#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqc s SER -1 N 0.00 4.04 -0.01 1.61 0.01 -1.26 -5.06 113.70 113.03 2aqc s SER -1 Ca 0.00 -1.17 -0.03 0.00 1.31 0.00 0.00 55.95 56.06 2aqc s SER -1 Cb 0.00 -0.44 -0.28 0.00 0.21 0.00 0.00 66.02 65.51 2aqc s SER -1 CO 0.00 -0.35 0.82 0.45 0.41 0.00 0.00 173.24 174.57 2aqc h HIS 0 N 1.77 0.45 -0.18 2.43 -0.00 -2.09 -3.32 115.15 114.21 2aqc h HIS 0 Ca -0.43 -0.33 -0.01 0.00 -0.00 0.00 0.00 60.37 59.60 2aqc h HIS 0 Cb 1.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 2aqc h HIS 0 CO 0.71 1.40 0.07 1.98 -0.00 0.00 0.00 177.93 182.10 2aqc h MET 1 N 0.07 0.25 -6.26 2.45 1.85 -2.10 -3.42 114.93 107.76 2aqc h MET 1 Ca -0.26 -0.02 -0.57 0.00 -0.61 0.00 0.00 59.70 58.24 2aqc h MET 1 Cb 2.02 -0.05 -0.10 0.00 0.43 0.00 0.00 31.60 33.90 2aqc h MET 1 CO 0.16 0.21 -0.65 0.14 -0.40 0.00 0.00 176.91 176.37 2aqc s VAL 2 N -5.16 3.56 0.02 -5.77 -7.23 -1.25 -5.14 120.40 99.44 2aqc s VAL 2 Ca -0.06 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2aqc s VAL 2 Cb 0.17 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2aqc s VAL 2 CO 0.71 -0.28 -0.04 -1.83 -0.31 0.00 0.00 175.10 173.35 2aqc s GLU 3 N -3.41 0.33 0.42 4.82 1.03 -1.26 -4.54 118.70 116.10 2aqc s GLU 3 Ca 0.30 -0.57 0.01 0.00 0.03 0.00 0.00 54.97 54.73 2aqc s GLU 3 Cb -0.07 0.01 -0.01 0.00 -0.80 0.00 0.00 34.13 33.26 2aqc s GLU 3 CO 0.19 -0.02 0.63 -1.64 -1.33 0.00 0.00 175.26 173.09 2aqc s MET 4 N -1.32 3.12 -0.05 -4.83 -1.94 -1.26 -5.03 119.30 107.98 2aqc s MET 4 Ca -0.13 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.02 2aqc s MET 4 Cb -0.09 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 2aqc s MET 4 CO -0.01 -0.18 1.54 -0.98 -0.01 0.00 0.00 175.02 175.39 2aqc s ARG 5 N -4.48 4.21 0.06 2.03 1.04 -1.26 -4.98 118.95 115.56 2aqc s ARG 5 Ca 0.47 2.07 -0.18 0.00 -1.04 0.00 0.00 55.73 57.05 2aqc s ARG 5 Cb -0.10 -3.85 0.04 0.00 -2.04 0.00 0.00 34.95 29.00 2aqc s ARG 5 CO 0.37 -0.77 0.43 -1.64 -0.04 0.00 0.00 175.30 173.65 2aqc s MET 6 N 3.56 0.96 0.44 3.89 -1.94 -1.26 -4.98 119.30 119.96 2aqc s MET 6 Ca 0.69 -0.41 0.07 0.00 -1.71 0.00 0.00 55.69 54.33 2aqc s MET 6 Cb -0.31 0.43 -0.03 0.00 2.01 0.00 0.00 34.83 36.92 2aqc s MET 6 CO 0.27 -0.34 0.22 -1.59 -0.01 0.00 0.00 175.02 173.56 2aqc s LYS 7 N -2.71 2.25 -0.02 2.03 0.00 -0.61 -4.62 119.74 116.07 2aqc s LYS 7 Ca -0.04 -1.88 -0.11 0.00 0.00 0.00 0.00 55.97 53.94 2aqc s LYS 7 Cb -0.00 -2.00 0.02 0.00 0.00 0.00 0.00 37.83 35.84 2aqc s LYS 7 CO -0.04 -0.21 0.24 0.21 0.00 0.00 0.00 175.35 175.55 2aqc s LYS 8 N -3.98 0.54 -0.17 1.78 2.20 0.62 -1.17 119.74 119.57 2aqc s LYS 8 Ca 0.38 -0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2aqc s LYS 8 Cb 0.02 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 2aqc s LYS 8 CO 0.21 -0.13 1.42 0.00 -0.36 0.00 0.00 175.35 176.49 2aqc n PRO 10 N 7.02 0.21 -0.12 0.00 -0.04 -1.26 0.03 135.00 140.85 2aqc n PRO 10 Ca 0.16 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 2aqc n PRO 10 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2aqc n PRO 10 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aqc n LYS 11 N -1.28 0.61 -0.09 0.54 4.01 -1.26 -4.82 118.16 115.87 2aqc n LYS 