#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 1.12 -1.13 -0.67 2.85 -1.26 -5.13 118.16 113.94 1axx n LYS 2 Ca 0.00 -1.61 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 1axx n LYS 2 Cb 0.00 0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 1axx n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1axx n ASP 3 N -0.72 0.00 0.00 -5.58 -0.08 -1.26 -5.15 116.55 103.76 1axx n ASP 3 Ca -0.07 -0.89 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 1axx n ASP 3 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1axx n VAL 4 N 0.00 0.00 -3.18 5.18 0.31 -1.26 -4.99 118.33 114.39 1axx n VAL 4 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1axx n VAL 4 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.91 -2.07 5.55 4.01 -1.26 -4.98 118.16 120.32 1axx n LYS 5 Ca 0.00 -3.31 -0.43 0.00 -0.51 0.00 0.00 58.31 54.06 1axx n LYS 5 Cb 0.00 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 32.91 1axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1axx s TYR 6 N -2.09 2.01 0.08 2.13 2.02 -1.26 -1.03 117.35 119.20 1axx s TYR 6 Ca 0.39 0.53 0.10 0.00 -0.37 0.00 0.00 57.07 57.72 1axx s TYR 6 Cb 0.31 -4.03 -0.03 0.00 -0.40 0.00 0.00 41.96 37.81 1axx s TYR 6 CO -0.09 -3.02 -0.26 0.71 -1.57 0.00 0.00 175.55 171.32 1axx s TYR 7 N 5.58 2.27 0.52 2.71 2.02 0.25 -4.75 117.35 125.95 1axx s TYR 7 Ca 0.74 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.98 1axx s TYR 7 Cb -0.25 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1axx s TYR 7 CO 0.31 0.20 0.84 0.95 -1.57 0.00 0.00 175.55 176.27 1axx s THR 8 N -0.90 4.60 0.11 -0.71 -4.23 -1.26 -0.39 115.64 112.85 1axx s THR 8 Ca 0.12 0.22 -0.33 0.00 -1.18 0.00 0.00 61.69 60.52 1axx s THR 8 Cb -0.10 -3.77 -0.12 0.00 1.34 0.00 0.00 72.50 69.85 1axx s THR 8 CO 0.03 -0.79 1.56 -0.07 -0.54 0.00 0.00 174.62 174.82 1axx h LEU 9 N 0.08 -1.53 -0.64 4.79 -0.00 -1.99 -0.30 115.31 115.72 1axx h LEU 9 Ca -0.46 0.17 0.06 0.00 -0.00 0.00 0.00 57.88 57.65 1axx h LEU 9 Cb 1.22 0.58 -0.06 0.00 -0.00 0.00 0.00 40.66 42.40 1axx h LEU 9 CO 0.61 -0.52 0.33 -0.08 -0.00 0.00 0.00 178.44 178.78 1axx h GLU 10 N -0.68 0.59 0.25 1.13 4.57 -1.97 0.31 114.58 118.78 1axx h GLU 10 Ca 0.02 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1axx h GLU 10 Cb 0.72 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1axx h GLU 10 CO -0.32 0.39 -0.37 1.49 -1.18 0.00 0.00 179.01 179.02 1axx h GLU 11 N 0.61 -0.67 -0.46 1.92 4.81 -1.86 -0.33 114.58 118.60 1axx h GLU 11 Ca 0.29 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1axx h GLU 11 Cb 0.22 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1axx h GLU 11 CO -0.20 -0.44 0.26 0.82 -0.73 0.00 0.00 179.01 178.71 1axx h ILE 12 N -0.69 1.14 0.00 2.32 2.04 -0.36 -0.47 117.51 121.50 1axx h ILE 12 Ca -0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1axx h ILE 12 Cb 0.66 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1axx h ILE 12 CO -0.14 0.16 -0.18 -0.61 0.00 0.00 0.00 178.15 177.38 1axx h GLN 13 N 0.64 0.00 0.08 2.37 -0.00 0.22 -1.60 115.11 116.82 1axx h GLN 13 Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.56 1axx h GLN 13 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 1axx h GLN 13 CO -0.03 0.18 -1.13 0.87 0.00 0.00 0.00 178.83 178.72 1axx h LYS 14 N 0.00 0.27 -5.14 1.69 1.79 0.51 -3.39 116.57 112.29 1axx h LYS 14 Ca -0.00 -0.40 -0.34 0.00 -2.18 0.00 0.00 60.65 57.73 1axx h LYS 14 Cb 0.32 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1axx h LYS 14 CO 0.02 1.15 1.08 0.72 -1.08 0.00 0.00 179.45 181.35 1axx n HIS 15 N -3.57 1.85 -2.70 -1.35 8.25 -0.60 -4.29 115.22 112.81 1axx n HIS 15 Ca -0.07 -1.12 -0.06 0.00 -0.26 0.00 0.00 57.72 56.22 1axx n HIS 15 Cb 0.96 -2.25 0.10 0.00 1.12 0.00 0.00 29.99 29.91 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 7.98 1.27 -1.28 -0.41 2.85 -1.26 -3.62 118.16 123.69 1axx n LYS 16 Ca 0.45 -2.17 -0.29 0.00 -1.05 0.00 0.00 58.31 55.25 1axx n LYS 16 Cb 0.45 -0.36 0.16 0.00 -0.65 0.00 0.00 35.03 34.63 1axx n LYS 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1axx s ASP 17 N -1.86 2.99 -0.10 -5.58 -1.08 -1.06 -4.88 116.67 105.10 1axx s ASP 17 Ca 0.21 1.16 -0.04 0.00 -0.52 0.00 0.00 52.55 53.36 1axx s ASP 17 Cb 0.42 -1.81 -0.12 0.00 -1.46 0.00 0.00 42.92 39.95 1axx s ASP 17 CO -0.06 -2.90 3.02 -0.24 0.52 0.00 0.00 175.17 175.51 1axx n SER 18 N -4.02 5.57 0.08 -0.34 2.88 -1.26 -3.53 113.62 113.01 1axx n SER 18 Ca 0.06 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1axx n SER 18 Cb 0.58 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1axx n LYS 19 N 1.85 0.00 -2.94 -1.46 4.81 -1.26 -5.06 118.16 114.10 1axx n LYS 19 Ca 0.34 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.34 1axx n LYS 19 Cb 0.74 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.77 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1axx s SER 20 N -1.65 6.54 -0.33 3.14 0.15 -1.23 -4.68 113.70 115.64 1axx s SER 20 Ca 0.00 -1.87 -0.16 0.00 0.70 0.00 0.00 55.95 54.62 1axx s SER 20 Cb 0.00 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1axx s SER 20 CO 0.00 -1.11 0.43 -0.89 1.20 0.00 0.00 173.24 172.87 1axx s THR 21 N 2.82 5.10 0.30 6.45 2.01 -1.26 -2.57 115.64 128.49 1axx s THR 21 Ca 0.29 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.66 1axx s THR 21 Cb -0.08 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1axx s THR 21 CO -0.06 -0.09 0.20 0.26 -0.69 0.00 0.00 174.62 174.24 1axx s TRP 22 N 2.19 2.92 0.08 4.92 0.52 -1.24 -1.58 118.94 126.75 1axx s TRP 22 Ca 0.15 -0.23 -0.18 0.00 0.02 0.00 0.00 56.10 55.86 1axx s TRP 22 Cb -0.16 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.65 1axx s TRP 22 CO 0.12 0.39 0.44 0.14 0.02 0.00 0.00 176.95 178.06 1axx s VAL 23 N -2.26 0.05 -0.22 4.03 -7.23 -0.85 -0.22 120.40 113.70 1axx s VAL 23 Ca 0.36 -0.44 -0.02 0.00 -1.81 0.00 0.00 61.98 60.08 1axx s VAL 23 Cb -0.06 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1axx s VAL 23 CO 0.24 -0.24 -0.08 0.27 -0.31 0.00 0.00 175.10 174.98 1axx s ILE 24 N -3.06 2.88 -0.26 -0.62 -4.36 -1.13 -0.88 121.20 113.77 1axx s ILE 24 Ca -0.02 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 