#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 0.00 -1.24 3.00 -1.26 -4.82 118.16 113.84 2axx n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2axx n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2axx n LYS 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2axx n ASP 3 N 2.48 0.00 0.00 3.14 -0.08 -1.26 -5.09 116.55 115.74 2axx n ASP 3 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2axx n ASP 3 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2axx n VAL 4 N 0.00 0.00 -2.67 5.18 0.31 -1.26 -4.93 118.33 114.96 2axx n VAL 4 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2axx n VAL 4 Cb 0.00 -0.15 0.03 0.00 -0.91 0.00 0.00 33.84 32.81 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2axx n LYS 5 N 0.00 1.48 -2.44 5.55 4.01 -1.26 -4.80 118.16 120.70 2axx n LYS 5 Ca 0.00 -3.42 -0.42 0.00 -0.51 0.00 0.00 58.31 53.96 2axx n LYS 5 Cb 0.00 -1.41 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 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 -3.30 3.23 0.03 2.13 2.02 -1.26 -0.77 117.35 119.43 2axx s TYR 6 Ca 0.29 1.21 0.07 0.00 -0.37 0.00 0.00 57.07 58.28 2axx s TYR 6 Cb 0.43 -3.43 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 2axx s TYR 6 CO 0.01 -1.36 -0.21 0.71 -1.57 0.00 0.00 175.55 173.13 2axx s TYR 7 N 1.97 1.83 0.31 2.71 2.02 0.06 -4.86 117.35 121.39 2axx s TYR 7 Ca 0.57 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 2axx s TYR 7 Cb -0.26 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2axx s TYR 7 CO 0.24 0.07 0.55 0.95 -1.57 0.00 0.00 175.55 175.78 2axx s THR 8 N -0.74 5.07 0.15 -0.71 -4.23 -1.26 -0.05 115.64 113.88 2axx s THR 8 Ca 0.08 -0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.18 2axx s THR 8 Cb -0.09 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 69.99 2axx s THR 8 CO 0.01 -0.43 1.64 -0.07 -0.54 0.00 0.00 174.62 175.23 2axx h LEU 9 N 1.26 -0.65 -0.20 4.79 -0.00 -1.98 0.11 115.31 118.63 2axx h LEU 9 Ca -0.48 0.13 0.06 0.00 -0.00 0.00 0.00 57.88 57.58 2axx h LEU 9 Cb 1.20 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 42.12 2axx h LEU 9 CO 0.64 -0.24 -0.26 -0.08 -0.00 0.00 0.00 178.44 178.50 2axx h GLU 10 N -0.20 -0.27 0.05 1.13 4.57 -1.96 0.12 114.58 118.02 2axx h GLU 10 Ca 0.14 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2axx h GLU 10 Cb 0.41 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2axx h GLU 10 CO -0.37 -0.18 -0.02 1.49 -1.18 0.00 0.00 179.01 178.75 2axx h GLU 11 N -0.28 -0.06 -0.31 1.92 4.81 -1.70 -0.41 114.58 118.55 2axx h GLU 11 Ca 0.12 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2axx h GLU 11 Cb 0.47 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 2axx h GLU 11 CO -0.37 0.01 -0.28 0.82 -0.73 0.00 0.00 179.01 178.46 2axx h ILE 12 N -0.11 0.31 0.00 2.32 2.04 -0.58 -0.16 117.51 121.33 2axx h ILE 12 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2axx h ILE 12 Cb 0.10 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2axx h ILE 12 CO 0.01 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.83 2axx n GLN 13 N -5.40 0.18 0.08 