#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx s LYS 2 N 0.00 1.21 0.23 -1.24 0.00 -1.26 -4.98 119.74 113.70 1axx s LYS 2 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 55.97 55.99 1axx s LYS 2 Cb 0.00 -1.86 0.20 0.00 0.00 0.00 0.00 37.83 36.16 1axx s LYS 2 CO 0.00 -2.11 1.90 0.22 0.00 0.00 0.00 175.35 175.36 1axx h ASP 3 N -1.43 0.99 -0.54 0.03 1.82 -2.05 -3.43 116.42 111.80 1axx h ASP 3 Ca -0.48 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1axx h ASP 3 Cb 1.31 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1axx h ASP 3 CO 0.58 0.72 0.00 1.33 -1.61 0.00 0.00 179.24 180.26 1axx n VAL 4 N -4.48 0.00 -3.19 2.25 0.24 -1.26 -5.08 118.33 106.80 1axx n VAL 4 Ca 0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.15 1axx n VAL 4 Cb 0.02 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.06 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 0.00 0.75 -1.61 7.34 5.02 -0.96 -4.91 118.16 123.79 1axx n LYS 5 Ca 0.00 -3.25 -0.50 0.00 -2.02 0.00 0.00 58.31 52.54 1axx n LYS 5 Cb 0.00 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1axx n TYR 6 N 1.38 2.04 -4.58 2.13 4.01 -1.26 -3.08 117.16 117.81 1axx n TYR 6 Ca 0.21 0.13 -0.29 0.00 -0.16 0.00 0.00 57.90 57.79 1axx n TYR 6 Cb 0.53 -2.61 -0.14 0.00 -0.31 0.00 0.00 39.34 36.82 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1axx s TYR 7 N 5.47 2.27 0.75 -0.72 2.02 0.32 -4.73 117.35 122.73 1axx s TYR 7 Ca 0.99 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 57.20 1axx s TYR 7 Cb -0.75 -1.28 0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1axx s TYR 7 CO 0.51 0.25 1.11 0.95 -1.57 0.00 0.00 175.55 176.80 1axx s THR 8 N -0.97 2.46 0.01 -0.71 -4.23 -1.26 -0.29 115.64 110.66 1axx s THR 8 Ca 0.13 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1axx s THR 8 Cb -0.10 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 1axx s THR 8 CO 0.04 -0.16 1.05 -0.07 -0.54 0.00 0.00 174.62 174.95 1axx h LEU 9 N -0.82 -0.33 -0.79 4.79 -0.00 -1.99 -2.30 115.31 113.87 1axx h LEU 9 Ca -0.45 0.01 0.18 0.00 -0.00 0.00 0.00 57.88 57.62 1axx h LEU 9 Cb 1.31 0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 41.92 1axx h LEU 9 CO 0.64 -0.22 0.01 -0.33 -0.00 0.00 0.00 178.44 178.54 1axx h GLU 10 N -0.43 0.10 -0.13 1.13 5.08 -1.96 0.23 114.58 118.61 1axx h GLU 10 Ca -0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1axx h GLU 10 Cb 0.30 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1axx h GLU 10 CO 0.07 0.06 -0.54 1.49 -1.00 0.00 0.00 179.01 179.09 1axx h GLU 11 N 0.10 -0.56 -0.23 2.33 4.57 -1.94 0.15 114.58 119.00 1axx h GLU 11 Ca 0.44 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.60 1axx h GLU 11 Cb 0.79 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1axx h GLU 11 CO -0.70 -0.37 -0.11 0.82 -1.18 0.00 0.00 179.01 177.47 1axx h ILE 12 N -0.58 1.20 0.00 2.32 1.08 -0.53 -0.76 117.51 120.24 1axx h ILE 12 Ca 0.03 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1axx h ILE 12 Cb 0.68 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1axx h ILE 12 CO -0.43 