#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 -4.66 0.00 -1.24 5.02 -1.26 -4.21 118.16 111.81 1axx n LYS 2 Ca 0.00 3.47 0.00 0.00 -2.02 0.00 0.00 58.31 59.76 1axx n LYS 2 Cb 0.00 -4.80 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 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 1.69 0.00 0.00 4.39 9.92 -1.26 -4.30 116.55 126.99 1axx n ASP 3 Ca -0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 1axx n ASP 3 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.00 0.00 -2.97 2.53 0.31 -1.26 -5.05 118.33 111.88 1axx n VAL 4 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1axx n VAL 4 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.33 -1.60 5.55 5.02 -1.24 -2.64 118.16 124.59 1axx n LYS 5 Ca 0.00 -3.52 -0.44 0.00 -2.02 0.00 0.00 58.31 52.33 1axx n LYS 5 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 1axx n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1axx n TYR 6 N 0.10 2.02 -4.51 2.13 4.01 -1.26 -2.65 117.16 117.00 1axx n TYR 6 Ca 0.21 -0.13 -0.28 0.00 -0.16 0.00 0.00 57.90 57.55 1axx n TYR 6 Cb 0.69 -2.72 -0.13 0.00 -0.31 0.00 0.00 39.34 36.86 1axx n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1axx s TYR 7 N 7.59 2.12 0.57 -0.72 2.02 -0.35 -4.77 117.35 123.81 1axx s TYR 7 Ca 1.00 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1axx s TYR 7 Cb -0.40 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1axx s TYR 7 CO 0.38 0.23 0.95 0.95 -1.57 0.00 0.00 175.55 176.49 1axx s THR 8 N -0.99 4.77 0.11 -0.71 -4.23 -1.26 -0.56 115.64 112.76 1axx s THR 8 Ca 0.11 0.67 -0.25 0.00 -1.18 0.00 0.00 61.69 61.04 1axx s THR 8 Cb -0.10 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.79 1axx s THR 8 CO 0.04 -1.03 1.67 -0.07 -0.54 0.00 0.00 174.62 174.69 1axx h LEU 9 N -0.09 -0.48 0.13 4.79 -0.00 -1.98 -0.77 115.31 116.91 1axx h LEU 9 Ca -0.45 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1axx h LEU 9 Cb 1.19 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 1axx h LEU 9 CO 0.62 -0.24 -0.14 -0.08 -0.00 0.00 0.00 178.44 178.60 1axx h GLU 10 N -0.31 -0.29 -0.38 1.13 4.81 -1.98 0.21 114.58 117.76 1axx h GLU 10 Ca 0.03 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1axx h GLU 10 Cb 0.35 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 1axx h GLU 10 CO -0.12 -0.20 -0.37 1.49 -0.73 0.00 0.00 179.01 179.09 1axx h GLU 11 N -0.31 -0.29 -0.35 1.92 4.57 -1.87 0.15 114.58 118.40 1axx h GLU 11 Ca 0.01 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1axx h GLU 11 Cb 0.30 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1axx h GLU 11 CO -0.04 -0.19 -0.03 0.82 -1.18 0.00 0.00 179.01 178.39 1axx h ILE 12 N -0.30 1.21 -0.10 2.32 2.04 -0.85 -0.37 117.51 121.47 1axx h ILE 12 Ca 0.15 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1axx h ILE 12 Cb 0.56 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1axx h ILE 12 CO -0.54 0.30 -0.03 -0.61 0.00 0.00 0.00 178.15 177.27 1axx h GLN 13 N 0.53 0.13 0.03 2.37 -0.00 0.13 -2.11 115.11 116.20 1axx h GLN 13 Ca 0.11 -0.02 -0.22 0.00 -0.00 0.00 0.00 