#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 -1.67 -2.11 0.11 4.01 -1.26 -5.06 118.16 112.19 1axx n LYS 2 Ca 0.00 1.10 -0.03 0.00 -0.51 0.00 0.00 58.31 58.87 1axx n LYS 2 Cb 0.00 -2.03 -0.02 0.00 -0.51 0.00 0.00 35.03 32.46 1axx n LYS 2 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1axx n ASP 3 N -3.90 -1.64 -3.01 4.39 2.03 -1.26 -5.07 116.55 108.09 1axx n ASP 3 Ca 0.01 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1axx n ASP 3 Cb 0.38 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 1axx n ASP 3 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1axx n VAL 4 N 0.86 0.00 -0.88 5.18 0.24 -1.26 -4.85 118.33 117.61 1axx n VAL 4 Ca -0.20 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.92 1axx n VAL 4 Cb 0.31 -1.30 -0.09 0.00 -1.47 0.00 0.00 33.84 31.29 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 2.08 -2.22 7.34 4.76 -1.26 -4.90 118.16 123.95 1axx n LYS 5 Ca 0.00 -1.18 -0.42 0.00 -2.87 0.00 0.00 58.31 53.84 1axx n LYS 5 Cb 0.00 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.00 1axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1axx s TYR 6 N 1.90 2.56 0.00 2.13 2.02 -1.26 -0.97 117.35 123.74 1axx s TYR 6 Ca 0.54 0.68 0.07 0.00 -0.37 0.00 0.00 57.07 57.99 1axx s TYR 6 Cb 0.21 -3.69 -0.03 0.00 -0.40 0.00 0.00 41.96 38.06 1axx s TYR 6 CO -0.02 -2.65 -0.22 0.71 -1.57 0.00 0.00 175.55 171.80 1axx s TYR 7 N 3.31 2.46 0.47 2.71 2.02 0.33 -4.84 117.35 123.81 1axx s TYR 7 Ca 0.64 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1axx s TYR 7 Cb -0.29 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1axx s TYR 7 CO 0.23 0.12 0.76 0.95 -1.57 0.00 0.00 175.55 176.04 1axx s THR 8 N -0.76 4.78 0.11 -0.71 -4.23 -1.26 -0.85 115.64 112.71 1axx s THR 8 Ca 0.12 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.43 1axx s THR 8 Cb -0.10 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.82 1axx s THR 8 CO 0.02 -0.76 1.64 -0.07 -0.54 0.00 0.00 174.62 174.91 1axx h LEU 9 N 0.26 -0.73 -0.53 4.79 -0.00 -1.98 -0.76 115.31 116.36 1axx h LEU 9 Ca -0.47 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 57.59 1axx h LEU 9 Cb 1.21 0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 42.03 1axx h LEU 9 CO 0.61 -0.36 -0.24 -0.08 -0.00 0.00 0.00 178.44 178.36 1axx h GLU 10 N -0.51 -0.11 0.24 1.13 4.57 -1.98 0.26 114.58 118.17 1axx h GLU 10 Ca 0.01 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1axx h GLU 10 Cb 0.50 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1axx h GLU 10 CO -0.11 -0.08 -0.11 1.49 -1.18 0.00 0.00 179.01 179.02 1axx h GLU 11 N -0.12 -0.31 -0.93 1.92 4.81 -1.85 -0.64 114.58 117.47 1axx h GLU 11 Ca 0.24 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1axx h GLU 11 Cb 0.50 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1axx h GLU 11 CO -0.60 -0.16 0.60 0.82 -0.73 0.00 0.00 179.01 178.93 1axx h ILE 12 N -0.38 1.00 -0.59 2.32 2.04 -0.61 0.62 117.51 121.92 1axx h ILE 12 Ca -0.03 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1axx h ILE 12 Cb 0.29 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1axx h ILE 