#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 4.82 -1.77 1.61 1.04 -1.26 -4.47 113.70 113.66 2aqc s SER -1 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2aqc s SER -1 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2aqc s SER -1 CO 0.00 0.15 0.00 1.41 0.98 0.00 0.00 173.24 175.78 2aqc n HIS 0 N 3.68 -0.76 -3.46 5.02 -0.00 -1.26 -4.93 115.22 113.52 2aqc n HIS 0 Ca -0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.12 2aqc n HIS 0 Cb 0.52 -3.58 -0.07 0.00 -0.00 0.00 0.00 29.99 26.86 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 -4.57 2.73 -1.16 -0.41 1.75 -1.26 -4.29 119.30 112.08 2aqc s MET 1 Ca 0.00 -1.64 -0.15 0.00 -1.25 0.00 0.00 55.69 52.64 2aqc s MET 1 Cb 0.00 -4.05 -0.02 0.00 2.84 0.00 0.00 34.83 33.60 2aqc s MET 1 CO 0.00 -1.18 0.78 0.28 -0.65 0.00 0.00 175.02 174.25 2aqc n VAL 2 N 5.06 -6.02 -0.05 10.11 0.31 -1.26 -4.91 118.33 121.56 2aqc n VAL 2 Ca -0.11 -0.95 -0.09 0.00 -0.01 0.00 0.00 64.34 63.19 2aqc n VAL 2 Cb 0.41 -4.50 -0.15 0.00 -0.91 0.00 0.00 33.84 28.70 2aqc n VAL 2 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2aqc n GLU 3 N -4.07 0.65 -3.72 5.55 4.07 -1.26 -4.90 120.64 116.96 2aqc n GLU 3 Ca -0.12 0.18 -0.16 0.00 -0.06 0.00 0.00 57.16 56.99 2aqc n GLU 3 Cb 0.61 -1.69 -0.16 0.00 -0.06 0.00 0.00 31.44 30.14 2aqc n GLU 3 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 2aqc s MET 4 N -2.57 -0.02 0.60 5.31 -1.94 -1.26 -5.01 119.30 114.41 2aqc s MET 4 Ca -0.07 0.33 0.40 0.00 -1.71 0.00 0.00 55.69 54.64 2aqc s MET 4 Cb 0.07 -0.32 2.12 0.00 2.01 0.00 0.00 34.83 38.71 2aqc s MET 4 CO 0.83 -0.24 2.22 0.07 -0.01 0.00 0.00 175.02 177.90 2aqc h ARG 5 N 7.77 0.00 -6.71 2.03 0.11 -2.01 -3.44 114.38 112.14 2aqc h ARG 5 Ca -0.31 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.23 2aqc h ARG 5 Cb 1.12 0.00 0.21 0.00 1.11 0.00 0.00 29.97 32.41 2aqc h ARG 5 CO 0.33 0.00 -0.58 -0.12 0.10 0.00 0.00 179.97 179.70 2aqc n MET 6 N -2.96 -0.09 -4.48 0.08 1.56 -1.26 -4.99 117.12 104.98 2aqc n MET 6 Ca -0.02 0.02 -0.25 0.00 -0.27 0.00 0.00 57.70 57.18 2aqc n MET 6 Cb 0.10 -1.81 -0.08 0.00 2.15 0.00 0.00 33.22 33.58 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 -3.28 1.90 -0.00 2.12 -2.85 -0.53 -4.74 119.74 112.36 2aqc s LYS 7 Ca 0.59 -2.15 -0.06 0.00 -1.00 0.00 0.00 55.97 53.35 2aqc s LYS 7 Cb -0.25 -0.46 -0.00 0.00 -2.06 0.00 0.00 37.83 35.06 2aqc s LYS 7 CO 0.65 -0.51 0.11 0.21 0.10 0.00 0.00 175.35 175.91 2aqc s LYS 8 N -3.67 0.41 -0.20 1.78 2.20 0.34 -1.19 119.74 119.41 2aqc s LYS 8 Ca 0.26 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 2aqc s LYS 8 Cb 0.02 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2aqc s LYS 8 CO 0.16 -0.09 1.45 0.00 -0.36 0.00 0.00 175.35 176.51 2aqc n PRO 10 N 7.21 0.20 -0.08 0.00 -0.04 -1.26 0.23 135.00 141.25 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 -1.29 0.67 -0.03 0.54 4.01 -1.26 -4.82 118.16 115.98 2aqc n LYS 11 Ca 0.07 0.23 -0.07 0.00 -0.51 0.00 0.00 58.31 58.04 2aqc n LYS 11 Cb 0.12 -1.60 -0.02 