58.65 58.53 1axx h GLN 13 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1axx h GLN 13 CO 0.02 0.18 -0.99 0.87 0.00 0.00 0.00 178.83 178.90 1axx h LYS 14 N 0.13 0.15 -5.96 1.69 1.79 0.81 -3.43 116.57 111.75 1axx h LYS 14 Ca 0.03 -0.20 -0.55 0.00 -2.18 0.00 0.00 60.65 57.75 1axx h LYS 14 Cb 0.14 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1axx h LYS 14 CO 0.01 1.02 1.48 -1.01 -1.08 0.00 0.00 179.45 179.86 1axx s HIS 15 N -2.94 1.30 0.00 -1.35 3.76 -0.49 -4.14 115.29 111.42 1axx s HIS 15 Ca -0.02 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1axx s HIS 15 Cb 0.09 -3.90 0.00 0.00 1.11 0.00 0.00 32.58 29.89 1axx s HIS 15 CO 0.84 -3.42 0.00 0.36 -0.85 0.00 0.00 174.74 171.66 1axx n LYS 16 N 8.78 0.00 -1.60 1.40 2.85 -1.25 -3.27 118.16 125.07 1axx n LYS 16 Ca 0.29 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.18 1axx n LYS 16 Cb 0.48 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.91 1axx n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1axx n ASP 17 N -1.03 0.61 0.00 -5.58 8.00 -1.26 -4.22 116.55 113.07 1axx n ASP 17 Ca 0.00 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1axx n ASP 17 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 1axx n ASP 17 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1axx n SER 18 N -0.63 0.00 -1.48 -2.24 7.64 -1.26 -3.39 113.62 112.26 1axx n SER 18 Ca 0.13 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.11 1axx n SER 18 Cb 0.47 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.01 1axx n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1axx n LYS 19 N 3.31 3.36 -1.07 1.43 4.01 -1.26 -4.85 118.16 123.10 1axx n LYS 19 Ca 0.00 -2.68 -0.33 0.00 -0.51 0.00 0.00 58.31 54.79 1axx n LYS 19 Cb 0.00 -1.79 -0.03 0.00 -0.51 0.00 0.00 35.03 32.70 1axx n LYS 19 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1axx n SER 20 N 1.21 4.54 -4.57 4.39 7.64 -1.22 -4.47 113.62 121.15 1axx n SER 20 Ca 0.24 -2.53 -0.35 0.00 1.01 0.00 0.00 58.87 57.24 1axx n SER 20 Cb 0.79 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1axx s THR 21 N 3.72 3.78 0.35 0.44 2.01 -1.26 -3.78 115.64 120.89 1axx s THR 21 Ca 0.50 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1axx s THR 21 Cb 0.13 -4.74 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 1axx s THR 21 CO 0.00 -1.53 0.61 0.26 -0.69 0.00 0.00 174.62 173.28 1axx s TRP 22 N 7.25 3.50 -0.07 4.92 0.52 -1.26 -1.54 118.94 132.26 1axx s TRP 22 Ca 0.58 0.64 -0.17 0.00 0.02 0.00 0.00 56.10 57.18 1axx s TRP 22 Cb -0.01 -2.12 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1axx s TRP 22 CO 0.01 0.06 0.39 0.14 0.02 0.00 0.00 176.95 177.57 1axx s VAL 23 N -2.28 0.03 -0.82 4.03 -7.23 -0.69 -0.06 120.40 113.38 1axx s VAL 23 Ca 0.44 -0.25 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1axx s VAL 23 Cb -0.10 -0.65 0.21 0.00 0.56 0.00 0.00 36.38 36.39 1axx s VAL 23 CO 0.34 -0.14 0.71 0.27 -0.31 0.00 0.00 175.10 175.97 1axx s ILE 24 N -0.77 4.65 -0.13 -0.62 -4.36 -0.77 -0.99 121.20 118.20 1axx s ILE 24 Ca -0.09 -3.18 -0.23 0.00 -0.26 0.00 0.00 