#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfq s GLN 2 N 0.00 4.25 -0.18 2.12 -2.07 -1.26 -1.60 119.66 120.92 2hfq s GLN 2 Ca 0.00 0.53 -0.04 0.00 -1.82 0.00 0.00 55.36 54.03 2hfq s GLN 2 Cb 0.00 -3.37 -0.02 0.00 -1.09 0.00 0.00 33.01 28.53 2hfq s GLN 2 CO 0.00 0.33 -0.02 0.96 -1.32 0.00 0.00 175.29 175.23 2hfq s ILE 3 N 0.04 3.85 -0.51 3.63 -4.36 -0.46 -4.40 121.20 118.99 2hfq s ILE 3 Ca 0.27 -0.36 -0.22 0.00 -0.26 0.00 0.00 60.65 60.08 2hfq s ILE 3 Cb -0.16 -2.71 0.04 0.00 1.25 0.00 0.00 42.46 40.88 2hfq s ILE 3 CO 0.13 0.46 0.80 -1.00 0.24 0.00 0.00 174.94 175.57 2hfq s HIS 4 N 0.73 2.92 -0.65 1.37 3.76 0.98 -2.05 115.29 122.35 2hfq s HIS 4 Ca -0.01 -0.16 -0.27 0.00 -0.15 0.00 0.00 55.06 54.47 2hfq s HIS 4 Cb -0.14 -3.80 0.03 0.00 1.11 0.00 0.00 32.58 29.78 2hfq s HIS 4 CO 0.02 -1.17 1.21 0.08 -0.85 0.00 0.00 174.74 174.03 2hfq s VAL 5 N 3.36 3.92 -0.51 -0.90 1.01 -0.54 -2.48 120.40 124.26 2hfq s VAL 5 Ca 0.25 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.65 2hfq s VAL 5 Cb -0.15 -4.80 0.06 0.00 0.00 0.00 0.00 36.38 31.50 2hfq s VAL 5 CO 0.17 -1.56 0.60 -0.31 0.00 0.00 0.00 175.10 174.01 2hfq s TYR 6 N 5.20 3.07 -0.53 5.22 1.51 -0.84 -0.44 117.35 130.54 2hfq s TYR 6 Ca 0.38 -0.61 -0.27 0.00 -1.01 0.00 0.00 57.07 55.56 2hfq s TYR 6 Cb -0.08 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.23 2hfq s TYR 6 CO 0.20 -1.02 1.72 0.34 -1.11 0.00 0.00 175.55 175.67 2hfq s ASP 7 N 2.74 5.66 -0.48 2.29 -1.08 0.75 -1.32 116.67 125.23 2hfq s ASP 7 Ca 0.14 0.54 -0.12 0.00 -0.52 0.00 0.00 52.55 52.58 2hfq s ASP 7 Cb -0.20 -2.53 0.10 0.00 -1.46 0.00 0.00 42.92 38.83 2hfq s ASP 7 CO 0.11 -2.03 0.38 -0.89 0.52 0.00 0.00 175.17 173.25 2hfq s THR 8 N 7.70 4.70 -0.54 1.71 2.01 -1.12 -0.21 115.64 129.89 2hfq s THR 8 Ca 0.66 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 2hfq s THR 8 Cb -0.14 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.45 2hfq s THR 8 CO 0.25 -0.69 1.03 -0.31 -0.69 0.00 0.00 174.62 174.20 2hfq s TYR 9 N 1.50 2.76 -0.36 4.92 2.02 0.72 -3.14 117.35 125.77 2hfq s TYR 9 Ca 0.04 0.23 -0.08 0.00 -0.37 0.00 0.00 57.07 56.88 2hfq s TYR 9 Cb -0.26 -4.21 0.04 0.00 -0.40 0.00 0.00 41.96 37.13 2hfq s TYR 9 CO 0.03 -1.37 0.16 0.08 -1.57 0.00 0.00 175.55 172.87 2hfq s VAL 10 N 4.25 4.10 -0.69 0.71 1.01 0.22 -4.60 120.40 125.39 2hfq s VAL 10 Ca 0.36 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2hfq s VAL 10 Cb -0.10 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2hfq s VAL 10 CO 0.23 -0.25 1.34 -0.54 0.00 0.00 0.00 175.10 175.89 2hfq s LYS 11 N 1.45 3.17 0.48 2.72 1.02 -1.26 0.16 119.74 127.48 2hfq s LYS 11 Ca 0.00 -0.04 -0.24 0.00 0.02 0.00 0.00 55.97 55.71 2hfq s LYS 11 Cb -0.20 -4.18 -0.07 0.00 -0.52 0.00 0.00 37.83 32.86 2hfq s LYS 11 CO 0.04 -2.15 