#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 3.89 0.02 2.12 0.00 -1.26 -4.33 119.66 120.10 2hfq s GLN 2 Ca 0.00 -0.31 -0.30 0.00 -0.00 0.00 0.00 55.36 54.74 2hfq s GLN 2 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 33.01 29.29 2hfq s GLN 2 CO 0.00 -0.24 1.03 0.96 0.00 0.00 0.00 175.29 177.04 2hfq s ILE 3 N 1.81 4.64 -0.52 3.63 -4.36 -1.21 -4.69 121.20 120.51 2hfq s ILE 3 Ca 0.08 1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 62.12 2hfq s ILE 3 Cb -0.16 -4.23 0.03 0.00 1.25 0.00 0.00 42.46 39.35 2hfq s ILE 3 CO 0.11 0.16 1.08 -1.00 0.24 0.00 0.00 174.94 175.53 2hfq s HIS 4 N 0.93 2.77 -0.38 1.37 3.76 0.14 -3.40 115.29 120.48 2hfq s HIS 4 Ca 0.53 0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 55.72 2hfq s HIS 4 Cb -0.23 -4.30 0.00 0.00 1.11 0.00 0.00 32.58 29.16 2hfq s HIS 4 CO 0.29 -1.35 0.36 0.08 -0.85 0.00 0.00 174.74 173.27 2hfq s VAL 5 N 4.38 5.17 -0.85 -0.90 1.01 -1.13 -2.57 120.40 125.51 2hfq s VAL 5 Ca 0.41 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 2hfq s VAL 5 Cb -0.09 -3.90 0.22 0.00 0.00 0.00 0.00 36.38 32.61 2hfq s VAL 5 CO 0.27 -0.23 0.78 -0.31 0.00 0.00 0.00 175.10 175.60 2hfq s TYR 6 N 1.96 3.80 -0.66 5.22 1.51 -0.64 -2.14 117.35 126.40 2hfq s TYR 6 Ca 0.10 -2.21 -0.26 0.00 -1.01 0.00 0.00 57.07 53.68 2hfq s TYR 6 Cb -0.17 -3.73 -0.01 0.00 -0.11 0.00 0.00 41.96 37.93 2hfq s TYR 6 CO 0.12 -0.96 1.74 0.34 -1.11 0.00 0.00 175.55 175.68 2hfq s ASP 7 N 1.79 5.46 -0.37 2.29 2.15 -1.13 -2.38 116.67 124.49 2hfq s ASP 7 Ca 0.20 0.11 -0.23 0.00 0.43 0.00 0.00 52.55 53.06 2hfq s ASP 7 Cb -0.11 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2hfq s ASP 7 CO -0.08 -2.28 0.76 -0.89 -0.17 0.00 0.00 175.17 172.51 2hfq s THR 8 N 8.40 4.76 -1.05 1.71 2.01 -0.52 -4.16 115.64 126.79 2hfq s THR 8 Ca 0.61 0.81 -0.20 0.00 0.31 0.00 0.00 61.69 63.22 2hfq s THR 8 Cb -0.11 -4.19 0.10 0.00 0.01 0.00 0.00 72.50 68.30 2hfq s THR 8 CO 0.18 -0.42 1.38 -0.31 -0.69 0.00 0.00 174.62 174.76 2hfq s TYR 9 N 3.04 2.89 -0.49 4.92 2.02 0.02 -2.86 117.35 126.88 2hfq s TYR 9 Ca 0.30 -1.31 -0.21 0.00 -0.37 0.00 0.00 57.07 55.48 2hfq s TYR 9 Cb -0.13 -4.52 0.04 0.00 -0.40 0.00 0.00 41.96 36.95 2hfq s TYR 9 CO 0.17 -1.70 0.74 0.08 -1.57 0.00 0.00 175.55 173.26 2hfq s VAL 10 N 3.66 4.70 -0.61 0.71 1.01 -0.17 -4.79 120.40 124.90 2hfq s VAL 10 Ca 0.42 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 2hfq s VAL 10 Cb -0.01 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 2hfq s VAL 10 CO -0.06 -0.82 1.62 -0.54 0.00 0.00 0.00 175.10 175.30 2hfq s LYS 11 N 3.12 2.95 1.00 2.72 1.02 -1.26 0.32 119.74 129.61 2hfq s LYS 11 Ca 0.23 0.43 -0.12 0.00 0.02 0.00 0.00 55.97 56.53 2hfq s LYS 11 Cb -0.15 -4.27 0.19 0.00 -0.52 0.00 0.00 37.83 33.08 2hfq s LYS 11 CO 0.17 -2.37 1.08 0.00 -0.92 0.00 0.00 175.35 173.31 2hfq s ALA 12 N 7.50 0.81 0.45 5.17 0.00 -0.50 -4.73 121.76 130.46 2hfq s ALA 12 Ca 0.57 -0.14 0.15 0.00 0.00 0.00 0.00 51.96 52.54 2hfq s ALA 12 Cb -0.12 -3.20 1.07 0.00 0.00 0.00 0.00 23.12 20.88 2hfq s ALA 12 CO 0.21 -2.94 2.00 1.57 0.00 0.00 0.00 175.76 176.60 2hfq h LYS 13 N -1.97 0.34 0.00 0.00 2.10 -1.87 0.13 116.57 115.29 