#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 -6.76 -3.17 0.11 4.81 -1.26 -4.97 118.16 106.92 1axx n LYS 2 Ca 0.00 0.79 -0.23 0.00 -0.87 0.00 0.00 58.31 58.00 1axx n LYS 2 Cb 0.00 -5.77 0.00 0.00 0.02 0.00 0.00 35.03 29.28 1axx n LYS 2 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1axx s ASP 3 N -3.17 6.01 0.00 3.14 2.15 -1.26 -5.11 116.67 118.44 1axx s ASP 3 Ca 0.54 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1axx s ASP 3 Cb -0.25 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1axx s ASP 3 CO 0.67 -0.53 0.00 0.52 -0.17 0.00 0.00 175.17 175.65 1axx n VAL 4 N -1.93 0.00 -2.69 1.11 0.31 -1.26 -4.97 118.33 108.90 1axx n VAL 4 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1axx n VAL 4 Cb 0.57 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.53 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 1.22 -1.64 5.55 5.02 -1.26 -4.98 118.16 122.05 1axx n LYS 5 Ca 0.00 -3.31 -0.43 0.00 -2.02 0.00 0.00 58.31 52.55 1axx n LYS 5 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.05 2.35 -4.76 2.13 4.02 -1.26 -3.11 117.16 116.48 1axx n TYR 6 Ca 0.11 -0.27 -0.29 0.00 -0.01 0.00 0.00 57.90 57.44 1axx n TYR 6 Cb 0.80 -2.77 -0.14 0.00 -0.02 0.00 0.00 39.34 37.21 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1axx s TYR 7 N 5.34 2.27 0.55 -0.72 2.02 0.28 -4.76 117.35 122.33 1axx s TYR 7 Ca 0.93 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 57.07 1axx s TYR 7 Cb -0.46 -1.33 -0.06 0.00 -0.40 0.00 0.00 41.96 39.71 1axx s TYR 7 CO 0.42 0.17 1.00 0.95 -1.57 0.00 0.00 175.55 176.53 1axx s THR 8 N -0.87 4.50 0.12 -0.71 -4.23 -1.26 -0.49 115.64 112.69 1axx s THR 8 Ca 0.12 1.09 -0.29 0.00 -1.18 0.00 0.00 61.69 61.43 1axx s THR 8 Cb -0.10 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 69.95 1axx s THR 8 CO 0.03 -0.78 1.59 -0.07 -0.54 0.00 0.00 174.62 174.85 1axx h LEU 9 N 0.55 -1.17 -0.30 4.79 -0.00 -1.97 -0.98 115.31 116.23 1axx h LEU 9 Ca -0.46 0.14 0.07 0.00 -0.00 0.00 0.00 57.88 57.63 1axx h LEU 9 Cb 1.19 0.46 -0.07 0.00 -0.00 0.00 0.00 40.66 42.24 1axx h LEU 9 CO 0.61 -0.44 -0.14 -0.08 -0.00 0.00 0.00 178.44 178.39 1axx h GLU 10 N -0.56 -0.08 -0.13 1.13 4.81 -1.96 0.17 114.58 117.95 1axx h GLU 10 Ca 0.05 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1axx h GLU 10 Cb 0.63 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.97 1axx h GLU 10 CO -0.28 -0.06 -0.38 1.49 -0.73 0.00 0.00 179.01 179.04 1axx h GLU 11 N -0.09 -0.44 -0.80 1.92 4.57 -1.84 0.64 114.58 118.54 1axx h GLU 11 Ca 0.16 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1axx h GLU 11 Cb 0.32 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 1axx h GLU 11 CO -0.36 -0.30 0.50 0.82 -1.18 0.00 0.00 179.01 178.49 1axx h ILE 12 N -0.46 1.22 0.00 2.32 2.04 -0.49 0.71 117.51 122.85 1axx h ILE 12 Ca 0.08 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1axx h ILE 12 Cb 0.60 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1axx h ILE 12 CO -0.38 0.22 0.00 -0.61 0.00 0.00 0.00 178.15 177.38 1axx h GLN 13 N 1.10 0.00 0.17 2.37 4.15 0.22 -2.63 115.11 120.49 1axx h GLN 13 Ca 0.29 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.41 1axx h GLN 13 Cb -0.