.00 -0.64 0.87 -1.00 0.00 0.00 179.01 178.22 3kka h LYS 935 N 0.00 0.34 -0.95 2.33 1.79 -1.82 -3.36 116.57 114.89 3kka h LYS 935 Ca 0.17 -0.44 0.07 0.00 -2.18 0.00 0.00 60.65 58.27 3kka h LYS 935 Cb 0.73 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.46 3kka h LYS 935 CO -0.00 1.14 0.62 0.28 -1.08 0.00 0.00 179.45 180.41 3kka h VAL 936 N -0.26 1.07 0.00 0.50 2.07 -0.13 -3.23 116.25 116.28 3kka h VAL 936 Ca -0.10 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kka h VAL 936 Cb 1.41 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kka h VAL 936 CO 0.12 0.20 0.00 -0.37 0.02 0.00 0.00 177.57 177.54 3kka h VAL 937 N 1.10 0.00 -0.81 2.57 -1.51 -1.51 -2.27 116.25 113.80 3kka h VAL 937 Ca 0.41 -0.25 -0.54 0.00 -1.23 0.00 0.00 66.70 65.10 3kka h VAL 937 Cb 0.20 1.01 -0.30 0.00 -2.13 0.00 0.00 31.29 30.07 3kka h VAL 937 CO -0.16 0.00 0.20 0.00 -1.23 0.00 0.00 177.57 176.38 3kka n GLN 938 N -2.42 2.74 -3.21 5.19 0.00 -1.22 -4.79 117.38 113.67 3kka n GLN 938 Ca 0.01 -3.49 -0.33 0.00 0.00 0.00 0.00 57.00 53.20 3kka n GLN 938 Cb 0.22 -2.19 -0.06 0.00 0.00 0.00 0.00 30.24 28.21 3kka n GLN 938 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3kka s MET 939 N -3.60 3.97 0.69 2.61 -1.94 -0.86 -5.12 119.30 115.05 3kka s MET 939 Ca 0.56 0.58 0.02 0.00 -1.71 0.00 0.00 55.69 55.14 3kka s MET 939 Cb 0.46 -2.52 0.12 0.00 2.01 0.00 0.00 34.83 34.90 3kka s MET 939 CO 0.02 0.22 0.95 0.95 -0.01 0.00 0.00 175.02 177.15 3kka s THR 940 N -1.90 2.13 0.25 2.05 -4.23 -1.26 -4.97 115.64 107.71 3kka s THR 940 Ca 0.51 -0.69 0.25 0.00 -1.18 0.00 0.00 61.69 60.59 3kka s THR 940 Cb -0.11 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.54 3kka s THR 940 CO 0.19 0.00 1.92 0.78 -0.54 0.00 0.00 174.62 176.97 3kka h ASN 941 N -0.38 0.00 0.15 3.99 4.21 -1.99 -2.74 115.58 118.81 3kka h ASN 941 Ca -0.35 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.06 3kka h ASN 941 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 3kka h ASN 941 CO 0.40 0.19 -0.37 0.44 -1.29 0.00 0.00 177.43 176.80 3kka h ASP 942 N 0.00 0.32 1.22 5.81 3.32 -2.00 -2.74 116.42 122.35 3kka h ASP 942 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kka h ASP 942 Cb 0.59 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kka h ASP 942 CO 0.02 0.67 0.00 0.44 -1.72 0.00 0.00 179.24 178.65 3kka h ASP 943 N 0.27 0.00 0.26 6.45 3.32 -1.86 -0.32 116.42 124.53 3kka h ASP 943 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3kka h ASP 943 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3kka h ASP 943 CO 0.06 0.00 -0.13 0.40 -1.72 0.00 0.00 179.24 177.86 3kka h ILE 944 N 0.00 0.76 0.07 0.35 1.08 -1.46 -3.04 117.51 115.27 3kka h ILE 944 Ca 0.00 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3kka h ILE 944 Cb 0.61 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 3kka h ILE 944 CO 0.00 0.14 -0.34 0.11 -0.69 0.00 0.00 178.15 177.37 3kka h LYS 945 N -0.75 -0.46 -0.96 2.37 6.56 -1.44 -2.95 116.57 118.94 3kka h LYS 945 Ca -0.04 0.03 0.29 0.00 -1.06 0.00 0.00 60.65 59.88 3kka h LYS 945 Cb 0.50 0.10 -0.15 0.00 -0.57 0.00 0.00 32.23 32.11 3kka