#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axx n LYS 2 N 0.00 0.00 -0.09 0.11 4.01 -1.26 -3.96 118.16 116.97 2axx n LYS 2 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 2axx n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 2axx n LYS 2 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2axx n ASP 3 N 0.68 1.69 -1.37 4.39 5.75 -1.26 -5.06 116.55 121.38 2axx n ASP 3 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2axx n ASP 3 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 2axx n ASP 3 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2axx n VAL 4 N -4.14 0.00 -2.95 2.12 0.24 -1.25 -5.07 118.33 107.28 2axx n VAL 4 Ca -0.30 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 2axx n VAL 4 Cb 0.64 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2axx n LYS 5 N 0.00 1.05 -2.01 7.34 4.01 -1.26 0.38 118.16 127.67 2axx n LYS 5 Ca 0.00 -3.27 -0.43 0.00 -0.51 0.00 0.00 58.31 54.10 2axx n LYS 5 Cb 0.00 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.03 2axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2axx s TYR 6 N -2.63 1.87 -0.02 2.13 2.02 -1.26 -1.32 117.35 118.15 2axx s TYR 6 Ca 0.34 0.54 0.06 0.00 -0.37 0.00 0.00 57.07 57.63 2axx s TYR 6 Cb 0.40 -4.07 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 2axx s TYR 6 CO -0.03 -3.12 -0.19 0.71 -1.57 0.00 0.00 175.55 171.35 2axx s TYR 7 N 6.16 2.56 0.70 2.71 2.02 -0.56 -4.66 117.35 126.27 2axx s TYR 7 Ca 0.78 -0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 57.11 2axx s TYR 7 Cb -0.25 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2axx s TYR 7 CO 0.32 0.14 1.07 0.95 -1.57 0.00 0.00 175.55 176.46 2axx s THR 8 N -0.74 3.36 0.09 -0.71 -4.23 -1.26 -0.65 115.64 111.50 2axx s THR 8 Ca 0.12 0.34 -0.32 0.00 -1.18 0.00 0.00 61.69 60.65 2axx s THR 8 Cb -0.10 -3.42 -0.14 0.00 1.34 0.00 0.00 72.50 70.18 2axx s THR 8 CO 0.01 -0.53 1.51 -0.07 -0.54 0.00 0.00 174.62 174.99 2axx h LEU 9 N -0.61 -1.45 -0.61 4.79 -0.00 -1.98 -0.24 115.31 115.21 2axx h LEU 9 Ca -0.45 0.15 0.11 0.00 -0.00 0.00 0.00 57.88 57.69 2axx h LEU 9 Cb 1.26 0.53 -0.12 0.00 -0.00 0.00 0.00 40.66 42.33 2axx h LEU 9 CO 0.63 -0.52 -0.29 -0.33 -0.00 0.00 0.00 178.44 177.94 2axx h GLU 10 N -0.71 -0.12 0.16 1.13 5.08 -1.96 0.19 114.58 118.36 2axx h GLU 10 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2axx h GLU 10 Cb 0.71 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2axx h GLU 10 CO -0.25 -0.08 -0.27 1.49 -1.00 0.00 0.00 179.01 178.90 2axx h GLU 11 N -0.12 -0.49 -0.61 2.33 4.81 -1.75 0.12 114.58 118.87 2axx h GLU 11 Ca 0.26 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 2axx h GLU 11 Cb 0.54 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 2axx h GLU 11 CO -0.68 -0.33 0.19 0.82 -0.73 0.00 0.00 179.01 178.29 2axx h ILE 12 N -0.51 0.71 0.00 2.32 2.04 -0.54 -1.34 117.51 120.19 2axx h ILE 12 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2axx h ILE 12 Cb 0.52 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2axx h ILE 12 CO -0.13 0.06 0.00 -0.61 0.00 0.00 0.00 178.15 177.47 2axx h GLN 13 N 0.35 0.00 0.01 2.37 4.15 0.74 -1.58 115.11 121.15 2axx