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1axx h GLN 13 CO -0.06 0.00 -1.41 0.87 -1.93 0.00 0.00 178.83 176.30 1axx h LYS 14 N 0.00 0.36 -4.15 1.69 1.57 0.14 -3.40 116.57 112.79 1axx h LYS 14 Ca 0.00 -0.61 -0.61 0.00 -1.87 0.00 0.00 60.65 57.55 1axx h LYS 14 Cb 0.34 0.23 0.03 0.00 0.08 0.00 0.00 32.23 32.91 1axx h LYS 14 CO 0.00 1.28 2.56 0.72 -0.57 0.00 0.00 179.45 183.44 1axx n HIS 15 N -3.58 2.08 -2.28 -1.35 8.25 -0.99 -3.95 115.22 113.40 1axx n HIS 15 Ca -0.14 -2.09 -0.03 0.00 -0.26 0.00 0.00 57.72 55.20 1axx n HIS 15 Cb 1.06 -1.87 -0.01 0.00 1.12 0.00 0.00 29.99 30.29 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 6.20 0.36 0.00 -0.41 2.85 -1.13 -2.28 118.16 123.75 1axx n LYS 16 Ca 0.50 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.33 1axx n LYS 16 Cb 0.34 0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1axx n ASP 17 N -0.21 0.00 -3.85 -5.58 2.03 -1.24 -4.98 116.55 102.72 1axx n ASP 17 Ca -0.16 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.02 1axx n ASP 17 Cb 0.84 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.10 1axx n ASP 17 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1axx s SER 18 N -1.00 -0.03 -1.42 1.67 1.04 -1.26 -4.86 113.70 107.84 1axx s SER 18 Ca 0.00 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 1axx s SER 18 Cb 0.00 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.28 1axx s SER 18 CO 0.00 -0.02 0.64 1.17 0.98 0.00 0.00 173.24 176.01 1axx n LYS 19 N 3.12 -3.74 -3.04 4.02 4.81 -1.26 -4.87 118.16 117.19 1axx n LYS 19 Ca -0.13 0.49 0.02 0.00 -0.87 0.00 0.00 58.31 57.81 1axx n LYS 19 Cb 0.59 -5.24 -0.00 0.00 0.02 0.00 0.00 35.03 30.40 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 -2.93 -1.05 -0.31 3.14 0.15 -1.26 -5.01 113.70 106.43 1axx s SER 20 Ca 0.51 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.74 1axx s SER 20 Cb -0.27 1.38 0.09 0.00 -1.71 0.00 0.00 66.02 65.51 1axx s SER 20 CO 0.63 -0.13 0.05 -0.89 1.20 0.00 0.00 173.24 174.10 1axx s THR 21 N 2.02 1.74 0.35 6.45 2.01 -1.26 -2.85 115.64 124.11 1axx s THR 21 Ca 0.16 -1.88 0.03 0.00 0.31 0.00 0.00 61.69 60.31 1axx s THR 21 Cb -0.02 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1axx s THR 21 CO -0.12 -0.54 0.52 0.26 -0.69 0.00 0.00 174.62 174.06 1axx s TRP 22 N 1.20 3.29 -0.15 4.92 0.52 -0.97 -2.65 118.94 125.10 1axx s TRP 22 Ca 0.08 0.06 -0.18 0.00 0.02 0.00 0.00 56.10 56.08 1axx s TRP 22 Cb -0.18 -1.99 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1axx s TRP 22 CO -0.13 -0.00 0.49 0.14 0.02 0.00 0.00 176.95 177.47 1axx s VAL 23 N -2.28 0.01 -0.29 4.03 -7.23 -0.07 0.32 120.40 114.89 1axx s VAL 23 Ca 0.43 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1axx s VAL 23 Cb -0.10 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.16 1axx s VAL 23 CO 0.34 -0.04 0.04 0.27 -0.31 0.00 0.00 175.10 175.40 1axx s ILE 24 N -0.10 3.57 -0.35 -0.62 -5.25 -0.78 -0.82 121.20 116.85 1axx s ILE 24 Ca -0.03 -0.94 0.01 0.00 -0.99 0.00 0.00 