#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 6.60 -0.09 1.61 0.01 -1.26 -4.95 113.70 115.62 2aqc s SER -1 Ca 0.00 2.63 -0.06 0.00 1.31 0.00 0.00 55.95 59.83 2aqc s SER -1 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2aqc s SER -1 CO 0.00 -0.80 -0.13 1.41 0.41 0.00 0.00 173.24 174.14 2aqc n HIS 0 N 3.58 0.53 -1.66 2.43 -0.00 -1.26 -4.84 115.22 114.00 2aqc n HIS 0 Ca 0.12 0.23 -0.43 0.00 -0.00 0.00 0.00 57.72 57.65 2aqc n HIS 0 Cb 0.39 -0.56 -0.03 0.00 -0.00 0.00 0.00 29.99 29.79 2aqc n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2aqc s MET 1 N -1.84 3.29 0.24 -0.41 -2.45 -1.26 -4.95 119.30 111.93 2aqc s MET 1 Ca -0.10 2.04 0.01 0.00 -1.25 0.00 0.00 55.69 56.39 2aqc s MET 1 Cb 0.01 -4.32 -0.05 0.00 1.25 0.00 0.00 34.83 31.72 2aqc s MET 1 CO 0.15 -1.92 0.08 0.14 1.05 0.00 0.00 175.02 174.52 2aqc s VAL 2 N 7.62 0.57 0.05 10.11 -7.23 -1.26 -5.17 120.40 125.08 2aqc s VAL 2 Ca 0.96 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2aqc s VAL 2 Cb -0.33 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 2aqc s VAL 2 CO 0.36 -0.10 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.34 2aqc s GLU 3 N -4.01 0.64 0.15 4.82 8.01 -1.26 -5.15 118.70 121.89 2aqc s GLU 3 Ca 0.35 -0.77 -0.24 0.00 0.01 0.00 0.00 54.97 54.32 2aqc s GLU 3 Cb 0.07 -0.51 0.06 0.00 -4.31 0.00 0.00 34.13 29.45 2aqc s GLU 3 CO 0.12 0.11 0.80 1.41 0.01 0.00 0.00 175.26 177.71 2aqc s MET 4 N -1.47 1.26 0.01 1.61 1.75 -1.26 -5.01 119.30 116.18 2aqc s MET 4 Ca -0.06 -0.61 0.17 0.00 -1.25 0.00 0.00 55.69 53.95 2aqc s MET 4 Cb -0.09 0.49 0.72 0.00 2.84 0.00 0.00 34.83 38.79 2aqc s MET 4 CO 0.01 -0.57 1.54 2.89 -0.65 0.00 0.00 175.02 178.24 2aqc n ARG 5 N -0.39 0.01 -0.15 4.11 -4.01 -1.26 -4.77 116.66 110.20 2aqc n ARG 5 Ca -0.09 0.22 -0.04 0.00 -1.04 0.00 0.00 57.85 56.90 2aqc n ARG 5 Cb 0.62 -1.51 0.03 0.00 -3.04 0.00 0.00 32.46 28.56 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 -1.52 -1.21 -4.42 2.89 0.00 -1.26 -5.08 117.12 106.52 2aqc n MET 6 Ca 0.04 -0.24 -0.23 0.00 0.00 0.00 0.00 57.70 57.28 2aqc n MET 6 Cb 0.20 -0.21 -0.08 0.00 0.00 0.00 0.00 33.22 33.12 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 -3.33 1.85 -0.01 3.17 -2.85 -0.47 -4.75 119.74 113.35 2aqc s LYS 7 Ca 0.09 -2.11 -0.06 0.00 -1.00 0.00 0.00 55.97 52.89 2aqc s LYS 7 Cb -0.01 -0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.55 2aqc s LYS 7 CO 0.07 -0.55 0.13 0.21 0.10 0.00 0.00 175.35 175.31 2aqc s LYS 8 N -3.61 0.42 -0.21 1.78 2.20 0.75 -1.25 119.74 119.82 2aqc s LYS 8 Ca 0.31 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 2aqc s LYS 8 Cb 0.02 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2aqc s LYS 8 CO 0.20 -0.09 1.44 0.00 -0.36 0.00 0.00 175.35 176.53 2aqc n PRO 10 N 7.24 0.21 -0.09 0.00 -0.04 -1.26 0.11 135.00 141.17 2aqc n PRO 10 Ca 0.16 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.55 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 -1.29 0.65 -0.04 0.54 4.01 -1.26 -4.82 118.16 115.95 2aqc n LYS 11 Ca 0.07 0.27 -0.08 0.00 -0.51 0.00 0.00 58.31 58.05 2aqc n LYS 11 Cb 0.12 -1.