#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx h LYS 2 N 0.00 0.37 0.00 -1.24 1.63 -2.09 -3.48 116.57 111.76 1axx h LYS 2 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1axx h LYS 2 Cb 0.00 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1axx h LYS 2 CO 0.00 0.85 0.00 -0.25 -3.45 0.00 0.00 179.45 176.60 1axx n ASP 3 N -4.46 -3.24 -0.50 4.20 8.00 -1.26 -4.85 116.55 114.43 1axx n ASP 3 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1axx n ASP 3 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1axx n ASP 3 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1axx n VAL 4 N -0.42 0.00 -1.91 2.53 0.24 -1.26 -4.99 118.33 112.52 1axx n VAL 4 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1axx n VAL 4 Cb 0.00 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1axx n LYS 5 N -0.18 2.98 -1.91 7.34 5.02 -1.24 -4.84 118.16 125.33 1axx n LYS 5 Ca 0.00 -2.80 -0.42 0.00 -2.02 0.00 0.00 58.31 53.07 1axx n LYS 5 Cb 0.00 -3.27 -0.03 0.00 -0.02 0.00 0.00 35.03 31.71 1axx n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1axx s TYR 6 N 2.97 2.41 0.17 2.13 1.51 -1.26 -1.64 117.35 123.65 1axx s TYR 6 Ca 0.47 0.30 0.08 0.00 -1.01 0.00 0.00 57.07 56.91 1axx s TYR 6 Cb 0.12 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.95 1axx s TYR 6 CO -0.06 -3.93 -0.16 0.71 -1.11 0.00 0.00 175.55 171.00 1axx s TYR 7 N 2.63 1.70 0.32 2.71 2.02 0.47 -4.84 117.35 122.36 1axx s TYR 7 Ca 0.74 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 1axx s TYR 7 Cb -0.40 -0.83 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1axx s TYR 7 CO 0.32 0.30 0.48 0.95 -1.57 0.00 0.00 175.55 176.04 1axx s THR 8 N -2.41 4.79 0.11 -0.71 -4.23 -1.26 -0.25 115.64 111.67 1axx s THR 8 Ca 0.17 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1axx s THR 8 Cb -0.04 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.00 1axx s THR 8 CO 0.06 -0.36 1.67 -0.07 -0.54 0.00 0.00 174.62 175.38 1axx h LEU 9 N 0.88 -0.49 -0.66 4.79 -0.00 -1.99 -0.17 115.31 117.67 1axx h LEU 9 Ca -0.49 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.50 1axx h LEU 9 Cb 1.24 0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 42.04 1axx h LEU 9 CO 0.59 -0.25 0.38 -0.08 -0.00 0.00 0.00 178.44 179.08 1axx h GLU 10 N -0.33 0.70 0.37 1.13 4.81 -1.96 0.21 114.58 119.52 1axx h GLU 10 Ca 0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1axx h GLU 10 Cb 0.36 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1axx h GLU 10 CO -0.11 0.46 -0.24 1.49 -0.73 0.00 0.00 179.01 179.88 1axx h GLU 11 N 0.72 -0.56 -0.95 1.92 4.81 -1.87 -1.21 114.58 117.44 1axx h GLU 11 Ca 0.29 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.62 1axx h GLU 11 Cb 0.13 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1axx h GLU 11 CO -0.16 -0.38 0.60 0.82 -0.73 0.00 0.00 179.01 179.17 1axx h ILE 12 N -0.59 1.07 0.00 2.32 2.04 -0.57 -0.10 117.51 121.69 1axx h ILE 12 Ca -0.04 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1axx h ILE 12 Cb 0.49 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1axx h ILE 12 CO 0.03 0.20 0.00 1.67 0.00 0.00 0.00 