#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axx h LYS 2 N 0.00 0.31 0.00 0.11 2.10 -2.01 -3.41 116.57 113.67 1axx h LYS 2 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1axx h LYS 2 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1axx h LYS 2 CO 0.00 0.20 0.00 -3.47 -2.00 0.00 0.00 179.45 174.18 1axx n ASP 3 N -4.46 -0.01 -0.16 7.07 2.03 -1.26 -5.13 116.55 114.63 1axx n ASP 3 Ca 0.18 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1axx n ASP 3 Cb 0.72 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 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 -2.52 0.00 -3.16 5.18 0.24 -1.26 -5.04 118.33 111.76 1axx n VAL 4 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 1axx n VAL 4 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1axx n VAL 4 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1axx n LYS 5 N 0.00 0.98 -1.47 7.34 4.81 -1.25 0.49 118.16 129.05 1axx n LYS 5 Ca 0.00 -3.31 -0.51 0.00 -0.87 0.00 0.00 58.31 53.62 1axx n LYS 5 Cb 0.00 -1.67 -0.07 0.00 0.02 0.00 0.00 35.03 33.31 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1axx n TYR 6 N 0.28 1.67 -4.41 5.64 4.01 -1.26 -3.38 117.16 119.71 1axx n TYR 6 Ca 0.24 0.27 -0.32 0.00 -0.16 0.00 0.00 57.90 57.93 1axx n TYR 6 Cb 0.67 -2.54 -0.10 0.00 -0.31 0.00 0.00 39.34 37.06 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 6.92 2.92 0.48 -0.72 2.02 -0.11 -4.69 117.35 124.17 1axx s TYR 7 Ca 1.08 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 57.64 1axx s TYR 7 Cb -0.86 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.03 1axx s TYR 7 CO 0.50 0.39 0.88 0.95 -1.57 0.00 0.00 175.55 176.70 1axx s THR 8 N -1.03 4.71 0.14 -0.71 -4.23 -1.26 -0.39 115.64 112.86 1axx s THR 8 Ca 0.18 0.81 -0.23 0.00 -1.18 0.00 0.00 61.69 61.26 1axx s THR 8 Cb -0.11 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 1axx s THR 8 CO 0.08 -0.70 1.64 -0.07 -0.54 0.00 0.00 174.62 175.04 1axx h LEU 9 N 0.82 -0.69 -0.67 4.79 -0.00 -1.98 0.02 115.31 117.59 1axx h LEU 9 Ca -0.47 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.56 1axx h LEU 9 Cb 1.19 0.31 -0.04 0.00 -0.00 0.00 0.00 40.66 42.12 1axx h LEU 9 CO 0.63 -0.27 0.42 -0.08 -0.00 0.00 0.00 178.44 179.13 1axx h GLU 10 N -0.28 0.79 0.12 1.13 4.22 -1.97 0.13 114.58 118.73 1axx h GLU 10 Ca 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1axx h GLU 10 Cb 0.43 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1axx h GLU 10 CO -0.30 0.52 -0.07 1.49 -2.18 0.00 0.00 179.01 178.47 1axx h GLU 11 N 0.81 -0.18 -0.89 1.92 4.81 -1.80 -0.44 114.58 118.81 1axx h GLU 11 Ca 0.27 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1axx h GLU 11 Cb 0.03 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1axx h GLU 11 CO -0.11 -0.12 0.57 0.82 -0.73 0.00 0.00 179.01 179.44 1axx h ILE 12 N -0.19 0.94 0.00 2.32 2.04 -0.34 0.13 117.51 122.41 1axx h ILE 12 Ca -0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1axx h ILE 12 Cb 0.16 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1axx h ILE 12 CO 0.01 0.16 0.00 1.67 0.00 0.00 0.00 178.15 