#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 -0.03 -1.24 5.02 -1.26 -4.98 118.16 115.67 1axx n LYS 2 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1axx n LYS 2 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 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 1.02 0.00 4.39 8.00 -1.26 -4.93 116.55 123.76 1axx n ASP 3 Ca 0.00 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1axx n ASP 3 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1axx n ASP 3 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1axx n VAL 4 N -3.09 0.00 -3.06 2.53 0.24 -1.26 -5.05 118.33 108.63 1axx n VAL 4 Ca -0.21 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.77 1axx n VAL 4 Cb 1.06 -0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 1axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1axx n LYS 5 N 0.00 3.63 -2.38 7.34 4.76 -1.26 -4.89 118.16 125.36 1axx n LYS 5 Ca 0.00 -4.71 -0.43 0.00 -2.87 0.00 0.00 58.31 50.30 1axx n LYS 5 Cb 0.00 -2.34 -0.02 0.00 -1.84 0.00 0.00 35.03 30.83 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 -3.16 2.56 0.04 2.13 2.02 -1.26 -0.62 117.35 119.07 1axx s TYR 6 Ca 0.41 0.79 0.09 0.00 -0.37 0.00 0.00 57.07 57.99 1axx s TYR 6 Cb 0.18 -4.01 -0.03 0.00 -0.40 0.00 0.00 41.96 37.70 1axx s TYR 6 CO -0.04 -1.89 -0.26 0.71 -1.57 0.00 0.00 175.55 172.50 1axx s TYR 7 N 4.70 2.25 0.75 2.71 2.02 0.20 -3.84 117.35 126.14 1axx s TYR 7 Ca 0.59 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.78 1axx s TYR 7 Cb -0.17 -1.35 0.06 0.00 -0.40 0.00 0.00 41.96 40.10 1axx s TYR 7 CO 0.26 0.11 1.10 0.95 -1.57 0.00 0.00 175.55 176.40 1axx s THR 8 N -0.79 2.46 -0.00 -0.71 -4.23 -1.26 -0.01 115.64 111.10 1axx s THR 8 Ca 0.11 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1axx s THR 8 Cb -0.10 -3.12 -0.10 0.00 1.34 0.00 0.00 72.50 70.52 1axx s THR 8 CO 0.02 -0.15 0.88 -0.07 -0.54 0.00 0.00 174.62 174.76 1axx h LEU 9 N -0.81 -0.53 -0.71 4.79 -0.00 -1.99 -1.47 115.31 114.60 1axx h LEU 9 Ca -0.45 0.02 0.15 0.00 -0.00 0.00 0.00 57.88 57.59 1axx h LEU 9 Cb 1.31 0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 42.00 1axx h LEU 9 CO 0.64 -0.24 0.19 -0.08 -0.00 0.00 0.00 178.44 178.95 1axx h GLU 10 N -0.90 0.29 0.14 1.13 4.81 -1.96 0.23 114.58 118.33 1axx h GLU 10 Ca -0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1axx h GLU 10 Cb 0.48 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1axx h GLU 10 CO 0.10 0.19 -0.26 1.49 -0.73 0.00 0.00 179.01 179.81 1axx h GLU 11 N 0.30 -0.47 -0.99 1.92 4.81 -1.96 -0.63 114.58 117.56 1axx h GLU 11 Ca 0.39 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.72 1axx h GLU 11 Cb 0.64 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1axx h GLU 11 CO -0.46 -0.31 0.64 0.82 -0.73 0.00 0.00 179.01 178.97 1axx h ILE 12 N -0.48 1.09 0.00 2.32 1.08 -0.05 0.24 117.51 121.70 1axx h ILE 12 Ca 0.02 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1axx h ILE 12 Cb 0.50 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1axx h ILE 12 CO -0.13 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.54 1axx n