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 2.51 1.91 3.74 0.00 0.00 0.13 -5.00 105.19 108.48 2aqc n GLY 13 Ca -0.11 0.00 -0.37 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 4.28 0.33 0.99 2.96 -1.26 -4.72 118.68 121.27 2aqc s LEU 14 Ca 0.00 0.69 -0.23 0.00 -0.22 0.00 0.00 54.13 54.37 2aqc s LEU 14 Cb 0.00 -2.53 -0.10 0.00 0.50 0.00 0.00 46.19 44.06 2aqc s LEU 14 CO 0.00 0.09 0.89 -0.31 -1.32 0.00 0.00 176.35 175.69 2aqc s TYR 15 N 0.35 3.57 0.01 5.38 1.51 -1.26 -1.29 117.35 125.61 2aqc s TYR 15 Ca 0.21 1.62 -0.28 0.00 -1.01 0.00 0.00 57.07 57.61 2aqc s TYR 15 Cb -0.14 -2.82 0.10 0.00 -0.11 0.00 0.00 41.96 38.99 2aqc s TYR 15 CO 0.08 0.15 1.26 -0.08 -1.11 0.00 0.00 175.55 175.84 2aqc s THR 16 N -1.76 0.00 0.00 -0.71 -1.32 -0.33 -4.98 115.64 106.54 2aqc s THR 16 Ca 0.52 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2aqc s THR 16 Cb -0.15 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 2aqc s THR 16 CO 0.20 0.00 0.50 0.18 -2.21 0.00 0.00 174.62 173.29 2aqc n LEU 17 N -0.74 0.87 -0.12 9.08 4.77 -1.26 -1.45 117.00 128.14 2aqc n LEU 17 Ca -0.01 -0.87 0.15 0.00 -0.03 0.00 0.00 56.01 55.24 2aqc n LEU 17 Cb 0.60 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.49 2aqc n LEU 17 CO 0.15 0.22 1.02 0.29 -1.33 0.00 0.00 177.39 177.74 2aqc n LYS 18 N -0.11 1.17 -1.09 3.23 5.02 -1.26 -4.87 118.16 120.24 2aqc n LYS 18 Ca 0.00 -0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.01 2aqc n LYS 18 Cb 0.18 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.68 -1.71 -3.84 1.97 1.02 -1.26 -4.92 120.64 111.21 2aqc n GLU 19 Ca 0.22 0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2aqc n GLU 19 Cb 0.17 -4.91 -0.11 0.00 -0.02 0.00 0.00 31.44 26.57 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 -1.38 0.04 -0.42 -3.67 -1.09 -1.26 -1.49 121.20 111.92 2aqc s ILE 20 Ca 0.00 -0.30 -0.23 0.00 -2.23 0.00 0.00 60.65 57.90 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 -0.16 0.76 0.00 -1.23 0.00 0.00 174.94 174.31 2aqc n PRO 22 N 6.55 0.16 -0.05 0.00 -0.04 -1.26 0.56 135.00 140.93 2aqc n PRO 22 Ca 0.02 0.17 -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 -3.43 116.57 115.36 2aqc h LYS 23 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 2aqc h LYS 23 Cb 0.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 2aqc h LYS 23 CO 0.00 0.00 -2.31 0.00 -2.27 0.00 0.00 179.45 174.87 2aqc n GLY 25 N 2.18 1.85 3.60 0.00 0.00 0.19 -5.06 105.19 107.95 2aqc n GLY 25 Ca -0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.47 3.26 0.30 1.61 2.56 -1.23 -4.75 118.70 119.98 2aqc s GLU 26 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 54.97 54.23 2aqc s GLU 26 Cb 0.00 -2.83 -0.14 0.00 2.00 0.00 0.00 34.13 33.16 2aqc s GLU 26 CO 0.00 0.50 1.03 0.36 -0.56 0.00 0.00 175.26 176.59 2aqc n LYS 27 N 2.75 1.42 -2.94 4.30 0.00 -1.26 -0.56 118.16 121.86 2aqc n LYS 27 Ca -0.18 0.50 -0.27 0.00 -0.00 0.00 0.00 58.31 58.36 2aqc n LYS 27 Cb 0.53 -1.89 -0.01 0.00 -0.00 0.00 0.00 35.03 33.66 