179.99 1axx n GLN 13 N -4.54 0.06 -0.05 2.37 7.27 0.39 -2.66 117.38 120.22 1axx n GLN 13 Ca 0.16 0.11 -0.14 0.00 0.07 0.00 0.00 57.00 57.20 1axx n GLN 13 Cb 0.34 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.36 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 0.03 -3.97 3.69 6.56 0.89 -3.40 116.57 120.37 1axx h LYS 14 Ca 0.00 -0.04 -0.60 0.00 -1.06 0.00 0.00 60.65 58.95 1axx h LYS 14 Cb 0.35 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 32.04 1axx h LYS 14 CO 0.00 0.94 2.73 0.72 -2.06 0.00 0.00 179.45 181.78 1axx n HIS 15 N -4.61 2.19 0.00 -1.35 8.25 -1.05 -3.81 115.22 114.84 1axx n HIS 15 Ca -0.10 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.11 1axx n HIS 15 Cb 0.47 -1.98 0.00 0.00 1.12 0.00 0.00 29.99 29.60 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 5.77 0.00 -1.25 -0.41 2.85 -1.25 -2.76 118.16 121.12 1axx n LYS 16 Ca 0.52 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.49 1axx n LYS 16 Cb 0.32 -0.60 0.15 0.00 -0.65 0.00 0.00 35.03 34.24 1axx n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1axx s ASP 17 N -4.31 3.22 0.83 -5.58 1.01 -1.25 -4.65 116.67 105.94 1axx s ASP 17 Ca 0.00 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1axx s ASP 17 Cb 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1axx s ASP 17 CO 0.00 -2.78 0.00 -0.24 0.21 0.00 0.00 175.17 172.36 1axx n SER 18 N -3.95 -2.22 0.04 0.27 2.88 -1.26 -3.66 113.62 105.71 1axx n SER 18 Ca 0.06 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.73 1axx n SER 18 Cb 0.56 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.42 1axx n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1axx n LYS 19 N 0.00 0.12 -1.26 -1.46 2.85 -1.26 -4.64 118.16 112.51 1axx n LYS 19 Ca 0.00 0.07 -0.37 0.00 -1.05 0.00 0.00 58.31 56.96 1axx n LYS 19 Cb 0.00 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 32.74 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1axx n SER 20 N -1.81 4.92 -4.55 -5.58 2.88 -1.24 -4.54 113.62 103.70 1axx n SER 20 Ca 0.06 -2.62 -0.42 0.00 -1.33 0.00 0.00 58.87 54.55 1axx n SER 20 Cb 0.38 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1axx s THR 21 N 3.46 4.15 0.33 2.46 2.01 -1.26 -3.93 115.64 122.85 1axx s THR 21 Ca 0.53 0.55 0.04 0.00 0.31 0.00 0.00 61.69 63.12 1axx s THR 21 Cb 0.14 -4.67 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 1axx s THR 21 CO -0.02 -1.31 0.50 0.26 -0.69 0.00 0.00 174.62 173.36 1axx s TRP 22 N 4.59 3.32 -0.08 4.92 0.52 -1.11 -2.30 118.94 128.80 1axx s TRP 22 Ca 0.36 0.05 -0.23 0.00 0.02 0.00 0.00 56.10 56.31 1axx s TRP 22 Cb -0.10 -1.91 0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1axx s TRP 22 CO 0.21 0.08 0.53 0.14 0.02 0.00 0.00 176.95 177.93 1axx s VAL 23 N -2.23 0.02 -0.19 4.03 -7.23 -1.02 0.34 120.40 114.11 1axx s VAL 23 Ca 0.41 -0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 60.40 1axx s VAL 23 Cb -0.09 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1axx s VAL 23 CO 0.33 -0.08 -0.06 0.27 -0.31 0.00 0.00 175.10 175.25 1axx s ILE 24 N -0.82 3.41 -0.12 -0.62 -5.25 -0.69 -1.25 121.20 115.86 1axx s ILE 24 Ca -0.09 -0.50 0.00 0.00 -0.99 0.00 0.00 60.65 59.08 1axx s ILE 24 Cb -0.03 -2.52 0.02 0.00 2.95 0.00 0.00 42.46 42.88 1axx s ILE 24 CO 0.06 0.45 -0.10 -0.76 -1.79 0.00 0.00 174.94 172.79 1axx s LEU 25 N 1.10 1.40 -1.28 0.37 1.43 -0.39 -2.19 118.68 119.12 1axx s LEU 25 Ca 0.01 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1axx s LEU 25 Cb -0.15 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1axx s LEU 25 CO -0.01 -0.08 0.72 1.41 0.23 0.00 0.00 176.35 178.62 1axx n HIS 26 N 4.73 -1.94 -2.73 0.29 8.25 -1.26 -2.00 115.22 120.57 1axx n HIS 26 Ca -0.15 0.82 -0.20 0.00 -0.26 0.00 0.00 57.72 57.93 1axx n HIS 26 Cb 0.50 -4.33 0.01 0.00 1.12 0.00 0.00 29.99 27.29 1axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1axx n HIS 27 N -4.22 -1.51 -3.97 4.41 8.25 -1.26 -4.97 115.22 111.95 1axx n HIS 27 Ca -0.28 0.22 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 1axx n HIS 27 Cb 0.67 -3.68 -0.17 0.00 1.12 0.00 0.00 29.99 27.94 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 -5.38 0.63 -0.24 -0.41 1.02 -0.85 -3.62 119.74 110.90 1axx s LYS 28 Ca 0.15 0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.95 1axx s LYS 28 Cb -0.07 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.42 1axx s LYS 28 CO 0.18 -0.17 0.62 0.08 -0.92 0.00 0.00 175.35 175.14 1axx s VAL 29 N 1.31 5.00 -0.11 3.17 1.01 -1.19 -1.26 120.40 128.33 1axx s VAL 29 Ca -0.05 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.05 1axx s VAL 29 Cb -0.13 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1axx s VAL 29 CO -0.02 0.06 -0.13 -0.31 0.00 0.00 0.00 175.10 174.69 1axx s TYR 30 N 2.33 2.79 -0.30 5.22 2.02 -0.38 -1.06 117.35 127.97 1axx s TYR 30 Ca 0.26 -0.53 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 1axx s TYR 30 Cb -0.16 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1axx s TYR 30 CO 0.09 -0.12 0.54 0.34 -1.57 0.00 0.00 175.55 174.83 1axx s ASP 31 N 0.11 6.42 -0.14 2.29 2.15 -0.62 -2.45 116.67 124.43 1axx s ASP 31 Ca -0.06 0.36 0.17 0.00 0.43 0.00 0.00 52.55 53.45 1axx s ASP 31 Cb -0.15 -2.29 0.37 0.00 -0.30 0.00 0.00 42.92 40.55 1axx s ASP 31 CO 0.05 -0.39 1.25 0.18 -0.17 0.00 0.00 175.17 176.09 1axx n LEU 32 N 5.68 2.92 -0.10 -1.34 4.77 -0.97 -4.79 117.00 123.17 1axx n LEU 32 Ca -0.03 -3.01 -0.06 0.00 -0.03 0.00 0.00 56.01 52.87 1axx n LEU 32 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1axx n LEU 32 CO 0.43 0.69 0.74 0.74 -1.33 0.00 0.00 177.39 178.66 1axx h THR 33 N 0.70 0.47 -0.35 -5.08 2.02 -1.79 0.11 112.91 109.00 1axx h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1axx h THR 33 Cb 1.14 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1axx h THR 33 CO 0.08 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.26 1axx n LYS 34 N -5.35 3.32 0.00 6.66 5.02 -1.26 -3.87 118.16 122.67 1axx n LYS 34 Ca 0.01 -1.88 0.04 0.00 -2.02 0.00 0.00 58.31 54.46 1axx n LYS 34 Cb 0.27 -1.95 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.38 0.00 0.01 2.13 7.35 0.36 -4.59 117.46 123.10 1axx n PHE 35 