1axx s ILE 24 Cb 0.00 -2.36 0.06 0.00 1.25 0.00 0.00 42.46 41.41 1axx s ILE 24 CO -0.07 0.34 -0.10 -0.76 0.24 0.00 0.00 174.94 174.60 1axx s LEU 25 N 1.37 3.49 -1.01 0.37 1.43 0.13 -2.91 118.68 121.56 1axx s LEU 25 Ca 0.03 -1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 51.64 1axx s LEU 25 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1axx s LEU 25 CO -0.06 -0.20 0.83 1.41 0.23 0.00 0.00 176.35 178.56 1axx n HIS 26 N 4.44 -2.37 -3.94 0.29 8.25 -1.26 -3.28 115.22 117.35 1axx n HIS 26 Ca -0.14 0.78 -0.29 0.00 -0.26 0.00 0.00 57.72 57.82 1axx n HIS 26 Cb 0.42 -3.85 0.01 0.00 1.12 0.00 0.00 29.99 27.69 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 -3.23 -2.02 -3.69 4.41 8.25 -1.26 -4.97 115.22 112.70 1axx n HIS 27 Ca -0.08 0.85 -0.11 0.00 -0.26 0.00 0.00 57.72 58.13 1axx n HIS 27 Cb 0.59 -3.82 -0.11 0.00 1.12 0.00 0.00 29.99 27.77 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 -6.55 0.33 -0.19 -0.41 1.02 -1.20 -3.59 119.74 109.14 1axx s LYS 28 Ca 0.45 0.78 -0.15 0.00 0.02 0.00 0.00 55.97 57.08 1axx s LYS 28 Cb -0.23 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.05 1axx s LYS 28 CO 0.86 -0.18 0.34 0.08 -0.92 0.00 0.00 175.35 175.52 1axx s VAL 29 N 1.66 5.25 -0.08 3.17 1.01 0.15 -0.69 120.40 130.87 1axx s VAL 29 Ca -0.07 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1axx s VAL 29 Cb -0.10 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1axx s VAL 29 CO -0.12 0.31 -0.16 -0.31 0.00 0.00 0.00 175.10 174.82 1axx s TYR 30 N 0.99 2.69 -0.36 5.22 2.02 -0.06 -1.27 117.35 126.58 1axx s TYR 30 Ca 0.17 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.29 1axx s TYR 30 Cb -0.14 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1axx s TYR 30 CO 0.06 -0.03 0.35 0.34 -1.57 0.00 0.00 175.55 174.70 1axx s ASP 31 N -0.25 6.16 -0.19 2.29 -1.08 -0.33 -2.00 116.67 121.27 1axx s ASP 31 Ca 0.01 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 51.83 1axx s ASP 31 Cb -0.13 -2.19 0.55 0.00 -1.46 0.00 0.00 42.92 39.69 1axx s ASP 31 CO 0.03 -0.36 1.45 0.18 0.52 0.00 0.00 175.17 176.99 1axx n LEU 32 N 5.35 4.05 -0.09 -1.34 4.77 -0.61 -4.74 117.00 124.39 1axx n LEU 32 Ca -0.10 -3.06 -0.06 0.00 -0.03 0.00 0.00 56.01 52.76 1axx n LEU 32 Cb 0.49 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1axx n LEU 32 CO 0.40 0.70 0.72 0.74 -1.33 0.00 0.00 177.39 178.62 1axx h THR 33 N 1.90 0.42 -0.39 -5.08 2.02 -1.81 0.16 112.91 110.14 1axx h THR 33 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1axx h THR 33 Cb 1.51 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1axx h THR 33 CO 0.26 0.00 0.04 0.29 0.37 0.00 0.00 175.52 176.48 1axx n LYS 34 N -5.37 3.31 0.00 6.66 5.02 -1.26 -3.76 118.16 122.75 1axx n LYS 34 Ca 0.01 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 1axx n LYS 34 Cb 0.28 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.30 0.00 0.08 2.13 7.35 0.42 -4.69 117.46 123.05 1axx n PHE 35 Ca 0.20 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.77 1axx n PHE 35 Cb 0.90 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.66 