1.36 0.00 -0.92 0.00 0.00 175.35 173.69 2hfq s ALA 12 N 6.04 3.08 0.42 5.17 0.00 0.83 -4.73 121.76 132.57 2hfq s ALA 12 Ca 0.41 1.34 0.40 0.00 0.00 0.00 0.00 51.96 54.11 2hfq s ALA 12 Cb -0.09 -3.55 2.01 0.00 0.00 0.00 0.00 23.12 21.49 2hfq s ALA 12 CO 0.18 -1.16 2.20 0.87 0.00 0.00 0.00 175.76 177.85 2hfq h LYS 13 N 2.06 0.00 0.00 0.00 1.57 -1.94 0.35 116.57 118.61 2hfq h LYS 13 Ca -0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2hfq h LYS 13 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2hfq h LYS 13 CO 0.60 0.00 -0.03 0.22 -0.57 0.00 0.00 179.45 179.67 2hfq h ASP 14 N 0.00 0.00 -0.32 0.86 3.58 -2.01 -3.46 116.42 115.07 2hfq h ASP 14 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hfq h ASP 14 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2hfq h ASP 14 CO 0.00 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2hfq n GLY 15 N -1.14 0.77 2.93 -0.78 0.00 0.12 -5.12 105.19 101.97 2hfq n GLY 15 Ca -0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2hfq n GLY 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hfq s HIS 16 N -1.88 0.38 -0.47 1.61 5.04 -1.18 -4.97 115.29 113.82 2hfq s HIS 16 Ca 0.00 -0.07 -0.19 0.00 -1.54 0.00 0.00 55.06 53.26 2hfq s HIS 16 Cb 0.00 -0.26 0.04 0.00 0.04 0.00 0.00 32.58 32.40 2hfq s HIS 16 CO 0.00 -0.02 0.59 0.08 -2.34 0.00 0.00 174.74 173.05 2hfq s VAL 17 N 0.00 4.91 -0.66 0.89 1.01 -1.26 -0.12 120.40 125.17 2hfq s VAL 17 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2hfq s VAL 17 Cb -0.03 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.19 2hfq s VAL 17 CO -0.00 -0.66 1.09 -0.04 0.00 0.00 0.00 175.10 175.49 2hfq s MET 18 N 2.57 3.21 -0.50 2.72 -1.94 0.12 -4.33 119.30 121.17 2hfq s MET 18 Ca 0.17 -0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 53.56 2hfq s MET 18 Cb -0.17 -4.16 0.10 0.00 2.01 0.00 0.00 34.83 32.61 2hfq s MET 18 CO 0.14 -1.87 0.42 -1.58 -0.01 0.00 0.00 175.02 172.12 2hfq s HIS 19 N 4.73 3.27 -0.02 -0.03 2.46 0.51 -0.61 115.29 125.61 2hfq s HIS 19 Ca 0.30 -1.21 0.07 0.00 0.47 0.00 0.00 55.06 54.68 2hfq s HIS 19 Cb -0.12 -3.45 -0.02 0.00 -0.13 0.00 0.00 32.58 28.86 2hfq s HIS 19 CO 0.15 -0.91 -0.22 -0.59 -2.47 0.00 0.00 174.74 170.70 2hfq s PHE 20 N 1.58 2.46 -0.29 3.88 -0.12 -1.19 -0.85 117.98 123.46 2hfq s PHE 20 Ca 0.04 -0.33 -0.15 0.00 -0.05 0.00 0.00 56.93 56.43 2hfq s PHE 20 Cb -0.27 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.57 2hfq s PHE 20 CO 0.04 0.07 0.36 -0.51 -0.05 0.00 0.00 175.22 175.14 2hfq s ASP 21 N -0.79 6.22 -0.65 1.98 1.01 -0.13 -2.80 116.67 121.51 2hfq s ASP 21 Ca 0.11 0.15 -0.24 0.00 0.71 0.00 0.00 52.55 53.27 2hfq s ASP 21 Cb -0.10 -2.20 0.05 0.00 1.01 0.00 0.00 42.92 41.68 2hfq s ASP 21 CO 0.00 -0.22 1.04 -0.69 0.21 0.00 0.00 175.17 175.52 2hfq s VAL 22 N 