12 CO 0.05 0.18 0.25 -0.61 0.00 0.00 0.00 178.15 178.03 1axx h GLN 13 N 0.98 0.84 -0.27 2.37 5.75 0.05 -2.22 115.11 122.61 1axx h GLN 13 Ca 0.42 -0.12 -0.19 0.00 -0.15 0.00 0.00 58.65 58.62 1axx h GLN 13 Cb 0.33 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1axx h GLN 13 CO -0.18 0.68 -0.56 0.87 -2.65 0.00 0.00 178.83 176.98 1axx h LYS 14 N 0.83 0.84 -5.28 1.69 6.56 0.58 -3.39 116.57 118.41 1axx h LYS 14 Ca 0.20 -0.54 -0.17 0.00 -1.06 0.00 0.00 60.65 59.08 1axx h LYS 14 Cb 0.13 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 1axx h LYS 14 CO -0.02 1.17 0.54 -1.01 -2.06 0.00 0.00 179.45 178.08 1axx s HIS 15 N -4.09 1.57 0.00 -1.35 3.76 -0.01 -4.22 115.29 110.94 1axx s HIS 15 Ca -0.10 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.26 1axx s HIS 15 Cb 0.10 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 30.15 1axx s HIS 15 CO 0.89 -0.90 0.00 1.17 -0.85 0.00 0.00 174.74 175.05 1axx n LYS 16 N 8.21 0.00 0.00 1.40 4.81 -1.12 -3.37 118.16 128.08 1axx n LYS 16 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1axx n LYS 16 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1axx n ASP 17 N -1.77 -1.05 -1.26 3.14 -0.08 -1.26 -2.18 116.55 112.09 1axx n ASP 17 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1axx n ASP 17 Cb 0.00 0.00 0.29 0.00 2.34 0.00 0.00 41.12 43.75 1axx n ASP 17 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1axx n SER 18 N -3.33 4.27 0.12 1.67 2.88 -1.26 -4.74 113.62 113.23 1axx n SER 18 Ca 0.00 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1axx n SER 18 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1axx n LYS 19 N -0.29 0.00 -0.79 -1.46 4.81 -1.23 -5.00 118.16 114.20 1axx n LYS 19 Ca 0.26 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.42 1axx n LYS 19 Cb 1.03 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 36.05 1axx n LYS 19 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1axx n SER 20 N -3.13 3.39 -4.55 3.14 3.41 -0.93 -4.45 113.62 110.50 1axx n SER 20 Ca 0.00 -2.42 -0.41 0.00 -0.26 0.00 0.00 58.87 55.78 1axx n SER 20 Cb 0.00 -1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 62.91 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1axx s THR 21 N 4.29 3.99 0.34 6.66 2.01 -1.23 -2.81 115.64 128.89 1axx s THR 21 Ca 0.43 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1axx s THR 21 Cb 0.11 -5.03 -0.03 0.00 0.01 0.00 0.00 72.50 67.55 1axx s THR 21 CO 0.04 -1.90 0.54 0.26 -0.69 0.00 0.00 174.62 172.87 1axx s TRP 22 N 4.79 3.50 -0.10 4.92 0.52 -1.24 -0.93 118.94 130.40 1axx s TRP 22 Ca 0.45 0.34 -0.17 0.00 0.02 0.00 0.00 56.10 56.74 1axx s TRP 22 Cb -0.01 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1axx s TRP 22 CO -0.10 0.13 0.42 0.14 0.02 0.00 0.00 176.95 177.57 1axx s VAL 23 N -2.30 0.02 -0.46 4.03 -7.23 -0.38 -0.00 120.40 114.07 1axx s VAL 23 Ca 0.40 -0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 60.25 1axx s VAL 23 Cb -0.10 -0.66 0.06 0.00 0.56 0.00 0.00 36.38 36.24 1axx s VAL 23 CO 0.36 -0.09 0.43 0.27 -0.31 0.00 0.00 175.10 175.76 1axx s ILE 24 N -0.45 5.16 -0.36 -0.62 -5.25 -0.40 -1.29 121.20 117.99 1axx s ILE 24 Ca -0.06 -0.83 -0.04 0.00 -0.99 0.00 0.00 60.65 58.73 1axx s ILE 24 Cb -0.03 -4.12 0.07 0.00 2.95 0.00 0.00 42.46 41.33 1axx s ILE 24 CO 0.03 -0.57 0.13 -0.76 -1.79 0.00 0.00 174.94 171.98 1axx s LEU 25 N 1.88 4.62 0.00 0.37 1.43 -1.00 -2.96 118.68 123.01 1axx s LEU 25 Ca 0.07 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 1axx s LEU 25 Cb -0.22 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1axx s LEU 25 CO 0.09 -0.41 0.00 1.41 0.23 0.00 0.00 176.35 177.67 1axx n HIS 26 N 4.70 -1.20 -1.32 0.29 8.25 -1.26 -3.86 115.22 120.82 1axx n HIS 26 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1axx n HIS 26 Cb 0.43 0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.70 1axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1axx n HIS 27 N -0.62 2.39 0.00 4.41 8.25 -1.26 -4.71 115.22 123.68 1axx n HIS 27 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 57.72 55.25 1axx n HIS 27 Cb 0.00 -1.99 0.00 0.00 1.12 0.00 0.00 29.99 29.12 1axx n HIS 27 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1axx n LYS 28 N 6.54 0.00 -4.21 -0.41 2.85 -1.25 -4.78 118.16 116.90 1axx n LYS 28 Ca 0.51 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.41 1axx n LYS 28 Cb 0.39 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.68 1axx n LYS 28 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1axx s VAL 29 N -1.35 4.67 -0.09 0.58 1.01 0.08 -2.37 120.40 122.93 1axx s VAL 29 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1axx s VAL 29 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1axx s VAL 29 CO 0.00 0.59 -0.18 -0.31 0.00 0.00 0.00 175.10 175.21 1axx s TYR 30 N -0.78 2.02 -0.21 5.22 2.02 -0.41 -2.25 117.35 122.96 1axx s TYR 30 Ca 0.12 -0.83 -0.16 0.00 -0.37 0.00 0.00 57.07 55.84 1axx s TYR 30 Cb -0.12 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1axx s TYR 30 CO 0.03 -0.37 0.39 0.34 -1.57 0.00 0.00 175.55 174.36 1axx s ASP 31 N 0.58 6.41 -0.12 2.29 -1.08 -1.14 -1.26 116.67 122.35 1axx s ASP 31 Ca -0.15 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.50 1axx s ASP 31 Cb -0.17 -2.23 0.29 0.00 -1.46 0.00 0.00 42.92 39.36 1axx s ASP 31 CO 0.05 -0.09 1.15 0.18 0.52 0.00 0.00 175.17 176.98 1axx n LEU 32 N 4.58 1.98 -0.24 -1.34 4.77 -0.11 -4.82 117.00 121.83 1axx n LEU 32 Ca -0.08 -2.90 0.11 0.00 -0.03 0.00 0.00 56.01 53.10 1axx n LEU 32 Cb 0.51 -0.36 0.38 0.00 -2.33 0.00 0.00 43.42 41.62 1axx n LEU 32 CO 0.39 0.80 1.22 0.74 -1.33 0.00 0.00 177.39 179.22 1axx h THR 33 N 1.86 0.89 -0.42 -5.08 2.02 -1.76 0.69 112.91 111.11 1axx h THR 33 Ca -0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1axx h THR 33 Cb 1.13 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1axx h THR 33 CO 0.01 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.32 1axx n LYS 34 N -4.53 3.37 0.00 6.66 5.02 -1.26 -4.43 118.16 122.99 1axx n LYS 34 Ca 0.15 -2.72 0.04 0.00 -2.02 0.00 0.00 58.31 53.76 1axx n LYS 34 Cb 0.40 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.28 0.00 -0.07 2.13 7.35 0.18 -4.68 117.46 122.65 1axx n PHE 35 Ca 0.21 