0.28 0.00 1.67 -0.69 0.00 0.00 178.15 178.98 1axx n GLN 13 N -4.25 0.06 0.03 2.37 7.27 0.65 -2.17 117.38 121.34 1axx n GLN 13 Ca 0.00 0.33 -0.13 0.00 0.07 0.00 0.00 57.00 57.28 1axx n GLN 13 Cb 0.28 -1.63 -0.14 0.00 2.41 0.00 0.00 30.24 31.17 1axx n GLN 13 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1axx h LYS 14 N 0.00 0.12 -5.07 3.69 1.57 0.81 -3.42 116.57 114.27 1axx h LYS 14 Ca 0.00 -0.21 -0.51 0.00 -1.87 0.00 0.00 60.65 58.06 1axx h LYS 14 Cb 0.26 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1axx h LYS 14 CO 0.00 0.89 1.76 0.72 -0.57 0.00 0.00 179.45 182.25 1axx n HIS 15 N -3.29 2.69 -2.70 -1.35 8.25 -0.92 -4.33 115.22 113.56 1axx n HIS 15 Ca -0.15 -1.83 -0.04 0.00 -0.26 0.00 0.00 57.72 55.43 1axx n HIS 15 Cb 1.03 -2.29 0.10 0.00 1.12 0.00 0.00 29.99 29.95 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 7.70 1.33 -3.75 -0.41 4.81 -1.14 -3.45 118.16 123.25 1axx n LYS 16 Ca 0.47 -2.01 -0.04 0.00 -0.87 0.00 0.00 58.31 55.86 1axx n LYS 16 Cb 0.44 -0.24 -0.01 0.00 0.02 0.00 0.00 35.03 35.23 1axx n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1axx s ASP 17 N -1.79 -0.19 0.00 3.14 2.15 -1.24 -5.02 116.67 113.72 1axx s ASP 17 Ca 0.18 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1axx s ASP 17 Cb 0.42 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 1axx s ASP 17 CO -0.08 -0.92 0.00 -0.24 -0.17 0.00 0.00 175.17 173.76 1axx n SER 18 N -0.46 0.00 -2.68 -0.34 2.88 -1.26 -1.88 113.62 109.87 1axx n SER 18 Ca -0.06 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 1axx n SER 18 Cb 0.61 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.15 1axx n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1axx n LYS 19 N 0.00 0.33 -3.40 -1.46 4.76 -1.26 -5.08 118.16 112.05 1axx n LYS 19 Ca 0.00 -1.00 -0.22 0.00 -2.87 0.00 0.00 58.31 54.23 1axx n LYS 19 Cb 0.00 -0.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.61 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1axx s SER 20 N -0.57 1.91 -0.55 4.39 0.15 -0.79 -5.01 113.70 113.23 1axx s SER 20 Ca 0.25 -1.74 -0.10 0.00 0.70 0.00 0.00 55.95 55.06 1axx s SER 20 Cb 0.25 0.19 0.14 0.00 -1.71 0.00 0.00 66.02 64.89 1axx s SER 20 CO -0.14 -0.29 0.43 -0.89 1.20 0.00 0.00 173.24 173.55 1axx s THR 21 N 1.38 4.42 0.26 6.45 2.01 -1.26 -2.91 115.64 125.98 1axx s THR 21 Ca 0.17 -2.02 0.07 0.00 0.31 0.00 0.00 61.69 60.22 1axx s THR 21 Cb -0.18 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1axx s THR 21 CO -0.05 -0.83 0.24 0.26 -0.69 0.00 0.00 174.62 173.55 1axx s TRP 22 N 1.02 3.17 -0.08 4.92 0.52 -1.25 -3.05 118.94 124.18 1axx s TRP 22 Ca 0.09 -0.11 -0.16 0.00 0.02 0.00 0.00 56.10 55.94 1axx s TRP 22 Cb -0.24 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1axx s TRP 22 CO -0.02 0.47 0.39 0.14 0.02 0.00 0.00 176.95 177.95 1axx s VAL 23 N -2.12 0.02 -0.33 4.03 -7.23 -1.03 -0.16 120.40 113.58 1axx s VAL 23 Ca 0.34 -0.20 -0.09 0.00 -1.81 0.00 0.00 61.98 60.21 1axx s VAL 23 Cb -0.08 -0.63 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1axx s VAL 23 CO 0.26 -0.11 0.16 