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 0.00 -1.13 0.03 -2.13 3.38 -1.24 0.23 115.31 114.45 1axx h LEU 36 Ca 0.00 0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1axx h LEU 36 Cb 0.06 0.42 0.02 0.00 0.09 0.00 0.00 40.66 41.25 1axx h LEU 36 CO 0.00 -0.40 -1.10 -0.08 0.09 0.00 0.00 178.44 176.96 1axx h GLU 37 N -0.53 0.68 -0.92 1.13 4.81 -1.88 -2.53 114.58 115.33 1axx h GLU 37 Ca -0.00 -0.78 0.13 0.00 -0.13 0.00 0.00 59.36 58.58 1axx h GLU 37 Cb 0.54 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 1axx h GLU 37 CO -0.21 1.34 0.59 0.93 -0.73 0.00 0.00 179.01 180.94 1axx h GLU 38 N 0.36 0.78 -6.09 1.92 4.39 -1.81 -3.43 114.58 110.70 1axx h GLU 38 Ca -0.15 -0.05 -0.71 0.00 0.34 0.00 0.00 59.36 58.80 1axx h GLU 38 Cb 1.76 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1axx h GLU 38 CO 0.21 0.52 1.11 1.58 -1.16 0.00 0.00 179.01 181.28 1axx n HIS 39 N -4.58 1.87 -2.09 4.33 -0.00 0.80 -4.80 115.22 110.76 1axx n HIS 39 Ca 0.18 0.43 -0.29 0.00 0.46 0.00 0.00 57.72 58.50 1axx n HIS 39 Cb 0.41 -2.49 -0.06 0.00 -0.12 0.00 0.00 29.99 27.74 1axx n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1axx s PRO 40 N 4.63 2.55 0.00 1.57 0.04 -1.26 -0.74 135.00 141.79 1axx s PRO 40 Ca 1.03 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1axx s PRO 40 Cb -1.01 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 28.29 1axx s PRO 40 CO 0.60 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 174.18 1axx n GLY 41 N 5.90 0.86 0.00 0.56 0.00 -1.26 -5.16 105.19 106.09 1axx n GLY 41 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axx n GLY 42 N 0.00 2.40 0.10 -0.02 0.00 0.08 -4.86 105.19 102.90 1axx n GLY 42 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 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 0.04 -0.28 1.61 4.81 -1.73 -3.37 114.58 115.66 1axx h GLU 43 Ca 0.00 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1axx h GLU 43 Cb 0.00 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1axx h GLU 43 CO 0.00 1.03 -0.04 1.49 -0.73 0.00 0.00 179.01 180.76 1axx h GLU 44 N -0.88 0.03 -0.88 1.92 4.81 -1.92 0.48 114.58 118.14 1axx h GLU 44 Ca -0.28 -0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.19 1axx h GLU 44 Cb 1.32 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1axx h GLU 44 CO -0.13 0.02 0.62 -0.39 -0.73 0.00 0.00 179.01 178.40 1axx h VAL 45 N 0.03 0.59 0.14 0.32 -1.51 -1.89 0.49 116.25 114.42 1axx h VAL 45 Ca 0.13 -0.04 -0.28 0.00 -1.23 0.00 0.00 66.70 65.28 1axx h VAL 45 Cb 0.19 0.46 0.03 0.00 -2.13 0.00 0.00 31.29 29.84 1axx h VAL 45 CO -0.26 0.02 -1.19 -0.07 -1.23 0.00 0.00 177.57 174.84 1axx h LEU 46 N 0.12 0.81 -0.67 4.19 -0.00 -0.39 -3.32 115.31 116.05 1axx h LEU 46 Ca 0.43 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1axx h LEU 46 Cb 1.52 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1axx h LEU 46 CO -0.06 1.58 0.00 -1.14 -0.00 0.00 0.00 178.44 178.82 1axx n ARG 47 N -3.86 1.43 0.38 1.13 0.00 0.56 -3.92 116.66 112.39 1axx n ARG 47 Ca -0.14 -0.66 -0.18 0.00 -0.00 