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.83 1axx n PHE 35 Cb 0.83 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.61 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 0.48 -0.94 -0.34 -2.13 3.38 -1.63 0.19 115.31 114.31 1axx h LEU 36 Ca 0.00 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1axx h LEU 36 Cb 0.22 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1axx h LEU 36 CO 0.00 -0.20 -0.61 -0.33 0.09 0.00 0.00 178.44 177.39 1axx h GLU 37 N -0.20 0.73 -0.86 1.13 5.08 -1.87 -2.92 114.58 115.67 1axx h GLU 37 Ca 0.04 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 58.00 1axx h GLU 37 Cb 0.30 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1axx h GLU 37 CO -0.30 1.12 0.49 0.93 -1.00 0.00 0.00 179.01 180.25 1axx h GLU 38 N 0.55 0.78 -6.00 2.33 5.08 -1.73 -3.43 114.58 112.15 1axx h GLU 38 Ca -0.00 -0.05 -0.71 0.00 -1.00 0.00 0.00 59.36 57.60 1axx h GLU 38 Cb 1.20 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1axx h GLU 38 CO 0.12 0.51 1.36 1.58 -1.00 0.00 0.00 179.01 181.59 1axx n HIS 39 N -4.74 1.43 -2.00 4.33 -0.00 0.62 -4.77 115.22 110.09 1axx n HIS 39 Ca 0.15 0.48 -0.31 0.00 0.46 0.00 0.00 57.72 58.51 1axx n HIS 39 Cb 0.32 -2.43 -0.06 0.00 -0.12 0.00 0.00 29.99 27.70 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 7.84 1.71 0.00 1.57 -0.04 -1.26 -0.66 135.00 144.15 1axx n PRO 40 Ca 0.46 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1axx n PRO 40 Cb 0.12 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 29.95 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 5.61 1.37 0.00 0.55 0.00 -1.26 -5.17 105.19 106.30 1axx n GLY 41 Ca 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 42 N 0.00 3.59 0.14 -0.02 0.00 0.16 -4.91 105.19 104.15 1axx n GLY 42 Ca 0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 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 0.44 0.66 1.61 4.22 -1.79 -3.36 114.58 116.37 1axx h GLU 43 Ca 0.00 -0.76 -0.03 0.00 0.08 0.00 0.00 59.36 58.66 1axx h GLU 43 Cb 0.00 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1axx h GLU 43 CO 0.00 1.36 -0.38 1.49 -2.18 0.00 0.00 179.01 179.30 1axx h GLU 44 N -0.03 -0.94 -0.06 1.92 4.81 -1.91 0.15 114.58 118.52 1axx h GLU 44 Ca -0.24 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1axx h GLU 44 Cb 1.99 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 31.59 1axx h GLU 44 CO 0.22 -0.63 0.15 -0.24 -0.73 0.00 0.00 179.01 177.78 1axx h VAL 45 N -0.98 0.18 0.14 0.32 3.04 -1.91 0.38 116.25 117.42 1axx h VAL 45 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 1axx h VAL 45 Cb 0.78 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1axx h VAL 45 CO 0.10 0.00 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.53 1axx h LEU 46 N 0.00 -0.16 -0.09 3.16 -0.00 -1.14 -3.32 115.31 113.76 1axx h LEU 46 Ca 0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1axx h LEU 46 Cb 0.32 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1axx h LEU 46 CO -0.00 0.42 0.00 0.54 -0.00 0.00 0.00 178.44 179.40 1axx n ARG 47 N -4.90 0.04 -0.25 1.13 1.74 0.33 -3.80 116.66 110.95 1axx n ARG 47 Ca -0.08 0.22 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 1axx n ARG 47 Cb 0.27 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.18 0.00 5.56 4.39 -0.43 -3.30 114.58 120.61 1axx h GLU 48 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1axx h GLU 48 Cb 0.