#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 -0.03 2.12 -0.21 -1.26 -0.01 119.66 124.16 2hfq s GLN 2 Ca 0.00 0.46 -0.21 0.00 0.02 0.00 0.00 55.36 55.64 2hfq s GLN 2 Cb 0.00 -3.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.21 2hfq s GLN 2 CO 0.00 -0.72 0.60 0.96 -2.12 0.00 0.00 175.29 174.00 2hfq s ILE 3 N 2.97 4.96 -0.51 1.08 -4.36 0.47 -4.67 121.20 121.14 2hfq s ILE 3 Ca 0.31 1.24 -0.22 0.00 -0.26 0.00 0.00 60.65 61.72 2hfq s ILE 3 Cb -0.14 -3.93 0.04 0.00 1.25 0.00 0.00 42.46 39.68 2hfq s ILE 3 CO 0.14 0.38 0.77 -1.00 0.24 0.00 0.00 174.94 175.47 2hfq s HIS 4 N 0.04 2.95 -0.55 1.37 3.76 0.14 -2.38 115.29 120.63 2hfq s HIS 4 Ca 0.31 -0.18 -0.23 0.00 -0.15 0.00 0.00 55.06 54.82 2hfq s HIS 4 Cb -0.18 -3.73 0.05 0.00 1.11 0.00 0.00 32.58 29.83 2hfq s HIS 4 CO 0.16 -1.12 0.86 0.08 -0.85 0.00 0.00 174.74 173.87 2hfq s VAL 5 N 3.24 4.52 -0.48 -0.90 1.01 -0.27 -2.44 120.40 125.07 2hfq s VAL 5 Ca 0.24 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2hfq s VAL 5 Cb -0.15 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 31.82 2hfq s VAL 5 CO 0.17 -1.06 0.42 -0.31 0.00 0.00 0.00 175.10 174.32 2hfq s TYR 6 N 3.59 3.24 -0.79 5.22 2.02 -0.71 -2.12 117.35 127.80 2hfq s TYR 6 Ca 0.25 -0.95 -0.26 0.00 -0.37 0.00 0.00 57.07 55.74 2hfq s TYR 6 Cb -0.15 -3.26 0.01 0.00 -0.40 0.00 0.00 41.96 38.16 2hfq s TYR 6 CO 0.16 -0.84 1.52 0.34 -1.57 0.00 0.00 175.55 175.17 2hfq s ASP 7 N 2.73 5.92 -0.21 2.29 2.15 -0.17 -0.61 116.67 128.78 2hfq s ASP 7 Ca 0.04 -0.50 -0.17 0.00 0.43 0.00 0.00 52.55 52.35 2hfq s ASP 7 Cb -0.25 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 2hfq s ASP 7 CO 0.06 -1.99 0.46 -0.89 -0.17 0.00 0.00 175.17 172.64 2hfq s THR 8 N 6.79 5.15 -0.48 1.71 2.01 -0.05 -3.30 115.64 127.47 2hfq s THR 8 Ca 0.48 0.82 -0.12 0.00 0.31 0.00 0.00 61.69 63.18 2hfq s THR 8 Cb -0.07 -3.78 0.10 0.00 0.01 0.00 0.00 72.50 68.76 2hfq s THR 8 CO 0.09 0.20 0.38 -0.31 -0.69 0.00 0.00 174.62 174.30 2hfq s TYR 9 N 1.55 3.32 -0.30 4.92 1.51 -0.21 -2.39 117.35 125.75 2hfq s TYR 9 Ca 0.21 -1.43 -0.01 0.00 -1.01 0.00 0.00 57.07 54.83 2hfq s TYR 9 Cb -0.15 -3.39 0.06 0.00 -0.11 0.00 0.00 41.96 38.36 2hfq s TYR 9 CO 0.09 -0.93 -0.01 0.08 -1.11 0.00 0.00 175.55 173.67 2hfq s VAL 10 N 1.50 2.81 -0.16 0.71 1.01 -0.72 -4.73 120.40 120.82 2hfq s VAL 10 Ca 0.04 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 2hfq s VAL 10 Cb -0.26 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2hfq s VAL 10 CO 0.02 -0.14 0.57 -0.75 0.00 0.00 0.00 175.10 174.81 2hfq s LYS 11 N 1.20 4.27 0.31 2.72 2.20 -1.26 0.33 119.74 129.51 2hfq s LYS 11 Ca -0.05 0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 55.83 2hfq s LYS 11 Cb -0.20 