#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 1.04 -0.31 0.11 3.00 -1.26 -5.01 118.16 115.74 1axx n LYS 2 Ca 0.00 0.05 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1axx n LYS 2 Cb 0.00 -1.25 0.28 0.00 0.00 0.00 0.00 35.03 34.05 1axx n LYS 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1axx n ASP 3 N -2.70 -3.61 0.00 3.14 9.92 -1.26 -5.06 116.55 116.98 1axx n ASP 3 Ca -0.20 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1axx n ASP 3 Cb 0.77 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1axx n VAL 4 N -5.55 0.00 -3.10 2.53 0.31 -1.26 -4.94 118.33 106.32 1axx n VAL 4 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 1axx n VAL 4 Cb 0.57 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.46 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1axx n LYS 5 N 0.00 2.02 -1.92 5.55 5.02 -1.26 -4.99 118.16 122.57 1axx n LYS 5 Ca 0.00 -4.08 -0.43 0.00 -2.02 0.00 0.00 58.31 51.78 1axx n LYS 5 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 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 -2.80 1.71 0.04 2.13 2.02 -1.26 -0.80 117.35 118.38 1axx s TYR 6 Ca 0.44 0.52 0.07 0.00 -0.37 0.00 0.00 57.07 57.73 1axx s TYR 6 Cb 0.30 -4.06 -0.03 0.00 -0.40 0.00 0.00 41.96 37.76 1axx s TYR 6 CO -0.10 -3.35 -0.19 0.71 -1.57 0.00 0.00 175.55 171.05 1axx s TYR 7 N 6.65 2.54 0.53 2.71 2.02 0.35 -4.73 117.35 127.42 1axx s TYR 7 Ca 0.83 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 57.21 1axx s TYR 7 Cb -0.26 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1axx s TYR 7 CO 0.34 0.23 0.82 0.95 -1.57 0.00 0.00 175.55 176.32 1axx s THR 8 N -0.90 4.11 0.13 -0.71 -4.23 -1.26 -0.45 115.64 112.32 1axx s THR 8 Ca 0.14 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1axx s THR 8 Cb -0.10 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 1axx s THR 8 CO 0.05 -0.56 1.74 -0.07 -0.54 0.00 0.00 174.62 175.24 1axx h LEU 9 N 0.05 0.05 -0.14 4.79 -0.00 -1.98 -0.29 115.31 117.79 1axx h LEU 9 Ca -0.46 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.47 1axx h LEU 9 Cb 1.24 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 1axx h LEU 9 CO 0.60 0.06 -0.00 -0.08 -0.00 0.00 0.00 178.44 179.02 1axx h GLU 10 N 0.15 0.04 0.15 1.13 4.81 -1.97 0.25 114.58 119.14 1axx h GLU 10 Ca 0.09 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1axx h GLU 10 Cb 0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1axx h GLU 10 CO -0.10 0.03 -0.15 1.49 -0.73 0.00 0.00 179.01 179.55 1axx h GLU 11 N 0.04 -0.31 -0.92 1.92 4.81 -1.86 -0.78 114.58 117.48 1axx h GLU 11 Ca 0.06 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1axx h GLU 11 Cb 0.08 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 1axx h GLU 11 CO -0.11 -0.21 0.59 0.82 -0.73 0.00 0.00 179.01 179.37 1axx h ILE 12 N -0.32 1.14 0.00 2.32 2.04 -0.82 0.88 117.51 122.75 1axx h ILE 12 Ca 0.00 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1axx h ILE 12 Cb 0.31 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1axx h ILE 12 CO -0.04 0.21 -0.02 -0.61 0.00 0.00 