60.65 58.70 1axx s ILE 24 Cb -0.03 -2.90 0.09 0.00 2.95 0.00 0.00 42.46 42.57 1axx s ILE 24 CO 0.02 0.03 0.08 -0.76 -1.79 0.00 0.00 174.94 172.52 1axx s LEU 25 N 1.41 4.70 0.00 0.37 1.43 -1.11 -3.14 118.68 122.34 1axx s LEU 25 Ca 0.00 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 1axx s LEU 25 Cb -0.18 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1axx s LEU 25 CO 0.01 -0.40 0.00 1.41 0.23 0.00 0.00 176.35 177.59 1axx n HIS 26 N 4.42 -1.75 -1.73 0.29 8.25 -1.26 -4.05 115.22 119.39 1axx n HIS 26 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1axx n HIS 26 Cb 0.42 0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.52 1.87 0.00 4.41 8.25 -1.26 -4.73 115.22 122.24 1axx n HIS 27 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 1axx n HIS 27 Cb 0.00 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 28.67 1axx n HIS 27 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1axx n LYS 28 N 8.11 0.00 -4.70 -0.41 5.02 -1.26 -4.89 118.16 120.02 1axx n LYS 28 Ca 0.44 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.40 1axx n LYS 28 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.35 1axx n LYS 28 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1axx s VAL 29 N -2.00 3.51 -0.07 -0.18 1.01 0.17 -2.75 120.40 120.09 1axx s VAL 29 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1axx s VAL 29 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1axx s VAL 29 CO 0.00 0.60 -0.06 -0.31 0.00 0.00 0.00 175.10 175.32 1axx s TYR 30 N -0.78 1.10 -0.10 5.22 1.51 0.00 -0.68 117.35 123.63 1axx s TYR 30 Ca 0.12 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 1axx s TYR 30 Cb -0.11 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 1axx s TYR 30 CO 0.01 -0.33 0.35 0.34 -1.11 0.00 0.00 175.55 174.81 1axx s ASP 31 N 1.31 6.59 -0.11 2.29 -1.08 -1.07 -0.89 116.67 123.71 1axx s ASP 31 Ca -0.04 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 52.84 1axx s ASP 31 Cb -0.14 -2.22 0.28 0.00 -1.46 0.00 0.00 42.92 39.38 1axx s ASP 31 CO -0.03 0.17 1.14 0.18 0.52 0.00 0.00 175.17 177.15 1axx n LEU 32 N 2.97 1.89 -0.07 -1.34 4.77 -1.08 -4.82 117.00 119.31 1axx n LEU 32 Ca -0.12 -2.80 0.08 0.00 -0.03 0.00 0.00 56.01 53.14 1axx n LEU 32 Cb 0.52 -0.34 0.44 0.00 -2.33 0.00 0.00 43.42 41.71 1axx n LEU 32 CO 0.39 0.77 1.18 0.74 -1.33 0.00 0.00 177.39 179.14 1axx h THR 33 N 2.08 1.01 -0.59 -5.08 2.02 -1.93 0.22 112.91 110.63 1axx h THR 33 Ca -0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1axx h THR 33 Cb 1.15 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1axx h THR 33 CO 0.01 0.10 0.00 0.29 0.37 0.00 0.00 175.52 176.29 1axx n LYS 34 N -4.47 3.27 0.00 6.66 4.76 -1.26 -4.41 118.16 122.71 1axx n LYS 34 Ca 0.07 -2.