#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 0.98 -0.24 2.12 0.00 -1.26 -4.62 119.66 116.64 2hfq s GLN 2 Ca 0.00 -0.18 -0.17 0.00 -0.00 0.00 0.00 55.36 55.01 2hfq s GLN 2 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 33.01 32.05 2hfq s GLN 2 CO 0.00 -0.04 0.46 0.96 0.00 0.00 0.00 175.29 176.67 2hfq s ILE 3 N 0.76 5.13 -0.39 3.63 -4.36 -1.22 -3.90 121.20 120.85 2hfq s ILE 3 Ca -0.11 0.79 -0.24 0.00 -0.26 0.00 0.00 60.65 60.83 2hfq s ILE 3 Cb -0.14 -3.78 0.01 0.00 1.25 0.00 0.00 42.46 39.80 2hfq s ILE 3 CO 0.01 0.15 0.81 -1.00 0.24 0.00 0.00 174.94 175.15 2hfq s HIS 4 N 1.92 3.07 -0.44 1.37 3.76 0.94 -2.72 115.29 123.19 2hfq s HIS 4 Ca 0.20 0.50 -0.26 0.00 -0.15 0.00 0.00 55.06 55.35 2hfq s HIS 4 Cb -0.15 -3.52 0.03 0.00 1.11 0.00 0.00 32.58 30.04 2hfq s HIS 4 CO 0.09 -0.81 0.98 0.08 -0.85 0.00 0.00 174.74 174.23 2hfq s VAL 5 N 3.23 4.43 -0.32 -0.90 1.01 0.69 -2.49 120.40 126.05 2hfq s VAL 5 Ca 0.32 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 2hfq s VAL 5 Cb -0.13 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 2hfq s VAL 5 CO 0.19 -0.81 0.18 -0.31 0.00 0.00 0.00 175.10 174.35 2hfq s TYR 6 N 3.86 3.20 -0.89 5.22 2.02 -0.84 -0.54 117.35 129.38 2hfq s TYR 6 Ca 0.40 -0.46 -0.25 0.00 -0.37 0.00 0.00 57.07 56.39 2hfq s TYR 6 Cb -0.10 -2.40 0.03 0.00 -0.40 0.00 0.00 41.96 39.10 2hfq s TYR 6 CO 0.26 -0.43 1.45 0.34 -1.57 0.00 0.00 175.55 175.60 2hfq s ASP 7 N 1.65 6.21 -0.39 2.29 2.15 0.14 -1.78 116.67 126.94 2hfq s ASP 7 Ca 0.05 -0.93 -0.17 0.00 0.43 0.00 0.00 52.55 51.92 2hfq s ASP 7 Cb -0.17 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 2hfq s ASP 7 CO 0.08 -1.77 0.46 -0.89 -0.17 0.00 0.00 175.17 172.88 2hfq s THR 8 N 5.86 5.06 -0.41 1.71 2.01 -0.89 -2.47 115.64 126.51 2hfq s THR 8 Ca 0.45 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 2hfq s THR 8 Cb -0.04 -3.99 0.08 0.00 0.01 0.00 0.00 72.50 68.55 2hfq s THR 8 CO 0.01 -0.33 0.23 -0.31 -0.69 0.00 0.00 174.62 173.54 2hfq s TYR 9 N 2.24 3.36 -0.30 4.92 1.51 0.16 -2.16 117.35 127.09 2hfq s TYR 9 Ca 0.15 -1.67 -0.06 0.00 -1.01 0.00 0.00 57.07 54.48 2hfq s TYR 9 Cb -0.16 -2.91 0.02 0.00 -0.11 0.00 0.00 41.96 38.80 2hfq s TYR 9 CO 0.14 -0.86 0.07 0.08 -1.11 0.00 0.00 175.55 173.87 2hfq s VAL 10 N 1.37 3.72 -0.62 0.71 1.01 0.70 -4.62 120.40 122.67 2hfq s VAL 10 Ca 0.03 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 2hfq s VAL 10 Cb -0.23 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2hfq s VAL 10 CO 0.01 -0.00 1.05 -0.54 0.00 0.00 0.00 175.10 175.61 2hfq s LYS 11 N 1.43 3.27 0.83 2.72 1.02 -1.26 -0.11 119.74 127.65 2hfq s LYS 11 Ca 0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 2hfq s LYS 11 Cb -0.18 -4.12 0.10 0.00 -0.52 0.00 0.00 37.83 33.11 2hfq s LYS 11 CO 0.02 -1.72 1.19 0.00 -0.92 0.00 0.00 175.35 173.92 2hfq s ALA 12 N 4.45 2.54 0.46 5.17 0.00 -0.19 -4.93 121.76 129.26 2hfq s ALA 12 Ca 0.31 -0.70 0.25 0.00 0.00 0.00 0.00 51.96 51.81 2hfq s ALA 12 Cb -0.12 -2.94 1.42 0.00 0.00 0.00 0.00 23.12 21.48 2hfq s ALA 12 CO 0.17 -1.81 2.09 -0.22 0.00 0.00 0.00 175.76 175.99 2hfq h LYS 13 N -1.16 0.00 0.00 0.00 1.63 -1.95 -1.20 116.57 113.89 2hfq h LYS 13 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2hfq h LYS 13 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2hfq h LYS 13 CO 0.63 0.11 0.00 -0.25 -3.45 0.00 0.00 179.45 176.49 2hfq n ASP 14 N -3.84 0.29 -0.34 4.20 9.92 -1.26 -4.80 116.55 120.72 2hfq n ASP 14 Ca -0.02 0.60 -0.03 0.00 -0.53 0.00 0.00 54.79 54.80 2hfq n ASP 14 Cb 0.21 -0.65 -0.00 0.00 -0.64 0.00 0.00 41.12 40.04 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 -0.63 0.31 3.46 0.44 0.00 -0.45 -5.04 105.19 103.26 2hfq n GLY 15 Ca 0.01 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.15 2.67 -0.52 1.61 5.04 -1.24 -4.95 115.29 115.75 2hfq s HIS 16 Ca 0.00 -0.21 -0.18 0.00 -1.54 0.00 0.00 55.06 53.12 2hfq s HIS 16 Cb 0.00 -1.63 0.07 0.00 0.04 0.00 0.00 32.58 31.06 2hfq s HIS 16 CO 0.00 0.14 0.60 0.08 -2.34 0.00 0.00 174.74 173.23 2hfq s VAL 17 N -0.66 4.93 -0.73 0.89 1.01 -1.26 -1.02 120.40 123.55 2hfq s VAL 17 Ca 0.10 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2hfq s VAL 17 Cb -0.11 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.04 2hfq s VAL 17 CO 0.01 -0.84 1.04 -0.04 0.00 0.00 0.00 175.10 175.26 2hfq s MET 18 N 2.47 3.23 -0.13 2.72 -1.94 0.84 -4.42 119.30 122.07 2hfq s MET 18 Ca 0.12 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 2hfq s MET 18 Cb -0.21 -4.41 0.02 0.00 2.01 0.00 0.00 34.83 32.24 2hfq s MET 18 CO 0.10 -1.85 -0.12 -3.38 -0.01 0.00 0.00 175.02 169.76 2hfq s HIS 19 N 3.94 1.89 0.14 -0.03 -3.43 -0.17 -0.22 115.29 117.41 2hfq s HIS 19 Ca 0.26 -1.02 -0.06 0.00 -0.80 0.00 0.00 55.06 53.44 2hfq s HIS 19 Cb -0.13 -1.44 -0.02 0.00 -1.43 0.00 0.00 32.58 29.56 2hfq s HIS 19 CO 0.06 -0.60 0.19 -0.59 -2.00 0.00 0.00 174.74 171.80 2hfq s PHE 20 N 1.53 0.48 -0.35 0.38 -0.71 -0.92 -1.35 117.98 117.04 2hfq s PHE 20 Ca 0.04 -0.87 -0.16 0.00 -1.04 0.00 0.00 56.93 54.90 2hfq s PHE 20 Cb -0.13 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.49 2hfq s PHE 20 CO -0.09 -0.62 0.43 -0.51 -1.34 0.00 0.00 175.22 173.09 2hfq s ASP 21 N -2.97 6.23 -0.52 1.98 1.01 -0.10 -2.09 116.67 120.21 2hfq s ASP 21 Ca 0.16 -0.20 -0.21 0.00 0.71 0.00 0.00 52.55 53.01 2hfq s ASP 21 Cb 0.05 -2.23 0.05 0.00 1.01 0.00 0.00 42.92 41.81 2hfq s ASP 21 CO -0.02 -0.42 0.73 -0.69 0.21 0.00 0.00 175.17 174.98 2hfq s