2hfq h LYS 13 Ca -0.54 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.07 2hfq h LYS 13 Cb 1.31 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2hfq h LYS 13 CO 0.54 0.23 -0.12 -0.44 -2.00 0.00 0.00 179.45 177.65 2hfq h ASP 14 N 0.35 0.00 0.00 7.07 5.19 -2.01 -3.46 116.42 123.56 2hfq h ASP 14 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2hfq h ASP 14 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2hfq h ASP 14 CO -0.06 0.12 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2hfq n GLY 15 N -0.31 0.49 3.88 2.75 0.00 0.44 -5.09 105.19 107.37 2hfq n GLY 15 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2hfq n GLY 15 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfq s HIS 16 N -2.00 3.44 -0.52 1.61 -3.43 -1.26 -4.79 115.29 108.34 2hfq s HIS 16 Ca 0.00 0.79 -0.27 0.00 -0.80 0.00 0.00 55.06 54.78 2hfq s HIS 16 Cb 0.00 -2.20 0.03 0.00 -1.43 0.00 0.00 32.58 28.98 2hfq s HIS 16 CO 0.00 0.26 1.08 0.08 -2.00 0.00 0.00 174.74 174.16 2hfq s VAL 17 N -1.86 4.23 -0.85 -5.38 1.01 -1.26 -1.41 120.40 114.87 2hfq s VAL 17 Ca 0.46 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 2hfq s VAL 17 Cb -0.11 -4.60 0.18 0.00 0.00 0.00 0.00 36.38 31.85 2hfq s VAL 17 CO 0.23 -1.10 0.89 -0.04 0.00 0.00 0.00 175.10 175.08 2hfq s MET 18 N 4.39 3.58 0.10 2.72 -1.94 0.15 -4.92 119.30 123.38 2hfq s MET 18 Ca 0.41 -2.17 0.06 0.00 -1.71 0.00 0.00 55.69 52.28 2hfq s MET 18 Cb -0.09 -4.59 -0.04 0.00 2.01 0.00 0.00 34.83 32.13 2hfq s MET 18 CO 0.27 -1.47 -0.04 -3.38 -0.01 0.00 0.00 175.02 170.39 2hfq s HIS 19 N 1.14 2.89 0.10 -0.03 -3.43 -1.25 -1.00 115.29 113.70 2hfq s HIS 19 Ca 0.23 -0.08 -0.19 0.00 -0.80 0.00 0.00 55.06 54.22 2hfq s HIS 19 Cb -0.09 -1.49 0.05 0.00 -1.43 0.00 0.00 32.58 29.61 2hfq s HIS 19 CO -0.08 0.46 0.47 -0.59 -2.00 0.00 0.00 174.74 172.99 2hfq s PHE 20 N -1.29 -0.32 -0.45 0.38 -0.12 -1.14 -4.06 117.98 110.98 2hfq s PHE 20 Ca 0.24 0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 57.10 2hfq s PHE 20 Cb -0.11 0.32 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2hfq s PHE 20 CO 0.17 -0.69 0.51 -0.51 -0.05 0.00 0.00 175.22 174.64 2hfq s ASP 21 N -2.46 6.21 -0.64 1.98 1.11 0.92 -1.43 116.67 122.36 2hfq s ASP 21 Ca -0.01 -0.80 -0.27 0.00 0.18 0.00 0.00 52.55 51.65 2hfq s ASP 21 Cb 0.00 -2.25 0.03 0.00 1.07 0.00 0.00 42.92 41.78 2hfq s ASP 21 CO -0.08 -0.70 1.18 -0.69 1.18 0.00 0.00 175.17 176.06 2hfq s VAL 22 N 2.28 3.97 -0.29 -1.27 1.01 -1.00 -1.23 120.40 123.87 2hfq s VAL 22 Ca 0.13 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 2hfq s VAL 22 Cb -0.18 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.40 2hfq s VAL 22 CO 0.13 -1.51 0.57 -0.36 0.00 0.00 0.00 175.10 173.92 2hfq s PHE 23 N 5.08 3.24 -0.09 5.22 0.08 0.39 -1.63 117.98 130.28 2hfq s PHE 23 Ca 0.37 0.58 -0.11 0.00 0.12 0.00 0.00 56.93 57.89 2hfq s PHE 23 Cb -0.09 -2.86 0.03 0.00 -0.57 0.00 0.00 43.02 39.54 2hfq s PHE 23 CO 0.20 -0.39 0.30 -0.08 -0.10 0.00 0.00 175.22 175.16 2hfq s THR 24 N 2.45 0.01 -0.53 0.64 -1.32 -1.06 -0.50 115.64 115.34 2hfq s THR 24 Ca 0.23 -0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.83 2hfq s THR 24 Cb -0.15 -0.47 