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.01 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 2.24 1.84 3.74 0.00 0.00 0.12 -5.00 105.19 108.13 2aqc n GLY 13 Ca -0.15 0.00 -0.39 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 4.35 0.23 0.99 2.96 -1.26 -4.71 118.68 121.24 2aqc s LEU 14 Ca 0.00 1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.73 2aqc s LEU 14 Cb 0.00 -2.84 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 2aqc s LEU 14 CO 0.00 0.04 0.75 -0.31 -1.32 0.00 0.00 176.35 175.51 2aqc s TYR 15 N 0.24 3.65 -0.00 5.38 2.02 -1.26 -1.24 117.35 126.14 2aqc s TYR 15 Ca 0.30 1.43 -0.29 0.00 -0.37 0.00 0.00 57.07 58.14 2aqc s TYR 15 Cb -0.17 -2.65 0.11 0.00 -0.40 0.00 0.00 41.96 38.85 2aqc s TYR 15 CO 0.14 0.32 1.27 -0.08 -1.57 0.00 0.00 175.55 175.63 2aqc s THR 16 N -1.54 0.00 0.00 -0.71 -1.32 -0.38 -4.99 115.64 106.71 2aqc s THR 16 Ca 0.44 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2aqc s THR 16 Cb -0.17 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2aqc s THR 16 CO 0.21 0.00 0.88 0.18 -2.21 0.00 0.00 174.62 173.68 2aqc n LEU 17 N -0.62 1.56 -0.32 9.08 4.77 -1.26 -1.37 117.00 128.84 2aqc n LEU 17 Ca -0.05 -1.56 0.15 0.00 -0.03 0.00 0.00 56.01 54.52 2aqc n LEU 17 Cb 0.61 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.36 2aqc n LEU 17 CO 0.13 0.39 0.94 0.29 -1.33 0.00 0.00 177.39 177.82 2aqc n LYS 18 N -0.38 1.41 -1.06 3.23 5.02 -1.26 -4.89 118.16 120.24 2aqc n LYS 18 Ca 0.00 -0.63 -0.02 0.00 -2.02 0.00 0.00 58.31 55.64 2aqc n LYS 18 Cb 0.29 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.24 -1.68 -3.85 1.97 1.02 -1.26 -4.93 120.64 111.68 2aqc n GLU 19 Ca 0.20 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 2aqc n GLU 19 Cb 0.28 -4.80 -0.11 0.00 -0.02 0.00 0.00 31.44 26.79 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 -1.30 0.04 -0.43 -3.67 -1.09 -1.26 -1.53 121.20 111.96 2aqc s ILE 20 Ca 0.00 -0.31 -0.22 0.00 -2.23 0.00 0.00 60.65 57.89 2aqc s ILE 20 Cb 0.00 -0.31 0.02 0.00 -1.58 0.00 0.00 42.46 40.59 2aqc s ILE 20 CO 0.00 -0.17 0.72 0.00 -1.23 0.00 0.00 174.94 174.26 2aqc n PRO 22 N 6.46 0.14 -0.05 0.00 -0.04 -1.26 0.57 135.00 140.83 2aqc n PRO 22 Ca 0.01 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.64 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 3.64 -1.96 -3.42 116.57 115.36 2aqc h LYS 23 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 2aqc h LYS 23 Cb 0.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 2aqc h LYS 23 CO 0.00 0.00 -2.42 0.00 -2.27 0.00 0.00 179.45 174.76 2aqc n GLY 25 N 2.07 1.94 3.54 0.00 0.00 0.19 -5.06 105.19 107.88 2aqc n GLY 25 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2aqc n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aqc s GLU 26 N -0.62 2.84 0.36 1.61 2.56 -1.23 -4.77 118.70 119.46 2aqc s GLU 26 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 54.97 54.13 2aqc s GLU 26 Cb 0.00 -2.59 -0.12 0.00 2.00 0.00 0.00 34.13 33.42 2aqc s GLU 26 CO 0.00 