2.05 4.18 -0.34 -1.27 1.01 -0.43 -2.24 120.40 123.36 2hfq s VAL 22 Ca 0.14 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 2hfq s VAL 22 Cb -0.16 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.52 2hfq s VAL 22 CO 0.11 -1.47 0.91 -0.36 0.00 0.00 0.00 175.10 174.29 2hfq s PHE 23 N 4.47 3.13 0.03 5.22 0.08 -0.23 -1.98 117.98 128.71 2hfq s PHE 23 Ca 0.28 0.87 0.04 0.00 0.12 0.00 0.00 56.93 58.24 2hfq s PHE 23 Cb -0.13 -3.52 -0.02 0.00 -0.57 0.00 0.00 43.02 38.78 2hfq s PHE 23 CO 0.14 -0.73 -0.12 0.95 -0.10 0.00 0.00 175.22 175.36 2hfq s THR 24 N 3.34 0.89 -0.17 0.64 -4.23 -1.04 -1.26 115.64 113.82 2hfq s THR 24 Ca 0.38 -0.88 0.19 0.00 -1.18 0.00 0.00 61.69 60.19 2hfq s THR 24 Cb -0.13 -0.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.83 2hfq s THR 24 CO 0.16 -0.04 0.97 -0.78 -0.54 0.00 0.00 174.62 174.39 2hfq h ASP 25 N 5.04 0.00 -3.92 3.99 3.58 -1.80 0.28 116.42 123.59 2hfq h ASP 25 Ca -0.36 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.59 2hfq h ASP 25 Cb 1.19 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.28 2hfq h ASP 25 CO 0.44 0.36 0.50 -0.69 -2.88 0.00 0.00 179.24 176.98 2hfq s VAL 26 N -3.08 3.23 -0.59 2.25 1.01 -1.26 -4.89 120.40 117.07 2hfq s VAL 26 Ca -0.01 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 2hfq s VAL 26 Cb 0.09 -3.61 0.51 0.00 0.00 0.00 0.00 36.38 33.37 2hfq s VAL 26 CO 0.79 0.12 2.00 -2.11 0.00 0.00 0.00 175.10 175.90 2hfq n ARG 27 N 0.26 2.53 -3.76 2.72 1.85 -1.26 -4.88 116.66 114.12 2hfq n ARG 27 Ca 0.03 -3.15 -0.36 0.00 -1.00 0.00 0.00 57.85 53.37 2hfq n ARG 27 Cb 0.46 -2.24 -0.12 0.00 -1.05 0.00 0.00 32.46 29.51 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hfq s ASP 28 N -1.61 5.16 0.03 2.89 -1.08 -1.26 -5.00 116.67 115.81 2hfq s ASP 28 Ca 0.61 -0.19 -0.19 0.00 -0.52 0.00 0.00 52.55 52.26 2hfq s ASP 28 Cb 0.49 -1.93 -0.18 0.00 -1.46 0.00 0.00 42.92 39.85 2hfq s ASP 28 CO 0.03 -0.03 1.23 0.44 0.52 0.00 0.00 175.17 177.36 2hfq h ASP 29 N 8.20 0.52 0.99 -0.34 3.32 -2.01 -3.16 116.42 123.93 2hfq h ASP 29 Ca -0.38 -0.62 -0.11 0.00 0.02 0.00 0.00 57.03 55.93 2hfq h ASP 29 Cb 1.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2hfq h ASP 29 CO 0.58 1.06 -0.55 0.07 -1.72 0.00 0.00 179.24 178.68 2hfq h LYS 30 N 0.01 0.00 -0.38 3.56 2.10 -1.98 -2.81 116.57 117.06 2hfq h LYS 30 Ca -0.02 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2hfq h LYS 30 Cb 1.03 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2hfq h LYS 30 CO 0.08 0.55 0.18 0.87 -2.00 0.00 0.00 179.45 179.13 2hfq h LYS 31 N 0.00 0.37 -0.84 0.07 1.79 -1.99 0.97 116.57 116.93 2hfq h LYS 31 Ca -0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2hfq h LYS 31 Cb 1.19 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 2hfq h LYS 31 CO 0.07 0.24 0.54 