#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 0.00 -0.49 -1.24 5.02 -1.26 -5.19 118.16 115.01 1axx n LYS 2 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1axx n LYS 2 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.21 1axx n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1axx n ASP 3 N 0.00 -2.70 0.00 4.39 9.92 -1.26 -5.06 116.55 121.84 1axx n ASP 3 Ca 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 1axx n ASP 3 Cb 0.00 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 -4.69 0.00 -2.30 2.53 0.31 -1.26 -4.75 118.33 108.17 1axx n VAL 4 Ca 0.11 0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.38 1axx n VAL 4 Cb 0.45 -0.55 0.03 0.00 -0.91 0.00 0.00 33.84 32.86 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 2.98 -2.52 5.55 4.76 -1.26 -5.06 118.16 122.60 1axx n LYS 5 Ca 0.00 -3.96 -0.43 0.00 -2.87 0.00 0.00 58.31 51.06 1axx n LYS 5 Cb 0.00 -2.05 -0.02 0.00 -1.84 0.00 0.00 35.03 31.12 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 -3.66 3.05 0.04 2.13 1.51 -1.26 -0.58 117.35 118.59 1axx s TYR 6 Ca 0.43 1.20 0.09 0.00 -1.01 0.00 0.00 57.07 57.78 1axx s TYR 6 Cb 0.38 -3.41 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 1axx s TYR 6 CO 0.01 -1.19 -0.25 0.71 -1.11 0.00 0.00 175.55 173.72 1axx s TYR 7 N 3.38 2.16 0.43 2.71 2.02 0.33 -4.77 117.35 123.60 1axx s TYR 7 Ca 0.50 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1axx s TYR 7 Cb -0.19 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1axx s TYR 7 CO 0.11 0.10 0.68 0.95 -1.57 0.00 0.00 175.55 175.83 1axx s THR 8 N -0.78 4.90 0.10 -0.71 -4.23 -1.26 -0.41 115.64 113.25 1axx s THR 8 Ca 0.10 -0.12 -0.33 0.00 -1.18 0.00 0.00 61.69 60.16 1axx s THR 8 Cb -0.10 -3.83 -0.14 0.00 1.34 0.00 0.00 72.50 69.78 1axx s THR 8 CO 0.02 -0.69 1.58 -0.07 -0.54 0.00 0.00 174.62 174.92 1axx h LEU 9 N 0.44 -1.24 -0.84 4.79 -0.00 -1.99 0.02 115.31 116.49 1axx h LEU 9 Ca -0.48 0.12 0.18 0.00 -0.00 0.00 0.00 57.88 57.70 1axx h LEU 9 Cb 1.21 0.44 -0.11 0.00 -0.00 0.00 0.00 40.66 42.20 1axx h LEU 9 CO 0.61 -0.56 0.36 -0.33 -0.00 0.00 0.00 178.44 178.53 1axx h GLU 10 N -0.80 0.44 0.08 1.13 5.08 -1.97 0.16 114.58 118.70 1axx h GLU 10 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1axx h GLU 10 Cb 0.75 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1axx h GLU 10 CO -0.14 0.29 -0.04 1.49 -1.00 0.00 0.00 179.01 179.61 1axx h GLU 11 N 0.45 -0.10 -0.39 2.33 4.81 -1.78 -2.27 114.58 117.63 1axx h GLU 11 Ca 0.49 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1axx h GLU 11 Cb 0.84 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1axx h GLU 11 CO -0.46 0.14 0.19 0.82 -0.73 0.00 0.00 179.01 178.97 1axx h ILE 12 N -0.34 0.96 0.00 2.32 2.04 -0.12 -0.77 117.51 121.61 1axx h ILE 12 Ca -0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1axx h ILE 12 Cb 0.29 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1axx h ILE 12 CO 0.02 0.07 0.00 -0.61 0.00 0.00 0.00 178.15 177.63 1axx h GLN 13 N 0.38 0.00 -0.06 2.37 -0.00 -0.59 0.12 115.11 