#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 1.86 -0.16 2.12 0.74 -1.26 -4.48 119.66 118.48 2hfq s GLN 2 Ca 0.00 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 2hfq s GLN 2 Cb 0.00 -1.70 -0.01 0.00 1.10 0.00 0.00 33.01 32.41 2hfq s GLN 2 CO 0.00 -0.14 1.09 0.96 -0.55 0.00 0.00 175.29 176.65 2hfq s ILE 3 N 1.23 4.59 -0.12 -2.34 -4.36 -1.21 -4.13 121.20 114.85 2hfq s ILE 3 Ca -0.03 1.89 -0.20 0.00 -0.26 0.00 0.00 60.65 62.05 2hfq s ILE 3 Cb -0.14 -4.22 -0.04 0.00 1.25 0.00 0.00 42.46 39.31 2hfq s ILE 3 CO -0.04 -0.10 0.58 -1.00 0.24 0.00 0.00 174.94 174.62 2hfq s HIS 4 N 2.78 3.50 -0.53 1.37 3.76 0.14 -2.38 115.29 123.92 2hfq s HIS 4 Ca 0.49 1.00 -0.19 0.00 -0.15 0.00 0.00 55.06 56.20 2hfq s HIS 4 Cb -0.18 -2.68 0.07 0.00 1.11 0.00 0.00 32.58 30.90 2hfq s HIS 4 CO 0.13 0.06 0.65 0.08 -0.85 0.00 0.00 174.74 174.81 2hfq s VAL 5 N 0.99 4.85 -0.53 -0.90 1.01 0.12 -2.59 120.40 123.35 2hfq s VAL 5 Ca 0.30 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2hfq s VAL 5 Cb -0.16 -4.36 0.10 0.00 0.00 0.00 0.00 36.38 31.96 2hfq s VAL 5 CO 0.13 -0.91 0.55 -0.31 0.00 0.00 0.00 175.10 174.56 2hfq s TYR 6 N 2.66 3.14 -0.28 5.22 2.02 -0.67 -2.16 117.35 127.29 2hfq s TYR 6 Ca 0.14 -0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 55.57 2hfq s TYR 6 Cb -0.21 -3.66 -0.02 0.00 -0.40 0.00 0.00 41.96 37.67 2hfq s TYR 6 CO 0.10 -1.04 1.65 0.34 -1.57 0.00 0.00 175.55 175.02 2hfq s ASP 7 N 3.21 6.22 -0.25 2.29 -1.08 0.95 -1.82 116.67 126.19 2hfq s ASP 7 Ca 0.08 1.42 -0.04 0.00 -0.52 0.00 0.00 52.55 53.49 2hfq s ASP 7 Cb -0.25 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.69 2hfq s ASP 7 CO 0.06 -1.42 -0.01 -0.89 0.52 0.00 0.00 175.17 173.43 2hfq s THR 8 N 5.74 3.33 -0.44 1.71 2.01 -1.02 -0.25 115.64 126.74 2hfq s THR 8 Ca 0.73 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2hfq s THR 8 Cb -0.23 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.66 2hfq s THR 8 CO 0.31 0.23 0.47 -0.31 -0.69 0.00 0.00 174.62 174.63 2hfq s TYR 9 N 1.42 3.15 -0.36 4.92 2.02 0.11 -2.97 117.35 125.65 2hfq s TYR 9 Ca 0.02 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.23 2hfq s TYR 9 Cb -0.16 -3.02 0.04 0.00 -0.40 0.00 0.00 41.96 38.42 2hfq s TYR 9 CO -0.02 -0.76 0.15 0.08 -1.57 0.00 0.00 175.55 173.43 2hfq s VAL 10 N 2.20 4.04 -1.21 0.71 1.01 0.42 -4.70 120.40 122.87 2hfq s VAL 10 Ca 0.12 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 2hfq s VAL 10 Cb -0.18 -3.30 0.14 0.00 0.00 0.00 0.00 36.38 33.05 2hfq s VAL 10 CO 0.13 -0.23 1.48 -0.54 0.00 0.00 0.00 175.10 175.95 2hfq s LYS 11 N 1.44 4.03 -0.49 2.72 -0.14 -1.26 0.19 119.74 126.23 2hfq s LYS 11 Ca -0.00 -2.38 -0.26 0.00 -1.36 0.00 0.00 55.97 51.97 2hfq s LYS 11 Cb -0.20 -5.17 