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 1axx n LYS 34 Cb 0.22 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1axx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1axx n PHE 35 N 1.04 0.00 -0.07 2.13 7.35 0.48 -4.78 117.46 123.62 1axx n PHE 35 Ca 0.23 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.86 1axx n PHE 35 Cb 0.74 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.53 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 -0.84 -0.29 -2.13 3.38 -0.96 0.28 115.31 114.76 1axx h LEU 36 Ca 0.00 0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1axx h LEU 36 Cb 0.03 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1axx h LEU 36 CO 0.00 -0.17 -0.83 -0.08 0.09 0.00 0.00 178.44 177.45 1axx h GLU 37 N -0.16 0.41 -0.92 1.13 4.81 -1.88 -2.60 114.58 115.36 1axx h GLU 37 Ca 0.04 -0.38 0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1axx h GLU 37 Cb 0.26 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1axx h GLU 37 CO -0.28 1.04 0.59 0.93 -0.73 0.00 0.00 179.01 180.57 1axx h GLU 38 N 0.26 0.95 -6.06 1.92 4.39 -1.78 -3.43 114.58 110.82 1axx h GLU 38 Ca -0.05 -0.06 -0.74 0.00 0.34 0.00 0.00 59.36 58.85 1axx h GLU 38 Cb 1.44 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1axx h GLU 38 CO 0.14 0.63 1.11 1.58 -1.16 0.00 0.00 179.01 181.31 1axx n HIS 39 N -4.52 1.73 -2.03 4.33 -0.00 0.97 -4.79 115.22 110.91 1axx n HIS 39 Ca 0.15 0.57 -0.29 0.00 0.46 0.00 0.00 57.72 58.61 1axx n HIS 39 Cb 0.26 -2.42 -0.06 0.00 -0.12 0.00 0.00 29.99 27.65 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 6.44 1.62 0.00 1.57 -0.04 -1.26 -0.65 135.00 142.68 1axx n PRO 40 Ca 0.37 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 1axx n PRO 40 Cb 0.10 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 29.87 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 5.72 0.94 0.00 0.55 0.00 -1.26 -5.17 105.19 105.98 1axx n GLY 41 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 2.99 0.07 -0.02 0.00 0.17 -4.86 105.19 103.54 1axx n GLY 42 Ca 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.02 -0.38 1.61 4.81 -1.74 -3.38 114.58 115.48 1axx h GLU 43 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1axx h GLU 43 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1axx h GLU 43 CO 0.00 0.44 -0.08 1.49 -0.73 0.00 0.00 179.01 180.12 1axx h GLU 44 N -0.99 0.01 -1.04 1.92 4.81 -1.92 0.31 114.58 117.68 1axx h GLU 44 Ca -0.00 -0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.49 1axx h GLU 44 Cb 0.46 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.74 1axx h GLU 44 CO 0.00 0.01 0.67 -0.39 -0.73 0.00 0.00 179.01 178.56 1axx h VAL 45 N 0.01 0.52 0.05 0.32 -1.51 -1.89 0.40 116.25 114.15 1axx h VAL 45 Ca 0.18 -0.14 -0.12 0.00 -1.23 0.00 0.00 66.70 65.39 1axx h VAL 45 Cb 0.27 0.08 0.01 0.00 -2.13 0.00 0.00 31.29 29.52 1axx h VAL 45 CO -0.38 0.07 -0.52 -0.07 -1.23 0.00 0.00 177.57 175.45 1axx h LEU 46 N 0.41 0.36 -0.77 4.19 -0.00 -0.69 -3.34 115.31 115.48 1axx h LEU 46 Ca 0.60 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1axx h LEU 46 Cb 1.50 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1axx h LEU 46 CO -0.31 1.20 0.00 -1.14 -0.00 0.00 0.00 178.44 178.19 1axx n ARG 47 N -4.30 0.19 -0.07 1.13 0.00 0.13 -3.60 116.66 110.14 1axx n ARG 47 Ca -0.12 0.44 -0.11 0.00 -0.00 0.00 0.00 57.85 58.07 1axx n ARG 47 Cb 0.67 -1.89 -0.06 0.00 0.00 0.00 0.00 32.46 31.19 1axx n ARG 