#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 7.12 0.29 1.61 0.01 -1.26 -5.08 113.70 116.39 2aqc s SER -1 Ca 0.00 1.48 0.03 0.00 1.31 0.00 0.00 55.95 58.77 2aqc s SER -1 Cb 0.00 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2aqc s SER -1 CO 0.00 0.05 0.05 -1.00 0.41 0.00 0.00 173.24 172.74 2aqc s HIS 0 N -1.48 1.80 0.43 2.43 3.76 -1.26 -5.12 115.29 115.84 2aqc s HIS 0 Ca 0.43 -0.98 -0.25 0.00 -0.15 0.00 0.00 55.06 54.11 2aqc s HIS 0 Cb -0.18 -1.12 -0.10 0.00 1.11 0.00 0.00 32.58 32.30 2aqc s HIS 0 CO 0.22 -0.06 1.18 0.00 -0.85 0.00 0.00 174.74 175.23 2aqc n MET 1 N -0.58 1.70 -3.71 1.40 -0.00 -1.26 -5.01 117.12 109.65 2aqc n MET 1 Ca -0.03 0.61 -0.12 0.00 -0.00 0.00 0.00 57.70 58.16 2aqc n MET 1 Cb 0.66 -2.28 -0.10 0.00 -0.00 0.00 0.00 33.22 31.50 2aqc n MET 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2aqc s VAL 2 N -1.23 -0.01 -0.42 3.17 0.11 -1.26 -5.13 120.40 115.63 2aqc s VAL 2 Ca 0.63 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 59.45 2aqc s VAL 2 Cb -0.52 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2aqc s VAL 2 CO 0.57 0.02 0.98 -0.70 -3.33 0.00 0.00 175.10 172.64 2aqc s GLU 3 N 0.74 3.72 0.14 1.54 2.12 -1.26 -4.87 118.70 120.82 2aqc s GLU 3 Ca -0.04 0.46 -0.24 0.00 0.36 0.00 0.00 54.97 55.51 2aqc s GLU 3 Cb -0.05 -3.87 0.07 0.00 0.26 0.00 0.00 34.13 30.54 2aqc s GLU 3 CO -0.05 -1.14 0.61 1.41 -0.54 0.00 0.00 175.26 175.55 2aqc s MET 4 N 3.81 1.25 0.33 4.30 1.75 -1.26 -4.95 119.30 124.53 2aqc s MET 4 Ca 0.40 -0.41 0.24 0.00 -1.25 0.00 0.00 55.69 54.68 2aqc s MET 4 Cb -0.10 0.58 1.17 0.00 2.84 0.00 0.00 34.83 39.32 2aqc s MET 4 CO 0.24 -0.54 1.74 0.07 -0.65 0.00 0.00 175.02 175.88 2aqc h ARG 5 N 2.08 0.00 -6.52 4.11 0.11 -1.99 -3.44 114.38 108.72 2aqc h ARG 5 Ca -0.33 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.15 2aqc h ARG 5 Cb 1.30 0.00 0.10 0.00 1.11 0.00 0.00 29.97 32.48 2aqc h ARG 5 CO 0.38 0.00 0.27 -0.12 0.10 0.00 0.00 179.97 180.60 2aqc n MET 6 N -2.34 1.56 -4.59 0.08 1.56 -1.26 -4.96 117.12 107.16 2aqc n MET 6 Ca 0.00 0.55 -0.31 0.00 -0.27 0.00 0.00 57.70 57.67 2aqc n MET 6 Cb 0.13 -2.01 -0.07 0.00 2.15 0.00 0.00 33.22 33.43 2aqc n MET 6 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2aqc s LYS 7 N -1.36 2.18 0.02 2.12 0.00 0.15 -4.80 119.74 118.06 2aqc s LYS 7 Ca 0.61 -2.29 0.02 0.00 0.00 0.00 0.00 55.97 54.30 2aqc s LYS 7 Cb -0.69 -1.65 -0.01 0.00 0.00 0.00 0.00 37.83 35.48 2aqc s LYS 7 CO 0.58 -0.35 -0.06 0.21 0.00 0.00 0.00 175.35 175.74 2aqc s LYS 8 N -3.92 0.41 -0.21 1.78 2.20 0.80 -1.11 119.74 119.70 2aqc s LYS 8 Ca 0.15 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 2aqc s LYS 8 Cb 0.02 -0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.07 2aqc s LYS 8 CO 0.08 0.05 1.46 0.00 -0.36 0.00 0.00 175.35 176.59 2aqc n PRO 10 N 7.28 0.22 -0.09 0.00 -0.04 -1.26 0.18 135.00 141.28 2aqc n PRO 10 Ca 0.16 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 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 0.67 -0.02 0.54 4.01 -1.26 -4.83 118.16 115.99 2aqc