#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 0.00 -7.71 -1.24 1.57 -2.08 -3.43 116.57 103.68 1axx h LYS 2 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1axx h LYS 2 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.46 1axx h LYS 2 CO 0.00 0.03 0.38 0.16 -0.57 0.00 0.00 179.45 179.45 1axx s ASP 3 N -6.10 3.24 0.00 0.86 -4.77 -1.26 -5.11 116.67 103.53 1axx s ASP 3 Ca -0.05 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 1axx s ASP 3 Cb 0.15 -0.69 0.00 0.00 -1.09 0.00 0.00 42.92 41.29 1axx s ASP 3 CO 0.55 -2.67 0.00 1.33 0.70 0.00 0.00 175.17 175.08 1axx n VAL 4 N -3.77 0.00 -1.21 2.11 0.24 -1.26 -4.81 118.33 109.63 1axx n VAL 4 Ca 0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.13 1axx n VAL 4 Cb 0.60 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 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 3.10 -1.88 7.34 5.02 -1.25 -4.11 118.16 126.38 1axx n LYS 5 Ca 0.00 -1.78 -0.42 0.00 -2.02 0.00 0.00 58.31 54.09 1axx n LYS 5 Cb 0.00 -2.51 -0.03 0.00 -0.02 0.00 0.00 35.03 32.47 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 1.71 2.08 0.06 2.13 1.51 -1.26 -2.59 117.35 120.99 1axx s TYR 6 Ca 0.69 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.93 1axx s TYR 6 Cb 0.23 -4.03 -0.03 0.00 -0.11 0.00 0.00 41.96 38.03 1axx s TYR 6 CO -0.04 -4.28 -0.19 0.71 -1.11 0.00 0.00 175.55 170.64 1axx s TYR 7 N 3.30 1.69 0.87 2.71 2.02 0.44 -4.70 117.35 123.68 1axx s TYR 7 Ca 0.77 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.98 1axx s TYR 7 Cb -0.39 -0.98 0.17 0.00 -0.40 0.00 0.00 41.96 40.35 1axx s TYR 7 CO 0.34 0.11 1.20 0.95 -1.57 0.00 0.00 175.55 176.57 1axx s THR 8 N -0.92 2.06 0.01 -0.71 -4.23 -1.26 -0.53 115.64 110.05 1axx s THR 8 Ca 0.06 -0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.18 1axx s THR 8 Cb -0.09 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 1axx s THR 8 CO 0.02 0.00 0.99 -0.07 -0.54 0.00 0.00 174.62 175.02 1axx h LEU 9 N -1.21 -0.54 -0.93 4.79 -0.00 -1.92 -1.16 115.31 114.34 1axx h LEU 9 Ca -0.42 0.02 0.22 0.00 -0.00 0.00 0.00 57.88 57.70 1axx h LEU 9 Cb 1.25 0.14 -0.17 0.00 -0.00 0.00 0.00 40.66 41.88 1axx h LEU 9 CO 0.40 -0.30 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.14 1axx h GLU 10 N -0.82 0.02 0.14 1.13 3.07 -1.96 0.11 114.58 116.28 1axx h GLU 10 Ca -0.07 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1axx h GLU 10 Cb 0.49 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 1axx h GLU 10 CO 0.11 0.02 -0.43 1.49 -1.40 0.00 0.00 179.01 178.80 1axx h GLU 11 N 0.02 -0.61 -1.83 2.33 4.57 -1.92 -2.45 114.58 114.68 1axx h GLU 11 Ca 0.51 0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 58.49 1axx h GLU 11 Cb 0.94 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.58 1axx h GLU 11 CO -0.89 -0.41 0.14 -0.89 -1.18 0.00 0.00 179.01 175.78 1axx n ILE 12 N -4.89 2.70 0.00 2.32 2.08 0.27 -3.48 119.36 118.37 1axx n ILE 12 Ca -0.07 -1.55 0.00 0.00 0.56 0.00 0.00 62.75 61.69 1axx n ILE 12 Cb 0.34 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 1axx n ILE 12 