#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 6.65 0.44 1.61 1.04 -1.26 -4.97 113.70 117.21 2aqc s SER -1 Ca 0.00 2.02 -0.25 0.00 0.48 0.00 0.00 55.95 58.20 2aqc s SER -1 Cb 0.00 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 2aqc s SER -1 CO 0.00 -0.97 1.29 -1.00 0.98 0.00 0.00 173.24 173.54 2aqc s HIS 0 N 4.22 2.73 0.49 5.02 0.09 -1.26 -5.04 115.29 121.54 2aqc s HIS 0 Ca 0.70 1.42 0.04 0.00 -0.00 0.00 0.00 55.06 57.22 2aqc s HIS 0 Cb -0.30 -3.65 -0.02 0.00 -0.00 0.00 0.00 32.58 28.62 2aqc s HIS 0 CO 0.27 -2.15 0.13 -1.64 -0.00 0.00 0.00 174.74 171.35 2aqc s MET 1 N -2.43 2.19 0.18 1.40 1.00 -1.26 -5.14 119.30 115.23 2aqc s MET 1 Ca 0.60 -2.19 -0.11 0.00 0.00 0.00 0.00 55.69 54.00 2aqc s MET 1 Cb -0.37 -1.75 -0.07 0.00 0.00 0.00 0.00 34.83 32.64 2aqc s MET 1 CO 0.46 -0.34 0.53 0.54 0.00 0.00 0.00 175.02 176.21 2aqc s VAL 2 N -2.79 4.92 1.41 -6.03 0.11 -1.26 -5.08 120.40 111.69 2aqc s VAL 2 Ca 0.22 0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 59.65 2aqc s VAL 2 Cb 0.02 -3.67 0.36 0.00 -1.53 0.00 0.00 36.38 31.57 2aqc s VAL 2 CO 0.12 0.10 0.94 -1.61 -3.33 0.00 0.00 175.10 171.32 2aqc s GLU 3 N -2.37 -2.86 -0.01 1.54 8.01 -1.26 -5.06 118.70 116.69 2aqc s GLU 3 Ca 0.42 0.12 0.01 0.00 0.01 0.00 0.00 54.97 55.52 2aqc s GLU 3 Cb -0.13 -1.39 0.01 0.00 -4.31 0.00 0.00 34.13 28.31 2aqc s GLU 3 CO 0.20 -4.83 -0.01 -1.64 0.01 0.00 0.00 175.26 168.99 2aqc s MET 4 N -5.10 0.18 0.41 1.61 -1.94 -1.26 -5.03 119.30 108.17 2aqc s MET 4 Ca 0.69 -0.01 0.10 0.00 -1.71 0.00 0.00 55.69 54.76 2aqc s MET 4 Cb -0.13 -0.25 0.87 0.00 2.01 0.00 0.00 34.83 37.34 2aqc s MET 4 CO 0.58 -0.02 1.97 -0.09 -0.01 0.00 0.00 175.02 177.45 2aqc h ARG 5 N 6.49 0.23 -7.27 2.03 2.43 -2.01 -3.43 114.38 112.85 2aqc h ARG 5 Ca -0.32 -0.04 -0.50 0.00 -0.81 0.00 0.00 59.98 58.31 2aqc h ARG 5 Cb 1.18 -0.04 0.09 0.00 -0.42 0.00 0.00 29.97 30.78 2aqc h ARG 5 CO 0.50 0.31 0.37 1.41 -1.51 0.00 0.00 179.97 181.04 2aqc s MET 6 N -4.87 3.01 0.36 0.20 1.75 -1.26 -4.99 119.30 113.50 2aqc s MET 6 Ca -0.06 1.11 0.03 0.00 -1.25 0.00 0.00 55.69 55.52 2aqc s MET 6 Cb 0.16 -1.99 -0.04 0.00 2.84 0.00 0.00 34.83 35.80 2aqc s MET 6 CO 0.72 -1.05 0.11 -1.59 -0.65 0.00 0.00 175.02 172.56 2aqc s LYS 7 N -4.58 1.77 0.01 4.11 -2.85 -0.55 -4.71 119.74 112.95 2aqc s LYS 7 Ca 0.61 -2.04 -0.02 0.00 -1.00 0.00 0.00 55.97 53.52 2aqc s LYS 7 Cb -0.16 -0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 35.03 2aqc s LYS 7 CO 0.47 -0.39 0.02 0.21 0.10 0.00 0.00 175.35 175.77 2aqc s LYS 8 N -3.80 0.33 -0.19 1.78 2.20 0.66 -0.91 119.74 119.81 2aqc s LYS 8 Ca 0.30 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 2aqc s LYS 8 Cb 0.05 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2aqc s LYS 8 CO 0.15 -0.06 1.47 0.00 -0.36 0.00 0.00 175.35 176.55 2aqc n PRO 10 N 7.22 0.20 -0.09 0.00 -0.04 -1.26 0.21 135.00 141.23 2aqc n PRO 10 Ca 0.16 0.15 -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 -1.30 0.66 -0.04 0.54 4.01 -1.26 -4.82 118.16 115.96 2aqc n LYS 11 Ca 0.07 0.25 -0.08 0.00 -0.51 0.00 0.00 58.31 