GLN 13 N -4.50 0.08 0.09 2.37 6.02 0.66 -2.05 117.38 120.06 1axx n GLN 13 Ca 0.15 0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 57.16 1axx n GLN 13 Cb 0.19 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 1axx n GLN 13 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1axx h LYS 14 N 0.00 0.39 -5.74 -1.09 6.56 0.56 -3.42 116.57 113.82 1axx h LYS 14 Ca 0.00 -0.66 -0.67 0.00 -1.06 0.00 0.00 60.65 58.25 1axx h LYS 14 Cb 0.15 0.25 -0.10 0.00 -0.57 0.00 0.00 32.23 31.96 1axx h LYS 14 CO 0.00 1.29 1.96 -1.01 -2.06 0.00 0.00 179.45 179.63 1axx s HIS 15 N -2.59 2.84 -0.09 -1.35 3.76 -0.87 -4.50 115.29 112.48 1axx s HIS 15 Ca -0.12 -1.56 0.13 0.00 -0.15 0.00 0.00 55.06 53.36 1axx s HIS 15 Cb 0.06 -4.68 0.26 0.00 1.11 0.00 0.00 32.58 29.32 1axx s HIS 15 CO 0.87 -1.77 1.16 0.36 -0.85 0.00 0.00 174.74 174.51 1axx n LYS 16 N 8.10 0.45 -4.39 1.40 2.85 -0.56 -1.48 118.16 124.52 1axx n LYS 16 Ca 0.44 -1.65 -0.30 0.00 -1.05 0.00 0.00 58.31 55.75 1axx n LYS 16 Cb 0.46 0.07 -0.05 0.00 -0.65 0.00 0.00 35.03 34.87 1axx n LYS 16 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1axx s ASP 17 N -1.68 4.34 -0.07 -5.58 -4.77 -1.12 -4.88 116.67 102.93 1axx s ASP 17 Ca 0.15 -1.47 -0.31 0.00 -3.30 0.00 0.00 52.55 47.62 1axx s ASP 17 Cb 0.23 0.45 -0.09 0.00 -1.09 0.00 0.00 42.92 42.42 1axx s ASP 17 CO -0.08 -0.94 2.01 -1.54 0.70 0.00 0.00 175.17 175.32 1axx n SER 18 N -1.47 3.71 -1.21 2.11 3.41 -1.26 -0.73 113.62 118.18 1axx n SER 18 Ca -0.11 0.76 -0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1axx n SER 18 Cb 0.66 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.11 1axx n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1axx n LYS 19 N 7.58 -0.89 -2.75 4.33 3.00 -1.26 -4.91 118.16 123.25 1axx n LYS 19 Ca 0.24 0.65 -0.09 0.00 -0.00 0.00 0.00 58.31 59.11 1axx n LYS 19 Cb 0.38 -4.75 0.09 0.00 0.00 0.00 0.00 35.03 30.74 1axx n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1axx n SER 20 N -0.12 -1.59 -4.43 3.14 2.88 0.09 -4.98 113.62 108.61 1axx n SER 20 Ca -0.13 -3.03 -0.44 0.00 -1.33 0.00 0.00 58.87 53.94 1axx n SER 20 Cb 0.55 1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 65.07 1axx n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1axx s THR 21 N -0.26 5.08 0.23 2.46 2.01 -1.20 -1.50 115.64 122.46 1axx s THR 21 Ca 0.24 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.61 1axx s THR 21 Cb 0.36 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1axx s THR 21 CO -0.06 -0.62 0.12 0.26 -0.69 0.00 0.00 174.62 173.63 1axx s TRP 22 N 2.09 2.98 0.05 4.92 0.52 -0.55 -2.08 118.94 126.87 1axx s TRP 22 Ca 0.10 -0.13 -0.07 0.00 0.02 0.00 0.00 56.10 56.02 1axx s TRP 22 Cb -0.21 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1axx s TRP 22 CO 0.10 0.55 0.13 0.14 0.02 0.00 0.00 176.95 177.88 1axx s VAL 23 N -2.08 0.14 -0.11 4.03 -7.23 -0.22 -0.20 120.40 114.73 1axx s VAL 23 Ca 0.32 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1axx s VAL 23 Cb -0.08 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.82 1axx s VAL 23 CO 0.23 -0.63 -0.12 0.27 -0.31 0.00 