n LYS 11 Ca 0.07 0.22 -0.06 0.00 -0.51 0.00 0.00 58.31 58.03 2aqc n LYS 11 Cb 0.11 -1.58 -0.02 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 2.53 1.91 3.77 0.00 0.00 0.13 -5.00 105.19 108.53 2aqc n GLY 13 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 4.39 0.22 0.99 2.96 -1.26 -4.71 118.68 121.27 2aqc s LEU 14 Ca 0.00 0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 54.67 2aqc s LEU 14 Cb 0.00 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 2aqc s LEU 14 CO 0.00 0.15 0.74 -0.31 -1.32 0.00 0.00 176.35 175.61 2aqc s TYR 15 N -0.22 3.67 -0.01 5.38 1.51 -1.26 -1.36 117.35 125.06 2aqc s TYR 15 Ca 0.26 1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 57.45 2aqc s TYR 15 Cb -0.17 -2.65 0.12 0.00 -0.11 0.00 0.00 41.96 39.16 2aqc s TYR 15 CO 0.13 0.34 1.28 -0.08 -1.11 0.00 0.00 175.55 176.11 2aqc s THR 16 N -1.50 0.00 0.00 -0.71 -1.32 -0.27 -4.99 115.64 106.85 2aqc s THR 16 Ca 0.43 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2aqc s THR 16 Cb -0.17 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2aqc s THR 16 CO 0.21 0.00 0.61 0.18 -2.21 0.00 0.00 174.62 173.41 2aqc n LEU 17 N -0.51 1.22 0.00 9.08 4.77 -1.26 -0.67 117.00 129.63 2aqc n LEU 17 Ca -0.08 -1.22 0.14 0.00 -0.03 0.00 0.00 56.01 54.83 2aqc n LEU 17 Cb 0.63 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.51 2aqc n LEU 17 CO 0.12 0.30 1.02 0.29 -1.33 0.00 0.00 177.39 177.80 2aqc n LYS 18 N -0.11 0.64 -0.99 3.23 4.76 -1.26 -4.86 118.16 119.58 2aqc n LYS 18 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2aqc n LYS 18 Cb 0.05 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.16 -1.55 -3.80 1.97 1.02 -1.26 -4.93 120.64 110.93 2aqc n GLU 19 Ca 0.18 0.39 -0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2aqc n GLU 19 Cb 0.17 -4.59 -0.13 0.00 -0.02 0.00 0.00 31.44 26.87 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 -1.21 -0.01 -0.36 -3.67 -1.09 -1.26 -1.57 121.20 112.03 2aqc s ILE 20 Ca 0.00 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 2aqc s ILE 20 Cb 0.00 -0.23 0.01 0.00 -1.58 0.00 0.00 42.46 40.67 2aqc s ILE 20 CO 0.00 0.02 1.19 0.00 -1.23 0.00 0.00 174.94 174.92 2aqc n PRO 22 N 7.33 0.16 -0.06 0.00 -0.04 -1.26 0.41 135.00 141.54 2aqc n PRO 22 Ca 0.13 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2aqc n PRO 22 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.43 116.57 113.35 2aqc h LYS 23 Ca 0.00 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 2aqc h LYS 23 Cb 0.16 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2aqc h LYS 23 CO 0.00 0.00 -2.23 0.00 -3.45 0.00 0.00 179.45 173.77 2aqc n GLY 25 N 2.44 1.17 3.59 0.00 0.00 0.17 -5.04 105.19 107.52 2aqc n GLY 25 Ca -0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 1.29 -2.04 1.61 4.07 -1.26 -3.91 120.64 120.40 2aqc n GLU 26 Ca 0.00 0.46 -0.39 0.00 -0.06 0.00 0.00 57.16 57.17 2aqc n GLU 26 Cb 0.00 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.45 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 -1.83 3.73 0.32 5.31 1.02 -1.26 -0.13 