#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 3.92 -0.19 2.12 -1.52 -1.26 -2.78 119.66 119.96 2hfq s GLN 2 Ca 0.00 -0.34 -0.14 0.00 -1.95 0.00 0.00 55.36 52.92 2hfq s GLN 2 Cb 0.00 -3.50 -0.04 0.00 -0.22 0.00 0.00 33.01 29.25 2hfq s GLN 2 CO 0.00 -0.06 0.33 0.96 -0.25 0.00 0.00 175.29 176.27 2hfq s ILE 3 N 1.36 5.27 -0.41 1.08 -4.36 -0.42 -4.65 121.20 119.06 2hfq s ILE 3 Ca 0.06 0.58 -0.28 0.00 -0.26 0.00 0.00 60.65 60.76 2hfq s ILE 3 Cb -0.15 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.92 2hfq s ILE 3 CO 0.06 0.32 1.06 -1.00 0.24 0.00 0.00 174.94 175.63 2hfq s HIS 4 N 0.89 2.97 -0.62 1.37 3.76 0.51 -1.60 115.29 122.58 2hfq s HIS 4 Ca 0.17 0.84 -0.25 0.00 -0.15 0.00 0.00 55.06 55.67 2hfq s HIS 4 Cb -0.14 -4.02 0.05 0.00 1.11 0.00 0.00 32.58 29.57 2hfq s HIS 4 CO 0.06 -1.02 1.05 0.08 -0.85 0.00 0.00 174.74 174.06 2hfq s VAL 5 N 3.97 4.19 -0.78 -0.90 1.01 0.34 -2.32 120.40 125.90 2hfq s VAL 5 Ca 0.44 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 2hfq s VAL 5 Cb -0.10 -4.68 0.20 0.00 0.00 0.00 0.00 36.38 31.80 2hfq s VAL 5 CO 0.24 -1.39 0.67 -0.31 0.00 0.00 0.00 175.10 174.31 2hfq s TYR 6 N 4.48 3.68 -0.22 5.22 2.02 -0.68 -1.60 117.35 130.25 2hfq s TYR 6 Ca 0.31 -2.43 -0.29 0.00 -0.37 0.00 0.00 57.07 54.29 2hfq s TYR 6 Cb -0.12 -3.53 0.01 0.00 -0.40 0.00 0.00 41.96 37.92 2hfq s TYR 6 CO 0.17 -0.90 1.06 0.16 -1.57 0.00 0.00 175.55 174.46 2hfq s ASP 7 N 1.28 7.09 -0.16 2.29 -4.77 0.24 -0.75 116.67 121.91 2hfq s ASP 7 Ca 0.20 1.41 -0.07 0.00 -3.30 0.00 0.00 52.55 50.78 2hfq s ASP 7 Cb -0.14 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 2hfq s ASP 7 CO -0.07 -0.67 0.10 -0.89 0.70 0.00 0.00 175.17 174.34 2hfq s THR 8 N 3.17 5.15 -0.91 2.11 2.01 0.64 -0.72 115.64 127.08 2hfq s THR 8 Ca 0.45 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.46 2hfq s THR 8 Cb -0.16 -3.29 0.23 0.00 0.01 0.00 0.00 72.50 69.30 2hfq s THR 8 CO 0.07 0.52 0.84 -0.31 -0.69 0.00 0.00 174.62 175.06 2hfq s TYR 9 N -0.21 3.92 -0.27 4.92 1.51 0.10 -2.15 117.35 125.18 2hfq s TYR 9 Ca 0.09 -2.59 -0.20 0.00 -1.01 0.00 0.00 57.07 53.36 2hfq s TYR 9 Cb -0.12 -3.60 -0.02 0.00 -0.11 0.00 0.00 41.96 38.12 2hfq s TYR 9 CO 0.01 -0.89 0.64 0.08 -1.11 0.00 0.00 175.55 174.28 2hfq s VAL 10 N -0.74 4.96 -0.84 0.71 1.01 -0.34 -4.87 120.40 120.30 2hfq s VAL 10 Ca 0.25 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 2hfq s VAL 10 Cb -0.11 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.37 2hfq s VAL 10 CO -0.09 -0.03 1.26 -0.54 0.00 0.00 0.00 175.10 175.71 2hfq s LYS 11 N 2.55 3.35 0.48 2.72 3.01 -1.26 0.31 119.74 130.91 2hfq s LYS 11 Ca 0.26 -0.79 -0.20 0.00 -1.01 0.00 0.00 55.97 54.23 2hfq s LYS 11 Cb -0.15 -4.65 -0.09 0.00 -1.01 0.00 0.00 37.83 31.93 2hfq s LYS 11 CO 0.09 -2.07 1.01 0.00 0.51 0.00 0.00 175.35 174.90 2hfq s ALA 12 N 4.87 2.91 0.51 5.17 0.00 -0.20 -4.92 121.76 130.11 2hfq s ALA 12 Ca 0.36 0.50 0.39 0.00 0.00 0.00 0.00 51.96 53.21 2hfq s ALA 12 Cb -0.07 -3.22 2.04 0.00 0.00 0.00 0.00 23.12 21.88 2hfq s ALA 12 CO 0.03 -0.25 2.25 0.87 0.00 0.00 0.00 175.76 178.66 2hfq h LYS 13 N 1.48 0.00 0.00 0.00 1.57 -1.94 -1.00 