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.50 2hfq s LYS 11 CO -0.02 -0.08 1.16 0.00 -0.36 0.00 0.00 175.35 176.05 2hfq s ALA 12 N 1.38 3.38 0.17 3.13 0.00 0.14 -4.80 121.76 125.17 2hfq s ALA 12 Ca 0.28 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2hfq s ALA 12 Cb -0.16 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.66 2hfq s ALA 12 CO 0.11 -0.33 1.82 -0.22 0.00 0.00 0.00 175.76 177.14 2hfq h LYS 13 N 3.49 0.74 -0.50 0.00 3.64 -1.87 -3.19 116.57 118.88 2hfq h LYS 13 Ca -0.48 -0.06 -0.37 0.00 -1.27 0.00 0.00 60.65 58.48 2hfq h LYS 13 Cb 1.22 -0.16 -0.34 0.00 -0.41 0.00 0.00 32.23 32.54 2hfq h LYS 13 CO 0.66 0.53 -0.83 -0.25 -2.27 0.00 0.00 179.45 177.29 2hfq n ASP 14 N -4.66 3.46 0.00 4.20 8.00 -1.26 -4.99 116.55 121.29 2hfq n ASP 14 Ca 0.03 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.18 2hfq n ASP 14 Cb 0.05 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2hfq n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfq n GLY 15 N -0.69 3.69 3.64 0.44 0.00 -1.20 -5.18 105.19 105.88 2hfq n GLY 15 Ca 0.30 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 2.66 2.34 -0.36 1.61 -3.43 -1.26 -4.85 115.29 112.00 2hfq s HIS 16 Ca 0.00 -0.76 -0.18 0.00 -0.80 0.00 0.00 55.06 53.32 2hfq s HIS 16 Cb 0.00 -1.71 0.00 0.00 -1.43 0.00 0.00 32.58 29.44 2hfq s HIS 16 CO 0.00 0.37 0.53 0.08 -2.00 0.00 0.00 174.74 173.71 2hfq s VAL 17 N -2.79 5.00 -0.40 -5.38 1.01 -1.26 -0.68 120.40 115.90 2hfq s VAL 17 Ca 0.29 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2hfq s VAL 17 Cb 0.08 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2hfq s VAL 17 CO 0.15 -0.26 1.11 -0.04 0.00 0.00 0.00 175.10 176.06 2hfq s MET 18 N 2.43 3.90 -0.48 2.72 -1.94 0.15 -4.04 119.30 122.04 2hfq s MET 18 Ca 0.19 0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 54.88 2hfq s MET 18 Cb -0.15 -3.82 0.10 0.00 2.01 0.00 0.00 34.83 32.96 2hfq s MET 18 CO 0.14 -1.14 0.38 -1.01 -0.01 0.00 0.00 175.02 173.38 2hfq s HIS 19 N 4.06 3.31 -0.02 -0.03 3.76 0.99 -1.76 115.29 125.60 2hfq s HIS 19 Ca 0.47 -1.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.02 2hfq s HIS 19 Cb -0.10 -3.35 0.02 0.00 1.11 0.00 0.00 32.58 30.26 2hfq s HIS 19 CO 0.23 -0.91 -0.02 -0.59 -0.85 0.00 0.00 174.74 172.60 2hfq s PHE 20 N 1.52 0.42 -0.17 1.40 -0.71 -1.01 -0.47 117.98 118.96 2hfq s PHE 20 Ca 0.04 -0.06 -0.14 0.00 -1.04 0.00 0.00 56.93 55.72 2hfq s PHE 20 Cb -0.26 -0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 41.11 2hfq s PHE 20 CO 0.03 -0.10 0.31 0.16 -1.34 0.00 0.00 175.22 174.28 2hfq s ASP 21 N 0.60 6.43 -0.34 1.98 -4.77 -0.89 -0.87 116.67 118.81 2hfq s ASP 21 Ca -0.06 0.50 -0.13 0.00 -3.30 0.00 0.00 52.55 49.56 2hfq s ASP 21 Cb -0.10 -2.19 -0.02 0.00 -1.09 0.00 0.00 42.92 