#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 6.61 0.04 1.61 0.01 -1.26 -5.01 113.70 115.71 2aqc s SER -1 Ca 0.00 2.60 -0.02 0.00 1.31 0.00 0.00 55.95 59.85 2aqc s SER -1 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2aqc s SER -1 CO 0.00 -0.80 -0.00 -1.00 0.41 0.00 0.00 173.24 171.85 2aqc s HIS 0 N 1.00 0.41 -0.31 2.43 4.02 -1.26 -5.05 115.29 116.53 2aqc s HIS 0 Ca 0.68 -0.86 0.08 0.00 1.02 0.00 0.00 55.06 55.99 2aqc s HIS 0 Cb -0.43 -0.30 0.50 0.00 -1.02 0.00 0.00 32.58 31.33 2aqc s HIS 0 CO 0.33 -0.35 1.46 0.00 1.02 0.00 0.00 174.74 177.20 2aqc n MET 1 N 0.51 2.00 -3.87 1.40 -0.00 -1.26 -4.98 117.12 110.92 2aqc n MET 1 Ca -0.17 -3.29 -0.12 0.00 -0.00 0.00 0.00 57.70 54.12 2aqc n MET 1 Cb 0.59 -1.87 -0.14 0.00 -0.00 0.00 0.00 33.22 31.81 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 -3.44 0.01 -0.06 3.17 0.11 -1.26 -5.15 120.40 113.78 2aqc s VAL 2 Ca 0.46 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2aqc s VAL 2 Cb 0.41 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 35.18 2aqc s VAL 2 CO -0.00 -0.03 0.01 -1.83 -3.33 0.00 0.00 175.10 169.92 2aqc s GLU 3 N -0.07 2.94 0.23 1.54 1.03 -1.26 -5.11 118.70 117.99 2aqc s GLU 3 Ca -0.01 -0.47 -0.16 0.00 0.03 0.00 0.00 54.97 54.37 2aqc s GLU 3 Cb -0.01 -2.77 0.01 0.00 -0.80 0.00 0.00 34.13 30.57 2aqc s GLU 3 CO -0.00 0.68 0.52 -1.64 -1.33 0.00 0.00 175.26 173.49 2aqc s MET 4 N -1.15 1.49 0.43 -4.83 -1.94 -1.26 -5.14 119.30 106.90 2aqc s MET 4 Ca 0.16 -1.05 -0.24 0.00 -1.71 0.00 0.00 55.69 52.85 2aqc s MET 4 Cb -0.11 0.51 -0.10 0.00 2.01 0.00 0.00 34.83 37.13 2aqc s MET 4 CO 0.06 -0.63 1.00 2.89 -0.01 0.00 0.00 175.02 178.32 2aqc n ARG 5 N -0.37 1.31 -1.54 2.03 -4.01 -1.26 -4.96 116.66 107.87 2aqc n ARG 5 Ca -0.06 0.47 0.00 0.00 -1.04 0.00 0.00 57.85 57.23 2aqc n ARG 5 Cb 0.62 -2.04 0.00 0.00 -3.04 0.00 0.00 32.46 28.00 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 0.10 0.00 -4.49 2.89 0.00 -1.26 -5.00 117.12 109.36 2aqc n MET 6 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.56 2aqc n MET 6 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.53 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 -1.71 1.82 -0.00 3.17 -2.85 -0.65 -4.70 119.74 114.82 2aqc s LYS 7 Ca 0.00 -2.08 -0.07 0.00 -1.00 0.00 0.00 55.97 52.82 2aqc s LYS 7 Cb 0.00 -0.68 0.00 0.00 -2.06 0.00 0.00 37.83 35.09 2aqc s LYS 7 CO 0.00 -0.38 0.13 0.21 0.10 0.00 0.00 175.35 175.41 2aqc s LYS 8 N -3.79 0.45 -0.21 1.78 2.20 0.70 -1.01 119.74 119.87 2aqc s LYS 8 Ca 0.28 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 2aqc s LYS 8 Cb 0.05 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2aqc s LYS 8 CO 0.14 -0.11 1.46 0.00 -0.36 0.00 0.00 175.35 176.49 2aqc n PRO 10 N 7.27 0.21 -0.09 0.00 -0.04 -1.26 0.11 135.00 141.19 2aqc n PRO 10 Ca 0.16 0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.54 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 0.64 -0.05 0.54 4.01 -1.26 -4.82 118.16 115.94 2aqc n LYS 11 Ca 0.07 0.30 -0.10 0.00 -0.51 