116.57 116.68 2hfq h LYS 13 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2hfq h LYS 13 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2hfq h LYS 13 CO 0.60 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 179.24 2hfq n ASP 14 N -3.24 0.00 -0.91 0.86 9.92 -1.26 -4.80 116.55 117.12 2hfq n ASP 14 Ca -0.02 -1.16 -0.10 0.00 -0.53 0.00 0.00 54.79 52.98 2hfq n ASP 14 Cb 0.14 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hfq n GLY 15 N 0.19 0.56 3.22 0.44 0.00 -0.38 -5.00 105.19 104.23 2hfq n GLY 15 Ca 0.04 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2hfq n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hfq s HIS 16 N -2.41 2.56 -0.75 1.61 3.76 -1.22 -4.97 115.29 113.87 2hfq s HIS 16 Ca 0.00 -1.04 -0.26 0.00 -0.15 0.00 0.00 55.06 53.61 2hfq s HIS 16 Cb 0.00 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 32.02 2hfq s HIS 16 CO 0.00 -0.41 1.24 0.08 -0.85 0.00 0.00 174.74 174.79 2hfq s VAL 17 N 0.33 3.84 -1.00 -0.90 1.01 -1.26 -1.03 120.40 121.39 2hfq s VAL 17 Ca -0.19 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2hfq s VAL 17 Cb -0.18 -4.89 0.05 0.00 0.00 0.00 0.00 36.38 31.36 2hfq s VAL 17 CO 0.09 -1.80 1.44 -0.04 0.00 0.00 0.00 175.10 174.79 2hfq s MET 18 N 5.40 3.55 -0.54 2.72 1.00 0.15 -4.86 119.30 126.72 2hfq s MET 18 Ca 0.34 -1.05 -0.17 0.00 0.00 0.00 0.00 55.69 54.81 2hfq s MET 18 Cb -0.09 -5.27 0.11 0.00 0.00 0.00 0.00 34.83 29.58 2hfq s MET 18 CO 0.13 -2.21 0.54 -1.58 0.00 0.00 0.00 175.02 171.89 2hfq s HIS 19 N 5.08 3.18 0.10 -0.03 2.46 -1.24 -1.19 115.29 123.64 2hfq s HIS 19 Ca 0.45 -1.11 0.08 0.00 0.47 0.00 0.00 55.06 54.95 2hfq s HIS 19 Cb -0.01 -3.74 -0.04 0.00 -0.13 0.00 0.00 32.58 28.67 2hfq s HIS 19 CO -0.08 -1.05 -0.21 -0.59 -2.47 0.00 0.00 174.74 170.33 2hfq s PHE 20 N 1.92 1.83 -0.33 3.88 -0.71 -0.91 -4.02 117.98 119.64 2hfq s PHE 20 Ca 0.06 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.38 2hfq s PHE 20 Cb -0.27 -1.01 -0.01 0.00 -1.21 0.00 0.00 43.02 40.52 2hfq s PHE 20 CO 0.05 0.21 0.40 -0.51 -1.34 0.00 0.00 175.22 174.04 2hfq s ASP 21 N -1.91 6.23 -0.71 1.98 1.11 -0.85 -0.26 116.67 122.25 2hfq s ASP 21 Ca 0.07 -0.08 -0.22 0.00 0.18 0.00 0.00 52.55 52.50 2hfq s ASP 21 Cb -0.10 -2.22 0.08 0.00 1.07 0.00 0.00 42.92 41.75 2hfq s ASP 21 CO 0.04 -0.35 1.01 -0.69 1.18 0.00 0.00 175.17 176.37 2hfq s VAL 22 N 2.12 4.37 -0.32 -1.27 1.01 0.07 -0.75 120.40 125.63 2hfq s VAL 22 Ca 0.14 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2hfq s VAL 22 Cb -0.16 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.51 2hfq s VAL 22 CO 0.12 -1.49 0.90 -0.36 0.00 0.00 0.00 175.10 174.27 2hfq s PHE 23 N 3.90 3.17 -0.00 5.22 0.08 0.12 -1.68 117.98 128.77 2hfq s PHE 23 Ca 0.25 0.93 0.04 0.00 0.12 0.00 0.00 56.93 58.27 2hfq s PHE 23 Cb -0.14 -3.44 -0.01 0.00 -0.57 0.00 0.00 43.02 38.85 2hfq s PHE 23 CO 0.06 -0.68 -0.14 0.95 -0.10 0.00 0.00 175.22 175.32 2hfq s THR 24 N 3.27 1.11 0.07 0.64 -4.23 -0.98 -1.18 115.64 114.32 2hfq s THR 24 Ca 0.37 -0.65 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 2hfq s THR 24 Cb -0.13 -0.93 -0.29 0.00 1.34 0.00 0.00 72.50 72.49 