0.00 0.00 57.85 56.86 1axx n ARG 47 Cb 0.96 -1.24 -0.09 0.00 0.00 0.00 0.00 32.46 32.09 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 1.19 -0.96 0.00 -0.14 4.39 -0.28 -3.39 114.58 115.38 1axx h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1axx h GLU 48 Cb 0.27 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1axx h GLU 48 CO 0.00 -0.64 -0.27 1.04 -1.16 0.00 0.00 179.01 177.98 1axx n GLN 49 N -5.53 0.15 -1.48 2.33 1.13 -1.26 -5.11 117.38 107.61 1axx n GLN 49 Ca -0.14 0.10 0.17 0.00 -1.94 0.00 0.00 57.00 55.19 1axx n GLN 49 Cb 0.42 -0.81 -0.09 0.00 0.11 0.00 0.00 30.24 29.87 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 -3.00 -3.74 -4.27 -1.58 0.00 -1.25 -4.85 120.51 101.81 1axx n ALA 50 Ca -0.04 0.94 -0.33 0.00 0.00 0.00 0.00 53.44 54.01 1axx n ALA 50 Cb 0.14 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 1axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1axx n GLY 51 N -4.27 -0.24 3.59 0.00 0.00 0.69 -4.84 105.19 100.12 1axx n GLY 51 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1axx s GLY 52 N -4.01 -0.43 -0.95 -0.02 0.00 -1.26 -3.52 107.32 97.13 1axx s GLY 52 Ca 0.27 0.93 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 1axx s GLY 52 CO 0.97 0.20 1.99 1.22 0.00 0.00 0.00 173.10 177.48 1axx n ASP 53 N -0.44 1.78 0.00 1.64 9.92 -1.26 -2.83 116.55 125.36 1axx n ASP 53 Ca -0.08 -2.55 0.11 0.00 -0.53 0.00 0.00 54.79 51.74 1axx n ASP 53 Cb 0.63 -1.54 0.56 0.00 -0.64 0.00 0.00 41.12 40.13 1axx n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1axx n ALA 54 N 16.53 2.15 -0.27 2.24 0.00 -1.14 -3.64 120.51 136.38 1axx n ALA 54 Ca 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 1axx n ALA 54 Cb 0.46 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 0.15 -0.75 0.00 2.02 -1.84 0.51 112.91 113.00 1axx h THR 55 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1axx h THR 55 Cb 0.22 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 66.64 1axx h THR 55 CO 0.00 0.00 -0.35 -0.33 0.37 0.00 0.00 175.52 175.21 1axx h GLU 56 N -0.07 -0.09 -0.17 6.66 5.08 -1.94 0.25 114.58 124.31 1axx h GLU 56 Ca 0.32 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1axx h GLU 56 Cb 0.57 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1axx h GLU 56 CO -0.80 -0.06 -0.63 -0.97 -1.00 0.00 0.00 179.01 175.55 1axx h ASN 57 N -0.10 0.84 -0.55 1.42 -0.00 -1.44 0.13 115.58 115.88 1axx h ASN 57 Ca 0.28 -0.61 0.03 0.00 -0.00 0.00 0.00 56.30 56.00 1axx h ASN 57 Cb 0.57 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.60 1axx h ASN 57 CO -0.80 1.31 0.32 0.15 -0.00 0.00 0.00 177.43 178.41 1axx h PHE 58 N 0.42 0.59 0.01 0.67 3.57 -0.24 -2.81 116.94 119.16 1axx h PHE 58 Ca -0.03 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1axx h PHE 58 Cb 1.26 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1axx h PHE 58 CO 0.09 0.33 -0.88 0.93 -2.23 0.00 0.00 178.31 176.55 1axx h GLU 59 N 0.63 0.06 -0.83 1.11 4.39 -0.49 0.27 114.58 119.72 1axx h GLU 59 Ca 0.23 -0.08 0.18 0.00 0.34 0.00 0.00 59.36 60.03 1axx h GLU 59 Cb 0.05 