0.00 0.00 58.31 58.07 2aqc n LYS 11 Cb 0.12 -1.61 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 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 2.16 1.87 3.72 0.00 0.00 0.12 -5.00 105.19 108.04 2aqc n GLY 13 Ca -0.17 0.00 -0.36 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 4.22 0.34 0.99 2.96 -1.26 -4.74 118.68 121.20 2aqc s LEU 14 Ca 0.00 0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 2aqc s LEU 14 Cb 0.00 -2.31 -0.10 0.00 0.50 0.00 0.00 46.19 44.28 2aqc s LEU 14 CO 0.00 0.10 0.90 -0.31 -1.32 0.00 0.00 176.35 175.72 2aqc s TYR 15 N 0.56 3.55 0.02 5.38 1.51 -1.26 -1.32 117.35 125.79 2aqc s TYR 15 Ca 0.14 1.64 -0.27 0.00 -1.01 0.00 0.00 57.07 57.57 2aqc s TYR 15 Cb -0.13 -2.83 0.09 0.00 -0.11 0.00 0.00 41.96 38.98 2aqc s TYR 15 CO 0.03 0.12 1.24 -0.08 -1.11 0.00 0.00 175.55 175.75 2aqc s THR 16 N -1.80 0.00 0.00 -0.71 -1.32 -0.18 -4.97 115.64 106.66 2aqc s THR 16 Ca 0.53 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2aqc s THR 16 Cb -0.15 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 2aqc s THR 16 CO 0.20 0.00 0.39 0.18 -2.21 0.00 0.00 174.62 173.17 2aqc n LEU 17 N -0.89 0.63 -0.04 9.08 4.77 -1.26 -1.64 117.00 127.65 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 0.59 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.56 2aqc n LEU 17 CO 0.17 0.16 1.08 0.29 -1.33 0.00 0.00 177.39 177.75 2aqc n LYS 18 N -0.07 1.00 -1.03 3.23 4.76 -1.26 -4.86 118.16 119.93 2aqc n LYS 18 Ca 0.00 -0.09 -0.01 0.00 -2.87 0.00 0.00 58.31 55.34 2aqc n LYS 18 Cb 0.20 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.92 -1.64 -3.85 1.97 1.02 -1.26 -4.93 120.64 111.02 2aqc n GLU 19 Ca 0.22 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2aqc n GLU 19 Cb 0.15 -4.71 -0.11 0.00 -0.02 0.00 0.00 31.44 26.74 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 -1.51 121.20 112.04 2aqc s ILE 20 Ca 0.00 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.86 2aqc s ILE 20 Cb 0.00 -0.30 0.02 0.00 -1.58 0.00 0.00 42.46 40.60 2aqc s ILE 20 CO 0.00 -0.18 0.77 0.00 -1.23 0.00 0.00 174.94 174.29 2aqc n PRO 22 N 6.56 0.17 -0.05 0.00 -0.04 -1.26 0.51 135.00 140.89 2aqc n PRO 22 Ca 0.02 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 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 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 2aqc h LYS 23 Cb 0.16 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.72 2aqc h LYS 23 CO 0.00 0.00 -2.43 0.00 -3.45 0.00 0.00 179.45 173.57 2aqc n GLY 25 N 2.07 1.87 3.58 0.00 0.00 0.18 -5.06 105.19 107.84 2aqc n GLY 25 Ca -0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.52 3.00 0.36 1.61 2.56 -1.23 -4.75 118.70 119.72 2aqc s GLU 26 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 54.97 54.20 2aqc s GLU 26 Cb 0.00 -2.69 -0.12 0.00 2.00 0.00 0.00 34.13 33.31 2aqc s GLU 26 CO 0.00 0.58 0.93 1.17 -0.56 0.00 0.00 175.26 177.38 2aqc n LYS 27 N 2.50 1.22 -3.11 4.30 4.81 -1.26 -0.40 118.16 126.21 2aqc n LYS 27 Ca -0.18 0.43 -0.26 0.00 -0.87 0.00 0.00 58.31 57.43 2aqc n LYS 27 Cb 0.53 -1.87 -0.01 0.00 0.02 0.00 0.00 35.03 33.70 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 -1.21 5.02 0.07 3.15 -4.23 -0.57 -4.60 115.64 113.26 2aqc s THR 28 Ca 0.61 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2aqc s THR 28 Cb -0.63 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.35 2aqc s THR 28 CO 0.58 -0.61 -0.07 0.68 -0.54 0.00 0.00 174.62 174.66 2aqc s VAL 29 N -2.41 0.62 -0.19 2.29 -7.23 0.81 -4.83 120.40 109.45 2aqc s VAL 29 Ca 0.43 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2aqc s VAL 29 Cb -0.10 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2aqc s VAL 29 CO 0.38 -0.59 1.97 -0.63 -0.31 0.00 0.00 175.10 175.91 2aqc s ILE 30 N -2.35 3.24 -0.34 -0.62 -1.09 -1.26 -0.22 121.20 118.55 2aqc s ILE 30 Ca -0.00 0.26 -0.28 0.00 -2.23 0.00 0.00 60.65 58.39 2aqc s ILE 30 Cb -0.03 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2aqc s ILE 30 CO -0.02 -0.14 1.70 -2.16 -1.23 0.00 0.00 174.94 173.09 2aqc s PRO 31 N 5.53 3.41 -0.77 2.79 0.04 -1.26 -4.91 135.00 139.83 2aqc s PRO 31 Ca 0.89 1.32 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2aqc s PRO 31 Cb -0.31 -4.15 0.22 0.00 0.04 0.00 0.00 34.50 30.30 2aqc s PRO 31 CO 0.35 -1.76 0.74 1.17 0.04 0.00 0.00 177.00 177.54 2aqc n LYS 32 N 8.32 2.50 -1.18 4.56 4.81 -1.26 -5.04 118.16 130.88 2aqc n LYS 32 Ca 0.21 -4.56 -0.29 0.00 -0.87 0.00 0.00 58.31 52.80 2aqc n LYS 32 Cb 0.47 -2.33 0.16 0.00 0.02 0.00 0.00 35.03 33.35 2aqc n LYS 32 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2aqc s PRO 33 N -1.91 0.73 1.21 1.64 0.04 -1.26 -5.05 135.00 130.40 2aqc s PRO 33 Ca 0.31 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 2aqc s PRO 33 Cb 0.02 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 33.09 2aqc s PRO 33 CO -0.08 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.26 2aqc s PRO 34 N -4.95 -1.31 0.62 0.56 0.04 -1.26 -4.89 135.00 123.82 2aqc s PRO 34 Ca 0.65 -0.10 0.35 0.00 0.04 0.00 0.00 61.00 61.93 2aqc s PRO 34 Cb -0.18 -1.59 2.01 0.00 0.04 0.00 0.00 34.50 34.78 2aqc s PRO 34 CO 0.57 -3.76 2.26 1.57 0.04 0.00 0.00 177.00 177.68 2aqc h LYS 35 N -2.62 0.00 -5.09 4.56 -0.00 -1.98 -3.36 116.57 108.09 2aqc h LYS 35 Ca -0.44 0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 59.54 2aqc h LYS 35 Cb 1.29 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 33.35 2aqc h LYS 35 CO 0.33 0.00 0.37 0.12 -0.00 0.00 0.00 179.45 180.26 2aqc s PHE 36 N -4.44 2.84 0.21 0.07 5.36 -1.26 -4.62 117.98 116.14 2aqc s PHE 36 Ca -0.05 -0.77 -0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2aqc s PHE 36 Cb 0.14 -4.17 -0.04 0.00 -0.34 0.00 0.00 43.02 38.61 2aqc s PHE 36 CO 0.48 -1.49 0.15 0.45 -1.46 0.00 0.00 175.22 173.35 2aqc s SER 37 N 3.65 0.30 0.11 6.13 0.15 -1.26 -5.06 113.70 117.72 2aqc s SER 37 Ca 0.18 -1.42 0.16 0.00 0.70 0.00 0.00 55.95 55.56 2aqc s SER 37 Cb -0.20 0.40 -0.10 0.00 -1.71 0.00 0.00 66.02 64.42 2aqc s SER 37 CO 0.08 -0.87 0.98 -0.07 1.20 0.00 0.00 173.24 174.56 2aqc h LEU 38 N 2.57 0.00 -1.54 3.45 4.07 -1.96 -3.33 115.31 118.57 2aqc h LEU 38 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2aqc h LEU 38 Cb 1.