#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfk s HIS 2 N 0.00 -0.31 0.00 6.00 3.76 -1.26 -5.09 115.29 118.40 2kfk s HIS 2 Ca 0.00 0.75 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 2kfk s HIS 2 Cb 0.00 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.79 2kfk s HIS 2 CO 0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 174.74 173.73 2kfk n MET 3 N 3.05 0.00 -2.46 1.40 0.00 -1.26 -5.16 117.12 112.69 2kfk n MET 3 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.21 2kfk n MET 3 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.77 2kfk n MET 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2kfk s LYS 4 N 0.00 3.80 0.35 3.17 0.00 -1.26 -5.05 119.74 120.76 2kfk s LYS 4 Ca 0.00 1.49 -0.08 0.00 0.00 0.00 0.00 55.97 57.38 2kfk s LYS 4 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 37.83 35.65 2kfk s LYS 4 CO 0.00 -0.45 0.61 0.25 0.00 0.00 0.00 175.35 175.76 2kfk n THR 5 N -0.77 0.00 -4.06 3.79 -2.24 -1.26 -4.51 114.28 105.24 2kfk n THR 5 Ca 0.08 -1.32 -0.25 0.00 -2.27 0.00 0.00 64.05 60.29 2kfk n THR 5 Cb 0.51 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2kfk n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2kfk s THR 6 N -2.48 4.67 -0.63 4.28 2.01 0.19 -4.83 115.64 118.85 2kfk s THR 6 Ca 0.21 -1.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2kfk s THR 6 Cb -0.03 -3.42 0.16 0.00 0.01 0.00 0.00 72.50 69.23 2kfk s THR 6 CO 0.16 -0.16 0.48 -0.75 -0.69 0.00 0.00 174.62 173.66 2kfk s LYS 7 N -3.29 2.73 -0.08 4.92 2.36 -1.26 -2.37 119.74 122.74 2kfk s LYS 7 Ca 0.32 -2.36 0.02 0.00 -2.55 0.00 0.00 55.97 51.40 2kfk s LYS 7 Cb -0.10 -3.89 -0.02 0.00 -1.05 0.00 0.00 37.83 32.77 2kfk s LYS 7 CO 0.25 -1.19 -0.12 0.42 1.55 0.00 0.00 175.35 176.25 2kfk s ILE 8 N 0.27 3.19 0.51 5.43 -1.09 -0.90 -4.95 121.20 123.66 2kfk s ILE 8 Ca 0.15 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 57.99 2kfk s ILE 8 Cb -0.19 -2.29 0.05 0.00 -1.58 0.00 0.00 42.46 38.44 2kfk s ILE 8 CO -0.04 0.57 0.71 -1.59 -1.23 0.00 0.00 174.94 173.35 2kfk s LYS 9 N -0.33 2.52 0.10 2.79 -2.85 -1.26 -0.39 119.74 120.32 2kfk s LYS 9 Ca 0.03 -1.29 -0.15 0.00 -1.00 0.00 0.00 55.97 53.56 2kfk s LYS 9 Cb -0.13 -2.65 0.03 0.00 -2.06 0.00 0.00 37.83 33.02 2kfk s LYS 9 CO 0.02 -0.62 0.37 -0.06 0.10 0.00 0.00 175.35 175.16 2kfk s PHE 10 N -2.58 -0.16 -0.11 1.78 0.40 0.14 -2.20 117.98 115.24 2kfk s PHE 10 Ca 0.58 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 2kfk s PHE 10 Cb -0.08 0.20 0.02 0.00 0.51 0.00 0.00 43.02 43.66 2kfk s PHE 10 CO 0.37 -0.64 -0.13 0.71 0.70 0.00 0.00 175.22 176.23 2kfk s TYR 11 N -3.44 1.82 -0.26 0.36 1.51 0.17 0.29 117.35 117.80 2kfk s TYR 11 Ca 0.01 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 2kfk s TYR 11 Cb 0.01 -1.36 0.05 0.00 -0.11 0.00 0.00 41.96 40.55 2kfk s TYR 11 CO -0.09 -0.49 -0.08 -0.47 -1.11 0.00 0.00 175.55 173.31 2kfk s TYR 12 N 1.21 3.20 0.00 2.71 5.04 0.56 0.28 117.35 130.34 2kfk s TYR 12 Ca -0.03 -2.00 0.00 0.00 -2.44 0.00 0.00 57.07 52.60 2kfk s TYR 12 Cb -0.14 