2.37 0.00 0.41 -1.93 117.38 113.09 2axx n GLN 13 Ca 0.00 0.16 0.11 0.00 -0.00 0.00 0.00 57.00 57.27 2axx n GLN 13 Cb 0.32 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 2axx n GLN 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2axx n LYS 14 N -1.32 0.62 -2.47 3.69 0.00 -0.10 -4.69 118.16 113.89 2axx n LYS 14 Ca 0.06 0.07 -0.39 0.00 0.00 0.00 0.00 58.31 58.06 2axx n LYS 14 Cb 0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 35.03 33.35 2axx n LYS 14 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2axx s HIS 15 N -3.37 2.45 -0.01 5.64 3.76 -0.81 -4.57 115.29 118.39 2axx s HIS 15 Ca -0.02 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2axx s HIS 15 Cb 0.10 -4.59 0.09 0.00 1.11 0.00 0.00 32.58 29.29 2axx s HIS 15 CO 0.81 -1.86 1.04 1.17 -0.85 0.00 0.00 174.74 175.05 2axx n LYS 16 N 8.76 0.06 -1.95 1.40 4.81 -1.26 -2.56 118.16 127.42 2axx n LYS 16 Ca 0.38 -1.25 -0.29 0.00 -0.87 0.00 0.00 58.31 56.27 2axx n LYS 16 Cb 0.49 -0.45 0.07 0.00 0.02 0.00 0.00 35.03 35.16 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 -1.26 5.01 0.17 3.14 2.15 -1.26 -4.96 116.67 119.66 2axx s ASP 17 Ca 0.08 0.90 -0.34 0.00 0.43 0.00 0.00 52.55 53.62 2axx s ASP 17 Cb 0.08 -1.57 -0.14 0.00 -0.30 0.00 0.00 42.92 40.99 2axx s ASP 17 CO -0.03 -1.58 1.60 -1.54 -0.17 0.00 0.00 175.17 173.45 2axx n SER 18 N -3.10 3.23 -3.66 -0.34 3.41 -1.26 -2.02 113.62 109.88 2axx n SER 18 Ca 0.07 1.08 -0.21 0.00 -0.26 0.00 0.00 58.87 59.55 2axx n SER 18 Cb 0.59 -1.45 0.05 0.00 -0.26 0.00 0.00 64.21 63.14 2axx n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2axx n LYS 19 N 3.48 -5.50 -2.70 4.33 4.76 -1.26 -4.92 118.16 116.35 2axx n LYS 19 Ca 0.17 0.68 -0.06 0.00 -2.87 0.00 0.00 58.31 56.23 2axx n LYS 19 Cb 0.30 -5.39 0.10 0.00 -1.84 0.00 0.00 35.03 28.19 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2axx n SER 20 N -3.05 -0.85 -4.55 4.39 2.88 -0.86 -4.94 113.62 106.65 2axx n SER 20 Ca -0.25 -2.42 -0.41 0.00 -1.33 0.00 0.00 58.87 54.46 2axx n SER 20 Cb 0.66 0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 64.60 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 -0.82 3.99 0.57 2.46 2.01 -1.26 -4.07 115.64 118.52 2axx s THR 21 Ca 0.21 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2axx s THR 21 Cb 0.42 -5.03 0.00 0.00 0.01 0.00 0.00 72.50 67.90 2axx s THR 21 CO -0.07 -1.90 0.88 0.26 -0.69 0.00 0.00 174.62 173.10 2axx s TRP 22 N 4.79 3.28 0.15 4.92 0.52 -1.26 -0.68 118.94 130.66 2axx s TRP 22 Ca 0.44 0.64 -0.23 0.00 0.02 0.00 0.00 56.10 56.97 2axx s TRP 22 Cb -0.01 -2.68 0.07 0.00 -1.15 0.00 0.00 33.47 29.71 2axx s TRP 22 CO -0.09 -0.75 0.64 0.14 0.02 0.00 0.00 176.95 176.91 2axx s VAL 23 N -2.95 0.00 -0.19 4.03 -7.23 -0.68 0.46 120.40 113.84 2axx s VAL 23 Ca 0.53 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.63 2axx s VAL 23 Cb -0.10 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.79 2axx s VAL 23 CO 0.45 0.00 -0.13 0.27 -0.31 0.00 0.00 175.10 175.38 2axx s ILE 24 N -3.70 1.76 -0.30 -0.62 -5.25 -1.26 -0.87 121.20 110.96 2axx s ILE 24 Ca 0.02 -1.00 