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.62 1axx h GLU 59 CO -0.11 0.90 0.34 0.22 -1.16 0.00 0.00 179.01 179.19 1axx h ASP 60 N 0.03 0.29 0.67 1.42 3.58 -0.49 -0.37 116.42 121.56 1axx h ASP 60 Ca -0.02 0.13 -0.26 0.00 0.42 0.00 0.00 57.03 57.30 1axx h ASP 60 Cb 1.53 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.66 1axx h ASP 60 CO 0.12 0.05 -1.44 0.58 -2.88 0.00 0.00 179.24 175.68 1axx h VAL 61 N 0.42 1.19 0.00 2.25 2.07 -1.47 -3.49 116.25 117.23 1axx h VAL 61 Ca 0.48 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1axx h VAL 61 Cb 0.83 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1axx h VAL 61 CO -0.47 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1axx n GLY 62 N 1.50 2.56 1.05 2.17 0.00 0.93 -4.90 105.19 108.50 1axx n GLY 62 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.89 -1.33 1.61 8.25 -1.25 -4.64 115.22 114.97 1axx n HIS 63 Ca 0.00 1.54 -0.30 0.00 -0.26 0.00 0.00 57.72 58.70 1axx n HIS 63 Cb 0.00 -2.64 0.10 0.00 1.12 0.00 0.00 29.99 28.57 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 -3.30 4.32 0.35 0.41 0.01 -1.26 -4.86 113.70 109.37 1axx s SER 64 Ca 0.00 1.61 0.04 0.00 1.31 0.00 0.00 55.95 58.91 1axx s SER 64 Cb 0.00 -2.33 0.69 0.00 0.21 0.00 0.00 66.02 64.58 1axx s SER 64 CO 0.00 -2.12 1.98 0.00 0.41 0.00 0.00 173.24 173.51 1axx h THR 65 N -1.19 1.08 -0.84 1.44 1.03 -1.99 -0.14 112.91 112.31 1axx h THR 65 Ca -0.46 -0.28 0.14 0.00 -0.01 0.00 0.00 66.41 65.80 1axx h THR 65 Cb 1.25 0.20 -0.15 0.00 -1.07 0.00 0.00 68.15 68.39 1axx h THR 65 CO 0.54 0.15 -0.34 0.44 -0.01 0.00 0.00 175.52 176.30 1axx h ASP 66 N 0.81 -1.22 -0.39 0.00 5.19 -1.99 0.12 116.42 118.93 1axx h ASP 66 Ca 0.28 0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.94 1axx h ASP 66 Cb 0.11 0.66 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 1axx h ASP 66 CO -0.08 -0.29 0.14 0.00 -3.12 0.00 0.00 179.24 175.89 1axx h ALA 67 N 1.35 0.51 -0.19 3.45 0.00 -1.39 0.39 119.26 123.38 1axx h ALA 67 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1axx h ALA 67 Cb 0.59 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1axx h ALA 67 CO -0.87 0.13 -0.23 0.00 0.00 0.00 0.00 179.25 178.28 1axx h ARG 68 N 0.49 -0.25 -0.71 0.00 3.08 -0.48 0.21 114.38 116.72 1axx h ARG 68 Ca 0.13 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1axx h ARG 68 Cb 0.21 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1axx h ARG 68 CO -0.01 -0.17 0.18 1.05 -1.07 0.00 0.00 179.97 179.95 1axx h GLU 69 N -0.26 1.12 -0.91 0.04 4.11 -0.74 -2.90 114.58 115.04 1axx h GLU 69 Ca 0.12 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1axx h GLU 69 Cb 0.45 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1axx h GLU 69 CO -0.34 0.99 0.57 1.25 0.07 0.00 0.00 179.01 181.54 1axx h LEU 70 N 1.07 1.07 -0.84 3.06 5.85 -0.06 -1.82 115.31 123.62 1axx h LEU 70 Ca 0.22 -0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.10 1axx h LEU 70 Cb 0.36 -0.27 -0.15 0.00 0.37 0.00 0.00 40.66 40.98 1axx h LEU 70 CO 0.00 0.80 0.04 0.28 -0.34 0.00 0.00 178.44 179.21 1axx h SER 