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1axx n GLN 13 N 1.17 0.00 0.13 0.38 7.27 -0.56 -3.94 117.38 121.83 1axx n GLN 13 Ca 0.27 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.47 1axx n GLN 13 Cb 0.61 -0.60 0.46 0.00 2.41 0.00 0.00 30.24 33.12 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 0.00 -5.62 3.69 6.56 -1.58 -3.40 116.57 116.22 1axx h LYS 14 Ca 0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.29 1axx h LYS 14 Cb 0.84 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.46 1axx h LYS 14 CO 0.00 0.00 0.82 -1.01 -2.06 0.00 0.00 179.45 177.20 1axx s HIS 15 N -3.25 1.84 0.00 -1.35 3.76 -1.26 -3.83 115.29 111.20 1axx s HIS 15 Ca 0.07 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1axx s HIS 15 Cb 0.10 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1axx s HIS 15 CO 0.49 -1.56 0.00 0.36 -0.85 0.00 0.00 174.74 173.18 1axx n LYS 16 N 8.66 0.00 -0.88 1.40 2.85 -1.26 -2.78 118.16 126.16 1axx n LYS 16 Ca 0.42 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.39 1axx n LYS 16 Cb 0.47 -0.02 0.23 0.00 -0.65 0.00 0.00 35.03 35.05 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 -1.81 1.36 1.00 -5.58 1.01 -1.25 -4.63 116.67 106.76 1axx s ASP 17 Ca 0.00 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.39 1axx s ASP 17 Cb 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1axx s ASP 17 CO 0.00 -3.91 0.00 -0.24 0.21 0.00 0.00 175.17 171.23 1axx n SER 18 N -4.68 -0.69 -1.43 0.27 2.88 -1.26 -3.34 113.62 105.36 1axx n SER 18 Ca 0.06 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.70 1axx n SER 18 Cb 0.57 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.36 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 3.24 -2.93 -1.46 2.85 -1.26 -4.80 118.16 113.80 1axx n LYS 19 Ca 0.00 -2.60 -0.37 0.00 -1.05 0.00 0.00 58.31 54.29 1axx n LYS 19 Cb 0.00 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 32.62 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 1.20 5.96 -4.68 -5.58 2.88 -1.21 -4.76 113.62 107.44 1axx n SER 20 Ca 0.24 -3.58 -0.41 0.00 -1.33 0.00 0.00 58.87 53.79 1axx n SER 20 Cb 0.75 -1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.18 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 -3.65 4.91 0.27 2.46 2.01 -1.26 -4.23 115.64 116.14 1axx s THR 21 Ca 0.39 1.61 0.10 0.00 0.31 0.00 0.00 61.69 64.10 1axx s THR 21 Cb 0.16 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1axx s THR 21 CO -0.05 0.06 -0.01 0.26 -0.69 0.00 0.00 174.62 174.20 1axx s TRP 22 N 1.92 2.68 -0.04 4.92 0.52 -1.26 -2.95 118.94 124.73 1axx s TRP 22 Ca 0.38 -0.22 -0.09 0.00 0.02 0.00 0.00 56.10 56.19 1axx s TRP 22 Cb -0.17 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 1axx s TRP 22 CO 0.14 0.62 0.21 0.14 0.02 0.00 0.00 176.95 178.08 1axx s VAL 23 N -2.33 0.04 -0.97 4.03 -7.23 -1.00 -0.20 120.40 112.74 1axx s VAL 23 Ca 0.31 -0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 60.08 1axx s VAL 23 Cb -0.06 -0.41 0.25 0.00 0.56 0.00 0.00 36.38 36.71 1axx s VAL 23 CO 0.20 -0.18 0.92 0.27 -0.31 0.00 0.00 175.10 176.00 1axx s ILE 24 N -0.65 5.37 -0.62 -0.62 -4.36 -0.47 -1.76 121.20 118.08 1axx s ILE 24 Ca -0.07 -3.33 -0.24 0.00 -0.26 0.00 0.00 60.65 56.75 1axx s ILE 24 Cb -0.04 -4.27 0.05 0.00 1.25 0.00 0.00 42.46 39.45 1axx s ILE 24 CO 0.01 -1.11 0.99 -0.76 0.24 0.00 0.00 174.94 174.31 1axx s LEU 25 N -0.94 4.14 0.00 0.37 1.43 -1.01 -4.02 118.68 118.64 1axx s LEU 25 Ca 0.27 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1axx s LEU 25 Cb -0.10 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1axx s LEU 25 CO -0.09 -1.39 0.00 1.41 0.23 0.00 0.00 176.35 176.51 1axx n HIS 26 N 7.77 -1.25 -1.13 0.29 8.25 -1.26 -3.93 115.22 123.96 1axx n HIS 26 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1axx n HIS 26 Cb 0.47 0.18 -0.05 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 -0.77 1.91 0.00 4.41 8.25 -1.26 -4.66 115.22 123.10 1axx n HIS 27 Ca 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.54 1axx n HIS 27 Cb 0.00 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.35 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 6.50 0.00 -3.91 -0.41 2.85 -1.25 -4.71 118.16 117.22 1axx n LYS 28 Ca 0.49 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.38 1axx n LYS 28 Cb 0.36 0.00 -0.06 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 -0.42 5.42 -0.10 0.58 1.01 0.03 -2.41 120.40 124.51 1axx s VAL 29 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1axx s VAL 29 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1axx s VAL 29 CO 0.00 0.60 -0.17 -0.31 0.00 0.00 0.00 175.10 175.22 1axx s TYR 30 N -1.04 2.04 -0.14 5.22 2.02 -0.72 -2.40 117.35 122.32 1axx s TYR 30 Ca 0.16 -0.89 -0.25 0.00 -0.37 0.00 0.00 57.07 55.72 1axx s TYR 30 Cb -0.12 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1axx s TYR 30 CO 0.05 -0.43 0.80 0.34 -1.57 0.00 0.00 175.55 174.74 1axx s ASP 31 N 0.74 6.96 -0.13 2.29 -1.08 -1.03 -2.38 116.67 122.05 1axx s ASP 31 Ca -0.12 1.18 0.15 0.00 -0.52 0.00 0.00 52.55 53.24 1axx s ASP 31 Cb -0.16 -2.44 0.32 0.00 -1.46 0.00 0.00 42.92 39.18 1axx s ASP 31 CO 0.02 -0.32 1.16 0.18 0.52 0.00 0.00 175.17 176.73 1axx n LEU 32 N 4.85 2.11 -0.05 -1.34 4.77 -1.15 -4.81 117.00 121.39 1axx n LEU 32 Ca 0.03 -3.08 -0.09 0.00 -0.03 0.00 0.00 56.01 52.84 1axx n LEU 32 Cb 0.49 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1axx n LEU 32 CO 0.48 0.91 0.88 0.74 -1.33 0.00 0.00 177.39 179.07 1axx h THR 33 N 1.79 0.89 -0.38 -5.08 2.02 -1.84 0.66 112.91 110.97 1axx h THR 33 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1axx h THR 33 Cb 1.13 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1axx h THR 33 CO 0.01 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.21 1axx n LYS 34 N -5.10 2.72 0.00 6.66 5.02 -1.26 -3.91 118.16 122.29 1axx n LYS 34 Ca -0.02 -1.71 0.03 0.00 -2.02 0.00 0.00 58.31 54.58 1axx n LYS 34 Cb 0.10 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.54 0.00 0.10 2.13 7.35 0.14 -4.63 117.46 123.09 1axx n PHE 35 Ca 0.15 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.69 1axx n PHE 35 Cb 0.61 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.36 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 