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 1axx n PHE 35 Cb 0.81 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.58 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 -1.03 -0.15 -2.13 3.38 -1.59 0.24 115.31 114.51 1axx h LEU 36 Ca 0.00 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1axx h LEU 36 Cb 0.23 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1axx h LEU 36 CO 0.00 -0.30 -0.14 -0.33 0.09 0.00 0.00 178.44 177.76 1axx h GLU 37 N -0.37 0.36 -0.89 1.13 3.07 -1.87 -2.51 114.58 113.51 1axx h GLU 37 Ca 0.02 -0.19 0.15 0.00 -0.50 0.00 0.00 59.36 58.84 1axx h GLU 37 Cb 0.42 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.26 1axx h GLU 37 CO -0.25 0.74 0.58 0.93 -1.40 0.00 0.00 179.01 179.61 1axx h GLU 38 N -0.00 0.63 -6.04 2.33 4.39 -1.74 -3.42 114.58 110.73 1axx h GLU 38 Ca 0.02 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 59.00 1axx h GLU 38 Cb 0.67 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1axx h GLU 38 CO 0.04 0.42 1.31 1.58 -1.16 0.00 0.00 179.01 181.19 1axx n HIS 39 N -4.56 1.71 -1.92 4.33 -0.00 0.83 -4.81 115.22 110.80 1axx n HIS 39 Ca 0.18 0.32 -0.32 0.00 0.46 0.00 0.00 57.72 58.35 1axx n HIS 39 Cb 0.51 -2.52 -0.06 0.00 -0.12 0.00 0.00 29.99 27.80 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 7.60 1.70 0.00 1.57 -0.04 -1.26 -0.93 135.00 143.64 1axx n PRO 40 Ca 0.38 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1axx n PRO 40 Cb 0.21 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.11 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 5.50 0.96 0.00 0.55 0.00 -1.26 -5.17 105.19 105.76 1axx n GLY 41 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 3.27 0.07 -0.02 0.00 -0.11 -4.88 105.19 103.53 1axx n GLY 42 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -0.02 1.61 4.22 -1.73 -3.37 114.58 115.29 1axx h GLU 43 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1axx h GLU 43 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1axx h GLU 43 CO 0.00 0.63 -0.17 1.49 -2.18 0.00 0.00 179.01 178.78 1axx h GLU 44 N -1.00 -0.26 -0.93 1.92 4.81 -1.92 0.35 114.58 117.54 1axx h GLU 44 Ca -0.06 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.42 1axx h GLU 44 Cb 0.73 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.11 1axx h GLU 44 CO -0.04 -0.17 0.63 -0.39 -0.73 0.00 0.00 179.01 178.31 1axx h VAL 45 N -0.27 0.62 0.17 0.32 -1.51 -1.90 0.40 116.25 114.08 1axx h VAL 45 Ca 0.06 -0.11 -0.31 0.00 -1.23 0.00 0.00 66.70 65.12 1axx h VAL 45 Cb 0.35 0.27 0.03 0.00 -2.13 0.00 0.00 31.29 29.81 1axx h VAL 45 CO -0.18 0.06 -1.33 0.25 -1.23 0.00 0.00 177.57 175.14 1axx h LEU 46 N 0.32 0.74 0.00 4.19 7.12 -0.62 -3.30 115.31 123.75 1axx h LEU 46 Ca 0.49 -0.75 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1axx h LEU 46 Cb 1.37 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1axx h LEU 46 CO -0.16 1.57 -0.19 -1.14 -0.13 0.00 0.00 178.44 178.38 1axx n ARG 47 N -3.70 0.07 -0.18 1.25 0.00 0.50 -4.05 116.66 110.55 1axx n ARG 47 Ca -0.13 0.04 -0.02 0.00 -0.00 0.00 0.00 57.85 57.74 1axx n ARG 47 