#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 3.28 -0.01 2.12 -2.07 -1.26 -0.04 119.66 121.68 2hfq s GLN 2 Ca 0.00 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.71 2hfq s GLN 2 Cb 0.00 -2.80 0.01 0.00 -1.09 0.00 0.00 33.01 29.13 2hfq s GLN 2 CO 0.00 0.43 -0.01 0.96 -1.32 0.00 0.00 175.29 175.35 2hfq s ILE 3 N -2.00 0.11 -0.29 3.63 -4.36 0.00 -4.68 121.20 113.62 2hfq s ILE 3 Ca 0.34 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.47 2hfq s ILE 3 Cb -0.09 -0.14 0.01 0.00 1.25 0.00 0.00 42.46 43.48 2hfq s ILE 3 CO 0.28 0.07 0.91 -1.00 0.24 0.00 0.00 174.94 175.43 2hfq s HIS 4 N 0.33 3.22 -0.42 1.37 3.76 0.01 -1.84 115.29 121.73 2hfq s HIS 4 Ca -0.03 1.05 -0.19 0.00 -0.15 0.00 0.00 55.06 55.73 2hfq s HIS 4 Cb -0.05 -3.34 0.02 0.00 1.11 0.00 0.00 32.58 30.32 2hfq s HIS 4 CO -0.01 -0.59 0.57 0.08 -0.85 0.00 0.00 174.74 173.94 2hfq s VAL 5 N 3.17 4.92 -0.46 -0.90 1.01 0.47 -2.61 120.40 126.00 2hfq s VAL 5 Ca 0.38 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 2hfq s VAL 5 Cb -0.14 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2hfq s VAL 5 CO 0.12 -0.48 0.31 -0.31 0.00 0.00 0.00 175.10 174.74 2hfq s TYR 6 N 2.58 3.48 -0.99 5.22 2.02 -1.02 -1.75 117.35 126.89 2hfq s TYR 6 Ca 0.19 -2.06 -0.23 0.00 -0.37 0.00 0.00 57.07 54.60 2hfq s TYR 6 Cb -0.15 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 2hfq s TYR 6 CO 0.17 -0.99 1.71 0.34 -1.57 0.00 0.00 175.55 175.21 2hfq s ASP 7 N 2.37 5.84 -0.28 2.29 2.15 -1.25 -0.96 116.67 126.84 2hfq s ASP 7 Ca 0.07 -1.18 -0.26 0.00 0.43 0.00 0.00 52.55 51.61 2hfq s ASP 7 Cb -0.25 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 2hfq s ASP 7 CO -0.02 -2.12 0.89 -0.89 -0.17 0.00 0.00 175.17 172.87 2hfq s THR 8 N 7.51 4.73 -0.49 1.71 2.01 0.06 -4.37 115.64 126.80 2hfq s THR 8 Ca 0.58 1.53 -0.22 0.00 0.31 0.00 0.00 61.69 63.89 2hfq s THR 8 Cb -0.03 -4.22 0.04 0.00 0.01 0.00 0.00 72.50 68.31 2hfq s THR 8 CO -0.04 -0.23 0.77 -0.31 -0.69 0.00 0.00 174.62 174.11 2hfq s TYR 9 N 3.10 2.96 -0.29 4.92 2.02 0.40 -2.38 117.35 128.08 2hfq s TYR 9 Ca 0.37 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.90 2hfq s TYR 9 Cb -0.14 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.73 2hfq s TYR 9 CO 0.11 -1.08 0.09 0.08 -1.57 0.00 0.00 175.55 173.17 2hfq s VAL 10 N 3.24 4.10 -0.64 0.71 1.01 0.64 -4.69 120.40 124.76 2hfq s VAL 10 Ca 0.25 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2hfq s VAL 10 Cb -0.14 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2hfq s VAL 10 CO 0.18 0.12 1.06 -0.54 0.00 0.00 0.00 175.10 175.93 2hfq s LYS 11 N 1.53 3.23 0.76 2.72 1.02 -1.26 0.26 119.74 128.00 2hfq s LYS 11 Ca 0.04 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 