0.00 178.15 177.69 1axx h GLN 13 N 1.15 0.00 0.00 2.37 -0.00 0.10 0.41 115.11 119.13 1axx h GLN 13 Ca 0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.85 1axx h GLN 13 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.48 1axx h GLN 13 CO -0.13 0.02 -0.88 0.87 0.00 0.00 0.00 178.83 178.71 1axx h LYS 14 N 0.00 0.00 -2.78 1.69 1.79 0.62 -3.35 116.57 114.54 1axx h LYS 14 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1axx h LYS 14 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1axx h LYS 14 CO 0.00 0.68 2.99 0.72 -1.08 0.00 0.00 179.45 182.76 1axx n HIS 15 N -3.23 2.09 -2.69 -1.35 8.25 0.14 -4.07 115.22 114.36 1axx n HIS 15 Ca -0.01 -2.81 -0.07 0.00 -0.26 0.00 0.00 57.72 54.56 1axx n HIS 15 Cb 0.85 -2.25 0.09 0.00 1.12 0.00 0.00 29.99 29.79 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 3.10 1.20 -3.52 -0.41 2.85 -0.92 -0.85 118.16 119.61 1axx n LYS 16 Ca 0.71 -2.35 -0.07 0.00 -1.05 0.00 0.00 58.31 55.55 1axx n LYS 16 Cb 0.34 -0.49 0.03 0.00 -0.65 0.00 0.00 35.03 34.25 1axx n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1axx n ASP 17 N -0.46 -2.00 0.00 -5.58 -0.08 -0.80 -4.93 116.55 102.70 1axx n ASP 17 Ca 0.01 -2.34 0.00 0.00 -1.51 0.00 0.00 54.79 50.95 1axx n ASP 17 Cb 0.84 3.31 0.00 0.00 2.34 0.00 0.00 41.12 47.61 1axx n ASP 17 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1axx n SER 18 N -1.44 0.00 -2.68 1.67 7.64 -1.26 -0.85 113.62 116.70 1axx n SER 18 Ca -0.07 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.78 1axx n SER 18 Cb 0.53 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.86 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 1.34 -3.68 1.43 4.81 -1.26 -5.07 118.16 115.73 1axx n LYS 19 Ca 0.00 -1.40 -0.28 0.00 -0.87 0.00 0.00 58.31 55.75 1axx n LYS 19 Cb 0.00 0.28 -0.16 0.00 0.02 0.00 0.00 35.03 35.17 1axx n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1axx s SER 20 N -1.20 3.22 -0.40 3.14 0.01 -0.03 -4.97 113.70 113.46 1axx s SER 20 Ca 0.12 -1.07 -0.05 0.00 1.31 0.00 0.00 55.95 56.26 1axx s SER 20 Cb 0.44 -0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.20 1axx s SER 20 CO -0.12 -0.36 0.21 -0.89 0.41 0.00 0.00 173.24 172.48 1axx s THR 21 N 1.89 3.60 0.42 1.44 2.01 -1.26 -1.91 115.64 121.83 1axx s THR 21 Ca 0.04 -1.75 0.04 0.00 0.31 0.00 0.00 61.69 60.32 1axx s THR 21 Cb -0.17 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1axx s THR 21 CO -0.18 -0.57 0.60 0.26 -0.69 0.00 0.00 174.62 174.05 1axx s TRP 22 N 1.26 3.07 -0.07 4.92 0.52 -0.03 -2.93 118.94 125.69 1axx s TRP 22 Ca 0.05 -0.05 -0.10 0.00 0.02 0.00 0.00 56.10 56.02 1axx s TRP 22 Cb -0.23 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1axx s TRP 22 CO -0.02 -0.32 0.25 0.14 0.02 0.00 0.00 176.95 177.02 1axx s VAL 23 N -2.42 0.02 -0.22 4.03 -7.23 -0.81 -0.23 120.40 113.55 1axx s VAL 23 Ca 0.49 -0.18 -0.14 0.00 -1.81 0.00 0.00 61.98 60.35 1axx s VAL 23 Cb -0.10 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1axx s VAL 23 CO 0.35 -0.10 0.30 0.27 -0.31 0.00 0.00 175.10 175.61 1axx s ILE 24 N -0.32 