0.03 0.00 -0.99 0.00 0.00 60.65 58.71 2axx s ILE 24 Cb -0.01 -1.76 0.08 0.00 2.95 0.00 0.00 42.46 43.72 2axx s ILE 24 CO -0.11 0.26 -0.01 -0.76 -1.79 0.00 0.00 174.94 172.53 2axx s LEU 25 N 1.36 3.87 -0.84 0.37 1.43 -0.49 -2.74 118.68 121.65 2axx s LEU 25 Ca 0.00 -1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 51.31 2axx s LEU 25 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2axx s LEU 25 CO -0.09 -0.31 0.73 1.41 0.23 0.00 0.00 176.35 178.33 2axx n HIS 26 N 4.41 -2.70 -3.72 0.29 8.25 -1.26 -3.81 115.22 116.68 2axx n HIS 26 Ca -0.04 1.00 -0.22 0.00 -0.26 0.00 0.00 57.72 58.20 2axx n HIS 26 Cb 0.42 -3.91 0.03 0.00 1.12 0.00 0.00 29.99 27.66 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 -2.32 -1.97 -3.63 4.41 8.25 -1.26 -4.98 115.22 113.71 2axx n HIS 27 Ca -0.06 0.85 -0.12 0.00 -0.26 0.00 0.00 57.72 58.14 2axx n HIS 27 Cb 0.55 -4.36 -0.07 0.00 1.12 0.00 0.00 29.99 27.23 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 -6.05 0.77 -0.19 -0.41 1.02 -1.25 -4.40 119.74 109.23 2axx s LYS 28 Ca 0.09 1.00 -0.07 0.00 0.02 0.00 0.00 55.97 57.01 2axx s LYS 28 Cb -0.04 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 2axx s LYS 28 CO 0.81 -0.11 0.04 0.08 -0.92 0.00 0.00 175.35 175.26 2axx s VAL 29 N 0.67 4.47 0.10 3.17 1.01 -0.01 -1.39 120.40 128.42 2axx s VAL 29 Ca -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2axx s VAL 29 Cb -0.05 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2axx s VAL 29 CO -0.05 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 2axx s TYR 30 N 0.65 2.44 -0.19 5.22 2.02 -0.05 -1.76 117.35 125.68 2axx s TYR 30 Ca 0.02 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.35 2axx s TYR 30 Cb -0.13 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 2axx s TYR 30 CO 0.02 0.32 0.02 0.34 -1.57 0.00 0.00 175.55 174.68 2axx s ASP 31 N -1.90 5.12 -0.12 2.29 2.15 -0.82 -1.69 116.67 121.69 2axx s ASP 31 Ca 0.15 -0.09 0.17 0.00 0.43 0.00 0.00 52.55 53.21 2axx s ASP 31 Cb -0.10 -1.87 0.30 0.00 -0.30 0.00 0.00 42.92 40.95 2axx s ASP 31 CO 0.07 0.12 1.19 0.18 -0.17 0.00 0.00 175.17 176.55 2axx n LEU 32 N 3.90 2.59 -0.27 -1.34 4.77 0.14 -4.81 117.00 121.99 2axx n LEU 32 Ca -0.17 -2.95 0.08 0.00 -0.03 0.00 0.00 56.01 52.94 2axx n LEU 32 Cb 0.52 -0.41 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 2axx n LEU 32 CO 0.33 0.68 1.00 0.74 -1.33 0.00 0.00 177.39 178.81 2axx h THR 33 N 0.35 0.54 -0.60 -5.08 2.02 -1.92 0.21 112.91 108.44 2axx h THR 33 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2axx h THR 33 Cb 1.02 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2axx h THR 33 CO 0.04 0.07 0.00 0.29 0.37 0.00 0.00 175.52 176.29 2axx n LYS 34 N -5.07 3.35 0.00 6.66 5.02 -1.26 -4.14 118.16 122.71 2axx n LYS 34 Ca 0.17 -2.55 0.02 0.00 -2.02 0.00 0.00 58.31 53.93 2axx n LYS 34 Cb 0.51 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.06 0.00 -0.01 2.13 7.35 0.62 -4.66 117.46 123.95 2axx n PHE 35 Ca 0.23 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.86 2axx n PHE 35 Cb 0.78 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.57 