2hfq s LYS 11 Cb -0.17 -4.15 0.05 0.00 -0.52 0.00 0.00 37.83 33.05 2hfq s LYS 11 CO 0.03 -1.80 1.10 0.00 -0.92 0.00 0.00 175.35 173.76 2hfq s ALA 12 N 4.57 2.22 0.33 5.17 0.00 -0.06 -4.72 121.76 129.27 2hfq s ALA 12 Ca 0.30 0.37 0.14 0.00 0.00 0.00 0.00 51.96 52.77 2hfq s ALA 12 Cb -0.12 -3.31 0.69 0.00 0.00 0.00 0.00 23.12 20.38 2hfq s ALA 12 CO 0.15 -1.76 1.79 0.87 0.00 0.00 0.00 175.76 176.81 2hfq h LYS 13 N -0.94 0.00 0.00 0.00 1.57 -1.95 -2.36 116.57 112.90 2hfq h LYS 13 Ca -0.44 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 2hfq h LYS 13 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2hfq h LYS 13 CO 0.51 0.41 -0.39 0.22 -0.57 0.00 0.00 179.45 179.62 2hfq h ASP 14 N 0.00 0.00 0.00 0.86 3.58 -2.02 -3.47 116.42 115.37 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 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2hfq h ASP 14 CO 0.05 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 2hfq n GLY 15 N -0.02 0.67 3.20 -0.78 0.00 -0.89 -5.15 105.19 102.22 2hfq n GLY 15 Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.07 -0.31 -0.72 1.61 5.04 -1.25 -4.98 115.29 113.61 2hfq s HIS 16 Ca 0.00 0.74 -0.18 0.00 -1.54 0.00 0.00 55.06 54.07 2hfq s HIS 16 Cb 0.00 0.11 0.13 0.00 0.04 0.00 0.00 32.58 32.86 2hfq s HIS 16 CO 0.00 -0.19 0.84 0.08 -2.34 0.00 0.00 174.74 173.13 2hfq s VAL 17 N -0.04 4.88 -1.00 0.89 1.01 -1.26 -0.88 120.40 123.99 2hfq s VAL 17 Ca -0.02 -1.32 -0.23 0.00 0.00 0.00 0.00 61.98 60.41 2hfq s VAL 17 Cb -0.03 -4.58 0.05 0.00 0.00 0.00 0.00 36.38 31.83 2hfq s VAL 17 CO 0.01 -1.24 1.42 -0.04 0.00 0.00 0.00 175.10 175.25 2hfq s MET 18 N 2.41 3.58 -0.17 2.72 -1.94 0.14 -4.59 119.30 121.45 2hfq s MET 18 Ca 0.19 -1.13 -0.06 0.00 -1.71 0.00 0.00 55.69 52.98 2hfq s MET 18 Cb -0.16 -5.29 -0.04 0.00 2.01 0.00 0.00 34.83 31.35 2hfq s MET 18 CO 0.00 -2.18 0.03 -3.38 -0.01 0.00 0.00 175.02 169.48 2hfq s HIS 19 N 4.85 3.17 0.17 -0.03 -3.43 -1.23 -0.26 115.29 118.53 2hfq s HIS 19 Ca 0.45 -0.06 -0.05 0.00 -0.80 0.00 0.00 55.06 54.61 2hfq s HIS 19 Cb -0.01 -2.03 -0.03 0.00 -1.43 0.00 0.00 32.58 29.08 2hfq s HIS 19 CO -0.09 0.09 0.18 -0.59 -2.00 0.00 0.00 174.74 172.34 2hfq s PHE 20 N 0.35 0.75 -0.46 0.38 -0.12 -1.00 -0.91 117.98 116.96 2hfq s PHE 20 Ca 0.00 -1.08 -0.18 0.00 -0.05 0.00 0.00 56.93 55.62 2hfq s PHE 20 Cb -0.13 -0.31 0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2hfq s PHE 20 CO 0.01 -0.66 0.51 -0.51 -0.05 0.00 0.00 175.22 174.52 2hfq s ASP 21 N -3.05 6.21 -0.73 1.98 1.01 -0.31 -0.76 116.67 121.02 2hfq s ASP 21 Ca 0.26 -0.81 -0.24 0.00 0.71 0.00 0.00 52.55 52.47 2hfq s ASP 21 Cb 0.05 -2.25 0.06 0.00 1.01 0.00 0.00 42.92 41.80 2hfq s ASP 21 CO 0.04 -0.70 