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.16 2kfk s TYR 12 CO -0.04 -0.83 0.00 1.63 -1.34 0.00 0.00 175.55 174.97 2kfk n LYS 13 N 4.54 0.00 -0.45 4.97 5.02 -1.23 0.38 118.16 131.40 2kfk n LYS 13 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2kfk n LYS 13 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2kfk n LYS 13 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kfk n ASP 14 N 0.58 0.00 -4.25 4.39 2.03 -1.26 -5.09 116.55 112.94 2kfk n ASP 14 Ca 0.00 -1.82 -0.23 0.00 0.52 0.00 0.00 54.79 53.27 2kfk n ASP 14 Cb 0.00 -0.16 -0.13 0.00 -0.72 0.00 0.00 41.12 40.11 2kfk n ASP 14 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kfk s ASP 15 N -0.82 2.32 -0.15 1.67 1.11 0.16 -5.14 116.67 115.82 2kfk s ASP 15 Ca 0.00 -0.65 0.01 0.00 0.18 0.00 0.00 52.55 52.09 2kfk s ASP 15 Cb 0.00 -0.12 0.01 0.00 1.07 0.00 0.00 42.92 43.87 2kfk s ASP 15 CO 0.00 0.04 -0.19 -0.63 1.18 0.00 0.00 175.17 175.57 2kfk s ILE 16 N -1.15 2.33 0.38 0.77 1.01 -1.26 0.21 121.20 123.49 2kfk s ILE 16 Ca 0.05 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.89 2kfk s ILE 16 Cb -0.10 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2kfk s ILE 16 CO 0.04 0.53 0.26 -0.36 0.00 0.00 0.00 174.94 175.40 2kfk s PHE 17 N 0.89 2.72 -0.02 3.97 0.08 0.14 -4.89 117.98 120.88 2kfk s PHE 17 Ca -0.05 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2kfk s PHE 17 Cb -0.15 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2kfk s PHE 17 CO -0.03 0.12 -0.03 0.00 -0.10 0.00 0.00 175.22 175.19 2kfk s ALA 18 N -2.46 0.42 0.39 5.36 0.00 -1.26 0.24 121.76 124.46 2kfk s ALA 18 Ca 0.42 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.38 2kfk s ALA 18 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2kfk s ALA 18 CO 0.25 0.02 0.16 -0.51 0.00 0.00 0.00 175.76 175.68 2kfk s LEU 19 N 0.46 1.94 -0.20 0.00 1.43 0.48 -4.99 118.68 117.79 2kfk s LEU 19 Ca -0.05 -1.69 -0.01 0.00 -1.03 0.00 0.00 54.13 51.35 2kfk s LEU 19 Cb -0.08 0.02 0.05 0.00 0.03 0.00 0.00 46.19 46.21 2kfk s LEU 19 CO -0.01 -0.96 -0.02 0.00 0.23 0.00 0.00 176.35 175.60 2kfk s MET 20 N -3.67 1.17 -0.16 1.70 0.23 -1.23 -2.13 119.30 115.21 2kfk s MET 20 Ca 0.27 -0.63 -0.00 0.00 -1.03 0.00 0.00 55.69 54.30 2kfk s MET 20 Cb 0.02 -2.22 -0.00 0.00 -1.53 0.00 0.00 34.83 31.10 2kfk s MET 20 CO 0.17 -0.57 -0.14 -0.51 -2.03 0.00 0.00 175.02 171.94 2kfk s LEU 21 N 1.65 2.55 1.29 0.18 2.01 -1.00 -4.70 118.68 120.66 2kfk s LEU 21 Ca -0.02 -0.44 -0.17 0.00 0.01 0.00 0.00 54.13 53.50 2kfk s LEU 21 Cb -0.17 -1.59 0.33 0.00 0.01 0.00 0.00 46.19 44.77 2kfk s LEU 21 CO -0.07 0.09 0.98 -0.54 1.01 0.00 0.00 176.35 177.81 2kfk s LYS 22 N 0.82 -1.94 0.00 1.70 1.02 -1.26 -0.64 119.74 119.44 2kfk s LYS 22 Ca -0.05 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.43 2kfk s LYS 22 Cb -0.15 -1.