0.00 175.10 174.54 1axx s ILE 24 N -3.01 1.32 -0.26 -0.62 -5.25 -1.26 -0.57 121.20 111.56 1axx s ILE 24 Ca -0.02 -0.51 0.00 0.00 -0.99 0.00 0.00 60.65 59.13 1axx s ILE 24 Cb 0.01 -1.25 0.07 0.00 2.95 0.00 0.00 42.46 44.24 1axx s ILE 24 CO -0.06 0.41 0.00 -0.76 -1.79 0.00 0.00 174.94 172.74 1axx s LEU 25 N 1.26 2.56 -1.06 0.37 1.43 -0.00 -2.44 118.68 120.80 1axx s LEU 25 Ca -0.02 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.65 1axx s LEU 25 Cb -0.14 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.95 1axx s LEU 25 CO -0.05 -0.30 0.89 1.41 0.23 0.00 0.00 176.35 178.53 1axx n HIS 26 N 4.71 -2.38 0.00 0.29 8.25 -1.26 -3.25 115.22 121.59 1axx n HIS 26 Ca -0.07 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1axx n HIS 26 Cb 0.44 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.55 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 -3.37 0.00 -1.63 4.41 8.25 -1.26 -4.92 115.22 116.70 1axx n HIS 27 Ca -0.07 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.92 1axx n HIS 27 Cb 0.61 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 1axx n HIS 27 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1axx n LYS 28 N 0.00 1.65 -3.98 -0.41 5.02 -1.20 -2.20 118.16 117.03 1axx n LYS 28 Ca 0.00 0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 56.53 1axx n LYS 28 Cb 0.00 -2.16 -0.09 0.00 -0.02 0.00 0.00 35.03 32.75 1axx n LYS 28 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1axx s VAL 29 N -0.17 4.88 0.04 -0.18 1.01 0.45 -0.82 120.40 125.62 1axx s VAL 29 Ca 0.70 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1axx s VAL 29 Cb -0.73 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1axx s VAL 29 CO 0.51 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.53 1axx s TYR 30 N 0.23 2.17 -0.24 5.22 1.51 0.26 -1.12 117.35 125.39 1axx s TYR 30 Ca 0.05 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1axx s TYR 30 Cb -0.12 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1axx s TYR 30 CO 0.00 0.11 -0.01 0.34 -1.11 0.00 0.00 175.55 174.87 1axx s ASP 31 N -1.18 4.51 -0.17 2.29 -1.08 -0.77 -1.05 116.67 119.22 1axx s ASP 31 Ca 0.10 -0.45 0.17 0.00 -0.52 0.00 0.00 52.55 51.85 1axx s ASP 31 Cb -0.10 -1.77 0.48 0.00 -1.46 0.00 0.00 42.92 40.07 1axx s ASP 31 CO 0.02 -0.05 1.36 0.18 0.52 0.00 0.00 175.17 177.20 1axx n LEU 32 N 4.81 3.54 -0.32 -1.34 4.77 -0.89 -4.74 117.00 122.83 1axx n LEU 32 Ca -0.17 -3.03 0.10 0.00 -0.03 0.00 0.00 56.01 52.88 1axx n LEU 32 Cb 0.50 -0.52 0.27 0.00 -2.33 0.00 0.00 43.42 41.34 1axx n LEU 32 CO 0.29 0.68 1.13 0.74 -1.33 0.00 0.00 177.39 178.91 1axx h THR 33 N 1.41 0.70 -0.67 -5.08 2.02 -1.85 0.23 112.91 109.67 1axx h THR 33 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1axx h THR 33 Cb 1.34 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1axx h THR 33 CO 0.17 0.12 0.00 0.29 0.37 0.00 0.00 175.52 176.47 1axx n LYS 34 N -4.85 3.60 0.00 6.66 5.02 -1.26 -4.18 118.16 123.15 1axx n LYS 34 Ca 0.20 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 1axx n LYS 34 Cb 0.51 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.21 