1.12 -0.69 0.21 0.00 0.00 175.17 175.15 2hfq s VAL 22 N 2.28 4.12 -0.53 -1.27 1.01 -0.13 -0.58 120.40 125.31 2hfq s VAL 22 Ca 0.13 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2hfq s VAL 22 Cb -0.18 -4.80 0.03 0.00 0.00 0.00 0.00 36.38 31.43 2hfq s VAL 22 CO 0.13 -1.63 1.00 -0.36 0.00 0.00 0.00 175.10 174.24 2hfq s PHE 23 N 4.59 2.79 -0.06 5.22 0.08 0.88 -2.43 117.98 129.05 2hfq s PHE 23 Ca 0.29 0.25 -0.17 0.00 0.12 0.00 0.00 56.93 57.42 2hfq s PHE 23 Cb -0.12 -4.16 0.03 0.00 -0.57 0.00 0.00 43.02 38.20 2hfq s PHE 23 CO 0.09 -1.32 0.39 -0.08 -0.10 0.00 0.00 175.22 174.20 2hfq s THR 24 N 4.14 0.03 -0.67 0.64 -1.32 -1.07 -1.15 115.64 116.23 2hfq s THR 24 Ca 0.36 -0.26 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 2hfq s THR 24 Cb -0.10 -0.65 0.19 0.00 -1.51 0.00 0.00 72.50 70.43 2hfq s THR 24 CO 0.24 -0.14 1.12 -0.67 -2.21 0.00 0.00 174.62 172.95 2hfq n ASP 25 N 1.73 2.50 -4.61 8.08 2.03 -1.26 -0.81 116.55 124.22 2hfq n ASP 25 Ca -0.19 -1.91 -0.43 0.00 0.52 0.00 0.00 54.79 52.78 2hfq n ASP 25 Cb 0.56 -0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 2hfq n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hfq s VAL 26 N -0.95 3.40 -1.23 5.18 1.01 -1.26 -4.87 120.40 121.68 2hfq s VAL 26 Ca 0.15 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 2hfq s VAL 26 Cb 0.08 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2hfq s VAL 26 CO 0.11 -0.30 1.91 0.54 0.00 0.00 0.00 175.10 177.36 2hfq n ARG 27 N 8.35 2.48 -3.50 2.72 1.74 -1.26 -4.75 116.66 122.44 2hfq n ARG 27 Ca 0.24 -2.73 -0.11 0.00 -0.77 0.00 0.00 57.85 54.47 2hfq n ARG 27 Cb 0.46 -3.43 -0.10 0.00 -1.02 0.00 0.00 32.46 28.36 2hfq n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hfq s ASP 28 N 4.70 0.35 0.39 0.55 2.15 -1.26 -5.05 116.67 118.50 2hfq s ASP 28 Ca 0.57 0.39 0.09 0.00 0.43 0.00 0.00 52.55 54.02 2hfq s ASP 28 Cb 0.06 0.96 0.86 0.00 -0.30 0.00 0.00 42.92 44.50 2hfq s ASP 28 CO 0.07 -0.28 1.96 0.44 -0.17 0.00 0.00 175.17 177.19 2hfq h ASP 29 N 8.22 0.55 0.85 -0.34 5.19 -2.02 -0.40 116.42 128.47 2hfq h ASP 29 Ca -0.17 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2hfq h ASP 29 Cb 1.14 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2hfq h ASP 29 CO 0.21 0.34 -0.52 2.29 -3.12 0.00 0.00 179.24 178.45 2hfq n LYS 30 N -4.48 0.22 -0.07 3.56 2.85 -1.26 -3.51 118.16 115.47 2hfq n LYS 30 Ca 0.10 0.08 -0.06 0.00 -1.05 0.00 0.00 58.31 57.38 2hfq n LYS 30 Cb 0.29 -1.65 0.13 0.00 -0.65 0.00 0.00 35.03 33.15 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 0.00 0.72 -0.92 -1.58 1.79 -1.43 0.06 116.57 115.22 2hfq h LYS 31 Ca 0.00 -0.26 0.08 0.00 -2.18 0.00 0.00 60.65 58.30 2hfq h LYS 31 Cb 0.68 