58.04 2aqc n LYS 11 Cb 0.12 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.02 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 2.35 1.84 3.74 0.00 0.00 0.13 -5.00 105.19 108.26 2aqc n GLY 13 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 4.25 0.34 0.99 2.96 -1.26 -4.73 118.68 121.23 2aqc s LEU 14 Ca 0.00 0.45 -0.25 0.00 -0.22 0.00 0.00 54.13 54.11 2aqc s LEU 14 Cb 0.00 -2.29 -0.10 0.00 0.50 0.00 0.00 46.19 44.30 2aqc s LEU 14 CO 0.00 0.14 0.93 -0.31 -1.32 0.00 0.00 176.35 175.80 2aqc s TYR 15 N 0.31 3.62 -0.01 5.38 1.51 -1.26 -1.41 117.35 125.49 2aqc s TYR 15 Ca 0.14 1.73 -0.29 0.00 -1.01 0.00 0.00 57.07 57.64 2aqc s TYR 15 Cb -0.13 -2.89 0.11 0.00 -0.11 0.00 0.00 41.96 38.94 2aqc s TYR 15 CO 0.03 0.16 1.27 -0.08 -1.11 0.00 0.00 175.55 175.82 2aqc s THR 16 N -1.72 0.00 0.00 -0.71 -1.32 -0.09 -4.98 115.64 106.82 2aqc s THR 16 Ca 0.52 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 2aqc s THR 16 Cb -0.17 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2aqc s THR 16 CO 0.22 0.00 0.51 0.18 -2.21 0.00 0.00 174.62 173.31 2aqc n LEU 17 N -0.68 0.94 -0.01 9.08 4.77 -1.26 -1.47 117.00 128.36 2aqc n LEU 17 Ca -0.03 -0.94 0.15 0.00 -0.03 0.00 0.00 56.01 55.17 2aqc n LEU 17 Cb 0.61 0.00 0.84 0.00 -2.33 0.00 0.00 43.42 42.54 2aqc n LEU 17 CO 0.14 0.23 1.06 0.29 -1.33 0.00 0.00 177.39 177.78 2aqc n LYS 18 N -0.10 0.75 -1.02 3.23 5.02 -1.26 -4.87 118.16 119.91 2aqc n LYS 18 Ca 0.00 -0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.26 2aqc n LYS 18 Cb 0.14 -1.50 -0.00 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 -1.10 -1.67 -3.77 1.97 1.02 -1.26 -4.93 120.64 110.90 2aqc n GLU 19 Ca 0.19 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2aqc n GLU 19 Cb 0.18 -4.71 -0.13 0.00 -0.02 0.00 0.00 31.44 26.76 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 -0.03 -0.30 -3.67 -1.09 -1.26 -1.61 121.20 112.04 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 -0.28 -0.00 0.00 -1.58 0.00 0.00 42.46 40.60 2aqc s ILE 20 CO 0.00 0.04 1.36 0.00 -1.23 0.00 0.00 174.94 175.11 2aqc n PRO 22 N 7.42 0.21 -0.05 0.00 -0.04 -1.26 0.40 135.00 141.68 2aqc n PRO 22 Ca 0.15 0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.73 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 -3.44 116.57 113.35 2aqc h LYS 23 Ca 0.00 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.43 2aqc h LYS 23 Cb 0.14 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.70 2aqc h LYS 23 CO 0.00 0.00 -2.39 0.00 -3.45 0.00 0.00 179.45 173.61 2aqc n GLY 25 N 2.20 1.00 3.59 0.00 0.00 0.16 -5.03 105.19 107.11 2aqc n GLY 25 Ca -0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 1.32 -1.94 1.61 4.07 -1.26 -3.86 120.64 120.58 2aqc n GLU 26 Ca 0.00 0.47 -0.39 0.00 -0.06 0.00 0.00 57.16 57.18 2aqc n GLU 26 Cb 0.00 -1.90 0.01 0.00 -0.06 0.00 0.00 31.44 29.50 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 -1.71 3.68 0.45 5.31 1.02 -1.26 -0.29 119.74 126.93 2aqc s LYS 27 Ca 0.60 2.21 -0.07 0.00 0.02 0.00 0.00 55.97 58.74 2aqc s LYS 27 Cb -0.64 