119.74 126.89 2aqc s LYS 27 Ca 0.62 2.08 -0.12 0.00 0.02 0.00 0.00 55.97 58.56 2aqc s LYS 27 Cb -0.60 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 2aqc s LYS 27 CO 0.58 -0.67 0.69 0.95 -0.92 0.00 0.00 175.35 175.98 2aqc s THR 28 N -1.35 4.78 0.15 2.17 -4.23 -0.61 -4.53 115.64 112.04 2aqc s THR 28 Ca 0.62 0.71 0.05 0.00 -1.18 0.00 0.00 61.69 61.88 2aqc s THR 28 Cb -0.36 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2aqc s THR 28 CO 0.45 -0.24 -0.11 0.68 -0.54 0.00 0.00 174.62 174.87 2aqc s VAL 29 N -2.03 1.22 -0.18 2.29 -7.23 0.96 -4.79 120.40 110.63 2aqc s VAL 29 Ca 0.51 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2aqc s VAL 29 Cb -0.10 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 2aqc s VAL 29 CO 0.22 -0.73 2.00 -0.63 -0.31 0.00 0.00 175.10 175.65 2aqc s ILE 30 N -3.28 3.20 -0.00 -0.62 -1.09 -1.26 -0.14 121.20 118.00 2aqc s ILE 30 Ca 0.17 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.57 2aqc s ILE 30 Cb 0.02 -3.22 -0.19 0.00 -1.58 0.00 0.00 42.46 37.49 2aqc s ILE 30 CO 0.01 -0.11 1.29 1.55 -1.23 0.00 0.00 174.94 176.45 2aqc h PRO 31 N 13.00 0.10 -5.47 2.79 0.13 -1.87 -3.47 132.00 137.22 2aqc h PRO 31 Ca -0.41 -0.06 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 2aqc h PRO 31 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 2aqc h PRO 31 CO 0.97 0.56 -0.75 0.15 -0.23 0.00 0.00 178.00 178.71 2aqc s LYS 32 N -4.26 1.17 0.95 0.86 -0.14 -1.26 -5.11 119.74 111.94 2aqc s LYS 32 Ca -0.15 -1.42 -0.12 0.00 -1.36 0.00 0.00 55.97 52.92 2aqc s LYS 32 Cb 0.03 -0.98 0.16 0.00 -1.68 0.00 0.00 37.83 35.35 2aqc s LYS 32 CO 0.70 0.17 1.09 -1.25 -0.76 0.00 0.00 175.35 175.30 2aqc s PRO 33 N -3.20 0.83 0.03 -1.68 0.04 -1.26 -4.97 135.00 124.78 2aqc s PRO 33 Ca 0.16 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2aqc s PRO 33 Cb -0.02 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2aqc s PRO 33 CO 0.04 -2.50 1.42 -1.25 0.04 0.00 0.00 177.00 174.76 2aqc s PRO 34 N -4.95 4.28 -0.15 0.56 0.04 -1.26 -4.91 135.00 128.62 2aqc s PRO 34 Ca 0.64 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 2aqc s PRO 34 Cb -0.18 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 2aqc s PRO 34 CO 0.57 -0.56 1.13 0.21 0.04 0.00 0.00 177.00 178.39 2aqc s LYS 35 N 2.13 4.30 -0.30 4.56 2.36 -1.26 -4.99 119.74 126.54 2aqc s LYS 35 Ca 0.65 1.51 0.02 0.00 -2.55 0.00 0.00 55.97 55.60 2aqc s LYS 35 Cb -0.33 -3.64 0.19 0.00 -1.05 0.00 0.00 37.83 33.00 2aqc s LYS 35 CO 0.28 -0.56 0.61 0.12 1.55 0.00 0.00 175.35 177.35 2aqc s PHE 36 N 2.88 -1.69 -0.28 4.03 5.36 -1.26 -4.82 117.98 122.19 2aqc s PHE 36 Ca 0.50 1.39 -0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2aqc s PHE 36 Cb -0.19 0.44 0.17 0.00 -0.34 0.00 0.00 43.02 43.10 2aqc s PHE 36 CO 0.14 -0.96 0.50 -1.54 -1.46 0.00 0.00 175.22 171.90 2aqc s SER 37 N 2.85 -0.67 -0.03 6.13 1.04 -1.26 -5.02 113.70 116.73 2aqc s SER 37 Ca 0.16 0.44 0.14 0.00 0.48 0.00 0.00 55.95 57.16 2aqc s SER 37 Cb -0.12 1.68 -0.21 0.00 0.10 0.00 0.00 66.02 67.46 2aqc s SER 37 CO -0.23 -0.29 