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.22 2hfq h LYS 31 CO 0.00 0.85 0.59 0.00 -1.08 0.00 0.00 179.45 179.81 2hfq h ALA 32 N 1.17 1.56 -0.05 3.86 0.00 -1.58 0.40 119.26 124.61 2hfq h ALA 32 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2hfq h ALA 32 Cb 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hfq h ALA 32 CO 0.05 0.27 -0.09 0.82 0.00 0.00 0.00 179.25 180.30 2hfq h ILE 33 N 0.98 1.42 -0.79 0.00 2.04 -1.57 -2.52 117.51 117.07 2hfq h ILE 33 Ca 0.41 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 2hfq h ILE 33 Cb 0.31 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2hfq h ILE 33 CO -0.17 0.38 0.36 -0.33 0.00 0.00 0.00 178.15 178.38 2hfq h GLU 34 N -0.34 1.16 -0.48 2.37 5.08 -0.28 0.11 114.58 122.19 2hfq h GLU 34 Ca 0.00 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 2hfq h GLU 34 Cb 0.66 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2hfq h GLU 34 CO 0.02 0.91 -0.12 0.74 -1.00 0.00 0.00 179.01 179.56 2hfq h PHE 35 N 1.13 0.99 -0.69 4.33 0.04 -0.31 -2.22 116.94 120.21 2hfq h PHE 35 Ca 0.27 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2hfq h PHE 35 Cb 0.16 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2hfq h PHE 35 CO 0.02 0.95 0.18 0.00 -0.60 0.00 0.00 178.31 178.86 2hfq h ALA 36 N 1.06 0.91 -0.81 2.45 0.00 -0.96 -2.55 119.26 119.36 2hfq h ALA 36 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2hfq h ALA 36 Cb 0.65 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2hfq h ALA 36 CO 0.04 0.62 0.53 0.87 0.00 0.00 0.00 179.25 181.31 2hfq h LYS 37 N 1.03 0.85 -0.00 0.00 1.79 -0.46 0.95 116.57 120.73 2hfq h LYS 37 Ca 0.22 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2hfq h LYS 37 Cb 0.35 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2hfq h LYS 37 CO -0.00 0.56 0.00 1.96 -1.08 0.00 0.00 179.45 180.89 2hfq h GLN 38 N 0.87 0.00 -0.56 3.15 4.20 -0.99 0.31 115.11 122.10 2hfq h GLN 38 Ca 0.35 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.96 2hfq h GLN 38 Cb 0.24 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2hfq h GLN 38 CO -0.12 0.04 -0.03 2.35 -0.67 0.00 0.00 178.83 180.40 2hfq h TRP 39 N -0.04 1.08 -0.77 2.96 7.01 -1.26 -1.77 115.95 123.17 2hfq h TRP 39 Ca 0.00 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 60.79 2hfq h TRP 39 Cb 0.04 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 2hfq h TRP 39 CO -0.07 0.97 0.38 -0.07 -2.79 0.00 0.00 178.44 176.87 2hfq h LEU 40 N 0.90 1.00 -1.50 0.65 3.38 -0.60 -1.59 115.31 117.55 2hfq h LEU 40 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2hfq h LEU 40 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2hfq h LEU 40 CO 0.03 0.84 -0.16 0.28 0.09 0.00 0.00 178.44 179.53 2hfq h