#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 0.64 0.00 -1.24 5.02 -1.26 -4.61 118.16 116.71 2axx n LYS 2 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2axx n LYS 2 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2axx n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2axx n ASP 3 N -2.16 0.00 0.00 4.39 8.00 -1.26 -4.38 116.55 121.14 2axx n ASP 3 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2axx n ASP 3 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2axx n VAL 4 N 0.00 0.00 -2.66 2.53 0.31 -1.26 -5.01 118.33 112.24 2axx n VAL 4 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2axx n VAL 4 Cb 0.00 -0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.87 -1.99 5.55 5.02 -1.26 -4.80 118.16 121.54 2axx n LYS 5 Ca 0.00 -1.18 -0.42 0.00 -2.02 0.00 0.00 58.31 54.68 2axx n LYS 5 Cb 0.00 0.10 -0.03 0.00 -0.02 0.00 0.00 35.03 35.08 2axx n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2axx s TYR 6 N 0.12 2.69 0.06 2.13 2.02 -1.26 -1.79 117.35 121.32 2axx s TYR 6 Ca 0.12 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2axx s TYR 6 Cb 0.29 -3.89 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 2axx s TYR 6 CO -0.07 -3.45 -0.16 0.71 -1.57 0.00 0.00 175.55 171.01 2axx s TYR 7 N 2.14 1.36 0.39 2.71 2.02 0.34 -4.87 117.35 121.44 2axx s TYR 7 Ca 0.71 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 2axx s TYR 7 Cb -0.39 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2axx s TYR 7 CO 0.31 0.07 0.64 0.95 -1.57 0.00 0.00 175.55 175.95 2axx s THR 8 N -0.99 5.02 0.11 -0.71 -4.23 -1.26 -0.45 115.64 113.13 2axx s THR 8 Ca 0.02 -0.13 -0.29 0.00 -1.18 0.00 0.00 61.69 60.11 2axx s THR 8 Cb -0.09 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.82 2axx s THR 8 CO 0.02 -0.64 1.61 -0.07 -0.54 0.00 0.00 174.62 175.00 2axx h LEU 9 N 0.66 -0.96 -0.65 4.79 -0.00 -1.98 -0.08 115.31 117.09 2axx h LEU 9 Ca -0.48 0.11 0.14 0.00 -0.00 0.00 0.00 57.88 57.65 2axx h LEU 9 Cb 1.21 0.37 -0.11 0.00 -0.00 0.00 0.00 40.66 42.13 2axx h LEU 9 CO 0.62 -0.42 0.02 -0.33 -0.00 0.00 0.00 178.44 178.33 2axx h GLU 10 N -0.55 0.12 0.22 1.13 5.08 -1.97 0.29 114.58 118.90 2axx h GLU 10 Ca 0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2axx h GLU 10 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2axx h GLU 10 CO -0.20 0.08 -0.10 1.49 -1.00 0.00 0.00 179.01 179.28 2axx h GLU 11 N 0.13 -0.28 -0.84 2.33 4.57 -1.79 -1.94 114.58 116.75 2axx h GLU 11 Ca 0.35 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.58 2axx h GLU 11 Cb 0.57 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.18 2axx h GLU 11 CO -0.55 -0.16 0.55 0.82 -1.18 0.00 0.00 179.01 178.49 2axx h ILE 12 N -0.33 1.13 0.00 2.32 2.04 -0.10 -0.10 117.51 122.47 2axx h ILE 12 Ca -0.03 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2axx h ILE 12 Cb 0.25 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2axx h ILE 12 CO 0.05 0.19 -0.06 -0.61 0.00 0.00 0.00 178.15 177.71 2axx h GLN 13 N 1.03 0.00 -0.09 2.37 4.15 -0.06 -0.14 115.11 122.37 2axx h GLN 13 Ca 0.34 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.64 2axx h GLN 13 Cb 0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2axx h GLN 13 CO -0.10 0.06 -0.46 0.87 -1.93 0.00 0.00 178.83 177.27 2axx h LYS 14 N 0.00 0.21 -3.67 1.69 6.56 -0.24 -3.36 116.57 117.76 2axx h LYS 14 Ca -0.00 -0.11 -0.69 0.00 -1.06 0.00 0.00 60.65 58.79 2axx h LYS 14 Cb 0.30 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2axx