5.26 -0.18 -0.62 -5.25 -1.09 -1.73 121.20 117.26 1axx s ILE 24 Ca -0.04 0.49 -0.03 0.00 -0.99 0.00 0.00 60.65 60.08 1axx s ILE 24 Cb -0.03 -3.63 0.06 0.00 2.95 0.00 0.00 42.46 41.80 1axx s ILE 24 CO 0.01 0.29 0.03 -0.76 -1.79 0.00 0.00 174.94 172.72 1axx s LEU 25 N 1.22 1.14 0.00 0.37 1.43 -1.06 -2.21 118.68 119.57 1axx s LEU 25 Ca 0.14 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1axx s LEU 25 Cb -0.14 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1axx s LEU 25 CO 0.07 -0.29 0.00 1.41 0.23 0.00 0.00 176.35 177.77 1axx n HIS 26 N 5.05 -1.26 -0.91 0.29 8.25 -1.26 -3.68 115.22 121.70 1axx n HIS 26 Ca -0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.18 1axx n HIS 26 Cb 0.47 0.22 -0.09 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 -0.62 0.82 -3.54 4.41 8.25 -1.26 -4.74 115.22 118.53 1axx n HIS 27 Ca 0.00 -1.79 -0.07 0.00 -0.26 0.00 0.00 57.72 55.60 1axx n HIS 27 Cb 0.00 -1.69 -0.02 0.00 1.12 0.00 0.00 29.99 29.40 1axx n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1axx s LYS 28 N 1.94 0.62 -0.06 -0.41 0.00 -1.24 -4.58 119.74 116.02 1axx s LYS 28 Ca 0.55 -0.18 0.03 0.00 0.00 0.00 0.00 55.97 56.37 1axx s LYS 28 Cb 0.21 0.29 -0.02 0.00 0.00 0.00 0.00 37.83 38.30 1axx s LYS 28 CO -0.02 -0.26 -0.15 0.08 0.00 0.00 0.00 175.35 175.00 1axx s VAL 29 N -2.63 3.01 -0.10 1.79 1.01 -0.65 -2.57 120.40 120.26 1axx s VAL 29 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1axx s VAL 29 Cb -0.01 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1axx s VAL 29 CO -0.06 0.58 -0.16 -0.31 0.00 0.00 0.00 175.10 175.15 1axx s TYR 30 N -0.62 1.96 -0.12 5.22 2.02 -0.71 -2.28 117.35 122.82 1axx s TYR 30 Ca 0.09 -0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 55.73 1axx s TYR 30 Cb -0.11 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1axx s TYR 30 CO 0.01 -0.42 0.58 0.34 -1.57 0.00 0.00 175.55 174.50 1axx s ASP 31 N 0.78 6.78 -0.12 2.29 -1.08 -1.10 -1.92 116.67 122.30 1axx s ASP 31 Ca -0.11 0.93 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 1axx s ASP 31 Cb -0.16 -2.34 0.32 0.00 -1.46 0.00 0.00 42.92 39.28 1axx s ASP 31 CO 0.02 -0.10 1.16 0.18 0.52 0.00 0.00 175.17 176.94 1axx n LEU 32 N 4.04 1.91 -0.14 -1.34 4.77 -1.15 -4.83 117.00 120.26 1axx n LEU 32 Ca -0.04 -2.90 -0.03 0.00 -0.03 0.00 0.00 56.01 53.01 1axx n LEU 32 Cb 0.51 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.44 1axx n LEU 32 CO 0.45 0.86 0.97 0.74 -1.33 0.00 0.00 177.39 179.08 1axx h THR 33 N 2.51 1.23 -0.57 -5.08 2.02 -1.93 0.98 112.91 112.06 1axx h THR 33 Ca -0.04 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1axx h THR 33 Cb 1.20 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1axx h THR 33 CO 0.02 0.31 0.00 0.29 0.37 0.00 0.00 175.52 176.51 1axx n LYS 34 N -4.27 4.60 0.00 6.66 5.02 -1.26 -4.23 118.16 124.68 1axx n LYS 34 Ca 0.04 -3.10 0.02 0.00 -2.02 0.00 0.00 58.31 53.25 1axx n LYS 34 Cb 0.23 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.65 0.00 -0.01 2.13 7.35 0.25 -4.70 117.46 123.12 1axx n PHE 35 Ca 0.27 