#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 2.37 -0.13 1.61 0.15 -1.26 -5.14 113.70 111.30 2aqc s SER -1 Ca 0.00 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 55.74 2aqc s SER -1 Cb 0.00 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2aqc s SER -1 CO 0.00 -0.15 -0.18 -1.00 1.20 0.00 0.00 173.24 173.11 2aqc s HIS 0 N -2.55 2.33 0.15 3.44 4.02 -1.26 -5.01 115.29 116.41 2aqc s HIS 0 Ca 0.17 -1.17 0.04 0.00 1.02 0.00 0.00 55.06 55.11 2aqc s HIS 0 Cb -0.03 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.58 29.84 2aqc s HIS 0 CO 0.05 -0.57 1.34 0.52 1.02 0.00 0.00 174.74 177.10 2aqc h MET 1 N 7.48 0.13 -5.13 1.40 2.86 -2.09 -3.45 114.93 116.14 2aqc h MET 1 Ca -0.33 -0.17 -0.46 0.00 -2.06 0.00 0.00 59.70 56.68 2aqc h MET 1 Cb 1.17 0.05 -0.29 0.00 0.06 0.00 0.00 31.60 32.60 2aqc h MET 1 CO 0.53 0.97 -0.80 0.14 1.06 0.00 0.00 176.91 178.80 2aqc s VAL 2 N -3.04 0.99 -0.01 -2.22 -7.23 -1.26 -5.15 120.40 102.49 2aqc s VAL 2 Ca -0.02 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 2aqc s VAL 2 Cb 0.10 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 2aqc s VAL 2 CO 0.83 0.28 -0.17 -1.61 -0.31 0.00 0.00 175.10 174.11 2aqc s GLU 3 N -0.30 2.27 -0.21 4.82 0.41 -1.26 -5.11 118.70 119.31 2aqc s GLU 3 Ca 0.05 -0.85 -0.05 0.00 -0.41 0.00 0.00 54.97 53.71 2aqc s GLU 3 Cb -0.05 -2.25 0.11 0.00 -1.78 0.00 0.00 34.13 30.16 2aqc s GLU 3 CO -0.00 0.58 0.41 1.41 -0.49 0.00 0.00 175.26 177.16 2aqc s MET 4 N -1.02 0.33 0.19 1.61 1.75 -1.26 -5.13 119.30 115.77 2aqc s MET 4 Ca 0.13 0.86 -0.33 0.00 -1.25 0.00 0.00 55.69 55.09 2aqc s MET 4 Cb -0.10 0.05 -0.13 0.00 2.84 0.00 0.00 34.83 37.48 2aqc s MET 4 CO 0.02 -0.40 1.60 2.89 -0.65 0.00 0.00 175.02 178.49 2aqc n ARG 5 N 5.38 2.31 -3.75 4.11 -4.01 -1.26 -4.93 116.66 114.51 2aqc n ARG 5 Ca -0.07 0.83 0.01 0.00 -1.04 0.00 0.00 57.85 57.59 2aqc n ARG 5 Cb 0.50 -2.61 0.01 0.00 -3.04 0.00 0.00 32.46 27.32 2aqc n ARG 5 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2aqc n MET 6 N 3.36 0.29 -4.62 2.89 0.00 -1.26 -4.97 117.12 112.81 2aqc n MET 6 Ca 0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 57.70 56.68 2aqc n MET 6 Cb 0.31 1.36 -0.10 0.00 0.00 0.00 0.00 33.22 34.79 2aqc n MET 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2aqc s LYS 7 N -2.02 1.96 0.02 3.17 0.00 -0.52 -4.61 119.74 117.74 2aqc s LYS 7 Ca 0.25 -2.14 0.00 0.00 0.00 0.00 0.00 55.97 54.08 2aqc s LYS 7 Cb -0.01 -1.48 -0.02 0.00 0.00 0.00 0.00 37.83 36.32 2aqc s LYS 7 CO 0.01 -0.14 -0.03 0.21 0.00 0.00 0.00 175.35 175.40 2aqc s LYS 8 N -3.77 0.27 -0.19 1.78 2.20 0.72 -0.88 119.74 119.88 2aqc s LYS 8 Ca 0.29 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 2aqc s LYS 8 Cb 0.08 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 2aqc s LYS 8 CO 0.15 -0.03 1.47 0.00 -0.36 0.00 0.00 175.35 176.58 2aqc n PRO 10 N 7.22 0.23 -0.10 0.00 -0.04 -1.26 0.12 135.00 141.17 2aqc n PRO 10 Ca 0.16 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 2aqc n PRO 10 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.27 0.65 -0.05 0.54 4.01 -1.26 -4.83 118.16 115.96 2aqc n LYS 11 Ca 0.07 0.23 -0.09 0.00 -0.51 0.00 0.00 58.31 58.02 2aqc n LYS 11 Cb 0.11 -1.