39.53 2hfq s ASP 21 CO -0.01 0.08 0.26 -0.69 0.70 0.00 0.00 175.17 175.51 2hfq s VAL 22 N 0.58 5.27 -0.34 2.11 1.01 0.22 -2.07 120.40 127.18 2hfq s VAL 22 Ca 0.17 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2hfq s VAL 22 Cb -0.13 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2hfq s VAL 22 CO 0.04 -0.03 0.74 -0.36 0.00 0.00 0.00 175.10 175.49 2hfq s PHE 23 N 1.77 3.15 0.08 5.22 0.08 0.04 -1.74 117.98 126.58 2hfq s PHE 23 Ca 0.07 0.59 0.07 0.00 0.12 0.00 0.00 56.93 57.79 2hfq s PHE 23 Cb -0.17 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 2hfq s PHE 23 CO 0.11 -0.64 -0.20 0.95 -0.10 0.00 0.00 175.22 175.34 2hfq s THR 24 N 2.94 1.58 -0.18 0.64 -4.23 -1.02 -1.83 115.64 113.55 2hfq s THR 24 Ca 0.30 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.35 2hfq s THR 24 Cb -0.14 -1.43 -0.22 0.00 1.34 0.00 0.00 72.50 72.06 2hfq s THR 24 CO 0.15 -0.00 0.16 -0.67 -0.54 0.00 0.00 174.62 173.71 2hfq n ASP 25 N 1.38 2.04 -4.69 3.99 2.03 -1.26 0.28 116.55 120.32 2hfq n ASP 25 Ca -0.19 0.18 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 2hfq n ASP 25 Cb 0.54 -0.78 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 2hfq n ASP 25 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2hfq n VAL 26 N -3.67 0.26 -2.31 5.18 0.31 -1.26 -4.80 118.33 112.04 2hfq n VAL 26 Ca -0.37 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 2hfq n VAL 26 Cb 0.96 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 2hfq n VAL 26 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2hfq s ARG 27 N 2.26 3.10 -0.28 5.55 3.52 -1.26 -4.85 118.95 126.99 2hfq s ARG 27 Ca 0.81 -0.86 -0.22 0.00 -0.13 0.00 0.00 55.73 55.33 2hfq s ARG 27 Cb -0.55 -5.24 0.13 0.00 -1.56 0.00 0.00 34.95 27.72 2hfq s ARG 27 CO 0.38 -2.85 1.01 0.34 -0.81 0.00 0.00 175.30 173.37 2hfq s ASP 28 N 6.30 -0.48 -0.06 -2.12 -1.08 -1.26 -5.05 116.67 112.91 2hfq s ASP 28 Ca 0.59 0.87 0.08 0.00 -0.52 0.00 0.00 52.55 53.56 2hfq s ASP 28 Cb -0.02 0.99 -0.24 0.00 -1.46 0.00 0.00 42.92 42.18 2hfq s ASP 28 CO -0.03 -0.14 0.60 -0.90 0.52 0.00 0.00 175.17 175.22 2hfq n ASP 29 N 2.73 1.17 -0.14 -0.34 5.75 -1.26 -3.85 116.55 120.61 2hfq n ASP 29 Ca -0.14 0.37 -0.10 0.00 -0.01 0.00 0.00 54.79 54.91 2hfq n ASP 29 Cb 0.56 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.39 2hfq n ASP 29 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2hfq h LYS 30 N 0.02 0.66 0.00 0.11 3.64 -1.99 -2.60 116.57 116.40 2hfq h LYS 30 Ca -0.32 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 2hfq h LYS 30 Cb 2.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 2hfq h LYS 30 CO 0.08 0.68 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.48 2hfq h LYS 31 N 0.52 0.00 -0.56 1.90 3.64 -1.98 -0.09 116.57 120.01 2hfq h LYS 31 Ca 0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2hfq h LYS 31 Cb 0.