0.00 0.05 2.13 7.35 0.61 -4.73 117.46 124.07 1axx n PHE 35 Ca 0.26 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.87 1axx n PHE 35 Cb 0.86 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.64 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 0.06 -0.77 -0.18 -2.13 3.38 -1.14 0.24 115.31 114.76 1axx h LEU 36 Ca 0.00 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1axx h LEU 36 Cb 0.01 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1axx h LEU 36 CO 0.00 -0.26 -0.55 -0.08 0.09 0.00 0.00 178.44 177.64 1axx h GLU 37 N -0.35 0.69 -0.96 1.13 4.81 -1.89 -2.88 114.58 115.14 1axx h GLU 37 Ca -0.00 -0.50 0.17 0.00 -0.13 0.00 0.00 59.36 58.89 1axx h GLU 37 Cb 0.36 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 1axx h GLU 37 CO -0.15 1.12 0.61 0.93 -0.73 0.00 0.00 179.01 180.79 1axx h GLU 38 N 0.39 0.70 -6.04 1.92 5.08 -1.81 -3.42 114.58 111.39 1axx h GLU 38 Ca -0.02 -0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.59 1axx h GLU 38 Cb 1.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1axx h GLU 38 CO 0.12 0.46 1.23 1.58 -1.00 0.00 0.00 179.01 181.40 1axx n HIS 39 N -4.63 1.67 -2.02 4.33 -0.00 0.82 -4.80 115.22 110.58 1axx n HIS 39 Ca 0.20 0.47 -0.32 0.00 0.46 0.00 0.00 57.72 58.53 1axx n HIS 39 Cb 0.53 -2.46 -0.05 0.00 -0.12 0.00 0.00 29.99 27.89 1axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1axx n PRO 40 N 7.11 1.80 0.00 1.57 -0.04 -1.26 -0.76 135.00 143.42 1axx n PRO 40 Ca 0.39 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1axx n PRO 40 Cb 0.14 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 29.99 1axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1axx n GLY 41 N 5.57 0.68 0.00 0.55 0.00 -1.26 -5.17 105.19 105.56 1axx n GLY 41 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.38 0.13 -0.02 0.00 0.07 -4.90 105.19 102.84 1axx n GLY 42 Ca 0.00 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 1axx n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1axx n GLU 43 N -1.57 0.66 -0.07 1.61 2.13 -1.09 -4.32 120.64 117.99 1axx n GLU 43 Ca 0.00 0.36 -0.10 0.00 0.66 0.00 0.00 57.16 58.09 1axx n GLU 43 Cb 0.00 -1.67 -0.03 0.00 0.27 0.00 0.00 31.44 30.01 1axx n GLU 43 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1axx h GLU 44 N -0.46 0.35 -1.06 5.31 4.81 -1.92 0.50 114.58 122.10 1axx h GLU 44 Ca -0.45 -0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.03 1axx h GLU 44 Cb 1.70 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.91 1axx h GLU 44 CO -0.10 0.28 0.67 -0.39 -0.73 0.00 0.00 179.01 178.73 1axx h VAL 45 N 0.31 0.47 -0.13 0.32 -1.51 -1.91 0.14 116.25 113.95 1axx h VAL 45 Ca 0.09 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1axx h VAL 45 Cb 0.03 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.23 1axx h VAL 45 CO -0.02 0.07 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.23 1axx h LEU 46 N 0.39 0.31 0.00 4.19 -0.00 -0.36 -3.26 115.31 116.58 1axx h LEU 46 Ca 0.63 -0.45 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1axx h LEU 46 Cb 1.57 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 