h GLN 13 Ca 0.32 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.55 2axx h GLN 13 Cb 0.43 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2axx h GLN 13 CO -0.35 0.00 -0.88 0.87 -1.93 0.00 0.00 178.83 176.54 2axx h LYS 14 N 0.00 0.06 -4.92 1.69 1.57 0.38 -3.40 116.57 111.94 2axx h LYS 14 Ca 0.00 -0.07 -0.64 0.00 -1.87 0.00 0.00 60.65 58.07 2axx h LYS 14 Cb 0.32 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2axx h LYS 14 CO 0.00 0.90 2.40 0.72 -0.57 0.00 0.00 179.45 182.90 2axx n HIS 15 N -3.55 3.56 -2.05 -1.35 8.25 -0.59 -4.43 115.22 115.05 2axx n HIS 15 Ca -0.01 -2.54 0.05 0.00 -0.26 0.00 0.00 57.72 54.95 2axx n HIS 15 Cb 0.83 -2.46 0.08 0.00 1.12 0.00 0.00 29.99 29.56 2axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2axx n LYS 16 N 7.34 0.58 -1.25 -0.41 4.81 -0.81 -2.23 118.16 126.18 2axx n LYS 16 Ca 0.50 -2.31 -0.30 0.00 -0.87 0.00 0.00 58.31 55.33 2axx n LYS 16 Cb 0.43 -0.67 0.21 0.00 0.02 0.00 0.00 35.03 35.02 2axx n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2axx s ASP 17 N -2.31 1.69 0.18 3.14 -1.08 0.33 -4.81 116.67 113.80 2axx s ASP 17 Ca 0.31 0.69 -0.13 0.00 -0.52 0.00 0.00 52.55 52.89 2axx s ASP 17 Cb 0.33 -1.00 0.13 0.00 -1.46 0.00 0.00 42.92 40.91 2axx s ASP 17 CO -0.10 -3.66 1.78 0.77 0.52 0.00 0.00 175.17 174.48 2axx h SER 18 N -2.26 0.32 -1.52 -0.34 4.64 -2.00 -3.16 113.55 109.24 2axx h SER 18 Ca -0.47 0.03 -0.50 0.00 -0.47 0.00 0.00 61.79 60.38 2axx h SER 18 Cb 1.30 -0.03 -0.41 0.00 -0.31 0.00 0.00 62.40 62.95 2axx h SER 18 CO 0.41 0.23 -0.92 0.29 -0.87 0.00 0.00 176.83 175.96 2axx n LYS 19 N -4.91 2.39 -2.75 4.77 5.02 -1.26 -4.75 118.16 116.67 2axx n LYS 19 Ca 0.04 -4.03 -0.08 0.00 -2.02 0.00 0.00 58.31 52.22 2axx n LYS 19 Cb 0.14 -1.86 0.06 0.00 -0.02 0.00 0.00 35.03 33.34 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2axx n SER 20 N -0.23 -2.81 -4.58 4.39 2.88 -1.19 -5.01 113.62 107.07 2axx n SER 20 Ca 0.27 -3.33 -0.40 0.00 -1.33 0.00 0.00 58.87 54.08 2axx n SER 20 Cb 0.67 1.83 -0.09 0.00 -0.75 0.00 0.00 64.21 65.87 2axx n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2axx s THR 21 N 0.64 5.17 0.47 2.46 2.01 -1.25 -0.51 115.64 124.62 2axx s THR 21 Ca 0.31 0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.79 2axx s THR 21 Cb 0.24 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 69.04 2axx s THR 21 CO -0.22 0.07 0.62 0.26 -0.69 0.00 0.00 174.62 174.66 2axx s TRP 22 N 2.06 2.34 -0.02 4.92 0.52 -0.95 -3.04 118.94 124.78 2axx s TRP 22 Ca 0.14 -0.52 -0.24 0.00 0.02 0.00 0.00 56.10 55.50 2axx s TRP 22 Cb -0.16 -2.30 0.05 0.00 -1.15 0.00 0.00 33.47 29.91 2axx s TRP 22 CO 0.11 -0.63 0.53 0.14 0.02 0.00 0.00 176.95 177.11 2axx s VAL 23 N -2.47 0.02 -0.13 4.03 -7.23 -0.85 -0.01 120.40 113.77 2axx s VAL 23 Ca 0.56 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2axx s VAL 23 Cb -0.08 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 2axx s VAL 23 CO 0.34 -0.11 -0.15 0.27 -0.31 0.00 0.00 175.10 175.14 2axx s ILE 24 N -1.40 2.90 -0.15 -0.62 -5.25 -0.48 -0.84 121.20 115.35 2axx s ILE 24 Ca -0.11 -0.72 0.00 0.00 -0.99 0.00 0.00 60.65 58.83 2axx s ILE 24 Cb -0.02 -2.21 0.03 0.00 2.95 0.00 0.00 42.46 43.22 2axx s ILE 24 CO 0.06 0.53 -0.10 -0.76 -1.79 0.00 0.00 174.94 172.88 2axx s LEU 25 N 0.36 1.69 -1.19 0.37 1.43 -0.16 -2.38 118.68 118.79 2axx s LEU 25 Ca -0.12 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2axx s LEU 25 Cb -0.16 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 2axx s LEU 25 CO 0.06 -0.11 0.87 1.41 0.23 0.00 0.00 176.35 178.81 2axx n HIS 26 N 4.81 -2.15 -1.94 0.29 8.25 -1.26 -2.53 115.22 120.69 2axx n HIS 26 Ca -0.15 0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 57.97 2axx n HIS 26 Cb 0.49 -4.53 -0.05 0.00 1.12 0.00 0.00 29.99 27.02 2axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2axx n HIS 27 N -3.97 -0.54 -4.71 4.41 8.25 -1.26 -4.97 115.22 112.43 2axx n HIS 27 Ca -0.23 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.96 2axx n HIS 27 Cb 0.65 -3.49 -0.17 0.00 1.12 0.00 0.00 29.99 28.11 2axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2axx s LYS 28 N -4.27 2.13 -0.12 -0.41 1.02 -1.05 -3.16 119.74 113.87 2axx s LYS 28 Ca 0.00 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.23 2axx s LYS 28 Cb 0.00 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2axx s LYS 28 CO 0.00 0.04 0.58 0.08 -0.92 0.00 0.00 175.35 175.13 2axx s VAL 29 N 0.66 5.11 -0.17 3.17 1.01 0.13 -0.98 120.40 129.33 2axx s VAL 29 Ca -0.14 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2axx s VAL 29 Cb -0.16 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2axx s VAL 29 CO 0.04 0.25 -0.17 -0.31 0.00 0.00 0.00 175.10 174.91 2axx s TYR 30 N 0.99 2.77 -0.46 5.22 2.02 -0.02 -1.11 117.35 126.75 2axx s TYR 30 Ca 0.30 -1.34 -0.23 0.00 -0.37 0.00 0.00 57.07 55.43 2axx s TYR 30 Cb -0.16 -1.91 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2axx s TYR 30 CO 0.13 -0.65 0.77 0.34 -1.57 0.00 0.00 175.55 174.57 2axx s ASP 31 N 1.07 6.38 0.00 2.29 -1.08 -0.84 -2.01 116.67 122.49 2axx s ASP 31 Ca -0.00 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 2axx s ASP 31 Cb -0.14 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2axx s ASP 31 CO -0.06 -0.92 0.00 0.18 0.52 0.00 0.00 175.17 174.89 2axx n LEU 32 N 6.68 0.00 0.00 -1.34 4.77 -1.23 -4.83 117.00 121.05 2axx n LEU 32 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2axx n LEU 32 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2axx n LEU 32 CO 0.58 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.05 2axx n THR 33 N 0.00 0.00 1.53 -5.08 -1.04 -1.17 -3.68 114.28 104.85 2axx n THR 33 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2axx n THR 33 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 2axx n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2axx n LYS 34 N 0.00 0.77 0.00 -2.82 5.02 -1.26 -2.37 118.16 117.50 2axx n LYS 34 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2axx n LYS 34 Cb 0.00 -1.22 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2axx n PHE 35 N -0.72 0.00 0.08 2.13 7.35 -1.24 -4.70 117.46 120.36 2axx n PHE 35 Ca 0.08 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.65 2axx n PHE 35 Cb 0.04 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.81 2axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2axx h LEU 36 N 1.07 -0.96 -0.24 -2.13 3.38 -1.79 0.19 115.31 114.83 2axx h LEU 36 Ca 0.00 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2axx h LEU 36 Cb 0.28 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2axx h LEU 36 CO 0.00 -0.40 0.01 -0.33 0.09 0.00 0.00 178.44 177.81 2axx h GLU 37 N -0.51 0.43 -0.91 1.13 5.08 -1.86 -2.75 114.58 115.20 2axx h GLU 37 Ca 0.05 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2axx h GLU 37 Cb 0.57 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2axx h GLU 37 CO -0.24 0.59 0.60 0.93 -1.00 0.00 0.00 179.01 179.90 2axx h GLU 38 N 0.21 1.18 -6.16 2.33 5.08 -1.75 -3.43 114.58 112.03 2axx h GLU 38 Ca 0.07 -0.07 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 2axx h GLU 38 Cb 0.40 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2axx h GLU 38 CO 0.01 0.78 1.05 1.58 -1.00 0.00 0.00 179.01 181.43 2axx n HIS 39 N -4.47 2.07 0.15 4.33 -0.00 0.65 -4.83 115.22 113.11 2axx n HIS 39 Ca 0.10 0.33 0.03 0.00 0.46 0.00 0.00 57.72 58.65 2axx n HIS 39 Cb 0.03 -2.53 0.42 0.00 -0.12 0.00 0.00 29.99 27.79 2axx n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 40 N 8.67 0.17 0.00 1.57 0.13 -1.90 0.20 132.00 140.84 2axx h PRO 40 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2axx h PRO 40 Cb 1.31 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2axx h PRO 40 CO 0.97 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2axx n GLY 41 N -0.92 -0.79 0.00 1.56 0.00 -1.26 -4.97 105.19 98.81 2axx n GLY 41 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 42 N -0.12 1.06 0.12 -0.02 0.00 0.69 -4.59 105.19 102.34 2axx n GLY 42 Ca 0.06 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 2axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2axx h GLU 43 N 0.00 0.29 0.37 1.61 4.22 -1.72 -3.34 114.58 116.02 2axx h GLU 43 Ca 0.00 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 2axx h GLU 43 Cb 0.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2axx h GLU 43 CO 0.00 1.08 -0.28 1.49 -2.18 0.00 0.00 179.01 179.11 2axx h GLU 44 N -0.34 -0.63 -0.58 1.92 4.81 -1.88 0.15 114.58 118.03 2axx h GLU 44 Ca -0.07 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 2axx h GLU 44 Cb 1.28 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2axx h GLU 44 CO 0.10 -0.42 0.41 -0.24 -0.73 0.00 0.00 179.01 178.13 2axx h VAL 45 N -0.66 0.76 -0.11 0.32 3.04 -1.81 0.12 116.25 117.91 2axx h VAL 45 Ca -0.03 -0.04 -0.11 0.00 -1.01 0.00 0.00 66.70 65.51 2axx h VAL 45 Cb 0.57 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2axx h VAL 45 CO -0.00 0.02 -0.35 -0.07 -1.01 0.00 0.00 177.57 176.16 2axx h LEU 46 N 0.12 0.50 -0.90 3.16 3.38 -1.09 -3.28 115.31 117.20 2axx h LEU 46 Ca 0.28 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2axx h LEU 46 Cb 0.94 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2axx h LEU 46 CO -0.03 1.02 0.00 0.03 0.09 0.00 0.00 178.44 179.54 2axx h ARG 47 N 0.01 0.00 -0.19 1.13 3.08 0.12 -3.28 114.38 115.26 2axx h ARG 47 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2axx h ARG 47 Cb 0.97 