178.15 180.06 1axx n GLN 13 N -4.55 0.13 0.04 2.37 7.27 0.70 -0.62 117.38 122.73 1axx n GLN 13 Ca 0.14 0.19 0.12 0.00 0.07 0.00 0.00 57.00 57.53 1axx n GLN 13 Cb 0.18 -1.50 0.18 0.00 2.41 0.00 0.00 30.24 31.51 1axx n GLN 13 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1axx n LYS 14 N -1.36 0.23 -1.37 3.69 5.02 -0.06 -4.33 118.16 119.99 1axx n LYS 14 Ca 0.05 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 1axx n LYS 14 Cb 0.12 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1axx n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1axx n HIS 15 N -1.96 1.52 -0.41 2.13 8.25 0.21 -3.60 115.22 121.35 1axx n HIS 15 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 1axx n HIS 15 Cb 0.42 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 30.20 1axx n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1axx n LYS 16 N 0.86 -0.06 -0.06 -0.41 -0.00 -1.26 -2.06 118.16 115.16 1axx n LYS 16 Ca 0.46 -0.47 -0.10 0.00 -0.00 0.00 0.00 58.31 58.19 1axx n LYS 16 Cb 0.58 -0.80 -0.03 0.00 -0.00 0.00 0.00 35.03 34.77 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1axx n ASP 17 N -0.07 1.53 -4.38 -5.58 2.03 -1.24 -4.94 116.55 103.91 1axx n ASP 17 Ca 0.00 0.25 -0.31 0.00 0.52 0.00 0.00 54.79 55.25 1axx n ASP 17 Cb 0.16 -0.58 0.21 0.00 -0.72 0.00 0.00 41.12 40.19 1axx n ASP 17 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1axx n SER 18 N -4.02 -2.03 -1.51 1.67 2.88 -1.26 -4.85 113.62 104.50 1axx n SER 18 Ca -0.18 -0.10 -0.08 0.00 -1.33 0.00 0.00 58.87 57.19 1axx n SER 18 Cb 0.47 -1.11 0.03 0.00 -0.75 0.00 0.00 64.21 62.85 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1axx n LYS 19 N -3.34 1.38 -3.63 -1.46 4.81 -1.26 -4.46 118.16 110.19 1axx n LYS 19 Ca 0.02 -0.81 -0.29 0.00 -0.87 0.00 0.00 58.31 56.37 1axx n LYS 19 Cb 0.58 -1.32 -0.12 0.00 0.02 0.00 0.00 35.03 34.19 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1axx s SER 20 N 0.71 3.33 -0.45 3.14 0.15 -1.26 -4.97 113.70 114.35 1axx s SER 20 Ca 0.16 -2.63 -0.28 0.00 0.70 0.00 0.00 55.95 53.89 1axx s SER 20 Cb 0.13 -0.85 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1axx s SER 20 CO 0.01 -0.26 1.60 -0.89 1.20 0.00 0.00 173.24 174.91 1axx s THR 21 N 0.40 3.66 0.25 6.45 2.01 -1.26 -4.64 115.64 122.51 1axx s THR 21 Ca 0.20 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.88 1axx s THR 21 Cb -0.20 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1axx s THR 21 CO -0.03 -0.76 0.30 0.26 -0.69 0.00 0.00 174.62 173.71 1axx s TRP 22 N 6.57 3.28 -0.06 4.92 0.52 -1.22 -2.30 118.94 130.65 1axx s TRP 22 Ca 0.66 -0.08 -0.20 0.00 0.02 0.00 0.00 56.10 56.50 1axx s TRP 22 Cb -0.16 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1axx s TRP 22 CO 0.30 0.43 0.46 0.14 0.02 0.00 0.00 176.95 178.30 1axx s VAL 23 N -2.06 0.03 -0.47 4.03 -7.23 -0.56 0.43 120.40 114.58 1axx s VAL 23 Ca 0.35 -0.24 -0.07 0.00 -1.81 0.00 0.00 61.98 60.21 1axx s VAL 23 Cb -0.08 -0.75 0.12 0.00 0.56 0.00 0.00 36.38 36.23 1axx s VAL 23 CO 0.28 -0.13 0.31 0.27 -0.31 0.00 0.00 175.10 175.52 1axx s ILE 24 N -1.00 3.89 -0.61 -0.62 -4.36 -1.26 -0.95 121.20 116.29 1axx s ILE 24 Ca -0.10 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.19 1axx s ILE 24 Cb -0.03 -3.59 0.16 0.00 1.25 0.00 0.00 42.46 40.24 1axx s ILE 24 CO 0.05 -0.76 0.54 -0.76 0.24 0.00 0.00 174.94 174.25 1axx s LEU 25 N 1.18 6.19 0.00 0.37 1.43 -0.93 -3.25 118.68 123.67 1axx s LEU 25 Ca 0.07 -2.