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2kfk s LYS 22 CO 0.00 -4.31 0.48 0.41 -0.92 0.00 0.00 175.35 171.01 2kfk n GLY 23 N 1.08 0.31 0.16 -3.33 0.00 -1.26 -2.62 105.19 99.53 2kfk n GLY 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kfk n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kfk n ASP 24 N -0.12 0.00 -4.74 1.61 2.03 -1.26 -5.08 116.55 109.00 2kfk n ASP 24 Ca 0.00 -1.29 -0.42 0.00 0.52 0.00 0.00 54.79 53.60 2kfk n ASP 24 Cb 0.10 -0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 2kfk n ASP 24 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kfk n THR 25 N 0.00 1.54 -2.88 5.18 -1.04 -1.08 -5.02 114.28 110.99 2kfk n THR 25 Ca 0.00 -0.38 -0.19 0.00 -2.04 0.00 0.00 64.05 61.44 2kfk n THR 25 Cb 0.56 -1.83 0.03 0.00 -1.82 0.00 0.00 70.33 67.27 2kfk n THR 25 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kfk s THR 26 N -0.60 2.74 0.05 12.58 2.01 -1.26 -3.97 115.64 127.18 2kfk s THR 26 Ca 0.59 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2kfk s THR 26 Cb -0.52 -2.86 -0.16 0.00 0.01 0.00 0.00 72.50 68.96 2kfk s THR 26 CO 0.57 0.00 1.45 0.22 -0.69 0.00 0.00 174.62 176.16 2kfk h TYR 27 N 0.34 -1.01 -0.99 4.92 3.20 -1.82 -0.19 116.97 121.41 2kfk h TYR 27 Ca -0.39 -0.02 0.40 0.00 3.14 0.00 0.00 58.73 61.86 2kfk h TYR 27 Cb 1.29 0.34 -0.18 0.00 1.54 0.00 0.00 36.73 39.72 2kfk h TYR 27 CO 0.36 -0.61 0.47 1.63 -1.64 0.00 0.00 178.16 178.37 2kfk n LYS 28 N -4.88 -0.06 0.27 1.82 5.02 -1.26 0.17 118.16 119.24 2kfk n LYS 28 Ca -0.13 1.39 -0.16 0.00 -2.02 0.00 0.00 58.31 57.39 2kfk n LYS 28 Cb 0.42 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 32.89 2kfk n LYS 28 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kfk h GLU 29 N 0.00 -0.65 -0.47 1.97 4.81 -1.82 0.24 114.58 118.67 2kfk h GLU 29 Ca 0.81 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 60.18 2kfk h GLU 29 Cb 2.11 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 31.56 2kfk h GLU 29 CO -0.79 -0.38 0.03 1.25 -0.73 0.00 0.00 179.01 178.40 2kfk h LEU 30 N -0.80 -0.13 -0.10 1.64 7.12 0.36 -1.40 115.31 122.01 2kfk h LEU 30 Ca -0.07 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kfk h LEU 30 Cb 0.57 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 2kfk h LEU 30 CO 0.11 -0.03 0.06 0.03 -0.13 0.00 0.00 178.44 178.49 2kfk h ARG 31 N 0.15 0.14 -0.08 1.25 3.08 0.56 -1.89 114.38 117.60 2kfk h ARG 31 Ca 0.24 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.30 2kfk h ARG 31 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2kfk h ARG 31 CO -0.36 0.13 0.14 1.03 -1.07 0.00 0.00 179.97 179.83 2kfk h SER 32 N 0.11 0.00 -0.05 7.04 0.87 0.13 -1.25 113.55 120.40 2kfk h SER 32 Ca 0.04 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2kfk h SER 32 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2kfk h SER 32 CO -0.01 0.00 -0.25 0.11 -0.53 0.00 0.00 176.83 176.15 2kfk h LYS 33 N 0.00 0.26 -0.06 2.24 1.57 -0.47 -3.33 116.57 116.79 2kfk h LYS 33 Ca 0.04 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.43 2kfk h LYS 33 Cb 0.31 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2kfk h LYS 33 CO -0.00 0.86 -0.72 0.82 -0.57 0.00 0.00 179.45 179.84 2kfk h ILE 34 N -0.27 1.40 0.01 1.86 2.04 -0.95 -3.34 117.51 118.27 2kfk h ILE 34 Ca -0.02 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 