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2aqc s THR 28 N -1.07 4.95 0.06 0.58 -4.23 -0.56 -4.57 115.64 110.81 2aqc s THR 28 Ca 0.58 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 2aqc s THR 28 Cb -0.69 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.30 2aqc s THR 28 CO 0.60 -0.65 -0.08 0.68 -0.54 0.00 0.00 174.62 174.63 2aqc s VAL 29 N -2.49 0.62 -0.19 2.29 -7.23 0.81 -4.83 120.40 109.38 2aqc s VAL 29 Ca 0.46 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2aqc s VAL 29 Cb -0.10 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 2aqc s VAL 29 CO 0.39 -0.56 2.01 -0.63 -0.31 0.00 0.00 175.10 176.00 2aqc s ILE 30 N -2.19 3.20 0.07 -0.62 -1.09 -1.26 -0.50 121.20 118.80 2aqc s ILE 30 Ca -0.02 0.21 0.33 0.00 -2.23 0.00 0.00 60.65 58.94 2aqc s ILE 30 Cb -0.04 -3.23 0.38 0.00 -1.58 0.00 0.00 42.46 37.99 2aqc s ILE 30 CO -0.01 -0.12 1.97 1.55 -1.23 0.00 0.00 174.94 177.10 2aqc h PRO 31 N 13.25 0.00 -7.26 2.79 0.13 -1.85 -3.45 132.00 135.60 2aqc h PRO 31 Ca -0.40 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.21 2aqc h PRO 31 Cb 1.21 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.54 2aqc h PRO 31 CO 0.98 0.00 0.21 0.15 -0.23 0.00 0.00 178.00 179.10 2aqc s LYS 32 N -3.65 0.86 0.96 0.86 3.01 -1.26 -5.00 119.74 115.52 2aqc s LYS 32 Ca 0.01 1.52 -0.12 0.00 -1.01 0.00 0.00 55.97 56.37 2aqc s LYS 32 Cb 0.09 -1.71 0.17 0.00 -1.01 0.00 0.00 37.83 35.37 2aqc s LYS 32 CO 0.52 -2.73 1.09 -1.25 0.51 0.00 0.00 175.35 173.49 2aqc s PRO 33 N -4.63 0.73 1.17 -1.68 0.04 -1.26 -5.05 135.00 124.32 2aqc s PRO 33 Ca 0.67 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 2aqc s PRO 33 Cb -0.23 -1.76 0.27 0.00 0.04 0.00 0.00 34.50 32.82 2aqc s PRO 33 CO 0.58 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.93 2aqc s PRO 34 N -4.95 -0.95 0.41 0.56 0.04 -1.26 -4.86 135.00 123.99 2aqc s PRO 34 Ca 0.65 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.79 2aqc s PRO 34 Cb -0.18 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2aqc s PRO 34 CO 0.57 -3.55 0.46 0.15 0.04 0.00 0.00 177.00 174.67 2aqc s LYS 35 N -5.33 2.70 -0.51 4.56 1.02 -1.26 -5.03 119.74 115.87 2aqc s LYS 35 Ca 0.70 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 2aqc s LYS 35 Cb -0.11 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2aqc s LYS 35 CO 0.56 -0.19 1.76 -0.06 -0.92 0.00 0.00 175.35 176.50 2aqc s PHE 36 N -2.40 1.82 -0.06 3.18 0.08 -1.26 -4.97 117.98 114.38 2aqc s PHE 36 Ca 0.50 0.69 0.06 0.00 0.12 0.00 0.00 56.93 58.31 2aqc s PHE 36 Cb -0.06 -4.15 -0.01 0.00 -0.57 0.00 0.00 43.02 38.22 2aqc s PHE 36 CO 0.30 -2.43 -0.25 0.45 -0.10 0.00 0.00 175.22 173.19 2aqc s SER 37 N 6.82 3.07 0.17 1.36 0.15 -1.26 -5.01 113.70 119.00 2aqc s SER 37 Ca 0.68 -0.51 0.12 0.00 0.70 0.00 0.00 55.95 56.94 2aqc s SER 37 Cb -0.15 -0.87 -0.09 0.00 -1.71 0.00 0.00 66.02 63.20 2aqc s SER 37 CO 0.26 0.24 1.26 0.25 1.20 0.00 0.00 173.24 176.45 2aqc h LEU 38 N 6.09 0.00 -1.78 3.45 5.85 -2.01 -3.26 115.31 123.65 2aqc h LEU 38 Ca -0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2aqc