VAL 22 N 2.17 4.72 -0.40 -1.27 1.01 -0.74 -0.73 120.40 125.16 2hfq s VAL 22 Ca 0.14 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 2hfq s VAL 22 Cb -0.16 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2hfq s VAL 22 CO 0.12 -0.92 0.79 -0.36 0.00 0.00 0.00 175.10 174.73 2hfq s PHE 23 N 3.04 3.06 -0.17 5.22 0.08 0.11 -1.98 117.98 127.35 2hfq s PHE 23 Ca 0.20 0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.66 2hfq s PHE 23 Cb -0.17 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 2hfq s PHE 23 CO 0.14 -0.84 -0.19 0.95 -0.10 0.00 0.00 175.22 175.19 2hfq s THR 24 N 3.19 2.25 0.09 0.64 -4.23 -1.04 -1.34 115.64 115.19 2hfq s THR 24 Ca 0.31 -0.89 0.08 0.00 -1.18 0.00 0.00 61.69 60.01 2hfq s THR 24 Cb -0.13 -1.94 -0.20 0.00 1.34 0.00 0.00 72.50 71.58 2hfq s THR 24 CO 0.19 0.53 1.22 -0.78 -0.54 0.00 0.00 174.62 175.24 2hfq h ASP 25 N 7.72 0.00 -2.76 3.99 3.58 -1.76 0.27 116.42 127.46 2hfq h ASP 25 Ca -0.40 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.48 2hfq h ASP 25 Cb 1.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 2hfq h ASP 25 CO 0.61 0.97 1.13 -0.69 -2.88 0.00 0.00 179.24 178.38 2hfq s VAL 26 N -2.71 3.69 -1.06 2.25 1.01 -1.26 -4.61 120.40 117.70 2hfq s VAL 26 Ca 0.01 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 2hfq s VAL 26 Cb 0.10 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2hfq s VAL 26 CO 0.82 -0.29 1.50 -0.60 0.00 0.00 0.00 175.10 176.52 2hfq s ARG 27 N 4.69 3.64 -0.28 2.72 3.52 -1.26 -4.83 118.95 127.15 2hfq s ARG 27 Ca 0.72 -1.25 -0.21 0.00 -0.13 0.00 0.00 55.73 54.86 2hfq s ARG 27 Cb -0.25 -5.38 0.08 0.00 -1.56 0.00 0.00 34.95 27.84 2hfq s ARG 27 CO 0.29 -2.23 0.76 0.34 -0.81 0.00 0.00 175.30 173.65 2hfq s ASP 28 N 4.90 -0.78 0.22 -2.12 -1.08 -1.26 -5.06 116.67 111.49 2hfq s ASP 28 Ca 0.47 1.37 0.13 0.00 -0.52 0.00 0.00 52.55 54.00 2hfq s ASP 28 Cb 0.01 1.36 -0.02 0.00 -1.46 0.00 0.00 42.92 42.80 2hfq s ASP 28 CO -0.07 -0.23 1.37 -2.24 0.52 0.00 0.00 175.17 174.52 2hfq h ASP 29 N 5.75 0.00 0.44 -0.34 2.03 -2.01 -3.08 116.42 119.21 2hfq h ASP 29 Ca -0.29 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.71 2hfq h ASP 29 Cb 1.19 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.64 2hfq h ASP 29 CO 0.11 0.65 -1.76 2.29 -1.03 0.00 0.00 179.24 179.50 2hfq n LYS 30 N -3.24 0.65 -0.24 4.15 2.85 -1.26 -3.66 118.16 117.41 2hfq n LYS 30 Ca 0.01 0.29 -0.06 0.00 -1.05 0.00 0.00 58.31 57.50 2hfq n LYS 30 Cb 0.80 -1.78 0.04 0.00 -0.65 0.00 0.00 35.03 33.45 2hfq n LYS 30 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2hfq h LYS 31 N 0.01 0.91 -0.86 -1.58 1.79 -1.95 -1.68 116.57 113.20 2hfq h LYS 31 Ca -0.31 -0.09 0.02 0.00 -2.18 0.00 0.00 60.65 58.09 2hfq h LYS 