0.58 0.96 1.63 -0.56 0.00 0.00 175.26 177.88 2aqc n LYS 27 N 2.46 1.28 -3.16 4.30 5.02 -1.26 -0.41 118.16 126.38 2aqc n LYS 27 Ca -0.18 0.45 -0.26 0.00 -2.02 0.00 0.00 58.31 56.31 2aqc n LYS 27 Cb 0.53 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2aqc s THR 28 N -1.21 5.03 0.08 -0.18 -4.23 -0.58 -4.60 115.64 109.95 2aqc s THR 28 Ca 0.61 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2aqc s THR 28 Cb -0.62 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.35 2aqc s THR 28 CO 0.58 -0.58 -0.09 0.68 -0.54 0.00 0.00 174.62 174.67 2aqc s VAL 29 N -2.38 0.76 -0.20 2.29 -7.23 0.85 -4.83 120.40 109.66 2aqc s VAL 29 Ca 0.43 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 2aqc s VAL 29 Cb -0.10 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 2aqc s VAL 29 CO 0.37 -0.59 1.93 -0.63 -0.31 0.00 0.00 175.10 175.87 2aqc s ILE 30 N -2.43 3.29 -1.14 -0.62 -1.09 -1.26 -0.18 121.20 117.77 2aqc s ILE 30 Ca 0.02 0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.53 2aqc s ILE 30 Cb -0.03 -3.33 -0.08 0.00 -1.58 0.00 0.00 42.46 37.44 2aqc s ILE 30 CO -0.01 -0.16 1.94 -2.16 -1.23 0.00 0.00 174.94 173.31 2aqc s PRO 31 N 5.44 2.51 0.87 2.79 0.04 -1.26 -4.91 135.00 140.48 2aqc s PRO 31 Ca 0.86 -1.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.78 2aqc s PRO 31 Cb -0.30 -5.21 0.12 0.00 0.04 0.00 0.00 34.50 29.14 2aqc s PRO 31 CO 0.34 -3.88 1.12 0.15 0.04 0.00 0.00 177.00 174.77 2aqc s LYS 32 N 6.56 1.39 0.96 4.56 1.02 -1.26 -5.01 119.74 127.95 2aqc s LYS 32 Ca 0.69 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.90 2aqc s LYS 32 Cb -0.02 -1.78 0.17 0.00 -0.52 0.00 0.00 37.83 35.67 2aqc s LYS 32 CO 0.11 -2.31 1.09 -1.25 -0.92 0.00 0.00 175.35 172.07 2aqc s PRO 33 N -4.75 0.74 0.08 -1.68 0.04 -1.26 -5.06 135.00 123.12 2aqc s PRO 33 Ca 0.65 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 2aqc s PRO 33 Cb -0.21 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2aqc s PRO 33 CO 0.57 -2.55 0.07 -0.35 0.04 0.00 0.00 177.00 174.79 2aqc n PRO 34 N -4.06 -1.16 -1.26 0.56 -0.04 -1.26 -4.97 135.00 122.80 2aqc n PRO 34 Ca 0.06 -0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.05 2aqc n PRO 34 Cb 0.56 -0.11 0.09 0.00 -0.04 0.00 0.00 33.50 34.01 2aqc n PRO 34 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2aqc n LYS 35 N -1.73 0.37 -0.69 0.54 3.00 -1.26 -4.93 118.16 113.45 2aqc n LYS 35 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2aqc n LYS 35 Cb 0.04 -2.15 0.20 0.00 0.00 0.00 0.00 35.03 33.12 2aqc n LYS 35 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2aqc n PHE 36 N -2.66 0.69 -3.81 5.64 -1.74 -1.26 -4.65 117.46 109.66 2aqc n PHE 36 Ca 0.12 -1.51 -0.10 0.00 -0.56 0.00 0.00 57.45 55.40 2aqc n PHE 36 Cb 0.50 -0.39 -0.00 0.00 1.52 0.00 0.00 39.48 41.10 2aqc n PHE 36 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2aqc n SER 37 N -1.11 -1.43 -2.77 5.98 7.64 -1.26 -4.86 113.62 115.81 2aqc n SER 37 Ca 0.27 -2.42 -0.19 0.00 1.01 0.00 0.00 58.87 57.55 2aqc n SER 37 Cb 0.90 2.50 0.05 0.00 -1.01 0.00 0.00 