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1axx h GLU 48 CO 0.00 -0.12 0.00 1.04 -1.16 0.00 0.00 179.01 178.77 1axx n GLN 49 N -5.38 0.00 -1.47 2.33 3.00 -1.26 -5.10 117.38 109.50 1axx n GLN 49 Ca 0.02 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1axx n GLN 49 Cb 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 30.24 29.98 1axx n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1axx n ALA 50 N -2.18 -1.73 -3.78 -1.58 0.00 -1.25 -4.86 120.51 105.14 1axx n ALA 50 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1axx n ALA 50 Cb 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.17 -0.93 0.00 0.00 0.00 1.00 -4.90 105.19 98.18 1axx n GLY 51 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.79 -1.28 3.58 -0.02 0.00 -1.26 -4.17 105.19 100.25 1axx n GLY 52 Ca -0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1axx n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1axx s ASP 53 N -3.80 6.58 0.00 1.61 -4.77 -1.26 -1.28 116.67 113.76 1axx s ASP 53 Ca 0.00 -2.23 0.21 0.00 -3.30 0.00 0.00 52.55 47.23 1axx s ASP 53 Cb 0.00 -2.58 0.80 0.00 -1.09 0.00 0.00 42.92 40.05 1axx s ASP 53 CO 0.00 -1.43 1.57 0.00 0.70 0.00 0.00 175.17 176.01 1axx n ALA 54 N 9.17 2.53 0.04 2.11 0.00 -1.22 -4.31 120.51 128.83 1axx n ALA 54 Ca 0.47 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1axx n ALA 54 Cb 0.47 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 2.05 0.35 -0.40 0.00 2.02 -1.83 0.78 112.91 115.88 1axx h THR 55 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1axx h THR 55 Cb 0.45 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.12 1axx h THR 55 CO 0.00 0.00 -0.49 -0.33 0.37 0.00 0.00 175.52 175.07 1axx h GLU 56 N -0.41 -0.35 -0.81 6.66 4.39 -1.84 0.13 114.58 122.34 1axx h GLU 56 Ca 0.08 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1axx h GLU 56 Cb 0.52 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1axx h GLU 56 CO -0.28 -0.24 0.43 -0.97 -1.16 0.00 0.00 179.01 176.80 1axx h ASN 57 N -0.37 1.02 -0.42 1.42 -0.00 -1.68 0.27 115.58 115.83 1axx h ASN 57 Ca 0.11 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 1axx h ASN 57 Cb 0.60 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.64 1axx h ASN 57 CO -0.59 0.83 0.15 0.15 -0.00 0.00 0.00 177.43 177.98 1axx h PHE 58 N 1.14 0.65 0.00 0.67 3.04 -0.09 -3.09 116.94 119.26 1axx h PHE 58 Ca 0.29 -0.06 -0.14 0.00 3.98 0.00 0.00 57.97 62.04 1axx h PHE 58 Cb 0.05 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1axx h PHE 58 CO 0.01 0.58 -0.68 0.93 -2.02 0.00 0.00 178.31 177.13 1axx h GLU 59 N 0.53 0.00 -0.49 1.11 4.39 -0.19 0.23 114.58 120.16 1axx h GLU 59 Ca 0.14 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.92 1axx h GLU 59 Cb 0.22 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 1axx h GLU 59 