63.69 2kfk h ILE 34 Cb 0.90 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 39.08 2kfk h ILE 34 CO 0.05 0.65 -0.46 0.00 0.00 0.00 0.00 178.15 178.39 2kfk h ALA 35 N 1.02 -0.77 0.00 1.87 0.00 -1.37 0.11 119.26 120.12 2kfk h ALA 35 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kfk h ALA 35 Cb 1.28 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2kfk h ALA 35 CO 0.12 -1.01 0.13 -1.00 0.00 0.00 0.00 179.25 177.48 2kfk h PRO 36 N -0.62 0.00 0.08 0.00 0.13 -1.68 -1.01 132.00 128.91 2kfk h PRO 36 Ca 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 2kfk h PRO 36 Cb 0.69 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.82 2kfk h PRO 36 CO -0.33 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 176.74 2kfk h ARG 37 N 0.00 0.17 0.00 0.86 2.47 -1.01 -3.47 114.38 113.40 2kfk h ARG 37 Ca 0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2kfk h ARG 37 Cb 0.26 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2kfk h ARG 37 CO 0.00 1.14 0.00 -0.89 0.56 0.00 0.00 179.97 180.78 2kfk n ILE 38 N -4.27 0.00 -1.12 2.04 5.41 0.16 -4.98 119.36 116.60 2kfk n ILE 38 Ca -0.16 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.68 2kfk n ILE 38 Cb 0.72 -1.14 0.17 0.00 -0.71 0.00 0.00 39.64 38.68 2kfk n ILE 38 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2kfk n ASP 39 N -2.56 2.61 -3.89 4.38 9.92 -1.26 -4.97 116.55 120.78 2kfk n ASP 39 Ca 0.00 -3.18 -0.09 0.00 -0.53 0.00 0.00 54.79 50.99 2kfk n ASP 39 Cb 0.00 -0.47 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 2kfk n ASP 39 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kfk s THR 40 N -2.92 0.15 -1.52 -3.53 -1.32 -1.26 -5.02 115.64 100.22 2kfk s THR 40 Ca 0.35 -1.24 0.14 0.00 -1.21 0.00 0.00 61.69 59.73 2kfk s THR 40 Cb 0.31 -1.32 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 2kfk s THR 40 CO 0.03 -0.68 1.09 -0.90 -2.21 0.00 0.00 174.62 171.94 2kfk n ASP 41 N 0.05 2.55 -3.86 8.08 5.75 -1.26 -4.68 116.55 123.18 2kfk n ASP 41 Ca -0.15 -1.74 -0.29 0.00 -0.01 0.00 0.00 54.79 52.59 2kfk n ASP 41 Cb 0.62 -0.11 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 2kfk n ASP 41 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kfk s ASN 42 N -1.10 4.20 -0.01 -1.12 4.22 -1.26 -5.06 114.94 114.81 2kfk s ASN 42 Ca 0.21 -3.22 -0.05 0.00 -2.14 0.00 0.00 52.86 47.66 2kfk s ASN 42 Cb 0.13 -1.46 0.00 0.00 1.28 0.00 0.00 41.25 41.20 2kfk s ASN 42 CO 0.18 -0.19 0.11 0.72 -2.04 0.00 0.00 177.10 175.88 2kfk s PHE 43 N -0.53 0.04 0.29 1.54 -0.71 -1.26 -2.43 117.98 114.91 2kfk s PHE 43 Ca 0.21 -0.09 0.09 0.00 -1.04 0.00 0.00 56.93 56.10 2kfk s PHE 43 Cb -0.17 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2kfk s PHE 43 CO -0.06 -0.22 0.06 -1.59 -1.34 0.00 0.00 175.22 172.07 2kfk s LYS 44 N -1.05 2.37 0.06 1.99 0.00 0.14 -4.90 119.74 118.34 2kfk s LYS 44 Ca -0.11 -1.44 0.07 0.00 0.00 0.00 0.00 55.97 54.49 2kfk s LYS 44 Cb -0.06 -2.19 -0.03 0.00 0.00 0.00 0.00 37.83 35.55 2kfk s LYS 44 CO 0.01 0.28 -0.20 -0.51 0.00 0.00 0.00 175.35 174.94 2kfk s LEU 45 N -3.74 2.20 -0.11 