SER 41 N 1.08 0.11 -0.18 -0.43 0.02 0.00 0.19 113.55 114.35 2hfq h SER 41 Ca 0.27 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2hfq h SER 41 Cb 0.10 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2hfq h SER 41 CO -0.04 0.29 -0.15 -1.28 -1.14 0.00 0.00 176.83 174.51 2hfq h SER 42 N 0.12 0.45 1.53 3.07 0.87 -0.50 -3.20 113.55 115.89 2hfq h SER 42 Ca 0.02 -0.46 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 2hfq h SER 42 Cb 0.36 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2hfq h SER 42 CO 0.02 0.82 -0.32 0.16 -0.53 0.00 0.00 176.83 176.98 2hfq h ILE 43 N 0.09 0.57 0.00 2.23 3.07 -1.01 -3.47 117.51 118.99 2hfq h ILE 43 Ca 0.03 -1.70 0.00 0.00 1.55 0.00 0.00 64.86 64.74 2hfq h ILE 43 Cb 0.68 2.20 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 2hfq h ILE 43 CO 0.04 0.31 0.00 0.61 -1.05 0.00 0.00 178.15 178.06 2hfq n GLY 44 N 1.01 1.60 2.03 0.16 0.00 0.34 -5.00 105.19 105.33 2hfq n GLY 44 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.91 0.07 1.61 -0.58 0.40 -4.49 120.64 119.56 2hfq n GLU 45 Ca 0.00 -1.26 0.05 0.00 -0.42 0.00 0.00 57.16 55.53 2hfq n GLU 45 Cb 0.00 -1.82 0.47 0.00 -0.57 0.00 0.00 31.44 29.52 2hfq n GLU 45 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2hfq h GLU 46 N 2.47 0.38 -0.92 3.49 4.11 -1.80 -1.95 114.58 120.36 2hfq h GLU 46 Ca 0.22 -0.03 -0.37 0.00 0.07 0.00 0.00 59.36 59.26 2hfq h GLU 46 Cb 1.14 -0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.09 2hfq h GLU 46 CO 0.43 0.27 0.47 0.41 0.07 0.00 0.00 179.01 180.66 2hfq n GLY 47 N -1.43 3.95 3.76 1.06 0.00 -1.26 -4.80 105.19 106.47 2hfq n GLY 47 Ca 0.01 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.89 3.33 -0.43 4.61 0.00 -0.73 -4.95 121.76 120.69 2hfq s ALA 48 Ca 0.51 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 2hfq s ALA 48 Cb 0.42 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2hfq s ALA 48 CO 0.11 0.01 1.90 0.99 0.00 0.00 0.00 175.76 178.77 2hfq s THR 49 N -1.27 3.37 -0.36 0.00 2.01 -1.26 -4.93 115.64 113.19 2hfq s THR 49 Ca 0.45 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.78 2hfq s THR 49 Cb -0.27 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.71 2hfq s THR 49 CO 0.34 -0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 2hfq s VAL 50 N 8.20 1.20 0.00 3.82 1.01 -1.26 -4.58 120.40 128.80 2hfq s VAL 50 Ca 0.79 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2hfq s VAL 50 Cb -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2hfq s VAL 50 CO 0.29 -0.76 0.00 0.35 0.00 0.00 0.00 175.10 174.98 2hfq n THR 51 N 4.29 0.00 0.44 3.92 -2.24 -1.26 -4.91 114.28 114.52 2hfq n THR 51 Ca 0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 2hfq n THR 51 