117.34 1axx h GLN 13 Ca 0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.64 1axx h GLN 13 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1axx h GLN 13 CO -0.13 0.00 -0.74 0.87 0.00 0.00 0.00 178.83 178.83 1axx h LYS 14 N 0.00 0.34 -3.52 1.69 6.56 -0.52 -3.37 116.57 117.75 1axx h LYS 14 Ca 0.00 -0.29 -0.69 0.00 -1.06 0.00 0.00 60.65 58.61 1axx h LYS 14 Cb 0.03 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1axx h LYS 14 CO 0.00 0.94 3.42 0.72 -2.06 0.00 0.00 179.45 182.47 1axx n HIS 15 N -3.81 3.01 -2.86 -1.35 8.25 0.03 -4.46 115.22 114.03 1axx n HIS 15 Ca -0.04 -3.03 -0.09 0.00 -0.26 0.00 0.00 57.72 54.31 1axx n HIS 15 Cb 0.71 -2.50 -0.00 0.00 1.12 0.00 0.00 29.99 29.32 1axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1axx n LYS 16 N 4.84 0.54 0.00 -0.41 4.81 -1.15 -1.96 118.16 124.83 1axx n LYS 16 Ca 0.64 -2.18 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 1axx n LYS 16 Cb 0.32 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1axx n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1axx n ASP 17 N 2.66 0.00 -3.78 3.14 8.00 -1.23 -4.94 116.55 120.39 1axx n ASP 17 Ca 0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 1axx n ASP 17 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 1axx n ASP 17 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1axx s SER 18 N 1.00 -0.20 -1.62 -2.24 1.04 -1.26 -4.86 113.70 105.56 1axx s SER 18 Ca 0.00 0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 1axx s SER 18 Cb 0.00 0.37 0.12 0.00 0.10 0.00 0.00 66.02 66.61 1axx s SER 18 CO 0.00 -0.10 0.81 0.29 0.98 0.00 0.00 173.24 175.22 1axx n LYS 19 N 3.35 -3.87 -2.95 4.02 4.76 -1.26 -4.88 118.16 117.33 1axx n LYS 19 Ca -0.17 0.44 0.01 0.00 -2.87 0.00 0.00 58.31 55.73 1axx n LYS 19 Cb 0.57 -5.15 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1axx s SER 20 N -3.43 -0.87 -0.30 4.39 0.15 -1.26 -4.99 113.70 107.40 1axx s SER 20 Ca 0.63 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1axx s SER 20 Cb -0.34 1.11 0.08 0.00 -1.71 0.00 0.00 66.02 65.16 1axx s SER 20 CO 0.90 -0.09 -0.02 -0.89 1.20 0.00 0.00 173.24 174.34 1axx s THR 21 N 1.85 2.11 0.22 6.45 2.01 -1.26 -2.92 115.64 124.10 1axx s THR 21 Ca 0.16 -1.94 0.05 0.00 0.31 0.00 0.00 61.69 60.28 1axx s THR 21 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1axx s THR 21 CO -0.11 -0.34 0.25 0.26 -0.69 0.00 0.00 174.62 173.99 1axx s TRP 22 N 1.05 3.28 -0.16 4.92 0.52 -0.83 -0.75 118.94 126.98 1axx s TRP 22 Ca 0.02 -0.04 -0.15 0.00 0.02 0.00 0.00 56.10 55.95 1axx s TRP 22 Cb -0.19 -1.51 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1axx s TRP 22 CO -0.07 0.49 0.43 0.14 0.02 0.00 0.00 176.95 177.96 1axx s VAL 23 N -1.98 0.00 -0.80 4.03 -7.23 0.17 0.61 120.40 115.20 1axx s VAL 23 Ca 0.33 -0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 1axx s VAL 23 Cb -0.09 -0.61 0.34 0.00 0.56 0.00 0.00 36.38 36.58 1axx s VAL 23 CO 0.27 -0.01 1.50 2.30 -0.31 0.00 0.00 175.10 178.84 1axx n ILE 24 N 2.77 4.40 -2.24 -0.62 -5.35 -1.26 -0.66 119.36 116.39 