0.06 0.00 -1.51 0.00 0.00 72.50 70.43 2hfq s THR 24 CO 0.10 -0.07 1.28 -0.78 -2.21 0.00 0.00 174.62 172.95 2hfq h ASP 25 N 5.26 0.00 -3.86 8.08 3.58 -1.83 0.40 116.42 128.04 2hfq h ASP 25 Ca -0.27 -0.14 -0.52 0.00 0.42 0.00 0.00 57.03 56.51 2hfq h ASP 25 Cb 1.19 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.31 2hfq h ASP 25 CO 0.33 0.07 0.66 -0.69 -2.88 0.00 0.00 179.24 176.73 2hfq s VAL 26 N -3.22 2.64 -0.91 2.25 1.01 -1.26 -4.81 120.40 116.09 2hfq s VAL 26 Ca 0.05 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 2hfq s VAL 26 Cb 0.12 -3.41 0.21 0.00 0.00 0.00 0.00 36.38 33.30 2hfq s VAL 26 CO 0.73 0.15 0.92 -0.60 0.00 0.00 0.00 175.10 176.31 2hfq s ARG 27 N -1.75 3.73 -0.30 2.72 3.52 -1.26 -4.85 118.95 120.76 2hfq s ARG 27 Ca 0.50 -2.46 -0.01 0.00 -0.13 0.00 0.00 55.73 53.63 2hfq s ARG 27 Cb -0.41 -4.57 0.19 0.00 -1.56 0.00 0.00 34.95 28.60 2hfq s ARG 27 CO 0.54 -1.40 0.69 0.34 -0.81 0.00 0.00 175.30 174.66 2hfq s ASP 28 N 2.33 -1.28 0.22 -2.12 -1.08 -1.26 -5.04 116.67 108.43 2hfq s ASP 28 Ca 0.24 0.49 -0.07 0.00 -0.52 0.00 0.00 52.55 52.70 2hfq s ASP 28 Cb -0.09 1.95 0.17 0.00 -1.46 0.00 0.00 42.92 43.50 2hfq s ASP 28 CO -0.08 -0.24 1.74 -2.24 0.52 0.00 0.00 175.17 174.87 2hfq h ASP 29 N 7.94 1.03 0.26 -0.34 2.03 -2.00 -2.01 116.42 123.33 2hfq h ASP 29 Ca -0.13 -0.21 -0.13 0.00 -0.73 0.00 0.00 57.03 55.83 2hfq h ASP 29 Cb 1.17 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.39 2hfq h ASP 29 CO 0.15 0.99 -0.52 0.50 -1.03 0.00 0.00 179.24 179.33 2hfq h LYS 30 N 1.04 0.29 -0.40 4.15 3.64 -1.99 -1.95 116.57 121.35 2hfq h LYS 30 Ca 0.22 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 2hfq h LYS 30 Cb 0.35 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2hfq h LYS 30 CO 0.00 0.74 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.39 2hfq h LYS 31 N 0.23 0.90 -0.50 1.90 3.64 -1.90 0.12 116.57 120.95 2hfq h LYS 31 Ca 0.01 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2hfq h LYS 31 Cb 0.99 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2hfq h LYS 31 CO 0.08 1.08 0.23 0.00 -2.27 0.00 0.00 179.45 178.57 2hfq h ALA 32 N 0.88 0.65 -0.77 5.00 0.00 -1.17 -0.46 119.26 123.39 2hfq h ALA 32 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2hfq h ALA 32 Cb 0.89 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2hfq h ALA 32 CO 0.08 0.23 0.49 0.82 0.00 0.00 0.00 179.25 180.88 2hfq h ILE 33 N 0.67 1.12 -0.25 0.00 2.04 -1.14 -0.94 117.51 119.02 2hfq h ILE 33 Ca 0.17 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2hfq h ILE 33 Cb 0.15 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2hfq h ILE 33 CO -0.02 0.18 -0.02 -0.08 0.00 0.00 0.00 178.15 178.21 2hfq h GLU 34 N 0.97 0.05 -0.47 2.37 4.57 -0.15 -2.15 114.58 119.78 2hfq h GLU 34 Ca 0.31 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 2hfq h GLU 34 Cb -0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2hfq h GLU 34 CO -0.11 0.04 0.22 0.74 -1.18 0.00 0.00 179.01 178.72 2hfq h PHE 35 N 0.06 0.69 -0.82 0.92 0.04 -0.64 -2.79 116.94 114.39 2hfq h PHE 35 Ca 0.12 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.91 2hfq h PHE 35 Cb 0.16 