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 0.35 -0.70 -0.27 -2.13 3.38 -1.36 0.26 115.31 114.84 2axx h LEU 36 Ca 0.00 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2axx h LEU 36 Cb 0.13 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2axx h LEU 36 CO 0.00 -0.19 -0.37 -0.08 0.09 0.00 0.00 178.44 177.88 2axx h GLU 37 N -0.23 0.73 -0.90 1.13 4.81 -1.87 -2.80 114.58 115.45 2axx h GLU 37 Ca 0.01 -0.42 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 2axx h GLU 37 Cb 0.27 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 2axx h GLU 37 CO -0.18 1.05 0.58 0.93 -0.73 0.00 0.00 179.01 180.65 2axx h GLU 38 N 0.46 0.80 -6.01 1.92 5.08 -1.78 -3.43 114.58 111.62 2axx h GLU 38 Ca 0.03 -0.05 -0.70 0.00 -1.00 0.00 0.00 59.36 57.64 2axx h GLU 38 Cb 0.96 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2axx h GLU 38 CO 0.09 0.53 1.33 1.58 -1.00 0.00 0.00 179.01 181.53 2axx n HIS 39 N -4.55 1.57 -2.04 4.33 -0.00 0.91 -4.78 115.22 110.66 2axx n HIS 39 Ca 0.16 0.42 -0.33 0.00 0.46 0.00 0.00 57.72 58.44 2axx n HIS 39 Cb 0.37 -2.47 -0.05 0.00 -0.12 0.00 0.00 29.99 27.72 2axx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2axx n PRO 40 N 7.67 1.88 0.00 1.57 -0.04 -1.26 -0.78 135.00 144.04 2axx n PRO 40 Ca 0.42 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2axx n PRO 40 Cb 0.16 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 2axx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2axx n GLY 41 N 5.55 0.93 0.00 0.55 0.00 -1.26 -5.17 105.19 105.79 2axx n GLY 41 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 3.86 0.06 -0.02 0.00 0.04 -4.88 105.19 104.25 2axx n GLY 42 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 -0.41 1.61 4.22 -1.76 -3.37 114.58 114.87 2axx h GLU 43 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 2axx h GLU 43 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2axx h GLU 43 CO 0.00 0.35 -0.11 1.49 -2.18 0.00 0.00 179.01 178.56 2axx h GLU 44 N -1.00 -0.01 -1.00 1.92 4.81 -1.93 0.33 114.58 117.70 2axx h GLU 44 Ca -0.02 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.42 2axx h GLU 44 Cb 0.43 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.71 2axx h GLU 44 CO -0.01 -0.00 0.62 -0.39 -0.73 0.00 0.00 179.01 178.49 2axx h VAL 45 N -0.01 0.64 -0.06 0.32 -1.51 -1.90 0.41 116.25 114.15 2axx h VAL 45 Ca 0.20 -0.22 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 2axx h VAL 45 Cb 0.30 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 2axx h VAL 45 CO -0.42 0.11 -0.12 -0.07 -1.23 0.00 0.00 177.57 175.84 2axx h LEU 46 N 0.63 0.21 0.00 4.19 -0.00 -0.65 -3.30 115.31 116.39 2axx h LEU 46 Ca 0.58 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2axx h LEU 46 Cb 1.09 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2axx h LEU 46 CO -0.36 0.74 0.00 -1.14 -0.00 0.00 0.00 178.44 177.68 2axx n ARG 47 N -4.64 0.01 0.29 1.13 0.63 0.31 -3.26 116.66 111.13 2axx n ARG 47 Ca -0.08 0.20 -0.17 0.00 -0.92 0.00 0.00 57.85 56.88 2axx n ARG 47 Cb 0.37 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.69 