0.46 -1.45 -0.11 -2.13 3.38 -1.45 0.24 115.31 114.25 1axx h LEU 36 Ca 0.00 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1axx h LEU 36 Cb 0.17 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1axx h LEU 36 CO 0.00 -0.52 -0.39 -0.08 0.09 0.00 0.00 178.44 177.54 1axx h GLU 37 N -0.69 0.46 -0.66 1.13 4.81 -1.87 -2.76 114.58 115.00 1axx h GLU 37 Ca 0.01 -0.35 0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1axx h GLU 37 Cb 0.72 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1axx h GLU 37 CO -0.29 0.97 0.44 0.93 -0.73 0.00 0.00 179.01 180.33 1axx h GLU 38 N 0.04 0.46 -6.03 1.92 5.08 -1.76 -3.43 114.58 110.85 1axx h GLU 38 Ca -0.02 -0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.61 1axx h GLU 38 Cb 1.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1axx h GLU 38 CO 0.08 0.30 1.27 1.58 -1.00 0.00 0.00 179.01 181.25 1axx n HIS 39 N -4.48 1.65 -1.80 4.33 -0.00 0.83 -4.80 115.22 110.95 1axx n HIS 39 Ca 0.11 0.42 -0.33 0.00 0.46 0.00 0.00 57.72 58.38 1axx n HIS 39 Cb 0.38 -2.47 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 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 7.38 1.61 0.00 1.57 -0.04 -1.26 -0.75 135.00 143.51 1axx n PRO 40 Ca 0.40 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1axx n PRO 40 Cb 0.16 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.14 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 5.40 0.87 0.00 0.55 0.00 -1.26 -5.17 105.19 105.58 1axx n GLY 41 Ca 0.46 -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 2.78 0.09 -0.02 0.00 0.07 -4.85 105.19 103.26 1axx n GLY 42 Ca 0.00 -2.05 -0.17 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 0.11 -0.28 1.61 4.81 -1.77 -3.35 114.58 115.71 1axx h GLU 43 Ca 0.00 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1axx h GLU 43 Cb 0.00 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1axx h GLU 43 CO 0.00 1.09 0.08 1.49 -0.73 0.00 0.00 179.01 180.93 1axx h GLU 44 N -0.77 0.19 -0.90 1.92 4.22 -1.91 0.46 114.58 117.79 1axx h GLU 44 Ca -0.08 -0.01 0.20 0.00 0.08 0.00 0.00 59.36 59.54 1axx h GLU 44 Cb 1.26 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1axx h GLU 44 CO 0.04 0.12 0.59 -0.39 -2.18 0.00 0.00 179.01 177.19 1axx h VAL 45 N 0.19 0.69 -0.03 0.32 -1.51 -1.89 0.36 116.25 114.38 1axx h VAL 45 Ca 0.13 -0.15 -0.25 0.00 -1.23 0.00 0.00 66.70 65.19 1axx h VAL 45 Cb 0.11 0.22 0.02 0.00 -2.13 0.00 0.00 31.29 29.51 1axx h VAL 45 CO -0.15 0.08 -0.98 -0.07 -1.23 0.00 0.00 177.57 175.22 1axx h LEU 46 N 0.43 0.87 -0.03 4.19 3.38 -0.38 -3.25 115.31 120.52 1axx h LEU 46 Ca 0.47 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1axx h LEU 46 Cb 1.