#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx n LYS 2 N 0.00 0.00 -1.64 -1.24 5.02 -1.26 -5.08 118.16 113.96 1axx n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1axx n LYS 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1axx n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1axx n ASP 3 N 0.00 1.36 0.00 4.39 9.92 -1.26 -4.01 116.55 126.95 1axx n ASP 3 Ca 0.00 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1axx n ASP 3 Cb 0.00 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.07 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1axx n VAL 4 N -1.05 0.00 0.00 2.53 0.31 -1.26 -1.68 118.33 117.17 1axx n VAL 4 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1axx n VAL 4 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1axx n LYS 5 N 0.00 0.00 -1.88 5.55 5.02 -1.26 -4.92 118.16 120.68 1axx n LYS 5 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1axx n LYS 5 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 0.00 2.29 0.04 2.13 2.02 -0.68 -1.73 117.35 121.42 1axx s TYR 6 Ca 0.00 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.98 1axx s TYR 6 Cb 0.00 -4.02 -0.02 0.00 -0.40 0.00 0.00 41.96 37.52 1axx s TYR 6 CO 0.00 -4.14 -0.19 0.71 -1.57 0.00 0.00 175.55 170.36 1axx s TYR 7 N 2.83 1.68 0.34 2.71 2.02 -0.01 -4.88 117.35 122.03 1axx s TYR 7 Ca 0.76 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1axx s TYR 7 Cb -0.41 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1axx s TYR 7 CO 0.33 0.07 0.53 0.95 -1.57 0.00 0.00 175.55 175.87 1axx s THR 8 N -0.78 5.09 0.11 -0.71 -4.23 -1.26 -0.31 115.64 113.54 1axx s THR 8 Ca 0.06 -0.52 -0.35 0.00 -1.18 0.00 0.00 61.69 59.70 1axx s THR 8 Cb -0.08 -3.85 -0.15 0.00 1.34 0.00 0.00 72.50 69.76 1axx s THR 8 CO 0.01 -0.53 1.56 -0.07 -0.54 0.00 0.00 174.62 175.05 1axx h LEU 9 N 0.79 -1.61 -0.31 4.79 -0.00 -1.93 0.23 115.31 117.26 1axx h LEU 9 Ca -0.50 0.17 0.07 0.00 -0.00 0.00 0.00 57.88 57.62 1axx h LEU 9 Cb 1.22 0.60 -0.07 0.00 -0.00 0.00 0.00 40.66 42.41 1axx h LEU 9 CO 0.61 -0.56 -0.19 -0.33 -0.00 0.00 0.00 178.44 177.98 1axx h GLU 10 N -0.74 -0.14 -0.23 1.13 5.08 -1.96 0.33 114.58 118.05 1axx h GLU 10 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1axx h GLU 10 Cb 0.76 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 1axx h GLU 10 CO -0.30 -0.09 -0.32 1.49 -1.00 0.00 0.00 179.01 178.78 1axx h GLU 11 N -0.15 -0.32 -0.77 2.33 4.81 -1.80 -0.19 114.58 118.49 1axx h GLU 11 Ca 0.16 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1axx h GLU 11 Cb 0.40 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1axx h GLU 11 CO -0.41 -0.22 0.46 0.82 -0.73 0.00 0.00 179.01 178.94 1axx h ILE 12 N -0.34 1.22 -0.48 2.32 2.04 -0.36 -2.00 117.51 119.91 1axx h ILE 12 Ca 0.12 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1axx h ILE 12 Cb 0.54 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1axx h ILE 12 CO -0.42 0.23 0.32 -0.61 0.00 0.00 0.00 178.15 177.67 1axx h GLN 13 N 1.06 0.40 0.00 2.37 4.15 0.14 0.16 115.11 123.39 1axx h GLN 13 Ca 0.28 