0.00 -1.08 0.00 0.00 179.45 179.23 2hfq h ALA 32 N 1.21 1.37 -0.31 3.86 0.00 -1.47 0.16 119.26 124.08 2hfq h ALA 32 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2hfq h ALA 32 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2hfq h ALA 32 CO -0.12 0.57 0.10 0.82 0.00 0.00 0.00 179.25 180.63 2hfq h ILE 33 N 1.15 1.20 -0.54 0.00 2.04 -1.20 -1.54 117.51 118.62 2hfq h ILE 33 Ca 0.31 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 2hfq h ILE 33 Cb -0.11 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2hfq h ILE 33 CO -0.06 0.21 0.12 -0.33 0.00 0.00 0.00 178.15 178.09 2hfq h GLU 34 N 0.34 0.83 -0.78 2.37 5.08 -0.08 -0.60 114.58 121.75 2hfq h GLU 34 Ca 0.10 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2hfq h GLU 34 Cb 0.23 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2hfq h GLU 34 CO -0.00 0.76 0.34 0.74 -1.00 0.00 0.00 179.01 179.84 2hfq h PHE 35 N 0.80 1.16 -0.36 4.33 0.04 -0.50 0.44 116.94 122.86 2hfq h PHE 35 Ca 0.17 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2hfq h PHE 35 Cb 0.31 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2hfq h PHE 35 CO 0.02 0.87 0.13 0.00 -0.60 0.00 0.00 178.31 178.73 2hfq h ALA 36 N 1.18 0.46 -0.06 2.45 0.00 -0.70 -0.86 119.26 121.72 2hfq h ALA 36 Ca 0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2hfq h ALA 36 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hfq h ALA 36 CO -0.03 0.08 -0.35 0.87 0.00 0.00 0.00 179.25 179.82 2hfq h LYS 37 N 0.43 0.13 -0.39 0.00 1.57 -0.79 -0.53 116.57 116.99 2hfq h LYS 37 Ca 0.12 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2hfq h LYS 37 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2hfq h LYS 37 CO -0.01 0.47 -0.18 0.37 -0.57 0.00 0.00 179.45 179.53 2hfq h GLN 38 N 0.11 0.73 -0.48 3.15 4.15 0.23 0.90 115.11 123.90 2hfq h GLN 38 Ca 0.01 -0.27 -0.11 0.00 0.77 0.00 0.00 58.65 59.05 2hfq h GLN 38 Cb 0.68 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2hfq h GLN 38 CO 0.05 0.86 -0.14 2.35 -1.93 0.00 0.00 178.83 180.02 2hfq h TRP 39 N 0.65 1.07 0.00 3.99 7.01 -0.67 -2.16 115.95 125.84 2hfq h TRP 39 Ca 0.10 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 60.83 2hfq h TRP 39 Cb 0.66 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2hfq h TRP 39 CO 0.03 1.03 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.52 2hfq h LEU 40 N 0.80 0.00 -0.20 0.65 3.38 -0.59 -1.59 115.31 117.76 2hfq h LEU 40 Ca 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 2hfq h LEU 40 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2hfq h LEU 40 CO 0.05 0.13 -0.88 -1.28 0.09 0.00 0.00 178.44 176.55 2hfq h SER 41 N 0.00 0.65 1.70 -0.43 0.87 -0.46 0.35 113.55 116.23 2hfq h SER 41 Ca -0.00 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2hfq h SER 41 Cb 0.25 