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2hfq h LYS 31 CO 0.00 0.24 0.25 0.00 -2.27 0.00 0.00 179.45 177.67 2hfq h ALA 32 N 1.76 0.73 -0.46 5.00 0.00 -1.58 0.86 119.26 125.56 2hfq h ALA 32 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2hfq h ALA 32 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2hfq h ALA 32 CO 0.03 0.31 0.24 0.82 0.00 0.00 0.00 179.25 180.65 2hfq h ILE 33 N 0.76 1.18 -0.38 0.00 2.04 -0.94 -1.48 117.51 118.68 2hfq h ILE 33 Ca 0.19 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2hfq h ILE 33 Cb 0.16 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2hfq h ILE 33 CO -0.02 0.19 0.14 -0.33 0.00 0.00 0.00 178.15 178.13 2hfq h GLU 34 N 0.61 0.30 -0.55 2.37 5.08 -0.62 -0.80 114.58 120.96 2hfq h GLU 34 Ca 0.16 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2hfq h GLU 34 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2hfq h GLU 34 CO -0.02 0.20 0.11 0.74 -1.00 0.00 0.00 179.01 179.03 2hfq h PHE 35 N 0.30 0.95 -0.20 4.33 0.04 -0.66 -0.26 116.94 121.45 2hfq h PHE 35 Ca 0.17 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2hfq h PHE 35 Cb 0.14 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 2hfq h PHE 35 CO -0.14 0.84 0.13 0.00 -0.60 0.00 0.00 178.31 178.53 2hfq h ALA 36 N 1.00 0.25 -0.55 2.45 0.00 -0.90 -0.61 119.26 120.90 2hfq h ALA 36 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2hfq h ALA 36 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2hfq h ALA 36 CO 0.01 -0.28 -0.07 0.87 0.00 0.00 0.00 179.25 179.78 2hfq h LYS 37 N 0.26 1.00 -0.46 0.00 1.57 -0.96 -0.20 116.57 117.78 2hfq h LYS 37 Ca 0.07 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2hfq h LYS 37 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2hfq h LYS 37 CO -0.02 1.02 0.30 1.96 -0.57 0.00 0.00 179.45 182.14 2hfq h GLN 38 N 0.90 0.59 -0.30 3.15 4.20 -0.79 0.19 115.11 123.05 2hfq h GLN 38 Ca 0.15 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2hfq h GLN 38 Cb 0.62 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2hfq h GLN 38 CO 0.04 0.39 0.08 2.35 -0.67 0.00 0.00 178.83 181.02 2hfq h TRP 39 N 0.61 0.50 -0.71 2.96 7.01 -0.87 -0.13 115.95 125.33 2hfq h TRP 39 Ca 0.17 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.15 2hfq h TRP 39 Cb -0.06 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 2hfq h TRP 39 CO -0.05 0.53 0.44 -0.07 -2.79 0.00 0.00 178.44 176.50 2hfq h LEU 40 N 0.33 0.72 -1.17 0.65 3.38 -0.76 -0.35 115.31 118.11 2hfq h LEU 40 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2hfq h LEU 40 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2hfq h LEU 40 