0.03 0.00 -1.68 0.00 0.00 37.83 30.82 2hfq s LYS 11 CO 0.04 -1.88 0.98 0.00 -0.76 0.00 0.00 175.35 173.72 2hfq s ALA 12 N 2.29 3.19 0.05 5.17 0.00 -1.20 -4.17 121.76 127.09 2hfq s ALA 12 Ca 0.45 -0.84 -0.36 0.00 0.00 0.00 0.00 51.96 51.21 2hfq s ALA 12 Cb -0.01 -3.73 -0.20 0.00 0.00 0.00 0.00 23.12 19.18 2hfq s ALA 12 CO 0.01 -2.20 1.51 -0.22 0.00 0.00 0.00 175.76 174.86 2hfq h LYS 13 N 9.19 -1.20 0.03 0.00 3.64 -1.87 -1.90 116.57 124.46 2hfq h LYS 13 Ca -0.24 0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.00 2hfq h LYS 13 Cb 1.07 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2hfq h LYS 13 CO 1.07 -0.80 -0.99 0.38 -2.27 0.00 0.00 179.45 176.84 2hfq h ASP 14 N -1.28 0.13 0.00 4.20 2.03 -1.92 -3.42 116.42 116.16 2hfq h ASP 14 Ca -0.13 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2hfq h ASP 14 Cb 0.95 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 2hfq h ASP 14 CO 0.21 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 180.07 2hfq n GLY 15 N 1.20 1.51 3.54 7.15 0.00 -1.21 -5.10 105.19 112.28 2hfq n GLY 15 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.51 -0.48 1.61 -3.43 -0.72 -4.99 115.29 106.77 2hfq s HIS 16 Ca 0.00 0.82 -0.27 0.00 -0.80 0.00 0.00 55.06 54.80 2hfq s HIS 16 Cb 0.00 0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 31.57 2hfq s HIS 16 CO 0.00 -0.51 1.87 0.08 -2.00 0.00 0.00 174.74 174.17 2hfq s VAL 17 N -1.46 3.39 -0.02 -5.38 1.01 -1.25 -3.22 120.40 113.47 2hfq s VAL 17 Ca -0.05 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 2hfq s VAL 17 Cb -0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2hfq s VAL 17 CO 0.04 -0.62 0.73 -0.04 0.00 0.00 0.00 175.10 175.21 2hfq s MET 18 N 6.49 4.45 -0.33 2.72 -1.94 0.13 -4.79 119.30 126.03 2hfq s MET 18 Ca 0.75 0.96 0.02 0.00 -1.71 0.00 0.00 55.69 55.71 2hfq s MET 18 Cb -0.17 -3.41 0.10 0.00 2.01 0.00 0.00 34.83 33.36 2hfq s MET 18 CO 0.27 0.15 0.08 -1.58 -0.01 0.00 0.00 175.02 173.92 2hfq s HIS 19 N 0.48 2.87 0.05 -0.03 2.46 -1.13 -0.44 115.29 119.54 2hfq s HIS 19 Ca 0.38 -2.48 0.05 0.00 0.47 0.00 0.00 55.06 53.48 2hfq s HIS 19 Cb -0.19 -2.40 -0.02 0.00 -0.13 0.00 0.00 32.58 29.84 2hfq s HIS 19 CO 0.20 -0.91 -0.13 -0.59 -2.47 0.00 0.00 174.74 170.84 2hfq s PHE 20 N 1.16 1.15 -0.27 3.88 -0.12 -1.16 0.45 117.98 123.07 2hfq s PHE 20 Ca 0.11 -0.40 -0.14 0.00 -0.05 0.00 0.00 56.93 56.45 2hfq s PHE 20 Cb -0.19 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2hfq s PHE 20 CO -0.15 0.03 0.35 -0.51 -0.05 0.00 0.00 175.22 174.90 2hfq s ASP 21 N -1.36 6.23 -0.45 1.98 1.11 -0.14 -2.43 116.67 121.61 2hfq s ASP 21 Ca -0.01 0.26 -0.23 0.00 0.18 0.00 0.00 52.55 52.75 2hfq s ASP 21 Cb -0.09 -2.20 0.03 0.00 1.07 0.00 0.00 42.92 41.73 2hfq s