31 Cb 2.02 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 32.44 2hfq h LYS 31 CO 0.08 0.67 0.57 0.00 -1.08 0.00 0.00 179.45 179.68 2hfq h ALA 32 N 1.19 1.11 -0.12 3.86 0.00 -1.66 0.68 119.26 124.32 2hfq h ALA 32 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2hfq h ALA 32 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2hfq h ALA 32 CO -0.04 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.56 2hfq h ILE 33 N 1.14 1.07 -0.49 0.00 2.04 -1.53 -2.40 117.51 117.34 2hfq h ILE 33 Ca 0.33 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 2hfq h ILE 33 Cb -0.08 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2hfq h ILE 33 CO -0.09 0.06 0.01 -0.33 0.00 0.00 0.00 178.15 177.81 2hfq h GLU 34 N 0.13 0.80 -0.67 2.37 4.39 -0.86 -1.82 114.58 118.93 2hfq h GLU 34 Ca 0.04 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.57 2hfq h GLU 34 Cb 0.04 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 2hfq h GLU 34 CO -0.01 0.80 0.40 0.74 -1.16 0.00 0.00 179.01 179.79 2hfq h PHE 35 N 0.75 0.75 -0.55 4.33 0.04 -0.66 0.11 116.94 121.71 2hfq h PHE 35 Ca 0.15 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 2hfq h PHE 35 Cb 0.44 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2hfq h PHE 35 CO 0.02 0.40 -0.03 0.00 -0.60 0.00 0.00 178.31 178.11 2hfq h ALA 36 N 1.31 0.91 -0.25 2.45 0.00 -1.03 -2.74 119.26 119.91 2hfq h ALA 36 Ca 0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2hfq h ALA 36 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2hfq h ALA 36 CO -0.13 0.64 -0.15 0.87 0.00 0.00 0.00 179.25 180.48 2hfq h LYS 37 N 0.88 0.43 -0.62 0.00 1.57 -0.60 -2.20 116.57 116.03 2hfq h LYS 37 Ca 0.16 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2hfq h LYS 37 Cb 0.56 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2hfq h LYS 37 CO 0.03 0.57 0.41 1.96 -0.57 0.00 0.00 179.45 181.85 2hfq h GLN 38 N 0.39 0.65 -0.09 3.15 4.20 -0.49 0.68 115.11 123.61 2hfq h GLN 38 Ca 0.07 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.52 2hfq h GLN 38 Cb 0.49 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.13 2hfq h GLN 38 CO 0.03 0.43 -0.83 2.35 -0.67 0.00 0.00 178.83 180.14 2hfq h TRP 39 N 0.67 0.85 -0.41 2.96 7.01 -1.36 -1.88 115.95 123.79 2hfq h TRP 39 Ca 0.26 -0.40 -0.11 0.00 2.11 0.00 0.00 58.89 60.74 2hfq h TRP 39 Cb 0.19 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2hfq h TRP 39 CO -0.00 1.21 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.59 2hfq h LEU 40 N 0.40 0.81 -0.56 0.65 3.38 -0.82 -2.25 115.31 116.93 2hfq h LEU 40 Ca -0.06 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 2hfq h LEU 40 Cb 1.