11 Ca 0.07 0.29 -0.14 0.00 -0.51 0.00 0.00 58.31 58.02 2aqc n LYS 11 Cb 0.12 -1.56 -0.05 0.00 -0.51 0.00 0.00 35.03 33.03 2aqc n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2aqc n GLY 13 N 1.67 2.00 3.75 0.00 0.00 0.10 -5.00 105.19 107.71 2aqc n GLY 13 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2aqc n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqc s LEU 14 N 0.00 4.28 0.40 0.99 2.96 -1.26 -4.75 118.68 121.30 2aqc s LEU 14 Ca 0.00 0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 54.30 2aqc s LEU 14 Cb 0.00 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 44.18 2aqc s LEU 14 CO 0.00 0.13 0.89 -0.31 -1.32 0.00 0.00 176.35 175.74 2aqc s TYR 15 N 0.24 3.34 0.00 5.38 1.51 -1.26 -1.63 117.35 124.92 2aqc s TYR 15 Ca 0.18 1.51 -0.26 0.00 -1.01 0.00 0.00 57.07 57.49 2aqc s TYR 15 Cb -0.13 -2.76 0.09 0.00 -0.11 0.00 0.00 41.96 39.04 2aqc s TYR 15 CO 0.05 -0.04 1.17 -2.37 -1.11 0.00 0.00 175.55 173.25 2aqc n THR 16 N -0.53 0.00 -0.60 -0.71 5.66 -0.32 -4.97 114.28 112.82 2aqc n THR 16 Ca 0.06 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2aqc n THR 16 Cb 0.54 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 2aqc n THR 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aqc n LEU 17 N 0.00 0.54 -0.24 1.09 4.77 -1.26 -1.57 117.00 120.33 2aqc n LEU 17 Ca 0.03 -0.54 0.12 0.00 -0.03 0.00 0.00 56.01 55.60 2aqc n LEU 17 Cb 0.54 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.23 2aqc n LEU 17 CO 0.15 0.13 0.90 0.29 -1.33 0.00 0.00 177.39 177.53 2aqc n LYS 18 N -0.07 1.32 -1.20 3.23 4.76 -1.26 -4.87 118.16 120.07 2aqc n LYS 18 Ca 0.00 -0.48 -0.07 0.00 -2.87 0.00 0.00 58.31 54.90 2aqc n LYS 18 Cb 0.23 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 2aqc n LYS 18 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2aqc n GLU 19 N -0.36 -1.76 -3.86 1.97 1.02 -1.26 -4.92 120.64 111.46 2aqc n GLU 19 Ca 0.18 0.73 -0.11 0.00 -0.02 0.00 0.00 57.16 57.93 2aqc n GLU 19 Cb 0.20 -5.15 -0.11 0.00 -0.02 0.00 0.00 31.44 26.36 2aqc n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2aqc s ILE 20 N -1.61 0.05 -0.38 -3.67 -1.09 -1.26 -1.32 121.20 111.92 2aqc s ILE 20 Ca 0.00 -0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 57.79 2aqc s ILE 20 Cb 0.00 -0.31 0.01 0.00 -1.58 0.00 0.00 42.46 40.58 2aqc s ILE 20 CO 0.00 -0.23 0.67 0.00 -1.23 0.00 0.00 174.94 174.15 2aqc n PRO 22 N 6.19 0.09 -0.05 0.00 -0.04 -1.26 0.35 135.00 140.28 2aqc n PRO 22 Ca -0.00 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2aqc n PRO 22 Cb 0.48 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2aqc n PRO 22 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aqc h LYS 23 N 0.00 0.00 0.00 0.54 1.63 -1.98 -3.43 116.57 113.34 2aqc h LYS 23 Ca 0.00 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 2aqc h LYS 23 Cb 0.20 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 2aqc h LYS 23 CO 0.00 0.00 -2.42 0.00 -3.45 0.00 0.00 179.45 173.58 2aqc n GLY 25 N 2.23 0.68 3.14 0.00 0.00 0.16 -5.06 105.19 106.34 2aqc n GLY 25 Ca -0.45 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 2aqc n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aqc s GLU 26 N 0.25 0.75 0.07 