71 N 1.24 -0.35 -0.70 1.25 0.02 -0.39 0.73 113.55 115.34 1axx h SER 71 Ca 0.33 0.22 0.12 0.00 -0.84 0.00 0.00 61.79 61.62 1axx h SER 71 Cb -0.10 0.38 -0.09 0.00 0.14 0.00 0.00 62.40 62.74 1axx h SER 71 CO -0.07 -0.22 0.28 0.11 -1.14 0.00 0.00 176.83 175.79 1axx h LYS 72 N 0.09 0.44 -0.16 3.45 1.57 -1.39 0.35 116.57 120.92 1axx h LYS 72 Ca 0.48 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.28 1axx h LYS 72 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1axx h LYS 72 CO -0.74 0.29 0.17 1.15 -0.57 0.00 0.00 179.45 179.75 1axx h THR 73 N 0.45 0.53 -0.01 -0.16 2.02 -0.93 -1.13 112.91 113.68 1axx h THR 73 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1axx h THR 73 Cb 0.51 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1axx h THR 73 CO -0.36 0.00 -0.51 -1.22 0.37 0.00 0.00 175.52 173.80 1axx n TYR 74 N -3.89 0.00 -2.20 3.16 4.01 0.99 -4.97 117.16 114.26 1axx n TYR 74 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1axx n TYR 74 Cb 0.29 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 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 -2.53 3.13 -0.19 -0.72 2.07 0.23 -1.18 121.20 122.01 1axx s ILE 75 Ca 0.18 0.95 -0.06 0.00 -1.41 0.00 0.00 60.65 60.32 1axx s ILE 75 Cb 0.18 -3.61 -0.10 0.00 0.13 0.00 0.00 42.46 39.06 1axx s ILE 75 CO 0.60 0.15 -0.22 2.30 -1.91 0.00 0.00 174.94 175.86 1axx n ILE 76 N 2.40 1.07 -1.00 2.00 -5.35 -0.40 -4.86 119.36 113.23 1axx n ILE 76 Ca 0.05 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1axx n ILE 76 Cb 0.43 -1.54 0.00 0.00 -1.74 0.00 0.00 39.64 36.79 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 2.09 2.55 3.31 3.28 0.00 -1.13 -4.18 105.19 111.10 1axx n GLY 77 Ca -0.37 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 2.81 1.58 0.05 1.61 2.02 -0.20 -0.68 118.70 125.90 1axx s GLU 78 Ca 0.00 -1.79 -0.26 0.00 0.02 0.00 0.00 54.97 52.94 1axx s GLU 78 Cb 0.00 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 1axx s GLU 78 CO 0.00 -0.59 0.81 -1.17 0.02 0.00 0.00 175.26 174.34 1axx s LEU 79 N -3.25 4.45 0.34 1.80 0.20 -1.24 -0.59 118.68 120.40 1axx s LEU 79 Ca 0.37 1.52 -0.26 0.00 0.69 0.00 0.00 54.13 56.44 1axx s LEU 79 Cb 0.03 -3.31 -0.13 0.00 -0.43 0.00 0.00 46.19 42.35 1axx s LEU 79 CO 0.20 -0.02 1.00 1.57 -0.29 0.00 0.00 176.35 178.81 1axx n HIS 80 N 2.90 1.21 0.04 5.38 -0.00 0.47 -4.70 115.22 120.52 1axx n HIS 80 Ca -0.01 0.64 -0.02 0.00 0.46 0.00 0.00 57.72 58.79 1axx n HIS 80 Cb 0.50 -2.24 0.25 0.00 -0.12 0.00 0.00 29.99 28.38 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 1.81 0.42 -0.33 1.57 0.13 -1.93 -0.10 132.00 133.56 1axx h PRO 81 Ca -0.42 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1axx h PRO 81 Cb 1.34 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1axx h PRO 81 CO 0.59 0.61 -0.44 -0.44 -0.23 0.00 0.00 178.00 178.09 1axx h ASP 82 N 0.38 -1.44 -0.03 1.44 5.19 -1.99 0.19 116.42 120.15 1axx h ASP 82 Ca 0.06 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1axx h ASP 82 Cb 0.58 0.61 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1axx h ASP 