1axx n ILE 24 Ca -0.14 -5.52 -0.41 0.00 -0.27 0.00 0.00 62.75 56.41 1axx n ILE 24 Cb 0.57 -1.43 -0.03 0.00 -1.74 0.00 0.00 39.64 37.01 1axx n ILE 24 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1axx s LEU 25 N -3.94 3.43 0.00 7.28 1.43 -1.00 -4.55 118.68 121.33 1axx s LEU 25 Ca 0.45 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1axx s LEU 25 Cb 0.28 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1axx s LEU 25 CO -0.18 -1.80 0.00 1.41 0.23 0.00 0.00 176.35 176.01 1axx n HIS 26 N 10.24 -0.91 -1.15 0.29 8.25 -1.26 -3.61 115.22 127.07 1axx n HIS 26 Ca 0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.30 1axx n HIS 26 Cb 0.49 0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.23 1.97 -3.47 4.41 8.25 -1.26 -4.74 115.22 120.16 1axx n HIS 27 Ca 0.00 -2.69 -0.11 0.00 -0.26 0.00 0.00 57.72 54.66 1axx n HIS 27 Cb 0.00 -2.22 -0.02 0.00 1.12 0.00 0.00 29.99 28.86 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 2.36 1.04 -0.07 -0.41 1.02 -1.24 -4.65 119.74 117.79 1axx s LYS 28 Ca 0.62 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.31 1axx s LYS 28 Cb 0.17 0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 37.94 1axx s LYS 28 CO -0.05 -0.44 -0.17 0.08 -0.92 0.00 0.00 175.35 173.85 1axx s VAL 29 N -3.23 2.79 -0.02 3.17 1.01 0.26 -2.36 120.40 122.01 1axx s VAL 29 Ca 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1axx s VAL 29 Cb -0.01 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1axx s VAL 29 CO -0.09 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.10 1axx s TYR 30 N -0.29 1.49 -0.17 5.22 1.51 0.16 -1.31 117.35 123.96 1axx s TYR 30 Ca 0.02 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1axx s TYR 30 Cb -0.13 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1axx s TYR 30 CO 0.03 -0.07 0.06 0.34 -1.11 0.00 0.00 175.55 174.80 1axx s ASP 31 N -0.20 5.68 -0.18 2.29 -1.08 -1.05 -0.66 116.67 121.48 1axx s ASP 31 Ca 0.02 0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.33 1axx s ASP 31 Cb -0.08 -1.93 0.37 0.00 -1.46 0.00 0.00 42.92 39.82 1axx s ASP 31 CO 0.00 0.22 1.21 0.18 0.52 0.00 0.00 175.17 177.30 1axx n LEU 32 N 3.23 2.66 0.26 -1.34 4.77 0.07 -4.80 117.00 121.85 1axx n LEU 32 Ca -0.17 -3.51 0.13 0.00 -0.03 0.00 0.00 56.01 52.43 1axx n LEU 32 Cb 0.53 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.85 1axx n LEU 32 CO 0.34 1.07 0.98 0.74 -1.33 0.00 0.00 177.39 179.19 1axx h THR 33 N 0.58 0.54 -0.13 -5.08 2.02 -1.95 0.43 112.91 109.32 1axx h THR 33 Ca 0.01 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1axx h THR 33 Cb 1.05 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1axx h THR 33 CO 0.03 0.11 -0.24 0.29 0.37 0.00 0.00 175.52 176.08 1axx n LYS 34 N -3.61 1.73 0.00 6.66 5.02 -1.26 -4.58 118.16 122.11 1axx n LYS 34 Ca -0.02 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1axx n LYS 34 Cb 0.24 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.13 0.00 0.25 2.13 7.35 0.11 -4.73 117.46 121.44 1axx n PHE 35 Ca 0.23 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.76 