Cb 1.04 -1.56 0.05 0.00 0.00 0.00 0.00 32.46 31.98 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 0.01 0.00 -0.14 4.39 -0.37 -3.31 114.58 115.16 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 0.56 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1axx h GLU 48 CO 0.00 0.01 -0.04 1.04 -1.16 0.00 0.00 179.01 178.86 1axx n GLN 49 N -5.37 0.02 -1.38 2.33 1.13 -1.26 -5.12 117.38 107.74 1axx n GLN 49 Ca 0.06 0.12 0.16 0.00 -1.94 0.00 0.00 57.00 55.40 1axx n GLN 49 Cb 0.29 -0.66 -0.08 0.00 0.11 0.00 0.00 30.24 29.90 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 -2.47 -3.61 -3.51 -1.58 0.00 -1.25 -4.88 120.51 103.21 1axx n ALA 50 Ca -0.01 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.06 1axx n ALA 50 Cb 0.02 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 -4.22 -0.60 0.00 0.00 0.00 0.15 -4.84 105.19 95.68 1axx n GLY 51 Ca -0.08 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.31 -0.70 3.58 -0.02 0.00 -1.26 -3.97 105.19 101.51 1axx n GLY 52 Ca -0.13 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 3.94 0.00 1.61 1.11 -1.26 -1.70 116.67 120.37 1axx s ASP 53 Ca 0.00 -1.15 0.31 0.00 0.18 0.00 0.00 52.55 51.89 1axx s ASP 53 Cb 0.00 -2.59 1.71 0.00 1.07 0.00 0.00 42.92 43.10 1axx s ASP 53 CO 0.00 -4.21 2.13 0.00 1.18 0.00 0.00 175.17 174.27 1axx n ALA 54 N 18.01 2.62 -0.29 5.23 0.00 -0.93 -3.93 120.51 141.22 1axx n ALA 54 Ca 0.43 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.73 1axx n ALA 54 Cb 0.47 -1.48 0.16 0.00 0.00 0.00 0.00 19.45 18.59 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 0.13 0.20 -0.64 0.00 2.02 -1.81 0.11 112.91 112.92 1axx h THR 55 Ca 0.00 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.28 1axx h THR 55 Cb 0.14 0.16 -0.12 0.00 -1.74 0.00 0.00 68.15 66.58 1axx h THR 55 CO 0.00 0.01 -0.31 -0.08 0.37 0.00 0.00 175.52 175.51 1axx h GLU 56 N 0.04 -0.12 0.13 6.66 4.81 -1.92 0.23 114.58 124.41 1axx h GLU 56 Ca 0.44 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1axx h GLU 56 Cb 0.77 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1axx h GLU 56 CO -0.80 -0.08 -0.06 -0.97 -0.73 0.00 0.00 179.01 176.37 1axx h ASN 57 N -0.12 -0.14 -0.92 1.04 -0.73 -1.35 0.58 115.58 113.93 1axx h ASN 57 Ca 0.26 -0.31 0.19 0.00 1.87 0.00 0.00 56.30 58.32 1axx h ASN 57 Cb 0.55 0.04 -0.08 0.00 0.27 0.00 0.00 38.32 39.10 1axx h ASN 57 CO -0.71 0.25 0.60 0.15 -0.37 0.00 0.00 177.43 177.35 1axx h PHE 58 N -0.56 0.68 0.07 0.67 3.57 0.02 -0.12 116.94 121.28 1axx h PHE 58 Ca -0.02 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.21 1axx h PHE 58 Cb 0.44 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1axx h PHE 58 CO 0.05 0.18 -1.55 0.93 -2.23 0.00 0.00 178.31 175.69 1axx h GLU 59 N 0.52 0.16 -0.42 1.11 4.39 -0.57 -1.98 114.58 117.78 1axx h GLU 59 Ca 0.49 -0.27 0.09 0.00 0.34 0.00 0.00 59.36 60.01 1axx h GLU 59 Cb 1.06 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 1axx h GLU 59 CO -0.22 0.96 -0.15 0.22 -1.16 0.00 0.00 179.01 178.66 1axx h ASP 60 N 0.04 -0.53 1.32 1.42 3.58 0.88 0.10 116.42 123.24 