h LYS 14 CO 0.01 0.63 3.33 0.72 -2.06 0.00 0.00 179.45 182.09 2axx n HIS 15 N -3.98 3.04 0.18 -1.35 8.25 -0.06 -3.59 115.22 117.71 2axx n HIS 15 Ca -0.02 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.50 2axx n HIS 15 Cb 0.51 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.14 2axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2axx n LYS 16 N 5.26 0.00 0.31 -0.41 4.81 -1.25 -2.52 118.16 124.36 2axx n LYS 16 Ca 0.61 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.88 2axx n LYS 16 Cb 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.30 2axx n LYS 16 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2axx h ASP 17 N 0.00 -0.66 0.00 3.14 1.82 -1.82 -3.33 116.42 115.57 2axx h ASP 17 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2axx h ASP 17 Cb 0.00 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2axx h ASP 17 CO 0.00 -0.40 0.00 -1.20 -1.61 0.00 0.00 179.24 176.03 2axx n SER 18 N -5.39 0.00 0.00 2.28 7.64 -1.26 -4.92 113.62 111.98 2axx n SER 18 Ca -0.12 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2axx n SER 18 Cb 0.34 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2axx n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2axx n LYS 19 N -1.13 0.00 -1.54 1.43 4.81 -1.25 -5.09 118.16 115.39 2axx n LYS 19 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 2axx n LYS 19 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2axx n SER 20 N 0.00 1.48 -4.58 3.14 2.88 -1.26 -4.87 113.62 110.42 2axx n SER 20 Ca 0.00 -0.91 -0.42 0.00 -1.33 0.00 0.00 58.87 56.22 2axx n SER 20 Cb 0.00 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 61.99 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 11.80 3.85 0.27 2.46 2.01 -1.26 -3.84 115.64 130.92 2axx s THR 21 Ca 1.03 0.72 0.06 0.00 0.31 0.00 0.00 61.69 63.81 2axx s THR 21 Cb -0.32 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 2axx s THR 21 CO 0.23 -1.26 0.37 0.26 -0.69 0.00 0.00 174.62 173.53 2axx s TRP 22 N 5.73 3.32 -0.10 4.92 0.52 -1.05 -1.99 118.94 130.30 2axx s TRP 22 Ca 0.49 -0.09 -0.14 0.00 0.02 0.00 0.00 56.10 56.38 2axx s TRP 22 Cb -0.10 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2axx s TRP 22 CO 0.24 0.32 0.35 0.14 0.02 0.00 0.00 176.95 178.03 2axx s VAL 23 N -2.05 0.02 -0.44 4.03 -7.23 -0.45 -0.29 120.40 113.98 2axx s VAL 23 Ca 0.37 -0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 2axx s VAL 23 Cb -0.09 -0.55 0.05 0.00 0.56 0.00 0.00 36.38 36.36 2axx s VAL 23 CO 0.29 -0.08 0.35 0.27 -0.31 0.00 0.00 175.10 175.62 2axx s ILE 24 N -0.30 5.17 -0.28 -0.62 -5.25 -1.04 -1.36 121.20 117.53 2axx s ILE 24 Ca -0.04 -0.92 0.02 0.00 -0.99 0.00 0.00 60.65 58.71 2axx s ILE 24 Cb -0.03 -4.00 0.06 0.00 2.95 0.00 0.00 42.46 41.43 2axx s ILE 24 CO 0.02 -0.46 -0.07 -0.76 -1.79 0.00 0.00 174.94 171.87 2axx s LEU 25 N 1.64 3.64 0.00 0.37 1.43 -1.17 -2.80 118.68 121.79 2axx s LEU 25 Ca 0.04 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2axx s LEU 25 Cb -0.22 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2axx s LEU 25 CO 0.08 -0.22 0.00 1.41 0.23 0.00 0.00 176.35 177.85 2axx n HIS 26 N 4.47 -1.36 -1.17 0.29 8.25 -1.26 -3.90 115.22 120.54 2axx n HIS 26 Ca -0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.07 2axx n HIS 26 Cb 0.42 0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.80 1.31 -3.65 4.41 8.25 -1.26 -4.68 115.22 118.80 2axx n HIS 27 Ca 0.00 -2.36 -0.01 0.00 -0.26 0.00 0.00 57.72 