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 2hfq h PHE 35 CO -0.21 0.56 0.51 0.00 -0.60 0.00 0.00 178.31 178.56 2hfq h ALA 36 N 1.06 1.12 -0.23 2.45 0.00 -0.88 -0.97 119.26 121.81 2hfq h ALA 36 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2hfq h ALA 36 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2hfq h ALA 36 CO -0.02 0.25 -0.11 0.87 0.00 0.00 0.00 179.25 180.25 2hfq h LYS 37 N 0.94 0.37 0.00 0.00 1.57 -1.20 -1.42 116.57 116.83 2hfq h LYS 37 Ca 0.35 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 2hfq h LYS 37 Cb 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2hfq h LYS 37 CO -0.16 0.48 -0.60 1.96 -0.57 0.00 0.00 179.45 180.56 2hfq h GLN 38 N 0.35 0.00 0.02 3.15 4.20 -0.94 -2.13 115.11 119.76 2hfq h GLN 38 Ca 0.07 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 2hfq h GLN 38 Cb 0.41 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.20 2hfq h GLN 38 CO 0.02 0.60 -0.69 2.35 -0.67 0.00 0.00 178.83 180.44 2hfq h TRP 39 N 0.00 0.65 -0.29 2.96 7.01 -0.86 -2.94 115.95 122.48 2hfq h TRP 39 Ca -0.01 -0.37 -0.04 0.00 2.11 0.00 0.00 58.89 60.58 2hfq h TRP 39 Cb 1.07 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.05 2hfq h TRP 39 CO 0.00 1.21 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.79 2hfq h LEU 40 N -0.09 0.40 -0.60 0.65 3.38 -1.20 -1.05 115.31 116.81 2hfq h LEU 40 Ca -0.09 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2hfq h LEU 40 Cb 1.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2hfq h LEU 40 CO 0.14 0.47 -0.69 0.77 0.09 0.00 0.00 178.44 179.22 2hfq h SER 41 N 0.42 0.00 0.26 -0.43 4.64 -1.46 0.09 113.55 117.06 2hfq h SER 41 Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.20 2hfq h SER 41 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2hfq h SER 41 CO 0.01 0.69 -0.87 0.28 -0.87 0.00 0.00 176.83 176.06 2hfq h SER 42 N 0.00 0.57 1.69 4.97 0.02 -1.09 -3.13 113.55 116.58 2hfq h SER 42 Ca -0.01 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2hfq h SER 42 Cb 1.23 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2hfq h SER 42 CO 0.09 1.21 -0.06 0.16 -1.14 0.00 0.00 176.83 177.08 2hfq h ILE 43 N 0.28 0.00 -0.06 3.27 3.07 -1.24 -3.48 117.51 119.36 2hfq h ILE 43 Ca -0.07 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.59 2hfq h ILE 43 Cb 1.49 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 2hfq h ILE 43 CO 0.15 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.86 2hfq n GLY 44 N 1.20 1.49 0.00 0.16 0.00 -0.95 -5.05 105.19 102.03 2hfq n GLY 44 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.72 0.00 -0.64 1.61 -0.58 -0.02 -4.95 120.64 115.34 2hfq n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2hfq n GLU 45 Cb 0.09 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 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 -1.54 -0.02 -1.40 3.49 1.02 -1.19 -4.83 120.64 116.17 2hfq n GLU 46 Ca 0.00 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2hfq n GLU 46 Cb 0.00 -3.95 -0.00 0.00 -0.02 0.00 0.00 31.44 27.46 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 -1.97 4.65 3.28 0.62 0.00 -1.26 -4.82 105.19 105.69 2hfq n GLY 47 