2axx n ARG 47 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2axx h GLU 48 N 0.00 -0.89 0.00 -0.14 4.39 -0.39 -3.36 114.58 114.19 2axx h GLU 48 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2axx h GLU 48 Cb 0.29 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2axx h GLU 48 CO 0.00 -0.60 -0.02 1.96 -1.16 0.00 0.00 179.01 179.20 2axx h GLN 49 N -0.93 0.00 -2.52 2.33 4.20 -1.80 -3.51 115.11 112.88 2axx h GLN 49 Ca -0.05 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.94 2axx h GLN 49 Cb 0.80 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 2axx h GLN 49 CO -0.03 0.00 -0.48 0.00 -0.67 0.00 0.00 178.83 177.65 2axx n ALA 50 N -2.22 -3.32 -0.19 3.87 0.00 -1.20 -4.80 120.51 112.64 2axx n ALA 50 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2axx n ALA 50 Cb 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.42 1.36 0.00 0.00 0.00 0.17 -4.64 105.19 98.66 2axx n GLY 51 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 4.85 3.70 -0.02 0.00 -1.26 -2.36 105.19 110.11 2axx n GLY 52 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.07 0.00 1.61 8.00 -1.26 -4.20 116.55 119.62 2axx n ASP 53 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2axx n ASP 53 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 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 -2.44 2.07 0.04 2.24 0.00 -1.23 -4.73 120.51 116.45 2axx n ALA 54 Ca -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 2axx n ALA 54 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 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 0.09 0.59 -0.51 0.00 2.02 -1.82 0.35 112.91 113.63 2axx h THR 55 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2axx h THR 55 Cb 0.05 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 66.94 2axx h THR 55 CO 0.00 0.00 -0.33 -0.33 0.37 0.00 0.00 175.52 175.23 2axx h GLU 56 N -0.25 -0.19 0.16 6.66 4.39 -1.90 0.98 114.58 124.42 2axx h GLU 56 Ca 0.06 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2axx h GLU 56 Cb 0.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2axx h GLU 56 CO -0.18 -0.13 -0.08 -0.97 -1.16 0.00 0.00 179.01 176.49 2axx h ASN 57 N -0.20 -0.18 -0.72 1.42 -0.73 -1.80 0.29 115.58 113.66 2axx h ASN 57 Ca 0.20 -0.10 0.12 0.00 1.87 0.00 0.00 56.30 58.39 2axx h ASN 57 Cb 0.54 0.05 -0.09 0.00 0.27 0.00 0.00 38.32 39.09 2axx h ASN 57 CO -0.62 -0.01 0.30 0.15 -0.37 0.00 0.00 177.43 176.89 2axx h PHE 58 N -0.34 0.52 0.00 0.67 3.57 -0.41 -1.85 116.94 119.10 2axx h PHE 58 Ca -0.02 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.28 2axx h PHE 58 Cb 0.27 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2axx h PHE 58 CO -0.03 0.11 -1.23 0.93 -2.23 0.00 0.00 178.31 175.86 2axx h GLU 59 N 0.48 0.00 -0.53 1.11 4.39 -0.70 0.27 114.58 119.60 2axx h GLU 59 Ca 0.38 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.18 2axx h GLU 59 Cb 0.52 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.08 2axx h GLU 59 CO -0.35 0.82 0.02 0.22 -1.16 0.00 0.00 179.01 178.56 2axx h ASP 60 N 0.00 -0.18 -0.25 