1axx h LEU 46 CO -0.36 0.69 0.00 -1.14 -0.00 0.00 0.00 178.44 177.63 1axx n ARG 47 N -4.64 0.90 -0.07 1.13 0.00 0.49 -2.21 116.66 112.27 1axx n ARG 47 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.72 1axx n ARG 47 Cb 0.32 -1.46 -0.05 0.00 0.00 0.00 0.00 32.46 31.26 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 0.00 0.00 0.00 -0.14 4.39 -0.97 -3.40 114.58 114.46 1axx h GLU 48 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1axx h GLU 48 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1axx h GLU 48 CO 0.00 0.40 -1.11 1.04 -1.16 0.00 0.00 179.01 178.17 1axx n GLN 49 N -4.67 0.61 -1.44 2.33 1.13 -1.23 -4.95 117.38 109.16 1axx n GLN 49 Ca -0.08 0.09 -0.48 0.00 -1.94 0.00 0.00 57.00 54.59 1axx n GLN 49 Cb 0.26 -1.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.78 1axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1axx n ALA 50 N -2.18 -2.49 -3.31 -1.58 0.00 -0.94 -2.71 120.51 107.30 1axx n ALA 50 Ca -0.00 0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 1axx n ALA 50 Cb 0.55 -1.69 0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 1.85 -1.19 0.00 0.00 0.00 0.72 -4.77 105.19 101.80 1axx n GLY 51 Ca 0.17 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.61 -1.15 2.76 -0.02 0.00 -1.10 -4.54 105.19 99.53 1axx n GLY 52 Ca -0.07 0.75 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 1axx n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1axx s ASP 53 N -4.00 1.46 0.00 1.61 2.15 -1.23 -4.70 116.67 111.96 1axx s ASP 53 Ca 0.00 -0.39 0.27 0.00 0.43 0.00 0.00 52.55 52.87 1axx s ASP 53 Cb 0.00 0.46 0.95 0.00 -0.30 0.00 0.00 42.92 44.03 1axx s ASP 53 CO 0.00 -0.35 1.69 0.00 -0.17 0.00 0.00 175.17 176.34 1axx n ALA 54 N 5.32 2.94 0.03 3.66 0.00 -1.02 -4.25 120.51 127.18 1axx n ALA 54 Ca -0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 1axx n ALA 54 Cb 0.48 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 0.92 0.08 -0.55 0.00 2.02 -1.87 0.19 112.91 113.70 1axx h THR 55 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1axx h THR 55 Cb 0.45 0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 66.83 1axx h THR 55 CO 0.00 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.19 1axx h GLU 56 N -0.58 -0.20 0.08 6.66 5.08 -1.91 0.38 114.58 124.08 1axx h GLU 56 Ca 0.04 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1axx h GLU 56 Cb 0.67 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1axx h GLU 56 CO -0.37 -0.13 -0.04 -0.91 -1.00 0.00 0.00 179.01 176.55 1axx h ASN 57 N -0.21 -0.09 -0.61 1.42 4.21 -1.68 0.27 115.58 118.89 1axx h ASN 57 Ca 0.20 -0.12 0.10 0.00 1.21 0.00 0.00 56.30 57.69 1axx h ASN 57 Cb 0.56 0.02 -0.08 0.00 -1.12 0.00 0.00 38.32 37.70 1axx h ASN 57 CO -0.66 0.07 0.20 0.15 -1.29 0.00 0.00 177.43 175.90 1axx h PHE 58 N -0.24 0.34 0.01 1.19 3.57 -0.23 -2.11 116.94 119.47 1axx h PHE 58 Ca -0.01 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1axx h PHE 58 Cb 0.20 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1axx h PHE 58 CO -0.03 0.06 -0.91 0.93 -2.23 0.00 0.00 178.31 176.13 1axx h