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.87 1axx n PHE 35 Cb 1.13 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.90 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 -1.04 -0.14 -2.13 3.38 -1.48 0.26 115.31 114.61 1axx h LEU 36 Ca 0.00 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1axx h LEU 36 Cb 0.15 0.41 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1axx h LEU 36 CO 0.00 -0.29 -0.66 -0.08 0.09 0.00 0.00 178.44 177.50 1axx h GLU 37 N -0.34 0.70 -0.84 1.13 4.81 -1.88 -2.54 114.58 115.62 1axx h GLU 37 Ca 0.02 -0.56 0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1axx h GLU 37 Cb 0.40 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1axx h GLU 37 CO -0.27 1.18 0.55 0.93 -0.73 0.00 0.00 179.01 180.67 1axx h GLU 38 N 0.39 0.62 -6.05 1.92 4.39 -1.78 -3.42 114.58 110.64 1axx h GLU 38 Ca -0.04 -0.04 -0.70 0.00 0.34 0.00 0.00 59.36 58.92 1axx h GLU 38 Cb 1.30 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1axx h GLU 38 CO 0.14 0.41 1.24 1.58 -1.16 0.00 0.00 179.01 181.22 1axx n HIS 39 N -4.53 1.71 -1.84 4.33 -0.00 0.88 -4.80 115.22 110.97 1axx n HIS 39 Ca 0.16 0.41 -0.31 0.00 0.46 0.00 0.00 57.72 58.44 1axx n HIS 39 Cb 0.46 -2.48 -0.07 0.00 -0.12 0.00 0.00 29.99 27.78 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 7.23 1.47 0.00 1.57 -0.04 -1.26 -0.72 135.00 143.25 1axx n PRO 40 Ca 0.38 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1axx n PRO 40 Cb 0.17 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.05 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 5.56 0.45 0.00 0.55 0.00 -1.26 -5.17 105.19 105.32 1axx n GLY 41 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 2.90 0.07 -0.02 0.00 0.10 -4.81 105.19 103.43 1axx n GLY 42 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 0.07 1.61 4.22 -1.73 -3.35 114.58 115.40 1axx h GLU 43 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1axx h GLU 43 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1axx h GLU 43 CO 0.00 0.67 -0.13 1.49 -2.18 0.00 0.00 179.01 178.85 1axx h GLU 44 N -1.00 -0.25 -0.99 1.92 4.81 -1.91 0.34 114.58 117.49 1axx h GLU 44 Ca -0.02 0.02 0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1axx h GLU 44 Cb 0.70 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1axx h GLU 44 CO -0.01 -0.17 0.70 -0.39 -0.73 0.00 0.00 179.01 178.41 1axx h VAL 45 N -0.26 0.52 0.10 0.32 -1.51 -1.87 0.39 116.25 113.93 1axx h VAL 45 Ca 0.02 -0.02 -0.32 0.00 -1.23 0.00 0.00 66.70 65.15 1axx h VAL 45 Cb 0.28 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 1axx h VAL 45 CO -0.08 0.01 -1.70 0.25 -1.23 0.00 0.00 177.57 174.82 1axx h LEU 46 N 0.06 0.35 -0.03 4.19 7.12 -0.66 -3.35 115.31 122.99 1axx h LEU 46 Ca 0.48 -0.59 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1axx h LEU 46 Cb 1.81 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1axx h LEU 46 CO -0.04 1.51 -0.31 -1.14 -0.13 0.00 0.00 178.44 178.33 1axx n ARG 47 N -3.40 0.08 -0.24 1.25 0.00 0.79 -4.21 116.66 110.93 1axx n ARG 47 Ca -0.21 