#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 -2.53 0.00 -1.24 5.02 -1.26 -4.88 118.16 113.27 1axx n LYS 2 Ca 0.00 2.21 0.06 0.00 -2.02 0.00 0.00 58.31 58.56 1axx n LYS 2 Cb 0.00 -5.65 0.28 0.00 -0.02 0.00 0.00 35.03 29.65 1axx n LYS 2 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1axx n ASP 3 N -0.17 0.00 -3.14 4.39 5.75 -1.26 -4.67 116.55 117.45 1axx n ASP 3 Ca 0.10 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1axx n ASP 3 Cb 0.40 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1axx n ASP 3 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1axx n VAL 4 N -1.28 0.00 -2.72 2.12 0.24 -1.26 -4.95 118.33 110.48 1axx n VAL 4 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.30 1axx n VAL 4 Cb 0.09 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.50 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 0.46 -1.81 7.34 5.02 -1.14 -4.77 118.16 123.26 1axx n LYS 5 Ca 0.00 -1.42 -0.43 0.00 -2.02 0.00 0.00 58.31 54.44 1axx n LYS 5 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.66 1.53 0.08 2.13 2.02 -1.26 -1.80 117.35 120.70 1axx s TYR 6 Ca 0.29 0.27 0.06 0.00 -0.37 0.00 0.00 57.07 57.32 1axx s TYR 6 Cb 0.15 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.63 1axx s TYR 6 CO -0.14 -4.07 -0.16 0.71 -1.57 0.00 0.00 175.55 170.33 1axx s TYR 7 N 6.21 1.35 0.75 2.71 2.02 -0.14 -4.78 117.35 125.47 1axx s TYR 7 Ca 0.87 -0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 1axx s TYR 7 Cb -0.32 -0.75 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 1axx s TYR 7 CO 0.35 0.09 1.10 0.95 -1.57 0.00 0.00 175.55 176.47 1axx s THR 8 N -1.24 2.45 0.03 -0.71 -4.23 -1.26 -0.20 115.64 110.48 1axx s THR 8 Ca -0.00 0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.34 1axx s THR 8 Cb -0.10 -3.12 -0.10 0.00 1.34 0.00 0.00 72.50 70.52 1axx s THR 8 CO 0.03 -0.14 1.24 -0.07 -0.54 0.00 0.00 174.62 175.13 1axx h LEU 9 N -0.81 -0.58 -0.75 4.79 -0.00 -1.99 -2.67 115.31 113.30 1axx h LEU 9 Ca -0.45 0.02 0.17 0.00 -0.00 0.00 0.00 57.88 57.61 1axx h LEU 9 Cb 1.31 0.15 -0.12 0.00 -0.00 0.00 0.00 40.66 42.00 1axx h LEU 9 CO 0.64 -0.40 0.16 -0.33 -0.00 0.00 0.00 178.44 178.50 1axx h GLU 10 N -0.71 0.23 -0.12 1.13 5.08 -1.96 0.25 114.58 118.49 1axx h GLU 10 Ca -0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1axx h GLU 10 Cb 0.52 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1axx h GLU 10 CO 0.11 0.15 -0.38 1.49 -1.00 0.00 0.00 179.01 179.39 1axx h GLU 11 N 0.24 -0.37 -0.18 2.33 4.57 -1.95 -0.97 114.58 118.24 1axx h GLU 11 Ca 0.43 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.60 1axx h GLU 11 Cb 0.75 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1axx h GLU 11 CO -0.55 -0.25 -0.05 0.82 -1.18 0.00 0.00 179.01 177.81 1axx h ILE 12 N -0.39 1.15 -0.00 2.32 1.08 -0.87 -0.99 117.51 119.81 1axx h ILE 12 Ca 0.03 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1axx h ILE 12 Cb 0.46 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1axx h ILE 12 CO -0.32 0.20 0.00 -0.61 -0.69 0.00 0.00 