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.56 1axx h GLN 13 Cb -0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1axx h GLN 13 CO -0.05 0.26 -0.55 0.87 -1.93 0.00 0.00 178.83 177.43 1axx h LYS 14 N 0.41 0.00 -2.82 1.69 1.57 -0.49 -3.23 116.57 113.71 1axx h LYS 14 Ca 0.21 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.32 1axx h LYS 14 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1axx h LYS 14 CO -0.05 0.55 3.16 0.72 -0.57 0.00 0.00 179.45 183.26 1axx n HIS 15 N -3.77 2.36 0.03 -1.35 8.25 0.55 -3.86 115.22 117.43 1axx n HIS 15 Ca -0.01 -2.92 0.00 0.00 -0.26 0.00 0.00 57.72 54.53 1axx n HIS 15 Cb 0.58 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.46 1axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1axx n LYS 16 N 2.89 0.00 -0.74 -0.41 4.81 -1.21 -0.87 118.16 122.63 1axx n LYS 16 Ca 0.72 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.83 1axx n LYS 16 Cb 0.27 -0.50 0.15 0.00 0.02 0.00 0.00 35.03 34.97 1axx n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1axx n ASP 17 N -3.29 -2.47 -4.28 3.14 9.92 -1.25 -4.50 116.55 113.82 1axx n ASP 17 Ca 0.00 0.02 -0.21 0.00 -0.53 0.00 0.00 54.79 54.06 1axx n ASP 17 Cb 0.21 -0.99 -0.12 0.00 -0.64 0.00 0.00 41.12 39.59 1axx n ASP 17 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1axx n SER 18 N -1.07 1.11 0.12 -2.24 7.64 -1.26 -3.08 113.62 114.84 1axx n SER 18 Ca 0.02 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1axx n SER 18 Cb 0.61 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1axx n LYS 19 N 7.94 0.00 -3.66 1.43 3.00 -1.26 -5.11 118.16 120.49 1axx n LYS 19 Ca 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.64 1axx n LYS 19 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.40 1axx n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1axx s SER 20 N -1.49 -0.45 -0.61 3.14 0.01 -1.18 -5.04 113.70 108.08 1axx s SER 20 Ca 0.00 1.09 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 1axx s SER 20 Cb 0.00 1.40 0.08 0.00 0.21 0.00 0.00 66.02 67.71 1axx s SER 20 CO 0.00 -0.22 0.85 -0.89 0.41 0.00 0.00 173.24 173.38 1axx s THR 21 N 2.42 4.53 0.05 1.44 2.01 -1.26 -3.34 115.64 121.50 1axx s THR 21 Ca -0.04 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1axx s THR 21 Cb -0.11 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 1axx s THR 21 CO -0.14 -1.26 0.06 0.26 -0.69 0.00 0.00 174.62 172.85 1axx s TRP 22 N 3.50 3.17 -0.03 4.92 0.52 -0.05 -0.92 118.94 130.04 1axx s TRP 22 Ca 0.19 0.09 -0.03 0.00 0.02 0.00 0.00 56.10 56.37 1axx s TRP 22 Cb -0.19 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1axx s TRP 22 CO 0.10 0.51 0.09 0.14 0.02 0.00 0.00 176.95 177.81 1axx s VAL 23 N -1.30 0.01 -0.31 4.03 -7.23 -0.55 -0.85 120.40 114.20 1axx s VAL 23 Ca 0.26 -0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 60.17 1axx s VAL 23 Cb -0.12 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 1axx s VAL 23 CO 0.18 -0.06 0.36 0.27 -0.31 0.00 0.00 175.10 175.53 1axx s ILE 24 N -0.17 5.18 -0.19 -0.62 -5.25 -1.26 -0.60 121.20 118.28 1axx s ILE 24 Ca -0.02 0.25 0.01 0.00 -0.99 0.00 0.00 60.65 59.90 1axx s ILE 24 Cb -0.02 -3.76 0.03 0.00 2.95 0.00 0.00 42.46 41.67 1axx s ILE 24 CO 0.00 0.02 -0.17 -0.76 -1.79 0.00 0.00 174.94 172.25 1axx s LEU 25 N 2.03 2.35 -1.30 0.37 1.43 -0.06 -2.14 118.68 121.36 1axx s LEU 25 Ca 0.13 -0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1axx s LEU 25 Cb -0.16 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1axx s LEU 25 CO 0.11 -0.06 0.71 1.41 0.23 0.00 0.00 176.35 178.75 1axx n HIS 26 N 4.61 -1.92 -1.08 0.29 8.25 -1.26 -1.64 115.22 122.46 1axx n HIS 26 Ca -0.19 0.84 -0.03 0.00 -0.26 0.00 0.00 57.72 58.08 1axx n HIS 26 Cb 0.48 -4.40 -0.01 0.00 1.12 0.00 0.00 29.99 27.18 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 -4.25 0.00 -5.26 4.41 8.25 -1.26 -4.99 115.22 112.11 1axx n HIS 27 Ca -0.30 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.85 1axx n HIS 27 Cb 0.68 -1.79 -0.16 0.00 1.12 0.00 0.00 29.99 29.84 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 -1.88 2.37 -0.21 -0.41 1.02 -0.65 -0.97 119.74 119.01 1axx s LYS 28 Ca 0.00 -0.90 -0.20 0.00 0.02 0.00 0.00 55.97 54.88 1axx s LYS 28 Cb 0.00 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1axx s LYS 28 CO 0.00 0.44 0.62 0.08 -0.92 0.00 0.00 175.35 175.56 1axx s VAL 29 N -0.31 5.02 -0.13 3.17 1.01 0.32 -0.88 120.40 128.60 1axx s VAL 29 Ca 0.01 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1axx s VAL 29 Cb -0.12 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1axx s VAL 29 CO 0.02 0.10 -0.17 -0.31 0.00 0.00 0.00 175.10 174.74 1axx s TYR 30 N 2.00 2.74 -0.16 5.22 2.02 0.23 -1.91 117.35 127.49 1axx s TYR 30 Ca 0.28 -0.91 -0.21 0.00 -0.37 0.00 0.00 57.07 55.86 1axx s TYR 30 Cb -0.16 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1axx s TYR 30 CO 0.10 -0.37 0.61 0.34 -1.57 0.00 0.00 175.55 174.66 1axx s ASP 31 N 0.54 6.73 -0.15 2.29 -1.08 -1.12 -1.49 116.67 122.40 1axx s ASP 31 Ca -0.11 0.89 0.15 0.00 -0.52 0.00 0.00 52.55 52.96 1axx s ASP 31 Cb -0.16 -2.35 0.34 0.00 -1.46 0.00 0.00 42.92 39.29 1axx s ASP 31 CO 0.04 -0.19 1.18 0.18 0.52 0.00 0.00 175.17 176.90 1axx n LEU 32 N 4.55 2.34 -0.03 -1.34 4.77 -0.10 -4.83 117.00 122.36 1axx n LEU 32 Ca -0.03 -3.31 -0.11 0.00 -0.03 0.00 0.00 56.01 52.54 1axx n LEU 32 Cb 0.50 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1axx n LEU 32 CO 0.44 1.00 0.89 0.74 -1.33 0.00 0.00 177.39 179.13 1axx h THR 33 N 1.13 1.10 -0.38 -5.08 2.02 -1.94 0.13 112.91 109.89 1axx h THR 33 Ca -0.01 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 1axx h THR 33 Cb 1.06 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1axx h THR 33 CO 0.00 0.09 0.14 0.29 0.37 0.00 0.00 175.52 176.42 1axx n LYS 34 N -4.93 2.36 0.00 6.66 5.02 -1.26 -3.49 118.16 122.52 1axx n LYS 34 Ca -0.04 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1axx n LYS 34 Cb 0.07 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.04 0.00 0.10 2.13 7.35 -0.04 -4.81 117.46 122.24 1axx n PHE 35 Ca 0.21 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 1axx n PHE 35 Cb 0.88 