60.65 56.90 1axx s ILE 24 Cb -0.04 -3.91 -0.03 0.00 1.25 0.00 0.00 42.46 39.74 1axx s ILE 24 CO 0.04 -1.02 0.70 -0.76 0.24 0.00 0.00 174.94 174.14 1axx s LEU 25 N -0.55 4.23 0.00 0.37 1.43 -0.75 -4.03 118.68 119.38 1axx s LEU 25 Ca 0.22 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1axx s LEU 25 Cb -0.13 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1axx s LEU 25 CO -0.08 -0.22 0.00 1.41 0.23 0.00 0.00 176.35 177.69 1axx n HIS 26 N 4.49 0.00 -2.03 0.29 8.25 -1.26 -1.56 115.22 123.40 1axx n HIS 26 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1axx n HIS 26 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 0.00 0.00 -4.36 4.41 8.25 -1.26 -5.07 115.22 117.19 1axx n HIS 27 Ca 0.00 -0.04 -0.21 0.00 -0.26 0.00 0.00 57.72 57.21 1axx n HIS 27 Cb 0.00 0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 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 0.00 1.00 -0.29 -0.41 3.01 -0.60 -2.68 119.74 119.77 1axx s LYS 28 Ca 0.02 -0.85 -0.15 0.00 -1.01 0.00 0.00 55.97 53.98 1axx s LYS 28 Cb 0.02 -1.05 -0.03 0.00 -1.01 0.00 0.00 37.83 35.77 1axx s LYS 28 CO -0.01 0.26 0.39 0.08 0.51 0.00 0.00 175.35 176.58 1axx s VAL 29 N -0.93 5.15 -0.14 3.17 1.01 0.17 -1.81 120.40 127.02 1axx s VAL 29 Ca 0.02 0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1axx s VAL 29 Cb -0.08 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1axx s VAL 29 CO 0.02 0.07 -0.04 -0.31 0.00 0.00 0.00 175.10 174.84 1axx s TYR 30 N 2.11 3.03 -0.23 5.22 2.02 -0.17 -1.19 117.35 128.14 1axx s TYR 30 Ca 0.15 -0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.51 1axx s TYR 30 Cb -0.16 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1axx s TYR 30 CO 0.11 0.05 0.22 0.34 -1.57 0.00 0.00 175.55 174.70 1axx s ASP 31 N 0.11 6.20 -0.09 2.29 2.15 -0.41 -1.71 116.67 125.22 1axx s ASP 31 Ca -0.01 0.21 0.13 0.00 0.43 0.00 0.00 52.55 53.31 1axx s ASP 31 Cb -0.14 -2.14 0.20 0.00 -0.30 0.00 0.00 42.92 40.54 1axx s ASP 31 CO 0.03 0.03 1.09 0.18 -0.17 0.00 0.00 175.17 176.32 1axx n LEU 32 N 4.35 1.96 -0.22 -1.34 4.77 -0.59 -4.80 117.00 121.13 1axx n LEU 32 Ca -0.13 -2.57 0.03 0.00 -0.03 0.00 0.00 56.01 53.30 1axx n LEU 32 Cb 0.52 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1axx n LEU 32 CO 0.36 0.60 0.87 0.74 -1.33 0.00 0.00 177.39 178.63 1axx h THR 33 N 0.85 0.49 -0.58 -5.08 2.02 -1.78 0.13 112.91 108.97 1axx h THR 33 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1axx h THR 33 Cb 0.95 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1axx h THR 33 CO 0.00 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.21 1axx n LYS 34 N -5.24 4.79 0.00 6.66 5.02 -1.26 -4.04 118.16 124.09 1axx n LYS 34 Ca 0.11 -3.12 0.02 0.00 -2.02 0.00 0.00 58.31 53.30 1axx n LYS 34 Cb 0.39 -2.