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2hfq h SER 41 CO 0.02 1.26 -0.30 0.77 -0.53 0.00 0.00 176.83 178.05 2hfq h SER 42 N 0.32 0.00 0.45 6.23 4.64 -0.87 -2.92 113.55 121.40 2hfq h SER 42 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2hfq h SER 42 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2hfq h SER 42 CO 0.16 0.26 -0.26 2.30 -0.87 0.00 0.00 176.83 178.42 2hfq n ILE 43 N -3.15 0.00 -2.40 0.95 -5.35 -0.65 -4.95 119.36 103.81 2hfq n ILE 43 Ca 0.03 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2hfq n ILE 43 Cb 0.64 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2hfq n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hfq n GLY 44 N 1.40 0.89 0.05 3.28 0.00 -1.10 -5.02 105.19 104.67 2hfq n GLY 44 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2hfq n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hfq n GLU 45 N -0.57 0.00 -2.28 1.61 0.00 0.09 -5.01 120.64 114.50 2hfq n GLU 45 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 2hfq n GLU 45 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 31.44 31.86 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2hfq n GLU 46 N -1.50 -1.65 -0.01 5.31 1.02 -1.12 -4.82 120.64 117.87 2hfq n GLU 46 Ca 0.00 1.05 -0.01 0.00 -0.02 0.00 0.00 57.16 58.19 2hfq n GLU 46 Cb 0.00 -5.68 -0.01 0.00 -0.02 0.00 0.00 31.44 25.73 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hfq n GLY 47 N -0.92 -0.02 3.67 0.62 0.00 -1.26 -5.01 105.19 102.27 2hfq n GLY 47 Ca -0.24 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2hfq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfq s ALA 48 N -2.03 3.65 -0.43 4.61 0.00 -1.26 -4.93 121.76 121.37 2hfq s ALA 48 Ca -0.02 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 2hfq s ALA 48 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.35 2hfq s ALA 48 CO 0.03 -1.40 1.27 0.99 0.00 0.00 0.00 175.76 176.65 2hfq s THR 49 N 3.70 4.07 -0.20 0.00 2.01 -1.26 -5.00 115.64 118.96 2hfq s THR 49 Ca 0.83 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.92 2hfq s THR 49 Cb -0.42 -4.38 -0.00 0.00 0.01 0.00 0.00 72.50 67.70 2hfq s THR 49 CO 0.38 -0.84 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.68 2hfq s VAL 50 N 4.88 2.98 0.00 3.82 1.01 -1.26 -4.89 120.40 126.93 2hfq s VAL 50 Ca 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2hfq s VAL 50 Cb -0.11 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2hfq s VAL 50 CO 0.31 0.46 0.00 0.35 0.00 0.00 0.00 175.10 176.22 2hfq n THR 51 N 4.63 0.00 0.45 3.92 -2.24 -1.26 -4.97 114.28 114.81 2hfq n THR 51 Ca -0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2hfq n THR 51 Cb 0.51 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.09 2hfq n THR 51 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2hfq