2hfq s THR 24 CO 0.14 0.27 1.12 -0.78 -0.54 0.00 0.00 174.62 174.84 2hfq h ASP 25 N 5.67 0.46 -2.37 3.99 3.58 -1.83 0.15 116.42 126.07 2hfq h ASP 25 Ca -0.35 -0.50 -0.53 0.00 0.42 0.00 0.00 57.03 56.07 2hfq h ASP 25 Cb 1.16 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 42.08 2hfq h ASP 25 CO 0.48 1.39 1.23 -0.69 -2.88 0.00 0.00 179.24 178.77 2hfq s VAL 26 N -2.65 3.04 -0.43 2.25 1.01 -1.26 -4.84 120.40 117.52 2hfq s VAL 26 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2hfq s VAL 26 Cb 0.07 -3.03 0.38 0.00 0.00 0.00 0.00 36.38 33.80 2hfq s VAL 26 CO 0.89 -0.00 1.91 -2.11 0.00 0.00 0.00 175.10 175.78 2hfq n ARG 27 N 7.55 2.12 -4.00 2.72 0.00 -1.26 -4.86 116.66 118.92 2hfq n ARG 27 Ca 0.20 -2.32 -0.27 0.00 -0.00 0.00 0.00 57.85 55.46 2hfq n ARG 27 Cb 0.41 -1.91 -0.04 0.00 -0.00 0.00 0.00 32.46 30.92 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hfq s ASP 28 N -0.74 5.99 -0.14 2.89 2.15 -1.26 -5.05 116.67 120.50 2hfq s ASP 28 Ca 0.45 0.05 -0.20 0.00 0.43 0.00 0.00 52.55 53.29 2hfq s ASP 28 Cb 0.36 -1.71 -0.24 0.00 -0.30 0.00 0.00 42.92 41.03 2hfq s ASP 28 CO 0.02 0.07 0.48 -0.78 -0.17 0.00 0.00 175.17 174.79 2hfq h ASP 29 N 2.37 0.19 -0.28 -0.34 1.82 -2.01 -3.31 116.42 114.87 2hfq h ASP 29 Ca -0.48 -0.77 -0.19 0.00 -0.39 0.00 0.00 57.03 55.21 2hfq h ASP 29 Cb 1.19 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2hfq h ASP 29 CO 0.67 1.48 -0.55 0.50 -1.61 0.00 0.00 179.24 179.73 2hfq h LYS 30 N -0.64 0.87 -1.01 0.28 3.64 -2.00 -2.90 116.57 114.82 2hfq h LYS 30 Ca -0.27 -0.55 0.01 0.00 -1.27 0.00 0.00 60.65 58.57 2hfq h LYS 30 Cb 1.49 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.32 2hfq h LYS 30 CO -0.04 1.19 0.67 0.87 -2.27 0.00 0.00 179.45 179.87 2hfq h LYS 31 N 0.67 1.32 -0.26 1.90 1.79 -1.98 -0.38 116.57 119.63 2hfq h LYS 31 Ca 0.01 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2hfq h LYS 31 Cb 1.16 -0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 2hfq h LYS 31 CO 0.12 0.87 0.15 0.00 -1.08 0.00 0.00 179.45 179.51 2hfq h ALA 32 N 1.38 0.32 -0.66 3.86 0.00 -1.61 0.23 119.26 122.78 2hfq h ALA 32 Ca 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2hfq h ALA 32 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2hfq h ALA 32 CO -0.09 -0.23 0.25 0.82 0.00 0.00 0.00 179.25 180.00 2hfq h ILE 33 N 0.31 1.23 -0.37 0.00 2.04 -1.28 -1.09 117.51 118.35 2hfq h ILE 33 Ca 0.10 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2hfq h ILE 33 Cb -0.01 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2hfq h ILE 33 CO -0.04 0.29 0.10 -0.08 0.00 0.00 0.00 178.15 178.42 2hfq h GLU 34 N 0.95 0.59 -0.51 2.37 4.81 -0.42 -2.55 114.58 119.82 2hfq h GLU 34 Ca 0.22 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2hfq h GLU 34 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2hfq h GLU 34 CO -0.02 0.62 0.07 0.74 -0.73 0.00 0.00 179.01 179.69 2hfq h PHE 35 N 0.45 0.84 -0.90 0.92 0.04 -0.14 0.27 116.94 118.44 2hfq h PHE 35 Ca 0.12 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2hfq h PHE 35 Cb 0.28 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 2hfq h PHE 35 CO 0.01 0.74 0.59 