ASP 21 CO 0.01 -0.16 0.80 -0.69 1.18 0.00 0.00 175.17 176.31 2hfq s VAL 22 N 2.01 4.63 -0.29 -1.27 1.01 -0.75 -0.76 120.40 124.98 2hfq s VAL 22 Ca 0.14 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 2hfq s VAL 22 Cb -0.16 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 2hfq s VAL 22 CO 0.10 -0.73 0.45 -0.36 0.00 0.00 0.00 175.10 174.56 2hfq s PHE 23 N 3.34 3.24 0.08 5.22 0.08 0.18 -1.67 117.98 128.44 2hfq s PHE 23 Ca 0.31 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.63 2hfq s PHE 23 Cb -0.12 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2hfq s PHE 23 CO 0.23 -0.32 0.34 -0.08 -0.10 0.00 0.00 175.22 175.29 2hfq s THR 24 N 2.21 0.08 -0.42 0.64 -1.32 -1.07 -0.86 115.64 114.90 2hfq s THR 24 Ca 0.18 -0.68 0.23 0.00 -1.21 0.00 0.00 61.69 60.21 2hfq s THR 24 Cb -0.16 -1.10 0.23 0.00 -1.51 0.00 0.00 72.50 69.96 2hfq s THR 24 CO 0.10 -0.38 1.46 -0.78 -2.21 0.00 0.00 174.62 172.82 2hfq h ASP 25 N 2.77 0.00 -2.38 8.08 1.82 -1.86 0.40 116.42 125.24 2hfq h ASP 25 Ca -0.33 -0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 55.74 2hfq h ASP 25 Cb 1.22 0.00 0.04 0.00 0.68 0.00 0.00 39.33 41.28 2hfq h ASP 25 CO 0.48 0.01 1.01 0.52 -1.61 0.00 0.00 179.24 179.65 2hfq n VAL 26 N -2.85 0.26 -0.82 2.25 0.31 -1.26 -4.81 118.33 111.39 2hfq n VAL 26 Ca 0.03 -0.05 -0.03 0.00 -0.01 0.00 0.00 64.34 64.28 2hfq n VAL 26 Cb 0.52 -1.92 0.30 0.00 -0.91 0.00 0.00 33.84 31.84 2hfq n VAL 26 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2hfq n ARG 27 N 5.00 3.74 -4.77 5.55 1.74 -1.26 -4.84 116.66 121.82 2hfq n ARG 27 Ca 0.18 -2.82 -0.33 0.00 -0.77 0.00 0.00 57.85 54.11 2hfq n ARG 27 Cb 0.34 -2.16 -0.12 0.00 -1.02 0.00 0.00 32.46 29.50 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 -0.83 4.31 -0.05 0.55 -1.08 -1.26 -5.04 116.67 113.27 2hfq s ASP 28 Ca 0.50 -0.12 -0.24 0.00 -0.52 0.00 0.00 52.55 52.18 2hfq s ASP 28 Cb 0.40 -1.01 -0.24 0.00 -1.46 0.00 0.00 42.92 40.60 2hfq s ASP 28 CO 0.13 0.35 1.02 -2.24 0.52 0.00 0.00 175.17 174.95 2hfq h ASP 29 N 5.34 0.26 0.97 -0.34 2.03 -1.98 -2.94 116.42 119.76 2hfq h ASP 29 Ca -0.47 -0.79 -0.09 0.00 -0.73 0.00 0.00 57.03 54.95 2hfq h ASP 29 Cb 1.16 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 2hfq h ASP 29 CO 0.51 1.03 -0.43 0.07 -1.03 0.00 0.00 179.24 179.39 2hfq h LYS 30 N -0.47 0.00 -0.40 4.15 2.10 -1.96 -0.56 116.57 119.43 2hfq h LYS 30 Ca -0.04 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.55 2hfq h LYS 30 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2hfq h LYS 30 CO 0.06 0.43 0.03 0.87 -2.00 0.00 0.00 179.45 178.84 2hfq h LYS 31 N 0.00 0.69 -0.67 0.07 1.79 -1.99 -0.12 116.57 116.33 2hfq h LYS 31 Ca -0.00 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 