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.67 0.00 0.08 2.13 7.35 0.38 -4.74 117.46 123.34 1axx n PHE 35 Ca 0.28 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.82 1axx n PHE 35 Cb 1.17 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.92 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 0.42 -1.36 -0.41 -2.13 3.38 -1.49 0.18 115.31 113.91 1axx h LEU 36 Ca 0.00 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1axx h LEU 36 Cb 0.15 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1axx h LEU 36 CO 0.00 -0.49 -0.13 -0.33 0.09 0.00 0.00 178.44 177.58 1axx h GLU 37 N -0.64 0.81 -0.63 1.13 5.08 -1.88 -2.69 114.58 115.77 1axx h GLU 37 Ca 0.03 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1axx h GLU 37 Cb 0.69 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1axx h GLU 37 CO -0.30 0.95 0.36 0.93 -1.00 0.00 0.00 179.01 179.95 1axx h GLU 38 N 0.63 0.67 -6.24 2.33 5.08 -1.73 -3.43 114.58 111.90 1axx h GLU 38 Ca 0.10 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.77 1axx h GLU 38 Cb 0.67 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.78 1axx h GLU 38 CO 0.05 0.44 1.05 1.58 -1.00 0.00 0.00 179.01 181.13 1axx n HIS 39 N -4.77 2.26 -0.10 4.33 -0.00 0.60 -4.85 115.22 112.69 1axx n HIS 39 Ca 0.07 0.13 -0.02 0.00 0.46 0.00 0.00 57.72 58.36 1axx n HIS 39 Cb 0.13 -2.61 0.22 0.00 -0.12 0.00 0.00 29.99 27.61 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 8.74 0.75 0.00 1.57 0.13 -1.90 0.17 132.00 141.46 1axx h PRO 40 Ca -0.48 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1axx h PRO 40 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1axx h PRO 40 CO 0.95 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.82 1axx n GLY 41 N -0.90 -0.99 0.00 1.56 0.00 -1.26 -4.98 105.19 98.63 1axx n GLY 41 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.32 1.08 0.07 -0.02 0.00 0.58 -4.64 105.19 101.95 1axx n GLY 42 Ca 0.02 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.01 -0.20 1.61 4.22 -1.71 -3.37 114.58 115.12 1axx h GLU 43 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1axx h GLU 43 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1axx h GLU 43 CO 0.00 0.86 -0.08 1.49 -2.18 0.00 0.00 179.01 179.09 1axx h GLU 44 N -0.96 -0.05 -0.90 1.92 4.81 -1.88 0.28 114.58 117.80 1axx h GLU 44 Ca -0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1axx h GLU 44 Cb 0.86 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 1axx h GLU 44 CO 0.00 -0.03 0.59 -0.39 -0.73 0.00 0.00 179.01 178.45 1axx h VAL 45 N -0.05 0.70 -0.07 0.32 -1.51 -1.82 0.53 116.25 114.35 1axx h VAL 45 Ca 0.11 -0.16 -0.19 0.00 -1.23 0.00 0.00 66.70 65.23 1axx h VAL 45 Cb 0.21 0.20 0.01 0.00 -2.13 0.00 0.00 31.29 29.59 1axx h VAL 45 CO -0.24 0.08 -0.70 -0.07 -1.23 0.00 0.00 177.57 175.42 1axx h LEU 46 N 0.46 0.74 -0.16 4.19 -0.00 -0.73 -3.30 115.31 116.51 1axx h LEU 46 Ca 0.47 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1axx h LEU 46 Cb 1.09 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1axx h LEU 46 CO -0.19 1.31 -0.06 -1.14 -0.00 0.00 0.00 178.44 178.36 1axx n ARG 47 N -4.08 0.69 0.08 1.13 0.00 0.20 -3.51 116.66 111.17 1axx n ARG 47 Ca -0.09 -0.16 -0.16 0.00 -0.00 0.00 0.00 57.85 57.45 1axx n ARG 47 Cb 0.71 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.58 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 