h LEU 38 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2aqc h LEU 38 CO 0.47 0.75 0.03 -0.33 -0.34 0.00 0.00 178.44 179.02 2aqc h GLU 39 N 0.00 0.16 -6.09 1.25 3.07 -2.01 -3.42 114.58 107.54 2aqc h GLU 39 Ca -0.04 -0.02 -0.64 0.00 -0.50 0.00 0.00 59.36 58.17 2aqc h GLU 39 Cb 1.61 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.48 2aqc h GLU 39 CO 0.09 0.16 1.31 -0.25 -1.40 0.00 0.00 179.01 178.92 2aqc n ASP 40 N -4.47 2.86 -0.21 1.42 9.92 -1.23 -4.84 116.55 120.00 2aqc n ASP 40 Ca -0.01 0.58 -0.07 0.00 -0.53 0.00 0.00 54.79 54.76 2aqc n ASP 40 Cb 0.12 -1.37 0.03 0.00 -0.64 0.00 0.00 41.12 39.27 2aqc n ASP 40 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2aqc h ARG 41 N 11.78 0.85 -0.49 -1.24 3.08 -1.92 -2.59 114.38 123.86 2aqc h ARG 41 Ca -0.38 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2aqc h ARG 41 Cb 1.29 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2aqc h ARG 41 CO 0.98 0.67 0.01 0.91 -1.07 0.00 0.00 179.97 181.47 2aqc n TRP 42 N -4.54 1.76 0.14 3.04 7.02 -1.26 -4.53 117.44 119.07 2aqc n TRP 42 Ca 0.04 -0.79 0.05 0.00 -1.02 0.00 0.00 57.50 55.78 2aqc n TRP 42 Cb 0.11 -0.46 0.48 0.00 -2.42 0.00 0.00 31.31 29.02 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 3.31 0.24 1.21 6.99 0.00 -1.79 -2.56 103.07 110.47 2aqc h GLY 43 Ca 0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 47.33 46.95 2aqc h GLY 43 CO 0.42 0.11 -1.55 0.50 0.00 0.00 0.00 176.54 176.02 2aqc h LYS 44 N 0.23 0.01 -0.65 4.80 1.57 -1.79 -3.33 116.57 117.40 2aqc h LYS 44 Ca 0.06 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.00 2aqc h LYS 44 Cb 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2aqc h LYS 44 CO 0.00 0.64 0.50 -0.92 -0.57 0.00 0.00 179.45 179.10 2aqc h TYR 45 N 0.00 0.00 -0.86 -1.35 5.03 -1.75 0.45 116.97 118.49 2aqc h TYR 45 Ca -0.23 0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.28 2aqc h TYR 45 Cb 1.96 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 40.18 2aqc h TYR 45 CO 0.00 0.00 0.58 -0.09 -1.32 0.00 0.00 178.16 177.33 2aqc h ARG 46 N 0.00 0.37 -0.37 1.82 2.43 -1.66 0.22 114.38 117.19 2aqc h ARG 46 Ca 0.31 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2aqc h ARG 46 Cb 1.31 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2aqc h ARG 46 CO -0.00 0.24 0.12 0.00 -1.51 0.00 0.00 179.97 178.82 2aqc h ARG 47 N 0.38 0.52 -0.74 0.20 2.47 -1.16 -1.82 114.38 114.24 2aqc h ARG 47 Ca 0.44 -0.07 -0.26 0.00 -1.26 0.00 0.00 59.98 58.83 2aqc h ARG 47 Cb 1.13 -0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 29.20 2aqc h ARG 47 CO -0.15 0.46 0.30 -1.33 0.56 0.00 0.00 179.97 179.81 2aqc n MET 48 N -4.36 3.30 0.26 0.04 2.81 0.73 -4.48 117.12 115.42 2aqc n MET 48 Ca 0.02 -3.08 0.12 0.00 -1.81 0.00 0.00 57.70 52.96 2aqc n MET 48 Cb 0.16 -2.17 0.68 0.00 -0.71 0.00 0.00 33.22 31.18 2aqc n MET 48 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2aqc h LEU 49 N 2.22 0.00 -8.18 4.03 5.85 -0.81 -3.44 115.31 114.97 2aqc h LEU 49 Ca 0.32 