1axx h ASP 60 Ca -0.24 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1axx h ASP 60 Cb 1.98 0.31 0.00 0.00 1.72 0.00 0.00 39.33 43.35 1axx h ASP 60 CO 0.13 -0.19 0.00 -0.37 -2.88 0.00 0.00 179.24 175.94 1axx h VAL 61 N -0.06 0.00 0.00 2.25 -1.51 -1.33 -3.47 116.25 112.12 1axx h VAL 61 Ca 0.21 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1axx h VAL 61 Cb 0.37 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1axx h VAL 61 CO -0.47 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.48 1axx n GLY 62 N 0.79 1.43 1.17 5.19 0.00 0.35 -4.87 105.19 109.26 1axx n GLY 62 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.19 -1.62 1.61 8.25 -1.25 -4.63 115.22 114.39 1axx n HIS 63 Ca 0.00 1.74 -0.30 0.00 -0.26 0.00 0.00 57.72 58.90 1axx n HIS 63 Cb 0.00 -2.84 0.08 0.00 1.12 0.00 0.00 29.99 28.35 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 -5.64 4.77 0.30 0.41 0.01 -1.26 -4.96 113.70 107.33 1axx s SER 64 Ca 0.00 1.31 0.02 0.00 1.31 0.00 0.00 55.95 58.59 1axx s SER 64 Cb 0.00 -2.07 0.59 0.00 0.21 0.00 0.00 66.02 64.75 1axx s SER 64 CO 0.00 -1.79 1.86 0.74 0.41 0.00 0.00 173.24 174.45 1axx h THR 65 N -0.97 0.93 0.01 1.44 2.02 -2.00 -2.63 112.91 111.72 1axx h THR 65 Ca -0.46 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.42 1axx h THR 65 Cb 1.26 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1axx h THR 65 CO 0.60 0.17 -0.38 -0.78 0.37 0.00 0.00 175.52 175.50 1axx h ASP 66 N 0.95 -1.15 -0.95 4.18 1.82 -1.99 -0.16 116.42 119.12 1axx h ASP 66 Ca 0.47 0.14 0.21 0.00 -0.39 0.00 0.00 57.03 57.46 1axx h ASP 66 Cb 0.47 0.45 -0.11 0.00 0.68 0.00 0.00 39.33 40.82 1axx h ASP 66 CO -0.23 -0.43 0.52 0.00 -1.61 0.00 0.00 179.24 177.48 1axx h ALA 67 N 0.06 1.58 -0.27 -0.78 0.00 -1.86 0.28 119.26 118.28 1axx h ALA 67 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1axx h ALA 67 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1axx h ALA 67 CO -0.29 -0.20 0.13 0.00 0.00 0.00 0.00 179.25 178.89 1axx h ARG 68 N 0.59 0.38 -0.68 0.00 3.08 -0.88 0.21 114.38 117.08 1axx h ARG 68 Ca 0.57 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.50 1axx h ARG 68 Cb 0.99 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1axx h ARG 68 CO -0.44 0.37 0.16 0.93 -1.07 0.00 0.00 179.97 179.91 1axx h GLU 69 N 0.30 1.09 -0.71 0.04 4.39 0.13 -2.84 114.58 116.98 1axx h GLU 69 Ca 0.09 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.58 1axx h GLU 69 Cb 0.11 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1axx h GLU 69 CO -0.01 0.96 0.43 1.25 -1.16 0.00 0.00 179.01 180.48 1axx h LEU 70 N 1.03 0.69 -0.90 1.33 7.12 -0.19 -1.27 115.31 123.12 1axx h LEU 70 Ca 0.22 0.01 0.19 0.00 0.13 0.00 0.00 57.88 58.42 1axx h LEU 70 Cb 0.36 -0.14 -0.11 0.00 -0.53 0.00 0.00 40.66 40.25 1axx h LEU 70 CO 0.00 0.47 0.46 0.77 -0.13 0.00 0.00 178.44 180.01 1axx h SER 71 N 0.82 0.51 -0.82 1.25 4.64 -0.34 -0.75 113.55 118.87 1axx h SER 71 Ca 0.29 0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.84 1axx h SER 71 Cb 0.08 0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.14 