178.15 176.74 1axx h GLN 13 N 0.27 0.00 0.15 2.37 4.15 0.37 0.19 115.11 122.61 1axx h GLN 13 Ca 0.06 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.20 1axx h GLN 13 Cb 0.27 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.99 1axx h GLN 13 CO 0.01 0.00 -1.17 0.87 -1.93 0.00 0.00 178.83 176.61 1axx h LYS 14 N 0.00 0.54 -4.20 1.69 1.57 0.11 -3.41 116.57 112.87 1axx h LYS 14 Ca 0.00 -0.77 -0.67 0.00 -1.87 0.00 0.00 60.65 57.33 1axx h LYS 14 Cb 0.01 0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1axx h LYS 14 CO -0.00 1.35 2.74 0.72 -0.57 0.00 0.00 179.45 183.69 1axx n HIS 15 N -3.87 2.66 -2.05 -1.35 8.25 0.06 -4.11 115.22 114.81 1axx n HIS 15 Ca -0.14 -2.39 -0.06 0.00 -0.26 0.00 0.00 57.72 54.87 1axx n HIS 15 Cb 0.96 -2.12 -0.06 0.00 1.12 0.00 0.00 29.99 29.88 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 6.45 0.02 -4.08 -0.41 2.85 -1.19 -0.99 118.16 120.81 1axx n LYS 16 Ca 0.51 -1.09 -0.13 0.00 -1.05 0.00 0.00 58.31 56.55 1axx n LYS 16 Cb 0.39 0.45 -0.05 0.00 -0.65 0.00 0.00 35.03 35.17 1axx n LYS 16 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1axx s ASP 17 N -1.09 0.68 0.00 -5.58 -4.77 -1.26 -4.91 116.67 99.74 1axx s ASP 17 Ca 0.03 -1.38 0.00 0.00 -3.30 0.00 0.00 52.55 47.90 1axx s ASP 17 Cb 0.04 0.62 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 1axx s ASP 17 CO -0.02 -1.23 0.00 -1.20 0.70 0.00 0.00 175.17 173.43 1axx n SER 18 N -1.13 0.00 0.00 2.11 7.64 -1.26 -2.68 113.62 118.30 1axx n SER 18 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1axx n SER 18 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 0.00 -0.82 1.43 4.81 -1.26 -5.04 118.16 117.27 1axx n LYS 19 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1axx n LYS 19 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1axx n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1axx n SER 20 N -0.77 1.72 -4.59 3.14 7.64 -1.09 -4.76 113.62 114.90 1axx n SER 20 Ca 0.00 -2.58 -0.42 0.00 1.01 0.00 0.00 58.87 56.87 1axx n SER 20 Cb 0.00 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1axx s THR 21 N 6.23 3.98 0.15 0.44 2.01 -1.26 -3.16 115.64 124.03 1axx s THR 21 Ca 0.64 0.93 0.06 0.00 0.31 0.00 0.00 61.69 63.63 1axx s THR 21 Cb 0.14 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1axx s THR 21 CO 0.24 -1.10 0.00 0.26 -0.69 0.00 0.00 174.62 173.33 1axx s TRP 22 N 5.21 2.90 0.04 4.92 0.52 -0.16 -3.05 118.94 129.32 1axx s TRP 22 Ca 0.50 -0.10 -0.02 0.00 0.02 0.00 0.00 56.10 56.50 1axx s TRP 22 Cb -0.09 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1axx s TRP 22 CO 0.28 0.50 0.00 0.14 0.02 0.00 0.00 176.95 177.89 1axx s VAL 23 N -1.58 0.17 -0.24 4.03 -7.23 -1.09 -0.80 120.40 113.65 1axx s VAL 23 Ca 0.27 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1axx s VAL 23 Cb -0.10 -0.99 0.05 0.00 0.56 0.00 0.00 36.38 35.90 1axx s VAL 23 CO 0.18 -0.75 -0.13 0.27 -0.31 0.00 0.00 175.10 174.36 1axx s ILE 24 N -2.87 2.14 -0.33 -0.62 -5.25 -1.26 -0.83 121.20 112.17 1axx s ILE 24 Ca -0.03 -1.47 -0.01 0.00 -0.99 0.00 0.00 