0.27 -0.31 0.00 0.00 175.10 175.37 1axx s ILE 24 N -0.56 4.44 -0.35 -0.62 -5.25 -1.02 -1.08 121.20 116.76 1axx s ILE 24 Ca -0.07 -0.68 -0.02 0.00 -0.99 0.00 0.00 60.65 58.89 1axx s ILE 24 Cb -0.04 -3.37 0.08 0.00 2.95 0.00 0.00 42.46 42.08 1axx s ILE 24 CO 0.03 -0.06 0.09 -0.76 -1.79 0.00 0.00 174.94 172.45 1axx s LEU 25 N 1.56 4.52 -1.00 0.37 1.43 0.34 -3.08 118.68 122.81 1axx s LEU 25 Ca 0.03 -1.61 -0.05 0.00 -1.03 0.00 0.00 54.13 51.46 1axx s LEU 25 Cb -0.18 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 1axx s LEU 25 CO 0.06 -0.38 0.89 1.41 0.23 0.00 0.00 176.35 178.55 1axx n HIS 26 N 4.60 -2.54 -3.81 0.29 8.25 -1.26 -3.35 115.22 117.39 1axx n HIS 26 Ca -0.08 0.90 -0.30 0.00 -0.26 0.00 0.00 57.72 57.98 1axx n HIS 26 Cb 0.43 -4.12 0.01 0.00 1.12 0.00 0.00 29.99 27.42 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 -3.02 -2.04 -3.65 4.41 8.25 -1.26 -4.95 115.22 112.95 1axx n HIS 27 Ca -0.06 0.76 -0.18 0.00 -0.26 0.00 0.00 57.72 57.97 1axx n HIS 27 Cb 0.60 -3.50 -0.16 0.00 1.12 0.00 0.00 29.99 28.04 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 -6.51 0.01 -0.19 -0.41 1.02 -1.21 -3.60 119.74 108.85 1axx s LYS 28 Ca 0.61 0.44 -0.24 0.00 0.02 0.00 0.00 55.97 56.80 1axx s LYS 28 Cb -0.31 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.48 1axx s LYS 28 CO 0.75 -0.36 0.77 0.08 -0.92 0.00 0.00 175.35 175.67 1axx s VAL 29 N 2.25 4.92 -0.15 3.17 1.01 0.95 -0.51 120.40 132.04 1axx s VAL 29 Ca 0.04 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1axx s VAL 29 Cb -0.12 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1axx s VAL 29 CO -0.05 0.04 -0.10 -0.31 0.00 0.00 0.00 175.10 174.67 1axx s TYR 30 N 2.16 2.87 -0.33 5.22 2.02 -0.24 -1.36 117.35 127.69 1axx s TYR 30 Ca 0.35 -0.62 -0.23 0.00 -0.37 0.00 0.00 57.07 56.20 1axx s TYR 30 Cb -0.16 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1axx s TYR 30 CO 0.11 -0.22 0.79 0.34 -1.57 0.00 0.00 175.55 175.00 1axx s ASP 31 N 0.48 6.62 -0.15 2.29 -1.08 -0.59 -2.47 116.67 121.78 1axx s ASP 31 Ca -0.08 0.56 0.18 0.00 -0.52 0.00 0.00 52.55 52.70 1axx s ASP 31 Cb -0.15 -2.40 0.39 0.00 -1.46 0.00 0.00 42.92 39.29 1axx s ASP 31 CO 0.04 -0.65 1.26 0.18 0.52 0.00 0.00 175.17 176.52 1axx n LEU 32 N 6.27 2.99 0.23 -1.34 4.77 -1.17 -4.77 117.00 124.00 1axx n LEU 32 Ca 0.03 -3.06 0.16 0.00 -0.03 0.00 0.00 56.01 53.12 1axx n LEU 32 Cb 0.48 -0.48 0.64 0.00 -2.33 0.00 0.00 43.42 41.74 1axx n LEU 32 CO 0.51 0.69 0.96 0.74 -1.33 0.00 0.00 177.39 178.97 1axx h THR 33 N 0.76 0.00 -0.19 -5.08 2.02 -1.89 0.78 112.91 109.31 1axx h THR 33 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1axx h THR 33 Cb 1.19 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1axx h THR 33 CO 0.09 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.27 1axx n LYS 34 N -2.83 2.53 0.00 6.66 5.02 -1.26 -4.54 118.16 123.74 1axx n LYS 34 Ca 0.01 -2.60 0.04 0.00 -2.02 0.00 0.00 58.31 53.74 1axx n LYS 34 Cb 0.28 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.60 0.00 0.05 2.13 7.35 0.23 -4.69 117.46 121.94 1axx n PHE 