#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 0.21 0.34 1.61 1.04 -1.26 -5.04 113.70 110.60 2aqc s SER -1 Ca 0.00 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.65 2aqc s SER -1 Cb 0.00 0.32 0.61 0.00 0.10 0.00 0.00 66.02 67.05 2aqc s SER -1 CO 0.00 -0.73 1.87 0.45 0.98 0.00 0.00 173.24 175.81 2aqc h HIS 0 N 2.82 0.52 -3.77 5.02 -0.00 -2.09 -3.44 115.15 114.21 2aqc h HIS 0 Ca -0.34 -0.05 -0.46 0.00 -0.00 0.00 0.00 60.37 59.52 2aqc h HIS 0 Cb 1.19 -0.15 0.09 0.00 -0.00 0.00 0.00 27.41 28.54 2aqc h HIS 0 CO 0.45 0.53 0.27 -1.64 -0.00 0.00 0.00 177.93 177.54 2aqc s MET 1 N -4.93 1.90 0.38 2.45 1.00 -1.26 -5.08 119.30 113.76 2aqc s MET 1 Ca -0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 55.69 55.26 2aqc s MET 1 Cb 0.15 -2.11 -0.05 0.00 0.00 0.00 0.00 34.83 32.83 2aqc s MET 1 CO 0.76 -1.47 0.66 0.14 0.00 0.00 0.00 175.02 175.12 2aqc s VAL 2 N -3.37 4.96 -0.14 -6.03 -7.23 -1.26 -5.01 120.40 102.31 2aqc s VAL 2 Ca 0.63 0.11 0.17 0.00 -1.81 0.00 0.00 61.98 61.08 2aqc s VAL 2 Cb -0.09 -3.80 -0.24 0.00 0.56 0.00 0.00 36.38 32.81 2aqc s VAL 2 CO 0.46 -0.57 0.33 -1.84 -0.31 0.00 0.00 175.10 173.18 2aqc n GLU 3 N -1.57 0.67 -3.69 4.82 0.28 -1.26 -4.93 120.64 114.96 2aqc n GLU 3 Ca -0.01 0.07 -0.36 0.00 -0.16 0.00 0.00 57.16 56.71 2aqc n GLU 3 Cb 0.55 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 2aqc n GLU 3 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2aqc s MET 4 N -2.67 3.66 -0.26 3.44 1.75 -1.26 -5.08 119.30 118.89 2aqc s MET 4 Ca -0.08 0.06 -0.28 0.00 -1.25 0.00 0.00 55.69 54.15 2aqc s MET 4 Cb 0.08 -3.10 0.16 0.00 2.84 0.00 0.00 34.83 34.81 2aqc s MET 4 CO 0.83 0.66 1.24 -0.98 -0.65 0.00 0.00 175.02 176.12 2aqc s ARG 5 N -1.56 0.26 0.00 4.11 1.04 -1.26 -5.19 118.95 116.35 2aqc s ARG 5 Ca 0.26 0.16 0.00 0.00 -1.04 0.00 0.00 55.73 55.11 2aqc s ARG 5 Cb -0.14 0.13 0.00 0.00 -2.04 0.00 0.00 34.95 32.90 2aqc s ARG 5 CO 0.14 -0.06 0.00 0.00 -0.04 0.00 0.00 175.30 175.34 2aqc n MET 6 N 1.14 0.00 -4.54 3.89 0.00 -1.26 -5.00 117.12 111.35 2aqc n MET 6 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.37 2aqc n MET 6 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.71 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 -1.81 1.93 -0.01 3.17 -2.85 -0.66 -4.70 119.74 114.81 2aqc s LYS 7 Ca 0.00 -2.17 -0.09 0.00 -1.00 0.00 0.00 55.97 52.71 2aqc s LYS 7 Cb 0.00 -0.78 0.01 0.00 -2.06 0.00 0.00 37.83 35.00 2aqc s LYS 7 CO 0.00 -0.42 0.18 0.21 0.10 0.00 0.00 175.35 175.42 2aqc s LYS 8 N -3.76 0.51 -0.21 1.78 2.20 0.73 -1.16 119.74 119.83 2aqc s LYS 8 Ca 0.23 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 2aqc s LYS 8 Cb 0.03 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2aqc s LYS 8 CO 0.13 -0.12 1.45 0.00 -0.36 0.00 0.00 175.35 176.45 2aqc n PRO 10 N 7.26 0.18 -0.09 0.00 -0.04 -1.26 0.16 135.00 141.21 2aqc n PRO 10 Ca 0.16 0.16 -0.22 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 -1.31 0.65 -0.05 0.54 4.01 -1.26 -4.82 118.16 115.92 2aqc n LYS 11 Ca 0.07 0.28 -0.09 0.00 -0.51 