60.65 58.15 1axx s ILE 24 Cb 0.00 -2.17 0.07 0.00 2.95 0.00 0.00 42.46 43.31 1axx s ILE 24 CO -0.06 0.11 0.06 -0.76 -1.79 0.00 0.00 174.94 172.50 1axx s LEU 25 N 1.15 4.37 -0.89 0.37 1.43 0.40 -3.34 118.68 122.16 1axx s LEU 25 Ca -0.06 -1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 51.43 1axx s LEU 25 Cb -0.18 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1axx s LEU 25 CO -0.07 -0.35 0.77 1.41 0.23 0.00 0.00 176.35 178.34 1axx n HIS 26 N 4.58 -1.99 -1.45 0.29 8.25 -1.26 -3.27 115.22 120.36 1axx n HIS 26 Ca -0.08 0.72 -0.16 0.00 -0.26 0.00 0.00 57.72 57.94 1axx n HIS 26 Cb 0.43 -4.00 -0.07 0.00 1.12 0.00 0.00 29.99 27.47 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 -3.07 -0.01 -4.95 4.41 8.25 -1.26 -4.95 115.22 113.64 1axx n HIS 27 Ca -0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.07 1axx n HIS 27 Cb 0.61 -3.10 -0.17 0.00 1.12 0.00 0.00 29.99 28.45 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 -3.32 2.56 -0.14 -0.41 1.02 -1.20 -0.63 119.74 117.61 1axx s LYS 28 Ca 0.00 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1axx s LYS 28 Cb 0.00 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1axx s LYS 28 CO 0.00 0.11 0.26 0.08 -0.92 0.00 0.00 175.35 174.89 1axx s VAL 29 N 0.49 5.31 -0.06 3.17 1.01 0.14 -0.45 120.40 130.01 1axx s VAL 29 Ca -0.17 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1axx s VAL 29 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1axx s VAL 29 CO 0.06 0.45 -0.25 -0.31 0.00 0.00 0.00 175.10 175.05 1axx s TYR 30 N 0.08 2.45 -0.36 5.22 1.51 -0.01 -1.07 117.35 125.17 1axx s TYR 30 Ca 0.16 -0.78 -0.21 0.00 -1.01 0.00 0.00 57.07 55.23 1axx s TYR 30 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1axx s TYR 30 CO 0.04 -0.25 0.66 0.34 -1.11 0.00 0.00 175.55 175.23 1axx s ASP 31 N -0.08 6.45 -0.16 2.29 2.15 -0.61 -2.69 116.67 124.03 1axx s ASP 31 Ca -0.06 0.20 0.17 0.00 0.43 0.00 0.00 52.55 53.29 1axx s ASP 31 Cb -0.14 -2.34 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 1axx s ASP 31 CO 0.05 -0.62 1.28 0.18 -0.17 0.00 0.00 175.17 175.89 1axx n LEU 32 N 6.11 3.07 0.25 -1.34 4.77 -1.17 -4.77 117.00 123.92 1axx n LEU 32 Ca -0.00 -3.12 0.16 0.00 -0.03 0.00 0.00 56.01 53.02 1axx n LEU 32 Cb 0.48 -0.49 0.87 0.00 -2.33 0.00 0.00 43.42 41.95 1axx n LEU 32 CO 0.50 0.74 1.14 0.74 -1.33 0.00 0.00 177.39 179.18 1axx h THR 33 N 0.82 0.49 -0.23 -5.08 2.02 -1.85 0.74 112.91 109.82 1axx h THR 33 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1axx h THR 33 Cb 1.21 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1axx h THR 33 CO 0.11 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.29 1axx n LYS 34 N -3.81 2.72 0.00 6.66 5.02 -1.26 -4.55 118.16 122.94 1axx n LYS 34 Ca -0.01 -2.36 0.03 0.00 -2.02 0.00 0.00 58.31 53.95 1axx n LYS 34 Cb 0.22 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.25 0.00 0.02 2.13 7.35 0.23 -4.66 117.46 122.27 1axx n PHE 35 Ca 0.15 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.73 1axx n PHE 35 Cb 0.62 