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.04 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 2.21 1.90 3.75 0.00 0.00 0.12 -5.00 105.19 108.17 2aqc n GLY 13 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 4.33 0.31 0.99 2.96 -1.26 -4.71 118.68 121.30 2aqc s LEU 14 Ca 0.00 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.61 2aqc s LEU 14 Cb 0.00 -2.70 -0.09 0.00 0.50 0.00 0.00 46.19 43.90 2aqc s LEU 14 CO 0.00 0.07 0.78 -0.31 -1.32 0.00 0.00 176.35 175.57 2aqc s TYR 15 N 0.23 3.47 0.01 5.38 1.51 -1.26 -1.22 117.35 125.47 2aqc s TYR 15 Ca 0.26 1.38 -0.28 0.00 -1.01 0.00 0.00 57.07 57.42 2aqc s TYR 15 Cb -0.16 -2.64 0.10 0.00 -0.11 0.00 0.00 41.96 39.15 2aqc s TYR 15 CO 0.12 0.15 1.25 -0.08 -1.11 0.00 0.00 175.55 175.87 2aqc s THR 16 N -1.84 0.00 0.00 -0.71 -1.32 -0.05 -4.98 115.64 106.73 2aqc s THR 16 Ca 0.52 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2aqc s THR 16 Cb -0.13 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2aqc s THR 16 CO 0.18 0.00 0.59 0.18 -2.21 0.00 0.00 174.62 173.36 2aqc n LEU 17 N -0.71 1.10 -0.10 9.08 4.77 -1.26 -1.44 117.00 128.45 2aqc n LEU 17 Ca -0.02 -1.10 0.15 0.00 -0.03 0.00 0.00 56.01 55.00 2aqc n LEU 17 Cb 0.60 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.46 2aqc n LEU 17 CO 0.15 0.28 1.00 0.29 -1.33 0.00 0.00 177.39 177.77 2aqc n LYS 18 N -0.15 0.91 -1.07 3.23 5.02 -1.26 -4.88 118.16 119.96 2aqc n LYS 18 Ca 0.00 -0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.07 2aqc n LYS 18 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2aqc n LYS 18 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aqc n GLU 19 N -0.87 -1.70 -3.76 1.97 1.02 -1.26 -4.92 120.64 111.10 2aqc n GLU 19 Ca 0.19 0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 57.74 2aqc n GLU 19 Cb 0.21 -4.86 -0.13 0.00 -0.02 0.00 0.00 31.44 26.64 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 -1.33 -0.03 -0.29 -3.67 -1.09 -1.26 -1.60 121.20 111.93 2aqc s ILE 20 Ca 0.00 0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 2aqc s ILE 20 Cb 0.00 -0.29 -0.00 0.00 -1.58 0.00 0.00 42.46 40.58 2aqc s ILE 20 CO 0.00 0.04 1.38 0.00 -1.23 0.00 0.00 174.94 175.14 2aqc n PRO 22 N 7.46 0.14 -0.06 0.00 -0.04 -1.26 0.32 135.00 141.56 2aqc n PRO 22 Ca 0.16 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.78 2aqc n PRO 22 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.96 -3.44 116.57 113.34 2aqc h LYS 23 Ca 0.00 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.49 2aqc h LYS 23 Cb 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.75 2aqc h LYS 23 CO 0.00 0.00 -2.17 0.00 -3.45 0.00 0.00 179.45 173.83 2aqc n GLY 25 N 2.51 1.17 3.59 0.00 0.00 0.15 -5.03 105.19 107.58 2aqc n GLY 25 Ca -0.36 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 2aqc n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aqc n GLU 26 N 0.00 1.36 -1.77 1.61 4.07 -1.26 -3.80 120.64 120.85 2aqc n GLU 26 Ca 0.00 0.48 -0.39 0.00 -0.06 0.00 0.00 57.16 57.19 2aqc n GLU 26 Cb 0.00 -1.92 0.03 0.00 -0.06 0.00 0.00 31.44 29.49 2aqc n GLU 26 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2aqc s LYS 27 N -1.02 3.31 0.18 5.31 1.02 -1.26 -0.43 119.74 126.85 2aqc s LYS 27 Ca 0.65 2.32 -0.11 0.00 0.02 0.00 0.00 55.97 58.85 2aqc s LYS 27 Cb -0.75 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.10 2aqc s LYS 27 CO 0.56 -1.09 0.52 0.95 -0.92 0.00 0.00 175.35 175.38 2aqc s THR 28 N -1.26 4.94 0.07 2.17 -4.23 -0.62 -4.51 115.64 112.20 2aqc s THR 28 Ca 0.68 0.56 0.07 0.00 -1.18 0.00 0.00 61.69 61.82 2aqc s THR 28 Cb -0.42 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 2aqc s THR 28 CO 0.51 0.08 -0.19 0.68 -0.54 0.00 0.00 174.62 175.17 2aqc s VAL 29 N -1.64 1.51 -0.18 2.29 -7.23 0.10 -4.74 120.40 110.51 2aqc s VAL 29 Ca 0.42 -1.31 -0.28 0.00 -1.81 0.00 0.00 61.98 58.99 2aqc s VAL 29 Cb -0.13 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2aqc s VAL 29 CO 0.20 0.00 2.13 -0.63 -0.31 0.00 0.00 175.10 176.49 2aqc s ILE 30 N -1.02 3.06 0.04 -0.62 -1.09 -1.26 -0.20 121.20 120.12 2aqc s ILE 30 Ca 0.05 0.06 -0.20 0.00 -2.23 0.00 0.00 60.65 58.33 2aqc s ILE 30 Cb -0.09 -3.07 -0.14 0.00 -1.58 0.00 0.00 42.46 37.58 2aqc s ILE 30 CO 0.03 -0.04 1.35 1.55 -1.23 0.00 0.00 174.94 176.60 2aqc h PRO 31 N 13.93 0.39 -5.11 2.79 0.13 -1.85 -3.46 132.00 138.82 2aqc h PRO 31 Ca -0.42 -0.20 -0.36 0.00 -0.87 0.00 0.00 66.00 64.15 2aqc h PRO 31 Cb 1.23 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2aqc h PRO 31 CO 0.96 0.76 -0.75 -1.59 -0.23 0.00 0.00 178.00 177.15 2aqc s LYS 32 N -4.32 0.85 0.96 0.86 -2.85 -1.26 -5.12 119.74 108.87 2aqc s LYS 32 Ca -0.14 -1.10 -0.12 0.00 -1.00 0.00 0.00 55.97 53.61 2aqc s LYS 32 Cb 0.05 -0.65 0.17 0.00 -2.06 0.00 0.00 37.83 35.34 2aqc s LYS 32 CO 0.76 0.12 1.09 -1.25 0.10 0.00 0.00 175.35 176.17 2aqc s PRO 33 N -2.45 0.73 0.55 1.78 0.04 -1.26 -4.99 135.00 129.40 2aqc s PRO 33 Ca 0.03 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 61.62 2aqc s PRO 33 Cb -0.05 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.86 2aqc s PRO 33 CO 0.01 -2.55 0.49 -0.35 0.04 0.00 0.00 177.00 174.64 2aqc n PRO 34 N -4.07 -1.97 0.00 0.56 -0.04 -1.26 -5.01 135.00 123.21 2aqc n PRO 34 Ca 0.06 -0.79 -0.19 0.00 -0.04 0.00 0.00 63.50 62.54 2aqc n PRO 34 Cb 0.56 -0.74 -0.14 0.00 -0.04 0.00 0.00 33.50 33.15 2aqc n PRO 34 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2aqc h LYS 35 N 0.00 0.20 -4.75 0.54 1.79 -2.03 -3.43 116.57 108.88 2aqc h LYS 35 Ca -0.19 -0.34 -0.67 0.00 -2.18 0.00 0.00 60.65 57.27 2aqc h LYS 35 Cb 0.56 0.13 -0.38 0.00 -1.58 0.00 0.00 32.23 30.96 2aqc h LYS 35 CO 0.12 1.16 -0.74 -0.59 -1.08 0.00 0.00 179.45 178.33 2aqc s PHE 36 N -2.39 3.52 -0.16 -1.35 -0.71 -1.26 -4.95 117.98 110.67 2aqc s PHE 36 Ca -0.17 -2.60 -0.09 0.00 -1.04 0.00 0.00 56.93 53.02 2aqc s PHE 36 Cb 0.01 -2.49 -0.23 0.00 -1.21 0.00 0.00 43.02 39.10 2aqc s PHE 36 CO 0.77 -0.91 0.26 0.45 -1.34 0.00 0.00 175.22 174.44 2aqc n SER 37 N 4.38 2.05 0.32 1.98 2.88 -1.26 -2.72 113.62 121.24 2aqc n SER 37 Ca -0.05 0.23 0.20 0.00 -1.33 0.00 0.00 58.87 57.92 2aqc n SER 37 Cb 0.42 -0.85 1.07 0.00 -0.75 0.00 0.00 