1axx h SER 71 CO -0.13 0.14 0.46 0.11 -0.87 0.00 0.00 176.83 176.53 1axx h LYS 72 N 0.56 0.72 -0.07 4.77 1.57 -1.20 0.33 116.57 123.25 1axx h LYS 72 Ca 0.53 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.29 1axx h LYS 72 Cb 0.89 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1axx h LYS 72 CO -0.43 0.47 0.15 1.15 -0.57 0.00 0.00 179.45 180.22 1axx h THR 73 N 0.74 0.23 -0.22 -0.16 2.02 -1.14 -1.10 112.91 113.27 1axx h THR 73 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1axx h THR 73 Cb 0.43 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1axx h THR 73 CO -0.28 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.39 1axx n TYR 74 N -3.39 0.27 -2.12 3.16 4.02 0.11 -4.99 117.16 114.22 1axx n TYR 74 Ca -0.01 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 1axx n TYR 74 Cb 0.24 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 1axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1axx s ILE 75 N -1.38 3.17 -0.21 -0.72 2.07 -0.42 -1.59 121.20 122.12 1axx s ILE 75 Ca 0.28 0.84 0.07 0.00 -1.41 0.00 0.00 60.65 60.43 1axx s ILE 75 Cb 0.17 -3.54 -0.18 0.00 0.13 0.00 0.00 42.46 39.05 1axx s ILE 75 CO 0.25 0.07 -0.11 2.30 -1.91 0.00 0.00 174.94 175.53 1axx n ILE 76 N 3.95 1.31 0.00 2.00 -5.35 -0.22 -4.88 119.36 116.17 1axx n ILE 76 Ca 0.12 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1axx n ILE 76 Cb 0.42 -1.03 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 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 2.20 2.62 3.56 3.28 0.00 -1.19 -3.84 105.19 111.82 1axx n GLY 77 Ca -0.37 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1axx n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1axx s GLU 78 N 4.97 1.73 0.16 1.61 -6.30 -1.22 -3.19 118.70 116.47 1axx s GLU 78 Ca 0.00 -1.45 -0.30 0.00 -2.50 0.00 0.00 54.97 50.72 1axx s GLU 78 Cb 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 34.13 34.53 1axx s GLU 78 CO 0.00 -0.73 1.00 -0.51 0.02 0.00 0.00 175.26 175.04 1axx s LEU 79 N -3.10 4.53 0.12 2.70 1.02 -1.24 -0.93 118.68 121.78 1axx s LEU 79 Ca 0.25 1.92 -0.35 0.00 0.02 0.00 0.00 54.13 55.97 1axx s LEU 79 Cb -0.01 -3.60 -0.16 0.00 0.02 0.00 0.00 46.19 42.44 1axx s LEU 79 CO 0.13 -0.06 1.27 1.57 0.02 0.00 0.00 176.35 179.28 1axx n HIS 80 N 2.34 1.42 0.04 0.29 -0.00 0.47 -4.73 115.22 115.05 1axx n HIS 80 Ca 0.01 0.66 0.15 0.00 0.46 0.00 0.00 57.72 59.00 1axx n HIS 80 Cb 0.48 -2.31 0.63 0.00 -0.12 0.00 0.00 29.99 28.67 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 4.07 0.11 -0.66 1.57 0.13 -1.93 -0.90 132.00 134.39 1axx h PRO 81 Ca -0.46 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 1axx h PRO 81 Cb 1.34 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 1axx h PRO 81 CO 0.75 0.07 -0.21 -3.47 -0.23 0.00 0.00 178.00 174.91 1axx n ASP 82 N -4.44 -0.32 -1.38 1.44 2.03 -1.26 -0.57 116.55 112.05 1axx n ASP 82 Ca 0.07 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.44 1axx n ASP 82 Cb 0.42 -0.31 0.18 0.00 -0.72 0.00 0.00 41.12 40.69 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 -5.04 3.01 0.00 