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.03 1axx s LEU 25 Cb -0.24 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1axx s LEU 25 CO -0.02 -0.71 0.00 1.41 0.23 0.00 0.00 176.35 177.26 1axx n HIS 26 N 4.70 -0.44 -1.24 0.29 8.25 -1.26 -3.85 115.22 121.67 1axx n HIS 26 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 1axx n HIS 26 Cb 0.42 0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 1axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1axx n HIS 27 N 0.00 2.30 -3.64 4.41 8.25 -1.26 -4.69 115.22 120.58 1axx n HIS 27 Ca 0.00 -2.88 -0.05 0.00 -0.26 0.00 0.00 57.72 54.53 1axx n HIS 27 Cb 0.00 -2.35 -0.07 0.00 1.12 0.00 0.00 29.99 28.69 1axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1axx s LYS 28 N 2.48 0.23 -0.15 -0.41 1.02 -1.25 -4.69 119.74 116.97 1axx s LYS 28 Ca 0.63 0.29 -0.06 0.00 0.02 0.00 0.00 55.97 56.85 1axx s LYS 28 Cb 0.16 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1axx s LYS 28 CO -0.06 -0.03 0.05 0.08 -0.92 0.00 0.00 175.35 174.48 1axx s VAL 29 N 0.27 4.74 0.02 3.17 1.01 -0.12 -2.20 120.40 127.28 1axx s VAL 29 Ca 0.04 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1axx s VAL 29 Cb -0.05 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1axx s VAL 29 CO -0.12 0.52 -0.24 -0.31 0.00 0.00 0.00 175.10 174.95 1axx s TYR 30 N -0.10 2.13 -0.20 5.22 2.02 -0.12 -1.61 117.35 124.70 1axx s TYR 30 Ca 0.06 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1axx s TYR 30 Cb -0.12 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 1axx s TYR 30 CO 0.01 0.05 -0.00 0.34 -1.57 0.00 0.00 175.55 174.38 1axx s ASP 31 N -0.94 4.83 -0.12 2.29 -1.08 -0.88 -1.49 116.67 119.28 1axx s ASP 31 Ca 0.10 -0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 1axx s ASP 31 Cb -0.09 -1.82 0.28 0.00 -1.46 0.00 0.00 42.92 39.82 1axx s ASP 31 CO 0.01 0.07 1.14 0.18 0.52 0.00 0.00 175.17 177.09 1axx n LEU 32 N 4.21 2.23 -0.10 -1.34 4.77 -0.97 -4.80 117.00 120.99 1axx n LEU 32 Ca -0.17 -3.00 -0.06 0.00 -0.03 0.00 0.00 56.01 52.75 1axx n LEU 32 Cb 0.52 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1axx n LEU 32 CO 0.32 0.70 0.76 0.74 -1.33 0.00 0.00 177.39 178.58 1axx h THR 33 N 0.39 0.55 -0.60 -5.08 2.02 -1.89 0.15 112.91 108.45 1axx h THR 33 Ca -0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1axx h THR 33 Cb 1.02 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 67.88 1axx h THR 33 CO 0.00 0.00 0.21 0.29 0.37 0.00 0.00 175.52 176.39 1axx n LYS 34 N -5.32 3.30 0.00 6.66 5.02 -1.26 -3.84 118.16 122.72 1axx n LYS 34 Ca 0.01 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1axx n LYS 34 Cb 0.23 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1axx n PHE 35 N -0.03 0.00 0.02 2.13 7.35 0.41 -4.73 117.46 122.62 1axx n PHE 35 Ca 0.33 