64.21 64.11 2aqc n SER 37 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2aqc h LEU 38 N -0.20 0.00 0.00 2.46 5.85 -2.00 -1.08 115.31 120.33 2aqc h LEU 38 Ca -0.43 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.09 2aqc h LEU 38 Cb 1.85 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 2aqc h LEU 38 CO -0.01 0.00 -2.20 -0.62 -0.34 0.00 0.00 178.44 175.27 2aqc n GLU 39 N -3.31 0.68 -1.51 1.25 1.02 -1.26 -4.91 120.64 112.61 2aqc n GLU 39 Ca -0.02 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 2aqc n GLU 39 Cb 0.13 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 2aqc n GLU 39 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2aqc n ASP 40 N -2.53 1.77 0.27 1.62 8.00 -0.41 -4.77 116.55 120.51 2aqc n ASP 40 Ca -0.19 -0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.41 2aqc n ASP 40 Cb 0.88 -1.32 0.77 0.00 -0.02 0.00 0.00 41.12 41.44 2aqc n ASP 40 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2aqc h ARG 41 N 15.30 0.00 -0.70 -1.24 0.11 -1.91 -0.90 114.38 125.04 2aqc h ARG 41 Ca -0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.87 2aqc h ARG 41 Cb 1.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 2aqc h ARG 41 CO 1.17 0.08 0.00 0.91 0.10 0.00 0.00 179.97 182.23 2aqc n TRP 42 N -3.77 1.51 -0.05 4.08 7.02 -1.26 -4.44 117.44 120.53 2aqc n TRP 42 Ca -0.02 -0.52 0.20 0.00 -1.02 0.00 0.00 57.50 56.13 2aqc n TRP 42 Cb 0.19 -0.40 0.66 0.00 -2.42 0.00 0.00 31.31 29.33 2aqc n TRP 42 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2aqc h GLY 43 N 4.30 0.14 1.96 6.99 0.00 -1.47 0.87 103.07 115.86 2aqc h GLY 43 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 2aqc h GLY 43 CO 0.36 0.01 -0.89 0.07 0.00 0.00 0.00 176.54 176.09 2aqc h LYS 44 N 0.08 0.00 -0.12 4.80 2.10 -1.84 -3.23 116.57 118.37 2aqc h LYS 44 Ca 0.29 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.97 2aqc h LYS 44 Cb 1.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2aqc h LYS 44 CO -0.03 0.84 0.17 -0.92 -2.00 0.00 0.00 179.45 177.51 2aqc h TYR 45 N 0.00 0.00 0.03 0.07 3.20 -1.14 -2.99 116.97 116.14 2aqc h TYR 45 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2aqc h TYR 45 Cb 1.67 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.93 2aqc h TYR 45 CO 0.00 0.00 -0.07 0.00 -1.64 0.00 0.00 178.16 176.45 2aqc h ARG 46 N 0.00 -0.10 -0.90 1.82 2.47 -1.57 -0.73 114.38 115.37 2aqc h ARG 46 Ca 0.06 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.91 2aqc h ARG 46 Cb 0.39 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.64 2aqc h ARG 46 CO -0.00 -0.07 0.51 0.07 0.56 0.00 0.00 179.97 181.05 2aqc h ARG 47 N -0.10 0.75 -0.10 0.04 0.11 -1.77 0.24 114.38 113.55 2aqc h ARG 47 Ca -0.00 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 60.06 2aqc h ARG 47 Cb 0.10 -0.17 -0.00 0.00 1.11 0.00 0.00 29.97 31.01 2aqc h ARG 47 CO -0.03 0.50 0.15 0.52 0.10 0.00 0.00 179.97 181.21 2aqc h MET 48 N 0.77 0.00 0.00 0.08 2.86 -1.40 0.16 114.93 117.40 2aqc h MET 48 Ca 0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.07 2aqc h MET 48 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2aqc