0.00 0.00 58.31 58.06 2aqc n LYS 11 Cb 0.12 -1.61 -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 2.21 1.89 3.72 0.00 0.00 0.12 -5.00 105.19 108.13 2aqc n GLY 13 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 4.23 0.33 0.99 2.96 -1.26 -4.74 118.68 121.20 2aqc s LEU 14 Ca 0.00 0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 54.16 2aqc s LEU 14 Cb 0.00 -2.35 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 2aqc s LEU 14 CO 0.00 0.10 0.89 -0.31 -1.32 0.00 0.00 176.35 175.70 2aqc s TYR 15 N 0.52 3.57 0.02 5.38 2.02 -1.26 -1.31 117.35 126.28 2aqc s TYR 15 Ca 0.16 1.62 -0.27 0.00 -0.37 0.00 0.00 57.07 58.21 2aqc s TYR 15 Cb -0.13 -2.82 0.09 0.00 -0.40 0.00 0.00 41.96 38.70 2aqc s TYR 15 CO 0.03 0.15 1.24 -2.37 -1.57 0.00 0.00 175.55 173.03 2aqc n THR 16 N 0.23 0.00 -0.52 -0.71 5.66 -0.31 -4.97 114.28 113.65 2aqc n THR 16 Ca 0.03 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2aqc n THR 16 Cb 0.51 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 2aqc n THR 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2aqc n LEU 17 N 0.00 0.63 -0.06 1.09 4.77 -1.26 -1.65 117.00 120.51 2aqc n LEU 17 Ca 0.03 -0.63 0.16 0.00 -0.03 0.00 0.00 56.01 55.54 2aqc n LEU 17 Cb 0.58 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.56 2aqc n LEU 17 CO 0.16 0.16 1.08 0.29 -1.33 0.00 0.00 177.39 177.75 2aqc n LYS 18 N -0.08 1.08 -1.04 3.23 4.76 -1.26 -4.86 118.16 120.00 2aqc n LYS 18 Ca 0.00 -0.13 -0.01 0.00 -2.87 0.00 0.00 58.31 55.30 2aqc n LYS 18 Cb 0.21 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.90 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 -0.84 -1.66 -3.86 1.97 1.02 -1.26 -4.93 120.64 111.08 2aqc n GLU 19 Ca 0.23 0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 2aqc n GLU 19 Cb 0.14 -4.74 -0.11 0.00 -0.02 0.00 0.00 31.44 26.71 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 -1.26 0.04 -0.42 -3.67 -1.09 -1.26 -1.53 121.20 112.01 2aqc s ILE 20 Ca 0.00 -0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 57.83 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 -0.20 0.73 0.00 -1.23 0.00 0.00 174.94 174.24 2aqc n PRO 22 N 6.47 0.15 -0.05 0.00 -0.04 -1.26 0.56 135.00 140.84 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 1.63 -1.96 -3.43 116.57 113.35 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 0.17 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 2aqc h LYS 23 CO 0.00 0.00 -2.42 0.00 -3.45 0.00 0.00 179.45 173.58 2aqc n GLY 25 N 2.08 1.90 3.55 0.00 0.00 0.19 -5.06 105.19 107.86 2aqc n GLY 25 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.57 2.89 0.42 1.61 2.56 -1.23 -4.76 118.70 119.61 2aqc s GLU 26 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 54.97 54.17 2aqc s GLU 26 Cb 0.00 -2.62 -0.11 0.00 2.00 0.00 0.00 34.13 33.40 2aqc s GLU 26 CO 0.00 0.58 0.82 1.17 -0.56 0.00 0.00 175.26 177.27 2aqc n LYS 27 N 2.49 1.00 -3.28 4.30 4.81 -1.26 -0.39 118.16 125.82 2aqc n LYS 27 Ca -0.18 0.36 -0.24 0.00 -0.87 0.00 0.00 58.31 57.38 2aqc n LYS 27 Cb 0.53 