64.21 66.65 2aqc n SER 37 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2aqc n LEU 38 N 0.00 -2.81 -1.93 -3.43 7.94 -1.26 -1.90 117.00 113.60 2aqc n LEU 38 Ca -0.03 -0.34 -0.18 0.00 -1.11 0.00 0.00 56.01 54.35 2aqc n LEU 38 Cb 0.47 -2.57 -0.02 0.00 0.53 0.00 0.00 43.42 41.84 2aqc n LEU 38 CO 0.23 0.36 -0.22 1.21 -1.11 0.00 0.00 177.39 177.86 2aqc n GLU 39 N -3.82 -1.41 -0.66 1.96 4.07 -1.26 -4.96 120.64 114.56 2aqc n GLU 39 Ca -0.04 0.93 -0.32 0.00 -0.06 0.00 0.00 57.16 57.66 2aqc n GLU 39 Cb 0.58 -5.39 0.18 0.00 -0.06 0.00 0.00 31.44 26.74 2aqc n GLU 39 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2aqc n ASP 40 N -1.35 -2.38 -0.18 4.31 5.75 -0.80 -4.65 116.55 117.24 2aqc n ASP 40 Ca -0.21 -0.15 0.12 0.00 -0.01 0.00 0.00 54.79 54.55 2aqc n ASP 40 Cb 0.65 -0.95 0.44 0.00 -1.03 0.00 0.00 41.12 40.23 2aqc n ASP 40 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2aqc h ARG 41 N -2.11 0.54 -0.66 0.11 3.08 -1.90 0.23 114.38 113.68 2aqc h ARG 41 Ca -0.54 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 2aqc h ARG 41 Cb 1.35 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2aqc h ARG 41 CO 0.38 0.36 0.01 0.91 -1.07 0.00 0.00 179.97 180.56 2aqc n TRP 42 N -4.50 1.72 0.20 3.04 7.02 -1.26 -4.41 117.44 119.24 2aqc n TRP 42 Ca 0.14 -0.61 0.06 0.00 -1.02 0.00 0.00 57.50 56.08 2aqc n TRP 42 Cb 0.43 -0.45 0.56 0.00 -2.42 0.00 0.00 31.31 29.43 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 4.18 0.12 1.61 6.99 0.00 -0.79 -2.09 103.07 113.08 2aqc h GLY 43 Ca 0.01 -0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 2aqc h GLY 43 CO 0.41 0.05 -1.18 0.50 0.00 0.00 0.00 176.54 176.32 2aqc h LYS 44 N 0.11 0.00 0.00 4.80 1.57 -1.79 -3.28 116.57 117.98 2aqc h LYS 44 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2aqc h LYS 44 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2aqc h LYS 44 CO 0.00 0.71 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.68 2aqc h TYR 45 N 0.00 0.00 0.10 -1.35 3.20 -1.67 -2.95 116.97 114.30 2aqc h TYR 45 Ca -0.10 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 2aqc h TYR 45 Cb 1.77 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2aqc h TYR 45 CO 0.00 0.00 -0.12 0.00 -1.64 0.00 0.00 178.16 176.40 2aqc h ARG 46 N 0.00 -0.21 -0.03 1.82 2.47 -1.60 -1.07 114.38 115.75 2aqc h ARG 46 Ca -0.00 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2aqc h ARG 46 Cb 0.00 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2aqc h ARG 46 CO 0.00 -0.14 0.07 0.00 0.56 0.00 0.00 179.97 180.46 2aqc h ARG 47 N -0.22 0.00 -0.85 0.04 2.47 -1.77 0.58 114.38 114.64 2aqc h ARG 47 Ca -0.01 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 2aqc h ARG 47 Cb 0.19 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.38 2aqc h ARG 47 CO -0.02 0.00 0.28 -1.33 0.56 0.00 0.00 179.97 179.46 2aqc n MET 48 N -3.48 2.97 -0.03 0.04 2.81 -0.77 -4.00 117.12 114.66 2aqc n MET 48 Ca -0.02 -2.44 -0.01 0.00 -1.81 0.00 0.00 57.70 53.42 2aqc n MET 48 Cb 0.15 -2.02 -0.08 0.00 -0.71 0.00 0.00 33.22 30.56 