CO -0.00 0.49 -0.11 -1.28 0.09 0.00 0.00 178.44 177.63 2hfq h SER 41 N 0.85 0.42 -0.41 -0.43 0.87 -0.37 0.44 113.55 114.93 2hfq h SER 41 Ca 0.29 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 2hfq h SER 41 Cb 0.04 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2hfq h SER 41 CO -0.12 0.57 -0.27 -1.28 -0.53 0.00 0.00 176.83 175.21 2hfq h SER 42 N 0.41 0.95 0.62 6.23 0.87 0.04 -3.05 113.55 119.61 2hfq h SER 42 Ca 0.08 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2hfq h SER 42 Cb 0.45 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2hfq h SER 42 CO 0.03 1.17 -0.33 2.30 -0.53 0.00 0.00 176.83 179.47 2hfq n ILE 43 N -4.15 0.00 -0.14 2.23 -5.35 -0.24 -4.93 119.36 106.79 2hfq n ILE 43 Ca -0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2hfq n ILE 43 Cb 0.48 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.48 0.72 2.10 3.28 0.00 0.33 -4.95 105.19 108.15 2hfq n GLY 44 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.06 2.23 -0.13 1.61 -0.58 0.13 -4.52 120.64 117.32 2hfq n GLU 45 Ca 0.00 -2.53 0.01 0.00 -0.42 0.00 0.00 57.16 54.22 2hfq n GLU 45 Cb 0.00 -1.99 0.06 0.00 -0.57 0.00 0.00 31.44 28.94 2hfq n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2hfq n GLU 46 N -0.52 1.58 -1.46 3.49 0.28 -1.17 -3.91 120.64 118.94 2hfq n GLU 46 Ca 0.49 -0.48 -0.27 0.00 -0.16 0.00 0.00 57.16 56.74 2hfq n GLU 46 Cb 0.85 -1.59 0.09 0.00 1.43 0.00 0.00 31.44 32.22 2hfq n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hfq n GLY 47 N 0.13 5.78 3.29 -1.84 0.00 -1.26 -4.98 105.19 106.32 2hfq n GLY 47 Ca 0.04 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.64 1.59 -0.27 4.61 0.00 -1.25 -4.69 121.76 118.11 2hfq s ALA 48 Ca 0.57 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 2hfq s ALA 48 Cb 0.46 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 24.26 2hfq s ALA 48 CO 0.02 -0.35 0.12 0.99 0.00 0.00 0.00 175.76 176.54 2hfq s THR 49 N -3.63 4.60 -0.31 0.00 2.01 -1.26 -5.06 115.64 111.99 2hfq s THR 49 Ca 0.30 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2hfq s THR 49 Cb 0.07 -3.22 0.08 0.00 0.01 0.00 0.00 72.50 69.44 2hfq s THR 49 CO 0.08 0.24 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.55 2hfq s VAL 50 N 1.64 2.37 0.27 3.82 1.01 -1.26 -4.90 120.40 123.36 2hfq s VAL 50 Ca 0.06 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.11 2hfq s VAL 50 Cb -0.16 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.68 2hfq s VAL 50 CO 0.06 -0.33 0.17 0.35 0.00 0.00 0.00 175.10 175.35 2hfq n THR 51 N 4.38 0.00 0.60 3.92 -2.24 -1.26 -5.00 114.28 114.69 2hfq n THR 51 Ca -0.05 -1.12 0.06 0.00 -2.27 0.00 0.00 64.05 60.67 2hfq n THR 51 Cb 0.42 -0.17 0.32 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.78 