0.38 -0.67 0.00 -0.14 4.39 -0.15 -3.37 114.58 115.03 1axx h GLU 48 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1axx h GLU 48 Cb 0.29 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1axx h GLU 48 CO 0.00 -0.45 -0.50 1.04 -1.16 0.00 0.00 179.01 177.94 1axx n GLN 49 N -5.47 0.27 -1.26 2.33 1.13 -1.26 -5.12 117.38 108.00 1axx n GLN 49 Ca -0.08 0.14 0.16 0.00 -1.94 0.00 0.00 57.00 55.28 1axx n GLN 49 Cb 0.40 -1.01 -0.05 0.00 0.11 0.00 0.00 30.24 29.68 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 -3.47 -3.49 -3.68 -1.58 0.00 -1.23 -4.87 120.51 102.19 1axx n ALA 50 Ca -0.07 0.51 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 1axx n ALA 50 Cb 0.26 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.80 -0.66 0.00 0.00 0.00 0.91 -4.81 105.19 96.82 1axx n GLY 51 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.48 1.59 3.36 -0.02 0.00 -1.26 -4.09 105.19 103.29 1axx n GLY 52 Ca -0.13 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1axx n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1axx n ASP 53 N 0.00 2.43 0.00 1.61 5.75 -1.26 -1.85 116.55 123.23 1axx n ASP 53 Ca 0.00 -2.65 0.07 0.00 -0.01 0.00 0.00 54.79 52.20 1axx n ASP 53 Cb 0.00 -1.31 0.39 0.00 -1.03 0.00 0.00 41.12 39.16 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1axx n ALA 54 N 11.20 1.88 -0.34 2.12 0.00 -1.26 -3.39 120.51 130.72 1axx n ALA 54 Ca 0.47 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1axx n ALA 54 Cb 0.43 -1.24 0.17 0.00 0.00 0.00 0.00 19.45 18.81 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 0.04 -0.54 0.00 2.02 -1.84 0.19 112.91 112.78 1axx h THR 55 Ca 0.00 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1axx h THR 55 Cb 0.11 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 66.45 1axx h THR 55 CO 0.00 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.41 1axx h GLU 56 N 0.01 -0.02 -0.22 6.66 5.08 -1.95 0.25 114.58 124.39 1axx h GLU 56 Ca 0.49 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.76 1axx h GLU 56 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1axx h GLU 56 CO -0.96 -0.01 -0.23 -0.97 -1.00 0.00 0.00 179.01 175.83 1axx h ASN 57 N -0.02 0.59 -0.64 1.42 -0.73 -1.04 0.14 115.58 115.30 1axx h ASN 57 Ca 0.26 -0.48 0.10 0.00 1.87 0.00 0.00 56.30 58.05 1axx h ASN 57 Cb 0.42 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.76 1axx h ASN 57 CO -0.57 0.95 0.24 0.15 -0.37 0.00 0.00 177.43 177.83 1axx h PHE 58 N 0.24 0.41 0.00 0.67 3.57 -0.13 -2.65 116.94 119.05 1axx h PHE 58 Ca 0.03 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 1axx h PHE 58 Cb 0.79 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1axx h PHE 58 CO 0.08 0.09 -1.08 0.93 -2.23 0.00 0.00 178.31 176.10 1axx h GLU 59 N 0.41 0.00 -0.94 1.11 4.39 -0.43 0.34 114.58 119.46 1axx h GLU 59 Ca 0.33 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.26 1axx h GLU 59 Cb 0.43 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 1axx h GLU 59 CO -0.33 0.88 0.47 0.22 -1.16 0.00 0.00 179.01 179.09 1axx h ASP 60 N 0.00 0.47 0.42 1.42 