n SER 52 N -0.38 0.18 0.04 3.42 3.41 -1.26 -0.29 113.62 118.73 2hfq n SER 52 Ca 0.00 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 58.95 2hfq n SER 52 Cb 0.00 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.22 2hfq n SER 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2hfq h GLU 53 N 0.00 0.28 -0.04 4.33 4.22 -1.99 -3.38 114.58 118.01 2hfq h GLU 53 Ca 0.00 -0.49 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 2hfq h GLU 53 Cb 0.27 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2hfq h GLU 53 CO 0.00 1.23 -0.25 0.93 -2.18 0.00 0.00 179.01 178.74 2hfq h GLU 54 N -0.34 0.24 -4.49 1.92 3.07 -1.72 -3.42 114.58 109.83 2hfq h GLU 54 Ca -0.20 -0.20 -0.72 0.00 -0.50 0.00 0.00 59.36 57.73 2hfq h GLU 54 Cb 1.70 0.05 -0.22 0.00 -0.84 0.00 0.00 28.75 29.43 2hfq h GLU 54 CO 0.12 0.87 -0.43 0.00 -1.40 0.00 0.00 179.01 178.17 2hfq s ARG 56 N 1.66 2.04 -0.27 0.00 0.52 0.71 -4.36 118.95 119.24 2hfq s ARG 56 Ca 0.04 -1.91 -0.11 0.00 -0.52 0.00 0.00 55.73 53.24 2hfq s ARG 56 Cb -0.20 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 2hfq s ARG 56 CO 0.09 0.02 0.17 0.12 0.02 0.00 0.00 175.30 175.72 2hfq s PHE 57 N -2.61 3.22 -0.01 -0.53 5.36 -1.26 -0.18 117.98 121.97 2hfq s PHE 57 Ca 0.36 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.41 2hfq s PHE 57 Cb 0.04 -2.35 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 2hfq s PHE 57 CO 0.19 -0.15 0.00 0.00 -1.46 0.00 0.00 175.22 173.80 2hfq n HIS 59 N -2.21 -0.71 -4.36 0.00 1.44 -1.25 -5.02 115.22 103.11 2hfq n HIS 59 Ca -0.00 -0.90 -0.34 0.00 -2.01 0.00 0.00 57.72 54.47 2hfq n HIS 59 Cb 0.00 0.42 -0.12 0.00 0.12 0.00 0.00 29.99 30.41 2hfq n HIS 59 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2hfq s SER 60 N -3.69 4.76 0.31 4.39 0.01 -1.26 -1.47 113.70 116.75 2hfq s SER 60 Ca 0.28 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.41 2hfq s SER 60 Cb -0.01 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 2hfq s SER 60 CO 0.01 0.15 0.13 -1.83 0.41 0.00 0.00 173.24 172.12 2hfq s GLU 61 N 0.46 1.62 -0.09 12.44 -1.05 -0.87 -4.94 118.70 126.27 2hfq s GLU 61 Ca -0.04 -1.92 -0.30 0.00 -0.15 0.00 0.00 54.97 52.56 2hfq s GLU 61 Cb -0.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.25 2hfq s GLU 61 CO 0.03 -0.40 1.02 0.21 0.95 0.00 0.00 175.26 177.06 2hfq s LYS 62 N -3.85 4.44 0.20 -4.83 2.20 -1.26 -1.35 119.74 115.29 2hfq s LYS 62 Ca 0.34 1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 57.07 2hfq s LYS 62 Cb 0.05 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 2hfq s LYS 62 CO 0.16 -0.29 0.97 0.00 -0.36 0.00 0.00 175.35 175.83 2hfq s ALA 63 N 1.89 3.32 0.50 3.13 0.00 -0.63 -4.90 121.76 125.07 2hfq s ALA 63 Ca 0.49 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 2hfq s ALA 63 Cb -0.19 