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.64 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 -1.10 -0.26 -2.13 3.38 -1.41 0.18 115.31 113.98 1axx h LEU 36 Ca 0.00 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1axx h LEU 36 Cb 0.01 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1axx h LEU 36 CO 0.00 -0.41 -0.77 -0.08 0.09 0.00 0.00 178.44 177.28 1axx h GLU 37 N -0.56 0.63 -0.60 1.13 4.81 -1.90 -2.65 114.58 115.43 1axx h GLU 37 Ca -0.01 -0.52 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1axx h GLU 37 Cb 0.55 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.97 1axx h GLU 37 CO -0.17 1.14 0.21 0.93 -0.73 0.00 0.00 179.01 180.39 1axx h GLU 38 N 0.43 0.38 -6.16 1.92 4.39 -1.83 -3.43 114.58 110.28 1axx h GLU 38 Ca -0.05 -0.02 -0.69 0.00 0.34 0.00 0.00 59.36 58.94 1axx h GLU 38 Cb 1.37 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1axx h GLU 38 CO 0.15 0.25 1.05 1.58 -1.16 0.00 0.00 179.01 180.88 1axx n HIS 39 N -5.01 2.07 0.27 4.33 -0.00 0.63 -4.84 115.22 112.68 1axx n HIS 39 Ca 0.08 0.32 0.15 0.00 0.46 0.00 0.00 57.72 58.73 1axx n HIS 39 Cb 0.27 -2.54 0.78 0.00 -0.12 0.00 0.00 29.99 28.38 1axx n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1axx h PRO 40 N 8.71 0.00 0.00 1.57 0.13 -1.90 0.16 132.00 140.67 1axx h PRO 40 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1axx h PRO 40 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1axx h PRO 40 CO 0.97 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 1axx n GLY 41 N -0.62 -0.96 0.00 1.56 0.00 -1.26 -5.01 105.19 98.90 1axx n GLY 41 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.77 0.62 0.23 -0.02 0.00 0.56 -4.57 105.19 102.77 1axx n GLY 42 Ca 0.17 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 0.79 0.75 1.61 4.81 -1.71 -3.33 114.58 117.50 1axx h GLU 43 Ca 0.00 -0.61 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 1axx h GLU 43 Cb 0.00 0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1axx h GLU 43 CO 0.00 1.22 -0.37 1.49 -0.73 0.00 0.00 179.01 180.62 1axx h GLU 44 N 0.55 -0.99 -0.95 1.92 4.81 -1.87 0.98 114.58 119.03 1axx h GLU 44 Ca -0.04 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1axx h GLU 44 Cb 1.35 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.87 1axx h GLU 44 CO 0.15 -0.66 0.60 -0.24 -0.73 0.00 0.00 179.01 178.14 1axx h VAL 45 N -1.02 0.81 0.59 0.32 3.04 -1.81 0.26 116.25 118.44 1axx h VAL 45 Ca -0.10 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1axx h VAL 45 Cb 0.79 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 1axx h VAL 45 CO 0.16 0.14 -0.47 -0.07 -1.01 0.00 0.00 177.57 176.32 1axx h LEU 46 N 0.77 -1.24 -1.48 3.16 3.38 -1.51 -2.96 115.31 115.43 1axx h LEU 46 Ca 0.50 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.50 1axx h LEU 46 Cb 0.75 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1axx h LEU 46 CO -0.26 -0.66 -0.24 0.03 0.09 0.00 0.00 178.44 177.40 1axx h ARG 47 N -1.02 0.00 0.93 1.13 3.08 0.12 -0.16 114.38 118.47 1axx h ARG 47 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1axx