Cb 0.39 -0.51 0.27 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.41 0.00 0.00 3.42 7.64 -1.26 -1.59 113.62 120.42 2hfq n SER 52 Ca 0.00 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 2hfq n SER 52 Cb 0.00 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.08 0.08 1.43 5.08 -1.99 -3.38 114.58 115.87 2hfq h GLU 53 Ca 0.00 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2hfq h GLU 53 Cb 0.20 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2hfq h GLU 53 CO 0.00 0.74 -0.55 0.93 -1.00 0.00 0.00 179.01 179.13 2hfq h GLU 54 N 0.02 0.17 -3.81 2.33 3.07 -1.62 -3.40 114.58 111.34 2hfq h GLU 54 Ca -0.28 -0.29 -0.78 0.00 -0.50 0.00 0.00 59.36 57.51 2hfq h GLU 54 Cb 2.00 0.11 -0.27 0.00 -0.84 0.00 0.00 28.75 29.75 2hfq h GLU 54 CO 0.10 1.14 0.05 0.00 -1.40 0.00 0.00 179.01 178.89 2hfq s ARG 56 N 0.17 2.78 -0.58 0.00 0.52 -1.26 -4.65 118.95 115.93 2hfq s ARG 56 Ca 0.17 -0.90 -0.28 0.00 -0.52 0.00 0.00 55.73 54.20 2hfq s ARG 56 Cb -0.12 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.79 2hfq s ARG 56 CO -0.08 0.49 1.25 0.12 0.02 0.00 0.00 175.30 177.10 2hfq s PHE 57 N -1.70 2.52 -0.06 -0.53 5.36 -1.26 -3.78 117.98 118.52 2hfq s PHE 57 Ca 0.30 0.42 -0.11 0.00 -0.96 0.00 0.00 56.93 56.58 2hfq s PHE 57 Cb -0.10 -4.49 -0.07 0.00 -0.34 0.00 0.00 43.02 38.02 2hfq s PHE 57 CO 0.22 -1.70 0.46 0.00 -1.46 0.00 0.00 175.22 172.74 2hfq s HIS 59 N -2.76 0.01 -0.08 0.00 -3.43 -1.21 -5.03 115.29 102.80 2hfq s HIS 59 Ca -0.06 -0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.18 2hfq s HIS 59 Cb 0.00 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 2hfq s HIS 59 CO 0.20 -0.13 -0.23 -1.12 -2.00 0.00 0.00 174.74 171.46 2hfq s SER 60 N -3.89 3.24 0.22 7.38 0.01 -1.26 -0.39 113.70 119.01 2hfq s SER 60 Ca 0.31 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.12 2hfq s SER 60 Cb -0.00 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 2hfq s SER 60 CO -0.02 0.22 0.12 -1.84 0.41 0.00 0.00 173.24 172.13 2hfq n GLU 61 N 3.11 0.53 -2.63 12.44 0.28 -0.77 -4.90 120.64 128.69 2hfq n GLU 61 Ca -0.18 -1.96 -0.41 0.00 -0.16 0.00 0.00 57.16 54.45 2hfq n GLU 61 Cb 0.52 1.28 -0.04 0.00 1.43 0.00 0.00 31.44 34.63 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 -2.85 4.65 -0.28 3.44 1.02 -1.26 -0.82 119.74 123.65 2hfq s LYS 62 Ca 0.16 1.57 -0.24 0.00 0.02 0.00 0.00 55.97 57.49 2hfq s LYS 62 Cb 0.01 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2hfq s LYS 62 CO 0.12 0.15 0.80 0.00 -0.92 0.00 0.00 175.35 175.49 2hfq s ALA 63 N -0.08 3.58 0.55 5.17 0.00 0.94 -4.81 121.76 127.11 2hfq s ALA 63 Ca 0.48 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 2hfq s ALA 63 Cb -0.26 