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2hfq s ALA 63 CO 0.19 0.08 1.10 -2.14 0.00 0.00 0.00 175.76 175.00 2hfq s PRO 64 N -0.78 3.63 0.50 0.00 0.02 -1.26 -4.73 135.00 132.38 2hfq s PRO 64 Ca 0.44 1.56 0.18 0.00 0.02 0.00 0.00 61.00 63.20 2hfq s PRO 64 Cb -0.26 -2.15 1.23 0.00 0.02 0.00 0.00 34.50 33.34 2hfq s PRO 64 CO 0.32 -0.61 2.04 0.38 -0.33 0.00 0.00 177.00 178.81 2hfq h ASP 65 N 1.57 0.12 -0.74 2.53 2.03 -2.00 -1.40 116.42 118.53 2hfq h ASP 65 Ca -0.50 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.76 2hfq h ASP 65 Cb 1.24 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 2hfq h ASP 65 CO 0.59 0.08 0.29 -0.08 -1.03 0.00 0.00 179.24 179.08 2hfq h GLU 66 N 0.14 1.12 0.00 4.15 4.57 -2.02 -2.83 114.58 119.71 2hfq h GLU 66 Ca 0.17 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 2hfq h GLU 66 Cb 0.51 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2hfq h GLU 66 CO -0.02 0.92 -0.76 -0.39 -1.18 0.00 0.00 179.01 177.58 2hfq h VAL 67 N 1.09 0.84 0.14 0.32 -1.51 -1.65 -3.27 116.25 112.21 2hfq h VAL 67 Ca 0.25 -2.25 -0.01 0.00 -1.23 0.00 0.00 66.70 63.46 2hfq h VAL 67 Cb 0.22 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2hfq h VAL 67 CO -0.02 0.48 -0.07 0.40 -1.23 0.00 0.00 177.57 177.13 2hfq h ILE 68 N 0.00 0.99 0.00 7.19 2.04 -1.21 0.11 117.51 126.64 2hfq h ILE 68 Ca -0.04 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2hfq h ILE 68 Cb 1.46 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2hfq h ILE 68 CO 0.07 0.15 -0.13 -0.33 0.00 0.00 0.00 178.15 177.90 2hfq h GLU 69 N -0.49 0.00 -0.07 2.37 5.08 -1.71 0.01 114.58 119.77 2hfq h GLU 69 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2hfq h GLU 69 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2hfq h GLU 69 CO 0.03 0.13 -0.25 0.00 -1.00 0.00 0.00 179.01 177.93 2hfq h ALA 70 N 1.87 0.13 -0.37 3.43 0.00 -1.53 -2.13 119.26 120.66 2hfq h ALA 70 Ca -0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2hfq h ALA 70 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2hfq h ALA 70 CO 0.02 0.12 -0.36 0.82 0.00 0.00 0.00 179.25 179.85 2hfq h ILE 71 N -0.20 1.28 0.00 0.00 2.04 -0.67 -1.57 117.51 118.39 2hfq h ILE 71 Ca -0.01 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 2hfq h ILE 71 Cb 0.88 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2hfq h ILE 71 CO 0.05 0.51 -0.09 0.50 0.00 0.00 0.00 178.15 179.12 2hfq h LYS 72 N 0.71 0.00 0.00 2.37 3.64 -1.03 0.53 116.57 122.80 2hfq h LYS 72 Ca 0.06 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2hfq h LYS 72 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2hfq h LYS 72 CO 0.09 0.09 -0.50 0.37 -2.27 0.00 0.00 179.45 177.24 2hfq h GLN 73 N 0.00 0.00 0.00 1.90 4.15 -1.10 -3.41 115.11 116.65 2hfq h GLN 73 