CO -0.01 0.68 0.08 0.22 -1.16 0.00 0.00 179.01 178.82 1axx h ASP 60 N 0.00 -0.05 0.64 1.42 3.58 -0.45 -0.61 116.42 120.96 1axx h ASP 60 Ca -0.01 0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.34 1axx h ASP 60 Cb 1.39 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.57 1axx h ASP 60 CO 0.09 0.01 -0.90 0.58 -2.88 0.00 0.00 179.24 176.14 1axx h VAL 61 N 0.20 1.52 0.00 2.25 2.07 -1.48 -3.48 116.25 117.34 1axx h VAL 61 Ca 0.25 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1axx h VAL 61 Cb 0.34 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1axx h VAL 61 CO -0.34 0.79 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1axx n GLY 62 N 0.94 2.09 0.97 2.17 0.00 0.80 -4.91 105.19 107.25 1axx n GLY 62 Ca -0.03 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1axx n HIS 63 N 0.00 -2.59 -1.95 1.61 8.25 -1.26 -4.77 115.22 114.52 1axx n HIS 63 Ca 0.00 1.41 -0.29 0.00 -0.26 0.00 0.00 57.72 58.58 1axx n HIS 63 Cb 0.00 -2.35 0.07 0.00 1.12 0.00 0.00 29.99 28.82 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 -6.28 4.98 0.13 0.41 1.04 -1.26 -4.99 113.70 107.72 1axx s SER 64 Ca 0.00 0.89 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1axx s SER 64 Cb 0.00 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1axx s SER 64 CO 0.00 -1.60 1.78 0.74 0.98 0.00 0.00 173.24 175.14 1axx h THR 65 N -0.80 1.04 -0.85 2.02 2.02 -2.02 -2.70 112.91 111.62 1axx h THR 65 Ca -0.45 -0.11 0.22 0.00 0.77 0.00 0.00 66.41 66.84 1axx h THR 65 Cb 1.29 0.71 -0.14 0.00 -1.74 0.00 0.00 68.15 68.27 1axx h THR 65 CO 0.64 0.06 0.16 0.44 0.37 0.00 0.00 175.52 177.19 1axx h ASP 66 N 0.31 -0.13 -0.74 4.18 5.19 -2.00 0.27 116.42 123.51 1axx h ASP 66 Ca 0.09 0.20 0.12 0.00 -0.62 0.00 0.00 57.03 56.83 1axx h ASP 66 Cb -0.02 0.30 -0.09 0.00 0.18 0.00 0.00 39.33 39.71 1axx h ASP 66 CO -0.04 -0.17 0.32 0.00 -3.12 0.00 0.00 179.24 176.23 1axx h ALA 67 N 1.77 1.03 -0.65 3.45 0.00 -1.86 0.11 119.26 123.10 1axx h ALA 67 Ca 0.51 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1axx h ALA 67 Cb 1.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1axx h ALA 67 CO -0.67 -0.15 0.40 0.00 0.00 0.00 0.00 179.25 178.83 1axx h ARG 68 N 0.50 0.89 0.00 0.00 3.08 -0.48 0.27 114.38 118.64 1axx h ARG 68 Ca 0.39 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1axx h ARG 68 Cb 0.53 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1axx h ARG 68 CO -0.35 0.63 -0.00 0.93 -1.07 0.00 0.00 179.97 180.11 1axx h GLU 69 N 0.89 -0.00 -0.95 0.04 4.39 -1.17 -2.32 114.58 115.46 1axx h GLU 69 Ca 0.24 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.97 1axx h GLU 69 Cb -0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1axx h GLU 69 CO -0.04 0.06 0.62 1.25 -1.16 0.00 0.00 179.01 179.74 1axx h LEU 70 N -0.06 1.04 -0.38 1.33 5.85 -0.24 0.61 115.31 123.47 1axx h LEU 70 Ca -0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1axx h LEU 70 Cb 0.06 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 1axx h LEU 70 CO 0.00 0.72 -0.17 0.28 -0.34 0.00 0.00 178.44 178.93 1axx h SER 71 N 1.22 -0.58 -0.67 1.25 0.02 -0.34 -1.70 