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.01 1axx n PHE 35 Cb 1.19 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 41.01 1axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1axx h LEU 36 N 0.00 -0.09 -0.69 -2.13 3.38 -1.31 0.26 115.31 114.73 1axx h LEU 36 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1axx h LEU 36 Cb 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1axx h LEU 36 CO 0.00 -0.04 0.16 1.05 0.09 0.00 0.00 178.44 179.70 1axx h GLU 37 N -0.07 1.11 -0.81 1.13 9.09 -1.89 -2.80 114.58 120.35 1axx h GLU 37 Ca -0.00 -0.27 0.03 0.00 0.05 0.00 0.00 59.36 59.16 1axx h GLU 37 Cb 0.06 -0.14 -0.04 0.00 -1.65 0.00 0.00 28.75 26.97 1axx h GLU 37 CO -0.00 0.99 0.53 0.93 0.05 0.00 0.00 179.01 181.51 1axx h GLU 38 N 1.04 1.00 -6.15 1.06 4.39 -1.83 -3.44 114.58 110.65 1axx h GLU 38 Ca 0.22 -0.06 -0.67 0.00 0.34 0.00 0.00 59.36 59.18 1axx h GLU 38 Cb 0.38 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1axx h GLU 38 CO 0.00 0.66 1.12 1.58 -1.16 0.00 0.00 179.01 181.22 1axx n HIS 39 N -4.44 2.05 -1.83 4.33 -0.00 0.89 -4.81 115.22 111.42 1axx n HIS 39 Ca 0.10 0.25 -0.32 0.00 0.46 0.00 0.00 57.72 58.20 1axx n HIS 39 Cb 0.08 -2.56 -0.06 0.00 -0.12 0.00 0.00 29.99 27.33 1axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1axx n PRO 40 N 6.68 1.57 0.00 1.57 -0.04 -1.26 -0.82 135.00 142.69 1axx n PRO 40 Ca 0.29 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1axx n PRO 40 Cb 0.22 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.17 1axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1axx n GLY 41 N 5.46 1.06 0.00 0.55 0.00 -1.26 -5.17 105.19 105.84 1axx n GLY 41 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 42 N 0.00 3.30 0.09 -0.02 0.00 -0.00 -4.92 105.19 103.63 1axx n GLY 42 Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1axx h GLU 43 N 0.00 0.04 -0.11 1.61 4.22 -1.78 -3.39 114.58 115.18 1axx h GLU 43 Ca 0.00 -0.07 0.04 0.00 0.08 0.00 0.00 59.36 59.41 1axx h GLU 43 Cb 0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1axx h GLU 43 CO 0.00 1.04 -0.39 1.49 -2.18 0.00 0.00 179.01 178.97 1axx h GLU 44 N -0.89 -0.46 -0.69 1.92 4.22 -1.92 0.17 114.58 116.94 1axx h GLU 44 Ca -0.16 0.03 0.18 0.00 0.08 0.00 0.00 59.36 59.48 1axx h GLU 44 Cb 1.23 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1axx h GLU 44 CO -0.06 -0.31 0.48 -0.24 -2.18 0.00 0.00 179.01 176.70 1axx h VAL 45 N -0.48 0.71 -0.02 0.32 3.04 -1.91 0.44 116.25 118.34 1axx h VAL 45 Ca 0.08 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.64 1axx h VAL 45 Cb 0.61 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1axx h VAL 45 CO -0.37 0.02 -0.30 -0.07 -1.01 0.00 0.00 177.57 175.84 1axx h LEU 46 N 0.14 0.30 -0.29 3.16 3.38 -0.99 -3.29 115.31 117.72 1axx h LEU 46 Ca 0.33 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1axx h LEU 46 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1axx h LEU 46 CO -0.05 0.98 0.00 -1.14 0.09 0.00 0.00 178.44 178.33 1axx n ARG 47 N -4.46 0.10 0.21 1.13 0.63 0.40 -3.46 116.66 111.21 1axx n ARG 47 Ca -0.09 0.30 -0.16 0.00 -0.92 0.00 0.00 57.85 