1axx n PHE 35 Cb 0.81 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.56 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 0.05 -0.64 -0.62 -2.13 3.38 -1.72 0.25 115.31 113.88 1axx h LEU 36 Ca 0.00 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1axx h LEU 36 Cb 0.01 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1axx h LEU 36 CO 0.00 -0.41 -0.24 1.05 0.09 0.00 0.00 178.44 178.93 1axx h GLU 37 N -0.65 0.84 -0.48 1.13 9.09 -1.90 -3.10 114.58 119.50 1axx h GLU 37 Ca -0.05 -0.35 -0.03 0.00 0.05 0.00 0.00 59.36 58.98 1axx h GLU 37 Cb 0.53 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 1axx h GLU 37 CO 0.05 0.98 0.19 0.93 0.05 0.00 0.00 179.01 181.22 1axx h GLU 38 N 0.72 0.72 -6.13 1.06 4.39 -1.81 -3.45 114.58 110.08 1axx h GLU 38 Ca 0.09 -0.13 -0.64 0.00 0.34 0.00 0.00 59.36 59.02 1axx h GLU 38 Cb 0.77 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1axx h GLU 38 CO 0.06 0.64 1.24 1.58 -1.16 0.00 0.00 179.01 181.37 1axx n HIS 39 N -4.57 2.02 0.29 4.33 -0.00 0.86 -4.82 115.22 113.34 1axx n HIS 39 Ca 0.01 0.12 0.17 0.00 0.46 0.00 0.00 57.72 58.48 1axx n HIS 39 Cb 0.15 -2.61 0.96 0.00 -0.12 0.00 0.00 29.99 28.37 1axx n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1axx h PRO 40 N 10.83 0.00 0.00 1.57 0.13 -1.89 0.68 132.00 143.31 1axx h PRO 40 Ca -0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1axx h PRO 40 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1axx h PRO 40 CO 0.97 0.00 -0.22 0.78 -0.23 0.00 0.00 178.00 179.31 1axx h GLY 41 N 0.00 0.00 0.00 1.56 0.00 -1.94 -3.49 103.07 99.20 1axx h GLY 41 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1axx h GLY 41 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1axx n GLY 42 N -0.21 2.86 0.15 4.60 0.00 0.23 -4.78 105.19 108.03 1axx n GLY 42 Ca -0.01 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.25 -0.14 1.61 4.22 -1.79 -3.31 114.58 114.93 1axx h GLU 43 Ca 0.00 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1axx h GLU 43 Cb 0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1axx h GLU 43 CO 0.00 0.15 -0.01 1.49 -2.18 0.00 0.00 179.01 178.46 1axx h GLU 44 N -0.88 0.03 -0.85 1.92 4.81 -1.91 0.15 114.58 117.85 1axx h GLU 44 Ca -0.03 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 1axx h GLU 44 Cb 0.51 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1axx h GLU 44 CO 0.04 0.02 0.57 -0.39 -0.73 0.00 0.00 179.01 178.52 1axx h VAL 45 N 0.03 0.70 -0.01 0.32 -1.51 -1.87 0.13 116.25 114.04 1axx h VAL 45 Ca 0.07 -0.12 -0.15 0.00 -1.23 0.00 0.00 66.70 65.27 1axx h VAL 45 Cb 0.09 0.31 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1axx h VAL 45 CO -0.12 0.07 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.65 1axx h LEU 46 N 0.36 0.52 -1.39 4.19 3.38 -0.89 -3.28 115.31 118.19 1axx h LEU 46 Ca 0.43 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1axx h LEU 46 Cb 1.