h ARG 47 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.91 1axx h ARG 47 CO 0.01 0.24 -0.45 0.93 -1.07 0.00 0.00 179.97 179.63 1axx h GLU 48 N 0.00 -1.21 0.00 0.04 4.39 -0.61 -3.32 114.58 113.86 1axx h GLU 48 Ca -0.00 0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1axx h GLU 48 Cb 0.56 0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1axx h GLU 48 CO 0.03 -0.81 -0.55 1.96 -1.16 0.00 0.00 179.01 178.49 1axx h GLN 49 N -1.31 0.00 -6.04 2.33 1.08 -1.38 -3.46 115.11 106.33 1axx h GLN 49 Ca -0.13 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.47 1axx h GLN 49 Cb 0.96 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 28.57 1axx h GLN 49 CO 0.21 0.01 -1.10 0.00 -0.95 0.00 0.00 178.83 177.00 1axx n ALA 50 N -2.15 -2.94 0.00 3.87 0.00 -0.08 -4.05 120.51 115.16 1axx n ALA 50 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1axx n ALA 50 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 2.45 0.99 0.52 0.00 0.00 -0.03 -4.78 105.19 104.34 1axx n GLY 51 Ca 0.08 0.00 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 -0.62 0.65 2.68 -0.02 0.00 -1.23 -2.21 105.19 104.45 1axx n GLY 52 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.52 -1.70 -0.09 1.61 8.00 -1.26 -4.61 116.55 117.98 1axx n ASP 53 Ca 0.00 -2.25 0.11 0.00 0.71 0.00 0.00 54.79 53.36 1axx n ASP 53 Cb 0.22 1.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.39 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 -0.60 4.03 -0.24 2.24 0.00 -1.15 -4.25 120.51 120.54 1axx n ALA 54 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.88 1axx n ALA 54 Cb 0.80 -0.93 0.13 0.00 0.00 0.00 0.00 19.45 19.46 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 0.45 0.39 -0.54 0.00 2.02 -1.82 -0.03 112.91 113.38 1axx h THR 55 Ca 0.00 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1axx h THR 55 Cb 0.53 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1axx h THR 55 CO 0.00 0.02 -0.45 1.05 0.37 0.00 0.00 175.52 176.51 1axx h GLU 56 N 0.11 -0.25 -0.11 6.66 4.11 -1.89 0.75 114.58 123.95 1axx h GLU 56 Ca 0.38 0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.63 1axx h GLU 56 Cb 0.64 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1axx h GLU 56 CO -0.62 -0.17 -0.73 -0.97 0.07 0.00 0.00 179.01 176.59 1axx h ASN 57 N -0.26 0.66 -0.39 3.06 -0.00 -1.57 0.13 115.58 117.20 1axx h ASN 57 Ca 0.16 -0.42 -0.02 0.00 -0.00 0.00 0.00 56.30 56.02 1axx h ASN 57 Cb 0.57 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.68 1axx h ASN 57 CO -0.66 1.18 0.18 0.15 -0.00 0.00 0.00 177.43 178.28 1axx h PHE 58 N 0.38 0.56 0.04 0.67 3.04 -0.63 -2.91 116.94 118.09 1axx h PHE 58 Ca -0.03 -0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.66 1axx h PHE 58 Cb 1.32 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.66 1axx h PHE 58 CO 0.06 0.48 -1.00 0.93 -2.02 0.00 0.00 178.31 176.75 1axx h GLU 59 N 0.48 0.26 -0.59 1.11 4.39 -0.74 -0.41 114.58 119.09 1axx h GLU 59 Ca 0.13 -0.33 0.11 0.00 0.34 0.00 0.00 59.36 59.61 1axx h GLU 59 Cb 0.13 