56.97 1axx n ARG 47 Cb 0.51 -1.68 -0.09 0.00 0.45 0.00 0.00 32.46 31.66 1axx n ARG 47 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1axx h GLU 48 N 0.00 -0.79 0.00 -0.14 4.22 -0.35 -3.36 114.58 114.16 1axx h GLU 48 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1axx h GLU 48 Cb 0.36 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1axx h GLU 48 CO 0.00 -0.53 0.00 1.04 -2.18 0.00 0.00 179.01 177.34 1axx n GLN 49 N -5.51 0.00 -1.13 1.92 1.13 -1.26 -5.10 117.38 107.43 1axx n GLN 49 Ca -0.10 0.22 0.12 0.00 -1.94 0.00 0.00 57.00 55.30 1axx n GLN 49 Cb 0.41 -0.69 -0.05 0.00 0.11 0.00 0.00 30.24 30.02 1axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1axx n ALA 50 N -2.16 -3.20 -3.20 -1.58 0.00 -1.22 -4.85 120.51 104.29 1axx n ALA 50 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1axx n ALA 50 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1axx n GLY 51 N -3.53 -0.50 0.00 0.00 0.00 0.17 -4.59 105.19 96.74 1axx n GLY 51 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 52 N -1.32 -0.58 4.22 -0.02 0.00 -1.04 -2.79 105.19 103.66 1axx n GLY 52 Ca -0.06 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1axx n ASP 53 N 0.00 -3.09 -0.02 1.61 8.00 -1.26 -4.39 116.55 117.40 1axx n ASP 53 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1axx n ASP 53 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axx n ALA 54 N -4.38 2.26 0.43 2.24 0.00 -1.26 -4.71 120.51 115.09 1axx n ALA 54 Ca 0.05 -0.75 -0.19 0.00 0.00 0.00 0.00 53.44 52.56 1axx n ALA 54 Cb 0.50 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 1axx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1axx h THR 55 N 0.09 0.18 -0.50 0.00 2.02 -1.86 0.17 112.91 113.01 1axx h THR 55 Ca 0.00 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1axx h THR 55 Cb 0.26 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 1axx h THR 55 CO 0.00 0.00 -0.09 -0.33 0.37 0.00 0.00 175.52 175.47 1axx h GLU 56 N -1.13 0.03 -0.32 6.66 3.07 -1.91 0.25 114.58 121.22 1axx h GLU 56 Ca -0.11 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1axx h GLU 56 Cb 0.84 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1axx h GLU 56 CO 0.18 0.02 0.17 -0.97 -1.40 0.00 0.00 179.01 177.00 1axx h ASN 57 N 0.03 0.41 -0.75 1.42 -0.73 -1.83 0.26 115.58 114.40 1axx h ASN 57 Ca 0.24 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1axx h ASN 57 Cb 0.37 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1axx h ASN 57 CO -0.49 0.41 0.41 0.15 -0.37 0.00 0.00 177.43 177.53 1axx h PHE 58 N 0.39 1.05 0.00 0.67 3.57 0.46 -2.70 116.94 120.38 1axx h PHE 58 Ca 0.11 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 1axx h PHE 58 Cb 0.09 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1axx h PHE 58 CO -0.02 0.74 -0.89 0.93 -2.23 0.00 0.00 178.31 176.84 1axx h GLU 59 N 1.07 0.00 -0.33 1.11 4.39 -0.29 -2.50 114.58 118.04 1axx h GLU 59 Ca 0.27 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.04 1axx h GLU 59 Cb 0.05 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.62 1axx h GLU 59 CO -0.04 0.89 -0.20 0.22 -1.16 0.00 0.00 179.01 