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.76 2aqc n LYS 27 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2aqc s THR 28 N -1.34 5.08 0.06 3.15 -4.23 -0.58 -4.60 115.64 113.18 2aqc s THR 28 Ca 0.64 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 2aqc s THR 28 Cb -0.59 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.36 2aqc s THR 28 CO 0.57 -0.59 -0.06 0.68 -0.54 0.00 0.00 174.62 174.68 2aqc s VAL 29 N -2.36 0.52 -0.20 2.29 -7.23 0.79 -4.84 120.40 109.37 2aqc s VAL 29 Ca 0.41 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 2aqc s VAL 29 Cb -0.10 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 2aqc s VAL 29 CO 0.37 -0.62 1.94 -0.63 -0.31 0.00 0.00 175.10 175.85 2aqc s ILE 30 N -2.38 3.28 0.02 -0.62 -1.09 -1.26 -0.19 121.20 118.96 2aqc s ILE 30 Ca -0.02 0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 58.49 2aqc s ILE 30 Cb -0.03 -3.32 -0.16 0.00 -1.58 0.00 0.00 42.46 37.37 2aqc s ILE 30 CO -0.02 -0.16 1.32 1.55 -1.23 0.00 0.00 174.94 176.39 2aqc h PRO 31 N 12.80 0.24 -7.10 2.79 0.13 -1.84 -3.45 132.00 135.56 2aqc h PRO 31 Ca -0.39 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 2aqc h PRO 31 Cb 1.20 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.51 2aqc h PRO 31 CO 0.98 0.66 0.31 0.36 -0.23 0.00 0.00 178.00 180.07 2aqc n LYS 32 N -4.66 0.51 -1.19 0.86 0.00 -1.26 -4.99 118.16 107.44 2aqc n LYS 32 Ca -0.07 0.24 -0.29 0.00 -0.00 0.00 0.00 58.31 58.19 2aqc n LYS 32 Cb 0.32 -2.40 0.16 0.00 -0.00 0.00 0.00 35.03 33.12 2aqc n LYS 32 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2aqc s PRO 33 N -3.69 0.75 0.64 -1.58 0.04 -1.26 -5.05 135.00 124.85 2aqc s PRO 33 Ca 0.76 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2aqc s PRO 33 Cb -0.33 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 32.60 2aqc s PRO 33 CO 0.48 -2.54 0.57 -0.35 0.04 0.00 0.00 177.00 175.20 2aqc n PRO 34 N -4.06 -2.14 -0.03 0.56 -0.04 -1.26 -5.00 135.00 123.03 2aqc n PRO 34 Ca 0.06 -0.91 0.03 0.00 -0.04 0.00 0.00 63.50 62.64 2aqc n PRO 34 Cb 0.56 -0.85 -0.16 0.00 -0.04 0.00 0.00 33.50 33.01 2aqc n PRO 34 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aqc n LYS 35 N -3.25 0.67 -3.85 0.54 4.01 -1.26 -4.85 118.16 110.16 2aqc n LYS 35 Ca 0.08 -0.10 -0.36 0.00 -0.51 0.00 0.00 58.31 57.42 2aqc n LYS 35 Cb 0.31 -1.55 -0.13 0.00 -0.51 0.00 0.00 35.03 33.14 2aqc n LYS 35 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 2aqc s PHE 36 N -3.13 3.18 0.11 2.13 -0.71 -1.26 -5.01 117.98 113.30 2aqc s PHE 36 Ca -0.08 -1.48 -0.26 0.00 -1.04 0.00 0.00 56.93 54.07 2aqc s PHE 36 Cb 0.11 -2.16 0.08 0.00 -1.21 0.00 0.00 43.02 39.84 2aqc s PHE 36 CO 0.87 -0.72 1.07 0.45 -1.34 0.00 0.00 175.22 175.56 2aqc s SER 37 N 1.36 -0.10 0.14 1.98 0.15 -1.26 -5.04 113.70 110.93 2aqc s SER 37 Ca -0.01 -0.39 0.12 0.00 0.70 0.00 0.00 55.95 56.36 2aqc s SER 37 Cb -0.18 0.39 -0.12 0.00 -1.71 0.00 0.00 66.02 64.40 2aqc s SER 37 CO -0.00 -0.75 1.18 -0.07 1.20 0.00 0.00 173.24 174.80 2aqc h LEU 38 N 2.00 0.00 -2.44 3.45 3.38 -1.97 -3.26 115.31 116.47 2aqc h LEU 38 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2aqc h LEU 38 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2aqc h LEU 38 CO 0.29 0.79 -0.03 -0.33 0.09 0.00 0.00 178.44 179.25 2aqc h GLU 39 N 0.00 0.00 -6.74 1.13 4.39 -2.00 -3.44 114.58 107.92 2aqc h GLU 39 Ca -0.07 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.11 2aqc h GLU 39 Cb 1.66 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 30.53 2aqc h GLU 39 CO 0.09 0.03 -0.70 -0.25 -1.16 0.00 0.00 179.01 177.02 2aqc n ASP 40 N -3.50 -2.29 0.00 1.42 9.92 -1.23 -4.92 116.55 115.95 2aqc n ASP 40 Ca -0.02 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2aqc n ASP 40 Cb 0.13 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 2aqc n ASP 40 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2aqc n ARG 41 N -1.57 0.00 0.01 -1.24 3.00 -1.26 -3.88 116.66 111.72 2aqc n ARG 41 Ca 0.05 0.60 0.03 0.00 -0.00 0.00 0.00 57.85 58.54 2aqc n ARG 41 Cb 0.55 -1.40 -0.11 0.00 0.00 0.00 0.00 32.46 31.50 2aqc n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2aqc n TRP 42 N -2.07 0.53 0.00 -0.14 8.01 -1.26 -4.99 117.44 117.52 2aqc n TRP 42 Ca 0.00 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 2aqc n TRP 42 Cb 0.00 -0.89 0.00 0.00 -2.01 0.00 0.00 31.31 28.41 2aqc n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2aqc n GLY 43 N 1.39 1.21 0.45 6.99 0.00 -1.25 -3.77 105.19 110.21 2aqc n GLY 43 Ca -0.11 0.40 0.27 0.00 0.00 0.00 0.00 46.02 46.58 2aqc n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2aqc h LYS 44 N 0.00 0.01 -0.38 1.61 2.10 -1.94 0.23 116.57 118.19 2aqc h LYS 44 Ca 0.00 -0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2aqc h LYS 44 Cb 0.00 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2aqc h LYS 44 CO 0.00 0.01 0.35 -0.92 -2.00 0.00 0.00 179.45 176.89 2aqc h TYR 45 N 0.01 0.00 -0.86 0.07 3.20 -1.99 -0.40 116.97 117.01 2aqc h TYR 45 Ca 0.40 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.48 2aqc h TYR 45 Cb 1.57 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.79 2aqc h TYR 45 CO -0.00 0.00 0.59 0.07 -1.64 0.00 0.00 178.16 177.18 2aqc h ARG 46 N 0.00 0.23 -0.57 1.82 -0.00 -0.88 0.20 114.38 115.19 2aqc h ARG 46 Ca 0.18 -0.01 0.08 0.00 -0.00 0.00 0.00 59.98 60.22 2aqc h ARG 46 Cb 0.89 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.77 2aqc h ARG 46 CO -0.00 0.15 0.38 0.00 -0.00 0.00 0.00 179.97 180.50 2aqc h ARG 47 N 0.24 0.45 -0.74 0.08 2.47 -1.26 0.42 114.38 116.04 2aqc h ARG 47 Ca 0.43 -0.03 -0.22 0.00 -1.26 0.00 0.00 59.98 58.90 2aqc h ARG 47 Cb 1.31 -0.10 -0.13 0.00 -1.65 0.00 0.00 29.97 29.40 2aqc h ARG 47 CO -0.11 0.30 0.28 -1.33 0.56 0.00 0.00 179.97 179.67 2aqc n MET 48 N -4.47 3.69 -0.06 0.04 2.81 0.71 -4.20 117.12 115.62 2aqc n MET 48 Ca 0.08 -3.10 -0.05 0.00 -1.81 0.00 0.00 57.70 52.83 2aqc n MET 48 Cb 0.30 -2.22 -0.13 0.00 -0.71 0.00 0.00 33.22 30.46 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 -0.19 0.00 -4.26 4.03 0.00 0.14 -5.01 117.00 111.70 2aqc