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2hfq h LEU 40 CO 0.16 1.00 -0.17 -1.28 0.09 0.00 0.00 178.44 178.24 2hfq h SER 41 N 0.70 0.99 -0.31 -0.43 0.87 0.37 0.15 113.55 115.89 2hfq h SER 41 Ca 0.10 -0.35 -0.16 0.00 -1.23 0.00 0.00 61.79 60.15 2hfq h SER 41 Cb 0.72 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2hfq h SER 41 CO 0.06 1.13 -0.42 0.77 -0.53 0.00 0.00 176.83 177.84 2hfq h SER 42 N 0.86 0.93 1.39 6.23 4.64 -1.23 -2.65 113.55 123.72 2hfq h SER 42 Ca 0.12 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2hfq h SER 42 Cb 0.73 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2hfq h SER 42 CO 0.06 1.22 -0.21 0.16 -0.87 0.00 0.00 176.83 177.19 2hfq h ILE 43 N 0.70 0.41 0.00 0.95 3.07 -1.37 -3.47 117.51 117.80 2hfq h ILE 43 Ca 0.05 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.16 2hfq h ILE 43 Cb 1.00 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 2hfq h ILE 43 CO 0.10 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 178.01 2hfq n GLY 44 N 0.68 0.56 0.64 0.16 0.00 0.17 -4.95 105.19 102.46 2hfq n GLY 44 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.64 1.85 -1.77 1.61 -0.58 0.28 -4.90 120.64 115.49 2hfq n GLU 45 Ca 0.00 -1.10 -0.38 0.00 -0.42 0.00 0.00 57.16 55.26 2hfq n GLU 45 Cb 0.00 -1.34 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 2hfq n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2hfq s GLU 46 N -1.62 2.88 0.00 3.49 2.56 -0.85 -3.95 118.70 121.21 2hfq s GLU 46 Ca 0.20 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.33 2hfq s GLU 46 Cb 0.11 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 34.17 2hfq s GLU 46 CO 0.12 -1.37 0.00 0.41 -0.56 0.00 0.00 175.26 173.86 2hfq n GLY 47 N 0.79 1.76 3.79 -1.50 0.00 -1.26 -5.00 105.19 103.77 2hfq n GLY 47 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.28 3.02 -0.59 4.61 0.00 -1.25 -4.97 121.76 121.30 2hfq s ALA 48 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 2hfq s ALA 48 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2hfq s ALA 48 CO 0.00 -0.26 1.29 0.99 0.00 0.00 0.00 175.76 177.77 2hfq s THR 49 N -1.75 3.89 -0.50 0.00 2.01 -1.26 -4.96 115.64 113.07 2hfq s THR 49 Ca 0.61 0.75 -0.09 0.00 0.31 0.00 0.00 61.69 63.27 2hfq s THR 49 Cb -0.21 -4.64 0.13 0.00 0.01 0.00 0.00 72.50 67.79 2hfq s THR 49 CO 0.26 -1.35 0.38 -0.69 -0.69 0.00 0.00 174.62 172.53 2hfq s VAL 50 N 5.48 4.28 0.17 3.82 1.01 -1.26 -4.89 120.40 129.01 2hfq s VAL 50 Ca 0.45 -1.88 0.01 0.00 0.00 0.00 0.00 61.98 60.57 2hfq s VAL 50 Cb -0.09 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2hfq s VAL 50 CO 0.24 -0.80 0.07 0.35 0.00 0.00 0.00 175.10 174.96 2hfq n THR 51 N 4.80 0.00 0.31 3.92 -2.24 -1.26 -4.98 114.28 114.83 2hfq n THR 51 Ca -0.06 -0.72 0.10 0.00 -2.27 0.00 0.00 64.05 61.10 2hfq n