178.71 1axx h ASP 60 N 0.00 -0.68 1.24 1.42 1.82 -0.14 0.18 116.42 120.26 1axx h ASP 60 Ca -0.01 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1axx h ASP 60 Cb 1.63 0.35 0.00 0.00 0.68 0.00 0.00 39.33 41.99 1axx h ASP 60 CO 0.12 -0.24 0.00 -0.37 -1.61 0.00 0.00 179.24 177.14 1axx h VAL 61 N -0.16 0.00 0.00 2.25 -1.51 -1.60 -3.47 116.25 111.75 1axx h VAL 61 Ca 0.17 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1axx h VAL 61 Cb 0.42 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1axx h VAL 61 CO -0.43 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.52 1axx n GLY 62 N 0.49 1.40 0.94 5.19 0.00 0.62 -4.86 105.19 108.96 1axx n GLY 62 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1axx n HIS 63 N 0.00 -2.53 -1.54 1.61 8.25 -1.26 -4.74 115.22 115.00 1axx n HIS 63 Ca 0.00 1.39 -0.30 0.00 -0.26 0.00 0.00 57.72 58.56 1axx n HIS 63 Cb 0.00 -2.31 0.10 0.00 1.12 0.00 0.00 29.99 28.91 1axx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1axx s SER 64 N -5.51 4.19 0.28 0.41 0.01 -1.26 -4.97 113.70 106.84 1axx s SER 64 Ca 0.00 1.21 -0.02 0.00 1.31 0.00 0.00 55.95 58.44 1axx s SER 64 Cb 0.00 -1.89 0.41 0.00 0.21 0.00 0.00 66.02 64.75 1axx s SER 64 CO 0.00 -2.15 1.92 0.74 0.41 0.00 0.00 173.24 174.16 1axx h THR 65 N -1.22 1.16 -0.72 1.44 2.02 -2.01 -2.88 112.91 110.70 1axx h THR 65 Ca -0.48 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 66.41 1axx h THR 65 Cb 1.29 -0.12 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 1axx h THR 65 CO 0.60 0.21 -0.41 0.44 0.37 0.00 0.00 175.52 176.73 1axx h ASP 66 N 1.17 -1.45 -0.87 4.18 5.19 -2.00 0.28 116.42 122.93 1axx h ASP 66 Ca 0.37 0.26 0.17 0.00 -0.62 0.00 0.00 57.03 57.22 1axx h ASP 66 Cb 0.02 0.69 -0.07 0.00 0.18 0.00 0.00 39.33 40.16 1axx h ASP 66 CO -0.11 -0.31 0.57 0.00 -3.12 0.00 0.00 179.24 176.27 1axx h ALA 67 N 0.90 2.05 -0.05 3.45 0.00 -1.89 0.23 119.26 123.95 1axx h ALA 67 Ca 0.23 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1axx h ALA 67 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1axx h ALA 67 CO -0.78 -0.31 -0.37 0.00 0.00 0.00 0.00 179.25 177.78 1axx h ARG 68 N 0.51 0.11 0.21 0.00 3.08 -0.49 0.29 114.38 118.08 1axx h ARG 68 Ca 0.45 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 60.13 1axx h ARG 68 Cb 0.96 -0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.05 1axx h ARG 68 CO -0.18 0.47 -1.40 0.93 -1.07 0.00 0.00 179.97 178.71 1axx h GLU 69 N 0.09 0.58 -0.95 0.04 4.39 -0.50 -3.30 114.58 114.94 1axx h GLU 69 Ca 0.01 -0.90 0.01 0.00 0.34 0.00 0.00 59.36 58.82 1axx h GLU 69 Cb 0.70 0.32 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 1axx h GLU 69 CO 0.05 1.42 0.62 1.25 -1.16 0.00 0.00 179.01 181.20 1axx h LEU 70 N 0.20 1.10 -0.73 1.33 5.85 -0.38 -1.97 115.31 120.71 1axx h LEU 70 Ca -0.23 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.59 1axx h LEU 70 Cb 2.08 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.74 1axx h LEU 70 CO 0.26 0.81 0.26 0.77 -0.34 0.00 0.00 178.44 180.20 1axx h SER 71 N 1.29 0.20 -0.79 1.25 4.64 -0.52 -0.33 113.55 119.29 1axx h SER 71 Ca 0.35 0.11 0.15 