0.65 -0.11 0.98 0.00 0.00 173.24 174.24 2aqc n LEU 38 N 5.40 0.80 0.15 2.42 0.00 -1.26 -4.04 117.00 120.47 2aqc n LEU 38 Ca -0.01 0.38 0.04 0.00 0.00 0.00 0.00 56.01 56.42 2aqc n LEU 38 Cb 0.51 0.18 0.04 0.00 0.00 0.00 0.00 43.42 44.15 2aqc n LEU 38 CO 0.02 0.34 0.47 1.05 0.00 0.00 0.00 177.39 179.28 2aqc h GLU 39 N 0.00 0.00 -5.53 1.96 4.11 -2.06 -3.43 114.58 109.62 2aqc h GLU 39 Ca -0.28 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.80 2aqc h GLU 39 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2aqc h GLU 39 CO 0.07 0.39 1.26 -0.25 0.07 0.00 0.00 179.01 180.55 2aqc n ASP 40 N -3.17 2.14 -0.14 3.06 9.92 -1.26 -4.79 116.55 122.32 2aqc n ASP 40 Ca 0.02 -0.74 -0.11 0.00 -0.53 0.00 0.00 54.79 53.43 2aqc n ASP 40 Cb 0.70 -1.59 -0.02 0.00 -0.64 0.00 0.00 41.12 39.58 2aqc n ASP 40 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2aqc h ARG 41 N 17.84 0.76 0.00 -1.24 0.11 -1.92 -3.31 114.38 126.63 2aqc h ARG 41 Ca -0.18 -0.29 -0.11 0.00 0.10 0.00 0.00 59.98 59.49 2aqc h ARG 41 Cb 1.21 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2aqc h ARG 41 CO 1.13 0.90 -1.87 0.91 0.10 0.00 0.00 179.97 181.14 2aqc n TRP 42 N -4.34 0.00 0.00 4.08 7.02 -1.26 -5.02 117.44 117.92 2aqc n TRP 42 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2aqc n TRP 42 Cb 0.36 -0.53 0.00 0.00 -2.42 0.00 0.00 31.31 28.72 2aqc n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2aqc n GLY 43 N 1.77 1.22 0.45 6.99 0.00 -1.25 -3.77 105.19 110.60 2aqc n GLY 43 Ca -0.12 0.40 0.26 0.00 0.00 0.00 0.00 46.02 46.56 2aqc n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqc h LYS 44 N 0.00 0.02 -0.88 1.61 1.57 -1.95 0.89 116.57 117.83 2aqc h LYS 44 Ca 0.00 -0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2aqc h LYS 44 Cb 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2aqc h LYS 44 CO 0.00 0.01 0.58 -0.92 -0.57 0.00 0.00 179.45 178.55 2aqc h TYR 45 N 0.02 0.58 -0.57 -1.35 3.20 -1.95 -0.29 116.97 116.60 2aqc h TYR 45 Ca 0.39 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.29 2aqc h TYR 45 Cb 1.54 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 2aqc h TYR 45 CO -0.00 0.17 0.36 -0.09 -1.64 0.00 0.00 178.16 176.96 2aqc h ARG 46 N 0.45 0.70 -0.95 1.82 1.12 -1.15 0.15 114.38 116.52 2aqc h ARG 46 Ca 0.45 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.38 2aqc h ARG 46 Cb 1.05 -0.16 -0.07 0.00 -0.01 0.00 0.00 29.97 30.79 2aqc h ARG 46 CO -0.18 0.47 0.61 -0.09 -3.11 0.00 0.00 179.97 177.67 2aqc h ARG 47 N 0.72 0.95 -0.66 0.20 9.65 -1.18 -1.73 114.38 122.33 2aqc h ARG 47 Ca 0.22 -0.06 -0.43 0.00 -1.10 0.00 0.00 59.98 58.61 2aqc h ARG 47 Cb -0.02 -0.21 -0.26 0.00 -1.39 0.00 0.00 29.97 28.08 2aqc h ARG 47 CO -0.08 0.63 -0.06 -0.12 2.80 0.00 0.00 179.97 183.14 2aqc n MET 48 N -4.55 2.62 0.17 0.20 1.56 -0.83 -4.62 117.12 111.68 2aqc n MET 48 Ca 0.16 -3.52 0.13 0.00 -0.27 0.00 0.00 57.70 54.20 2aqc n MET 48 Cb 0.30 -2.09 0.42 0.00 2.15 0.00 0.00 33.22 33.99 2aqc n MET 48 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 2aqc h LEU 49 N 