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 2aqc s LYS 27 CO 0.59 -0.75 0.77 0.95 -0.92 0.00 0.00 175.35 175.99 2aqc s THR 28 N -1.28 4.88 0.07 2.17 -4.23 -0.63 -4.55 115.64 112.06 2aqc s THR 28 Ca 0.62 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.46 2aqc s THR 28 Cb -0.39 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.60 2aqc s THR 28 CO 0.49 -0.72 -0.07 0.68 -0.54 0.00 0.00 174.62 174.46 2aqc s VAL 29 N -2.60 0.56 -0.20 2.29 -7.23 0.88 -4.83 120.40 109.27 2aqc s VAL 29 Ca 0.48 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2aqc s VAL 29 Cb -0.10 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 2aqc s VAL 29 CO 0.40 -0.65 1.99 -0.63 -0.31 0.00 0.00 175.10 175.89 2aqc s ILE 30 N -2.58 3.23 -1.05 -0.62 -1.09 -1.26 -0.25 121.20 117.58 2aqc s ILE 30 Ca 0.01 0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 58.44 2aqc s ILE 30 Cb -0.02 -3.26 -0.07 0.00 -1.58 0.00 0.00 42.46 37.53 2aqc s ILE 30 CO -0.03 -0.14 1.94 -2.16 -1.23 0.00 0.00 174.94 173.32 2aqc s PRO 31 N 5.60 2.53 0.91 2.79 0.04 -1.26 -4.91 135.00 140.69 2aqc s PRO 31 Ca 0.89 -0.76 -0.10 0.00 0.04 0.00 0.00 61.00 61.07 2aqc s PRO 31 Cb -0.31 -5.16 0.14 0.00 0.04 0.00 0.00 34.50 29.21 2aqc s PRO 31 CO 0.35 -3.68 1.13 0.15 0.04 0.00 0.00 177.00 174.99 2aqc s LYS 32 N 6.71 1.11 0.96 4.56 1.02 -1.26 -5.00 119.74 127.83 2aqc s LYS 32 Ca 0.69 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 58.01 2aqc s LYS 32 Cb -0.04 -1.75 0.17 0.00 -0.52 0.00 0.00 37.83 35.70 2aqc s LYS 32 CO 0.06 -2.54 1.09 -1.25 -0.92 0.00 0.00 175.35 171.80 2aqc s PRO 33 N -4.68 0.74 1.17 -1.68 0.04 -1.26 -5.05 135.00 124.28 2aqc s PRO 33 Ca 0.66 0.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 2aqc s PRO 33 Cb -0.22 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.85 2aqc s PRO 33 CO 0.58 -2.55 1.04 -0.35 0.04 0.00 0.00 177.00 175.76 2aqc n PRO 34 N -4.07 -3.05 -1.62 0.56 -0.04 -1.26 -5.00 135.00 120.51 2aqc n PRO 34 Ca 0.06 -1.66 -0.33 0.00 -0.04 0.00 0.00 63.50 61.53 2aqc n PRO 34 Cb 0.56 -1.56 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 2aqc n PRO 34 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2aqc s LYS 35 N -5.36 2.56 -0.08 0.54 -2.85 -1.26 -4.98 119.74 108.31 2aqc s LYS 35 Ca 0.67 1.47 0.09 0.00 -1.00 0.00 0.00 55.97 57.20 2aqc s LYS 35 Cb -0.07 -1.91 -0.12 0.00 -2.06 0.00 0.00 37.83 33.67 2aqc s LYS 35 CO 0.52 -1.45 0.06 1.97 0.10 0.00 0.00 175.35 176.55 2aqc n PHE 36 N -2.60 0.00 -4.36 1.78 1.16 -1.26 -5.05 117.46 107.13 2aqc n PHE 36 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.50 2aqc n PHE 36 Cb 0.52 -0.41 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 2aqc n PHE 36 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2aqc s SER 37 N -3.96 2.26 0.57 5.98 0.01 -1.26 -4.97 113.70 112.34 2aqc s SER 37 Ca -0.04 -1.18 0.26 0.00 1.31 0.00 0.00 55.95 56.30 2aqc s SER 37 Cb 0.03 -0.08 1.67 0.00 0.21 0.00 0.00 66.02 67.86 2aqc s SER 37 CO 0.38 -0.40 2.21 -0.07 0.41 0.00 0.00 173.24 175.77 2aqc h LEU 38 N 2.42 0.00 -7.92 2.44 -0.00 -2.05 -3.38 115.31 106.83 2aqc h