35 Ca 0.18 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.76 1axx n PHE 35 Cb 0.74 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.52 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 1.57 -0.47 -0.09 -2.13 3.38 -1.70 0.20 115.31 116.07 1axx h LEU 36 Ca 0.00 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1axx h LEU 36 Cb 0.35 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1axx h LEU 36 CO 0.00 -0.22 -0.19 -0.08 0.09 0.00 0.00 178.44 178.04 1axx h GLU 37 N -0.26 0.29 -0.87 1.13 4.81 -1.89 -2.99 114.58 114.81 1axx h GLU 37 Ca 0.06 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1axx h GLU 37 Cb 0.33 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1axx h GLU 37 CO -0.16 0.79 0.54 0.93 -0.73 0.00 0.00 179.01 180.38 1axx h GLU 38 N -0.17 0.98 -6.08 1.92 5.08 -1.78 -3.43 114.58 111.11 1axx h GLU 38 Ca 0.00 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.63 1axx h GLU 38 Cb 0.78 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1axx h GLU 38 CO 0.04 0.65 1.26 1.58 -1.00 0.00 0.00 179.01 181.54 1axx n HIS 39 N -4.60 1.86 0.28 4.33 -0.00 0.69 -4.81 115.22 112.96 1axx n HIS 39 Ca 0.12 0.24 0.16 0.00 0.46 0.00 0.00 57.72 58.70 1axx n HIS 39 Cb 0.16 -2.56 0.78 0.00 -0.12 0.00 0.00 29.99 28.25 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 10.90 0.00 0.00 1.57 0.13 -1.90 0.11 132.00 142.81 1axx h PRO 40 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1axx h PRO 40 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1axx h PRO 40 CO 0.99 0.00 -0.06 0.41 -0.23 0.00 0.00 178.00 179.11 1axx n GLY 41 N -0.76 -1.55 0.00 1.56 0.00 -1.26 -5.05 105.19 98.13 1axx n GLY 41 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.43 2.07 0.09 -0.02 0.00 0.37 -4.78 105.19 104.34 1axx n GLY 42 Ca 0.06 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 0.09 -0.01 1.61 4.81 -1.77 -3.39 114.58 115.92 1axx h GLU 43 Ca 0.00 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1axx h GLU 43 Cb 0.00 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1axx h GLU 43 CO 0.00 1.08 -0.21 1.49 -0.73 0.00 0.00 179.01 180.64 1axx h GLU 44 N -0.80 -0.32 -1.36 1.92 4.81 -1.90 0.23 114.58 117.17 1axx h GLU 44 Ca -0.07 0.02 0.40 0.00 -0.13 0.00 0.00 59.36 59.58 1axx h GLU 44 Cb 1.23 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1axx h GLU 44 CO 0.03 -0.21 0.95 -0.39 -0.73 0.00 0.00 179.01 178.66 1axx h VAL 45 N -0.33 0.28 0.15 0.32 -1.51 -1.86 0.52 116.25 113.81 1axx h VAL 45 Ca 0.06 -0.03 -0.30 0.00 -1.23 0.00 0.00 66.70 65.20 1axx h VAL 45 Cb 0.41 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1axx h VAL 45 CO -0.20 0.01 -1.52 -0.07 -1.23 0.00 0.00 177.57 174.56 1axx h LEU 46 N 0.08 0.48 -0.47 4.19 3.38 -0.82 -3.32 115.31 118.83 1axx h LEU 46 Ca 0.70 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1axx h LEU 46 Cb 2.