55.08 2axx n HIS 27 Cb 0.00 -2.08 -0.07 0.00 1.12 0.00 0.00 29.99 28.96 2axx n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2axx s LYS 28 N 1.61 0.14 0.07 -0.41 -2.85 -1.25 -4.65 119.74 112.40 2axx s LYS 28 Ca 0.69 0.20 -0.11 0.00 -1.00 0.00 0.00 55.97 55.74 2axx s LYS 28 Cb 0.24 0.05 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 2axx s LYS 28 CO -0.03 -0.02 0.41 0.08 0.10 0.00 0.00 175.35 175.89 2axx s VAL 29 N 0.60 5.06 -0.05 1.79 1.01 0.54 -3.03 120.40 126.33 2axx s VAL 29 Ca -0.01 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.58 2axx s VAL 29 Cb -0.04 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2axx s VAL 29 CO -0.12 0.35 -0.15 -0.31 0.00 0.00 0.00 175.10 174.87 2axx s TYR 30 N -1.33 1.57 -0.15 5.22 2.02 -0.47 -2.25 117.35 121.97 2axx s TYR 30 Ca 0.31 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 2axx s TYR 30 Cb -0.15 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2axx s TYR 30 CO 0.17 -0.18 0.21 0.34 -1.57 0.00 0.00 175.55 174.52 2axx s ASP 31 N 0.17 6.38 -0.14 2.29 -1.08 -1.14 -1.35 116.67 121.80 2axx s ASP 31 Ca -0.06 0.45 0.15 0.00 -0.52 0.00 0.00 52.55 52.57 2axx s ASP 31 Cb -0.12 -2.13 0.37 0.00 -1.46 0.00 0.00 42.92 39.58 2axx s ASP 31 CO 0.02 0.23 1.18 0.18 0.52 0.00 0.00 175.17 177.31 2axx n LEU 32 N 2.95 2.10 0.24 -1.34 4.77 -0.84 -4.84 117.00 120.04 2axx n LEU 32 Ca -0.16 -3.16 0.08 0.00 -0.03 0.00 0.00 56.01 52.74 2axx n LEU 32 Cb 0.53 -0.36 0.59 0.00 -2.33 0.00 0.00 43.42 41.85 2axx n LEU 32 CO 0.36 1.01 0.96 0.74 -1.33 0.00 0.00 177.39 179.14 2axx h THR 33 N 2.48 0.98 -0.23 -5.08 2.02 -1.94 0.11 112.91 111.25 2axx h THR 33 Ca -0.05 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2axx h THR 33 Cb 1.21 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2axx h THR 33 CO 0.02 0.12 -0.01 0.29 0.37 0.00 0.00 175.52 176.31 2axx n LYS 34 N -4.24 2.48 0.00 6.66 5.02 -1.26 -4.53 118.16 122.29 2axx n LYS 34 Ca -0.03 -2.86 0.01 0.00 -2.02 0.00 0.00 58.31 53.41 2axx n LYS 34 Cb 0.20 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2axx n PHE 35 N -0.76 0.00 0.01 2.13 7.35 0.31 -4.76 117.46 121.74 2axx n PHE 35 Ca 0.22 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.85 2axx n PHE 35 Cb 0.88 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.67 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 0.10 -0.68 -0.47 -2.13 3.38 -1.57 0.20 115.31 114.15 2axx h LEU 36 Ca 0.00 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2axx h LEU 36 Cb 0.04 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2axx h LEU 36 CO 0.00 -0.20 -0.02 -0.33 0.09 0.00 0.00 178.44 177.98 2axx h GLU 37 N -0.25 0.84 -0.89 1.13 5.08 -1.89 -2.14 114.58 116.45 2axx h GLU 37 Ca 0.01 -0.28 0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2axx h GLU 37 Cb 0.28 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 2axx h GLU 37 CO -0.16 0.90 0.51 0.93 -1.00 0.00 0.00 179.01 180.19 2axx h GLU 38 N 0.69 0.74 -6.26 2.33 4.39 -1.78 -3.43 114.58 111.25 2axx h GLU 38 Ca 0.13 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 59.11 2axx h GLU 38 Cb 0.54 -0.17 0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2axx h GLU 38 CO 0.03 0.49 0.73 1.58 -1.16 0.00 0.00 179.01 180.68 2axx n HIS 39 N -4.77 1.90 0.20 4.33 -0.00 0.67 -4.85 115.22 112.70 2axx n HIS 39 Ca 0.17 0.47 0.07 0.00 0.46 0.00 0.00 57.72 58.89 2axx n HIS 39 Cb 0.39 -2.45 0.57 0.00 -0.12 0.00 0.00 29.99 28.39 2axx