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.91 2aqc h LEU 49 Cb 2.34 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 43.23 2aqc h LEU 49 CO 0.76 0.14 -0.55 -0.54 -0.34 0.00 0.00 178.44 177.90 2aqc s LYS 50 N -4.07 0.83 0.18 1.25 3.01 -1.26 -5.11 119.74 114.56 2aqc s LYS 50 Ca -0.02 -1.22 -0.33 0.00 -1.01 0.00 0.00 55.97 53.38 2aqc s LYS 50 Cb 0.12 0.27 -0.14 0.00 -1.01 0.00 0.00 37.83 37.07 2aqc s LYS 50 CO 0.59 -0.23 1.48 0.54 0.51 0.00 0.00 175.35 178.24 2aqc n ARG 51 N -0.03 1.95 -3.65 1.68 5.12 -1.26 -4.98 116.66 115.49 2aqc n ARG 51 Ca -0.11 0.70 -0.27 0.00 -1.93 0.00 0.00 57.85 56.24 2aqc n ARG 51 Cb 0.62 -2.41 -0.17 0.00 -1.16 0.00 0.00 32.46 29.35 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 0.50 0.69 -0.14 7.54 0.00 -1.26 -5.13 121.76 123.97 2aqc s ALA 52 Ca 0.76 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2aqc s ALA 52 Cb -0.71 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2aqc s ALA 52 CO 0.43 -1.24 -0.15 -1.17 0.00 0.00 0.00 175.76 173.63 2aqc s LEU 53 N 2.02 2.55 -0.17 0.00 2.96 -1.26 -5.10 118.68 119.67 2aqc s LEU 53 Ca 0.02 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2aqc s LEU 53 Cb -0.16 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2aqc s LEU 53 CO -0.12 0.13 -0.17 -1.59 -1.32 0.00 0.00 176.35 173.28 2aqc s LYS 54 N 0.53 2.69 0.07 1.98 -2.85 -1.26 -4.98 119.74 115.92 2aqc s LYS 54 Ca -0.10 -0.76 0.17 0.00 -1.00 0.00 0.00 55.97 54.28 2aqc s LYS 54 Cb -0.16 -2.42 -0.12 0.00 -2.06 0.00 0.00 37.83 33.07 2aqc s LYS 54 CO 0.04 -0.24 0.84 -2.95 0.10 0.00 0.00 175.35 173.14 2aqc h ASN 55 N 7.97 0.00 -2.86 0.03 -1.07 -2.09 -3.45 115.58 114.12 2aqc h ASN 55 Ca -0.42 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.38 2aqc h ASN 55 Cb 1.13 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.35 2aqc h ASN 55 CO 0.59 0.54 1.20 -0.54 0.07 0.00 0.00 177.43 179.30 2aqc s LYS 56 N -2.95 3.39 -0.19 4.14 3.01 -1.26 -4.83 119.74 121.05 2aqc s LYS 56 Ca -0.03 1.19 0.08 0.00 -1.01 0.00 0.00 55.97 56.21 2aqc s LYS 56 Cb 0.09 -4.14 -0.22 0.00 -1.01 0.00 0.00 37.83 32.55 2aqc s LYS 56 CO 0.81 -1.80 0.06 0.09 0.51 0.00 0.00 175.35 175.03 2aqc n ASN 57 N 9.85 1.13 -0.07 2.83 3.02 -1.26 -4.27 115.26 126.49 2aqc n ASN 57 Ca 0.20 0.02 0.22 0.00 -0.03 0.00 0.00 54.58 54.99 2aqc n ASN 57 Cb 0.47 0.10 0.67 0.00 -0.61 0.00 0.00 39.78 40.42 2aqc n ASN 57 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2aqc h LYS 58 N 0.01 0.06 -0.16 3.52 6.56 -2.02 -0.63 116.57 123.91 2aqc h LYS 58 Ca -0.51 -0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 58.97 2aqc h LYS 58 Cb 2.06 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.71 2aqc h LYS 58 CO -0.00 0.04 -0.30 0.00 -2.06 0.00 0.00 179.45 177.13 2aqc h ALA 59 N 1.67 0.26 0.00 3.86 0.00 -1.98 -3.57 119.26 119.50 2aqc h ALA 59 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2aqc h ALA 59 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2aqc h ALA 59 CO -0.02 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.89