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2hfq s ALA 63 CO 0.32 -1.07 1.17 -2.14 0.00 0.00 0.00 175.76 174.04 2hfq s PRO 64 N 2.90 3.26 0.09 0.00 0.02 -1.26 -4.59 135.00 135.41 2hfq s PRO 64 Ca 0.33 1.74 0.11 0.00 0.02 0.00 0.00 61.00 63.20 2hfq s PRO 64 Cb -0.15 -2.04 0.52 0.00 0.02 0.00 0.00 34.50 32.85 2hfq s PRO 64 CO 0.10 -0.95 1.35 -0.25 -0.33 0.00 0.00 177.00 176.92 2hfq n ASP 65 N -1.29 0.19 -0.07 2.53 9.92 -1.26 -1.64 116.55 124.92 2hfq n ASP 65 Ca 0.12 0.57 -0.07 0.00 -0.53 0.00 0.00 54.79 54.88 2hfq n ASP 65 Cb 0.50 -0.60 0.11 0.00 -0.64 0.00 0.00 41.12 40.49 2hfq n ASP 65 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2hfq h GLU 66 N 0.00 0.73 0.00 -1.24 4.39 -2.03 -3.22 114.58 113.22 2hfq h GLU 66 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2hfq h GLU 66 Cb 0.12 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2hfq h GLU 66 CO 0.00 0.89 -0.83 1.33 -1.16 0.00 0.00 179.01 179.23 2hfq n VAL 67 N -4.12 0.01 0.35 3.13 0.24 -0.66 -4.32 118.33 112.97 2hfq n VAL 67 Ca 0.00 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.34 62.10 2hfq n VAL 67 Cb 0.42 0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.37 -0.77 1.34 1.08 -1.55 -0.48 117.51 117.50 2hfq h ILE 68 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 2hfq h ILE 68 Cb 0.52 0.37 -0.08 0.00 -3.07 0.00 0.00 36.82 34.56 2hfq h ILE 68 CO 0.00 0.00 0.37 -0.33 -0.69 0.00 0.00 178.15 177.50 2hfq h GLU 69 N -0.86 0.57 0.07 2.37 4.39 -1.76 -0.47 114.58 118.89 2hfq h GLU 69 Ca -0.09 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2hfq h GLU 69 Cb 0.66 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2hfq h GLU 69 CO 0.14 0.38 -0.03 0.00 -1.16 0.00 0.00 179.01 178.33 2hfq h ALA 70 N 1.50 -0.10 -0.09 3.43 0.00 -1.65 0.12 119.26 122.47 2hfq h ALA 70 Ca 0.40 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2hfq h ALA 70 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hfq h ALA 70 CO -0.33 -0.49 -0.56 0.82 0.00 0.00 0.00 179.25 178.70 2hfq h ILE 71 N -0.23 1.37 -0.20 0.00 2.04 -0.90 0.16 117.51 119.74 2hfq h ILE 71 Ca -0.01 -1.87 -0.19 0.00 1.00 0.00 0.00 64.86 63.79 2hfq h ILE 71 Cb 0.19 1.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2hfq h ILE 71 CO 0.02 0.55 -0.63 0.50 0.00 0.00 0.00 178.15 178.59 2hfq h LYS 72 N 0.20 0.79 0.00 2.37 3.64 -0.95 -2.12 116.57 120.49 2hfq h LYS 72 Ca 0.00 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2hfq h LYS 72 Cb 1.04 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2hfq h LYS 72 CO 0.09 1.19 -0.29 0.37 -2.27 0.00 0.00 179.45 178.55 2hfq h GLN 73 N 0.53 0.00 0.00 1.90 4.15 -0.70 -3.41 115.11 117.58 2hfq h GLN 73 Ca -0.02 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.15 