THR 51 Cb 0.41 -0.11 0.44 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.54 0.48 0.18 3.42 7.64 -1.26 -1.06 113.62 121.47 2hfq n SER 52 Ca -0.04 0.65 0.06 0.00 1.01 0.00 0.00 58.87 60.55 2hfq n SER 52 Cb 0.20 -0.74 0.28 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.06 1.43 4.39 -1.97 -3.29 114.58 115.19 2hfq h GLU 53 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2hfq h GLU 53 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2hfq h GLU 53 CO 0.00 0.38 -2.12 0.39 -1.16 0.00 0.00 179.01 176.50 2hfq n GLU 54 N -3.43 0.68 -3.27 2.33 4.71 -0.23 -4.74 120.64 116.70 2hfq n GLU 54 Ca 0.00 0.26 -0.46 0.00 -0.01 0.00 0.00 57.16 56.96 2hfq n GLU 54 Cb 0.55 -1.63 -0.04 0.00 -1.01 0.00 0.00 31.44 29.31 2hfq n GLU 54 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hfq s ARG 56 N 1.30 3.42 0.05 0.00 1.70 -1.03 -4.61 118.95 119.78 2hfq s ARG 56 Ca 0.11 -0.32 -0.27 0.00 -0.47 0.00 0.00 55.73 54.79 2hfq s ARG 56 Cb -0.21 -3.09 -0.05 0.00 -0.57 0.00 0.00 34.95 31.03 2hfq s ARG 56 CO -0.01 0.68 0.83 0.12 -1.08 0.00 0.00 175.30 175.84 2hfq s PHE 57 N -1.30 3.74 0.00 5.89 5.36 -1.26 0.28 117.98 130.70 2hfq s PHE 57 Ca 0.26 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 2hfq s PHE 57 Cb -0.13 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 2hfq s PHE 57 CO 0.17 0.23 0.00 0.00 -1.46 0.00 0.00 175.22 174.16 2hfq s HIS 59 N -0.96 0.06 -0.08 0.00 -3.43 -1.23 -5.01 115.29 104.64 2hfq s HIS 59 Ca 0.00 -0.59 0.03 0.00 -0.80 0.00 0.00 55.06 53.70 2hfq s HIS 59 Cb 0.00 0.77 0.00 0.00 -1.43 0.00 0.00 32.58 31.92 2hfq s HIS 59 CO 0.00 -1.26 -0.19 -1.12 -2.00 0.00 0.00 174.74 170.17 2hfq s SER 60 N -3.17 2.55 0.27 7.38 0.01 -1.26 -0.23 113.70 119.25 2hfq s SER 60 Ca 0.17 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2hfq s SER 60 Cb -0.04 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2hfq s SER 60 CO 0.08 0.12 0.18 -1.83 0.41 0.00 0.00 173.24 172.20 2hfq s GLU 61 N 0.42 1.48 -0.02 12.44 -1.05 -1.10 -4.98 118.70 125.87 2hfq s GLU 61 Ca -0.16 -1.82 -0.30 0.00 -0.15 0.00 0.00 54.97 52.54 2hfq s GLU 61 Cb -0.17 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.66 2hfq s GLU 61 CO 0.06 -0.49 1.51 0.21 0.95 0.00 0.00 175.26 177.51 2hfq s LYS 62 N -3.85 4.23 -0.08 -4.83 2.20 -1.26 -3.39 119.74 112.75 2hfq s LYS 62 Ca 0.39 2.07 -0.23 0.00 -0.36 0.00 0.00 55.97 57.84 2hfq s LYS 62 Cb 0.05 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2hfq s LYS 62 CO 0.18 -0.71 0.68 0.00 -0.36 0.00 0.00 175.35 175.15 2hfq s ALA 63 N 3.10 3.37 0.41 3.13 0.00 -1.26 -4.99 121.76 125.52 2hfq s ALA 63 Ca 0.68 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2hfq s ALA 63 Cb -0.32 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 