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 43.13 1axx h LEU 46 CO -0.13 1.68 0.00 0.54 0.09 0.00 0.00 178.44 180.62 1axx n ARG 47 N -3.80 0.16 -0.06 1.13 1.74 0.07 -3.54 116.66 112.35 1axx n ARG 47 Ca -0.24 0.35 -0.03 0.00 -0.77 0.00 0.00 57.85 57.16 1axx n ARG 47 Cb 0.97 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1axx h GLU 48 N 0.00 -0.06 0.00 5.56 4.39 -0.19 -3.35 114.58 120.93 1axx h GLU 48 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1axx h GLU 48 Cb 0.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1axx h GLU 48 CO 0.00 -0.04 -0.05 1.04 -1.16 0.00 0.00 179.01 178.79 1axx n GLN 49 N -3.48 0.04 -1.43 2.33 1.13 -1.26 -5.11 117.38 109.60 1axx n GLN 49 Ca -0.00 0.16 0.07 0.00 -1.94 0.00 0.00 57.00 55.29 1axx n GLN 49 Cb 0.08 -0.72 -0.04 0.00 0.11 0.00 0.00 30.24 29.68 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 -2.48 -2.54 -3.79 -1.58 0.00 -1.23 -4.88 120.51 104.00 1axx n ALA 50 Ca -0.01 0.59 -0.26 0.00 0.00 0.00 0.00 53.44 53.76 1axx n ALA 50 Cb 0.03 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.27 -0.50 0.00 0.00 0.00 0.77 -4.90 105.19 97.29 1axx n GLY 51 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.78 -0.76 3.40 -0.02 0.00 -1.26 -3.99 105.19 100.78 1axx n GLY 52 Ca -0.24 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 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 1.77 0.00 1.61 9.92 -1.26 -2.42 116.55 126.17 1axx n ASP 53 Ca 0.00 -2.58 0.10 0.00 -0.53 0.00 0.00 54.79 51.78 1axx n ASP 53 Cb 0.00 -1.02 0.55 0.00 -0.64 0.00 0.00 41.12 40.01 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1axx n ALA 54 N 10.78 2.13 -0.32 2.24 0.00 -1.18 -3.39 120.51 130.78 1axx n ALA 54 Ca 0.47 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.87 1axx n ALA 54 Cb 0.43 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.71 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 0.00 0.11 -0.85 0.00 2.02 -1.84 0.11 112.91 112.46 1axx h THR 55 Ca 0.00 -0.01 0.22 0.00 0.77 0.00 0.00 66.41 67.39 1axx h THR 55 Cb 0.14 0.09 -0.14 0.00 -1.74 0.00 0.00 68.15 66.51 1axx h THR 55 CO 0.00 0.00 0.22 -0.08 0.37 0.00 0.00 175.52 176.03 1axx h GLU 56 N 0.02 0.22 0.09 6.66 4.57 -1.93 0.23 114.58 124.44 1axx h GLU 56 Ca 0.47 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.44 1axx h GLU 56 Cb 0.81 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1axx h GLU 56 CO -0.89 0.14 -0.98 -0.97 -1.18 0.00 0.00 179.01 175.14 1axx h ASN 57 N 0.22 0.31 -0.88 1.04 -0.73 -1.38 -2.26 115.58 111.90 1axx h ASN 57 Ca 0.52 -0.87 0.12 0.00 1.87 0.00 0.00 56.30 57.94 1axx h ASN 57 Cb 1.02 -0.10 -0.08 0.00 0.27 0.00 0.00 38.32 39.43 1axx h ASN 57 CO -0.63 1.43 0.51 0.15 -0.37 0.00 0.00 177.43 178.53 1axx h PHE 58 N -0.51 0.92 0.00 0.67 3.57 -0.38 -2.21 116.94 118.99 1axx h PHE 58 Ca -0.21 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.15 1axx h PHE 58 Cb 1.55 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1axx h PHE 58 CO 0.17 0.34 -0.86 0.93 -2.23 0.00 0.00 178.31 176.66 1axx h GLU 59 N 0.81 0.00 -0.61 1.11 4.39 -0.68 -0.71 114.58 118.88 1axx h GLU 59 Ca 0.44 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.27 1axx h GLU 59 Cb 0.47 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.01 1axx h GLU 59 CO -0.28 0.74 -0.15 0.22 -1.16 0.00 0.00 179.01 178.38 1axx h ASP 60 N 0.00 -0.56 0.04 1.42 3.58 -0.77 -1.02 116.42 119.11 1axx h ASP 60 Ca -0.03 0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1axx h ASP 60 Cb 1.62 0.38 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1axx h ASP 60 CO 0.10 -0.20 -0.02 0.58 -2.88 0.00 0.00 179.24 176.82 1axx h VAL 61 N 0.00 1.30 -3.40 2.25 2.07 -1.58 -3.49 116.25 113.40 1axx h VAL 61 Ca 0.30 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1axx h VAL 61 Cb 0.45 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1axx h VAL 61 CO -0.63 0.31 -0.05 0.61 0.02 0.00 0.00 177.57 177.83 1axx n GLY 62 N 0.40 -0.12 3.51 2.17 0.00 -0.27 -4.98 105.19 105.89 1axx n GLY 62 Ca -0.09 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.34 -0.36 -0.77 1.61 8.25 -1.23 -4.98 115.22 116.39 1axx n HIS 63 Ca -0.00 0.38 -0.31 0.00 -0.26 0.00 0.00 57.72 57.52 1axx n HIS 63 Cb 0.51 -1.97 0.16 0.00 1.12 0.00 0.00 29.99 29.80 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 -1.46 3.09 0.28 0.41 0.01 -1.26 -4.77 113.70 110.01 1axx s SER 64 Ca 0.68 2.17 -0.02 0.00 1.31 0.00 0.00 55.95 60.09 1axx s SER 64 Cb -0.36 -2.56 0.44 0.00 0.21 0.00 0.00 66.02 63.74 1axx s SER 64 CO 0.55 -2.99 1.91 0.00 0.41 0.00 0.00 173.24 173.12 1axx h THR 65 N -1.76 1.12 -0.63 1.44 1.03 -1.99 -0.62 112.91 111.49 1axx h THR 65 Ca -0.43 -0.39 0.13 0.00 -0.01 0.00 0.00 66.41 65.71 1axx h THR 65 Cb 1.27 -0.12 -0.11 0.00 -1.07 0.00 0.00 68.15 68.12 1axx h THR 65 CO 0.43 0.21 0.01 0.44 -0.01 0.00 0.00 175.52 176.59 1axx h ASP 66 N 1.14 -0.27 -0.32 0.00 5.19 -1.99 0.80 116.42 120.97 1axx h ASP 66 Ca 0.39 0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.88 1axx h ASP 66 Cb 0.09 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1axx h ASP 66 CO -0.13 -0.12 -0.09 0.00 -3.12 0.00 0.00 179.24 175.78 1axx h ALA 67 N 1.58 0.44 -0.27 3.45 0.00 -1.49 -0.60 119.26 122.37 1axx h ALA 67 Ca 0.33 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1axx h ALA 67 Cb 0.54 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1axx h ALA 67 CO -0.54 0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.88 1axx h ARG 68 N 0.40 -0.07 -0.63 0.00 3.08 -0.37 0.22 114.38 117.01 1axx h ARG 68 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1axx h ARG 68 Cb 0.59 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1axx h ARG 68 CO 0.03 -0.05 0.10 1.05 -1.07 0.00 0.00 179.97 180.03 1axx h GLU 69 N -0.07 1.03 -0.69 0.04 -0.00 -0.85 -2.72 114.58 111.31 1axx h GLU 69 Ca 0.14 -0.27 -0.03 0.00 -0.00 0.00 0.00 59.36 59.21 1axx h GLU 69 Cb 0.28 -0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 28.88 1axx h GLU 69 CO -0.32 0.95 0.32 1.25 -0.00 0.00 0.00 179.01 181.21 1axx h LEU 70 N 0.97 0.89 -0.72 3.06 5.85 -0.35 -2.14 115.31 122.88 1axx h LEU 70 Ca 0.19 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1axx h LEU 70 Cb 0.42 -0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.10 1axx h LEU 70 CO 0.01 0.76 -0.07 0.28 -0.34 0.00 0.00 178.44 179.08 1axx h SER 71 N 0.98 -0.47 -0.76 1.25 0.02 -0.25 0.03 113.55 114.35 1axx h SER 71 Ca 0.24 0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.56 1axx h SER 71 Cb 0.11 0.38 -0.12 0.00 0.14 0.00 0.00 62.40 62.91 1axx h SER 71 CO -0.03 -0.20 0.17 0.11 -1.14 0.00 0.00 176.83 175.74 1axx h LYS 72 N 0.06 0.23 0.00 3.45 1.79 -1.39 0.29 116.57 121.00 1axx h LYS 72 Ca 0.37 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1axx h LYS 72 Cb 0.62 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1axx h LYS 72 CO -0.68 0.16 -0.01 1.15 -1.08 0.00 0.00 179.45 178.99 1axx h THR 73 N 0.24 0.44 -0.03 -0.16 2.02 -1.05 -1.32 112.91 113.05 1axx h THR 73 Ca 0.43 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1axx h THR 73 Cb 0.77 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1axx h THR 73 CO -0.55 0.01 -0.09 -1.22 0.37 0.00 0.00 175.52 174.04 1axx n TYR 74 N -3.69 0.00 -2.14 3.16 4.01 0.90 -4.98 117.16 114.42 1axx n TYR 74 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 1axx n TYR 74 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.06 2.91 -0.05 -0.72 2.07 -0.48 -1.54 121.20 121.34 1axx s ILE 75 Ca 0.26 0.81 0.01 0.00 -1.41 0.00 0.00 60.65 60.31 1axx s ILE 75 Cb 0.19 -3.51 -0.03 0.00 0.13 0.00 0.00 42.46 39.24 1axx s ILE 75 CO 0.35 0.15 -0.03 2.30 -1.91 0.00 0.00 174.94 175.79 1axx n ILE 76 N 1.97 0.27 -1.93 2.00 -5.35 -0.46 -4.86 119.36 111.01 1axx n ILE 76 Ca 0.04 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1axx n ILE 76 Cb 0.42 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 3.20 1.52 3.33 3.28 0.00 -1.10 -2.26 105.19 113.17 1axx n GLY 77 Ca -0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 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 1.82 1.69 0.04 1.61 2.02 -1.18 -0.04 118.70 124.67 1axx s GLU 78 Ca 0.00 -1.87 -0.30 0.00 0.02 0.00 0.00 54.97 52.82 1axx s GLU 78 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 1axx s GLU 78 CO 0.00 -0.64 1.01 -0.51 0.02 0.00 0.00 175.26 175.14 1axx s LEU 79 N -3.29 4.40 0.20 1.80 1.43 -1.24 -0.52 118.68 121.46 1axx s LEU 79 Ca 0.37 1.76 -0.32 0.00 -1.03 0.00 0.00 54.13 54.92 1axx s LEU 79 Cb 0.02 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 1axx s LEU 79 CO 0.23 -0.25 1.13 1.57 0.23 0.00 0.00 176.35 179.26 1axx n HIS 80 N 3.59 1.29 0.28 0.29 -0.00 0.60 -4.76 115.22 116.51 1axx n HIS 80 Ca 0.05 0.68 0.13 0.00 -0.00 0.00 0.00 57.72 58.59 1axx n HIS 80 Cb 0.50 -2.27 0.82 0.00 -0.00 0.00 0.00 29.99 29.04 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 3.07 0.00 -0.87 1.57 0.13 -1.93 -1.09 132.00 132.88 1axx h PRO 81 Ca -0.42 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.91 1axx h PRO 81 Cb 1.34 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1axx h PRO 81 CO 0.68 0.00 -0.07 0.22 -0.23 0.00 0.00 178.00 178.60 1axx h ASP 82 N 0.00 -0.56 -0.80 1.44 1.82 -1.99 0.14 116.42 116.47 1axx h ASP 82 Ca 0.01 0.25 -0.41 0.00 -0.39 0.00 0.00 57.03 56.49 1axx h ASP 82 Cb 0.05 0.46 -0.24 0.00 0.68 0.00 0.00 39.33 40.27 1axx h ASP 82 CO -0.00 -0.27 0.42 -0.67 -1.61 0.00 0.00 179.24 177.11 