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.40 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 0.63 -0.93 -0.02 -2.13 3.38 -1.73 0.24 115.31 114.75 1axx h LEU 36 Ca 0.00 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1axx h LEU 36 Cb 0.20 0.39 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1axx h LEU 36 CO 0.00 -0.35 -0.43 -0.08 0.09 0.00 0.00 178.44 177.67 1axx h GLU 37 N -0.39 0.33 -0.83 1.13 4.22 -1.87 -2.52 114.58 114.65 1axx h GLU 37 Ca 0.09 -0.33 0.10 0.00 0.08 0.00 0.00 59.36 59.31 1axx h GLU 37 Cb 0.53 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1axx h GLU 37 CO -0.32 1.00 0.54 0.93 -2.18 0.00 0.00 179.01 178.98 1axx h GLU 38 N -0.21 0.74 -6.02 1.92 5.08 -1.77 -3.43 114.58 110.88 1axx h GLU 38 Ca -0.05 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 57.58 1axx h GLU 38 Cb 1.13 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1axx h GLU 38 CO 0.09 0.49 1.33 1.58 -1.00 0.00 0.00 179.01 181.50 1axx n HIS 39 N -4.52 1.65 -2.13 4.33 -0.00 0.82 -4.80 115.22 110.56 1axx n HIS 39 Ca 0.14 0.34 -0.30 0.00 0.46 0.00 0.00 57.72 58.37 1axx n HIS 39 Cb 0.34 -2.51 -0.05 0.00 -0.12 0.00 0.00 29.99 27.65 1axx n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1axx s PRO 40 N 5.78 2.70 0.00 1.57 0.04 -1.26 -0.64 135.00 143.18 1axx s PRO 40 Ca 1.08 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1axx s PRO 40 Cb -0.94 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 28.35 1axx s PRO 40 CO 0.53 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 174.32 1axx n GLY 41 N 5.95 0.59 0.00 0.56 0.00 -1.26 -5.16 105.19 105.87 1axx n GLY 41 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 2.48 0.10 -0.02 0.00 0.19 -4.86 105.19 103.07 1axx n GLY 42 Ca 0.00 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.36 1.61 4.81 -1.73 -3.36 114.58 115.64 1axx h GLU 43 Ca 0.00 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1axx h GLU 43 Cb 0.00 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1axx h GLU 43 CO 0.00 1.07 0.17 1.49 -0.73 0.00 0.00 179.01 181.01 1axx h GLU 44 N -0.76 0.34 -0.87 1.92 4.81 -1.91 0.53 114.58 118.63 1axx h GLU 44 Ca -0.20 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.21 1axx h GLU 44 Cb 1.35 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 1axx h GLU 44 CO -0.04 0.22 0.38 -0.39 -0.73 0.00 0.00 179.01 178.46 1axx h VAL 45 N 0.35 0.52 -0.55 0.32 -1.51 -1.89 0.27 116.25 113.75 1axx h VAL 45 Ca 0.15 -0.15 -0.08 0.00 -1.23 0.00 0.00 66.70 65.40 1axx h VAL 45 Cb 0.08 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.27 1axx h VAL 45 CO -0.12 0.08 0.03 -0.07 -1.23 0.00 0.00 177.57 176.26 1axx h LEU 46 N 0.43 0.88 0.00 4.19 -0.00 -0.23 -3.16 115.31 117.42 1axx h LEU 46 Ca 0.53 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1axx h LEU 46 Cb 0.96 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1axx h LEU 46 CO -0.50 0.92 -0.22 0.54 -0.00 0.00 0.00 178.44 179.18 1axx n ARG 47 N -4.21 0.02 0.11 1.13 1.74 0.47 -3.52 116.66 112.41 1axx n ARG 47 Ca 0.03 