0.00 0.01 3.42 2.88 -1.26 -2.21 113.62 114.68 2hfq n SER 52 Ca -0.03 0.05 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 2hfq n SER 52 Cb 0.32 -0.25 -0.14 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.00 0.28 -0.38 -1.46 4.22 -2.00 -3.37 114.58 111.87 2hfq h GLU 53 Ca 0.00 -0.48 -0.11 0.00 0.08 0.00 0.00 59.36 58.86 2hfq h GLU 53 Cb 0.10 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2hfq h GLU 53 CO 0.00 1.23 -0.20 0.93 -2.18 0.00 0.00 179.01 178.79 2hfq h GLU 54 N -0.02 0.74 -4.70 1.92 3.07 -1.73 -3.35 114.58 110.51 2hfq h GLU 54 Ca -0.39 -0.28 -0.71 0.00 -0.50 0.00 0.00 59.36 57.48 2hfq h GLU 54 Cb 1.98 -0.04 -0.20 0.00 -0.84 0.00 0.00 28.75 29.65 2hfq h GLU 54 CO 0.09 0.88 0.45 0.00 -1.40 0.00 0.00 179.01 179.03 2hfq s ARG 56 N 2.23 3.94 -0.57 0.00 1.70 -1.21 -4.83 118.95 120.21 2hfq s ARG 56 Ca 0.23 -0.34 -0.28 0.00 -0.47 0.00 0.00 55.73 54.87 2hfq s ARG 56 Cb -0.12 -3.48 0.02 0.00 -0.57 0.00 0.00 34.95 30.80 2hfq s ARG 56 CO -0.04 -0.02 1.31 0.12 -1.08 0.00 0.00 175.30 175.60 2hfq s PHE 57 N 1.24 2.43 -0.15 5.89 5.36 -1.26 -0.99 117.98 130.49 2hfq s PHE 57 Ca 0.06 0.43 -0.20 0.00 -0.96 0.00 0.00 56.93 56.26 2hfq s PHE 57 Cb -0.14 -4.46 -0.18 0.00 -0.34 0.00 0.00 43.02 37.90 2hfq s PHE 57 CO 0.05 -1.81 0.39 0.00 -1.46 0.00 0.00 175.22 172.40 2hfq s HIS 59 N -2.16 0.13 -0.02 0.00 0.00 -1.24 -5.06 115.29 106.93 2hfq s HIS 59 Ca -0.19 -0.74 0.00 0.00 -3.00 0.00 0.00 55.06 51.14 2hfq s HIS 59 Cb 0.01 0.75 0.03 0.00 -4.00 0.00 0.00 32.58 29.37 2hfq s HIS 59 CO 0.51 -1.48 0.02 0.45 -1.00 0.00 0.00 174.74 173.23 2hfq s SER 60 N -3.05 0.14 0.31 7.38 0.15 -1.26 -1.12 113.70 116.24 2hfq s SER 60 Ca 0.16 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.88 2hfq s SER 60 Cb -0.05 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2hfq s SER 60 CO 0.11 -0.10 0.26 -1.83 1.20 0.00 0.00 173.24 172.88 2hfq s GLU 61 N 0.91 1.66 -0.01 5.44 -1.05 -1.00 -4.91 118.70 119.75 2hfq s GLU 61 Ca -0.08 -1.94 -0.30 0.00 -0.15 0.00 0.00 54.97 52.50 2hfq s GLU 61 Cb -0.11 0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 2hfq s GLU 61 CO -0.02 -0.61 1.33 0.15 0.95 0.00 0.00 175.26 177.06 2hfq s LYS 62 N -3.56 4.31 0.26 -4.83 1.02 -1.26 -0.40 119.74 115.28 2hfq s LYS 62 Ca 0.40 1.87 -0.30 0.00 0.02 0.00 0.00 55.97 57.97 2hfq s LYS 62 Cb 0.03 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.71 2hfq s LYS 62 CO 0.25 -0.51 1.06 0.00 -0.92 0.00 0.00 175.35 175.22 2hfq s ALA 63 N 2.19 3.39 0.51 5.17 0.00 0.99 -4.87 121.76 129.14 2hfq s ALA 63 Ca 0.61 0.82 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 2hfq s ALA 63 Cb -0.30 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2hfq s ALA 63 CO 0.26 -0.06 1.23 -2.30 0.00 