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 28.77 1axx h GLU 59 CO -0.02 1.07 -0.30 0.22 -1.16 0.00 0.00 179.01 178.82 1axx h ASP 60 N 0.12 -1.05 0.16 1.42 3.58 -0.74 -1.45 116.42 118.47 1axx h ASP 60 Ca -0.08 0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1axx h ASP 60 Cb 1.67 0.54 0.00 0.00 1.72 0.00 0.00 39.33 43.26 1axx h ASP 60 CO 0.16 -0.29 -0.08 0.58 -2.88 0.00 0.00 179.24 176.73 1axx h VAL 61 N -0.14 0.93 -2.95 2.25 2.07 -1.49 -3.49 116.25 113.44 1axx h VAL 61 Ca 0.25 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1axx h VAL 61 Cb 0.54 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1axx h VAL 61 CO -0.67 0.10 0.00 0.61 0.02 0.00 0.00 177.57 177.63 1axx n GLY 62 N -0.60 -0.28 3.65 2.17 0.00 -0.17 -5.03 105.19 104.94 1axx n GLY 62 Ca -0.09 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.98 0.70 -0.65 1.61 8.25 -1.24 -5.02 115.22 117.89 1axx n HIS 63 Ca 0.00 0.39 -0.28 0.00 -0.26 0.00 0.00 57.72 57.57 1axx n HIS 63 Cb 0.49 -1.99 0.25 0.00 1.12 0.00 0.00 29.99 29.86 1axx n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1axx s SER 64 N -2.57 1.05 0.30 0.41 1.04 -1.26 -4.92 113.70 107.75 1axx s SER 64 Ca 0.67 1.39 0.09 0.00 0.48 0.00 0.00 55.95 58.58 1axx s SER 64 Cb -0.23 -2.16 0.47 0.00 0.10 0.00 0.00 66.02 64.20 1axx s SER 64 CO 0.58 -4.14 1.69 0.74 0.98 0.00 0.00 173.24 173.10 1axx h THR 65 N -2.58 1.35 0.03 2.02 2.02 -1.99 -2.91 112.91 110.84 1axx h THR 65 Ca -0.61 -1.69 0.03 0.00 0.77 0.00 0.00 66.41 64.91 1axx h THR 65 Cb 1.34 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 69.57 1axx h THR 65 CO 0.52 0.49 -0.22 0.44 0.37 0.00 0.00 175.52 177.11 1axx h ASP 66 N 0.08 -0.65 -0.89 4.18 5.19 -2.01 -1.67 116.42 120.65 1axx h ASP 66 Ca 0.00 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 56.59 1axx h ASP 66 Cb 0.89 0.27 -0.07 0.00 0.18 0.00 0.00 39.33 40.60 1axx h ASP 66 CO 0.07 -0.30 0.54 0.00 -3.12 0.00 0.00 179.24 176.43 1axx h ALA 67 N 0.48 1.28 -0.34 3.45 0.00 -1.91 -1.77 119.26 120.44 1axx h ALA 67 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1axx h ALA 67 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1axx h ALA 67 CO -0.19 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.40 1axx h ARG 68 N 0.92 0.28 -0.31 0.00 3.08 -1.13 0.14 114.38 117.36 1axx h ARG 68 Ca 0.42 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.30 1axx h ARG 68 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1axx h ARG 68 CO -0.23 0.19 -0.40 1.05 -1.07 0.00 0.00 179.97 179.51 1axx h GLU 69 N 0.29 0.75 -0.43 0.04 -0.00 -1.04 -2.99 114.58 111.20 1axx h GLU 69 Ca 0.15 -0.39 -0.01 0.00 -0.00 0.00 0.00 59.36 59.11 1axx h GLU 69 Cb 0.10 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.85 1axx h GLU 69 CO -0.14 1.02 0.23 1.25 -0.00 0.00 0.00 179.01 181.37 1axx h LEU 70 N 0.62 0.52 -0.48 3.06 7.12 -0.89 -0.62 115.31 124.64 1axx h LEU 70 Ca 0.05 -0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.12 1axx h LEU 70 Cb 0.95 -0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 40.87 1axx h LEU 70 CO 0.09 0.42 -0.04 