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.85 57.59 1axx n ARG 47 Cb 1.05 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 32.06 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 0.08 -0.07 0.00 -0.14 4.39 -0.44 -3.31 114.58 115.10 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 0.49 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1axx h GLU 48 CO 0.00 -0.05 -0.09 1.04 -1.16 0.00 0.00 179.01 178.75 1axx n GLN 49 N -5.46 0.05 -1.54 2.33 1.13 -1.26 -5.11 117.38 107.52 1axx n GLN 49 Ca 0.07 0.12 0.07 0.00 -1.94 0.00 0.00 57.00 55.32 1axx n GLN 49 Cb 0.37 -0.70 -0.04 0.00 0.11 0.00 0.00 30.24 29.98 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 -2.60 -2.68 -4.13 -1.58 0.00 -1.25 -4.86 120.51 103.42 1axx n ALA 50 Ca -0.01 0.66 -0.41 0.00 0.00 0.00 0.00 53.44 53.68 1axx n ALA 50 Cb 0.05 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.30 -0.57 3.78 0.00 0.00 0.69 -4.90 105.19 100.88 1axx n GLY 51 Ca -0.04 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.84 -0.25 -0.53 -0.02 0.00 -1.26 -4.12 107.32 97.31 1axx s GLY 52 Ca 0.32 0.32 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 1axx s GLY 52 CO 0.94 2.10 2.14 -0.35 0.00 0.00 0.00 173.10 177.93 1axx s ASP 53 N -3.29 4.88 0.00 1.64 -1.08 -1.26 -2.69 116.67 114.87 1axx s ASP 53 Ca 0.20 0.78 0.25 0.00 -0.52 0.00 0.00 52.55 53.25 1axx s ASP 53 Cb 0.02 -2.51 0.67 0.00 -1.46 0.00 0.00 42.92 39.63 1axx s ASP 53 CO -0.01 -2.60 1.53 0.00 0.52 0.00 0.00 175.17 174.60 1axx n ALA 54 N 14.23 2.51 -0.05 3.66 0.00 -0.94 -4.49 120.51 135.44 1axx n ALA 54 Ca 0.29 -0.60 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1axx n ALA 54 Cb 0.53 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 3.28 0.27 -0.70 0.00 2.02 -1.84 0.11 112.91 116.04 1axx h THR 55 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1axx h THR 55 Cb 0.70 0.27 -0.12 0.00 -1.74 0.00 0.00 68.15 67.26 1axx h THR 55 CO 0.00 0.00 0.02 -0.33 0.37 0.00 0.00 175.52 175.58 1axx h GLU 56 N -0.33 0.12 -0.13 6.66 4.39 -1.93 0.22 114.58 123.57 1axx h GLU 56 Ca 0.13 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1axx h GLU 56 Cb 0.54 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1axx h GLU 56 CO -0.43 0.08 0.02 -0.97 -1.16 0.00 0.00 179.01 176.55 1axx h ASN 57 N 0.12 0.21 -0.92 1.42 -0.73 -1.49 0.22 115.58 114.41 1axx h ASN 57 Ca 0.38 -0.27 0.04 0.00 1.87 0.00 0.00 56.30 58.31 1axx h ASN 57 Cb 0.64 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 39.12 1axx h ASN 57 CO -0.60 0.43 0.59 0.15 -0.37 0.00 0.00 177.43 177.63 1axx h PHE 58 N -0.02 1.11 0.07 0.67 3.04 -0.16 -2.77 116.94 118.89 1axx h PHE 58 Ca 0.04 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.77 1axx h PHE 58 Cb 0.31 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1axx h PHE 58 CO 0.02 0.63 -1.12 0.93 -2.02 0.00 0.00 178.31 176.75 1axx h GLU 59 N 1.14 0.16 -0.14 1.11 4.39 -0.39 -0.73 114.58 120.12 1axx h GLU 59 Ca 0.37 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.85 1axx h GLU 59 Cb 0.02 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1axx