h MET 48 CO -0.31 0.00 -0.18 1.25 1.06 0.00 0.00 176.91 178.73 2aqc h LEU 49 N 0.00 0.00-10.14 1.22 6.46 0.10 -3.44 115.31 109.51 2aqc h LEU 49 Ca 0.05 0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.33 2aqc h LEU 49 Cb 0.35 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2aqc h LEU 49 CO -0.00 0.18 0.37 -0.54 -0.62 0.00 0.00 178.44 177.83 2aqc s LYS 50 N -3.70 3.76 -0.40 1.25 1.02 0.56 -4.98 119.74 117.25 2aqc s LYS 50 Ca 0.00 1.17 0.05 0.00 0.02 0.00 0.00 55.97 57.22 2aqc s LYS 50 Cb 0.10 -2.10 0.52 0.00 -0.52 0.00 0.00 37.83 35.83 2aqc s LYS 50 CO 0.62 -0.44 1.63 0.54 -0.92 0.00 0.00 175.35 176.77 2aqc n ARG 51 N -1.39 2.39 -2.99 1.68 3.00 -1.26 -4.79 116.66 113.30 2aqc n ARG 51 Ca 0.08 -3.35 0.01 0.00 -0.01 0.00 0.00 57.85 54.58 2aqc n ARG 51 Cb 0.53 -2.07 -0.00 0.00 0.00 0.00 0.00 32.46 30.93 2aqc n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2aqc s ALA 52 N -3.45 -3.31 -0.04 7.54 0.00 -1.26 -5.16 121.76 116.08 2aqc s ALA 52 Ca 0.52 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 2aqc s ALA 52 Cb 0.44 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2aqc s ALA 52 CO 0.02 -2.35 0.11 -1.17 0.00 0.00 0.00 175.76 172.37 2aqc s LEU 53 N 1.84 1.59 -0.38 0.00 1.98 -1.26 -5.03 118.68 117.42 2aqc s LEU 53 Ca 0.16 0.20 0.07 0.00 -2.89 0.00 0.00 54.13 51.68 2aqc s LEU 53 Cb -0.00 0.37 0.72 0.00 0.66 0.00 0.00 46.19 47.94 2aqc s LEU 53 CO -0.10 -0.05 1.86 0.29 -1.89 0.00 0.00 176.35 176.46 2aqc n LYS 54 N 2.97 3.17 -2.90 1.98 4.76 -1.26 -4.89 118.16 121.99 2aqc n LYS 54 Ca -0.13 -3.07 -0.19 0.00 -2.87 0.00 0.00 58.31 52.06 2aqc n LYS 54 Cb 0.59 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 2aqc n LYS 54 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2aqc n ASN 55 N -0.54 -4.28 -4.73 4.39 4.05 -1.26 -4.87 115.26 108.02 2aqc n ASN 55 Ca 0.49 -0.13 -0.42 0.00 0.45 0.00 0.00 54.58 54.97 2aqc n ASN 55 Cb 1.52 -3.56 -0.03 0.00 1.23 0.00 0.00 39.78 38.94 2aqc n ASN 55 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2aqc s LYS 56 N -5.53 4.16 0.02 1.20 1.02 -1.26 -5.01 119.74 114.34 2aqc s LYS 56 Ca 0.21 2.51 0.02 0.00 0.02 0.00 0.00 55.97 58.74 2aqc s LYS 56 Cb -0.11 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2aqc s LYS 56 CO 0.26 -0.67 -0.07 -0.80 -0.92 0.00 0.00 175.35 173.15 2aqc s ASN 57 N 0.99 0.78 -1.46 2.83 -0.87 -1.26 -4.84 114.94 111.12 2aqc s ASN 57 Ca 0.70 -0.32 -0.09 0.00 -1.57 0.00 0.00 52.86 51.59 2aqc s ASN 57 Cb -0.47 -0.02 0.06 0.00 -0.02 0.00 0.00 41.25 40.79 2aqc s ASN 57 CO 0.35 -0.06 0.88 0.29 -2.57 0.00 0.00 177.10 176.00 2aqc n LYS 58 N 2.23 -5.31 -3.90 -0.60 4.76 -1.26 -4.96 118.16 109.13 2aqc n LYS 58 Ca -0.18 0.60 -0.36 0.00 -2.87 0.00 0.00 58.31 55.51 2aqc n LYS 58 Cb 0.56 -5.37 -0.06 0.00 -1.84 0.00 0.00 35.03 28.33 2aqc n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aqc s ALA 59 N -3.44 3.90 -2.42 7.82 0.00 -1.26 -5.34 121.76 121.01 2aqc s ALA 59 Ca 0.43 -0.69 0.29 0.00 0.00 0.00 0.00 51.96 52.00 2aqc s ALA 59 Cb -0.22 -1.93 1.18 0.00 0.00 0.00 0.00 23.12 22.15 2aqc s ALA 59 CO 0.83 0.66 1.82 0.39 0.00 0.00 0.00 175.76 179.46