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1axx h GLU 48 N 0.00 -0.39 0.00 -0.14 4.39 -0.43 -3.35 114.58 114.66 1axx h GLU 48 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1axx h GLU 48 Cb 0.34 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1axx h GLU 48 CO 0.00 -0.26 -0.32 1.04 -1.16 0.00 0.00 179.01 178.31 1axx n GLN 49 N -5.42 0.19 -1.36 2.33 1.13 -1.25 -5.12 117.38 107.87 1axx n GLN 49 Ca -0.02 0.14 0.16 0.00 -1.94 0.00 0.00 57.00 55.34 1axx n GLN 49 Cb 0.36 -0.90 -0.08 0.00 0.11 0.00 0.00 30.24 29.73 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 -3.10 -3.58 -3.83 -1.58 0.00 -1.24 -4.88 120.51 102.31 1axx n ALA 50 Ca -0.04 0.77 -0.30 0.00 0.00 0.00 0.00 53.44 53.86 1axx n ALA 50 Cb 0.17 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.18 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 -4.17 -0.76 0.00 0.00 0.00 0.15 -4.87 105.19 95.53 1axx n GLY 51 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.67 -0.19 3.39 -0.02 0.00 -1.26 -4.09 105.19 101.35 1axx n GLY 52 Ca -0.14 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1axx n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1axx n ASP 53 N 0.00 2.29 0.00 1.61 5.75 -1.26 -1.87 116.55 123.07 1axx n ASP 53 Ca 0.00 -2.63 0.08 0.00 -0.01 0.00 0.00 54.79 52.23 1axx n ASP 53 Cb 0.00 -1.30 0.47 0.00 -1.03 0.00 0.00 41.12 39.26 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1axx n ALA 54 N 11.76 2.34 -0.24 2.12 0.00 -1.19 -3.63 120.51 131.68 1axx n ALA 54 Ca 0.46 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.83 1axx n ALA 54 Cb 0.44 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 18.75 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 0.37 -0.56 0.00 2.02 -1.82 0.31 112.91 113.23 1axx h THR 55 Ca 0.00 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.26 1axx h THR 55 Cb 0.00 0.29 -0.11 0.00 -1.74 0.00 0.00 68.15 66.59 1axx h THR 55 CO 0.00 0.01 -0.27 1.05 0.37 0.00 0.00 175.52 176.69 1axx h GLU 56 N 0.07 -0.12 -0.17 6.66 -0.00 -1.92 0.22 114.58 119.32 1axx h GLU 56 Ca 0.37 0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 59.66 1axx h GLU 56 Cb 0.61 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 29.39 1axx h GLU 56 CO -0.65 -0.08 -0.18 -0.97 -0.00 0.00 0.00 179.01 177.13 1axx h ASN 57 N -0.13 0.45 -0.57 3.06 -0.73 -1.59 0.11 115.58 116.18 1axx h ASN 57 Ca 0.24 -0.48 0.07 0.00 1.87 0.00 0.00 56.30 58.00 1axx h ASN 57 Cb 0.52 -0.13 -0.06 0.00 0.27 0.00 0.00 38.32 38.92 1axx h ASN 57 CO -0.63 0.84 0.26 0.15 -0.37 0.00 0.00 177.43 177.68 1axx h PHE 58 N 0.06 0.47 0.00 0.67 3.57 -0.45 -2.48 116.94 118.79 1axx h PHE 58 Ca 0.03 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1axx h PHE 58 Cb 0.72 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1axx h PHE 58 CO 0.08 0.19 -0.78 0.93 -2.23 0.00 0.00 178.31 176.50 1axx h GLU 59 N 0.49 0.00 -0.40 1.11 4.39 -0.51 0.26 114.58 119.93 1axx h GLU 59 Ca 0.27 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1axx h GLU 59 Cb 0.24 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.81 1axx h GLU 59 CO -0.22 