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.36 -1.08 -1.06 4.61 0.00 -1.26 -4.79 121.76 115.82 2hfq s ALA 48 Ca 0.52 1.55 -0.22 0.00 0.00 0.00 0.00 51.96 53.81 2hfq s ALA 48 Cb 0.37 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.55 2hfq s ALA 48 CO -0.18 -0.34 1.47 0.99 0.00 0.00 0.00 175.76 177.71 2hfq s THR 49 N 1.58 3.99 -0.64 0.00 2.01 -1.26 -4.93 115.64 116.40 2hfq s THR 49 Ca -0.08 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 60.68 2hfq s THR 49 Cb -0.09 -5.06 -0.02 0.00 0.01 0.00 0.00 72.50 67.34 2hfq s THR 49 CO -0.13 -1.93 1.83 -0.69 -0.69 0.00 0.00 174.62 173.01 2hfq s VAL 50 N 4.74 3.38 0.00 3.82 1.01 -1.26 -4.61 120.40 127.49 2hfq s VAL 50 Ca 0.46 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2hfq s VAL 50 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2hfq s VAL 50 CO -0.07 -0.98 0.00 0.35 0.00 0.00 0.00 175.10 174.40 2hfq n THR 51 N 7.19 0.00 0.77 3.92 -2.24 -1.26 -4.96 114.28 117.71 2hfq n THR 51 Ca 0.20 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 2hfq n THR 51 Cb 0.52 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.09 2hfq n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hfq n SER 52 N -2.59 0.00 -0.08 3.42 7.64 -1.25 -0.20 113.62 120.56 2hfq n SER 52 Ca 0.00 -0.41 -0.15 0.00 1.01 0.00 0.00 58.87 59.31 2hfq n SER 52 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2hfq n SER 52 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2hfq h GLU 53 N 0.00 0.00 0.02 1.43 4.39 -1.94 -3.40 114.58 115.07 2hfq h GLU 53 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2hfq h GLU 53 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2hfq h GLU 53 CO 0.00 0.96 -2.02 0.39 -1.16 0.00 0.00 179.01 177.17 2hfq n GLU 54 N -4.57 0.67 -3.56 2.33 1.02 -1.01 -4.78 120.64 110.75 2hfq n GLU 54 Ca -0.15 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2hfq n GLU 54 Cb 0.51 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2hfq n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hfq s ARG 56 N 1.52 1.32 -0.71 0.00 0.52 -1.26 -3.95 118.95 116.38 2hfq s ARG 56 Ca 0.03 -1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 2hfq s ARG 56 Cb -0.22 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.58 2hfq s ARG 56 CO 0.05 -0.03 1.11 0.12 0.02 0.00 0.00 175.30 176.57 2hfq s PHE 57 N -3.31 2.53 -0.12 -0.53 5.36 -1.26 -2.82 117.98 117.83 2hfq s PHE 57 Ca 0.26 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 55.68 2hfq s PHE 57 Cb 0.04 -4.44 -0.26 0.00 -0.34 0.00 0.00 43.02 38.02 2hfq s PHE 57 CO 0.08 -1.82 0.50 0.00 -1.46 0.00 0.00 175.22 172.51 2hfq s HIS 59 N -2.47 -0.02 -0.25 0.00 0.00 -1.24 -5.08 115.29 106.22 2hfq s HIS 59 Ca -0.21 -0.33 -0.05 0.00 -3.00 0.00 0.00 55.06 51.47 2hfq s HIS 59 Cb 0.05 0.31 -0.01 0.00 -4.00 0.00 0.00 32.58 28.93 2hfq s HIS 59 CO 0.75 -0.88 0.02 -1.12 -1.00 0.00 0.00 174.74 172.51 2hfq s SER 60 N -2.89 4.76 0.08 7.38 0.01 -1.26 -2.86 113.70 118.92 2hfq s SER 60 Ca 0.11 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 57.00 2hfq s SER 60 Cb -0.00 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 2hfq s SER 60 CO -0.02 -0.08 -0.22 -0.70 0.41 0.00 0.00 173.24 172.63 