0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1axx n ARG 47 Cb 0.30 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.33 0.00 5.56 4.39 -0.58 -3.35 114.58 120.26 1axx h GLU 48 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1axx h GLU 48 Cb 0.52 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1axx h GLU 48 CO 0.00 0.01 -0.86 1.04 -1.16 0.00 0.00 179.01 178.05 1axx n GLN 49 N -5.02 0.32 -1.30 2.33 1.13 -1.26 -4.96 117.38 108.61 1axx n GLN 49 Ca -0.08 0.04 -0.45 0.00 -1.94 0.00 0.00 57.00 54.58 1axx n GLN 49 Cb 0.26 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.86 -2.75 -3.54 -1.58 0.00 -1.23 -2.25 120.51 107.30 1axx n ALA 50 Ca 0.02 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 1axx n ALA 50 Cb 0.45 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 1.85 -0.82 0.00 0.00 0.00 0.02 -4.80 105.19 101.43 1axx n GLY 51 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.48 0.33 2.56 -0.02 0.00 -0.95 -4.53 105.19 101.09 1axx n GLY 52 Ca -0.15 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 1axx n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1axx s ASP 53 N 2.00 3.51 0.00 1.61 1.01 -1.22 -4.62 116.67 118.96 1axx s ASP 53 Ca 0.00 -1.54 0.28 0.00 0.71 0.00 0.00 52.55 52.00 1axx s ASP 53 Cb 0.00 -0.45 1.12 0.00 1.01 0.00 0.00 42.92 44.60 1axx s ASP 53 CO 0.00 -0.41 1.84 0.00 0.21 0.00 0.00 175.17 176.81 1axx n ALA 54 N 4.92 2.59 0.00 5.23 0.00 -1.21 -4.07 120.51 127.98 1axx n ALA 54 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 1axx n ALA 54 Cb 0.41 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 0.03 0.00 -0.86 0.00 2.02 -1.93 0.13 112.91 112.29 1axx h THR 55 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1axx h THR 55 Cb 0.48 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.75 1axx h THR 55 CO 0.00 0.00 -0.33 -0.62 0.37 0.00 0.00 175.52 174.94 1axx n GLU 56 N -3.86 -0.20 -0.00 6.66 4.71 -1.26 -0.40 120.64 126.28 1axx n GLU 56 Ca -0.03 1.33 -0.13 0.00 -0.01 0.00 0.00 57.16 58.32 1axx n GLU 56 Cb 0.17 -1.98 -0.09 0.00 -1.01 0.00 0.00 31.44 28.53 1axx n GLU 56 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1axx h ASN 57 N 0.00 -0.00 -0.92 1.62 -0.73 -1.68 0.14 115.58 114.00 1axx h ASN 57 Ca 0.31 -0.40 0.14 0.00 1.87 0.00 0.00 56.30 58.21 1axx h ASN 57 Cb 0.52 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.02 1axx h ASN 57 CO -0.86 0.40 0.53 0.15 -0.37 0.00 0.00 177.43 177.28 1axx h PHE 58 N -0.41 0.95 0.11 0.67 3.04 0.17 -2.24 116.94 119.22 1axx h PHE 58 Ca -0.00 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.69 1axx h PHE 58 Cb 0.41 -0.28 0.03 0.00 2.56 0.00 0.00 35.95 38.66 1axx h PHE 58 CO 0.07 0.29 -1.22 0.93 -2.02 0.00 0.00 178.31 176.36 1axx h GLU 59 N 0.78 0.61 -0.89 1.11 4.39 -0.60 0.18 114.58 120.17 1axx h GLU 59 Ca 0.48 -0.80 0.19 0.00 0.34 0.00 0.00 59.36 59.57 1axx h GLU 59 Cb 0.61 0.26 -0.11 0.00 -0.10 0.00 0.00 28.75 29.41 1axx h GLU 59 CO -0.32 1.36 0.44 0.22 -1.16 0.00 0.00 179.01 179.55 1axx h ASP 60 N 0.28 0.48 0.08 1.42 3.58 -0.29 