0.78 -0.14 0.22 -1.16 0.00 0.00 179.01 178.49 1axx h ASP 60 N 0.00 -0.48 0.80 1.42 3.58 -0.32 -0.50 116.42 120.91 1axx h ASP 60 Ca -0.01 0.13 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 1axx h ASP 60 Cb 1.47 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 42.79 1axx h ASP 60 CO 0.10 -0.17 -0.80 0.58 -2.88 0.00 0.00 179.24 176.07 1axx h VAL 61 N -0.05 1.57 0.00 2.25 2.07 -1.46 -3.48 116.25 117.15 1axx h VAL 61 Ca 0.19 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1axx h VAL 61 Cb 0.35 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1axx h VAL 61 CO -0.44 0.78 0.00 0.61 0.02 0.00 0.00 177.57 178.54 1axx n GLY 62 N 0.76 2.02 1.21 2.17 0.00 0.91 -4.96 105.19 107.30 1axx n GLY 62 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.33 -3.82 1.61 8.25 -1.25 -4.42 115.22 112.26 1axx n HIS 63 Ca 0.00 1.78 0.00 0.00 -0.26 0.00 0.00 57.72 59.25 1axx n HIS 63 Cb 0.00 -2.91 0.01 0.00 1.12 0.00 0.00 29.99 28.21 1axx n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1axx n SER 64 N -1.29 -0.61 -3.14 0.41 2.88 -1.26 -4.86 113.62 105.75 1axx n SER 64 Ca 0.00 -1.21 -0.22 0.00 -1.33 0.00 0.00 58.87 56.11 1axx n SER 64 Cb 0.09 0.97 0.01 0.00 -0.75 0.00 0.00 64.21 64.53 1axx n SER 64 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1axx n THR 65 N -0.38 -1.29 0.00 2.46 -1.04 -1.26 -3.74 114.28 109.03 1axx n THR 65 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1axx n THR 65 Cb 0.26 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 1axx n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1axx n ASP 66 N -2.31 0.00 -0.32 8.00 8.00 -1.26 -4.97 116.55 123.69 1axx n ASP 66 Ca -0.06 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.58 1axx n ASP 66 Cb 0.58 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 42.06 1axx n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axx h ALA 67 N 0.00 1.85 -0.99 2.24 0.00 -1.94 0.70 119.26 121.11 1axx h ALA 67 Ca 0.00 0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.22 1axx h ALA 67 Cb 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 17.53 1axx h ALA 67 CO 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 1axx h ARG 68 N 0.67 0.00 0.04 0.00 3.08 -1.89 0.33 114.38 116.61 1axx h ARG 68 Ca 0.53 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.23 1axx h ARG 68 Cb 0.95 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 1axx h ARG 68 CO -0.29 0.00 -2.11 -0.85 -1.07 0.00 0.00 179.97 175.64 1axx n GLU 69 N -5.52 0.69 -0.04 0.04 -0.00 0.05 -4.31 120.64 111.56 1axx n GLU 69 Ca 0.22 0.20 -0.10 0.00 -0.00 0.00 0.00 57.16 57.48 1axx n GLU 69 Cb 0.72 -1.65 -0.04 0.00 -0.00 0.00 0.00 31.44 30.47 1axx n GLU 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1axx h LEU 70 N 0.03 0.23 -0.65 -1.84 5.85 -0.16 -1.00 115.31 117.77 1axx h LEU 70 Ca -0.45 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.38 1axx h LEU 70 Cb 2.03 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.90 1axx h LEU 70 CO 0.03 0.18 0.06 0.28 -0.34 0.00 0.00 178.44 178.65 1axx h SER 71 N 0.26 -0.17 -0.65 1.25 0.02 -0.62 0.61 