h LYS 945 CO 0.06 -0.31 0.41 0.00 -2.06 0.00 0.00 179.45 177.56 3kka h ARG 946 N -0.48 0.23 0.00 3.15 3.08 -1.18 -0.50 114.38 118.69 3kka h ARG 946 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kka h ARG 946 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kka h ARG 946 CO -0.19 0.15 0.00 1.51 -1.07 0.00 0.00 179.97 180.38 3kka n ILE 947 N -5.16 0.77 0.00 2.04 3.06 -1.12 -4.87 119.36 114.08 3kka n ILE 947 Ca 0.28 0.17 0.00 0.00 -2.50 0.00 0.00 62.75 60.70 3kka n ILE 947 Cb 0.89 -0.93 0.00 0.00 0.54 0.00 0.00 39.64 40.13 3kka n ILE 947 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kka n GLY 948 N 0.32 0.92 3.58 4.50 0.00 -0.19 -4.83 105.19 109.49 3kka n GLY 948 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3kka n GLY 948 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kka s VAL 949 N -2.00 3.96 -0.18 1.61 1.01 -1.16 -4.84 120.40 118.81 3kka s VAL 949 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.84 3kka s VAL 949 Cb 0.00 -4.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 3kka s VAL 949 CO 0.00 -1.36 0.22 -2.11 0.00 0.00 0.00 175.10 171.84 3kka n ARG 950 N 8.55 4.70 -2.43 2.72 1.85 -1.26 -4.02 116.66 126.77 3kka n ARG 950 Ca 0.09 -0.14 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 3kka n ARG 950 Cb 0.49 -0.72 -0.02 0.00 -1.05 0.00 0.00 32.46 31.16 3kka n ARG 950 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3kka s LEU 951 N -1.73 4.20 0.39 2.89 1.43 -1.26 -4.93 118.68 119.67 3kka s LEU 951 Ca 0.02 1.72 0.09 0.00 -1.03 0.00 0.00 54.13 54.92 3kka s LEU 951 Cb 0.02 -3.54 0.84 0.00 0.03 0.00 0.00 46.19 43.54 3kka s LEU 951 CO 0.10 -0.72 1.97 1.55 0.23 0.00 0.00 176.35 179.47 3kka h PRO 952 N 8.03 0.61 0.00 1.29 0.13 -1.99 0.36 132.00 140.42 3kka h PRO 952 Ca -0.28 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 3kka h PRO 952 Cb 1.12 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3kka h PRO 952 CO 0.95 0.40 -0.62 0.78 -0.23 0.00 0.00 178.00 179.28 3kka h GLY 953 N 0.63 0.00 1.01 1.56 0.00 -1.99 -2.20 103.07 102.08 3kka h GLY 953 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 3kka h GLY 953 CO -0.10 0.00 -0.86 0.45 0.00 0.00 0.00 176.54 176.03 3kka h HIS 954 N 0.00 0.85 -0.44 5.60 3.86 -1.40 -2.09 115.15 121.53 3kka h HIS 954 Ca -0.01 -0.47 0.08 0.00 -1.16 0.00 0.00 60.37 58.82 3kka h HIS 954 Cb 1.14 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 29.42 3kka h HIS 954 CO 0.00 1.30 -0.35 1.96 0.86 0.00 0.00 177.93 181.70 3kka h GLN 955 N 0.16 -0.24 -0.03 2.45 4.20 -1.10 -1.05 115.11 119.50 3kka h GLN 955 Ca -0.11 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kka h GLN 955 Cb 1.55 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.38 3kka h GLN 955 CO 0.17 -0.16 0.02 -0.22 -0.67 0.00 0.00 178.83 177.97 3kka h LYS 956 N -0.25 0.04 -0.74 1.46 1.63 -1.44 -0.91 116.57 116.37 3kka h LYS 956 Ca 0.18 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 3kka h LYS 956 Cb 0.55 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 3kka h LYS 956 CO -0.58 0.05 0.45 -0.09 -3.45 0.00 0.00 179.45 175.84 3kka h ARG 957 N 0.02 0.84 -0.10 1.90 2.43 -1.12 -1.34 114.38 117.02 3kka h ARG 957 Ca 0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3kka h ARG 957 Cb 0.