n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 40 N 6.23 0.12 0.00 1.57 0.13 -1.90 0.15 132.00 138.30 2axx h PRO 40 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2axx h PRO 40 Cb 1.31 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2axx h PRO 40 CO 0.88 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.16 2axx n GLY 41 N -1.45 -1.46 0.00 1.56 0.00 -1.26 -5.04 105.19 97.53 2axx n GLY 41 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.46 0.85 0.08 -0.02 0.00 0.54 -4.57 105.19 103.53 2axx n GLY 42 Ca 0.08 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.07 -0.16 1.61 4.22 -1.64 -3.35 114.58 115.19 2axx h GLU 43 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 2axx h GLU 43 Cb 0.00 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2axx h GLU 43 CO 0.00 0.55 -0.01 1.49 -2.18 0.00 0.00 179.01 178.86 2axx h GLU 44 N -0.81 0.04 -0.54 1.92 4.81 -1.87 0.24 114.58 118.36 2axx h GLU 44 Ca -0.01 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2axx h GLU 44 Cb 0.65 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2axx h GLU 44 CO 0.01 0.03 0.38 -0.39 -0.73 0.00 0.00 179.01 178.31 2axx h VAL 45 N 0.04 0.79 0.00 0.32 -1.51 -1.81 0.38 116.25 114.46 2axx h VAL 45 Ca 0.08 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.49 2axx h VAL 45 Cb 0.10 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2axx h VAL 45 CO -0.14 0.03 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.14 2axx h LEU 46 N 0.14 0.01 0.00 4.19 -0.00 -0.81 -3.35 115.31 115.48 2axx h LEU 46 Ca 0.26 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 2axx h LEU 46 Cb 0.84 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2axx h LEU 46 CO -0.03 0.87 0.00 -1.14 -0.00 0.00 0.00 178.44 178.14 2axx n ARG 47 N -4.66 0.04 -0.03 1.13 0.00 0.40 -3.60 116.66 109.93 2axx n ARG 47 Ca -0.10 0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 57.75 2axx n ARG 47 Cb 0.43 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.32 2axx n ARG 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2axx h GLU 48 N 0.00 -0.32 0.00 -0.14 4.39 -0.43 -3.36 114.58 114.72 2axx h GLU 48 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2axx h GLU 48 Cb 0.38 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2axx h GLU 48 CO 0.00 -0.21 -0.02 1.96 -1.16 0.00 0.00 179.01 179.57 2axx h GLN 49 N -0.33 0.00 -3.57 2.33 1.08 -1.81 -3.51 115.11 109.29 2axx h GLN 49 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2axx h GLN 49 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2axx h GLN 49 CO -0.32 0.00 -0.82 0.00 -0.95 0.00 0.00 178.83 176.74 2axx n ALA 50 N -2.27 -1.82 -4.02 3.87 0.00 -1.24 -4.82 120.51 110.21 2axx n ALA 50 Ca -0.00 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 2axx n ALA 50 Cb 0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 2axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2axx n GLY 51 N -2.10 -0.46 3.72 0.00 0.00 0.60 -4.93 105.19 102.02 2axx n GLY 51 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 2axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2axx s GLY 52 N -4.04 -0.28 -0.62 -0.02 0.00 -1.26 -4.34 107.32 96.76 2axx s GLY 52 Ca 0.19 0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.97 2axx s GLY 52 CO 0.93 0.04 1.85 2.09 0.00 0.00 0.00 173.10 178.01 2axx n ASP 53 N -0.47 2.37 0.00 1.64 5.75 -1.26 -2.49 116.55 122.09 2axx n ASP 53 Ca -0.07 -2.59 0.08 0.00 -0.01 0.00 0.00 54.79 52.20 2axx n ASP 53 Cb 0.61 -0.98 0.36 0.00 -1.03 0.00 0.00 41.12 40.08 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2axx n ALA 54 N 7.39 1.79 -0.23 2.12 0.00 -1.12 -3.73 120.51 126.72 2axx n ALA 54 Ca 0.47 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 2axx n ALA 54 Cb 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 0.13 -0.39 0.00 2.02 -1.82 0.13 112.91 112.97 2axx h THR 55 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2axx h THR 55 Cb 0.21 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 2axx h THR 55 CO 0.00 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.50 2axx h GLU 56 N -0.15 0.04 0.11 6.66 5.08 -1.93 0.24 114.58 124.64 2axx h GLU 56 Ca 0.24 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2axx h GLU 56 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2axx h GLU 56 CO -0.73 0.03 -0.08 -0.97 -1.00 0.00 0.00 179.01 176.26 2axx h ASN 57 N 0.04 -0.20 -0.70 1.42 -1.24 -1.50 0.11 115.58 113.52 2axx h ASN 57 Ca 0.19 0.02 0.11 0.00 0.71 0.00 0.00 56.30 57.33 2axx h ASN 57 Cb 0.29 0.06 -0.08 0.00 0.73 0.00 0.00 38.32 39.32 2axx h ASN 57 CO -0.37 -0.13 0.29 0.15 -1.29 0.00 0.00 177.43 176.08 2axx h PHE 58 N -0.19 0.51 0.14 0.67 3.04 0.00 0.24 116.94 121.35 2axx h PHE 58 Ca -0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2axx h PHE 58 Cb 0.17 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.56 2axx h PHE 58 CO -0.09 0.12 -0.07 0.93 -2.02 0.00 0.00 178.31 177.18 2axx h GLU 59 N 0.48 -0.18 -0.81 1.11 4.39 -0.16 -2.07 114.58 117.33 2axx h GLU 59 Ca 0.36 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.29 2axx h GLU 59 Cb 0.48 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2axx h GLU 59 CO -0.34 0.26 0.57 0.22 -1.16 0.00 0.00 179.01 178.56 2axx h ASP 60 N -0.72 0.13 1.81 1.42 3.58 -0.60 0.11 116.42 122.15 2axx h ASP 60 Ca -0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2axx h ASP 60 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2axx h ASP 60 CO 0.03 0.05 0.00 0.58 -2.88 0.00 0.00 179.24 177.02 2axx h VAL 61 N 0.13 0.00 -3.56 2.25 2.07 -0.31 -3.49 116.25 113.35 2axx h VAL 61 Ca 0.40 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2axx h VAL 61 Cb 1.38 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2axx h VAL 61 CO -0.06 0.00 -0.33 0.61 0.02 0.00 0.00 177.57 177.81 2axx n GLY 62 N 0.99 -3.36 2.95 2.17 0.00 0.39 -5.06 105.19 103.27 2axx n GLY 62 Ca 0.04 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2axx n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2axx s HIS 63 N -0.34 2.45 0.10 1.61 3.76 -1.24 -5.03 115.29 116.60 2axx s HIS 63 Ca -0.03 -1.79 -0.16 0.00 -0.15 0.00 0.00 55.06 52.93 2axx s HIS 63 Cb 0.00 -1.60 0.06 0.00 1.11 0.00 0.00 32.58 32.15 2axx s HIS 63 CO 0.21 -0.78 0.78 0.45 -0.85 0.00 0.00 174.74 174.55 2axx n SER 64 N 4.66 -1.18 0.00 1.40 2.88 -1.26 -4.58 113.62 115.54 2axx n SER 64 Ca -0.12 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.86 2axx n SER 64 Cb 0.44 1.90 0.00 0.00 -0.75 0.00 0.00 64.21 65.80 2axx n SER 64 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2axx n THR 65 N -0.55 0.00 0.11 2.46 -1.04 -1.26 -3.61 114.28 110.40 2axx n THR 65 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2axx n THR 65 Cb 0.42 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 2axx n THR 65 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2axx n ASP 66 N -0.67 -2.05 -0.24 8.00 2.03 -1.26 -4.93 116.55 117.43 2axx n ASP 66 Ca 0.00 0.57 0.08 