h GLU 59 CO -0.13 1.12 -0.33 0.22 -1.16 0.00 0.00 179.01 178.73 1axx h ASP 60 N 0.05 -1.02 1.04 1.42 1.82 -0.39 0.39 116.42 119.72 1axx h ASP 60 Ca -0.08 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1axx h ASP 60 Cb 1.86 0.43 0.00 0.00 0.68 0.00 0.00 39.33 42.30 1axx h ASP 60 CO 0.17 -0.36 0.00 0.58 -1.61 0.00 0.00 179.24 178.02 1axx h VAL 61 N -0.39 0.00 0.00 2.25 2.07 -1.53 -3.47 116.25 115.18 1axx h VAL 61 Ca 0.10 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1axx h VAL 61 Cb 0.55 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1axx h VAL 61 CO -0.36 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.84 1axx n GLY 62 N 0.20 1.71 1.20 2.17 0.00 0.12 -4.87 105.19 105.72 1axx n GLY 62 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.27 -1.78 1.61 8.25 -1.25 -4.70 115.22 114.07 1axx n HIS 63 Ca 0.00 1.77 -0.30 0.00 -0.26 0.00 0.00 57.72 58.93 1axx n HIS 63 Cb 0.00 -2.87 0.07 0.00 1.12 0.00 0.00 29.99 28.31 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 -4.84 5.03 0.41 0.41 0.01 -1.26 -4.96 113.70 108.51 1axx s SER 64 Ca 0.00 1.14 0.13 0.00 1.31 0.00 0.00 55.95 58.53 1axx s SER 64 Cb 0.00 -1.88 0.88 0.00 0.21 0.00 0.00 66.02 65.23 1axx s SER 64 CO 0.00 -1.61 1.93 0.00 0.41 0.00 0.00 173.24 173.98 1axx h THR 65 N -0.84 1.17 -0.80 1.44 1.03 -2.00 -1.93 112.91 110.98 1axx h THR 65 Ca -0.46 -0.82 0.15 0.00 -0.01 0.00 0.00 66.41 65.27 1axx h THR 65 Cb 1.27 1.39 -0.15 0.00 -1.07 0.00 0.00 68.15 69.59 1axx h THR 65 CO 0.63 0.24 -0.28 0.44 -0.01 0.00 0.00 175.52 176.53 1axx h ASP 66 N 0.06 -1.03 -0.97 0.00 5.19 -2.00 0.22 116.42 117.90 1axx h ASP 66 Ca 0.01 0.26 0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1axx h ASP 66 Cb 0.41 0.59 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 1axx h ASP 66 CO 0.03 -0.29 0.64 0.00 -3.12 0.00 0.00 179.24 176.50 1axx h ALA 67 N 1.50 1.27 -0.27 3.45 0.00 -1.72 0.12 119.26 123.60 1axx h ALA 67 Ca 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1axx h ALA 67 Cb 0.59 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1axx h ALA 67 CO -0.84 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.09 1axx h ARG 68 N 1.26 0.38 0.01 0.00 3.08 -0.55 0.30 114.38 118.85 1axx h ARG 68 Ca 0.38 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 1axx h ARG 68 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1axx h ARG 68 CO -0.11 0.30 -0.29 0.93 -1.07 0.00 0.00 179.97 179.74 1axx h GLU 69 N 0.38 0.01 -0.81 0.04 5.08 -0.83 -3.28 114.58 115.17 1axx h GLU 69 Ca 0.10 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 1axx h GLU 69 Cb 0.06 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1axx h GLU 69 CO -0.01 1.01 0.53 1.25 -1.00 0.00 0.00 179.01 180.79 1axx h LEU 70 N -0.97 0.61 -0.38 1.33 5.85 -0.61 0.28 115.31 121.41 1axx h LEU 70 Ca -0.08 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.75 1axx h LEU 70 Cb 1.09 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1axx h LEU 70 CO -0.04 0.34 -0.17 -1.28 -0.34 0.00 0.00 178.44 176.95 1axx h