1.67 -0.08 -0.34 -4.54 116.55 111.23 1axx n ASP 83 Ca 0.09 -3.79 0.00 0.00 -1.51 0.00 0.00 54.79 49.58 1axx n ASP 83 Cb 0.30 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.12 1axx n ASP 83 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1axx n ARG 84 N -1.09 0.00 -0.47 -0.67 0.00 0.26 -4.58 116.66 110.12 1axx n ARG 84 Ca 0.38 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 58.16 1axx n ARG 84 Cb 1.06 -0.71 0.09 0.00 0.00 0.00 0.00 32.46 32.90 1axx n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1axx n SER 85 N -2.57 3.22 -1.67 6.15 2.88 -0.40 -3.98 113.62 117.25 1axx n SER 85 Ca 0.00 -2.59 -0.04 0.00 -1.33 0.00 0.00 58.87 54.91 1axx n SER 85 Cb 0.42 -0.62 0.02 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.07 0.55 -2.02 -1.46 4.81 -1.26 -5.09 118.16 113.62 1axx n LYS 86 Ca 0.21 -0.93 -0.42 0.00 -0.87 0.00 0.00 58.31 56.31 1axx n LYS 86 Cb 0.90 0.44 -0.03 0.00 0.02 0.00 0.00 35.03 36.36 1axx n LYS 86 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1axx s ILE 87 N 0.05 2.77 0.35 3.15 1.01 -1.26 -4.97 121.20 122.31 1axx s ILE 87 Ca 0.04 0.60 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 1axx s ILE 87 Cb 0.18 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 39.17 1axx s ILE 87 CO -0.05 0.07 1.32 0.00 0.00 0.00 0.00 174.94 176.28 1axx s ALA 88 N 0.50 3.46 -0.54 9.38 0.00 -1.26 -5.01 121.76 128.29 1axx s ALA 88 Ca 0.63 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.90 1axx s ALA 88 Cb -0.41 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.36 1axx s ALA 88 CO 0.37 -0.69 0.29 0.15 0.00 0.00 0.00 175.76 175.88 1axx s LYS 89 N -1.89 2.03 0.71 0.00 -0.14 -1.26 -5.11 119.74 114.08 1axx s LYS 89 Ca 0.50 -2.72 -0.12 0.00 -1.36 0.00 0.00 55.97 52.28 1axx s LYS 89 Cb -0.40 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1axx s LYS 89 CO 0.53 -1.14 1.08 -1.25 -0.76 0.00 0.00 175.35 173.81 1axx s PRO 90 N -0.45 2.66 -0.14 -1.68 0.04 -1.26 -5.06 135.00 129.11 1axx s PRO 90 Ca 0.18 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 1axx s PRO 90 Cb -0.23 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1axx s PRO 90 CO -0.02 -1.33 -0.06 -1.54 0.04 0.00 0.00 177.00 174.09 1axx s SER 91 N -3.33 4.60 0.52 6.66 1.04 -1.26 -5.13 113.70 116.81 1axx s SER 91 Ca 0.61 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.93 1axx s SER 91 Cb -0.17 -1.70 0.04 0.00 0.10 0.00 0.00 66.02 64.30 1axx s SER 91 CO 0.51 0.18 0.72 -1.61 0.98 0.00 0.00 173.24 174.03 1axx s GLU 92 N 0.28 2.52 0.29 4.02 2.02 -1.26 -5.14 118.70 121.41 1axx s GLU 92 Ca -0.05 -1.16 -0.17 0.00 0.02 0.00 0.00 54.97 53.61 1axx s GLU 92 Cb -0.14 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1axx s GLU 92 CO 0.04 -0.65 0.64 -0.08 0.02 0.00 0.00 175.26 175.23 1axx s THR 93 N -2.62 0.00 0.00 3.63 -1.32 -1.26 -5.35 115.64 108.72 1axx s THR 93 Ca 0.58 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1axx s THR 93 Cb -0.09 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 1axx s THR 93 CO 0.37 0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.67