2.77 2.01 -1.26 -0.93 118.68 119.61 2kfk s LEU 45 Ca 0.34 -0.55 -0.14 0.00 0.01 0.00 0.00 54.13 53.79 2kfk s LEU 45 Cb -0.05 -0.88 0.03 0.00 0.01 0.00 0.00 46.19 45.30 2kfk s LEU 45 CO 0.21 0.11 0.36 0.00 1.01 0.00 0.00 176.35 178.05 2kfk s GLN 46 N -1.33 0.49 -0.37 1.70 -2.07 -0.48 0.66 119.66 118.26 2kfk s GLN 46 Ca 0.06 0.37 -0.28 0.00 -1.82 0.00 0.00 55.36 53.69 2kfk s GLN 46 Cb -0.09 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 2kfk s GLN 46 CO 0.02 -0.08 1.77 0.95 -1.32 0.00 0.00 175.29 176.63 2kfk s THR 47 N -0.13 3.50 -0.02 3.63 -4.23 0.82 0.22 115.64 119.43 2kfk s THR 47 Ca -0.03 0.49 -0.30 0.00 -1.18 0.00 0.00 61.69 60.67 2kfk s THR 47 Cb -0.03 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 2kfk s THR 47 CO 0.01 -0.50 1.03 -0.75 -0.54 0.00 0.00 174.62 173.87 2kfk s LYS 48 N 5.77 4.49 0.33 3.99 2.36 0.46 -3.48 119.74 133.67 2kfk s LYS 48 Ca 0.77 1.47 0.05 0.00 -2.55 0.00 0.00 55.97 55.71 2kfk s LYS 48 Cb -0.20 -3.48 -0.02 0.00 -1.05 0.00 0.00 37.83 33.08 2kfk s LYS 48 CO 0.32 -0.17 0.17 1.47 1.55 0.00 0.00 175.35 178.69 2kfk n LEU 49 N 4.29 0.00 -0.18 5.43 -0.00 -1.22 -4.26 117.00 121.07 2kfk n LEU 49 Ca 0.07 -2.73 0.18 0.00 -0.00 0.00 0.00 56.01 53.53 2kfk n LEU 49 Cb 0.49 1.11 0.33 0.00 -0.00 0.00 0.00 43.42 45.35 2kfk n LEU 49 CO 0.53 -0.43 0.59 2.22 -0.00 0.00 0.00 177.39 180.29 2kfk n PHE 50 N -0.71 0.65 0.08 1.47 1.16 -1.26 0.23 117.46 119.08 2kfk n PHE 50 Ca -0.01 0.66 -0.22 0.00 -1.87 0.00 0.00 57.45 56.02 2kfk n PHE 50 Cb 0.53 -1.10 -0.15 0.00 -1.61 0.00 0.00 39.48 37.15 2kfk n PHE 50 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 2kfk h ASP 51 N 0.00 0.61 0.00 5.98 1.82 -1.99 -3.48 116.42 119.37 2kfk h ASP 51 Ca 0.47 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2kfk h ASP 51 Cb 1.25 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2kfk h ASP 51 CO -0.44 1.55 0.00 0.61 -1.61 0.00 0.00 179.24 179.35 2kfk n GLY 52 N 1.70 1.77 0.00 -0.78 0.00 0.61 -5.06 105.19 103.43 2kfk n GLY 52 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kfk n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfk n SER 53 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.41 113.62 117.20 2kfk n SER 53 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kfk n SER 53 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kfk n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfk n GLY 54 N 5.00 0.30 3.82 0.23 0.00 -1.23 -3.37 105.19 109.95 2kfk n GLY 54 Ca 0.00 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 2kfk n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kfk s GLU 55 N -0.15 4.10 -0.30 1.61 1.03 -1.25 -4.75 118.70 119.00 2kfk s GLU 55 Ca 0.00 0.63 -0.28 0.00 0.03 0.00 0.00 54.97 55.34 2kfk s GLU 55 Cb 0.00 -3.22 0.01 0.00 -0.80 0.00 0.00 34.13 30.12 2kfk s GLU 55 CO 0.00 0.65 1.03 -2.00 -1.33 0.00 0.00 175.26 173.61 2kfk s GLU 56 N -1.14 4.09 -0.85 -4.83 2.12 -1.26 -0.13 118.70 116.70 2kfk s GLU 56 Ca 0.28 1.07 -0.25 0.00 0.36 0.00 0.00 54.97 56.42 2kfk s GLU 56 Cb -0.18 