0.00 0.00 175.76 174.89 2hfq n PRO 64 N 1.34 1.58 0.09 0.00 -0.02 -1.26 -4.73 135.00 132.00 2hfq n PRO 64 Ca -0.01 0.58 0.03 0.00 -2.02 0.00 0.00 63.50 62.07 2hfq n PRO 64 Cb 0.45 -2.41 0.41 0.00 -0.02 0.00 0.00 33.50 31.93 2hfq n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hfq h ASP 65 N 1.43 0.29 1.20 2.55 3.58 -2.00 -2.25 116.42 121.23 2hfq h ASP 65 Ca -0.49 -0.04 -0.16 0.00 0.42 0.00 0.00 57.03 56.75 2hfq h ASP 65 Cb 1.32 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 2hfq h ASP 65 CO 0.57 0.36 -0.80 1.05 -2.88 0.00 0.00 179.24 177.54 2hfq h GLU 66 N 0.31 0.00 0.00 0.28 9.09 -2.02 -3.22 114.58 119.02 2hfq h GLU 66 Ca 0.07 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.40 2hfq h GLU 66 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 2hfq h GLU 66 CO 0.01 0.75 -0.38 -0.39 0.05 0.00 0.00 179.01 179.04 2hfq h VAL 67 N 0.00 0.74 0.01 -1.06 -1.51 -1.79 -3.08 116.25 109.56 2hfq h VAL 67 Ca -0.02 -1.75 -0.00 0.00 -1.23 0.00 0.00 66.70 63.71 2hfq h VAL 67 Cb 1.60 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 2hfq h VAL 67 CO 0.10 0.37 -0.01 0.40 -1.23 0.00 0.00 177.57 177.21 2hfq h ILE 68 N 0.00 1.10 -0.11 7.19 2.04 -1.52 0.23 117.51 126.44 2hfq h ILE 68 Ca -0.00 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 2hfq h ILE 68 Cb 1.11 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2hfq h ILE 68 CO 0.05 0.09 -0.44 -0.08 0.00 0.00 0.00 178.15 177.77 2hfq h GLU 69 N -0.16 0.26 -0.80 2.37 4.81 -1.69 -2.28 114.58 117.10 2hfq h GLU 69 Ca -0.00 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2hfq h GLU 69 Cb 0.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2hfq h GLU 69 CO 0.00 0.65 0.39 0.00 -0.73 0.00 0.00 179.01 179.32 2hfq h ALA 70 N 1.34 1.03 0.00 2.92 0.00 -1.37 0.15 119.26 123.33 2hfq h ALA 70 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2hfq h ALA 70 Cb 0.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2hfq h ALA 70 CO 0.07 0.59 -0.46 0.82 0.00 0.00 0.00 179.25 180.27 2hfq h ILE 71 N 1.12 1.12 -0.07 0.00 2.04 -0.74 0.22 117.51 121.21 2hfq h ILE 71 Ca 0.27 -1.70 -0.21 0.00 1.00 0.00 0.00 64.86 64.23 2hfq h ILE 71 Cb 0.11 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2hfq h ILE 71 CO -0.04 0.45 -0.81 0.11 0.00 0.00 0.00 178.15 177.87 2hfq h LYS 72 N 0.00 0.50 0.03 2.37 1.79 -0.78 -0.01 116.57 120.47 2hfq h LYS 72 Ca -0.00 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2hfq h LYS 72 Cb 0.93 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2hfq h LYS 72 CO 0.06 1.08 -0.01 0.37 -1.08 0.00 0.00 179.45 179.87 2hfq h GLN 73 N 0.32 -0.04 0.00 3.15 4.15 -0.49 -3.37 115.11 118.84 2hfq h GLN 73 Ca -0.05 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 2hfq h GLN 