113.55 112.74 1axx h SER 71 Ca 0.37 0.14 0.14 0.00 -0.84 0.00 0.00 61.79 61.61 1axx h SER 71 Cb -0.02 0.32 -0.12 0.00 0.14 0.00 0.00 62.40 62.73 1axx h SER 71 CO -0.11 -0.20 -0.01 0.11 -1.14 0.00 0.00 176.83 175.48 1axx h LYS 72 N -0.10 0.10 -0.06 3.45 6.56 -0.32 0.31 116.57 126.51 1axx h LYS 72 Ca 0.19 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1axx h LYS 72 Cb 0.39 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1axx h LYS 72 CO -0.44 0.07 0.10 1.15 -2.06 0.00 0.00 179.45 178.27 1axx h THR 73 N 0.11 0.33 -0.32 -0.16 2.02 -0.90 -0.45 112.91 113.53 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 0.59 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1axx h THR 73 CO -0.59 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.08 1axx n TYR 74 N -3.55 0.40 -1.95 3.16 4.01 0.93 -4.97 117.16 115.19 1axx n TYR 74 Ca -0.01 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.06 1axx n TYR 74 Cb 0.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 2.96 -0.24 -0.72 2.07 -0.18 -2.86 121.20 120.91 1axx s ILE 75 Ca 0.32 0.51 -0.01 0.00 -1.41 0.00 0.00 60.65 60.06 1axx s ILE 75 Cb 0.19 -3.33 -0.18 0.00 0.13 0.00 0.00 42.46 39.27 1axx s ILE 75 CO 0.26 0.01 -0.16 2.30 -1.91 0.00 0.00 174.94 175.44 1axx n ILE 76 N 4.50 1.53 -0.84 2.00 -5.35 -0.96 -4.94 119.36 115.31 1axx n ILE 76 Ca 0.15 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1axx n ILE 76 Cb 0.40 -1.52 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 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 2.10 -0.72 3.24 3.28 0.00 -1.23 -4.54 105.19 107.32 1axx n GLY 77 Ca -0.45 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.21 1.15 0.05 1.61 2.02 -0.14 -0.74 118.70 122.44 1axx s GLU 78 Ca 0.00 -1.57 -0.31 0.00 0.02 0.00 0.00 54.97 53.11 1axx s GLU 78 Cb 0.00 -0.17 -0.06 0.00 0.10 0.00 0.00 34.13 34.00 1axx s GLU 78 CO 0.00 -0.19 1.35 -0.51 0.02 0.00 0.00 175.26 175.93 1axx s LEU 79 N -3.18 4.35 0.09 1.80 1.43 -1.26 -0.52 118.68 121.39 1axx s LEU 79 Ca 0.27 2.17 -0.36 0.00 -1.03 0.00 0.00 54.13 55.19 1axx s LEU 79 Cb 0.07 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.53 1axx s LEU 79 CO 0.06 -0.64 1.06 1.57 0.23 0.00 0.00 176.35 178.63 1axx n HIS 80 N 4.54 0.80 -0.13 0.29 -0.00 -0.03 -4.72 115.22 115.98 1axx n HIS 80 Ca 0.12 0.87 0.07 0.00 -0.00 0.00 0.00 57.72 58.78 1axx n HIS 80 Cb 0.44 -2.16 0.39 0.00 -0.00 0.00 0.00 29.99 28.66 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 3.09 0.64 -0.61 1.57 0.13 -1.92 -1.75 132.00 133.15 1axx h PRO 81 Ca -0.45 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1axx h PRO 81 Cb 1.39 -0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1axx h PRO 81 CO 0.67 0.42 -0.32 0.22 -0.23 0.00 0.00 178.00 178.76 1axx h ASP 82 N 0.66 -1.12 0.62 1.44 3.58 -2.00 -0.16 116.42 119.42 1axx h ASP 82 Ca 0.27 0.23 -0.12 0.00 0.42 0.00 0.00 57.03 57.83 1axx h ASP 82 Cb 0.24 0.57 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1axx h ASP 82 CO -0.08 -0.30 -0.57 0.44 -2.88 0.00 0.00 179.24 175.85 1axx h ASP 83 N -0.15 0.00 -0.74 2.28 5.19 -1.67 -3.23 116.42 