SER 71 N 0.66 -0.60 -0.75 1.25 0.87 -0.55 -1.68 113.55 112.77 1axx h SER 71 Ca 0.39 0.14 0.09 0.00 -1.23 0.00 0.00 61.79 61.18 1axx h SER 71 Cb 0.59 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.82 1axx h SER 71 CO -0.16 -0.21 0.40 0.11 -0.53 0.00 0.00 176.83 176.45 1axx h LYS 72 N -0.11 0.68 -0.02 2.24 6.56 -0.51 0.23 116.57 125.65 1axx h LYS 72 Ca 0.19 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1axx h LYS 72 Cb 0.39 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1axx h LYS 72 CO -0.45 0.45 0.20 1.15 -2.06 0.00 0.00 179.45 178.74 1axx h THR 73 N 0.70 0.03 -0.23 -0.16 2.02 -0.88 0.37 112.91 114.76 1axx h THR 73 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1axx h THR 73 Cb 0.32 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1axx h THR 73 CO -0.24 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.43 1axx n TYR 74 N -3.03 0.29 -1.96 3.16 4.01 0.76 -4.96 117.16 115.43 1axx n TYR 74 Ca -0.02 -0.16 -0.43 0.00 -0.16 0.00 0.00 57.90 57.13 1axx n TYR 74 Cb 0.26 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.50 3.47 -0.06 -0.72 2.07 0.12 -2.70 121.20 121.87 1axx s ILE 75 Ca 0.31 0.51 0.03 0.00 -1.41 0.00 0.00 60.65 60.09 1axx s ILE 75 Cb 0.19 -3.51 -0.25 0.00 0.13 0.00 0.00 42.46 39.03 1axx s ILE 75 CO 0.27 -0.24 0.60 0.16 -1.91 0.00 0.00 174.94 173.83 1axx h ILE 76 N 6.38 0.84 0.00 2.00 3.07 -1.78 -3.49 117.51 124.53 1axx h ILE 76 Ca -0.37 -2.60 0.00 0.00 1.55 0.00 0.00 64.86 63.44 1axx h ILE 76 Cb 1.18 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 40.25 1axx h ILE 76 CO 0.99 0.70 0.00 0.61 -1.05 0.00 0.00 178.15 179.41 1axx n GLY 77 N 1.73 -0.70 3.38 0.16 0.00 -1.24 -4.44 105.19 104.08 1axx n GLY 77 Ca -0.22 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.35 1.56 -0.09 1.61 2.02 0.02 -1.63 118.70 121.84 1axx s GLU 78 Ca 0.00 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.83 1axx s GLU 78 Cb 0.00 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1axx s GLU 78 CO 0.00 -0.28 1.03 -1.17 0.02 0.00 0.00 175.26 174.86 1axx s LEU 79 N -3.41 4.26 0.31 1.80 2.96 -1.26 -0.50 118.68 122.84 1axx s LEU 79 Ca 0.36 1.58 -0.27 0.00 -0.22 0.00 0.00 54.13 55.58 1axx s LEU 79 Cb 0.08 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 43.07 1axx s LEU 79 CO 0.15 -0.45 0.87 1.57 -1.32 0.00 0.00 176.35 177.17 1axx n HIS 80 N 4.92 0.76 0.22 5.38 -0.00 0.40 -4.77 115.22 122.13 1axx n HIS 80 Ca 0.09 0.72 0.07 0.00 -0.00 0.00 0.00 57.72 58.60 1axx n HIS 80 Cb 0.49 -2.17 0.35 0.00 -0.00 0.00 0.00 29.99 28.66 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 0.69 0.09 0.00 1.57 -0.04 -1.26 -2.89 135.00 133.17 1axx n PRO 81 Ca 0.11 0.49 -0.02 0.00 -0.04 0.00 0.00 63.50 64.04 1axx n PRO 81 Cb 0.33 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.18 -0.12 3.54 3.58 -1.98 -3.01 116.42 118.25 1axx h ASP 82 Ca 0.00 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1axx h ASP 82 Cb 0.12 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1axx h ASP 82 CO 0.00 -0.05 0.09 -0.67 -2.88 0.00 0.00 179.24 