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1axx h LEU 46 CO -0.18 1.47 -0.01 -1.14 0.09 0.00 0.00 178.44 178.67 1axx n ARG 47 N -3.85 0.56 -0.07 1.13 0.00 0.59 -3.90 116.66 111.12 1axx n ARG 47 Ca -0.10 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.85 57.65 1axx n ARG 47 Cb 0.85 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.81 1axx n ARG 47 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1axx h GLU 48 N 0.08 0.05 0.00 -0.14 4.22 -0.41 -3.36 114.58 115.02 1axx h GLU 48 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1axx h GLU 48 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1axx h GLU 48 CO 0.00 0.03 -0.39 1.04 -2.18 0.00 0.00 179.01 177.51 1axx n GLN 49 N -5.19 0.21 -1.34 1.92 1.13 -1.26 -4.94 117.38 107.90 1axx n GLN 49 Ca -0.00 0.08 0.16 0.00 -1.94 0.00 0.00 57.00 55.30 1axx n GLN 49 Cb 0.15 -0.80 -0.06 0.00 0.11 0.00 0.00 30.24 29.64 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 -3.39 -3.59 -4.06 -1.58 0.00 -1.25 -4.69 120.51 101.94 1axx n ALA 50 Ca -0.05 0.61 -0.27 0.00 0.00 0.00 0.00 53.44 53.72 1axx n ALA 50 Cb 0.20 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 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 -4.01 -0.12 3.57 0.00 0.00 0.72 -4.78 105.19 100.57 1axx n GLY 51 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1axx s GLY 52 N -4.18 -0.48 -1.28 -0.02 0.00 -1.25 -4.39 107.32 95.72 1axx s GLY 52 Ca 0.01 0.90 -0.13 0.00 0.00 0.00 0.00 44.72 45.50 1axx s GLY 52 CO 0.86 0.19 2.37 2.09 0.00 0.00 0.00 173.10 178.61 1axx n ASP 53 N -0.50 5.26 0.00 1.64 5.68 -1.26 -1.37 116.55 126.00 1axx n ASP 53 Ca -0.10 -2.63 0.08 0.00 -0.50 0.00 0.00 54.79 51.64 1axx n ASP 53 Cb 0.64 -1.42 0.39 0.00 -1.14 0.00 0.00 41.12 39.58 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1axx n ALA 54 N 5.25 1.84 -0.27 2.12 0.00 -1.26 -2.94 120.51 125.25 1axx n ALA 54 Ca 0.58 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 54.03 1axx n ALA 54 Cb 0.30 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 18.70 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 0.45 -0.43 0.00 2.02 -1.84 0.54 112.91 113.65 1axx h THR 55 Ca 0.00 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1axx h THR 55 Cb 0.22 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.71 1axx h THR 55 CO 0.00 0.05 -0.11 -0.08 0.37 0.00 0.00 175.52 175.74 1axx h GLU 56 N 0.26 -0.01 0.08 6.66 4.81 -1.91 0.22 114.58 124.69 1axx h GLU 56 Ca 0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1axx h GLU 56 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1axx h GLU 56 CO -0.56 -0.01 -0.04 -0.97 -0.73 0.00 0.00 179.01 176.71 1axx h ASN 57 N -0.01 -0.09 -0.60 1.04 -0.73 -1.49 0.99 115.58 114.69 1axx h ASN 57 Ca 0.21 -0.25 0.12 0.00 1.87 0.00 0.00 56.30 58.25 1axx h ASN 57 Cb 0.33 0.02 -0.10 0.00 0.27 0.00 0.00 38.32 38.84 1axx h ASN 57 CO -0.45 0.20 -0.00 0.15 -0.37 0.00 0.00 177.43 176.96 1axx h PHE 58 N -0.39 -0.04 0.02 0.67 3.04 -0.28 -0.71 116.94 119.24 1axx h PHE 58 Ca -0.01 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 61.78 1axx h PHE 58 Cb 0.33 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1axx h PHE 58 CO 0.02 -0.16 -0.96 0.93 -2.02 0.00 0.00 178.31 176.13 1axx h GLU 59 N 0.12 0.07 -0.43 1.11 4.39 -0.55 0.44 114.58 119.73 1axx h GLU 59 Ca 0.31 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 60.00 1axx h GLU 59 Cb 0.49 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.10 1axx h GLU 59 CO -0.51 0.97 -0.03 