2hfq s ALA 63 CO 0.27 -0.15 1.16 -2.30 0.00 0.00 0.00 175.76 174.74 2hfq n PRO 64 N 3.93 1.69 0.32 0.00 -0.02 -1.26 -4.80 135.00 134.85 2hfq n PRO 64 Ca -0.01 0.60 0.20 0.00 -2.02 0.00 0.00 63.50 62.27 2hfq n PRO 64 Cb 0.51 -2.23 1.12 0.00 -0.02 0.00 0.00 33.50 32.88 2hfq n PRO 64 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2hfq h ASP 65 N 1.88 0.00 0.16 2.55 3.32 -1.99 -1.13 116.42 121.20 2hfq h ASP 65 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2hfq h ASP 65 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2hfq h ASP 65 CO 0.59 0.00 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.95 2hfq h GLU 66 N 0.00 -0.20 0.00 3.56 4.81 -2.01 -2.98 114.58 117.75 2hfq h GLU 66 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2hfq h GLU 66 Cb 0.01 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2hfq h GLU 66 CO -0.00 0.05 -0.04 -0.39 -0.73 0.00 0.00 179.01 177.90 2hfq h VAL 67 N -0.43 0.10 -0.54 0.32 -1.51 -1.59 -2.56 116.25 110.03 2hfq h VAL 67 Ca -0.02 -0.68 0.02 0.00 -1.23 0.00 0.00 66.70 64.79 2hfq h VAL 67 Cb 0.34 1.62 -0.03 0.00 -2.13 0.00 0.00 31.29 31.08 2hfq h VAL 67 CO 0.03 0.04 0.33 0.40 -1.23 0.00 0.00 177.57 177.15 2hfq h ILE 68 N 0.00 1.07 -0.10 7.19 1.08 -1.25 0.66 117.51 126.15 2hfq h ILE 68 Ca -0.00 -0.23 -0.14 0.00 -0.39 0.00 0.00 64.86 64.11 2hfq h ILE 68 Cb 0.61 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2hfq h ILE 68 CO 0.01 0.12 -0.53 -0.08 -0.69 0.00 0.00 178.15 176.98 2hfq h GLU 69 N 0.67 0.30 -0.29 2.37 4.81 -1.33 0.15 114.58 121.25 2hfq h GLU 69 Ca 0.22 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2hfq h GLU 69 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2hfq h GLU 69 CO -0.09 0.75 -0.07 0.00 -0.73 0.00 0.00 179.01 178.88 2hfq h ALA 70 N 1.21 0.40 -0.13 2.92 0.00 -1.28 -2.77 119.26 119.61 2hfq h ALA 70 Ca 0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2hfq h ALA 70 Cb 1.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2hfq h ALA 70 CO 0.09 0.21 -0.47 0.82 0.00 0.00 0.00 179.25 179.90 2hfq h ILE 71 N 0.32 1.33 -1.00 0.00 2.04 -0.77 -1.57 117.51 117.86 2hfq h ILE 71 Ca 0.07 -1.68 0.20 0.00 1.00 0.00 0.00 64.86 64.46 2hfq h ILE 71 Cb 0.55 1.75 -0.11 0.00 -0.74 0.00 0.00 36.82 38.27 2hfq h ILE 71 CO 0.03 0.51 0.61 0.50 0.00 0.00 0.00 178.15 179.80 2hfq h LYS 72 N 0.26 0.68 0.04 2.37 3.64 -0.54 0.49 116.57 123.52 2hfq h LYS 72 Ca 0.02 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 2hfq h LYS 72 Cb 0.93 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2hfq h LYS 72 CO 0.08 0.45 -1.24 1.96 -2.27 0.00 0.00 179.45 178.43 2hfq h GLN 73 N 0.70 0.09 0.00 1.90 4.20 -1.21 -3.41 115.11 117.38 2hfq h GLN 73 Ca 0.59 -0.16 -0.32 