1axx n ASP 83 N -5.47 3.40 -0.07 2.28 2.03 -0.42 -4.27 116.55 114.04 1axx n ASP 83 Ca 0.16 -3.65 -0.21 0.00 0.52 0.00 0.00 54.79 51.61 1axx n ASP 83 Cb 0.55 -0.78 -0.12 0.00 -0.72 0.00 0.00 41.12 40.05 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 1.06 0.07 0.07 -0.67 2.43 -0.95 -3.34 114.38 113.05 1axx h ARG 84 Ca 0.50 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1axx h ARG 84 Cb 2.49 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 32.09 1axx h ARG 84 CO 0.88 1.06 -0.04 1.03 -1.51 0.00 0.00 179.97 181.39 1axx h SER 85 N -0.76 -0.08 -0.26 -3.80 0.87 -1.77 -3.37 113.55 104.38 1axx h SER 85 Ca -0.33 -0.19 -0.22 0.00 -1.23 0.00 0.00 61.79 59.82 1axx h SER 85 Cb 1.45 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.35 1axx h SER 85 CO -0.12 0.49 -0.06 2.29 -0.53 0.00 0.00 176.83 178.90 1axx n LYS 86 N -4.82 1.83 -1.59 2.24 2.85 -1.26 -4.93 118.16 112.48 1axx n LYS 86 Ca -0.03 -1.10 -0.47 0.00 -1.05 0.00 0.00 58.31 55.66 1axx n LYS 86 Cb 0.13 -1.76 -0.05 0.00 -0.65 0.00 0.00 35.03 32.71 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1axx n ILE 87 N 1.72 0.41 -3.90 0.58 5.41 -1.25 -4.86 119.36 117.45 1axx n ILE 87 Ca 0.33 -0.27 -0.28 0.00 1.00 0.00 0.00 62.75 63.53 1axx n ILE 87 Cb 0.71 -2.07 -0.17 0.00 -0.71 0.00 0.00 39.64 37.41 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1axx s ALA 88 N 6.41 1.45 0.02 -1.39 0.00 -1.26 -5.11 121.76 121.88 1axx s ALA 88 Ca 1.00 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1axx s ALA 88 Cb -0.60 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1axx s ALA 88 CO 0.45 -0.62 0.17 0.21 0.00 0.00 0.00 175.76 175.97 1axx s LYS 89 N 1.65 3.34 0.96 0.00 2.20 -1.26 -5.12 119.74 121.51 1axx s LYS 89 Ca 0.03 -0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 55.07 1axx s LYS 89 Cb -0.14 -3.01 0.18 0.00 -1.51 0.00 0.00 37.83 33.35 1axx s LYS 89 CO -0.08 0.64 1.23 -1.25 -0.36 0.00 0.00 175.35 175.53 1axx s PRO 90 N -2.14 0.71 -1.12 4.03 0.04 -1.26 -4.92 135.00 130.34 1axx s PRO 90 Ca 0.29 -0.14 -0.20 0.00 0.04 0.00 0.00 61.00 60.99 1axx s PRO 90 Cb -0.13 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1axx s PRO 90 CO 0.21 -2.41 1.96 -1.13 0.04 0.00 0.00 177.00 175.67 1axx n SER 91 N -3.82 3.40 -4.18 6.66 3.41 -1.26 -4.87 113.62 112.95 1axx n SER 91 Ca 0.12 -2.76 -0.18 0.00 -0.26 0.00 0.00 58.87 55.79 1axx n SER 91 Cb 0.60 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.92 1axx n SER 91 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1axx s GLU 92 N 4.84 0.86 -0.28 4.33 4.04 -1.26 -5.15 118.70 126.08 1axx s GLU 92 Ca 0.57 -1.02 -0.17 0.00 0.04 0.00 0.00 54.97 54.40 1axx s GLU 92 Cb 0.09 -0.83 0.09 0.00 0.02 0.00 0.00 34.13 33.49 1axx s GLU 92 CO 0.07 0.18 0.74 0.99 -1.84 0.00 0.00 175.26 175.40 1axx s THR 93 N -1.48 0.00 0.00 1.83 2.01 -1.26 -5.18 115.64 111.56 1axx s THR 93 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1axx s THR 93 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1axx s THR 93 CO 0.02 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.13