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3kka h ARG 957 CO -0.00 0.56 -0.08 0.82 -1.51 0.00 0.00 179.97 179.75 3kka h ILE 958 N 0.87 1.35 -0.63 1.20 2.04 -1.12 -2.56 117.51 118.66 3kka h ILE 958 Ca 0.31 -1.20 0.08 0.00 1.00 0.00 0.00 64.86 65.05 3kka h ILE 958 Cb 0.08 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3kka h ILE 958 CO -0.14 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.64 3kka h ALA 959 N 0.59 0.83 -0.49 1.87 0.00 -0.93 -0.07 119.26 121.06 3kka h ALA 959 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kka h ALA 959 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kka h ALA 959 CO 0.02 -0.11 -0.18 1.88 0.00 0.00 0.00 179.25 180.87 3kka h TYR 960 N 0.51 1.12 -0.28 0.00 0.99 -1.29 -2.94 116.97 115.08 3kka h TYR 960 Ca 0.30 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 3kka h TYR 960 Cb 0.31 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.76 3kka h TYR 960 CO -0.13 1.08 0.16 1.03 -0.00 0.00 0.00 178.16 180.29 3kka h SER 961 N 0.84 0.35 -0.91 3.88 0.87 -1.01 -2.94 113.55 114.63 3kka h SER 961 Ca 0.12 -0.08 0.24 0.00 -1.23 0.00 0.00 61.79 60.84 3kka h SER 961 Cb 0.75 -0.09 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 3kka h SER 961 CO 0.06 0.33 0.38 -0.07 -0.53 0.00 0.00 176.83 177.00 3kka h LEU 962 N 0.34 0.27 0.28 2.23 3.38 -0.90 -0.46 115.31 120.44 3kka h LEU 962 Ca 0.10 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kka h LEU 962 Cb 0.06 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3kka h LEU 962 CO -0.02 -0.07 -0.47 -0.07 0.09 0.00 0.00 178.44 177.91 3kka h LEU 963 N 0.34 -1.36 -0.99 1.67 3.38 -1.35 0.19 115.31 117.19 3kka h LEU 963 Ca 0.59 0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.94 3kka h LEU 963 Cb 1.17 0.48 -0.13 0.00 0.09 0.00 0.00 40.66 42.27 3kka h LEU 963 CO -0.58 -0.56 0.56 1.23 0.09 0.00 0.00 178.44 179.18 3kka h GLY 964 N -0.80 1.89 1.30 0.83 0.00 -1.31 -2.92 103.07 102.05 3kka h GLY 964 Ca -0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 46.79 3kka h GLY 964 CO -0.16 -0.30 -0.90 -2.00 0.00 0.00 0.00 176.54 173.17 3kka h LEU 965 N 0.50 0.82 -1.20 3.11 6.46 -0.09 -3.11 115.31 121.80 3kka h LEU 965 Ca 0.65 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3kka h LEU 965 Cb 1.30 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 3kka h LEU 965 CO -0.51 1.40 0.37 0.11 -0.62 0.00 0.00 178.44 179.18 3kka h LYS 966 N 0.41 0.92 0.00 1.25 1.79 -0.48 0.18 116.57 120.65 3kka h LYS 966 Ca -0.08 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3kka h LYS 966 Cb 1.53 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 3kka h LYS 966 CO 0.17 0.68 -0.00 -0.44 -1.08 0.00 0.00 179.45 178.78 3kka h ASP 967 N 0.93 0.00 0.00 0.86 3.32 -1.52 -3.52 116.42 116.49 3kka h ASP 967 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3kka h ASP 967 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kka h ASP 967 CO -0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.48