1.42 3.58 -0.06 -0.93 116.42 120.01 2axx h ASP 60 Ca -0.10 0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 2axx h ASP 60 Cb 1.85 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 43.10 2axx h ASP 60 CO 0.11 -0.06 -0.34 0.58 -2.88 0.00 0.00 179.24 176.65 2axx h VAL 61 N 0.14 1.31 0.00 2.25 2.07 -1.37 -3.48 116.25 117.18 2axx h VAL 61 Ca 0.27 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2axx h VAL 61 Cb 0.41 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2axx h VAL 61 CO -0.43 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2axx n GLY 62 N 0.28 2.92 1.10 2.17 0.00 0.96 -4.97 105.19 107.64 2axx n GLY 62 Ca -0.05 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.98 -1.64 1.61 8.25 -1.25 -4.67 115.22 114.54 2axx n HIS 63 Ca 0.00 1.63 -0.31 0.00 -0.26 0.00 0.00 57.72 58.78 2axx n HIS 63 Cb 0.00 -2.67 0.05 0.00 1.12 0.00 0.00 29.99 28.48 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 -5.60 5.42 0.20 0.41 0.01 -1.26 -4.98 113.70 107.90 2axx s SER 64 Ca 0.00 1.52 -0.10 0.00 1.31 0.00 0.00 55.95 58.68 2axx s SER 64 Cb 0.00 -2.40 0.25 0.00 0.21 0.00 0.00 66.02 64.08 2axx s SER 64 CO 0.00 -1.41 1.76 0.74 0.41 0.00 0.00 173.24 174.75 2axx h THR 65 N -0.69 0.84 -0.75 1.44 2.02 -2.01 -2.05 112.91 111.70 2axx h THR 65 Ca -0.44 -0.16 0.17 0.00 0.77 0.00 0.00 66.41 66.75 2axx h THR 65 Cb 1.22 0.32 -0.12 0.00 -1.74 0.00 0.00 68.15 67.83 2axx h THR 65 CO 0.58 0.09 0.13 0.44 0.37 0.00 0.00 175.52 177.13 2axx h ASP 66 N 0.48 -0.11 -0.85 4.18 5.19 -1.99 0.16 116.42 123.47 2axx h ASP 66 Ca 0.29 0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.94 2axx h ASP 66 Cb 0.31 0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.01 2axx h ASP 66 CO -0.26 -0.10 0.52 0.00 -3.12 0.00 0.00 179.24 176.28 2axx h ALA 67 N 1.66 1.19 -0.69 3.45 0.00 -1.75 0.21 119.26 123.32 2axx h ALA 67 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2axx h ALA 67 Cb 0.76 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2axx h ALA 67 CO -0.58 0.24 0.36 0.00 0.00 0.00 0.00 179.25 179.27 2axx h ARG 68 N 0.93 0.98 -0.33 0.00 3.08 -0.64 0.27 114.38 118.65 2axx h ARG 68 Ca 0.38 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 2axx h ARG 68 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2axx h ARG 68 CO -0.19 0.75 -0.14 0.93 -1.07 0.00 0.00 179.97 180.24 2axx h GLU 69 N 0.95 0.69 -0.68 0.04 4.39 -0.78 -2.96 114.58 116.23 2axx h GLU 69 Ca 0.24 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.71 2axx h GLU 69 Cb 0.07 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2axx h GLU 69 CO -0.04 0.89 0.45 1.25 -1.16 0.00 0.00 179.01 180.40 2axx h LEU 70 N 0.46 0.62 -0.73 1.33 5.85 -0.09 0.40 115.31 123.15 2axx h LEU 70 Ca 0.08 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.94 2axx h LEU 70 Cb 0.67 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 2axx h LEU 70 CO 0.05 0.41 0.26 0.28 -0.34 0.00 0.00 178.44 179.09 2axx h SER 71 N 0.71 0.20 -0.63 1.25 0.02 -0.32 -1.16 113.55 113.62 2axx h SER 71 Ca 0.29 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.45 