0.00 -0.60 0.00 0.00 178.31 179.06 2hfq h ALA 36 N 1.31 1.14 0.00 2.45 0.00 -1.08 -1.89 119.26 121.18 2hfq h ALA 36 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2hfq h ALA 36 Cb 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hfq h ALA 36 CO 0.01 0.54 -0.46 0.87 0.00 0.00 0.00 179.25 180.21 2hfq h LYS 37 N 1.22 0.00 -0.51 0.00 1.57 -0.91 -2.57 116.57 115.36 2hfq h LYS 37 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2hfq h LYS 37 Cb -0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2hfq h LYS 37 CO -0.07 0.46 0.33 1.96 -0.57 0.00 0.00 179.45 181.56 2hfq h GLN 38 N 0.00 0.68 -0.48 3.15 1.08 -0.20 0.77 115.11 120.11 2hfq h GLN 38 Ca -0.00 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2hfq h GLN 38 Cb 1.04 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2hfq h GLN 38 CO 0.06 0.46 -0.05 2.35 -0.95 0.00 0.00 178.83 180.69 2hfq h TRP 39 N 0.69 0.91 -0.65 2.96 7.01 -1.26 -0.72 115.95 124.89 2hfq h TRP 39 Ca 0.19 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 2hfq h TRP 39 Cb -0.06 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 2hfq h TRP 39 CO -0.04 0.86 0.26 -0.07 -2.79 0.00 0.00 178.44 176.67 2hfq h LEU 40 N 0.77 0.87 -0.77 0.65 3.38 -1.04 -1.38 115.31 117.80 2hfq h LEU 40 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2hfq h LEU 40 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2hfq h LEU 40 CO 0.03 0.78 -0.05 -1.28 0.09 0.00 0.00 178.44 178.01 2hfq h SER 41 N 0.94 0.87 -0.45 -0.43 0.87 0.04 0.27 113.55 115.65 2hfq h SER 41 Ca 0.22 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2hfq h SER 41 Cb 0.17 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2hfq h SER 41 CO -0.02 0.96 0.30 -1.28 -0.53 0.00 0.00 176.83 176.26 2hfq h SER 42 N 0.81 0.52 1.10 6.23 0.87 -0.24 -2.18 113.55 120.67 2hfq h SER 42 Ca 0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2hfq h SER 42 Cb 0.55 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2hfq h SER 42 CO 0.03 0.37 0.00 2.30 -0.53 0.00 0.00 176.83 179.01 2hfq n ILE 43 N -4.77 0.26 0.00 2.23 -5.35 -0.61 -4.90 119.36 106.22 2hfq n ILE 43 Ca 0.02 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2hfq n ILE 43 Cb 0.02 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 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 1.32 1.06 0.58 3.28 0.00 -0.73 -4.95 105.19 105.74 2hfq n GLY 44 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2hfq n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hfq n GLU 45 N -1.78 1.53 0.00 1.61 -0.58 0.85 -4.98 120.64 117.30 2hfq n GLU 45 Ca 0.00 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 2hfq n GLU 45 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2hfq n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2hfq n GLU 46 N 0.29 0.00 0.00 3.49 1.02 -0.63 -4.27 120.64 120.54 2hfq n GLU 46 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2hfq n GLU 46 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 0.00 -0.88 1.93 0.62 0.00 -1.26 -1.70 105.19 103.90 2hfq n GLY 47 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 46.02 46.76 2hfq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfq n ALA 48 N 0.00 -1.86 -2.12 4.61 0.00 -1.26 -4.85 120.51 115.02 2hfq n ALA 48 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 2hfq n ALA 48 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 2hfq n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hfq s THR 49 N -2.10 3.53 -0.40 0.00 2.01 -1.26 -4.91 115.64 112.51 2hfq s THR 49 Ca 0.39 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 2hfq s THR 49 Cb -0.04 -4.20 0.04 0.00 0.01 0.00 0.00 72.50 68.31 2hfq s THR 49 CO 0.30 -1.10 0.24 -0.69 -0.69 0.00 0.00 174.62 172.69 2hfq s VAL 50 N 9.40 4.63 0.14 3.82 1.01 -1.26 -4.89 120.40 133.25 2hfq s VAL 50 Ca 0.67 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2hfq s VAL 50 Cb -0.05 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2hfq s VAL 50 CO -0.01 -0.33 0.14 0.35 0.00 0.00 0.00 175.10 175.25 2hfq n THR 51 N 5.02 0.00 1.12 3.92 -2.24 -1.26 -4.91 114.28 115.93 2hfq n THR 51 Ca -0.11 -0.54 0.14 0.00 -2.27 0.00 0.00 64.05 61.26 2hfq n THR 51 Cb 0.45 -0.55 0.55 0.00 -2.10 0.00 0.00 70.33 68.69 2hfq n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hfq n SER 52 N -2.25 0.20 0.07 3.42 2.88 -1.26 -0.11 113.62 116.57 2hfq n SER 52 Ca 0.01 0.05 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 2hfq n SER 52 Cb 0.16 -0.22 -0.15 0.00 -0.75 0.00 0.00 64.21 63.25 2hfq n SER 52 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hfq h GLU 53 N 0.11 0.39 -0.02 -1.46 4.57 -1.99 -3.35 114.58 112.82 2hfq h GLU 53 Ca 0.00 -0.67 -0.09 0.00 -1.18 0.00 0.00 59.36 57.43 2hfq h GLU 53 Cb 0.45 0.25 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2hfq h GLU 53 CO 0.00 1.32 -0.32 0.93 -1.18 0.00 0.00 179.01 179.76 2hfq h GLU 54 N 0.11 0.25 -4.50 1.92 4.39 -1.87 -3.39 114.58 111.49 2hfq h GLU 54 Ca -0.35 -0.25 -0.73 0.00 0.34 0.00 0.00 59.36 58.38 2hfq h GLU 54 Cb 2.10 0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 30.60 2hfq h GLU 54 CO 0.18 0.94 0.22 0.00 -1.16 0.00 0.00 179.01 179.18 2hfq s ARG 56 N 1.99 3.91 -0.48 0.00 3.52 0.10 -4.37 118.95 123.62 2hfq s ARG 56 Ca 0.16 0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 2hfq s ARG 56 Cb -0.18 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2hfq s ARG 56 CO -0.01 0.52 0.65 0.12 -0.81 0.00 0.00 175.30 175.78 2hfq s PHE 57 N -0.37 3.03 -0.04 5.12 5.36 -1.26 -0.59 117.98 129.23 2hfq s PHE 57 Ca 0.16 -0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 2hfq s PHE 57 Cb -0.13 -3.50 -0.00 0.00 -0.34 0.00 0.00 43.02 39.05 2hfq s PHE 57 CO 0.05 -1.00 0.06 0.00 -1.46 0.00 0.00 175.22 172.87 2hfq n HIS 59 N -3.24 -1.47 -3.96 0.00 1.44 -1.26 -5.03 115.22 101.70 2hfq n HIS 59 Ca -0.00 -1.21 -0.34 0.00 -2.01 0.00 0.00 57.72 54.16 2hfq n HIS 59 Cb 0.01 0.59 -0.14 0.00 0.12 0.00 0.00 29.99 30.57 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 -3.00 4.47 0.37 4.39 0.01 -1.26 -0.50 113.70 118.18 2hfq s SER 60 Ca 0.18 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2hfq s SER 60 Cb -0.03 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.54 2hfq s SER 60 CO 0.06 -0.17 0.03 -1.84 0.41 0.00 0.00 173.24 171.73 2hfq n GLU 61 