2hfq h LYS 31 Cb 1.03 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2hfq h LYS 31 CO 0.06 0.76 0.25 0.00 -1.08 0.00 0.00 179.45 179.44 2hfq h ALA 32 N 0.90 1.18 -0.23 3.86 0.00 -1.23 -1.26 119.26 122.49 2hfq h ALA 32 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2hfq h ALA 32 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2hfq h ALA 32 CO 0.01 0.59 0.08 0.82 0.00 0.00 0.00 179.25 180.76 2hfq h ILE 33 N 0.97 0.95 -0.55 0.00 2.04 -0.87 -1.93 117.51 118.12 2hfq h ILE 33 Ca 0.23 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.07 2hfq h ILE 33 Cb 0.21 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2hfq h ILE 33 CO -0.02 0.04 0.27 -0.33 0.00 0.00 0.00 178.15 178.11 2hfq h GLU 34 N 0.19 0.50 -0.65 2.37 5.08 -0.48 0.27 114.58 121.86 2hfq h GLU 34 Ca 0.10 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2hfq h GLU 34 Cb 0.06 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2hfq h GLU 34 CO -0.10 0.33 0.34 0.74 -1.00 0.00 0.00 179.01 179.32 2hfq h PHE 35 N 0.52 0.62 -0.37 4.33 0.04 -0.86 0.96 116.94 122.16 2hfq h PHE 35 Ca 0.25 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.95 2hfq h PHE 35 Cb 0.19 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2hfq h PHE 35 CO -0.11 0.27 -0.14 0.00 -0.60 0.00 0.00 178.31 177.74 2hfq h ALA 36 N 1.36 0.52 -0.60 2.45 0.00 -0.77 -3.09 119.26 119.12 2hfq h ALA 36 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2hfq h ALA 36 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2hfq h ALA 36 CO -0.21 0.42 0.28 0.87 0.00 0.00 0.00 179.25 180.61 2hfq h LYS 37 N 0.54 0.85 -0.63 0.00 1.57 -0.20 0.06 116.57 118.76 2hfq h LYS 37 Ca 0.09 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2hfq h LYS 37 Cb 0.67 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2hfq h LYS 37 CO 0.05 0.67 0.42 1.96 -0.57 0.00 0.00 179.45 181.97 2hfq h GLN 38 N 0.85 0.76 0.16 3.15 1.08 -0.76 -1.84 115.11 118.52 2hfq h GLN 38 Ca 0.21 -0.05 -0.27 0.00 -1.45 0.00 0.00 58.65 57.10 2hfq h GLN 38 Cb 0.11 -0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2hfq h GLN 38 CO -0.03 0.50 -1.26 2.35 -0.95 0.00 0.00 178.83 179.45 2hfq h TRP 39 N 0.78 0.62 -0.49 2.96 7.01 -1.25 -3.26 115.95 122.33 2hfq h TRP 39 Ca 0.25 -0.45 0.03 0.00 2.11 0.00 0.00 58.89 60.82 2hfq h TRP 39 Cb 0.02 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2hfq h TRP 39 CO -0.00 1.49 0.28 -0.07 -2.79 0.00 0.00 178.44 177.35 2hfq h LEU 40 N -0.19 0.44 -1.34 0.65 3.38 -0.88 -1.22 115.31 116.15 2hfq h LEU 40 Ca -0.24 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2hfq h LEU 40 Cb 1.84 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2hfq h LEU 40 CO 0.15 0.31 -0.24 0.77 0.09 0.00 0.00 178.44 179.52 2hfq h SER 