GLU 59 N 0.36 0.13 -0.52 1.11 4.39 -0.80 0.17 114.58 119.42 1axx h GLU 59 Ca 0.32 -0.16 0.10 0.00 0.34 0.00 0.00 59.36 59.96 1axx h GLU 59 Cb 0.42 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.03 1axx h GLU 59 CO -0.34 0.95 -0.05 0.22 -1.16 0.00 0.00 179.01 178.63 1axx h ASP 60 N 0.07 -0.32 0.44 1.42 3.58 0.22 -0.77 116.42 121.06 1axx h ASP 60 Ca -0.04 0.14 -0.31 0.00 0.42 0.00 0.00 57.03 57.24 1axx h ASP 60 Cb 1.57 0.26 0.02 0.00 1.72 0.00 0.00 39.33 42.90 1axx h ASP 60 CO 0.13 -0.12 -1.38 0.58 -2.88 0.00 0.00 179.24 175.58 1axx h VAL 61 N 0.07 1.38 0.00 2.25 2.07 -1.56 -3.49 116.25 116.97 1axx h VAL 61 Ca 0.26 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1axx h VAL 61 Cb 0.40 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1axx h VAL 61 CO -0.48 0.85 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1axx n GLY 62 N 1.63 3.00 1.05 2.17 0.00 0.59 -4.94 105.19 108.70 1axx n GLY 62 Ca -0.13 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.81 -1.91 1.61 8.25 -1.24 -4.70 115.22 114.42 1axx n HIS 63 Ca 0.00 1.55 -0.30 0.00 -0.26 0.00 0.00 57.72 58.71 1axx n HIS 63 Cb 0.00 -2.56 0.04 0.00 1.12 0.00 0.00 29.99 28.59 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 -6.39 5.59 0.40 0.41 0.01 -1.26 -4.98 113.70 107.49 1axx s SER 64 Ca 0.00 1.16 0.09 0.00 1.31 0.00 0.00 55.95 58.51 1axx s SER 64 Cb 0.00 -2.01 0.83 0.00 0.21 0.00 0.00 66.02 65.05 1axx s SER 64 CO 0.00 -1.24 1.96 0.00 0.41 0.00 0.00 173.24 174.37 1axx h THR 65 N -0.57 1.15 -0.41 1.44 1.03 -2.00 -1.89 112.91 111.66 1axx h THR 65 Ca -0.45 -0.59 0.09 0.00 -0.01 0.00 0.00 66.41 65.44 1axx h THR 65 Cb 1.24 1.04 -0.09 0.00 -1.07 0.00 0.00 68.15 69.27 1axx h THR 65 CO 0.63 0.19 -0.22 0.44 -0.01 0.00 0.00 175.52 176.55 1axx h ASP 66 N 0.29 -0.76 -0.34 0.00 5.19 -2.00 -0.61 116.42 118.18 1axx h ASP 66 Ca 0.06 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1axx h ASP 66 Cb 0.25 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1axx h ASP 66 CO 0.01 -0.25 0.20 0.00 -3.12 0.00 0.00 179.24 176.08 1axx h ALA 67 N 1.08 1.65 0.46 3.45 0.00 -1.73 0.04 119.26 124.21 1axx h ALA 67 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1axx h ALA 67 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1axx h ALA 67 CO -0.50 0.30 -0.22 0.00 0.00 0.00 0.00 179.25 178.83 1axx h ARG 68 N 0.51 -0.59 -0.63 0.00 2.47 -0.99 0.24 114.38 115.39 1axx h ARG 68 Ca 0.13 0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.83 1axx h ARG 68 Cb 0.03 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1axx h ARG 68 CO -0.02 -0.38 0.13 1.05 0.56 0.00 0.00 179.97 181.31 1axx h GLU 69 N -0.65 0.99 -0.53 0.04 4.11 -0.96 -2.35 114.58 115.23 1axx h GLU 69 Ca -0.06 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 1axx h GLU 69 Cb 0.49 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1axx h GLU 69 CO 0.10 0.90 0.26 1.25 0.07 0.00 0.00 179.01 181.59 1axx h LEU 70 N 0.94 0.66 -0.77 3.06 7.12 -0.83 -1.35 115.31 124.14 1axx h LEU 70 Ca 0.20 -0.06 0.14 0.00 0.13 0.00 0.00 57.88 58.29 1axx h LEU 70 Cb 0.36 -0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 40.23 1axx h LEU 70 CO 0.00 0.56 0.34 0.77 -0.13 0.00 0.00 178.44 179.98 1axx h SER 71 N 0.74 0.36 -0.76 1.25 4.64 0.04 -0.78 113.55 119.03 1axx h SER 71 Ca 0.19 0.10 0.08 0.00 -0.47 0.00 0.00 61.79 61.68 1axx h SER 71 Cb 0.07 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1axx h SER 71 CO -0.03 0.15 0.43 0.11 -0.87 0.00 0.00 176.83 176.62 1axx h LYS 72 N 0.50 0.74 -0.03 4.77 1.79 -1.19 0.37 116.57 123.52 1axx h LYS 72 Ca 0.42 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.86 1axx h LYS 72 Cb 0.61 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1axx h LYS 72 CO -0.38 0.49 0.07 1.15 -1.08 0.00 0.00 179.45 179.70 1axx h THR 73 N 0.76 0.25 -0.06 -0.16 2.02 -1.10 -1.51 112.91 113.12 1axx h THR 73 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1axx h THR 73 Cb 0.27 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1axx h THR 73 CO -0.21 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.46 1axx n TYR 74 N -3.44 0.04 -2.02 3.16 4.01 0.11 -4.97 117.16 114.05 1axx n TYR 74 Ca -0.02 -0.03 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 1axx n TYR 74 Cb 0.15 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.66 3.42 -0.20 -0.72 2.07 0.07 -1.84 121.20 122.33 1axx s ILE 75 Ca 0.25 0.70 0.10 0.00 -1.41 0.00 0.00 60.65 60.29 1axx s ILE 75 Cb 0.17 -3.45 -0.22 0.00 0.13 0.00 0.00 42.46 39.09 1axx s ILE 75 CO 0.26 -0.03 0.03 2.30 -1.91 0.00 0.00 174.94 175.59 1axx n ILE 76 N 5.07 1.47 -2.63 2.00 -5.35 -0.27 -4.92 119.36 114.72 1axx n ILE 76 Ca 0.16 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1axx n ILE 76 Cb 0.42 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 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 1.93 0.92 3.21 3.28 0.00 -1.01 -4.50 105.19 109.03 1axx n GLY 77 Ca -0.36 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 1.31 1.16 0.32 1.61 2.02 0.21 -0.41 118.70 124.92 1axx s GLU 78 Ca 0.00 -1.57 -0.28 0.00 0.02 0.00 0.00 54.97 53.14 1axx s GLU 78 Cb 0.00 0.28 -0.10 0.00 0.10 0.00 0.00 34.13 34.41 1axx s GLU 78 CO 0.00 -0.38 1.17 -1.17 0.02 0.00 0.00 175.26 174.90 1axx s LEU 79 N -3.13 4.43 0.26 1.80 0.20 -0.93 -0.63 118.68 120.67 1axx s LEU 79 Ca 0.35 2.39 -0.29 0.00 0.69 0.00 0.00 54.13 57.27 1axx s LEU 79 Cb 0.07 -3.74 -0.15 0.00 -0.43 0.00 0.00 46.19 41.94 1axx s LEU 79 CO 0.10 -0.37 0.98 1.57 -0.29 0.00 0.00 176.35 178.34 1axx n HIS 80 N 0.79 1.07 0.26 5.38 -0.00 0.99 -4.61 115.22 119.10 1axx n HIS 80 Ca 0.01 0.73 0.12 0.00 -0.00 0.00 0.00 57.72 58.58 1axx n HIS 80 Cb 0.45 -2.22 0.68 0.00 -0.00 0.00 0.00 29.99 28.89 1axx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1axx h PRO 81 N 2.14 0.00 0.52 1.57 0.13 -1.92 0.28 132.00 134.73 1axx h PRO 81 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1axx h PRO 81 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1axx h PRO 81 CO 0.62 0.14 -0.37 0.22 -0.23 0.00 0.00 178.00 178.38 1axx h ASP 82 N 0.00 -0.95 0.07 1.44 1.82 -1.94 0.13 116.42 116.98 1axx h ASP 82 Ca -0.00 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1axx h ASP 82 