1.61 4.04 -1.23 -4.85 118.70 119.33 2aqc s GLU 26 Ca 0.00 -0.94 -0.30 0.00 0.04 0.00 0.00 54.97 53.76 2aqc s GLU 26 Cb 0.00 -0.63 -0.10 0.00 0.02 0.00 0.00 34.13 33.43 2aqc s GLU 26 CO 0.00 0.13 1.92 0.21 -1.84 0.00 0.00 175.26 175.67 2aqc s LYS 27 N -1.90 4.14 0.81 -4.83 2.20 -1.26 -0.02 119.74 118.87 2aqc s LYS 27 Ca -0.03 2.61 -0.11 0.00 -0.36 0.00 0.00 55.97 58.08 2aqc s LYS 27 Cb -0.09 -3.94 0.08 0.00 -1.51 0.00 0.00 37.83 32.37 2aqc s LYS 27 CO 0.01 -0.91 1.09 0.95 -0.36 0.00 0.00 175.35 176.13 2aqc s THR 28 N 3.78 3.06 0.07 3.43 -4.23 -0.44 -4.79 115.64 116.53 2aqc s THR 28 Ca 0.86 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 2aqc s THR 28 Cb -0.44 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 2aqc s THR 28 CO 0.40 -0.45 -0.07 0.68 -0.54 0.00 0.00 174.62 174.63 2aqc s VAL 29 N -3.10 0.60 -0.21 2.29 -7.23 0.50 -4.85 120.40 108.40 2aqc s VAL 29 Ca 0.61 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 2aqc s VAL 29 Cb -0.15 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2aqc s VAL 29 CO 0.55 -0.63 1.84 -0.63 -0.31 0.00 0.00 175.10 175.92 2aqc s ILE 30 N -2.50 3.40 -0.01 -0.62 -1.09 -1.26 -0.27 121.20 118.85 2aqc s ILE 30 Ca 0.01 0.44 -0.25 0.00 -2.23 0.00 0.00 60.65 58.62 2aqc s ILE 30 Cb -0.02 -3.45 -0.19 0.00 -1.58 0.00 0.00 42.46 37.21 2aqc s ILE 30 CO -0.02 -0.22 1.28 1.55 -1.23 0.00 0.00 174.94 176.30 2aqc h PRO 31 N 12.19 0.06 -5.55 2.79 0.13 -1.83 -3.47 132.00 136.33 2aqc h PRO 31 Ca -0.37 -0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.28 2aqc h PRO 31 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2aqc h PRO 31 CO 0.99 0.53 -0.73 0.15 -0.23 0.00 0.00 178.00 178.71 2aqc s LYS 32 N -4.27 1.32 0.96 0.86 1.02 -1.26 -5.12 119.74 113.26 2aqc s LYS 32 Ca -0.16 -1.59 -0.12 0.00 0.02 0.00 0.00 55.97 54.13 2aqc s LYS 32 Cb 0.02 -1.11 0.17 0.00 -0.52 0.00 0.00 37.83 36.39 2aqc s LYS 32 CO 0.69 0.18 1.09 -1.25 -0.92 0.00 0.00 175.35 175.14 2aqc s PRO 33 N -3.65 0.73 0.12 -1.68 0.04 -1.26 -4.98 135.00 124.33 2aqc s PRO 33 Ca 0.22 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 2aqc s PRO 33 Cb -0.01 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2aqc s PRO 33 CO 0.07 -2.55 1.45 -1.00 0.04 0.00 0.00 177.00 175.00 2aqc h PRO 34 N -1.77 0.83 -3.11 0.56 0.13 -2.00 -3.46 132.00 123.18 2aqc h PRO 34 Ca -0.53 -0.44 -0.11 0.00 -0.87 0.00 0.00 66.00 64.05 2aqc h PRO 34 Cb 1.31 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.26 2aqc h PRO 34 CO 0.56 1.08 -0.28 0.21 -0.23 0.00 0.00 178.00 179.34 2aqc s LYS 35 N -4.38 0.69 0.00 0.86 2.36 -1.26 -5.00 119.74 113.01 2aqc s LYS 35 Ca -0.12 -0.27 0.00 0.00 -2.55 0.00 0.00 55.97 53.04 2aqc s LYS 35 Cb 0.10 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 37.18 2aqc s LYS 35 CO 0.86 -0.20 0.85 1.19 1.55 0.00 0.00 175.35 179.60 2aqc n PHE 36 N 1.13 0.00 -3.54 4.03 3.72 -1.26 -4.90 117.46 116.64 2aqc n PHE 36 Ca -0.21 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.97 2aqc n PHE 36 Cb 0.57 -0.35 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 2aqc n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2aqc n SER 37 N -1.74 -5.85 0.12 4.37 7.64 -1.26 -4.90 113.62 112.01 2aqc n SER 37 