41 N 0.56 0.00 0.64 -0.43 4.64 -1.47 -1.22 113.55 116.26 2hfq h SER 41 Ca 0.20 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.28 2hfq h SER 41 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2hfq h SER 41 CO -0.11 0.24 -1.51 0.77 -0.87 0.00 0.00 176.83 175.35 2hfq h SER 42 N 0.00 0.00 0.81 4.97 4.64 -1.48 -3.34 113.55 119.15 2hfq h SER 42 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 2hfq h SER 42 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2hfq h SER 42 CO 0.03 0.87 -1.15 0.16 -0.87 0.00 0.00 176.83 175.87 2hfq h ILE 43 N 0.00 1.56 0.00 0.95 3.07 -1.05 -3.48 117.51 118.56 2hfq h ILE 43 Ca -0.21 -3.22 0.00 0.00 1.55 0.00 0.00 64.86 62.97 2hfq h ILE 43 Cb 1.85 2.86 0.00 0.00 -0.27 0.00 0.00 36.82 41.26 2hfq h ILE 43 CO 0.08 0.92 0.00 0.61 -1.05 0.00 0.00 178.15 178.70 2hfq n GLY 44 N 1.45 0.95 2.29 0.16 0.00 -0.48 -5.00 105.19 104.57 2hfq n GLY 44 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.89 3.25 -2.73 1.61 -0.58 -1.11 -4.91 120.64 115.29 2hfq n GLU 45 Ca 0.00 -1.92 -0.27 0.00 -0.42 0.00 0.00 57.16 54.55 2hfq n GLU 45 Cb 0.00 -2.63 -0.00 0.00 -0.57 0.00 0.00 31.44 28.24 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 2.12 3.54 0.00 3.49 -6.30 -1.26 -4.46 118.70 115.84 2hfq s GLU 46 Ca 0.66 0.14 0.00 0.00 -2.50 0.00 0.00 54.97 53.27 2hfq s GLU 46 Cb 0.19 -2.41 0.00 0.00 0.00 0.00 0.00 34.13 31.91 2hfq s GLU 46 CO -0.05 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2hfq n GLY 47 N -2.17 1.94 3.80 -1.50 0.00 -1.26 -4.79 105.19 101.22 2hfq n GLY 47 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.96 3.64 -0.22 4.61 0.00 -1.26 -4.87 121.76 121.70 2hfq s ALA 48 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2hfq s ALA 48 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2hfq s ALA 48 CO 0.00 0.65 0.10 0.99 0.00 0.00 0.00 175.76 177.50 2hfq s THR 49 N -1.08 4.91 -0.37 0.00 2.01 -1.26 -5.00 115.64 114.84 2hfq s THR 49 Ca 0.18 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 2hfq s THR 49 Cb -0.12 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.19 2hfq s THR 49 CO 0.08 0.39 0.17 -0.69 -0.69 0.00 0.00 174.62 173.88 2hfq s VAL 50 N 0.92 3.91 0.00 3.82 1.01 -1.26 -4.87 120.40 123.94 2hfq s VAL 50 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2hfq s VAL 50 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2hfq s VAL 50 CO 0.03 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.15 2hfq n THR 51 N 4.83 0.00 1.33 3.92 -2.24 -1.26 -4.94 114.28 115.92 2hfq n THR 51 Ca -0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 2hfq n THR 51 Cb 0.44 -0.43 0.68 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.86 0.00 0.02 3.42 7.64 -1.26 -1.22 113.62 121.35 2hfq n