0.22 -1.16 0.00 0.00 179.01 178.50 1axx h ASP 60 N 0.03 -0.24 0.74 1.42 1.82 -0.15 0.14 116.42 120.17 1axx h ASP 60 Ca -0.03 0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1axx h ASP 60 Cb 1.66 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.86 1axx h ASP 60 CO 0.13 -0.08 -0.25 0.58 -1.61 0.00 0.00 179.24 178.02 1axx h VAL 61 N 0.07 0.68 0.00 2.25 2.07 -1.01 -3.47 116.25 116.84 1axx h VAL 61 Ca 0.21 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1axx h VAL 61 Cb 0.31 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1axx h VAL 61 CO -0.38 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.06 1axx n GLY 62 N -0.06 2.28 1.17 2.17 0.00 0.13 -4.95 105.19 105.93 1axx n GLY 62 Ca -0.01 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.16 -1.35 1.61 8.25 -1.25 -4.64 115.22 114.68 1axx n HIS 63 Ca 0.00 1.74 -0.29 0.00 -0.26 0.00 0.00 57.72 58.91 1axx n HIS 63 Cb 0.00 -2.84 0.16 0.00 1.12 0.00 0.00 29.99 28.43 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 -6.08 2.98 0.24 0.41 1.04 -1.26 -4.96 113.70 106.07 1axx s SER 64 Ca 0.00 1.05 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1axx s SER 64 Cb 0.00 -1.67 0.26 0.00 0.10 0.00 0.00 66.02 64.71 1axx s SER 64 CO 0.00 -2.89 1.57 0.00 0.98 0.00 0.00 173.24 172.90 1axx h THR 65 N -1.73 1.36 -0.35 2.02 1.03 -1.99 -2.73 112.91 110.52 1axx h THR 65 Ca -0.53 -1.88 0.08 0.00 -0.01 0.00 0.00 66.41 64.07 1axx h THR 65 Cb 1.33 1.91 -0.08 0.00 -1.07 0.00 0.00 68.15 70.24 1axx h THR 65 CO 0.60 0.56 -0.19 0.44 -0.01 0.00 0.00 175.52 176.92 1axx h ASP 66 N 0.23 -0.63 -0.41 0.00 3.32 -1.99 -0.00 116.42 116.93 1axx h ASP 66 Ca 0.00 0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1axx h ASP 66 Cb 1.06 0.34 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1axx h ASP 66 CO 0.09 -0.22 -0.02 0.00 -1.72 0.00 0.00 179.24 177.37 1axx h ALA 67 N 1.10 0.36 -0.15 3.45 0.00 -1.90 0.16 119.26 122.28 1axx h ALA 67 Ca 0.18 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1axx h ALA 67 Cb 0.40 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1axx h ALA 67 CO -0.43 -0.40 -0.28 0.00 0.00 0.00 0.00 179.25 178.14 1axx h ARG 68 N 0.09 -0.32 -0.71 0.00 2.47 -0.94 0.11 114.38 115.08 1axx h ARG 68 Ca 0.20 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.89 1axx h ARG 68 Cb 0.29 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1axx h ARG 68 CO -0.35 -0.22 0.24 0.93 0.56 0.00 0.00 179.97 181.13 1axx h GLU 69 N -0.34 1.09 -0.82 0.04 5.08 -0.52 -2.52 114.58 116.60 1axx h GLU 69 Ca 0.11 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1axx h GLU 69 Cb 0.50 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1axx h GLU 69 CO -0.34 0.93 0.53 1.25 -1.00 0.00 0.00 179.01 180.37 1axx h LEU 70 N 1.04 0.95 -0.73 1.33 7.12 -0.26 -0.79 115.31 123.95 1axx h LEU 70 Ca 0.23 -0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.35 1axx h LEU 70 Cb 0.28 -0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 40.07 1axx h LEU 70 CO -0.01 0.70 0.26 0.77 -0.13 0.00 0.00 178.44 180.03 1axx h SER 71 N 1.11 0.20 -0.76 1.25 4.64 -0.33 -1.26 113.55 118.40 1axx h SER 71 Ca 0.30 0.12 0.10 0.00 -0.47 0.00 0.00 61.79 61.84 1axx h SER 71 Cb -0.11 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 1axx h SER 71 CO -0.06 0.07 0.39 0.11 -0.87 0.00 0.00 176.83 176.47 1axx h LYS 72 N 0.39 0.63 -0.02 4.77 1.79 -1.05 0.36 116.57 123.43 1axx h LYS 72 Ca 0.41 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1axx h LYS 72 Cb 0.63 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1axx h LYS 72 CO -0.42 0.42 0.05 1.15 -1.08 0.00 0.00 179.45 179.56 1axx h THR 73 N 0.65 0.27 -0.21 -0.16 2.02 -1.14 -0.78 112.91 113.56 1axx h THR 73 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1axx h THR 73 Cb 0.41 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 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 -3.47 0.25 -2.12 3.16 4.01 0.12 -4.96 117.16 114.14 1axx n TYR 74 Ca -0.02 -0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 1axx n TYR 74 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.75 3.52 -0.20 -0.72 2.07 -0.30 -2.45 121.20 121.37 1axx s ILE 75 Ca 0.34 0.89 0.01 0.00 -1.41 0.00 0.00 60.65 60.48 1axx s ILE 75 Cb 0.21 -3.57 -0.13 0.00 0.13 0.00 0.00 42.46 39.11 1axx s ILE 75 CO 0.31 -0.01 -0.17 2.30 -1.91 0.00 0.00 174.94 175.45 1axx n ILE 76 N 4.80 1.12 -2.30 2.00 -5.35 -1.01 -4.96 119.36 113.66 1axx n ILE 76 Ca 0.14 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1axx n ILE 76 Cb 0.43 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 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 2.55 1.29 1.76 3.28 0.00 -1.24 -3.84 105.19 108.99 1axx n GLY 77 Ca -0.35 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1axx n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1axx n GLU 78 N 0.00 0.24 -2.93 1.61 1.02 -1.07 -0.79 120.64 118.72 1axx n GLU 78 Ca 0.00 -1.80 -0.41 0.00 -0.02 0.00 0.00 57.16 54.93 1axx n GLU 78 Cb 0.00 1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 32.87 1axx n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1axx s LEU 79 N 0.00 4.12 0.17 -4.62 2.01 -1.26 -0.42 118.68 118.68 1axx s LEU 79 Ca 0.21 1.05 -0.30 0.00 0.01 0.00 0.00 54.13 55.10 1axx s LEU 79 Cb 0.01 -3.16 -0.17 0.00 0.01 0.00 0.00 46.19 42.88 1axx s LEU 79 CO 0.15 -0.44 0.66 1.57 1.01 0.00 0.00 176.35 179.30 1axx n HIS 80 N 5.59 -0.17 0.50 0.29 -0.00 0.31 -4.66 115.22 117.08 1axx n HIS 80 Ca 0.04 0.97 0.06 0.00 -0.00 0.00 0.00 57.72 58.79 1axx n HIS 80 Cb 0.48 -2.00 0.27 0.00 -0.00 0.00 0.00 29.99 28.74 1axx n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1axx n PRO 81 N 1.10 0.12 0.10 1.57 -0.04 -1.26 -1.31 135.00 135.28 1axx n PRO 81 Ca 0.18 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1axx n PRO 81 Cb 0.22 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1axx n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1axx h ASP 82 N 0.00 -0.23 -1.58 3.54 3.58 -1.99 -3.32 116.42 116.43 1axx h ASP 82 Ca 0.00 -0.23 -0.72 0.00 0.42 0.00 0.00 57.03 56.51 1axx h ASP 82 Cb 0.13 0.06 -0.29 0.00 1.72 0.00 0.00 39.33 40.95 1axx h ASP 82 CO 0.00 0.12 0.80 0.47 -2.88 0.00 0.00 179.24 177.75 1axx n ASP 83 N -5.06 7.29 -0.09 2.28 8.00 -0.43 -4.34 116.55 124.20 1axx n ASP 83 Ca -0.09 -3.81 -0.12 0.00 0.71 0.00 0.00 54.79 51.48 1axx n ASP 83 Cb 0.23 -0.97 -0.15 0.00 -0.02 0.00 0.00 41.12 40.22 1axx n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1axx n ARG 84 N -0.67 0.68 -0.08 -1.24 1.85 -1.12 -4.20 116.66 111.87 1axx n ARG 84 Ca 0.56 0.08 -0.23 0.00 -1.00 0.00 0.00 57.85 57.26 1axx n ARG 84 Cb 0.44 -1.