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2axx h ARG 47 CO 0.07 0.00 -0.20 0.93 -1.07 0.00 0.00 179.97 179.70 2axx h GLU 48 N 0.00 -0.11 0.00 0.04 4.39 -0.92 -3.34 114.58 114.63 2axx h GLU 48 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2axx h GLU 48 Cb 0.52 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2axx h GLU 48 CO 0.00 -0.07 0.00 1.04 -1.16 0.00 0.00 179.01 178.82 2axx n GLN 49 N -3.68 0.00 -1.46 2.33 1.13 -1.26 -5.10 117.38 109.34 2axx n GLN 49 Ca -0.01 0.31 0.04 0.00 -1.94 0.00 0.00 57.00 55.40 2axx n GLN 49 Cb 0.11 -0.80 -0.02 0.00 0.11 0.00 0.00 30.24 29.64 2axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2axx n ALA 50 N -2.13 -2.27 -3.81 -1.58 0.00 -1.24 -4.88 120.51 104.60 2axx n ALA 50 Ca 0.00 0.52 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 2axx n ALA 50 Cb 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.12 2axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2axx n GLY 51 N -2.99 -1.02 0.00 0.00 0.00 0.98 -4.90 105.19 97.25 2axx n GLY 51 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2axx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 52 N -1.84 -0.92 3.44 -0.02 0.00 -1.26 -3.83 105.19 100.76 2axx n GLY 52 Ca -0.14 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 2axx n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2axx n ASP 53 N 0.00 3.38 -0.07 1.61 8.00 0.12 -1.38 116.55 128.22 2axx n ASP 53 Ca 0.00 -2.75 0.09 0.00 0.71 0.00 0.00 54.79 52.85 2axx n ASP 53 Cb 0.00 -1.61 0.52 0.00 -0.02 0.00 0.00 41.12 40.01 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2axx n ALA 54 N 11.36 2.60 -0.16 2.24 0.00 -1.00 -4.02 120.51 131.52 2axx n ALA 54 Ca 0.47 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 2axx n ALA 54 Cb 0.45 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.63 2axx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2axx h THR 55 N 0.26 0.25 -0.80 0.00 2.02 -1.84 -0.20 112.91 112.60 2axx h THR 55 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2axx h THR 55 Cb 0.06 0.25 -0.13 0.00 -1.74 0.00 0.00 68.15 66.58 2axx h THR 55 CO 0.00 0.00 -0.42 -0.33 0.37 0.00 0.00 175.52 175.14 2axx h GLU 56 N -0.18 -0.09 -0.06 6.66 3.07 -1.94 0.32 114.58 122.36 2axx h GLU 56 Ca 0.21 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.89 2axx h GLU 56 Cb 0.52 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2axx h GLU 56 CO -0.59 -0.06 -0.75 -0.97 -1.40 0.00 0.00 179.01 175.24 2axx h ASN 57 N -0.10 0.43 -0.40 1.42 -0.00 -1.69 0.18 115.58 115.43 2axx h ASN 57 Ca 0.26 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 56.25 2axx h ASN 57 Cb 0.56 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 2axx h ASN 57 CO -0.84 1.03 0.19 0.15 -0.00 0.00 0.00 177.43 177.96 2axx h PHE 58 N 0.24 0.57 0.02 0.67 3.57 0.20 -3.10 116.94 119.10 2axx h PHE 58 Ca -0.03 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 2axx h PHE 58 Cb 1.33 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2axx h PHE 58 CO 0.04 0.47 -0.95 0.93 -2.23 0.00 0.00 178.31 176.57 2axx h GLU 59 N 0.50 0.06 -0.93 1.11 4.39 -0.33 0.37 114.58 119.75 2axx h GLU 59 Ca 0.14 -0.09 0.22 0.00 0.34 