SER 52 Ca 0.00 -0.30 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 2hfq n SER 52 Cb 0.00 -0.20 -0.13 0.00 -1.01 0.00 0.00 64.21 62.87 2hfq n SER 52 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hfq h GLU 53 N 0.00 0.00 0.00 1.43 4.81 -1.97 -3.38 114.58 115.46 2hfq h GLU 53 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2hfq h GLU 53 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2hfq h GLU 53 CO 0.00 0.71 -0.54 0.93 -0.73 0.00 0.00 179.01 179.39 2hfq h GLU 54 N 0.00 0.00 -4.53 1.92 3.07 -1.66 -3.44 114.58 109.95 2hfq h GLU 54 Ca -0.15 -0.01 -0.72 0.00 -0.50 0.00 0.00 59.36 57.99 2hfq h GLU 54 Cb 1.88 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 29.57 2hfq h GLU 54 CO 0.10 1.00 -0.46 0.00 -1.40 0.00 0.00 179.01 178.25 2hfq s ARG 56 N 1.63 2.91 -0.29 0.00 0.52 0.66 -4.40 118.95 119.98 2hfq s ARG 56 Ca 0.04 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 2hfq s ARG 56 Cb -0.19 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 2hfq s ARG 56 CO 0.09 0.27 1.47 0.12 0.02 0.00 0.00 175.30 177.28 2hfq s PHE 57 N 0.12 2.35 -0.07 -0.53 5.36 -1.26 -0.04 117.98 123.91 2hfq s PHE 57 Ca -0.11 0.69 -0.09 0.00 -0.96 0.00 0.00 56.93 56.46 2hfq s PHE 57 Cb -0.16 -4.02 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2hfq s PHE 57 CO 0.06 -2.31 -0.18 0.00 -1.46 0.00 0.00 175.22 171.33 2hfq s HIS 59 N -2.20 1.53 0.06 0.00 -3.43 -1.23 -5.03 115.29 105.00 2hfq s HIS 59 Ca -0.15 -1.55 -0.01 0.00 -0.80 0.00 0.00 55.06 52.55 2hfq s HIS 59 Cb 0.02 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 2hfq s HIS 59 CO 0.22 -1.01 -0.03 -1.12 -2.00 0.00 0.00 174.74 170.80 2hfq s SER 60 N -3.34 0.58 0.36 7.38 0.01 -1.26 0.15 113.70 117.58 2hfq s SER 60 Ca 0.37 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.46 2hfq s SER 60 Cb 0.01 0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.47 2hfq s SER 60 CO 0.26 -0.58 0.76 -1.83 0.41 0.00 0.00 173.24 172.26 2hfq s GLU 61 N -3.91 2.13 0.39 12.44 -1.05 -1.00 -4.97 118.70 122.73 2hfq s GLU 61 Ca 0.08 -1.36 -0.27 0.00 -0.15 0.00 0.00 54.97 53.27 2hfq s GLU 61 Cb 0.08 0.61 -0.11 0.00 -0.44 0.00 0.00 34.13 34.27 2hfq s GLU 61 CO -0.09 -0.99 1.35 0.36 0.95 0.00 0.00 175.26 176.84 2hfq n LYS 62 N -0.52 2.21 -3.86 -4.83 2.85 -1.26 -3.30 118.16 109.46 2hfq n LYS 62 Ca -0.07 0.78 -0.36 0.00 -1.05 0.00 0.00 58.31 57.61 2hfq n LYS 62 Cb 0.60 -2.46 -0.13 0.00 -0.65 0.00 0.00 35.03 32.38 2hfq n LYS 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hfq s ALA 63 N -1.15 2.91 0.61 0.58 0.00 -1.26 -4.82 121.76 118.63 2hfq s ALA 63 Ca 0.57 -1.