82 CO 0.04 -0.39 0.02 0.44 -3.12 0.00 0.00 179.24 176.23 1axx h ASP 83 N -0.38 0.05 -0.87 6.45 3.32 -1.76 -2.29 116.42 120.94 1axx h ASP 83 Ca 0.11 -0.12 0.20 0.00 0.02 0.00 0.00 57.03 57.24 1axx h ASP 83 Cb 0.60 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.02 1axx h ASP 83 CO -0.53 0.16 0.36 -0.09 -1.72 0.00 0.00 179.24 177.42 1axx h ARG 84 N -0.07 0.40 0.00 3.56 2.43 -0.41 0.22 114.38 120.51 1axx h ARG 84 Ca 0.01 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1axx h ARG 84 Cb 0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1axx h ARG 84 CO -0.00 0.26 -0.37 1.03 -1.51 0.00 0.00 179.97 179.38 1axx h SER 85 N 0.41 0.00 -2.05 -3.80 0.87 -0.23 -3.34 113.55 105.42 1axx h SER 85 Ca 0.52 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.58 1axx h SER 85 Cb 0.95 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.51 1axx h SER 85 CO -0.50 0.37 -1.10 1.17 -0.53 0.00 0.00 176.83 176.23 1axx n LYS 86 N -3.67 1.34 -0.24 2.24 4.81 0.50 -4.98 118.16 118.16 1axx n LYS 86 Ca -0.01 -3.62 0.01 0.00 -0.87 0.00 0.00 58.31 53.82 1axx n LYS 86 Cb 0.47 -1.78 0.09 0.00 0.02 0.00 0.00 35.03 33.83 1axx n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1axx h ILE 87 N 1.38 0.32 -1.01 3.15 1.08 -0.89 -3.45 117.51 118.09 1axx h ILE 87 Ca 0.10 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1axx h ILE 87 Cb 0.89 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1axx h ILE 87 CO 0.55 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.02 1axx n ALA 88 N -3.11 0.00 -2.52 1.87 0.00 -1.26 -4.38 120.51 111.10 1axx n ALA 88 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1axx n ALA 88 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 3.39 1.12 0.00 2.36 -1.26 -5.09 119.74 120.26 1axx s LYS 89 Ca 0.00 -0.60 -0.17 0.00 -2.55 0.00 0.00 55.97 52.65 1axx s LYS 89 Cb 0.00 -3.86 0.25 0.00 -1.05 0.00 0.00 37.83 33.17 1axx s LYS 89 CO 0.00 -0.60 1.11 -1.25 1.55 0.00 0.00 175.35 176.16 1axx s PRO 90 N 1.95 -0.55 0.22 4.03 0.04 -1.26 -4.95 135.00 134.48 1axx s PRO 90 Ca 0.10 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.94 1axx s PRO 90 Cb -0.17 -1.66 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 1axx s PRO 90 CO 0.12 -3.30 1.30 -1.13 0.04 0.00 0.00 177.00 174.03 1axx n SER 91 N -4.50 2.20 -4.87 6.66 3.41 -1.26 -4.99 113.62 110.27 1axx n SER 91 Ca 0.10 1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 59.55 1axx n SER 91 Cb 0.59 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.20 1axx n SER 91 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1axx s GLU 92 N -0.51 3.60 0.00 4.33 2.12 -1.26 -4.56 118.70 122.42 1axx s GLU 92 Ca 0.69 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1axx s GLU 92 Cb -0.72 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1axx s GLU 92 CO 0.51 -0.53 0.00 2.41 -0.54 0.00 0.00 175.26 177.12 1axx n THR 93 N -2.68 0.00 -0.84 -1.70 -1.04 -1.26 -5.27 114.28 101.49 1axx n THR 93 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1axx n THR 93 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32