n LEU 49 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 56.14 2aqc n LEU 49 Cb 1.39 0.31 0.21 0.00 0.00 0.00 0.00 43.42 45.34 2aqc n LEU 49 CO 0.44 0.31 -0.09 2.29 0.00 0.00 0.00 177.39 180.34 2aqc n LYS 50 N -2.49 -2.44 -4.82 1.96 2.85 -1.23 -5.01 118.16 106.98 2aqc n LYS 50 Ca -0.21 -0.70 -0.33 0.00 -1.05 0.00 0.00 58.31 56.02 2aqc n LYS 50 Cb 0.90 -1.80 -0.13 0.00 -0.65 0.00 0.00 35.03 33.36 2aqc n LYS 50 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2aqc s ARG 51 N -3.88 2.49 -0.06 -1.58 1.70 -1.26 -5.12 118.95 111.24 2aqc s ARG 51 Ca 0.57 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 2aqc s ARG 51 Cb -0.14 -2.39 0.02 0.00 -0.57 0.00 0.00 34.95 31.87 2aqc s ARG 51 CO 0.59 0.62 -0.04 0.00 -1.08 0.00 0.00 175.30 175.39 2aqc s ALA 52 N -0.77 0.79 -0.05 7.88 0.00 -1.26 -5.13 121.76 123.22 2aqc s ALA 52 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2aqc s ALA 52 Cb -0.11 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2aqc s ALA 52 CO 0.01 -0.16 -0.03 -1.17 0.00 0.00 0.00 175.76 174.42 2aqc s LEU 53 N 1.24 1.16 -0.22 0.00 0.20 -1.26 -5.11 118.68 114.69 2aqc s LEU 53 Ca -0.06 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 2aqc s LEU 53 Cb -0.14 -0.40 0.10 0.00 -0.43 0.00 0.00 46.19 45.32 2aqc s LEU 53 CO -0.02 -0.09 0.21 -0.75 -0.29 0.00 0.00 176.35 175.41 2aqc s LYS 54 N 1.13 0.20 -1.32 1.98 2.47 -1.26 -4.87 119.74 118.07 2aqc s LYS 54 Ca -0.08 0.02 -0.07 0.00 -1.56 0.00 0.00 55.97 54.29 2aqc s LYS 54 Cb -0.14 -1.20 0.01 0.00 -1.46 0.00 0.00 37.83 35.04 2aqc s LYS 54 CO -0.01 -0.76 0.87 -1.71 0.16 0.00 0.00 175.35 173.90 2aqc n ASN 55 N 5.30 -5.92 0.19 1.43 4.05 -1.26 -4.89 115.26 114.16 2aqc n ASN 55 Ca -0.05 -0.40 0.11 0.00 0.45 0.00 0.00 54.58 54.69 2aqc n ASN 55 Cb 0.48 -4.62 0.12 0.00 1.23 0.00 0.00 39.78 36.99 2aqc n ASN 55 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 2aqc h LYS 56 N -2.00 0.00 0.00 1.20 3.11 -1.99 -3.24 116.57 113.64 2aqc h LYS 56 Ca -0.51 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.22 2aqc h LYS 56 Cb 1.34 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.55 2aqc h LYS 56 CO 0.52 0.02 -0.55 -0.97 -2.81 0.00 0.00 179.45 175.65 2aqc h ASN 57 N 0.00 0.00 -5.88 4.20 -0.00 -2.00 -3.47 115.58 108.43 2aqc h ASN 57 Ca -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.30 55.90 2aqc h ASN 57 Cb 1.02 0.00 0.12 0.00 -0.00 0.00 0.00 38.32 39.46 2aqc h ASN 57 CO 0.00 0.55 -0.71 0.29 -0.00 0.00 0.00 177.43 177.56 2aqc n LYS 58 N -3.34 -7.30 -4.38 6.67 5.02 -1.23 -4.99 118.16 108.62 2aqc n LYS 58 Ca 0.01 0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 56.76 2aqc n LYS 58 Cb 0.70 -5.80 -0.12 0.00 -0.02 0.00 0.00 35.03 29.79 2aqc n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aqc s ALA 59 N -3.34 3.04 -2.29 7.82 0.00 -1.26 -5.21 121.76 120.51 2aqc s ALA 59 Ca 0.46 -0.81 0.30 0.00 0.00 0.00 0.00 51.96 51.90 2aqc s ALA 59 Cb -0.21 -1.57 1.41 0.00 0.00 0.00 0.00 23.12 22.75 2aqc s ALA 59 CO 0.75 0.24 1.95 -1.91 0.00 0.00 0.00 175.76 176.78