118.11 1axx h ASP 83 Ca 0.24 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.78 1axx h ASP 83 Cb 0.55 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 1axx h ASP 83 CO -0.69 0.57 0.49 -0.09 -3.12 0.00 0.00 179.24 176.40 1axx h ARG 84 N 0.00 0.48 0.00 3.56 2.43 -0.65 0.17 114.38 120.37 1axx h ARG 84 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1axx h ARG 84 Cb 1.03 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1axx h ARG 84 CO 0.07 0.32 -0.13 0.77 -1.51 0.00 0.00 179.97 179.50 1axx h SER 85 N 0.50 0.00 -0.35 -3.80 0.02 -1.55 -3.38 113.55 105.00 1axx h SER 85 Ca 0.36 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.05 1axx h SER 85 Cb 0.69 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.06 1axx h SER 85 CO -0.12 0.13 -0.57 1.17 -1.14 0.00 0.00 176.83 176.30 1axx n LYS 86 N -3.39 0.74 0.10 3.45 4.81 0.44 -5.05 118.16 119.26 1axx n LYS 86 Ca -0.01 -1.94 -0.12 0.00 -0.87 0.00 0.00 58.31 55.37 1axx n LYS 86 Cb 0.31 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 1axx n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1axx h ILE 87 N 3.09 0.00 -1.99 3.15 2.04 -1.35 -3.45 117.51 119.00 1axx h ILE 87 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1axx h ILE 87 Cb 1.02 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.89 1axx h ILE 87 CO 0.32 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.57 1axx s ALA 88 N -5.04 -1.82 -0.11 1.87 0.00 -1.26 -5.03 121.76 110.37 1axx s ALA 88 Ca -0.11 2.14 -0.26 0.00 0.00 0.00 0.00 51.96 53.73 1axx s ALA 88 Cb 0.04 -1.26 -0.22 0.00 0.00 0.00 0.00 23.12 21.68 1axx s ALA 88 CO 0.42 -0.35 0.82 0.87 0.00 0.00 0.00 175.76 177.52 1axx h LYS 89 N 5.56 -0.02 -7.33 0.00 1.79 -2.03 -3.46 116.57 111.08 1axx h LYS 89 Ca -0.29 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.67 1axx h LYS 89 Cb 1.18 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.92 1axx h LYS 89 CO 0.08 0.77 0.38 -1.25 -1.08 0.00 0.00 179.45 178.35 1axx s PRO 90 N -2.66 3.06 -0.35 3.15 0.04 -1.26 -5.05 135.00 131.93 1axx s PRO 90 Ca -0.17 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1axx s PRO 90 Cb -0.02 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.66 1axx s PRO 90 CO 0.62 -1.00 0.23 -1.12 0.04 0.00 0.00 177.00 175.77 1axx s SER 91 N -3.80 2.75 0.76 6.66 0.01 -1.26 -5.14 113.70 113.67 1axx s SER 91 Ca 0.58 -2.11 -0.12 0.00 1.31 0.00 0.00 55.95 55.61 1axx s SER 91 Cb -0.14 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.86 1axx s SER 91 CO 0.54 -0.30 1.14 -1.61 0.41 0.00 0.00 173.24 173.41 1axx s GLU 92 N 1.12 2.39 -1.47 12.44 0.41 -1.26 -4.97 118.70 127.35 1axx s GLU 92 Ca 0.18 0.26 -0.08 0.00 -0.41 0.00 0.00 54.97 54.92 1axx s GLU 92 Cb -0.22 -1.99 0.02 0.00 -1.78 0.00 0.00 34.13 30.16 1axx s GLU 92 CO 0.01 -1.32 2.65 -2.37 -0.49 0.00 0.00 175.26 173.73 1axx n THR 93 N -3.16 4.77 -1.24 3.63 5.66 -1.26 -5.09 114.28 117.59 1axx n THR 93 Ca 0.07 -3.48 0.00 0.00 -3.05 0.00 0.00 64.05 57.59 1axx n THR 93 Cb 0.59 -2.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.03 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91