2axx h SER 71 Cb 0.24 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2axx h SER 71 CO -0.09 0.07 0.27 0.11 -1.14 0.00 0.00 176.83 176.05 2axx h LYS 72 N 0.39 0.47 -0.08 3.45 6.56 -0.90 0.18 116.57 126.64 2axx h LYS 72 Ca 0.40 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.99 2axx h LYS 72 Cb 0.63 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.18 2axx h LYS 72 CO -0.42 0.31 0.12 1.15 -2.06 0.00 0.00 179.45 178.55 2axx h THR 73 N 0.48 0.34 -0.34 -0.16 2.02 -1.20 -0.54 112.91 113.52 2axx h THR 73 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 2axx h THR 73 Cb 0.35 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2axx h THR 73 CO -0.28 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.39 2axx n TYR 74 N -3.57 0.43 -1.92 3.16 4.01 0.55 -4.95 117.16 114.87 2axx n TYR 74 Ca -0.01 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 2axx n TYR 74 Cb 0.22 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.45 3.36 -0.07 -0.72 2.07 -0.21 -1.95 121.20 122.23 2axx s ILE 75 Ca 0.35 0.34 -0.18 0.00 -1.41 0.00 0.00 60.65 59.75 2axx s ILE 75 Cb 0.21 -3.56 -0.30 0.00 0.13 0.00 0.00 42.46 38.94 2axx s ILE 75 CO 0.29 -0.41 0.74 0.16 -1.91 0.00 0.00 174.94 173.81 2axx h ILE 76 N 6.93 1.26 -0.15 2.00 3.07 -1.69 -3.48 117.51 125.46 2axx h ILE 76 Ca -0.32 -2.49 0.00 0.00 1.55 0.00 0.00 64.86 63.60 2axx h ILE 76 Cb 1.18 2.95 0.00 0.00 -0.27 0.00 0.00 36.82 40.69 2axx h ILE 76 CO 1.06 0.72 0.00 0.61 -1.05 0.00 0.00 178.15 179.49 2axx n GLY 77 N 1.71 1.68 3.12 0.16 0.00 -0.72 -4.65 105.19 106.47 2axx n GLY 77 Ca -0.19 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 1.57 0.68 0.30 1.61 -1.05 0.05 -0.83 118.70 121.03 2axx s GLU 78 Ca 0.00 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.31 2axx s GLU 78 Cb 0.00 0.02 -0.11 0.00 -0.44 0.00 0.00 34.13 33.60 2axx s GLU 78 CO 0.00 -0.06 1.52 -1.17 0.95 0.00 0.00 175.26 176.49 2axx s LEU 79 N -2.85 4.36 0.16 1.83 2.96 -1.26 -0.76 118.68 123.12 2axx s LEU 79 Ca 0.07 2.88 -0.32 0.00 -0.22 0.00 0.00 54.13 56.54 2axx s LEU 79 Cb 0.05 -3.64 -0.17 0.00 0.50 0.00 0.00 46.19 42.94 2axx s LEU 79 CO -0.07 -0.83 0.86 1.57 -1.32 0.00 0.00 176.35 176.56 2axx n HIS 80 N 1.81 0.42 0.13 5.38 -0.00 0.93 -4.57 115.22 119.32 2axx n HIS 80 Ca 0.06 0.88 0.03 0.00 -0.00 0.00 0.00 57.72 58.69 2axx n HIS 80 Cb 0.39 -2.10 0.42 0.00 -0.00 0.00 0.00 29.99 28.70 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2axx h PRO 81 N 2.15 0.22 -0.08 1.57 0.13 -1.90 0.53 132.00 134.61 2axx h PRO 81 Ca -0.38 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2axx h PRO 81 Cb 1.40 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 2axx h PRO 81 CO 0.62 0.32 -0.12 0.22 -0.23 0.00 0.00 178.00 178.82 2axx h ASP 82 N 0.21 -0.40 -0.07 1.44 3.58 -1.98 0.21 116.42 119.41 2axx h ASP 82 Ca 0.05 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 2axx h ASP 82 Cb 0.30 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2axx h ASP 82 CO 0.02 -0.09 -0.10 -0.78 -2.88 0.00 0.00 179.24 175.40 2axx h ASP 83 N -0.09 0.21 -1.00 2.28 3.58 -1.76 0.97 