3.58 -0.35 -1.01 116.42 120.95 1axx h ASP 60 Ca -0.05 0.15 -0.31 0.00 0.42 0.00 0.00 57.03 57.24 1axx h ASP 60 Cb 1.78 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.88 1axx h ASP 60 CO 0.12 0.04 -1.73 0.58 -2.88 0.00 0.00 179.24 175.37 1axx h VAL 61 N 0.47 0.86 0.00 2.25 2.07 -1.48 -3.49 116.25 116.93 1axx h VAL 61 Ca 0.59 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1axx h VAL 61 Cb 1.12 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1axx h VAL 61 CO -0.50 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1axx n GLY 62 N 1.66 2.32 1.00 2.17 0.00 0.12 -4.91 105.19 107.55 1axx n GLY 62 Ca -0.20 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 -2.70 1.61 8.25 -1.25 -4.71 115.22 113.72 1axx n HIS 63 Ca 0.00 1.50 -0.31 0.00 -0.26 0.00 0.00 57.72 58.65 1axx n HIS 63 Cb 0.00 -2.46 -0.03 0.00 1.12 0.00 0.00 29.99 28.62 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 -6.22 6.55 0.33 0.41 0.01 -1.26 -4.98 113.70 108.54 1axx s SER 64 Ca 0.00 1.27 0.07 0.00 1.31 0.00 0.00 55.95 58.60 1axx s SER 64 Cb 0.00 -2.38 0.75 0.00 0.21 0.00 0.00 66.02 64.59 1axx s SER 64 CO 0.00 -0.46 1.84 0.74 0.41 0.00 0.00 173.24 175.77 1axx h THR 65 N 1.02 0.82 -0.82 1.44 2.02 -2.00 0.11 112.91 115.50 1axx h THR 65 Ca -0.47 -0.27 0.19 0.00 0.77 0.00 0.00 66.41 66.64 1axx h THR 65 Cb 1.19 -0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 1axx h THR 65 CO 0.63 0.14 0.26 -0.78 0.37 0.00 0.00 175.52 176.14 1axx h ASP 66 N 0.77 0.12 -0.72 4.18 3.58 -2.00 0.14 116.42 122.49 1axx h ASP 66 Ca 0.49 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 58.06 1axx h ASP 66 Cb 0.72 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 1axx h ASP 66 CO -0.25 -0.04 0.31 0.00 -2.88 0.00 0.00 179.24 176.38 1axx h ALA 67 N 1.68 0.94 -0.16 -0.78 0.00 -1.16 -0.38 119.26 119.40 1axx h ALA 67 Ca 0.49 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1axx h ALA 67 Cb 0.90 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1axx h ALA 67 CO -0.54 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.11 1axx h ARG 68 N 1.03 -0.13 -0.56 0.00 2.47 -0.59 0.34 114.38 116.93 1axx h ARG 68 Ca 0.24 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1axx h ARG 68 Cb 0.17 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1axx h ARG 68 CO -0.02 -0.09 0.29 0.93 0.56 0.00 0.00 179.97 181.64 1axx h GLU 69 N -0.14 0.79 -0.81 0.04 5.08 -1.18 -2.30 114.58 116.06 1axx h GLU 69 Ca 0.10 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1axx h GLU 69 Cb 0.29 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1axx h GLU 69 CO -0.24 0.62 0.53 1.25 -1.00 0.00 0.00 179.01 180.17 1axx h LEU 70 N 0.76 0.83 -0.58 1.33 5.85 -0.32 -0.38 115.31 122.79 1axx h LEU 70 Ca 0.20 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.02 1axx h LEU 70 Cb 0.07 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1axx h LEU 70 CO -0.03 0.56 0.11 0.28 -0.34 0.00 0.00 178.44 179.02 1axx h SER 71 N 0.95 -0.03 -0.71 1.25 0.02 0.21 -1.58 113.55 113.66 1axx h SER 71 Ca 0.33 0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.52 