113.55 114.26 1axx h SER 71 Ca 0.07 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1axx h SER 71 Cb -0.01 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1axx h SER 71 CO -0.01 -0.08 0.33 0.11 -1.14 0.00 0.00 176.83 176.04 1axx h LYS 72 N 0.17 0.59 -0.26 3.45 6.56 -1.40 0.20 116.57 125.88 1axx h LYS 72 Ca 0.35 -0.04 0.08 0.00 -1.06 0.00 0.00 60.65 59.98 1axx h LYS 72 Cb 0.57 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1axx h LYS 72 CO -0.51 0.39 0.31 1.15 -2.06 0.00 0.00 179.45 178.73 1axx h THR 73 N 0.61 0.39 -0.37 -0.16 2.02 -0.10 -0.68 112.91 114.61 1axx h THR 73 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1axx h THR 73 Cb 0.24 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1axx h THR 73 CO -0.21 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.46 1axx n TYR 74 N -3.69 0.47 -2.15 3.16 4.01 0.61 -4.99 117.16 114.59 1axx n TYR 74 Ca 0.04 -0.23 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 1axx n TYR 74 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.53 2.95 -0.11 -0.72 2.07 -0.27 -2.59 121.20 121.01 1axx s ILE 75 Ca 0.38 0.83 0.24 0.00 -1.41 0.00 0.00 60.65 60.70 1axx s ILE 75 Cb 0.23 -3.53 0.46 0.00 0.13 0.00 0.00 42.46 39.75 1axx s ILE 75 CO 0.32 0.15 1.15 2.30 -1.91 0.00 0.00 174.94 176.94 1axx n ILE 76 N 2.08 0.50 -0.25 2.00 -6.64 0.15 -4.90 119.36 112.30 1axx n ILE 76 Ca 0.05 -1.75 0.00 0.00 -1.77 0.00 0.00 62.75 59.28 1axx n ILE 76 Cb 0.42 1.12 0.00 0.00 -1.44 0.00 0.00 39.64 39.74 1axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1axx n GLY 77 N 0.05 0.86 3.46 3.28 0.00 -1.22 -4.64 105.19 106.97 1axx n GLY 77 Ca 0.06 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1axx s GLU 78 N -2.00 1.61 0.14 1.61 -1.05 -1.18 -0.65 118.70 117.18 1axx s GLU 78 Ca 0.00 -1.55 -0.31 0.00 -0.15 0.00 0.00 54.97 52.96 1axx s GLU 78 Cb 0.00 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1axx s GLU 78 CO 0.00 -0.64 1.67 -0.51 0.95 0.00 0.00 175.26 176.73 1axx s LEU 79 N -3.14 4.37 0.26 1.83 1.43 -1.26 -0.56 118.68 121.61 1axx s LEU 79 Ca 0.30 2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 1axx s LEU 79 Cb 0.01 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.51 1axx s LEU 79 CO 0.14 -0.91 1.09 1.57 0.23 0.00 0.00 176.35 178.47 1axx n HIS 80 N 4.69 1.39 0.30 0.29 -0.00 0.35 -4.75 115.22 117.48 1axx n HIS 80 Ca 0.16 0.67 0.15 0.00 -0.00 0.00 0.00 57.72 58.69 1axx n HIS 80 Cb 0.38 -2.28 0.68 0.00 -0.00 0.00 0.00 29.99 28.77 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 2.49 0.00 -0.97 1.57 0.13 -1.91 -2.43 132.00 130.88 1axx h PRO 81 Ca -0.41 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.91 1axx h PRO 81 Cb 1.33 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 1axx h PRO 81 CO 0.64 0.00 -0.25 -3.47 -0.23 0.00 0.00 178.00 174.69 1axx n ASP 82 N -2.56 -0.36 -1.07 1.44 2.03 -1.26 -0.75 116.55 114.03 1axx n ASP 82 Ca -0.00 1.67 0.09 0.00 0.52 0.00 0.00 54.79 57.08 1axx n ASP 82 Cb 0.16 -0.50 0.26 0.00 -0.72 0.00 0.00 41.12 40.32 1axx n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1axx n ASP 