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1axx h LEU 46 CO -0.14 1.19 0.00 0.03 0.09 0.00 0.00 178.44 179.61 1axx h ARG 47 N -0.11 0.00 0.11 1.13 3.08 0.10 -3.29 114.38 115.40 1axx h ARG 47 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1axx h ARG 47 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1axx h ARG 47 CO 0.11 0.00 -0.33 0.93 -1.07 0.00 0.00 179.97 179.61 1axx h GLU 48 N 0.00 -0.48 0.00 0.04 4.39 -0.90 -3.35 114.58 114.28 1axx h GLU 48 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1axx h GLU 48 Cb 0.27 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1axx h GLU 48 CO 0.00 -0.32 0.00 1.04 -1.16 0.00 0.00 179.01 178.57 1axx n GLN 49 N -4.33 0.00 -0.92 2.33 1.13 -1.25 -5.06 117.38 109.28 1axx n GLN 49 Ca -0.06 0.11 0.08 0.00 -1.94 0.00 0.00 57.00 55.20 1axx n GLN 49 Cb 0.26 -0.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.92 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 -0.84 -2.79 -3.38 -1.58 0.00 -1.24 -4.86 120.51 105.82 1axx n ALA 50 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1axx n ALA 50 Cb 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.02 -0.52 0.00 0.00 0.00 0.20 -4.55 105.19 97.30 1axx n GLY 51 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.64 0.06 3.94 -0.02 0.00 -0.03 -2.93 105.19 104.56 1axx n GLY 52 Ca -0.04 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1axx n ASP 53 N 0.00 -1.65 -0.00 1.61 8.00 -1.26 -4.38 116.55 118.86 1axx n ASP 53 Ca 0.00 -0.73 0.05 0.00 0.71 0.00 0.00 54.79 54.82 1axx n ASP 53 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 39.56 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axx n ALA 54 N -3.61 2.66 -0.07 2.24 0.00 -1.26 -4.65 120.51 115.83 1axx n ALA 54 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1axx n ALA 54 Cb 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.34 -0.97 0.00 2.02 -1.86 0.23 112.91 112.66 1axx h THR 55 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1axx h THR 55 Cb 0.37 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 1axx h THR 55 CO 0.00 0.00 0.60 -0.33 0.37 0.00 0.00 175.52 176.16 1axx h GLU 56 N -0.26 0.86 -0.07 6.66 5.08 -1.96 0.10 114.58 124.99 1axx h GLU 56 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1axx h GLU 56 Cb 0.49 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1axx h GLU 56 CO -0.43 0.57 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.10 1axx h ASN 57 N 0.89 0.20 -0.45 1.42 -0.73 -1.24 0.25 115.58 115.92 1axx h ASN 57 Ca 0.51 -0.49 0.06 0.00 1.87 0.00 0.00 56.30 58.25 1axx h ASN 57 Cb 0.59 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.08 1axx h ASN 57 CO -0.30 0.65 0.15 0.15 -0.37 0.00 0.00 177.43 177.70 1axx h PHE 58 N -0.25 0.25 0.02 0.67 3.57 -0.21 -1.90 116.94 119.10 1axx h PHE 58 Ca 0.01 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.31 1axx h PHE 58 Cb 0.59 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1axx h PHE 58 CO 0.09 0.08 -0.95 0.93 -2.23 0.00 0.00 178.31 176.23 1axx h GLU 59 N 0.31 0.32 -0.03 1.11 4.39 -0.79 0.32 114.58 120.20 1axx h GLU 59 Ca 0.21 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1axx