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2kfk s GLU 56 CO 0.17 -0.81 1.88 0.96 -0.54 0.00 0.00 175.26 176.92 2kfk s ILE 57 N 3.46 3.47 -0.01 -3.70 -0.00 0.21 -4.53 121.20 120.11 2kfk s ILE 57 Ca 0.43 -0.27 0.05 0.00 -0.00 0.00 0.00 60.65 60.86 2kfk s ILE 57 Cb -0.13 -4.09 -0.07 0.00 -0.00 0.00 0.00 42.46 38.16 2kfk s ILE 57 CO 0.13 -1.04 0.09 0.29 -0.00 0.00 0.00 174.94 174.41 2kfk n LYS 58 N 8.93 0.60 -4.33 0.37 5.02 -1.26 -4.50 118.16 123.00 2kfk n LYS 58 Ca 0.35 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.33 2kfk n LYS 58 Cb 0.48 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2kfk n LYS 58 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kfk s THR 59 N -2.30 2.95 0.34 -0.18 -4.23 -1.26 -4.76 115.64 106.21 2kfk s THR 59 Ca -0.02 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2kfk s THR 59 Cb 0.03 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.71 2kfk s THR 59 CO 0.20 -0.10 1.97 -2.24 -0.54 0.00 0.00 174.62 173.90 2kfk h ASP 60 N 3.04 0.74 0.00 3.99 3.04 -1.92 -2.39 116.42 122.93 2kfk h ASP 60 Ca -0.47 -0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2kfk h ASP 60 Cb 1.20 -0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 39.33 2kfk h ASP 60 CO 0.52 0.50 -0.00 -1.28 -2.04 0.00 0.00 179.24 176.94 2kfk h SER 61 N 0.85 0.00 0.00 4.15 0.87 -1.96 -1.51 113.55 115.96 2kfk h SER 61 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2kfk h SER 61 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2kfk h SER 61 CO -0.09 0.00 -0.62 0.00 -0.53 0.00 0.00 176.83 175.58 2kfk n GLN 62 N -3.19 0.39 -0.28 2.24 6.02 -0.92 -3.46 117.38 118.19 2kfk n GLN 62 Ca -0.03 0.30 0.04 0.00 -0.01 0.00 0.00 57.00 57.30 2kfk n GLN 62 Cb 0.07 -1.36 0.13 0.00 1.02 0.00 0.00 30.24 30.10 2kfk n GLN 62 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2kfk h VAL 63 N -0.80 0.22 0.43 5.09 -1.51 -1.54 0.71 116.25 118.85 2kfk h VAL 63 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 2kfk h VAL 63 Cb 0.62 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 2kfk h VAL 63 CO 0.00 0.00 -0.40 -1.28 -1.23 0.00 0.00 177.57 174.66 2kfk h SER 64 N 0.02 -1.10 -1.17 4.19 0.87 -1.40 -0.85 113.55 114.12 2kfk h SER 64 Ca 0.41 0.08 0.34 0.00 -1.23 0.00 0.00 61.79 61.39 2kfk h SER 64 Cb 0.67 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 2kfk h SER 64 CO -0.80 -0.54 0.90 -1.13 -0.53 0.00 0.00 176.83 174.73 2kfk h ASN 65 N -0.83 0.00 0.60 6.23 -1.24 -0.57 1.81 115.58 121.59 2kfk h ASN 65 Ca -0.06 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.80 2kfk h ASN 65 Cb 0.71 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 2kfk h ASN 65 CO -0.03 0.00 -0.72 0.40 -1.29 0.00 0.00 177.43 175.78 2kfk h ILE 66 N 0.00 1.48 -0.01 2.57 5.03 0.16 1.74 117.51 128.47 2kfk h ILE 66 Ca 0.56 -2.36 -0.18 0.00 -0.12 0.00 0.00 64.86 62.75 2kfk h ILE 66 Cb 2.34 2.27 -0.01 0.00 -3.03 0.00 0.00 36.82 38.39 2kfk h ILE 66 CO -0.01 0.68 -0.81 0.16 -0.68 0.00 0.00 178.15 177.49 2kfk h ILE 67 N 0.07 1.48 0.00 -0.67 3.07 0.38 0.32 117.51 122.16 2kfk h ILE 67 Ca -0.02 -2.49 -0.00 