175.73 1axx n ASP 83 N -2.83 4.24 -0.08 2.28 2.03 -1.14 -3.66 116.55 117.39 1axx n ASP 83 Ca -0.01 -2.37 -0.09 0.00 0.52 0.00 0.00 54.79 52.84 1axx n ASP 83 Cb 0.04 -0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.54 1axx n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1axx n ARG 84 N 0.71 1.16 0.18 -0.67 0.00 -1.14 -3.61 116.66 113.30 1axx n ARG 84 Ca 0.07 0.04 0.18 0.00 -0.00 0.00 0.00 57.85 58.15 1axx n ARG 84 Cb 0.59 -1.36 0.81 0.00 0.00 0.00 0.00 32.46 32.50 1axx n ARG 84 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1axx h SER 85 N 0.00 0.00 -2.19 6.15 0.02 -1.71 -3.19 113.55 112.63 1axx h SER 85 Ca -0.39 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.98 1axx h SER 85 Cb 1.76 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.91 1axx h SER 85 CO -0.02 0.00 -0.99 1.17 -1.14 0.00 0.00 176.83 175.86 1axx n LYS 86 N -3.61 0.80 -0.23 3.45 3.00 -1.26 -4.96 118.16 115.35 1axx n LYS 86 Ca 0.03 -3.43 0.26 0.00 -0.00 0.00 0.00 58.31 55.17 1axx n LYS 86 Cb 0.44 -1.52 0.64 0.00 0.00 0.00 0.00 35.03 34.59 1axx n LYS 86 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1axx h ILE 87 N 3.05 0.57 -1.70 3.15 1.08 -1.61 -3.42 117.51 118.62 1axx h ILE 87 Ca 0.15 -0.05 -0.70 0.00 -0.39 0.00 0.00 64.86 63.87 1axx h ILE 87 Cb 0.86 0.40 0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1axx h ILE 87 CO 0.49 0.03 0.91 0.00 -0.69 0.00 0.00 178.15 178.89 1axx n ALA 88 N -2.64 0.07 -3.49 1.87 0.00 -1.26 -4.95 120.51 110.12 1axx n ALA 88 Ca 0.20 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.73 1axx n ALA 88 Cb 0.91 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.96 1axx n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1axx s LYS 89 N 3.34 0.87 -0.09 0.00 2.47 -1.26 -5.10 119.74 119.96 1axx s LYS 89 Ca 0.95 -1.81 -0.29 0.00 -1.56 0.00 0.00 55.97 53.26 1axx s LYS 89 Cb -0.95 -1.57 -0.05 0.00 -1.46 0.00 0.00 37.83 33.80 1axx s LYS 89 CO 0.60 -1.28 1.69 -1.25 0.16 0.00 0.00 175.35 175.27 1axx s PRO 90 N 0.47 4.05 0.00 4.03 0.04 -1.26 -4.94 135.00 137.39 1axx s PRO 90 Ca 0.24 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1axx s PRO 90 Cb -0.12 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1axx s PRO 90 CO -0.08 -1.01 0.00 0.45 0.04 0.00 0.00 177.00 176.40 1axx n SER 91 N 7.66 0.19 -4.77 6.66 2.88 -1.26 -5.14 113.62 119.84 1axx n SER 91 Ca 0.18 -0.60 -0.39 0.00 -1.33 0.00 0.00 58.87 56.74 1axx n SER 91 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 1axx n SER 91 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1axx s GLU 92 N -0.80 4.05 -0.22 -1.46 -6.30 -1.26 -4.97 118.70 107.74 1axx s GLU 92 Ca 0.00 1.93 -0.14 0.00 -2.50 0.00 0.00 54.97 54.26 1axx s GLU 92 Cb 0.00 -2.72 -0.18 0.00 0.00 0.00 0.00 34.13 31.23 1axx s GLU 92 CO 0.00 -0.35 0.04 2.41 0.02 0.00 0.00 175.26 177.38 1axx n THR 93 N 0.13 1.57 -0.76 -1.70 -1.04 -1.26 -4.89 114.28 106.34 1axx n THR 93 Ca 0.04 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1axx n THR 93 Cb 0.45 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32