N 4.63 1.08 -2.25 12.44 0.28 -0.62 -4.79 120.64 131.40 2hfq n GLU 61 Ca -0.15 -2.68 -0.39 0.00 -0.16 0.00 0.00 57.16 53.77 2hfq n GLU 61 Cb 0.45 0.67 -0.02 0.00 1.43 0.00 0.00 31.44 33.97 2hfq n GLU 61 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2hfq s LYS 62 N -3.37 4.22 -0.27 3.44 3.01 -1.26 -1.31 119.74 124.21 2hfq s LYS 62 Ca 0.02 1.96 -0.05 0.00 -1.01 0.00 0.00 55.97 56.89 2hfq s LYS 62 Cb -0.00 -2.87 0.01 0.00 -1.01 0.00 0.00 37.83 33.95 2hfq s LYS 62 CO 0.02 -0.21 0.02 0.00 0.51 0.00 0.00 175.35 175.69 2hfq s ALA 63 N -1.29 2.94 0.65 5.17 0.00 -1.12 -4.79 121.76 123.33 2hfq s ALA 63 Ca 0.53 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 2hfq s ALA 63 Cb -0.34 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2hfq s ALA 63 CO 0.44 -0.77 1.06 -2.14 0.00 0.00 0.00 175.76 174.35 2hfq s PRO 64 N 1.47 3.07 0.61 0.00 0.02 -1.26 -4.85 135.00 134.05 2hfq s PRO 64 Ca 0.03 1.09 0.30 0.00 0.02 0.00 0.00 61.00 62.44 2hfq s PRO 64 Cb -0.16 -2.00 1.65 0.00 0.02 0.00 0.00 34.50 34.00 2hfq s PRO 64 CO -0.00 -1.00 2.03 0.22 -0.33 0.00 0.00 177.00 177.91 2hfq h ASP 65 N -0.20 0.00 -0.59 2.53 3.58 -1.99 -1.27 116.42 118.49 2hfq h ASP 65 Ca -0.45 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.12 2hfq h ASP 65 Cb 1.22 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.16 2hfq h ASP 65 CO 0.57 0.00 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.53 2hfq h GLU 66 N 0.00 0.06 0.00 0.28 4.39 -2.02 -2.34 114.58 114.94 2hfq h GLU 66 Ca 0.10 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2hfq h GLU 66 Cb 0.69 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2hfq h GLU 66 CO -0.00 0.04 -1.47 1.33 -1.16 0.00 0.00 179.01 177.75 2hfq n VAL 67 N -5.33 0.55 0.26 3.13 0.24 -0.52 -4.25 118.33 112.41 2hfq n VAL 67 Ca 0.08 -0.57 -0.18 0.00 -2.04 0.00 0.00 64.34 61.62 2hfq n VAL 67 Cb 0.33 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.30 2hfq n VAL 67 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2hfq h ILE 68 N 0.00 0.01 -0.14 1.34 1.08 -0.97 0.53 117.51 119.36 2hfq h ILE 68 Ca -0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2hfq h ILE 68 Cb 1.16 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2hfq h ILE 68 CO 0.01 0.00 0.10 -0.33 -0.69 0.00 0.00 178.15 177.23 2hfq h GLU 69 N -0.97 0.12 0.13 2.37 4.39 -1.72 -1.22 114.58 117.68 2hfq h GLU 69 Ca -0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2hfq h GLU 69 Cb 0.86 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2hfq h GLU 69 CO -0.11 0.08 -0.06 0.00 -1.16 0.00 0.00 179.01 177.76 2hfq h ALA 70 N 1.92 -0.18 -0.19 3.43 0.00 -1.59 -2.77 119.26 119.88 2hfq h ALA 70 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2hfq h ALA 70 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hfq h ALA 70 CO -0.01 -0.27 -0.24 0.82 0.00 0.00 0.00 179.25 179.55 2hfq h ILE 71 N -0.84 1.25 0.00 0.00 2.04 -0.71 -0.82 117.51 118.42 2hfq h ILE 71 Ca -0.02 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 2hfq h ILE 71 Cb 0.54 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2hfq h ILE 71 CO 0.03 0.36 -0.29 0.11 0.00 0.00 0.00 178.15 