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 2hfq s ALA 63 Cb -0.51 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 2hfq s ALA 63 CO 0.61 -1.37 1.21 -1.25 0.00 0.00 0.00 175.76 174.97 2hfq s PRO 64 N 1.26 2.86 0.58 0.00 0.04 -1.26 -4.82 135.00 133.66 2hfq s PRO 64 Ca -0.02 1.83 0.28 0.00 0.04 0.00 0.00 61.00 63.13 2hfq s PRO 64 Cb -0.20 -1.91 1.68 0.00 0.04 0.00 0.00 34.50 34.11 2hfq s PRO 64 CO -0.01 -1.30 2.16 0.38 0.04 0.00 0.00 177.00 178.27 2hfq h ASP 65 N 0.73 0.00 -0.50 6.66 2.03 -1.98 -1.08 116.42 122.28 2hfq h ASP 65 Ca -0.50 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 2hfq h ASP 65 Cb 1.30 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.78 2hfq h ASP 65 CO 0.54 0.00 0.27 -0.08 -1.03 0.00 0.00 179.24 178.94 2hfq h GLU 66 N 0.00 0.70 0.00 4.15 4.57 -2.01 -1.58 114.58 120.41 2hfq h GLU 66 Ca 0.05 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2hfq h GLU 66 Cb 0.30 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2hfq h GLU 66 CO -0.00 0.55 -0.57 -0.39 -1.18 0.00 0.00 179.01 177.42 2hfq h VAL 67 N 0.66 0.55 0.21 0.32 -1.51 -1.60 -3.22 116.25 111.66 2hfq h VAL 67 Ca 0.17 -1.82 -0.00 0.00 -1.23 0.00 0.00 66.70 63.82 2hfq h VAL 67 Cb 0.05 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 2hfq h VAL 67 CO -0.03 0.32 -0.15 0.40 -1.23 0.00 0.00 177.57 176.87 2hfq h ILE 68 N 0.00 0.67 -0.18 7.19 1.08 -0.89 -1.56 117.51 123.82 2hfq h ILE 68 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2hfq h ILE 68 Cb 1.30 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2hfq h ILE 68 CO 0.04 0.00 0.05 -0.08 -0.69 0.00 0.00 178.15 177.48 2hfq h GLU 69 N -0.37 0.25 -0.19 2.37 4.57 -1.37 0.28 114.58 120.12 2hfq h GLU 69 Ca -0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2hfq h GLU 69 Cb 0.32 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2hfq h GLU 69 CO -0.00 0.23 -0.02 0.00 -1.18 0.00 0.00 179.01 178.03 2hfq h ALA 70 N 1.81 0.26 -0.25 2.92 0.00 -1.47 0.04 119.26 122.58 2hfq h ALA 70 Ca 0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2hfq h ALA 70 Cb 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hfq h ALA 70 CO -0.00 0.01 -0.53 0.82 0.00 0.00 0.00 179.25 179.54 2hfq h ILE 71 N 0.09 1.30 -0.35 0.00 2.04 -0.72 0.17 117.51 120.05 2hfq h ILE 71 Ca 0.05 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 2hfq h ILE 71 Cb 0.44 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2hfq h ILE 71 CO 0.01 0.55 0.21 0.50 0.00 0.00 0.00 178.15 179.43 2hfq h LYS 72 N 0.56 0.46 0.00 2.37 3.64 -0.38 0.31 116.57 123.53 2hfq h LYS 72 Ca 0.02 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2hfq h LYS 72 Cb 1.