2hfq s GLU 61 N 1.51 1.78 -0.61 12.44 2.56 -1.22 -5.01 118.70 130.15 2hfq s GLU 61 Ca 0.05 -1.14 -0.28 0.00 0.00 0.00 0.00 54.97 53.60 2hfq s GLU 61 Cb -0.15 -2.05 0.02 0.00 2.00 0.00 0.00 34.13 33.95 2hfq s GLU 61 CO 0.00 0.50 1.36 0.21 -0.56 0.00 0.00 175.26 176.77 2hfq s LYS 62 N -1.67 3.28 -0.06 4.30 2.47 -1.26 -3.33 119.74 123.46 2hfq s LYS 62 Ca 0.14 0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.50 2hfq s LYS 62 Cb -0.10 -4.13 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 2hfq s LYS 62 CO 0.06 -1.99 1.35 0.00 0.16 0.00 0.00 175.35 174.93 2hfq s ALA 63 N 5.94 3.59 0.75 3.13 0.00 -1.26 -5.02 121.76 128.88 2hfq s ALA 63 Ca 0.47 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2hfq s ALA 63 Cb -0.09 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.47 2hfq s ALA 63 CO 0.22 -1.00 1.09 -1.25 0.00 0.00 0.00 175.76 174.82 2hfq s PRO 64 N 2.82 2.42 0.44 0.00 0.04 -1.26 -4.86 135.00 134.61 2hfq s PRO 64 Ca 0.61 1.16 0.16 0.00 0.04 0.00 0.00 61.00 62.98 2hfq s PRO 64 Cb -0.28 -1.92 1.09 0.00 0.04 0.00 0.00 34.50 33.44 2hfq s PRO 64 CO 0.23 -1.52 1.95 0.22 0.04 0.00 0.00 177.00 177.93 2hfq h ASP 65 N -0.93 0.32 0.05 6.66 3.58 -1.99 -2.05 116.42 122.05 2hfq h ASP 65 Ca -0.44 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.05 2hfq h ASP 65 Cb 1.23 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.19 2hfq h ASP 65 CO 0.52 0.18 -0.23 -0.08 -2.88 0.00 0.00 179.24 176.76 2hfq h GLU 66 N 0.35 -0.37 0.00 0.28 4.81 -2.01 -2.47 114.58 115.17 2hfq h GLU 66 Ca 0.32 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2hfq h GLU 66 Cb 0.76 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2hfq h GLU 66 CO -0.09 -0.25 -0.33 -0.39 -0.73 0.00 0.00 179.01 177.23 2hfq h VAL 67 N -0.39 0.68 -0.40 0.32 -1.51 -1.76 -2.95 116.25 110.25 2hfq h VAL 67 Ca 0.05 -1.53 0.03 0.00 -1.23 0.00 0.00 66.70 64.02 2hfq h VAL 67 Cb 0.44 2.02 -0.04 0.00 -2.13 0.00 0.00 31.29 31.58 2hfq h VAL 67 CO -0.17 0.32 0.18 0.40 -1.23 0.00 0.00 177.57 177.07 2hfq h ILE 68 N 0.00 0.95 -0.15 7.19 1.08 -1.04 0.10 117.51 125.64 2hfq h ILE 68 Ca -0.00 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2hfq h ILE 68 Cb 0.99 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2hfq h ILE 68 CO 0.04 0.07 0.08 -0.08 -0.69 0.00 0.00 178.15 177.57 2hfq h GLU 69 N 0.37 0.17 -0.33 2.37 4.81 -1.29 -0.65 114.58 120.04 2hfq h GLU 69 Ca 0.17 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2hfq h GLU 69 Cb 0.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2hfq h GLU 69 CO -0.14 0.11 0.16 0.00 -0.73 0.00 0.00 179.01 178.41 2hfq h ALA 70 N 1.07 0.42 -0.43 2.92 0.00 -1.32 -1.13 119.26 120.80 2hfq h ALA 70 Ca 0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2hfq h ALA 70 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2hfq h ALA 70 CO -0.03 -0.01 -0.29 0.82 0.00 0.00 0.00 179.25 179.74 2hfq h ILE 71 N 0.39 1.27 -0.06 0.00 2.04 -0.74 0.35 117.51 120.77 2hfq h ILE 71 Ca 0.11 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 2hfq h ILE 71 Cb 0.12 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2hfq h ILE 71 CO -0.01 0.49 -0.19 0.50 0.00 0.00 0.00 178.15 178.94 