LEU 38 Ca -0.39 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 56.86 2aqc h LEU 38 Cb 1.22 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 41.52 2aqc h LEU 38 CO 0.65 0.00 -0.83 -1.83 -0.00 0.00 0.00 178.44 176.43 2aqc s GLU 39 N -4.75 2.43 0.14 1.13 -1.05 -1.26 -5.02 118.70 110.33 2aqc s GLU 39 Ca -0.05 -0.75 0.09 0.00 -0.15 0.00 0.00 54.97 54.11 2aqc s GLU 39 Cb 0.16 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 2aqc s GLU 39 CO 0.58 -0.29 -0.21 -0.51 0.95 0.00 0.00 175.26 175.78 2aqc s ASP 40 N 1.39 2.76 0.02 0.83 1.11 -1.26 -5.00 116.67 116.51 2aqc s ASP 40 Ca 0.03 -0.79 -0.12 0.00 0.18 0.00 0.00 52.55 51.85 2aqc s ASP 40 Cb -0.14 -0.17 -0.07 0.00 1.07 0.00 0.00 42.92 43.62 2aqc s ASP 40 CO -0.10 0.03 1.18 -0.09 1.18 0.00 0.00 175.17 177.37 2aqc h ARG 41 N 3.61 -0.40 0.00 8.23 1.12 -2.00 -3.27 114.38 121.67 2aqc h ARG 41 Ca -0.45 0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.31 2aqc h ARG 41 Cb 1.19 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 31.22 2aqc h ARG 41 CO 0.45 -0.27 -2.10 1.87 -3.11 0.00 0.00 179.97 176.82 2aqc n TRP 42 N -3.22 0.00 0.08 2.20 -0.00 -1.26 -4.35 117.44 110.89 2aqc n TRP 42 Ca -0.05 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.64 2aqc n TRP 42 Cb 0.17 -0.67 0.74 0.00 -0.00 0.00 0.00 31.31 31.55 2aqc n TRP 42 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2aqc h GLY 43 N 3.79 0.00 1.89 5.87 0.00 -1.99 0.12 103.07 112.75 2aqc h GLY 43 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2aqc h GLY 43 CO 0.01 0.00 -0.41 0.07 0.00 0.00 0.00 176.54 176.21 2aqc h LYS 44 N 0.00 0.12 -0.10 4.80 2.10 -1.75 -2.67 116.57 119.07 2aqc h LYS 44 Ca 0.19 -0.06 0.03 0.00 -2.00 0.00 0.00 60.65 58.82 2aqc h LYS 44 Cb 0.89 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2aqc h LYS 44 CO -0.00 0.52 0.12 -0.92 -2.00 0.00 0.00 179.45 177.16 2aqc h TYR 45 N 0.10 0.00 -0.79 0.07 5.03 -1.02 -1.40 116.97 118.96 2aqc h TYR 45 Ca 0.01 0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.53 2aqc h TYR 45 Cb 0.77 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 2aqc h TYR 45 CO 0.01 0.00 0.56 -0.09 -1.32 0.00 0.00 178.16 177.31 2aqc h ARG 46 N 0.00 0.09 -0.31 1.82 2.43 -1.57 0.27 114.38 117.10 2aqc h ARG 46 Ca 0.05 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2aqc h ARG 46 Cb 0.29 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2aqc h ARG 46 CO -0.00 0.06 0.21 0.00 -1.51 0.00 0.00 179.97 178.72 2aqc h ARG 47 N 0.09 0.40 0.00 0.20 3.08 -1.47 -2.02 114.38 114.66 2aqc h ARG 47 Ca 0.38 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.30 2aqc h ARG 47 Cb 1.39 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2aqc h ARG 47 CO -0.04 0.26 -1.42 -1.33 -1.07 0.00 0.00 179.97 176.37 2aqc n MET 48 N -4.49 0.62 0.00 0.04 2.81 0.84 -4.52 117.12 112.42 2aqc n MET 48 Ca 0.02 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2aqc n MET 48 Cb 0.07 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2aqc n MET 48 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2aqc n LEU 49 N -2.74 0.00 -4.60 4.03 7.94 -0.53 -4.30 117.00 116.79 2aqc n LEU 49 Ca -0.08 0.75 -0.43 0.00 -1.11 0.00 0.00 56.01 55.15 2aqc n LEU 49 Cb 0.74 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.41 2aqc n LEU 49 CO 0.42 -0.25 1.52 -0.54 -1.11 0.00 0.00 177.39 177.43 2aqc s LYS 50 N -2.01 3.39 0.25 1.96 1.02 -1.21 -4.96 119.74 118.18 2aqc s LYS 50 Ca 0.00 1.46 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 2aqc s LYS 50 Cb 0.00 -4.18 -0.09 0.00 -0.52 0.00 0.00 37.83 33.04 2aqc s LYS 50 CO 0.00 -1.79 1.18 0.50 -0.92 0.00 0.00 175.35 174.32 2aqc s ARG 51 N 5.55 4.53 -0.11 1.68 3.52 -1.26 -4.97 118.95 127.89 2aqc s ARG 51 Ca 0.79 1.91 -0.28 0.00 -0.13 0.00 0.00 55.73 58.03 2aqc s ARG 51 Cb -0.23 -3.19 -0.25 0.00 -1.56 0.00 0.00 34.95 29.73 2aqc s ARG 51 CO 0.34 0.02 0.88 0.00 -0.81 0.00 0.00 175.30 175.72 2aqc h ALA 52 N 4.31 -0.00 -2.80 6.12 0.00 -1.93 -3.45 119.26 121.51 2aqc h ALA 52 Ca -0.46 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.48 2aqc h ALA 52 Cb 1.21 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.05 2aqc h ALA 52 CO 0.70 -0.05 0.63 -1.17 0.00 0.00 0.00 179.25 179.36 2aqc s LEU 53 N -8.43 4.44 -0.04 0.00 2.96 -1.26 -4.94 118.68 111.41 2aqc s LEU 53 Ca -0.18 2.55 0.14 0.00 -0.22 0.00 0.00 54.13 56.42 2aqc s LEU 53 Cb -0.02 -3.63 -0.22 0.00 0.50 0.00 0.00 46.19 42.82 2aqc s LEU 53 CO 0.69 -0.49 0.62 1.17 -1.32 0.00 0.00 176.35 177.02 2aqc n LYS 54 N 1.49 0.64 -1.97 1.98 3.00 -1.26 -4.87 118.16 117.16 2aqc n LYS 54 Ca 0.02 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.15 2aqc n LYS 54 Cb 0.42 -1.76 -0.03 0.00 0.00 0.00 0.00 35.03 33.67 2aqc n LYS 54 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2aqc s ASN 55 N -5.93 6.65 -0.26 3.14 3.84 -1.26 -4.97 114.94 116.15 2aqc s ASN 55 Ca -0.05 2.28 -0.22 0.00 0.21 0.00 0.00 52.86 55.08 2aqc s ASN 55 Cb 0.08 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.23 2aqc s ASN 55 CO 0.82 -0.94 0.72 -0.54 -2.79 0.00 0.00 177.10 174.37 2aqc s LYS 56 N 4.04 4.12 -0.19 0.43 1.02 -1.26 -5.04 119.74 122.85 2aqc s LYS 56 Ca 0.75 0.69 -0.06 0.00 0.02 0.00 0.00 55.97 57.37 2aqc s LYS 56 Cb -0.34 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 2aqc s LYS 56 CO 0.31 -0.48 0.03 -0.80 -0.92 0.00 0.00 175.35 173.49 2aqc s ASN 57 N 1.44 5.18 -1.44 2.83 0.02 -1.26 -4.49 114.94 117.22 2aqc s ASN 57 Ca 0.30 -0.09 -0.10 0.00 -1.02 0.00 0.00 52.86 51.96 2aqc s ASN 57 Cb -0.15 -1.89 0.06 0.00 0.02 0.00 0.00 41.25 39.29 2aqc s ASN 57 CO 0.08 0.10 0.70 0.29 0.02 0.00 0.00 177.10 178.29 2aqc n LYS 58 N 3.99 -4.60 -3.32 -0.60 4.76 -1.26 -4.94 118.16 112.19 2aqc n LYS 58 Ca -0.17 0.64 -0.38 0.00 -2.87 0.00 0.00 58.31 55.53 2aqc n LYS 58 Cb 0.52 -5.46 -0.06 0.00 -1.84 0.00 0.00 35.03 28.19 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 -3.12 3.59 -0.89 7.82 0.00 -1.26 -5.35 121.76 122.55 2aqc s ALA 59 Ca 0.46 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2aqc s ALA 59 Cb -0.23 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.35 2aqc s ALA 59 CO 0.57 0.35 0.73 0.39 0.00 0.00 0.00 175.76 177.79