0.14 116.42 122.11 1axx h ASP 60 Ca -0.18 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1axx h ASP 60 Cb 1.89 0.06 0.00 0.00 1.72 0.00 0.00 39.33 43.00 1axx h ASP 60 CO 0.23 0.13 -0.04 0.58 -2.88 0.00 0.00 179.24 177.26 1axx h VAL 61 N 0.54 1.19 -3.59 2.25 2.07 -1.42 -3.50 116.25 113.79 1axx h VAL 61 Ca 0.52 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1axx h VAL 61 Cb 0.87 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1axx h VAL 61 CO -0.44 0.28 -0.05 0.61 0.02 0.00 0.00 177.57 177.99 1axx n GLY 62 N 0.38 -0.29 3.45 2.17 0.00 0.64 -4.99 105.19 106.54 1axx n GLY 62 Ca -0.08 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.38 -1.04 -0.80 1.61 8.25 -1.21 -4.99 115.22 115.66 1axx n HIS 63 Ca -0.00 0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 57.39 1axx n HIS 63 Cb 0.51 -1.80 0.17 0.00 1.12 0.00 0.00 29.99 29.99 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 -2.12 2.83 0.16 0.41 1.04 -1.26 -4.84 113.70 109.92 1axx s SER 64 Ca 0.59 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.80 1axx s SER 64 Cb -0.21 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.50 1axx s SER 64 CO 0.66 -3.12 1.78 0.74 0.98 0.00 0.00 173.24 174.28 1axx h THR 65 N -1.88 0.97 -0.59 2.02 2.02 -1.99 -1.61 112.91 111.84 1axx h THR 65 Ca -0.47 -0.13 0.10 0.00 0.77 0.00 0.00 66.41 66.67 1axx h THR 65 Cb 1.28 0.55 -0.11 0.00 -1.74 0.00 0.00 68.15 68.13 1axx h THR 65 CO 0.46 0.07 -0.37 0.44 0.37 0.00 0.00 175.52 176.49 1axx h ASP 66 N 0.39 -1.29 -0.35 4.18 5.19 -2.00 -0.39 116.42 122.16 1axx h ASP 66 Ca 0.16 0.24 0.06 0.00 -0.62 0.00 0.00 57.03 56.87 1axx h ASP 66 Cb 0.08 0.62 -0.05 0.00 0.18 0.00 0.00 39.33 40.15 1axx h ASP 66 CO -0.12 -0.32 0.02 0.00 -3.12 0.00 0.00 179.24 175.71 1axx h ALA 67 N 0.87 0.33 -0.47 3.45 0.00 -1.78 0.92 119.26 122.57 1axx h ALA 67 Ca 0.22 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.31 1axx h ALA 67 Cb 0.56 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1axx h ALA 67 CO -0.69 -0.38 -0.01 0.00 0.00 0.00 0.00 179.25 178.17 1axx h ARG 68 N 0.12 0.10 -0.39 0.00 3.08 -0.16 0.19 114.38 117.32 1axx h ARG 68 Ca 0.17 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 1axx h ARG 68 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1axx h ARG 68 CO -0.27 0.07 -0.31 1.05 -1.07 0.00 0.00 179.97 179.44 1axx h GLU 69 N 0.10 0.87 -0.68 0.04 4.11 -0.82 -3.16 114.58 115.04 1axx h GLU 69 Ca 0.24 -0.41 -0.03 0.00 0.07 0.00 0.00 59.36 59.22 1axx h GLU 69 Cb 0.35 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1axx h GLU 69 CO -0.40 1.06 0.29 1.25 0.07 0.00 0.00 179.01 181.27 1axx h LEU 70 N 0.73 0.91 -0.72 3.06 5.85 0.04 -2.40 115.31 122.78 1axx h LEU 70 Ca 0.08 -0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.84 1axx h LEU 70 Cb 0.87 -0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.54 1axx h LEU 70 CO 0.08 0.80 -0.02 0.28 -0.34 0.00 0.00 178.44 179.24 1axx h SER 71 N 0.98 -0.38 -0.72 1.25 0.02 -0.61 -0.67 113.55 113.42 1axx h SER 71 Ca 0.23 