0.00 0.00 59.36 59.96 2axx h GLU 59 Cb 0.11 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.67 2axx h GLU 59 CO -0.02 0.96 0.48 0.22 -1.16 0.00 0.00 179.01 179.50 2axx h ASP 60 N 0.03 0.51 0.71 1.42 3.58 -0.64 -0.41 116.42 121.60 2axx h ASP 60 Ca -0.03 0.14 -0.26 0.00 0.42 0.00 0.00 57.03 57.30 2axx h ASP 60 Cb 1.65 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.73 2axx h ASP 60 CO 0.13 0.08 -1.40 0.58 -2.88 0.00 0.00 179.24 175.75 2axx h VAL 61 N 0.52 1.22 0.00 2.25 2.07 -1.43 -3.49 116.25 117.39 2axx h VAL 61 Ca 0.58 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2axx h VAL 61 Cb 1.05 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2axx h VAL 61 CO -0.48 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.43 2axx n GLY 62 N 1.47 2.42 1.13 2.17 0.00 0.13 -4.91 105.19 107.61 2axx n GLY 62 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2axx n HIS 63 N 0.00 -2.96 -1.52 1.61 8.25 -1.26 -4.66 115.22 114.69 2axx n HIS 63 Ca 0.00 1.54 -0.29 0.00 -0.26 0.00 0.00 57.72 58.71 2axx n HIS 63 Cb 0.00 -2.81 0.11 0.00 1.12 0.00 0.00 29.99 28.41 2axx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2axx s SER 64 N -1.87 3.99 0.26 0.41 0.01 -1.26 -4.84 113.70 110.41 2axx s SER 64 Ca 0.00 1.18 -0.04 0.00 1.31 0.00 0.00 55.95 58.40 2axx s SER 64 Cb 0.00 -1.84 0.54 0.00 0.21 0.00 0.00 66.02 64.92 2axx s SER 64 CO 0.00 -2.27 1.63 0.74 0.41 0.00 0.00 173.24 173.75 2axx h THR 65 N -1.30 0.29 -0.95 1.44 2.02 -1.99 -1.52 112.91 110.90 2axx h THR 65 Ca -0.49 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 66.75 2axx h THR 65 Cb 1.30 0.16 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 2axx h THR 65 CO 0.60 0.02 -0.54 0.47 0.37 0.00 0.00 175.52 176.44 2axx n ASP 66 N -5.34 -0.96 0.26 4.18 9.92 -1.26 -0.37 116.55 122.97 2axx n ASP 66 Ca 0.17 1.69 -0.16 0.00 -0.53 0.00 0.00 54.79 55.96 2axx n ASP 66 Cb 0.55 -0.24 -0.08 0.00 -0.64 0.00 0.00 41.12 40.72 2axx n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2axx h ALA 67 N 0.58 -0.63 -0.96 2.24 0.00 -1.65 0.84 119.26 119.68 2axx h ALA 67 Ca 0.17 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.16 2axx h ALA 67 Cb 0.41 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 2axx h ALA 67 CO -0.90 -0.86 0.54 0.00 0.00 0.00 0.00 179.25 178.03 2axx h ARG 68 N -0.64 0.61 -0.14 0.00 3.08 -0.83 0.27 114.38 116.75 2axx h ARG 68 Ca -0.05 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.79 2axx h ARG 68 Cb 0.51 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2axx h ARG 68 CO 0.07 0.40 -0.57 0.93 -1.07 0.00 0.00 179.97 179.73 2axx h GLU 69 N 0.63 0.63 -0.49 0.04 4.39 -0.48 -2.98 114.58 116.32 2axx h GLU 69 Ca 0.58 -0.50 0.07 0.00 0.34 0.00 0.00 59.36 59.85 2axx h GLU 69 Cb 0.99 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 2axx h GLU 69 CO -0.43 1.12 0.18 1.25 -1.16 0.00 0.00 179.01 179.96 2axx h LEU 70 N 0.29 0.19 -0.86 1.33 7.12 0.13 -0.22 115.31 123.28 2axx h LEU 70 Ca -0.03 0.06 0.22 0.00 0.13 0.00 0.00 57.88 58.25 2axx h LEU 70 Cb 1.21 0.04 -0.15 0.00 -0.53 0.00 0.00 40.66 41.23 2axx h LEU 70 CO 0.12 0.14 0.07 0.28 -0.13 0.00 0.00 178.44 178.92 