178.37 2hfq h LYS 72 N 0.31 0.00 0.00 2.37 1.57 -1.32 -0.80 116.57 118.71 2hfq h LYS 72 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2hfq h LYS 72 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2hfq h LYS 72 CO 0.04 0.29 -0.36 0.37 -0.57 0.00 0.00 179.45 179.22 2hfq h GLN 73 N 0.00 0.00 0.04 3.15 4.15 -1.05 -3.43 115.11 117.97 2hfq h GLN 73 Ca -0.00 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.03 2hfq h GLN 73 Cb 0.82 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 2hfq h GLN 73 CO 0.04 0.24 -2.34 0.27 -1.93 0.00 0.00 178.83 175.10 2hfq n ASN 74 N -4.65 2.02 0.00 -0.69 0.23 -0.39 -5.03 115.26 106.75 2hfq n ASN 74 Ca -0.08 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2hfq n ASN 74 Cb 0.24 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 2hfq n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hfq n GLY 75 N 2.16 1.62 3.37 4.83 0.00 -0.30 -5.05 105.19 111.81 2hfq n GLY 75 Ca -0.42 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.16 0.69 -0.10 1.61 -0.85 -1.26 -4.44 117.35 112.85 2hfq s TYR 76 Ca 0.00 -1.00 -0.01 0.00 -0.52 0.00 0.00 57.07 55.54 2hfq s TYR 76 Cb 0.00 -0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.19 2hfq s TYR 76 CO 0.00 -0.78 -0.04 0.12 -1.52 0.00 0.00 175.55 173.33 2hfq s PHE 77 N -4.06 1.15 -0.55 -3.49 5.36 -0.33 -4.31 117.98 111.75 2hfq s PHE 77 Ca 0.27 -0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 55.55 2hfq s PHE 77 Cb 0.03 -1.06 0.08 0.00 -0.34 0.00 0.00 43.02 41.74 2hfq s PHE 77 CO 0.08 -0.44 0.65 0.42 -1.46 0.00 0.00 175.22 174.47 2hfq s ILE 78 N 1.82 4.87 -0.40 3.12 -1.09 -1.26 -0.70 121.20 127.55 2hfq s ILE 78 Ca 0.05 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.44 2hfq s ILE 78 Cb -0.12 -4.38 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 2hfq s ILE 78 CO -0.07 -0.95 0.90 -0.47 -1.23 0.00 0.00 174.94 173.13 2hfq s TYR 79 N 2.59 3.02 -0.67 3.97 5.04 0.07 -4.93 117.35 126.44 2hfq s TYR 79 Ca 0.13 0.58 -0.26 0.00 -2.44 0.00 0.00 57.07 55.08 2hfq s TYR 79 Cb -0.22 -3.73 -0.02 0.00 0.35 0.00 0.00 41.96 38.35 2hfq s TYR 79 CO 0.09 -0.91 1.78 0.15 -1.34 0.00 0.00 175.55 175.32 2hfq s LYS 80 N 3.52 2.71 0.08 4.97 -0.14 -1.26 -2.00 119.74 127.61 2hfq s LYS 80 Ca 0.36 0.38 -0.32 0.00 -1.36 0.00 0.00 55.97 55.03 2hfq s LYS 80 Cb -0.11 -4.44 -0.17 0.00 -1.68 0.00 0.00 37.83 31.42 2hfq s LYS 80 CO 0.21 -2.71 1.62 1.98 -0.76 0.00 0.00 175.35 175.69 2hfq h MET 81 N 13.86 -0.82 0.00 1.68 1.85 -1.94 -3.47 114.93 126.09 2hfq h MET 81 Ca -0.22 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 2hfq h MET 81 Cb 1.13 0.19 0.00 0.00 0.43 0.00 0.00 31.60 33.34 2hfq h MET 81 CO 1.23 -0.54 0.00 -1.91 -0.40 0.00 0.00 176.91 175.29 2hfq n GLU 82 N -5.48 0.00 -1.54 0.39 0.00 -1.26 -5.11 120.64 107.64 2hfq n GLU 82 Ca -0.12 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 56.57 2hfq n GLU 82 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.76 2hfq n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hfq n GLY 83 N -1.12 0.84 2.01 8.31 0.00 -1.26 -4.61 105.19 109.35 2hfq n GLY 83 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32