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.46 1axx h SER 71 Cb 0.17 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1axx h SER 71 CO -0.02 -0.17 0.37 0.11 -1.14 0.00 0.00 176.83 175.97 1axx h LYS 72 N 0.09 0.61 -0.31 3.45 1.57 -1.50 0.26 116.57 120.73 1axx h LYS 72 Ca 0.38 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.22 1axx h LYS 72 Cb 0.65 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1axx h LYS 72 CO -0.65 0.40 0.31 1.15 -0.57 0.00 0.00 179.45 180.09 1axx h THR 73 N 0.63 0.50 -0.01 -0.16 2.02 -1.17 -1.14 112.91 113.58 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 0.35 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1axx h THR 73 CO -0.26 0.00 -0.67 -1.22 0.37 0.00 0.00 175.52 173.74 1axx n TYR 74 N -3.89 0.00 -2.02 3.16 4.01 0.72 -4.96 117.16 114.18 1axx n TYR 74 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1axx n TYR 74 Cb 0.46 -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 -2.67 3.28 -0.26 -0.72 2.07 -0.13 -1.57 121.20 121.19 1axx s ILE 75 Ca 0.15 0.67 -0.10 0.00 -1.41 0.00 0.00 60.65 59.96 1axx s ILE 75 Cb 0.17 -3.43 -0.15 0.00 0.13 0.00 0.00 42.46 39.18 1axx s ILE 75 CO 0.68 -0.01 -0.24 2.30 -1.91 0.00 0.00 174.94 175.77 1axx n ILE 76 N 4.79 1.53 0.00 2.00 -5.35 -0.23 -4.90 119.36 117.20 1axx n ILE 76 Ca 0.15 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1axx n ILE 76 Cb 0.42 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.56 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 1.59 2.23 3.71 3.28 0.00 -1.03 -2.90 105.19 112.07 1axx n GLY 77 Ca -0.49 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 4.95 1.66 0.33 1.61 -1.05 -0.75 -0.69 118.70 124.77 1axx s GLU 78 Ca 0.00 -1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 53.39 1axx s GLU 78 Cb 0.00 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1axx s GLU 78 CO 0.00 -0.72 1.36 -0.51 0.95 0.00 0.00 175.26 176.34 1axx s LEU 79 N -2.98 4.40 0.23 1.83 1.43 0.20 -0.97 118.68 122.82 1axx s LEU 79 Ca 0.17 2.76 -0.31 0.00 -1.03 0.00 0.00 54.13 55.73 1axx s LEU 79 Cb -0.03 -3.65 -0.15 0.00 0.03 0.00 0.00 46.19 42.39 1axx s LEU 79 CO 0.08 -0.63 1.16 1.57 0.23 0.00 0.00 176.35 178.77 1axx n HIS 80 N 0.94 1.48 0.26 0.29 -0.00 0.72 -4.69 115.22 114.23 1axx n HIS 80 Ca 0.01 0.64 0.09 0.00 0.46 0.00 0.00 57.72 58.92 1axx n HIS 80 Cb 0.41 -2.31 0.67 0.00 -0.12 0.00 0.00 29.99 28.64 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1axx h PRO 81 N 3.07 0.00 -0.70 1.57 0.13 -1.91 -2.68 132.00 131.48 1axx h PRO 81 Ca -0.42 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1axx h PRO 81 Cb 1.33 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1axx h PRO 81 CO 0.68 0.08 -0.56 0.22 -0.23 0.00 0.00 178.00 178.19 1axx h ASP 82 N 0.00 -1.97 1.10 1.44 3.58 -1.99 -1.11 116.42 117.47 1axx h ASP 82 Ca -0.00 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1axx h ASP 82 Cb 0.16 0.85 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1axx h ASP 82 CO 0.01 -0.32 0.00 -0.67 -2.88 0.00 0.00 179.24 175.38 1axx n ASP 83 N -5.32 0.23 