2axx h SER 71 N 0.36 -0.30 -0.67 1.25 0.02 -0.54 0.11 113.55 113.77 2axx h SER 71 Ca 0.24 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.55 2axx h SER 71 Cb 0.25 0.37 -0.10 0.00 0.14 0.00 0.00 62.40 63.06 2axx h SER 71 CO -0.24 -0.23 0.15 0.50 -1.14 0.00 0.00 176.83 175.87 2axx h LYS 72 N 0.10 0.25 -0.01 3.45 3.64 -0.87 0.37 116.57 123.50 2axx h LYS 72 Ca 0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2axx h LYS 72 Cb 0.99 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2axx h LYS 72 CO -0.74 0.17 0.02 1.15 -2.27 0.00 0.00 179.45 177.77 2axx h THR 73 N 0.26 0.51 -0.02 1.00 2.02 -0.71 -0.67 112.91 115.31 2axx h THR 73 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 2axx h THR 73 Cb 0.58 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2axx h THR 73 CO -0.46 0.00 -0.29 -1.22 0.37 0.00 0.00 175.52 173.92 2axx n TYR 74 N -3.82 0.00 -1.97 3.16 4.01 0.11 -4.95 117.16 113.70 2axx n TYR 74 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2axx n TYR 74 Cb 0.10 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2axx s ILE 75 N -2.36 3.06 -0.21 -0.72 2.07 -0.04 -1.98 121.20 121.01 2axx s ILE 75 Ca 0.24 0.56 -0.16 0.00 -1.41 0.00 0.00 60.65 59.87 2axx s ILE 75 Cb 0.19 -3.36 -0.11 0.00 0.13 0.00 0.00 42.46 39.31 2axx s ILE 75 CO 0.49 0.01 -0.17 2.30 -1.91 0.00 0.00 174.94 175.66 2axx n ILE 76 N 4.60 1.50 0.00 2.00 -5.35 -0.27 -4.90 119.36 116.94 2axx n ILE 76 Ca 0.15 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2axx n ILE 76 Cb 0.41 -2.13 0.00 0.00 -1.74 0.00 0.00 39.64 36.18 2axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2axx n GLY 77 N 1.42 2.65 3.50 3.28 0.00 -1.18 -4.35 105.19 110.50 2axx n GLY 77 Ca -0.30 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2axx s GLU 78 N 4.46 1.37 0.15 1.61 -1.05 -0.44 -0.69 118.70 124.12 2axx s GLU 78 Ca 0.00 -1.04 -0.31 0.00 -0.15 0.00 0.00 54.97 53.47 2axx s GLU 78 Cb 0.00 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 34.07 2axx s GLU 78 CO 0.00 -0.56 1.44 -0.51 0.95 0.00 0.00 175.26 176.58 2axx s LEU 79 N -2.93 4.38 0.14 1.83 1.43 -1.19 -1.50 118.68 120.84 2axx s LEU 79 Ca 0.14 2.46 -0.34 0.00 -1.03 0.00 0.00 54.13 55.36 2axx s LEU 79 Cb 0.00 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.47 2axx s LEU 79 CO 0.01 -0.70 1.27 1.57 0.23 0.00 0.00 176.35 178.72 2axx n HIS 80 N 3.64 1.47 0.20 0.29 -0.00 0.18 -4.78 115.22 116.23 2axx n HIS 80 Ca 0.11 0.63 0.11 0.00 0.46 0.00 0.00 57.72 59.03 2axx n HIS 80 Cb 0.41 -2.32 0.66 0.00 -0.12 0.00 0.00 29.99 28.61 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 81 N 4.00 0.00 -0.73 1.57 0.13 -1.91 -1.24 132.00 133.82 2axx h PRO 81 Ca -0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2axx h PRO 81 Cb 1.33 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.36 2axx h PRO 81 CO 0.74 0.00 -0.35 -3.47 -0.23 0.00 0.00 178.00 174.69 2axx n ASP 82 N -4.49 -0.61 -3.21 1.44 2.03 -1.26 -0.84 116.55 109.62 2axx n ASP 82 Ca -0.00 1.28 -0.35 0.00 0.52 0.00 0.00 54.79 56.24 2axx n ASP 82 Cb 0.20 -0.24 -0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2axx n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2axx