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 2aqc h LEU 38 CO 0.51 0.60 0.27 -0.33 -1.08 0.00 0.00 178.44 178.42 2aqc h GLU 39 N 0.00 0.58 -5.21 1.13 5.08 -1.99 -3.40 114.58 110.77 2aqc h GLU 39 Ca -0.12 -0.04 -0.62 0.00 -1.00 0.00 0.00 59.36 57.57 2aqc h GLU 39 Cb 1.57 -0.13 -0.18 0.00 0.50 0.00 0.00 28.75 30.52 2aqc h GLU 39 CO 0.06 0.40 -0.58 0.16 -1.00 0.00 0.00 179.01 178.04 2aqc s ASP 40 N -6.66 5.47 -0.06 1.42 1.47 -1.25 -5.01 116.67 112.04 2aqc s ASP 40 Ca -0.08 0.00 -0.21 0.00 1.18 0.00 0.00 52.55 53.44 2aqc s ASP 40 Cb 0.17 -1.94 -0.16 0.00 -0.34 0.00 0.00 42.92 40.65 2aqc s ASP 40 CO 0.74 0.13 0.84 0.03 0.68 0.00 0.00 175.17 177.59 2aqc h ARG 41 N 7.04 -0.16 0.00 2.11 3.08 -1.85 -3.32 114.38 121.28 2aqc h ARG 41 Ca -0.36 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2aqc h ARG 41 Cb 1.17 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2aqc h ARG 41 CO 0.67 0.32 -0.48 -1.49 -1.07 0.00 0.00 179.97 177.91 2aqc h TRP 42 N -0.86 0.00 0.00 3.04 4.06 -1.95 -3.48 115.95 116.76 2aqc h TRP 42 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2aqc h TRP 42 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2aqc h TRP 42 CO 0.10 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.39 2aqc n GLY 43 N 1.15 1.30 0.40 1.49 0.00 -1.25 -3.78 105.19 104.50 2aqc n GLY 43 Ca 0.02 0.38 0.21 0.00 0.00 0.00 0.00 46.02 46.63 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 0.12 0.00 1.61 6.56 -1.93 0.24 116.57 123.17 2aqc h LYS 44 Ca 0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2aqc h LYS 44 Cb 0.00 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2aqc h LYS 44 CO 0.00 0.08 -0.02 -0.92 -2.06 0.00 0.00 179.45 176.54 2aqc h TYR 45 N 0.13 0.00 -0.84 -1.35 3.20 -1.98 -1.93 116.97 114.19 2aqc h TYR 45 Ca 0.33 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.41 2aqc h TYR 45 Cb 1.12 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 2aqc h TYR 45 CO -0.00 0.02 0.58 -0.09 -1.64 0.00 0.00 178.16 177.02 2aqc h ARG 46 N 0.00 0.23 -0.44 1.82 2.43 -0.84 0.22 114.38 117.80 2aqc h ARG 46 Ca -0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2aqc h ARG 46 Cb 0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2aqc h ARG 46 CO 0.00 0.15 0.29 0.00 -1.51 0.00 0.00 179.97 178.91 2aqc h ARG 47 N 0.24 0.52 -0.66 0.20 3.08 -1.51 -1.13 114.38 115.12 2aqc h ARG 47 Ca 0.42 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 60.20 2aqc h ARG 47 Cb 1.28 -0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 2aqc h ARG 47 CO -0.10 0.35 0.25 -1.33 -1.07 0.00 0.00 179.97 178.07 2aqc n MET 48 N -4.48 3.00 -0.03 0.04 2.81 0.73 -4.36 117.12 114.84 2aqc n MET 48 Ca 0.04 -3.07 -0.07 0.00 -1.81 0.00 0.00 57.70 52.80 2aqc n MET 48 Cb 0.10 -2.09 -0.13 0.00 -0.71 0.00 0.00 33.22 30.39 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 -0.58 0.71 0.09 4.03 0.00 -0.43 -3.92 117.00 116.91 2aqc n LEU 49 Ca 0.41 0.33 0.10 0.00 0.00 0.00 0.00 56.01 56.85 2aqc n LEU 49 Cb 1.32 0.21 0.43 0.00 0.00 0.00 0.00 43.42 45.38 2aqc n LEU 49 CO 0.39 0.36 0.79 2.29 0.00 0.00 0.00 177.39 181.22 2aqc n LYS 50 N -2.95 0.13 -4.32 1.96 2.85 -1.26 -4.50 118.16 110.07 2aqc n LYS 50 Ca -0.18 0.42 -0.31 0.00 -1.05 0.00 0.00 58.31 57.19 2aqc n LYS 50 Cb 1.02 -1.77 -0.16 0.00 -0.65 0.00 0.00 35.03 33.47 2aqc n LYS 50 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2aqc s ARG 51 N -3.26 2.70 -0.07 -1.58 1.81 -1.25 -4.98 118.95 112.33 2aqc s ARG 51 Ca 0.03 -0.73 0.10 0.00 -1.72 0.00 0.00 55.73 53.41 2aqc s ARG 51 Cb 0.08 -2.30 -0.14 0.00 -0.45 0.00 0.00 34.95 32.14 2aqc s ARG 51 CO 0.30 -0.13 0.10 0.00 -0.68 0.00 0.00 175.30 174.89 2aqc n ALA 52 N 4.42 1.97 -2.41 2.13 0.00 -1.26 -4.96 120.51 120.39 2aqc n ALA 52 Ca -0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 2aqc n ALA 52 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2aqc n ALA 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aqc s LEU 53 N -4.41 4.28 -0.49 0.00 1.02 -1.26 -4.97 118.68 112.84 2aqc s LEU 53 Ca -0.05 1.86 -0.29 0.00 0.02 0.00 0.00 54.13 55.68 2aqc s LEU 53 Cb 0.04 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.72 2aqc s LEU 53 CO 0.42 -0.63 1.26 -0.54 0.02 0.00 0.00 176.35 176.89 2aqc s LYS 54 N 2.36 3.59 0.44 1.70 1.02 -1.26 -5.00 119.74 122.60 2aqc s LYS 54 Ca 0.57 0.58 -0.24 0.00 0.02 0.00 0.00 55.97 56.90 2aqc s LYS 54 Cb -0.26 -3.99 -0.08 0.00 -0.52 0.00 0.00 37.83 32.99 2aqc s LYS 54 CO 0.22 -1.57 1.26 0.54 -0.92 0.00 0.00 175.35 174.88 2aqc s ASN 55 N 3.21 6.12 -0.20 2.83 2.20 -1.26 -4.95 114.94 122.89 2aqc s ASN 55 Ca 0.51 2.54 0.13 0.00 -0.94 0.00 0.00 52.86 55.10 2aqc s ASN 55 Cb -0.09 -2.63 0.41 0.00 -2.00 0.00 0.00 41.25 36.95 2aqc s ASN 55 CO 0.30 -0.97 1.27 2.29 -2.94 0.00 0.00 177.10 177.06 2aqc n LYS 56 N -0.24 1.69 0.00 3.55 2.85 -1.26 -4.62 118.16 120.13 2aqc n LYS 56 Ca 0.06 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.28 2aqc n LYS 56 Cb 0.45 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2aqc n LYS 56 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2aqc n ASN 57 N -1.15 3.96 -3.64 -5.58 6.94 -1.26 -5.04 115.26 109.49 2aqc n ASN 57 Ca 0.21 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.54 2aqc n ASN 57 Cb 0.77 0.13 0.07 0.00 -2.36 0.00 0.00 39.78 38.40 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 -2.26 -7.13 0.22 -3.83 4.81 -1.26 -4.85 118.16 103.84 2aqc n LYS 58 Ca 0.00 0.78 0.15 0.00 -0.87 0.00 0.00 58.31 58.37 2aqc n LYS 58 Cb 0.46 -5.77 0.80 0.00 0.02 0.00 0.00 35.03 30.54 2aqc n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2aqc h ALA 59 N 0.98 1.85 -0.00 3.14 0.00 -1.98 -3.55 119.26 119.70 2aqc h ALA 59 Ca -0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2aqc h ALA 59 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2aqc h ALA 59 CO 0.57 -0.21 0.00 -0.85 0.00 0.00 0.00 179.25 178.76