0.00 1.55 0.00 0.00 64.86 63.90 2kfk h ILE 67 Cb 1.28 2.37 -0.00 0.00 -0.27 0.00 0.00 36.82 40.19 2kfk h ILE 67 CO 0.10 0.73 -0.16 1.56 -1.05 0.00 0.00 178.15 179.33 2kfk h GLN 68 N 0.11 0.00 0.00 0.16 4.20 -0.81 -3.33 115.11 115.44 2kfk h GLN 68 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2kfk h GLN 68 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2kfk h GLN 68 CO 0.12 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 2kfk h ALA 69 N -0.95 1.00 -3.50 3.87 0.00 0.25 -3.46 119.26 116.48 2kfk h ALA 69 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2kfk h ALA 69 Cb 0.20 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.05 2kfk h ALA 69 CO -0.00 0.00 -0.42 1.63 0.00 0.00 0.00 179.25 180.46 2kfk n LYS 70 N -2.82 -3.98 -2.32 0.00 5.02 0.83 -4.96 118.16 109.93 2kfk n LYS 70 Ca -0.02 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.44 2kfk n LYS 70 Cb 0.12 -4.78 -0.03 0.00 -0.02 0.00 0.00 35.03 30.32 2kfk n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kfk s LEU 71 N -4.77 4.45 0.32 -0.35 1.02 0.54 -4.99 118.68 114.90 2kfk s LEU 71 Ca 0.27 2.31 -0.28 0.00 0.02 0.00 0.00 54.13 56.45 2kfk s LEU 71 Cb -0.12 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.39 2kfk s LEU 71 CO 0.33 -0.41 1.08 -0.54 0.02 0.00 0.00 176.35 176.83 2kfk s LYS 72 N -0.40 4.49 0.20 1.70 -0.14 -1.26 -4.61 119.74 119.72 2kfk s LYS 72 Ca 0.53 1.70 0.10 0.00 -1.36 0.00 0.00 55.97 56.93 2kfk s LYS 72 Cb -0.34 -2.98 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 2kfk s LYS 72 CO 0.38 0.11 -0.19 0.42 -0.76 0.00 0.00 175.35 175.31 2kfk s ILE 73 N -1.32 2.05 -0.16 2.17 1.01 -0.94 0.18 121.20 124.18 2kfk s ILE 73 Ca 0.49 -2.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 2kfk s ILE 73 Cb -0.28 -2.03 0.04 0.00 0.01 0.00 0.00 42.46 40.20 2kfk s ILE 73 CO 0.36 -0.33 -0.03 -0.44 0.00 0.00 0.00 174.94 174.50 2kfk s SER 74 N -2.94 2.75 -0.04 3.58 0.01 0.60 -0.65 113.70 117.01 2kfk s SER 74 Ca 0.21 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 2kfk s SER 74 Cb -0.05 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 2kfk s SER 74 CO 0.09 -0.21 0.19 0.54 0.41 0.00 0.00 173.24 174.27 2kfk s VAL 75 N 1.70 5.42 0.12 3.43 0.11 0.79 -1.38 120.40 130.58 2kfk s VAL 75 Ca 0.01 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 2kfk s VAL 75 Cb -0.15 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2kfk s VAL 75 CO -0.07 0.42 0.17 -1.00 -3.33 0.00 0.00 175.10 171.28 2kfk s HIS 76 N -1.24 0.42 0.68 1.54 3.76 -0.11 -3.35 115.29 117.00 2kfk s HIS 76 Ca 0.24 -0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 54.18 2kfk s HIS 76 Cb -0.13 -0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.40 2kfk s HIS 76 CO 0.14 -0.58 1.11 0.34 -0.85 0.00 0.00 174.74 174.90 2kfk s ASP 77 N -2.94 4.93 0.00 1.40 -1.08 -1.26 0.25 116.67 117.97 2kfk s ASP 77 Ca 0.13 1.99 0.03 0.00 -0.52 0.00 0.00 52.55 54.18 2kfk s ASP 77 Cb 0.05 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.99 2kfk s ASP 77 CO -0.05 -1.75 0.59 -0.38 0.52 0.00 0.00 175.17 174.10