1axx h SER 71 Cb 0.11 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.72 1axx h SER 71 CO -0.11 -0.00 0.27 0.11 -1.14 0.00 0.00 176.83 175.96 1axx h LYS 72 N 0.24 0.42 -0.07 3.45 1.79 -0.76 0.31 116.57 121.95 1axx h LYS 72 Ca 0.31 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1axx h LYS 72 Cb 0.46 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1axx h LYS 72 CO -0.41 0.28 0.06 1.15 -1.08 0.00 0.00 179.45 179.45 1axx h THR 73 N 0.43 0.65 -0.29 -0.16 2.02 -1.16 -1.84 112.91 112.56 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 0.55 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1axx h THR 73 CO -0.38 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.29 1axx n TYR 74 N -4.05 0.36 -2.23 3.16 4.01 0.91 -4.96 117.16 114.36 1axx n TYR 74 Ca -0.01 -0.20 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 1axx n TYR 74 Cb 0.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.52 3.69 -0.20 -0.72 2.07 -0.10 -1.28 121.20 123.13 1axx s ILE 75 Ca 0.34 1.10 0.05 0.00 -1.41 0.00 0.00 60.65 60.73 1axx s ILE 75 Cb 0.21 -3.71 -0.15 0.00 0.13 0.00 0.00 42.46 38.93 1axx s ILE 75 CO 0.29 0.01 -0.13 2.30 -1.91 0.00 0.00 174.94 175.50 1axx n ILE 76 N 4.52 1.21 -2.94 2.00 -5.35 -0.33 -4.91 119.36 113.56 1axx n ILE 76 Ca 0.13 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1axx n ILE 76 Cb 0.44 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.23 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 2.37 1.83 3.33 3.28 0.00 -1.11 -3.65 105.19 111.23 1axx n GLY 77 Ca -0.35 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.03 1.55 0.04 1.61 2.02 -1.08 -0.66 118.70 121.15 1axx s GLU 78 Ca 0.00 -1.87 -0.30 0.00 0.02 0.00 0.00 54.97 52.81 1axx s GLU 78 Cb 0.00 -0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.06 1axx s GLU 78 CO 0.00 -0.42 1.15 -0.51 0.02 0.00 0.00 175.26 175.50 1axx s LEU 79 N -3.36 4.37 0.22 1.80 2.01 -1.09 -1.21 118.68 121.42 1axx s LEU 79 Ca 0.36 1.93 -0.32 0.00 0.01 0.00 0.00 54.13 56.11 1axx s LEU 79 Cb 0.06 -3.58 -0.14 0.00 0.01 0.00 0.00 46.19 42.54 1axx s LEU 79 CO 0.17 -0.43 1.40 1.57 1.01 0.00 0.00 176.35 180.07 1axx n HIS 80 N 3.97 2.07 0.11 0.29 -0.00 0.27 -4.78 115.22 117.15 1axx n HIS 80 Ca 0.08 0.44 0.16 0.00 0.46 0.00 0.00 57.72 58.87 1axx n HIS 80 Cb 0.47 -2.45 0.70 0.00 -0.12 0.00 0.00 29.99 28.60 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1axx h PRO 81 N 4.34 0.00 -0.95 1.57 0.13 -1.92 -2.40 132.00 132.76 1axx h PRO 81 Ca -0.45 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.87 1axx h PRO 81 Cb 1.28 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.23 1axx h PRO 81 CO 0.77 0.00 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.84 1axx h ASP 82 N 0.00 -0.95 1.10 1.44 3.32 -1.99 0.14 116.42 119.48 1axx h ASP 82 Ca 0.15 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1axx h ASP 82 Cb 0.65 0.61 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1axx h ASP 82 CO -0.00 -0.31 -0.83 -0.78 -1.72 0.00 0.00 179.24 175.60 1axx h ASP 83 N -0.00 0.00 -0.48 