h GLU 59 Cb 0.23 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1axx h GLU 59 CO -0.23 1.06 -0.32 0.22 -1.16 0.00 0.00 179.01 178.58 1axx h ASP 60 N 0.17 -0.96 1.15 1.42 3.58 -0.28 -0.70 116.42 120.80 1axx h ASP 60 Ca -0.07 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1axx h ASP 60 Cb 1.59 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 43.03 1axx h ASP 60 CO 0.16 -0.37 -0.07 0.58 -2.88 0.00 0.00 179.24 176.66 1axx h VAL 61 N -0.45 0.16 0.00 2.25 2.07 -1.33 -3.47 116.25 115.48 1axx h VAL 61 Ca 0.07 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1axx h VAL 61 Cb 0.55 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1axx h VAL 61 CO -0.29 0.06 0.00 0.61 0.02 0.00 0.00 177.57 177.98 1axx n GLY 62 N 0.24 1.86 1.13 2.17 0.00 0.11 -4.90 105.19 105.80 1axx n GLY 62 Ca 0.01 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.04 -2.30 1.61 8.25 -1.24 -4.60 115.22 113.90 1axx n HIS 63 Ca 0.00 1.68 -0.30 0.00 -0.26 0.00 0.00 57.72 58.84 1axx n HIS 63 Cb 0.00 -2.75 -0.01 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 -6.34 6.35 0.40 0.41 0.01 -1.26 -4.97 113.70 108.29 1axx s SER 64 Ca 0.00 1.28 0.13 0.00 1.31 0.00 0.00 55.95 58.67 1axx s SER 64 Cb 0.00 -2.40 0.96 0.00 0.21 0.00 0.00 66.02 64.79 1axx s SER 64 CO 0.00 -0.68 1.90 0.74 0.41 0.00 0.00 173.24 175.61 1axx h THR 65 N 0.23 0.81 -0.90 1.44 2.02 -2.00 0.11 112.91 114.61 1axx h THR 65 Ca -0.46 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 66.68 1axx h THR 65 Cb 1.19 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.70 1axx h THR 65 CO 0.62 0.10 -0.37 0.47 0.37 0.00 0.00 175.52 176.70 1axx n ASP 66 N -4.51 -0.63 -0.28 4.18 9.92 -1.26 -0.65 116.55 123.32 1axx n ASP 66 Ca 0.16 1.58 -0.05 0.00 -0.53 0.00 0.00 54.79 55.95 1axx n ASP 66 Cb 0.51 -0.34 0.06 0.00 -0.64 0.00 0.00 41.12 40.71 1axx n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1axx h ALA 67 N 1.15 0.97 0.28 2.24 0.00 -1.15 0.17 119.26 122.93 1axx h ALA 67 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1axx h ALA 67 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1axx h ALA 67 CO -0.89 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 178.64 1axx h ARG 68 N 1.05 -0.42 -0.64 0.00 3.08 -0.87 0.12 114.38 116.71 1axx h ARG 68 Ca 0.27 0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 1axx h ARG 68 Cb -0.03 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1axx h ARG 68 CO -0.05 -0.28 0.04 1.05 -1.07 0.00 0.00 179.97 179.66 1axx h GLU 69 N -0.43 1.10 -0.72 0.04 4.11 -0.87 -2.75 114.58 115.06 1axx h GLU 69 Ca -0.03 -0.33 0.06 0.00 0.07 0.00 0.00 59.36 59.14 1axx h GLU 69 Cb 0.36 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1axx h GLU 69 CO 0.03 1.04 0.41 1.25 0.07 0.00 0.00 179.01 181.81 1axx h LEU 70 N 1.01 0.60 -1.17 3.06 5.85 -0.48 -1.70 115.31 122.49 1axx h LEU 70 Ca 0.19 0.03 0.30 0.00 0.84 0.00 0.00 57.88 59.23 1axx h LEU 70 Cb 0.52 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 1axx h LEU 70 CO 0.02 0.38 0.64 -1.28 -0.34 0.00 0.00 