1.61 0.00-10.50 -0.89 8.10 0.23 -3.45 115.31 110.41 2aqc h LEU 49 Ca 0.38 0.00 -0.45 0.00 0.11 0.00 0.00 57.88 57.92 2aqc h LEU 49 Cb 1.48 0.00 0.06 0.00 -0.44 0.00 0.00 40.66 41.76 2aqc h LEU 49 CO 0.83 0.00 0.10 -0.54 -4.11 0.00 0.00 178.44 174.72 2aqc s LYS 50 N -3.29 2.54 -0.05 0.17 -0.14 -1.26 -5.03 119.74 112.68 2aqc s LYS 50 Ca 0.06 -0.39 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 2aqc s LYS 50 Cb 0.09 -2.33 -0.10 0.00 -1.68 0.00 0.00 37.83 33.82 2aqc s LYS 50 CO 0.56 -0.87 0.06 0.54 -0.76 0.00 0.00 175.35 174.88 2aqc n ARG 51 N -2.59 2.11 -3.63 1.68 5.12 -1.26 -4.96 116.66 113.13 2aqc n ARG 51 Ca 0.07 -0.02 -0.38 0.00 -1.93 0.00 0.00 57.85 55.59 2aqc n ARG 51 Cb 0.59 -1.18 -0.11 0.00 -1.16 0.00 0.00 32.46 30.60 2aqc n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2aqc s ALA 52 N -2.27 3.43 -0.24 7.54 0.00 -1.26 -5.06 121.76 123.90 2aqc s ALA 52 Ca -0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 2aqc s ALA 52 Cb 0.03 -2.39 0.07 0.00 0.00 0.00 0.00 23.12 20.83 2aqc s ALA 52 CO 0.30 -0.56 0.62 -1.17 0.00 0.00 0.00 175.76 174.94 2aqc s LEU 53 N 1.72 -0.58 -0.13 0.00 2.96 -1.26 -5.04 118.68 116.35 2aqc s LEU 53 Ca 0.07 1.31 0.13 0.00 -0.22 0.00 0.00 54.13 55.42 2aqc s LEU 53 Cb -0.16 2.12 -0.19 0.00 0.50 0.00 0.00 46.19 48.46 2aqc s LEU 53 CO 0.09 -0.22 0.09 2.29 -1.32 0.00 0.00 176.35 177.28 2aqc n LYS 54 N 3.67 1.49 -2.62 1.98 0.00 -1.26 -4.90 118.16 116.52 2aqc n LYS 54 Ca -0.18 -0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 57.68 2aqc n LYS 54 Cb 0.57 -1.37 -0.02 0.00 -0.00 0.00 0.00 35.03 34.21 2aqc n LYS 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2aqc s ASN 55 N -4.63 6.56 0.11 -5.58 0.01 -1.26 -5.02 114.94 105.13 2aqc s ASN 55 Ca -0.07 0.30 0.02 0.00 -0.71 0.00 0.00 52.86 52.40 2aqc s ASN 55 Cb 0.05 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2aqc s ASN 55 CO 0.60 -1.30 0.24 -1.59 -1.51 0.00 0.00 177.10 173.54 2aqc s LYS 56 N 4.52 3.40 -0.28 -0.60 -2.85 -1.26 -5.10 119.74 117.57 2aqc s LYS 56 Ca 0.45 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.97 54.87 2aqc s LYS 56 Cb -0.08 -2.98 0.18 0.00 -2.06 0.00 0.00 37.83 32.89 2aqc s LYS 56 CO 0.29 0.55 0.53 0.54 0.10 0.00 0.00 175.35 177.37 2aqc s ASN 57 N -2.93 -0.88 -0.22 0.03 2.20 -1.26 -5.04 114.94 106.84 2aqc s ASN 57 Ca 0.34 0.51 -0.13 0.00 -0.94 0.00 0.00 52.86 52.65 2aqc s ASN 57 Cb -0.12 1.80 -0.18 0.00 -2.00 0.00 0.00 41.25 40.76 2aqc s ASN 57 CO 0.28 -0.28 0.00 0.29 -2.94 0.00 0.00 177.10 174.45 2aqc n LYS 58 N 5.41 0.63 -4.09 3.55 4.76 -1.26 -5.02 118.16 122.13 2aqc n LYS 58 Ca -0.01 0.35 -0.08 0.00 -2.87 0.00 0.00 58.31 55.71 2aqc n LYS 58 Cb 0.51 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 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 -2.47 0.55 -1.81 7.82 0.00 -1.26 -5.30 121.76 119.29 2aqc s ALA 59 Ca -0.31 -1.15 0.14 0.00 0.00 0.00 0.00 51.96 50.64 2aqc s ALA 59 Cb 0.09 0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.56 2aqc s ALA 59 CO 0.60 -0.31 0.96 -0.85 0.00 0.00 0.00 175.76 176.15