116.42 120.62 2axx h ASP 83 Ca 0.01 -0.53 0.17 0.00 0.42 0.00 0.00 57.03 57.11 2axx h ASP 83 Cb 0.13 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.02 2axx h ASP 83 CO -0.13 0.70 0.62 -0.09 -2.88 0.00 0.00 179.24 177.46 2axx h ARG 84 N -0.27 0.77 0.11 0.28 1.12 -0.86 0.95 114.38 116.49 2axx h ARG 84 Ca 0.01 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 2axx h ARG 84 Cb 0.65 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 2axx h ARG 84 CO 0.02 0.51 -0.05 0.66 -3.11 0.00 0.00 179.97 178.00 2axx h SER 85 N 0.80 -0.13 -0.96 -3.80 4.64 -0.58 -3.39 113.55 110.13 2axx h SER 85 Ca 0.55 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 61.14 2axx h SER 85 Cb 0.82 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.84 2axx h SER 85 CO -0.34 0.04 2.63 1.17 -0.87 0.00 0.00 176.83 179.47 2axx n LYS 86 N -3.16 4.26 -1.59 4.77 4.81 0.33 -4.96 118.16 122.63 2axx n LYS 86 Ca -0.02 -3.23 -0.47 0.00 -0.87 0.00 0.00 58.31 53.72 2axx n LYS 86 Cb 0.06 -2.72 -0.05 0.00 0.02 0.00 0.00 35.03 32.34 2axx n LYS 86 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2axx n ILE 87 N 2.36 0.42 0.00 3.15 2.08 0.27 -4.61 119.36 123.02 2axx n ILE 87 Ca 0.62 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.66 2axx n ILE 87 Cb 0.26 -2.08 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 2axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2axx n ALA 88 N 9.25 1.47 -1.79 -1.39 0.00 -1.26 -5.03 120.51 121.76 2axx n ALA 88 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 2axx n ALA 88 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 2axx n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2axx s LYS 89 N 0.00 4.16 0.02 0.00 0.00 -1.26 -4.92 119.74 117.74 2axx s LYS 89 Ca 0.00 2.48 -0.26 0.00 0.00 0.00 0.00 55.97 58.19 2axx s LYS 89 Cb 0.00 -3.98 -0.17 0.00 0.00 0.00 0.00 37.83 33.68 2axx s LYS 89 CO 0.00 -0.89 1.37 -1.00 0.00 0.00 0.00 175.35 174.83 2axx h PRO 90 N 9.82 -0.31 -3.47 1.78 0.13 -2.02 -3.50 132.00 134.44 2axx h PRO 90 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2axx h PRO 90 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2axx h PRO 90 CO 0.94 -0.03 -0.73 0.43 -0.23 0.00 0.00 178.00 178.39 2axx n SER 91 N -5.11 -7.38 -3.88 1.44 7.64 -1.26 -5.09 113.62 99.98 2axx n SER 91 Ca -0.09 1.04 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 2axx n SER 91 Cb 0.23 -4.01 -0.09 0.00 -1.01 0.00 0.00 64.21 59.33 2axx n SER 91 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2axx s GLU 92 N -1.48 0.60 0.21 1.43 0.41 -1.26 -4.96 118.70 113.65 2axx s GLU 92 Ca 0.00 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 2axx s GLU 92 Cb 0.00 0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 2axx s GLU 92 CO 0.00 -0.16 0.00 2.41 -0.49 0.00 0.00 175.26 177.02 2axx n THR 93 N 0.92 0.26 -1.07 3.63 -1.04 -1.26 -5.15 114.28 110.56 2axx n THR 93 Ca -0.20 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2axx n THR 93 Cb 0.58 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 2axx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32