178.44 177.87 1axx h SER 71 N 0.74 0.51 -0.92 1.25 0.87 -0.44 0.22 113.55 115.77 1axx h SER 71 Ca 0.32 0.14 0.18 0.00 -1.23 0.00 0.00 61.79 61.20 1axx h SER 71 Cb 0.21 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.14 1axx h SER 71 CO -0.19 -0.01 0.49 0.11 -0.53 0.00 0.00 176.83 176.70 1axx h LYS 72 N 0.39 0.61 -0.16 2.24 1.57 -1.34 0.21 116.57 120.10 1axx h LYS 72 Ca 0.68 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.47 1axx h LYS 72 Cb 1.61 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 1axx h LYS 72 CO -0.45 0.40 0.21 1.15 -0.57 0.00 0.00 179.45 180.20 1axx h THR 73 N 0.63 0.37 -0.31 -0.16 2.02 -1.10 -0.71 112.91 113.64 1axx h THR 73 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1axx h THR 73 Cb 0.83 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1axx h THR 73 CO -0.40 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.27 1axx n TYR 74 N -3.63 0.40 -1.86 3.16 4.01 0.71 -4.95 117.16 115.01 1axx n TYR 74 Ca 0.01 -0.23 -0.41 0.00 -0.16 0.00 0.00 57.90 57.11 1axx n TYR 74 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.40 3.29 0.04 -0.72 2.07 -0.28 -2.52 121.20 121.69 1axx s ILE 75 Ca 0.33 0.26 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 1axx s ILE 75 Cb 0.20 -3.47 -0.29 0.00 0.13 0.00 0.00 42.46 39.03 1axx s ILE 75 CO 0.28 -0.36 1.02 0.16 -1.91 0.00 0.00 174.94 174.13 1axx h ILE 76 N 7.02 1.35 -0.03 2.00 3.07 -1.53 -3.48 117.51 125.91 1axx h ILE 76 Ca -0.33 -2.94 0.00 0.00 1.55 0.00 0.00 64.86 63.15 1axx h ILE 76 Cb 1.20 2.88 0.00 0.00 -0.27 0.00 0.00 36.82 40.62 1axx h ILE 76 CO 1.07 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 179.63 1axx n GLY 77 N 1.60 0.93 3.13 0.16 0.00 -0.89 -4.78 105.19 105.33 1axx n GLY 77 Ca -0.12 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1axx s GLU 78 N 1.43 0.74 0.11 1.61 1.03 0.26 -0.58 118.70 123.30 1axx s GLU 78 Ca 0.00 -1.26 -0.30 0.00 0.03 0.00 0.00 54.97 53.44 1axx s GLU 78 Cb 0.00 0.24 -0.07 0.00 -0.80 0.00 0.00 34.13 33.50 1axx s GLU 78 CO 0.00 -0.18 1.20 -0.51 -1.33 0.00 0.00 175.26 174.45 1axx s LEU 79 N -2.95 4.40 0.25 1.83 1.43 -1.26 -0.52 118.68 121.86 1axx s LEU 79 Ca 0.12 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 55.03 1axx s LEU 79 Cb 0.07 -3.59 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1axx s LEU 79 CO -0.06 -0.44 0.97 1.57 0.23 0.00 0.00 176.35 178.62 1axx n HIS 80 N 3.44 1.03 0.94 0.29 -0.00 0.45 -4.73 115.22 116.64 1axx n HIS 80 Ca 0.07 0.74 0.08 0.00 -0.00 0.00 0.00 57.72 58.62 1axx n HIS 80 Cb 0.46 -2.21 0.47 0.00 -0.00 0.00 0.00 29.99 28.70 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 0.96 0.40 -0.09 1.57 -0.04 -1.26 -1.58 135.00 134.97 1axx n PRO 81 Ca 0.12 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1axx n PRO 81 Cb 0.29 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.35 -0.14 3.54 3.58 -1.99 -3.33 116.42 118.44 1axx h ASP 82 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1axx h ASP 82 Cb 0.07 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1axx h ASP 