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2hfq h GLN 73 Cb 0.25 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2hfq h GLN 73 CO 0.01 0.69 -1.83 0.09 -1.93 0.00 0.00 178.83 175.86 2hfq n ASN 74 N -4.58 0.16 0.00 -0.69 3.02 -0.61 -4.97 115.26 107.58 2hfq n ASN 74 Ca -0.15 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2hfq n ASN 74 Cb 0.44 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.28 2hfq n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hfq n GLY 75 N 1.27 3.20 3.24 7.41 0.00 0.19 -5.00 105.19 115.48 2hfq n GLY 75 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2hfq n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hfq s TYR 76 N -2.91 -0.14 -0.22 1.61 1.13 -1.25 -4.53 117.35 111.04 2hfq s TYR 76 Ca 0.00 0.13 0.01 0.00 -1.41 0.00 0.00 57.07 55.80 2hfq s TYR 76 Cb 0.00 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 41.00 2hfq s TYR 76 CO 0.00 -0.44 -0.09 0.12 -2.51 0.00 0.00 175.55 172.63 2hfq s PHE 77 N -1.86 2.57 -0.69 -3.49 5.36 -0.39 -4.60 117.98 114.88 2hfq s PHE 77 Ca -0.10 -1.77 -0.21 0.00 -0.96 0.00 0.00 56.93 53.90 2hfq s PHE 77 Cb -0.03 -1.68 0.09 0.00 -0.34 0.00 0.00 43.02 41.06 2hfq s PHE 77 CO 0.01 -0.78 0.92 0.42 -1.46 0.00 0.00 175.22 174.33 2hfq s ILE 78 N 1.34 4.54 -0.52 3.12 -1.09 -1.26 -1.06 121.20 126.27 2hfq s ILE 78 Ca -0.04 -0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 57.44 2hfq s ILE 78 Cb -0.17 -4.65 0.09 0.00 -1.58 0.00 0.00 42.46 36.14 2hfq s ILE 78 CO -0.07 -1.37 0.54 -0.47 -1.23 0.00 0.00 174.94 172.33 2hfq s TYR 79 N 3.40 3.14 -0.51 3.97 5.04 -0.95 -4.98 117.35 126.47 2hfq s TYR 79 Ca 0.21 -0.89 -0.27 0.00 -2.44 0.00 0.00 57.07 53.68 2hfq s TYR 79 Cb -0.17 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.55 2hfq s TYR 79 CO 0.05 -1.01 1.95 0.15 -1.34 0.00 0.00 175.55 175.35 2hfq s LYS 80 N 2.12 2.73 -0.22 4.97 3.01 -1.26 -0.96 119.74 130.14 2hfq s LYS 80 Ca 0.08 1.00 -0.17 0.00 -1.01 0.00 0.00 55.97 55.87 2hfq s LYS 80 Cb -0.24 -4.37 -0.13 0.00 -1.01 0.00 0.00 37.83 32.08 2hfq s LYS 80 CO 0.07 -2.58 -0.09 -0.12 0.51 0.00 0.00 175.35 173.14 2hfq n MET 81 N 8.94 0.55 -3.70 1.68 1.56 -1.13 -4.98 117.12 120.04 2hfq n MET 81 Ca 0.24 0.43 -0.14 0.00 -0.27 0.00 0.00 57.70 57.96 2hfq n MET 81 Cb 0.51 -1.62 -0.08 0.00 2.15 0.00 0.00 33.22 34.17 2hfq n MET 81 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2hfq s GLU 82 N -2.45 0.71 0.00 2.12 2.56 -0.03 -4.92 118.70 116.69 2hfq s GLU 82 Ca -0.30 0.08 0.00 0.00 0.00 0.00 0.00 54.97 54.75 2hfq s GLU 82 Cb 0.08 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.54 2hfq s GLU 82 CO 0.49 -0.19 0.00 0.41 -0.56 0.00 0.00 175.26 175.41 2hfq n GLY 83 N 1.56 1.38 3.94 -1.50 0.00 -1.26 -0.36 105.19 108.94 2hfq n GLY 83 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32