0.77 -0.13 0.00 0.00 178.44 179.55 1axx h SER 71 N 0.60 -0.29 -0.73 1.25 4.64 -0.57 -1.92 113.55 116.53 1axx h SER 71 Ca 0.15 0.13 0.09 0.00 -0.47 0.00 0.00 61.79 61.69 1axx h SER 71 Cb 0.02 0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 1axx h SER 71 CO -0.03 -0.10 0.39 0.11 -0.87 0.00 0.00 176.83 176.33 1axx h LYS 72 N 0.07 0.66 -0.20 4.77 1.57 -1.15 0.32 116.57 122.60 1axx h LYS 72 Ca 0.24 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1axx h LYS 72 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1axx h LYS 72 CO -0.44 0.43 0.29 1.15 -0.57 0.00 0.00 179.45 180.31 1axx h THR 73 N 0.68 0.32 -0.35 -0.16 2.02 -1.21 -0.79 112.91 113.41 1axx h THR 73 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1axx h THR 73 Cb 0.32 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1axx h THR 73 CO -0.24 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.43 1axx n TYR 74 N -3.55 0.45 -1.87 3.16 4.01 0.11 -4.97 117.16 114.50 1axx n TYR 74 Ca 0.02 -0.27 -0.42 0.00 -0.16 0.00 0.00 57.90 57.07 1axx n TYR 74 Cb 0.41 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.32 3.31 -0.15 -0.72 2.07 -0.30 -2.78 121.20 121.31 1axx s ILE 75 Ca 0.33 0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 59.74 1axx s ILE 75 Cb 0.20 -3.46 -0.24 0.00 0.13 0.00 0.00 42.46 39.09 1axx s ILE 75 CO 0.27 -0.31 0.35 0.16 -1.91 0.00 0.00 174.94 173.50 1axx h ILE 76 N 6.96 0.79 -1.66 2.00 3.07 -1.72 -3.49 117.51 123.47 1axx h ILE 76 Ca -0.34 -2.30 0.04 0.00 1.55 0.00 0.00 64.86 63.81 1axx h ILE 76 Cb 1.19 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 40.18 1axx h ILE 76 CO 1.03 0.67 0.14 0.61 -1.05 0.00 0.00 178.15 179.55 1axx n GLY 77 N 1.76 0.99 3.32 0.16 0.00 -1.12 -4.56 105.19 105.75 1axx n GLY 77 Ca -0.31 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.01 1.24 0.27 1.61 2.02 -0.70 -0.52 118.70 120.61 1axx s GLU 78 Ca 0.05 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1axx s GLU 78 Cb -0.00 -1.28 -0.10 0.00 0.10 0.00 0.00 34.13 32.84 1axx s GLU 78 CO 0.01 0.26 1.36 -1.17 0.02 0.00 0.00 175.26 175.74 1axx s LEU 79 N -2.62 4.41 0.18 1.80 2.96 -0.14 -0.83 118.68 124.44 1axx s LEU 79 Ca 0.15 2.62 -0.33 0.00 -0.22 0.00 0.00 54.13 56.35 1axx s LEU 79 Cb -0.06 -3.63 -0.15 0.00 0.50 0.00 0.00 46.19 42.85 1axx s LEU 79 CO 0.06 -0.60 1.21 1.57 -1.32 0.00 0.00 176.35 177.27 1axx n HIS 80 N 1.78 1.46 0.27 5.38 -0.00 0.57 -4.76 115.22 119.92 1axx n HIS 80 Ca 0.04 0.63 0.13 0.00 -0.00 0.00 0.00 57.72 58.52 1axx n HIS 80 Cb 0.41 -2.31 0.77 0.00 -0.00 0.00 0.00 29.99 28.86 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 3.58 0.00 -0.17 1.57 0.13 -1.90 -2.51 132.00 132.70 1axx h PRO 81 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1axx h PRO 81 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1axx h PRO 81 CO 0.71 0.09 -0.33 -0.44 -0.23 0.00 0.00 178.00 177.80 1axx h ASP 82 N 0.00 -1.08 -0.56 1.44 5.19 -1.95 0.86 116.42 120.32 1axx h ASP 82 Ca -0.00 0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1axx h ASP 82 Cb 0.23 