82 CO 0.00 0.28 0.00 -0.67 -2.88 0.00 0.00 179.24 175.97 1axx n ASP 83 N -4.86 2.67 -0.27 2.28 2.03 -0.61 -4.54 116.55 113.24 1axx n ASP 83 Ca -0.01 -1.78 0.08 0.00 0.52 0.00 0.00 54.79 53.59 1axx n ASP 83 Cb 0.04 -0.08 0.31 0.00 -0.72 0.00 0.00 41.12 40.67 1axx n ASP 83 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1axx h ARG 84 N 3.32 0.83 -0.76 -0.67 0.11 -1.65 -2.70 114.38 112.86 1axx h ARG 84 Ca 0.00 -0.05 -0.48 0.00 0.10 0.00 0.00 59.98 59.55 1axx h ARG 84 Cb 0.75 -0.19 -0.27 0.00 1.11 0.00 0.00 29.97 31.38 1axx h ARG 84 CO 0.00 0.55 0.23 0.45 0.10 0.00 0.00 179.97 181.30 1axx n SER 85 N -4.53 4.81 0.00 0.08 2.88 -1.26 -4.50 113.62 111.10 1axx n SER 85 Ca 0.15 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.94 1axx n SER 85 Cb 0.32 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.99 0.00 -1.64 -1.46 4.81 -1.03 -5.03 118.16 112.83 1axx n LYS 86 Ca 0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 57.44 1axx n LYS 86 Cb 1.04 -0.39 -0.06 0.00 0.02 0.00 0.00 35.03 35.65 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 -1.62 0.43 -3.59 3.15 2.08 -1.16 -4.91 119.36 113.74 1axx n ILE 87 Ca 0.00 -0.15 -0.07 0.00 0.56 0.00 0.00 62.75 63.09 1axx n ILE 87 Cb 0.00 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.15 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1axx s ALA 88 N 4.88 -1.72 -0.08 -1.39 0.00 -1.26 -5.08 121.76 117.12 1axx s ALA 88 Ca 0.98 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.49 1axx s ALA 88 Cb -0.79 0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1axx s ALA 88 CO 0.53 -0.83 0.11 1.17 0.00 0.00 0.00 175.76 176.75 1axx n LYS 89 N -0.34 -2.20 -1.84 0.00 0.00 -1.26 -4.95 118.16 107.57 1axx n LYS 89 Ca -0.09 1.91 -0.40 0.00 0.00 0.00 0.00 58.31 59.73 1axx n LYS 89 Cb 0.62 -2.90 0.01 0.00 0.00 0.00 0.00 35.03 32.75 1axx n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1axx s PRO 90 N -0.88 3.92 -0.17 1.64 0.04 -1.26 -4.96 135.00 133.34 1axx s PRO 90 Ca -0.13 2.45 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 1axx s PRO 90 Cb 0.01 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1axx s PRO 90 CO 0.35 -0.64 0.66 0.45 0.04 0.00 0.00 177.00 177.87 1axx s SER 91 N -0.38 6.78 0.24 6.66 0.15 -1.26 -5.05 113.70 120.85 1axx s SER 91 Ca 0.56 0.95 -0.30 0.00 0.70 0.00 0.00 55.95 57.86 1axx s SER 91 Cb -0.44 -2.37 -0.10 0.00 -1.71 0.00 0.00 66.02 61.40 1axx s SER 91 CO 0.58 -0.25 1.44 -1.61 1.20 0.00 0.00 173.24 174.61 1axx s GLU 92 N 1.67 4.27 -0.34 5.44 0.41 -1.26 -4.93 118.70 123.96 1axx s GLU 92 Ca 0.32 2.30 0.15 0.00 -0.41 0.00 0.00 54.97 57.32 1axx s GLU 92 Cb -0.16 -3.11 0.44 0.00 -1.78 0.00 0.00 34.13 29.51 1axx s GLU 92 CO 0.12 -0.42 1.17 -2.37 -0.49 0.00 0.00 175.26 173.27 1axx n THR 93 N 2.40 0.59 -0.71 3.63 5.66 -1.26 -5.26 114.28 119.34 1axx n THR 93 Ca 0.07 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 58.77 1axx n THR 93 Cb 0.40 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.09 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91