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 -0.20 0.00 -3.57 4.03 0.00 0.19 -4.95 117.00 112.50 2aqc n LEU 49 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.29 2aqc n LEU 49 Cb 1.24 0.16 -0.02 0.00 0.00 0.00 0.00 43.42 44.80 2aqc n LEU 49 CO 0.38 0.16 0.62 -1.59 0.00 0.00 0.00 177.39 176.96 2aqc s LYS 50 N -2.46 1.06 0.34 1.96 0.00 -1.26 -5.12 119.74 114.27 2aqc s LYS 50 Ca -0.05 -0.47 0.10 0.00 0.00 0.00 0.00 55.97 55.55 2aqc s LYS 50 Cb 0.05 0.44 -0.06 0.00 0.00 0.00 0.00 37.83 38.26 2aqc s LYS 50 CO 0.44 -0.47 -0.08 -0.98 0.00 0.00 0.00 175.35 174.26 2aqc s ARG 51 N -3.34 1.87 0.21 1.78 1.70 -1.26 -4.87 118.95 115.05 2aqc s ARG 51 Ca 0.06 -1.87 0.17 0.00 -0.47 0.00 0.00 55.73 53.62 2aqc s ARG 51 Cb -0.01 -1.77 0.01 0.00 -0.57 0.00 0.00 34.95 32.61 2aqc s ARG 51 CO -0.06 0.16 1.22 0.00 -1.08 0.00 0.00 175.30 175.54 2aqc h ALA 52 N 2.00 0.67 -1.96 7.88 0.00 -2.03 -3.46 119.26 122.36 2aqc h ALA 52 Ca -0.42 -0.51 -0.64 0.00 0.00 0.00 0.00 54.91 53.34 2aqc h ALA 52 Cb 1.25 0.05 0.05 0.00 0.00 0.00 0.00 17.79 19.14 2aqc h ALA 52 CO 0.68 0.62 0.68 -0.11 0.00 0.00 0.00 179.25 181.13 2aqc n LEU 53 N -3.06 2.47 -4.73 0.00 7.94 -1.26 -4.95 117.00 113.41 2aqc n LEU 53 Ca -0.02 1.09 -0.36 0.00 -1.11 0.00 0.00 56.01 55.61 2aqc n LEU 53 Cb 0.74 -1.31 -0.08 0.00 0.53 0.00 0.00 43.42 43.31 2aqc n LEU 53 CO 0.41 -0.60 -0.09 -0.75 -1.11 0.00 0.00 177.39 175.25 2aqc s LYS 54 N 1.12 4.23 0.12 1.96 2.36 -1.26 -5.09 119.74 123.18 2aqc s LYS 54 Ca 0.83 -0.05 0.09 0.00 -2.55 0.00 0.00 55.97 54.29 2aqc s LYS 54 Cb -0.82 -3.43 -0.04 0.00 -1.05 0.00 0.00 37.83 32.50 2aqc s LYS 54 CO 0.44 0.26 -0.23 -0.80 1.55 0.00 0.00 175.35 176.57 2aqc s ASN 55 N 0.43 2.89 0.21 1.43 0.02 -1.26 -5.11 114.94 113.54 2aqc s ASN 55 Ca 0.12 -0.72 -0.30 0.00 -1.02 0.00 0.00 52.86 50.94 2aqc s ASN 55 Cb -0.12 -0.18 -0.09 0.00 0.02 0.00 0.00 41.25 40.88 2aqc s ASN 55 CO 0.01 0.11 1.43 -0.75 0.02 0.00 0.00 177.10 177.91 2aqc s LYS 56 N -2.02 4.29 -0.03 -0.60 2.20 -1.26 -4.91 119.74 117.41 2aqc s LYS 56 Ca 0.10 2.23 0.05 0.00 -0.36 0.00 0.00 55.97 57.99 2aqc s LYS 56 Cb -0.10 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2aqc s LYS 56 CO 0.05 -0.42 0.06 0.27 -0.36 0.00 0.00 175.35 174.96 2aqc n ASN 57 N 2.89 3.71 -3.35 1.43 6.94 -1.26 -5.03 115.26 120.59 2aqc n ASN 57 Ca 0.08 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.45 2aqc n ASN 57 Cb 0.41 0.89 0.08 0.00 -2.36 0.00 0.00 39.78 38.80 2aqc n ASN 57 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2aqc n LYS 58 N -1.99 -6.86 -1.26 -3.83 4.81 -1.26 -4.98 118.16 102.80 2aqc n LYS 58 Ca -0.05 0.79 -0.31 0.00 -0.87 0.00 0.00 58.31 57.87 2aqc n LYS 58 Cb 0.45 -5.68 0.10 0.00 0.02 0.00 0.00 35.03 29.93 2aqc n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2aqc s ALA 59 N -3.32 2.10 -2.00 3.14 0.00 -1.26 -5.36 121.76 115.06 2aqc s ALA 59 Ca 0.27 0.18 0.32 0.00 0.00 0.00 0.00 51.96 52.73 2aqc s ALA 59 Cb -0.12 -3.25 1.89 0.00 0.00 0.00 0.00 23.12 21.64 2aqc s ALA 59 CO 0.69 -1.89 2.21 0.39 0.00 0.00 0.00 175.76 177.15