Ca 0.00 -0.53 0.01 0.00 1.01 0.00 0.00 58.87 59.37 2aqc n SER 37 Cb 0.00 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.32 2aqc n SER 37 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aqc h LEU 38 N -2.54 0.00 0.00 -3.43 -0.00 -1.92 -3.32 115.31 104.09 2aqc h LEU 38 Ca -0.55 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.18 2aqc h LEU 38 Cb 1.35 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.98 2aqc h LEU 38 CO 0.53 0.56 -2.06 1.21 -0.00 0.00 0.00 178.44 178.68 2aqc n GLU 39 N -3.20 0.79 -1.63 1.13 4.07 -1.26 -4.96 120.64 115.57 2aqc n GLU 39 Ca 0.01 -0.10 -0.45 0.00 -0.06 0.00 0.00 57.16 56.56 2aqc n GLU 39 Cb 0.76 -1.47 -0.02 0.00 -0.06 0.00 0.00 31.44 30.66 2aqc n GLU 39 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2aqc n ASP 40 N -2.41 1.90 -0.14 4.31 8.00 -1.25 -4.86 116.55 122.11 2aqc n ASP 40 Ca -0.15 1.17 0.04 0.00 0.71 0.00 0.00 54.79 56.55 2aqc n ASP 40 Cb 0.78 -1.35 0.34 0.00 -0.02 0.00 0.00 41.12 40.87 2aqc n ASP 40 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2aqc h ARG 41 N 2.76 0.76 -0.70 -1.24 1.12 -1.94 -0.25 114.38 114.89 2aqc h ARG 41 Ca -0.43 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.40 2aqc h ARG 41 Cb 1.32 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2aqc h ARG 41 CO 0.65 0.50 0.00 0.91 -3.11 0.00 0.00 179.97 178.93 2aqc n TRP 42 N -4.46 1.52 -0.11 2.20 5.03 -1.26 -4.46 117.44 115.91 2aqc n TRP 42 Ca 0.07 -0.53 0.23 0.00 3.03 0.00 0.00 57.50 60.30 2aqc n TRP 42 Cb 0.10 -0.40 0.67 0.00 -1.03 0.00 0.00 31.31 30.65 2aqc n TRP 42 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 2aqc h GLY 43 N 4.29 0.14 1.25 6.99 0.00 -1.20 0.15 103.07 114.68 2aqc h GLY 43 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2aqc h GLY 43 CO 0.36 0.00 -1.15 0.07 0.00 0.00 0.00 176.54 175.82 2aqc h LYS 44 N 0.07 0.00 -0.49 4.80 2.10 -1.82 -3.33 116.57 117.91 2aqc h LYS 44 Ca 0.35 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 59.14 2aqc h LYS 44 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 2aqc h LYS 44 CO -0.03 0.32 0.41 -0.92 -2.00 0.00 0.00 179.45 177.24 2aqc h TYR 45 N 0.00 0.00 -0.68 0.07 5.03 -1.00 0.61 116.97 120.99 2aqc h TYR 45 Ca -0.11 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.24 2aqc h TYR 45 Cb 1.49 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.73 2aqc h TYR 45 CO 0.00 0.00 0.45 -0.09 -1.32 0.00 0.00 178.16 177.20 2aqc h ARG 46 N 0.00 0.78 -0.26 1.82 2.43 -1.66 -0.45 114.38 117.05 2aqc h ARG 46 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2aqc h ARG 46 Cb 1.06 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2aqc h ARG 46 CO -0.00 0.52 0.02 0.00 -1.51 0.00 0.00 179.97 179.00 2aqc h ARG 47 N 0.80 0.37 0.00 0.20 3.08 -1.12 -2.14 114.38 115.58 2aqc h ARG 47 Ca 0.28 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 2aqc h ARG 47 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2aqc h ARG 47 CO -0.08 0.39 -0.83 0.52 -1.07 0.00 0.00 179.97 178.90 2aqc h MET 48 N 0.37 0.00 0.05 0.04 2.86 -1.29 -3.38 114.93 113.58 2aqc h MET 48 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2aqc h MET 48 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2aqc h MET 