2hfq h LYS 72 N 0.79 0.09 0.01 2.37 3.64 -0.94 0.41 116.57 122.93 2hfq h LYS 72 Ca 0.09 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2hfq h LYS 72 Cb 0.86 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2hfq h LYS 72 CO 0.08 0.28 -0.37 0.37 -2.27 0.00 0.00 179.45 177.54 2hfq h GLN 73 N 0.08 0.02 0.00 1.90 4.15 -0.87 -3.40 115.11 116.99 2hfq h GLN 73 Ca 0.02 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.15 2hfq h GLN 73 Cb 0.39 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 2hfq h GLN 73 CO 0.03 1.02 -1.95 0.09 -1.93 0.00 0.00 178.83 176.08 2hfq n ASN 74 N -4.53 0.40 0.00 -0.69 3.02 0.09 -4.97 115.26 108.57 2hfq n ASN 74 Ca -0.16 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2hfq n ASN 74 Cb 0.55 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 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 1.56 2.91 3.37 7.41 0.00 0.14 -5.02 105.19 115.56 2hfq n GLY 75 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.70 -0.37 -0.10 1.61 1.13 -1.25 -4.61 117.35 111.07 2hfq s TYR 76 Ca 0.00 0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 55.93 2hfq s TYR 76 Cb 0.00 0.33 0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2hfq s TYR 76 CO 0.00 -0.67 -0.03 0.12 -2.51 0.00 0.00 175.55 172.46 2hfq s PHE 77 N -2.93 1.05 -0.48 -3.49 5.36 0.35 -4.52 117.98 113.32 2hfq s PHE 77 Ca -0.03 -0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 55.27 2hfq s PHE 77 Cb -0.00 -1.01 0.03 0.00 -0.34 0.00 0.00 43.02 41.71 2hfq s PHE 77 CO -0.06 -0.43 0.73 0.42 -1.46 0.00 0.00 175.22 174.43 2hfq s ILE 78 N 1.85 4.71 -0.33 3.12 -1.09 -1.26 -0.46 121.20 127.74 2hfq s ILE 78 Ca 0.05 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.46 2hfq s ILE 78 Cb -0.13 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.45 2hfq s ILE 78 CO -0.07 -0.76 0.17 -0.47 -1.23 0.00 0.00 174.94 172.58 2hfq s TYR 79 N 3.11 3.20 -0.51 3.97 5.04 -0.36 -4.97 117.35 126.83 2hfq s TYR 79 Ca 0.24 -0.73 -0.29 0.00 -2.44 0.00 0.00 57.07 53.86 2hfq s TYR 79 Cb -0.14 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.81 2hfq s TYR 79 CO 0.19 -0.53 1.21 -1.59 -1.34 0.00 0.00 175.55 173.48 2hfq s LYS 80 N 1.59 3.62 0.15 4.97 0.00 -1.26 -0.05 119.74 128.75 2hfq s LYS 80 Ca 0.04 0.51 -0.17 0.00 0.00 0.00 0.00 55.97 56.35 2hfq s LYS 80 Cb -0.18 -3.97 0.01 0.00 0.00 0.00 0.00 37.83 33.69 2hfq s LYS 80 CO 0.06 -1.53 1.79 1.98 0.00 0.00 0.00 175.35 177.66 2hfq h MET 81 N 9.62 0.42 0.00 1.78 4.05 -1.88 -3.47 114.93 125.45 2hfq h MET 81 Ca -0.24 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2hfq h MET 81 Cb 1.07 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2hfq h MET 81 CO 1.14 0.28 0.07 -1.91 0.23 0.00 0.00 176.91 176.72 2hfq n GLU 82 N -4.88 0.17 0.00 0.39 2.13 -1.26 -4.99 120.64 112.20 2hfq n GLU 82 Ca -0.00 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.48 2hfq n GLU 82 Cb 0.05 0.44 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2hfq n GLU 82 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hfq n GLY 83 N -0.11 2.04 3.31 8.31 0.00 -1.26 -4.74 105.19 112.75 2hfq n GLY 83 Ca -0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32