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1axx h ASP 82 CO 0.01 -0.27 0.19 -0.78 -3.12 0.00 0.00 179.24 175.28 1axx h ASP 83 N -0.29 0.80 -1.01 6.45 3.58 -1.83 -1.90 116.42 122.22 1axx h ASP 83 Ca 0.03 -0.19 0.24 0.00 0.42 0.00 0.00 57.03 57.53 1axx h ASP 83 Cb 0.38 -0.21 -0.11 0.00 1.72 0.00 0.00 39.33 41.12 1axx h ASP 83 CO -0.31 0.77 0.63 -0.09 -2.88 0.00 0.00 179.24 177.36 1axx h ARG 84 N 0.77 0.53 -0.91 0.28 2.43 -1.26 0.33 114.38 116.55 1axx h ARG 84 Ca 0.18 -0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 58.97 1axx h ARG 84 Cb 0.25 -0.12 -0.21 0.00 -0.42 0.00 0.00 29.97 29.47 1axx h ARG 84 CO -0.01 0.35 0.45 0.43 -1.51 0.00 0.00 179.97 179.68 1axx n SER 85 N -4.75 4.03 0.07 -3.80 7.64 0.28 -4.40 113.62 112.68 1axx n SER 85 Ca 0.25 -3.29 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1axx n SER 85 Cb 0.75 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.61 0.00 -3.31 1.43 3.00 0.95 -5.00 118.16 114.62 1axx n LYS 86 Ca 0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.58 1axx n LYS 86 Cb 1.44 -0.22 0.02 0.00 0.00 0.00 0.00 35.03 36.27 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1axx n ILE 87 N -3.23 -2.86 -0.66 3.15 5.41 0.01 -4.94 119.36 116.25 1axx n ILE 87 Ca 0.00 0.28 -0.31 0.00 1.00 0.00 0.00 62.75 63.72 1axx n ILE 87 Cb 0.00 -3.19 0.18 0.00 -0.71 0.00 0.00 39.64 35.92 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1axx n ALA 88 N 0.55 -1.27 -1.68 -1.39 0.00 -1.26 -4.91 120.51 110.55 1axx n ALA 88 Ca -0.04 -0.65 -0.44 0.00 0.00 0.00 0.00 53.44 52.30 1axx n ALA 88 Cb 0.58 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1axx n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1axx n LYS 89 N -4.13 2.07 -2.20 0.00 4.01 -1.26 -4.94 118.16 111.71 1axx n LYS 89 Ca 0.10 0.73 -0.35 0.00 -0.51 0.00 0.00 58.31 58.29 1axx n LYS 89 Cb 0.52 -2.36 0.01 0.00 -0.51 0.00 0.00 35.03 32.69 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1axx s PRO 90 N -0.95 3.31 -0.29 1.97 0.04 -1.26 -5.05 135.00 132.77 1axx s PRO 90 Ca 0.63 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 1axx s PRO 90 Cb -0.62 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1axx s PRO 90 CO 0.54 -0.88 0.99 0.45 0.04 0.00 0.00 177.00 178.15 1axx s SER 91 N -1.94 -0.53 0.20 6.66 0.15 -1.26 -5.18 113.70 111.80 1axx s SER 91 Ca 0.71 0.78 -0.23 0.00 0.70 0.00 0.00 55.95 57.91 1axx s SER 91 Cb -0.23 1.43 0.05 0.00 -1.71 0.00 0.00 66.02 65.56 1axx s SER 91 CO 0.29 -0.12 0.76 -1.83 1.20 0.00 0.00 173.24 173.55 1axx s GLU 92 N 1.88 1.47 -0.18 5.44 -1.05 -1.26 -5.10 118.70 119.90 1axx s GLU 92 Ca -0.06 -0.75 -0.07 0.00 -0.15 0.00 0.00 54.97 53.94 1axx s GLU 92 Cb -0.05 0.54 -0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1axx s GLU 92 CO -0.16 -0.66 -0.22 2.41 0.95 0.00 0.00 175.26 177.58 1axx n THR 93 N -0.43 0.97 0.83 1.83 -1.04 -1.26 -5.30 114.28 109.87 1axx n THR 93 Ca -0.08 -0.26 0.07 0.00 -2.04 0.00 0.00 64.05 61.74 1axx n THR 93 Cb 0.61 -1.64 0.39 0.00 -1.82 0.00 0.00 70.33 67.87 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32