0.00 -0.47 0.00 0.00 61.79 61.93 1axx h SER 71 Cb -0.13 0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 61.97 1axx h SER 71 CO -0.07 0.07 0.33 0.50 -0.87 0.00 0.00 176.83 176.79 1axx h LYS 72 N 0.39 0.45 0.00 4.77 3.64 -1.43 0.48 116.57 124.87 1axx h LYS 72 Ca 0.40 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1axx h LYS 72 Cb 0.61 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1axx h LYS 72 CO -0.42 0.30 -0.05 1.15 -2.27 0.00 0.00 179.45 178.16 1axx h THR 73 N 0.46 0.66 -0.31 1.00 2.02 -1.05 -1.79 112.91 113.90 1axx h THR 73 Ca 0.44 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1axx h THR 73 Cb 0.69 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1axx h THR 73 CO -0.42 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.30 1axx n TYR 74 N -3.93 0.40 -2.32 3.16 4.01 0.15 -4.99 117.16 113.64 1axx n TYR 74 Ca -0.03 -0.20 -0.40 0.00 -0.16 0.00 0.00 57.90 57.12 1axx n TYR 74 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1axx s ILE 75 N -1.60 3.17 -0.06 -0.72 2.07 -0.18 -2.07 121.20 121.81 1axx s ILE 75 Ca 0.37 1.11 0.01 0.00 -1.41 0.00 0.00 60.65 60.73 1axx s ILE 75 Cb 0.21 -3.68 -0.05 0.00 0.13 0.00 0.00 42.46 39.08 1axx s ILE 75 CO 0.30 0.21 -0.05 2.30 -1.91 0.00 0.00 174.94 175.80 1axx n ILE 76 N 0.70 0.38 -2.44 2.00 -5.35 -0.63 -4.85 119.36 109.16 1axx n ILE 76 Ca 0.01 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1axx n ILE 76 Cb 0.45 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 1axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1axx n GLY 77 N 3.12 1.38 3.42 3.28 0.00 -1.07 -3.73 105.19 111.59 1axx n GLY 77 Ca -0.11 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1axx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1axx s GLU 78 N 1.30 1.70 -0.12 1.61 2.02 -0.65 -0.95 118.70 123.61 1axx s GLU 78 Ca 0.00 -1.98 -0.21 0.00 0.02 0.00 0.00 54.97 52.79 1axx s GLU 78 Cb 0.00 -0.47 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 1axx s GLU 78 CO 0.00 -0.38 0.63 -1.17 0.02 0.00 0.00 175.26 174.36 1axx s LEU 79 N -3.47 4.25 0.02 1.80 2.96 -1.26 -0.39 118.68 122.58 1axx s LEU 79 Ca 0.32 0.99 -0.35 0.00 -0.22 0.00 0.00 54.13 54.87 1axx s LEU 79 Cb 0.05 -2.94 -0.18 0.00 0.50 0.00 0.00 46.19 43.63 1axx s LEU 79 CO 0.16 -0.15 0.91 1.57 -1.32 0.00 0.00 176.35 177.52 1axx n HIS 80 N 4.20 0.48 0.26 5.38 -0.00 0.66 -4.45 115.22 121.75 1axx n HIS 80 Ca -0.02 0.94 0.09 0.00 -0.00 0.00 0.00 57.72 58.73 1axx n HIS 80 Cb 0.51 -1.86 0.66 0.00 -0.00 0.00 0.00 29.99 29.30 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1axx h PRO 81 N 2.53 0.00 -0.97 1.57 0.13 -1.94 0.15 132.00 133.46 1axx h PRO 81 Ca -0.44 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1axx h PRO 81 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1axx h PRO 81 CO 0.58 0.03 0.61 0.22 -0.23 0.00 0.00 178.00 179.21 1axx h ASP 82 N 0.00 0.65 0.07 1.44 3.58 -1.95 0.96 116.42 121.17 1axx h ASP 82 Ca -0.00 0.07 -0.34 0.00 0.42 0.00 0.00 57.03 57.18 1axx h ASP 82 Cb 0.06 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1axx h ASP 82 CO 0.00 0.25 -1.91 -0.67 -2.88 0.00 