83 N -5.58 3.11 -0.06 1.67 2.03 -0.92 -4.31 116.55 112.50 1axx n ASP 83 Ca 0.15 -2.00 -0.15 0.00 0.52 0.00 0.00 54.79 53.32 1axx n ASP 83 Cb 0.48 -0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 1axx n ASP 83 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1axx h ARG 84 N 3.41 0.66 -1.02 -0.67 3.08 -1.06 -3.27 114.38 115.51 1axx h ARG 84 Ca 0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1axx h ARG 84 Cb 0.78 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1axx h ARG 84 CO 0.00 1.06 0.00 -1.13 -1.07 0.00 0.00 179.97 178.83 1axx n SER 85 N -4.20 2.91 -1.33 7.04 3.41 -1.26 -3.21 113.62 116.99 1axx n SER 85 Ca -0.06 -1.95 -0.03 0.00 -0.26 0.00 0.00 58.87 56.57 1axx n SER 85 Cb 0.56 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1axx n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1axx n LYS 86 N 0.51 0.30 -1.63 4.33 0.00 -1.24 -5.13 118.16 115.30 1axx n LYS 86 Ca 0.00 -0.56 -0.50 0.00 0.00 0.00 0.00 58.31 57.25 1axx n LYS 86 Cb 0.49 0.38 -0.05 0.00 0.00 0.00 0.00 35.03 35.84 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 -0.34 0.44 -3.63 3.15 5.41 -1.20 -4.93 119.36 118.26 1axx n ILE 87 Ca -0.12 -0.16 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 1axx n ILE 87 Cb 0.57 -1.78 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 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 5.00 -1.89 0.09 -1.39 0.00 -1.26 -5.16 121.76 117.15 1axx s ALA 88 Ca 0.98 1.97 -0.19 0.00 0.00 0.00 0.00 51.96 54.72 1axx s ALA 88 Cb -0.76 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.07 1axx s ALA 88 CO 0.52 -0.29 0.47 0.15 0.00 0.00 0.00 175.76 176.61 1axx s LYS 89 N 0.38 1.06 0.92 0.00 1.02 -1.26 -5.17 119.74 116.69 1axx s LYS 89 Ca 0.01 -0.46 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1axx s LYS 89 Cb -0.05 0.48 0.14 0.00 -0.52 0.00 0.00 37.83 37.88 1axx s LYS 89 CO -0.04 -0.41 1.09 -1.25 -0.92 0.00 0.00 175.35 173.83 1axx s PRO 90 N -3.14 1.03 -0.10 -1.68 0.04 -1.26 -5.07 135.00 124.83 1axx s PRO 90 Ca -0.01 0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1axx s PRO 90 Cb 0.00 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1axx s PRO 90 CO -0.07 -2.38 -0.19 0.45 0.04 0.00 0.00 177.00 174.84 1axx s SER 91 N -3.40 2.65 0.15 6.66 0.15 -1.26 -5.14 113.70 113.51 1axx s SER 91 Ca 0.64 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1axx s SER 91 Cb -0.18 -1.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1axx s SER 91 CO 0.57 0.09 0.10 -1.61 1.20 0.00 0.00 173.24 173.60 1axx s GLU 92 N 0.59 2.80 0.00 5.44 0.41 -1.26 -5.12 118.70 121.56 1axx s GLU 92 Ca -0.14 -0.88 -0.18 0.00 -0.41 0.00 0.00 54.97 53.36 1axx s GLU 92 Cb -0.17 -2.61 -0.06 0.00 -1.78 0.00 0.00 34.13 29.52 1axx s GLU 92 CO 0.05 0.49 0.50 0.99 -0.49 0.00 0.00 175.26 176.79 1axx s THR 93 N -1.68 4.95 0.00 3.63 2.01 -1.26 -5.15 115.64 118.14 1axx s THR 93 Ca 0.30 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1axx s THR 93 Cb -0.10 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1axx s THR 93 CO 0.22 0.50 0.00 0.18 -0.69 0.00 0.00 174.62 174.84