48 CO 0.00 0.35 -0.13 1.25 1.06 0.00 0.00 176.91 179.45 2aqc h LEU 49 N 0.00 -0.38 -9.35 1.22 6.46 -0.43 -3.39 115.31 109.44 2aqc h LEU 49 Ca -0.06 0.04 -0.55 0.00 -0.12 0.00 0.00 57.88 57.19 2aqc h LEU 49 Cb 1.40 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 2aqc h LEU 49 CO 0.05 -0.14 0.75 -0.54 -0.62 0.00 0.00 178.44 177.93 2aqc s LYS 50 N -3.67 4.33 0.45 1.25 1.02 -1.22 -5.03 119.74 116.87 2aqc s LYS 50 Ca -0.04 1.80 0.08 0.00 0.02 0.00 0.00 55.97 57.83 2aqc s LYS 50 Cb 0.01 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2aqc s LYS 50 CO 0.15 -0.49 0.59 1.03 -0.92 0.00 0.00 175.35 175.71 2aqc s ARG 51 N 2.21 2.68 -1.21 1.68 0.52 -1.26 -4.58 118.95 119.00 2aqc s ARG 51 Ca 0.59 -1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2aqc s ARG 51 Cb -0.28 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.51 2aqc s ARG 51 CO 0.24 -0.39 0.62 0.00 0.02 0.00 0.00 175.30 175.79 2aqc n ALA 52 N -1.90 -0.85 0.10 2.13 0.00 -1.26 -4.91 120.51 113.82 2aqc n ALA 52 Ca 0.09 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.73 2aqc n ALA 52 Cb 0.60 -3.61 0.03 0.00 0.00 0.00 0.00 19.45 16.47 2aqc n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2aqc h LEU 53 N -1.42 0.09 -9.19 0.00 7.12 -1.97 -3.43 115.31 106.51 2aqc h LEU 53 Ca -0.44 -0.07 -0.58 0.00 0.13 0.00 0.00 57.88 56.92 2aqc h LEU 53 Cb 1.30 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 41.33 2aqc h LEU 53 CO 0.46 0.86 0.35 -0.54 -0.13 0.00 0.00 178.44 179.44 2aqc s LYS 54 N -3.22 4.32 0.14 1.25 1.02 -1.26 -5.02 119.74 116.97 2aqc s LYS 54 Ca -0.01 1.01 -0.24 0.00 0.02 0.00 0.00 55.97 56.75 2aqc s LYS 54 Cb 0.11 -3.56 0.07 0.00 -0.52 0.00 0.00 37.83 33.93 2aqc s LYS 54 CO 0.80 -0.27 0.69 0.54 -0.92 0.00 0.00 175.35 176.19 2aqc s ASN 55 N 1.11 -0.47 1.21 2.83 2.20 -1.26 -5.17 114.94 115.40 2aqc s ASN 55 Ca 0.38 -0.11 -0.13 0.00 -0.94 0.00 0.00 52.86 52.07 2aqc s ASN 55 Cb -0.17 0.57 0.31 0.00 -2.00 0.00 0.00 41.25 39.96 2aqc s ASN 55 CO 0.14 -0.95 1.01 -0.75 -2.94 0.00 0.00 177.10 173.60 2aqc s LYS 56 N -3.63 -1.29 0.17 3.55 2.20 -1.26 -5.06 119.74 114.42 2aqc s LYS 56 Ca 0.04 0.83 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 2aqc s LYS 56 Cb -0.02 -1.51 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 2aqc s LYS 56 CO -0.09 -3.97 0.04 0.54 -0.36 0.00 0.00 175.35 171.52 2aqc s ASN 57 N -2.39 0.83 0.75 1.43 2.20 -1.26 -5.15 114.94 111.36 2aqc s ASN 57 Ca 0.69 -1.23 -0.14 0.00 -0.94 0.00 0.00 52.86 51.24 2aqc s ASN 57 Cb -0.26 0.20 0.05 0.00 -2.00 0.00 0.00 41.25 39.24 2aqc s ASN 57 CO 0.66 -0.66 1.20 -0.54 -2.94 0.00 0.00 177.10 174.82 2aqc s LYS 58 N -3.99 2.02 0.16 3.55 1.02 -1.26 -4.94 119.74 116.30 2aqc s LYS 58 Ca 0.27 1.74 -0.07 0.00 0.02 0.00 0.00 55.97 57.93 2aqc s LYS 58 Cb 0.07 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.57 2aqc s LYS 58 CO 0.05 -1.92 1.45 0.00 -0.92 0.00 0.00 175.35 174.01 2aqc h ALA 59 N -0.46 0.57 0.00 5.17 0.00 -2.07 -3.57 119.26 118.90 2aqc h ALA 59 Ca -0.47 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2aqc h ALA 59 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2aqc h ALA 59 CO 0.49 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.82