0.08 2.28 -0.08 -1.02 -4.02 116.55 108.69 1axx n ASP 83 Ca -0.00 0.52 -0.12 0.00 -1.51 0.00 0.00 54.79 53.68 1axx n ASP 83 Cb 0.31 -0.58 -0.05 0.00 2.34 0.00 0.00 41.12 43.13 1axx n ASP 83 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1axx h ARG 84 N 0.00 -0.26 -1.98 -0.67 2.43 -1.13 0.69 114.38 113.46 1axx h ARG 84 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1axx h ARG 84 Cb 0.55 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1axx h ARG 84 CO 0.00 -0.18 -0.13 0.45 -1.51 0.00 0.00 179.97 178.60 1axx n SER 85 N -5.28 5.38 0.20 -3.80 2.88 -1.25 -3.82 113.62 107.93 1axx n SER 85 Ca -0.06 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 1axx n SER 85 Cb 0.20 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1axx n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1axx n LYS 86 N 1.84 0.00 -3.48 -1.46 3.00 -0.66 -5.10 118.16 112.30 1axx n LYS 86 Ca 0.20 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.19 1axx n LYS 86 Cb 0.67 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.73 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 -3.36 -4.81 -4.47 3.15 5.41 0.15 -4.99 119.36 110.43 1axx n ILE 87 Ca 0.00 0.14 -0.33 0.00 1.00 0.00 0.00 62.75 63.56 1axx n ILE 87 Cb 0.00 -3.96 -0.15 0.00 -0.71 0.00 0.00 39.64 34.82 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 -1.93 2.45 -0.44 -1.39 0.00 -1.26 -5.07 121.76 114.11 1axx s ALA 88 Ca 0.29 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1axx s ALA 88 Cb -0.03 -1.20 0.13 0.00 0.00 0.00 0.00 23.12 22.02 1axx s ALA 88 CO 0.87 -0.09 0.24 0.21 0.00 0.00 0.00 175.76 176.98 1axx s LYS 89 N 0.91 1.31 0.24 0.00 2.20 -1.26 -4.98 119.74 118.17 1axx s LYS 89 Ca -0.04 -2.02 0.04 0.00 -0.36 0.00 0.00 55.97 53.59 1axx s LYS 89 Cb -0.15 -2.38 0.27 0.00 -1.51 0.00 0.00 37.83 34.06 1axx s LYS 89 CO -0.02 -1.16 1.57 -1.00 -0.36 0.00 0.00 175.35 174.39 1axx h PRO 90 N 6.73 0.26 0.00 4.03 0.13 -2.05 -3.46 132.00 137.64 1axx h PRO 90 Ca -0.01 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1axx h PRO 90 Cb 0.93 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1axx h PRO 90 CO 0.49 0.76 0.00 0.45 -0.23 0.00 0.00 178.00 179.47 1axx n SER 91 N -3.90 -0.67 -1.18 1.44 2.88 -1.26 -5.17 113.62 105.77 1axx n SER 91 Ca -0.02 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1axx n SER 91 Cb 0.60 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 1axx n SER 91 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1axx n GLU 92 N -2.48 -3.37 -3.59 -1.46 1.02 -1.26 -5.11 120.64 104.39 1axx n GLU 92 Ca 0.00 2.50 -0.02 0.00 -0.02 0.00 0.00 57.16 59.62 1axx n GLU 92 Cb 0.00 -2.81 -0.05 0.00 -0.02 0.00 0.00 31.44 28.55 1axx n GLU 92 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1axx s THR 93 N -2.91 -0.34 0.00 2.62 -1.32 -1.26 -5.18 115.64 107.26 1axx s THR 93 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1axx s THR 93 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1axx s THR 93 CO 0.00 0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.30