6.45 1.82 -1.77 -3.38 116.42 119.05 1axx h ASP 83 Ca 0.44 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 57.01 1axx h ASP 83 Cb 0.68 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 1axx h ASP 83 CO -0.97 0.02 0.14 -0.09 -1.61 0.00 0.00 179.24 176.72 1axx h ARG 84 N 0.00 0.76 -0.93 0.28 2.43 -0.65 -0.28 114.38 115.99 1axx h ARG 84 Ca 0.00 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1axx h ARG 84 Cb 0.96 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 1axx h ARG 84 CO 0.00 0.73 0.60 1.03 -1.51 0.00 0.00 179.97 180.82 1axx h SER 85 N 0.65 0.97 -2.12 -3.80 0.87 -1.59 -3.30 113.55 105.24 1axx h SER 85 Ca 0.15 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.14 1axx h SER 85 Cb 0.30 -0.21 -0.40 0.00 -0.44 0.00 0.00 62.40 61.65 1axx h SER 85 CO -0.00 0.64 -0.94 1.17 -0.53 0.00 0.00 176.83 177.18 1axx n LYS 86 N -4.53 1.22 -1.48 2.24 4.81 -1.02 -5.09 118.16 114.30 1axx n LYS 86 Ca 0.13 -3.67 -0.62 0.00 -0.87 0.00 0.00 58.31 53.29 1axx n LYS 86 Cb 0.14 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.50 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 1.39 0.04 -0.02 3.15 5.41 -0.14 -4.87 119.36 124.32 1axx n ILE 87 Ca 0.24 -0.03 -0.12 0.00 1.00 0.00 0.00 62.75 63.85 1axx n ILE 87 Cb 0.49 -0.66 -0.10 0.00 -0.71 0.00 0.00 39.64 38.66 1axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1axx h ALA 88 N 7.79 -0.07 -5.82 -1.39 0.00 -1.96 -3.50 119.26 114.31 1axx h ALA 88 Ca -0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1axx h ALA 88 Cb 1.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1axx h ALA 88 CO 1.04 -0.15 -0.99 1.17 0.00 0.00 0.00 179.25 180.31 1axx n LYS 89 N -4.78 -1.82 -0.98 0.00 0.00 -1.26 -4.99 118.16 104.32 1axx n LYS 89 Ca -0.08 1.72 -0.30 0.00 0.00 0.00 0.00 58.31 59.65 1axx n LYS 89 Cb 0.32 -3.12 0.25 0.00 0.00 0.00 0.00 35.03 32.48 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 -1.44 -1.43 -0.18 1.64 0.04 -1.26 -5.06 135.00 127.31 1axx s PRO 90 Ca 0.04 -0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.06 1axx s PRO 90 Cb -0.01 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 33.00 1axx s PRO 90 CO 0.42 -3.86 -0.11 -1.12 0.04 0.00 0.00 177.00 172.37 1axx s SER 91 N -3.77 3.13 0.15 6.66 0.01 -1.26 -5.04 113.70 113.58 1axx s SER 91 Ca 0.70 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1axx s SER 91 Cb -0.10 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 64.96 1axx s SER 91 CO 0.56 -0.12 0.17 -0.62 0.41 0.00 0.00 173.24 173.64 1axx n GLU 92 N 4.73 1.08 -1.06 12.44 -0.58 -1.26 -5.13 120.64 130.85 1axx n GLU 92 Ca -0.15 -0.89 -0.30 0.00 -0.42 0.00 0.00 57.16 55.41 1axx n GLU 92 Cb 0.48 0.01 0.23 0.00 -0.57 0.00 0.00 31.44 31.59 1axx n GLU 92 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1axx s THR 93 N -0.34 1.70 -2.00 2.62 -4.23 -1.26 -5.22 115.64 106.92 1axx s THR 93 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1axx s THR 93 Cb -0.01 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1axx s THR 93 CO 0.08 0.00 0.50 -0.11 -0.54 0.00 0.00 174.62 174.55