0.00 0.06 0.00 0.00 58.65 58.82 2hfq h GLN 73 Cb 1.00 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.78 2hfq h GLN 73 CO -0.38 1.07 -2.12 0.09 -0.67 0.00 0.00 178.83 176.83 2hfq n ASN 74 N -4.22 0.32 0.00 1.46 3.02 -0.62 -4.97 115.26 110.25 2hfq n ASN 74 Ca -0.28 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2hfq n ASN 74 Cb 0.76 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.58 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 1.66 0.41 3.70 7.41 0.00 0.17 -5.03 105.19 113.50 2hfq n GLY 75 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.15 -0.29 -0.04 1.61 1.13 -1.26 -4.35 117.35 112.01 2hfq s TYR 76 Ca 0.00 -0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.58 2hfq s TYR 76 Cb 0.00 0.64 0.03 0.00 -1.10 0.00 0.00 41.96 41.52 2hfq s TYR 76 CO 0.00 -1.09 -0.00 0.12 -2.51 0.00 0.00 175.55 172.06 2hfq s PHE 77 N -3.86 0.47 -0.53 -3.49 5.36 -0.45 -4.08 117.98 111.40 2hfq s PHE 77 Ca 0.08 -0.06 -0.16 0.00 -0.96 0.00 0.00 56.93 55.82 2hfq s PHE 77 Cb -0.04 -0.56 0.11 0.00 -0.34 0.00 0.00 43.02 42.18 2hfq s PHE 77 CO 0.00 -0.19 0.50 0.42 -1.46 0.00 0.00 175.22 174.49 2hfq s ILE 78 N 1.31 5.15 -0.46 3.12 -1.09 -1.26 -0.71 121.20 127.25 2hfq s ILE 78 Ca -0.05 -1.25 -0.26 0.00 -2.23 0.00 0.00 60.65 56.85 2hfq s ILE 78 Cb -0.13 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 2hfq s ILE 78 CO -0.02 -0.82 0.96 -0.47 -1.23 0.00 0.00 174.94 173.36 2hfq s TYR 79 N 1.81 2.91 -1.00 3.97 5.04 0.09 -4.95 117.35 125.21 2hfq s TYR 79 Ca 0.05 0.44 -0.23 0.00 -2.44 0.00 0.00 57.07 54.89 2hfq s TYR 79 Cb -0.27 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.02 2hfq s TYR 79 CO 0.05 -1.13 1.62 0.15 -1.34 0.00 0.00 175.55 174.90 2hfq s LYS 80 N 3.87 3.29 0.01 4.97 1.02 -1.26 -0.92 119.74 130.72 2hfq s LYS 80 Ca 0.39 -0.93 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 2hfq s LYS 80 Cb -0.10 -5.28 -0.15 0.00 -0.52 0.00 0.00 37.83 31.78 2hfq s LYS 80 CO 0.27 -2.58 1.11 1.98 -0.92 0.00 0.00 175.35 175.21 2hfq h MET 81 N 10.10 -0.83 -1.66 1.68 1.85 -1.91 -3.47 114.93 120.70 2hfq h MET 81 Ca 0.18 0.06 0.10 0.00 -0.61 0.00 0.00 59.70 59.43 2hfq h MET 81 Cb 1.00 0.19 -0.23 0.00 0.43 0.00 0.00 31.60 32.99 2hfq h MET 81 CO 1.36 -0.52 0.09 -2.00 -0.40 0.00 0.00 176.91 175.44 2hfq s GLU 82 N -4.64 0.50 0.00 0.39 2.12 -0.45 -5.03 118.70 111.58 2hfq s GLU 82 Ca -0.14 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2hfq s GLU 82 Cb 0.02 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2hfq s GLU 82 CO 0.44 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 2hfq n GLY 83 N 4.75 -0.84 0.32 -1.50 0.00 -1.26 -1.00 105.19 105.66 2hfq n GLY 83 Ca -0.14 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32