0.00 179.24 174.03 1axx n ASP 83 N -4.65 2.03 -0.31 2.28 2.03 -0.14 -4.07 116.55 113.73 1axx n ASP 83 Ca 0.21 0.23 0.08 0.00 0.52 0.00 0.00 54.79 55.83 1axx n ASP 83 Cb 0.60 -0.83 0.29 0.00 -0.72 0.00 0.00 41.12 40.47 1axx n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1axx h ARG 84 N -0.30 0.86 -0.94 -0.67 1.12 -0.74 0.32 114.38 114.04 1axx h ARG 84 Ca -0.45 -0.05 -0.24 0.00 -1.11 0.00 0.00 59.98 58.14 1axx h ARG 84 Cb 1.80 -0.19 -0.14 0.00 -0.01 0.00 0.00 29.97 31.42 1axx h ARG 84 CO -0.05 0.57 0.30 0.43 -3.11 0.00 0.00 179.97 178.11 1axx n SER 85 N -4.56 3.52 -1.26 -3.80 7.64 0.30 -4.10 113.62 111.37 1axx n SER 85 Ca 0.17 -2.85 -0.05 0.00 1.01 0.00 0.00 58.87 57.15 1axx n SER 85 Cb 0.35 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 1axx n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1axx n LYS 86 N -0.28 0.15 -2.12 1.43 4.81 0.11 -5.01 118.16 117.25 1axx n LYS 86 Ca 0.31 -1.23 -0.43 0.00 -0.87 0.00 0.00 58.31 56.09 1axx n LYS 86 Cb 1.10 0.37 -0.03 0.00 0.02 0.00 0.00 35.03 36.50 1axx n LYS 86 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1axx s ILE 87 N -0.06 3.70 0.42 3.15 -1.09 -0.85 -4.94 121.20 121.53 1axx s ILE 87 Ca 0.07 0.79 -0.26 0.00 -2.23 0.00 0.00 60.65 59.02 1axx s ILE 87 Cb 0.11 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1axx s ILE 87 CO -0.04 -0.29 1.42 0.00 -1.23 0.00 0.00 174.94 174.80 1axx s ALA 88 N 5.15 3.34 0.30 9.38 0.00 -1.26 -4.95 121.76 133.72 1axx s ALA 88 Ca 0.71 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.82 1axx s ALA 88 Cb -0.25 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 1axx s ALA 88 CO 0.29 -1.07 1.48 0.21 0.00 0.00 0.00 175.76 176.66 1axx s LYS 89 N -2.30 4.20 0.79 0.00 2.20 -1.26 -4.97 119.74 118.40 1axx s LYS 89 Ca 0.58 2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 58.50 1axx s LYS 89 Cb -0.43 -3.05 0.07 0.00 -1.51 0.00 0.00 37.83 32.91 1axx s LYS 89 CO 0.57 -0.47 1.11 -1.25 -0.36 0.00 0.00 175.35 174.95 1axx s PRO 90 N -1.01 2.05 0.07 4.03 0.04 -1.26 -5.06 135.00 133.84 1axx s PRO 90 Ca 0.57 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 1axx s PRO 90 Cb -0.44 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1axx s PRO 90 CO 0.51 -1.82 0.17 0.45 0.04 0.00 0.00 177.00 176.34 1axx s SER 91 N -3.02 0.12 0.35 6.66 0.15 -1.26 -5.12 113.70 111.57 1axx s SER 91 Ca 0.64 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1axx s SER 91 Cb -0.20 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1axx s SER 91 CO 0.54 -0.65 0.00 1.21 1.20 0.00 0.00 173.24 175.53 1axx n GLU 92 N 0.24 -1.98 -3.57 5.44 0.00 -1.26 -5.10 120.64 114.40 1axx n GLU 92 Ca -0.16 1.60 -0.10 0.00 0.00 0.00 0.00 57.16 58.50 1axx n GLU 92 Cb 0.61 -2.20 -0.05 0.00 0.00 0.00 0.00 31.44 29.81 1axx n GLU 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1axx s THR 93 N -4.02 0.00 -1.92 6.31 -1.32 -1.26 -5.28 115.64 108.14 1axx s THR 93 Ca 0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 1axx s THR 93 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1axx s THR 93 CO 0.00 0.00 0.99 -0.11 -2.21 0.00 0.00 174.62 173.29