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2hfq h LYS 72 CO 0.11 0.33 -0.81 0.37 -2.27 0.00 0.00 179.45 177.18 2hfq h GLN 73 N 0.48 0.00 0.00 1.90 5.75 -0.71 -3.41 115.11 119.12 2hfq h GLN 73 Ca 0.13 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2hfq h GLN 73 Cb -0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2hfq h GLN 73 CO -0.02 0.64 -1.51 0.09 -2.65 0.00 0.00 178.83 175.37 2hfq n ASN 74 N -4.53 0.39 0.00 -0.69 3.02 0.59 -4.96 115.26 109.08 2hfq n ASN 74 Ca -0.20 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2hfq n ASN 74 Cb 0.49 1.40 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 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 1.31 3.32 3.38 7.41 0.00 0.11 -4.98 105.19 115.73 2hfq n GLY 75 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.40 -0.43 -0.26 1.61 1.13 -1.26 -4.77 117.35 110.97 2hfq s TYR 76 Ca 0.00 0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 56.45 2hfq s TYR 76 Cb 0.00 0.23 0.03 0.00 -1.10 0.00 0.00 41.96 41.12 2hfq s TYR 76 CO 0.00 -0.44 -0.05 0.12 -2.51 0.00 0.00 175.55 172.66 2hfq s PHE 77 N -0.94 3.11 -0.72 -3.49 5.36 -0.04 -4.49 117.98 116.76 2hfq s PHE 77 Ca -0.10 -1.67 -0.23 0.00 -0.96 0.00 0.00 56.93 53.97 2hfq s PHE 77 Cb -0.03 -2.06 0.07 0.00 -0.34 0.00 0.00 43.02 40.66 2hfq s PHE 77 CO 0.06 -0.76 1.08 0.42 -1.46 0.00 0.00 175.22 174.56 2hfq s ILE 78 N 1.29 4.20 -0.73 3.12 -1.09 -1.26 -0.65 121.20 126.08 2hfq s ILE 78 Ca -0.01 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 57.84 2hfq s ILE 78 Cb -0.17 -4.77 0.06 0.00 -1.58 0.00 0.00 42.46 35.99 2hfq s ILE 78 CO -0.04 -1.58 1.14 -0.47 -1.23 0.00 0.00 174.94 172.75 2hfq s TYR 79 N 4.37 2.53 -0.61 3.97 5.04 0.06 -4.96 117.35 127.74 2hfq s TYR 79 Ca 0.27 -0.42 -0.27 0.00 -2.44 0.00 0.00 57.07 54.22 2hfq s TYR 79 Cb -0.13 -4.46 -0.02 0.00 0.35 0.00 0.00 41.96 37.71 2hfq s TYR 79 CO 0.08 -1.84 1.82 0.21 -1.34 0.00 0.00 175.55 174.49 2hfq s LYS 80 N 4.73 2.68 -0.12 4.97 2.20 -1.26 -0.96 119.74 131.98 2hfq s LYS 80 Ca 0.30 0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 56.39 2hfq s LYS 80 Cb -0.11 -4.37 -0.03 0.00 -1.51 0.00 0.00 37.83 31.81 2hfq s LYS 80 CO 0.10 -2.67 -0.17 -1.33 -0.36 0.00 0.00 175.35 170.91 2hfq n MET 81 N 9.18 0.38 -4.69 4.03 2.81 -1.19 -4.87 117.12 122.76 2hfq n MET 81 Ca 0.19 0.40 -0.33 0.00 -1.81 0.00 0.00 57.70 56.16 2hfq n MET 81 Cb 0.52 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.45 2hfq n MET 81 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2hfq s GLU 82 N -2.12 3.12 0.00 0.03 2.56 0.17 -4.56 118.70 117.90 2hfq s GLU 82 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2hfq s GLU 82 Cb 0.02 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.52 2hfq s GLU 82 CO 0.21 0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.73 2hfq n GLY 83 N 2.97 0.94 3.53 -1.50 0.00 -1.26 -2.85 105.19 107.03 2hfq n GLY 83 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32