Cb 0.42 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1axx h ASP 82 CO 0.02 -0.54 -0.03 -0.78 -1.61 0.00 0.00 179.24 176.30 1axx h ASP 83 N -0.85 -0.07 -1.01 2.28 3.58 -1.78 -1.66 116.42 116.91 1axx h ASP 83 Ca -0.07 -0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.41 1axx h ASP 83 Cb 0.69 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.68 1axx h ASP 83 CO 0.04 0.02 0.64 -0.09 -2.88 0.00 0.00 179.24 176.97 1axx h ARG 84 N -0.16 1.03 -0.64 0.28 1.12 -0.94 0.15 114.38 115.21 1axx h ARG 84 Ca -0.01 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 1axx h ARG 84 Cb 0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 1axx h ARG 84 CO 0.01 0.68 0.00 0.45 -3.11 0.00 0.00 179.97 178.00 1axx n SER 85 N -4.58 4.77 -2.62 -3.80 2.88 0.46 -4.32 113.62 106.42 1axx n SER 85 Ca 0.18 -2.67 -0.02 0.00 -1.33 0.00 0.00 58.87 55.03 1axx n SER 85 Cb 0.30 -0.62 0.12 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.66 1.34 -1.87 -1.46 4.81 0.32 -4.99 118.16 116.97 1axx n LYS 86 Ca 0.23 -1.39 -0.42 0.00 -0.87 0.00 0.00 58.31 55.86 1axx n LYS 86 Cb 0.98 0.27 -0.03 0.00 0.02 0.00 0.00 35.03 36.27 1axx n LYS 86 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1axx s ILE 87 N -0.19 2.48 0.00 3.15 1.01 -0.04 -4.78 121.20 122.83 1axx s ILE 87 Ca 0.10 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1axx s ILE 87 Cb 0.42 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1axx s ILE 87 CO -0.12 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.84 1axx n ALA 88 N 4.09 2.48 -3.52 9.38 0.00 -1.26 -5.11 120.51 126.57 1axx n ALA 88 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1axx n ALA 88 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.55 0.51 -1.22 0.00 2.47 -1.26 -5.07 119.74 114.62 1axx s LYS 89 Ca 0.00 1.23 -0.16 0.00 -1.56 0.00 0.00 55.97 55.48 1axx s LYS 89 Cb 0.00 0.74 -0.03 0.00 -1.46 0.00 0.00 37.83 37.07 1axx s LYS 89 CO 0.00 -0.23 2.15 -0.35 0.16 0.00 0.00 175.35 177.07 1axx n PRO 90 N 5.36 2.41 0.00 4.03 -0.04 -1.26 -4.72 135.00 140.77 1axx n PRO 90 Ca -0.10 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1axx n PRO 90 Cb 0.50 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1axx n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1axx n SER 91 N 6.46 0.00 0.02 3.54 2.88 -1.26 -3.32 113.62 121.93 1axx n SER 91 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1axx n SER 91 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1axx n SER 91 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1axx n GLU 92 N 0.00 0.00 -2.87 -1.46 0.28 -1.26 -5.02 120.64 110.32 1axx n GLU 92 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1axx n GLU 92 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 1axx n GLU 92 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1axx n THR 93 N -2.38 -0.13 -1.25 3.84 -1.04 -1.24 -5.20 114.28 106.88 1axx n THR 93 Ca 0.00 -2.26 0.00 0.00 -2.04 0.00 0.00 64.05 59.75 1axx n THR 93 Cb 0.00 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 1axx n THR 93 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61