n ASP 83 N -5.00 6.15 0.00 1.67 2.03 -0.47 -4.45 116.55 116.48 2axx n ASP 83 Ca 0.05 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.65 2axx n ASP 83 Cb 0.25 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2axx n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2axx n ARG 84 N -0.22 0.00 -0.00 -0.67 0.00 -0.02 -4.77 116.66 110.98 2axx n ARG 84 Ca 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.18 2axx n ARG 84 Cb 0.34 -0.38 -0.14 0.00 0.00 0.00 0.00 32.46 32.29 2axx n ARG 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2axx h SER 85 N 0.00 0.02 -2.22 6.15 0.87 -1.73 -3.40 113.55 113.23 2axx h SER 85 Ca 0.00 -0.03 -0.59 0.00 -1.23 0.00 0.00 61.79 59.94 2axx h SER 85 Cb 0.00 -0.01 -0.41 0.00 -0.44 0.00 0.00 62.40 61.54 2axx h SER 85 CO 0.00 1.03 -0.71 0.29 -0.53 0.00 0.00 176.83 176.91 2axx n LYS 86 N -3.12 2.05 -1.91 2.24 5.02 -1.26 -5.08 118.16 116.11 2axx n LYS 86 Ca -0.14 -4.33 -0.42 0.00 -2.02 0.00 0.00 58.31 51.40 2axx n LYS 86 Cb 1.03 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2axx n LYS 86 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2axx s ILE 87 N -2.09 3.29 -0.08 -0.18 -1.09 -1.26 -4.83 121.20 114.95 2axx s ILE 87 Ca 0.38 0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 59.19 2axx s ILE 87 Cb 0.14 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 2axx s ILE 87 CO -0.05 -0.03 -0.19 0.00 -1.23 0.00 0.00 174.94 173.44 2axx n ALA 88 N 6.74 1.88 -3.67 9.38 0.00 -1.26 -5.07 120.51 128.51 2axx n ALA 88 Ca 0.17 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 2axx n ALA 88 Cb 0.42 0.18 0.02 0.00 0.00 0.00 0.00 19.45 20.07 2axx n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2axx n LYS 89 N -3.93 -1.19 -0.11 0.00 4.81 -1.26 -4.91 118.16 111.57 2axx n LYS 89 Ca -0.14 0.66 -0.12 0.00 -0.87 0.00 0.00 58.31 57.83 2axx n LYS 89 Cb 0.41 -3.64 -0.03 0.00 0.02 0.00 0.00 35.03 31.79 2axx n LYS 89 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2axx h PRO 90 N -1.16 0.74 -6.22 1.64 0.13 -2.02 -3.43 132.00 121.68 2axx h PRO 90 Ca -0.56 -0.35 -0.54 0.00 -0.87 0.00 0.00 66.00 63.68 2axx h PRO 90 Cb 1.32 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 2axx h PRO 90 CO 0.42 0.97 -0.58 -1.12 -0.23 0.00 0.00 178.00 177.46 2axx s SER 91 N -6.51 5.16 1.11 1.44 0.01 -1.26 -5.13 113.70 108.52 2axx s SER 91 Ca -0.12 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 2axx s SER 91 Cb 0.09 -1.21 0.25 0.00 0.21 0.00 0.00 66.02 65.37 2axx s SER 91 CO 0.83 0.01 1.06 -1.61 0.41 0.00 0.00 173.24 173.93 2axx s GLU 92 N -3.57 -0.51 0.00 12.44 0.41 -1.26 -5.08 118.70 121.14 2axx s GLU 92 Ca 0.31 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.92 2axx s GLU 92 Cb -0.08 -1.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 2axx s GLU 92 CO 0.22 -3.51 0.00 -2.37 -0.49 0.00 0.00 175.26 169.12 2axx n THR 93 N -4.79 0.00 1.33 3.63 5.66 -1.26 -5.19 114.28 113.66 2axx n THR 93 Ca 0.05 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.18 2axx n THR 93 Cb 0.54 0.00 0.38 0.00 -1.55 0.00 0.00 70.33 69.69 2axx n THR 93 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20