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.15 1axx n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1axx n SER 85 N -2.92 1.97 -2.44 2.89 7.64 -1.26 -4.54 113.62 114.97 1axx n SER 85 Ca -0.32 0.27 -0.25 0.00 1.01 0.00 0.00 58.87 59.58 1axx n SER 85 Cb 1.11 -0.83 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1axx n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1axx n LYS 86 N -3.96 3.25 -1.07 1.43 4.81 -1.26 -5.06 118.16 116.29 1axx n LYS 86 Ca -0.38 -4.35 -0.43 0.00 -0.87 0.00 0.00 58.31 52.28 1axx n LYS 86 Cb 0.87 -2.16 -0.10 0.00 0.02 0.00 0.00 35.03 33.65 1axx n LYS 86 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1axx n ILE 87 N -0.48 0.00 -4.05 3.15 5.41 -1.26 -4.93 119.36 117.20 1axx n ILE 87 Ca 0.37 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.77 1axx n ILE 87 Cb 0.72 -0.40 -0.14 0.00 -0.71 0.00 0.00 39.64 39.11 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 5.64 2.86 -0.36 -1.39 0.00 -1.26 -5.09 121.76 122.14 1axx s ALA 88 Ca 1.01 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 1axx s ALA 88 Cb -1.14 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1axx s ALA 88 CO 0.48 -0.28 0.65 0.21 0.00 0.00 0.00 175.76 176.82 1axx s LYS 89 N 1.22 3.64 0.86 0.00 2.20 -1.26 -4.95 119.74 121.46 1axx s LYS 89 Ca 0.03 0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.52 1axx s LYS 89 Cb -0.14 -3.82 0.20 0.00 -1.51 0.00 0.00 37.83 32.56 1axx s LYS 89 CO -0.01 -0.77 1.00 -0.35 -0.36 0.00 0.00 175.35 174.86 1axx n PRO 90 N 6.09 -1.66 -2.00 4.03 -0.04 -1.26 -4.97 135.00 135.20 1axx n PRO 90 Ca -0.01 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.46 1axx n PRO 90 Cb 0.48 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1axx n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1axx s SER 91 N -4.54 6.66 0.29 3.54 0.15 -1.26 -4.98 113.70 113.56 1axx s SER 91 Ca 0.59 2.28 0.04 0.00 0.70 0.00 0.00 55.95 59.56 1axx s SER 91 Cb -0.03 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1axx s SER 91 CO 0.43 -0.91 0.20 -1.83 1.20 0.00 0.00 173.24 172.33 1axx s GLU 92 N 3.74 1.55 0.26 5.44 -1.05 -1.26 -5.14 118.70 122.24 1axx s GLU 92 Ca 0.73 -1.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.69 1axx s GLU 92 Cb -0.34 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.52 1axx s GLU 92 CO 0.30 -0.52 0.24 -0.08 0.95 0.00 0.00 175.26 176.15 1axx s THR 93 N -3.70 0.00 -2.44 1.83 -1.32 -1.26 -5.27 115.64 103.48 1axx s THR 93 Ca 0.39 -1.93 0.28 0.00 -1.21 0.00 0.00 61.69 59.23 1axx s THR 93 Cb 0.04 -2.49 0.59 0.00 -1.51 0.00 0.00 72.50 69.13 1axx s THR 93 CO 0.20 0.00 1.80 0.00 -2.21 0.00 0.00 174.62 174.42