2hfq h GLN 73 Cb 1.25 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 2hfq h GLN 73 CO 0.13 0.00 -1.56 -0.91 -1.93 0.00 0.00 178.83 174.57 2hfq h ASN 74 N -0.95 0.00 0.00 -0.69 2.35 -0.91 -3.48 115.58 111.90 2hfq h ASN 74 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2hfq h ASN 74 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2hfq h ASN 74 CO 0.00 0.87 0.00 0.61 -1.65 0.00 0.00 177.43 177.26 2hfq n GLY 75 N 1.49 0.20 3.39 2.83 0.00 -0.57 -4.99 105.19 107.54 2hfq n GLY 75 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 -0.41 -0.15 1.61 1.13 -1.23 -4.74 117.35 111.56 2hfq s TYR 76 Ca 0.00 0.52 -0.04 0.00 -1.41 0.00 0.00 57.07 56.14 2hfq s TYR 76 Cb 0.00 0.31 0.05 0.00 -1.10 0.00 0.00 41.96 41.23 2hfq s TYR 76 CO 0.00 -0.60 0.07 0.12 -2.51 0.00 0.00 175.55 172.63 2hfq s PHE 77 N -2.15 0.35 -0.39 -3.49 5.36 -0.30 -4.29 117.98 113.07 2hfq s PHE 77 Ca -0.07 -0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 55.38 2hfq s PHE 77 Cb -0.01 -0.72 0.01 0.00 -0.34 0.00 0.00 43.02 41.96 2hfq s PHE 77 CO 0.01 -0.47 0.66 0.42 -1.46 0.00 0.00 175.22 174.38 2hfq s ILE 78 N 2.08 4.84 -0.31 3.12 1.09 -1.26 -0.08 121.20 130.68 2hfq s ILE 78 Ca 0.02 0.46 -0.15 0.00 -1.10 0.00 0.00 60.65 59.88 2hfq s ILE 78 Cb -0.15 -4.14 -0.02 0.00 -1.06 0.00 0.00 42.46 37.08 2hfq s ILE 78 CO -0.08 -0.44 0.38 -0.47 -0.10 0.00 0.00 174.94 174.24 2hfq s TYR 79 N 2.82 3.22 -1.17 3.97 5.04 0.26 -4.96 117.35 126.53 2hfq s TYR 79 Ca 0.25 0.19 -0.22 0.00 -2.44 0.00 0.00 57.07 54.85 2hfq s TYR 79 Cb -0.14 -2.66 -0.03 0.00 0.35 0.00 0.00 41.96 39.48 2hfq s TYR 79 CO 0.17 -0.36 1.85 0.15 -1.34 0.00 0.00 175.55 176.02 2hfq s LYS 80 N 2.09 2.97 0.00 4.97 1.02 -1.26 -1.17 119.74 128.36 2hfq s LYS 80 Ca 0.14 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.86 2hfq s LYS 80 Cb -0.16 -5.31 0.00 0.00 -0.52 0.00 0.00 37.83 31.84 2hfq s LYS 80 CO 0.11 -3.33 0.70 -0.12 -0.92 0.00 0.00 175.35 171.79 2hfq n MET 81 N 8.43 0.00 0.00 1.68 0.00 -1.26 -4.79 117.12 121.18 2hfq n MET 81 Ca 0.44 0.21 0.00 0.00 -0.00 0.00 0.00 57.70 58.35 2hfq n MET 81 Cb 0.47 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.48 2hfq n MET 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2hfq n GLU 82 N -1.12 0.00 0.11 2.12 4.07 -1.24 -4.89 120.64 119.71 2hfq n GLU 82 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2hfq n GLU 82 Cb 0.00 -0.12 0.34 0.00 -0.06 0.00 0.00 31.44 31.60 2hfq n GLU 82 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2hfq h GLY 83 N 0.00 0.24 0.00 8.31 0.00 -1.28 -3.42 103.07 106.93 2hfq h GLY 83 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2hfq h GLY 83 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.70