73 Cb 1.41 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2hfq h GLN 73 CO 0.15 0.63 -0.93 -0.91 -1.93 0.00 0.00 178.83 175.84 2hfq h ASN 74 N -0.93 0.00 0.00 -0.69 2.35 -0.70 -3.48 115.58 112.13 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 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2hfq h ASN 74 CO 0.01 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 2hfq n GLY 75 N 1.26 3.02 3.40 2.83 0.00 -0.02 -4.97 105.19 110.71 2hfq n GLY 75 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.62 -0.45 -0.19 1.61 1.13 -1.24 -4.74 117.35 110.85 2hfq s TYR 76 Ca 0.00 0.64 0.01 0.00 -1.41 0.00 0.00 57.07 56.31 2hfq s TYR 76 Cb 0.00 0.31 0.02 0.00 -1.10 0.00 0.00 41.96 41.19 2hfq s TYR 76 CO 0.00 -0.58 -0.19 0.12 -2.51 0.00 0.00 175.55 172.39 2hfq s PHE 77 N -1.80 2.82 -0.31 -3.49 5.36 -0.76 -4.68 117.98 115.12 2hfq s PHE 77 Ca -0.09 -1.67 -0.10 0.00 -0.96 0.00 0.00 56.93 54.11 2hfq s PHE 77 Cb -0.01 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.72 2hfq s PHE 77 CO 0.03 -0.81 0.16 0.42 -1.46 0.00 0.00 175.22 173.57 2hfq s ILE 78 N 1.28 4.77 -0.22 3.12 -1.09 -1.26 -0.78 121.20 127.02 2hfq s ILE 78 Ca 0.04 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.08 2hfq s ILE 78 Cb -0.14 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2hfq s ILE 78 CO -0.12 0.10 0.09 -0.47 -1.23 0.00 0.00 174.94 173.31 2hfq s TYR 79 N 1.65 3.22 -0.83 3.97 5.04 -0.88 -5.01 117.35 124.50 2hfq s TYR 79 Ca 0.05 -0.02 -0.23 0.00 -2.44 0.00 0.00 57.07 54.43 2hfq s TYR 79 Cb -0.17 -2.18 0.06 0.00 0.35 0.00 0.00 41.96 40.03 2hfq s TYR 79 CO 0.07 -0.01 1.22 0.15 -1.34 0.00 0.00 175.55 175.64 2hfq s LYS 80 N 0.92 3.36 -0.02 4.97 1.02 -1.26 -2.09 119.74 126.63 2hfq s LYS 80 Ca 0.05 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.07 2hfq s LYS 80 Cb -0.14 -4.66 -0.03 0.00 -0.52 0.00 0.00 37.83 32.48 2hfq s LYS 80 CO 0.03 -2.02 0.41 1.98 -0.92 0.00 0.00 175.35 174.83 2hfq h MET 81 N 9.64 -0.21 -4.24 1.68 1.85 -1.61 -3.48 114.93 118.56 2hfq h MET 81 Ca -0.07 0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 58.87 2hfq h MET 81 Cb 1.04 0.05 -0.13 0.00 0.43 0.00 0.00 31.60 32.98 2hfq h MET 81 CO 1.27 -0.14 -0.46 -1.21 -0.40 0.00 0.00 176.91 175.97 2hfq s GLU 82 N -2.30 1.24 -1.81 0.39 0.41 0.38 -4.87 118.70 112.16 2hfq s GLU 82 Ca -0.03 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.08 2hfq s GLU 82 Cb 0.00 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 2hfq s GLU 82 CO 0.09 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 2hfq n GLY 83 N -0.27 0.02 0.00 -1.39 0.00 -1.26 -0.01 105.19 102.29 2hfq n GLY 83 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2hfq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32