0.00 0.52 0.00 0.00 54.79 55.96 2axx n ASP 66 Cb 0.35 2.11 0.34 0.00 -0.72 0.00 0.00 41.12 43.21 2axx n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2axx h ALA 67 N 0.00 1.72 -0.74 -1.67 0.00 -1.89 -0.45 119.26 116.23 2axx h ALA 67 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2axx h ALA 67 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 2axx h ALA 67 CO 0.00 0.11 -0.44 2.89 0.00 0.00 0.00 179.25 181.82 2axx n ARG 68 N -4.51 -0.33 -0.00 0.00 1.85 -1.26 -0.06 116.66 112.35 2axx n ARG 68 Ca 0.14 1.13 -0.21 0.00 -1.00 0.00 0.00 57.85 57.91 2axx n ARG 68 Cb 0.31 -1.67 -0.14 0.00 -1.05 0.00 0.00 32.46 29.92 2axx n ARG 68 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2axx h GLU 69 N 0.00 0.21 -0.95 2.89 4.39 -1.76 -3.29 114.58 116.08 2axx h GLU 69 Ca 0.12 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.53 2axx h GLU 69 Cb 0.30 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 2axx h GLU 69 CO -0.70 1.17 0.61 1.25 -1.16 0.00 0.00 179.01 180.19 2axx h LEU 70 N -0.39 0.95 0.11 1.33 5.85 -0.82 0.17 115.31 122.50 2axx h LEU 70 Ca -0.29 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2axx h LEU 70 Cb 1.68 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 2axx h LEU 70 CO 0.04 0.60 -0.34 0.28 -0.34 0.00 0.00 178.44 178.68 2axx h SER 71 N 1.07 -0.98 -0.77 1.25 0.02 -0.61 -2.32 113.55 111.21 2axx h SER 71 Ca 0.41 0.11 0.12 0.00 -0.84 0.00 0.00 61.79 61.60 2axx h SER 71 Cb 0.22 0.37 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 2axx h SER 71 CO -0.16 -0.42 0.36 0.11 -1.14 0.00 0.00 176.83 175.57 2axx h LYS 72 N -0.56 0.54 -0.01 3.45 1.79 -0.85 0.27 116.57 121.20 2axx h LYS 72 Ca 0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2axx h LYS 72 Cb 0.60 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2axx h LYS 72 CO -0.21 0.36 0.13 1.15 -1.08 0.00 0.00 179.45 179.80 2axx h THR 73 N 0.56 0.02 -0.35 -0.16 2.02 -0.36 -0.35 112.91 114.28 2axx h THR 73 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2axx h THR 73 Cb 0.53 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2axx h THR 73 CO -0.34 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.33 2axx n TYR 74 N -3.04 0.46 -1.82 3.16 4.01 0.89 -4.99 117.16 115.83 2axx n TYR 74 Ca -0.02 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.00 2axx n TYR 74 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.22 2.97 -0.25 -0.72 -1.16 -0.14 -2.91 121.20 117.77 2axx s ILE 75 Ca 0.32 0.29 -0.17 0.00 -0.51 0.00 0.00 60.65 60.58 2axx s ILE 75 Cb 0.18 -3.19 -0.15 0.00 0.61 0.00 0.00 42.46 39.92 2axx s ILE 75 CO 0.25 -0.01 -0.15 2.30 -2.81 0.00 0.00 174.94 174.52 2axx n ILE 76 N 5.02 1.53 -2.21 2.00 -5.35 -0.95 -4.94 119.36 114.46 2axx n ILE 76 Ca 0.17 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2axx n ILE 76 Cb 0.40 -1.94 0.00 0.00 -1.74 0.00 0.00 39.64 36.36 2axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2axx n GLY 77 N 1.32 1.53 3.18 3.28 0.00 -1.22 -4.53 105.19 108.76 2axx n GLY 77 Ca -0.47 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 2axx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2axx s GLU 78 N 1.49 0.87 0.09 1.61 2.02 -0.74 -0.34 118.70 123.71 2axx s GLU 78 Ca 0.00 -1.31 -0.31 0.00 0.02 0.00 0.00 54.97 53.37 2axx s GLU 78 Cb 0.00 -0.35 -0.08 0.00 0.10 0.00 0.00 34.13 33.80 2axx s GLU 78 CO 0.00 0.02 1.45 -0.51 0.02 0.00 0.00 175.26 176.24 2axx s LEU 79 N -2.92 4.36 0.12 1.80 1.43 -1.26 -0.51 118.68 121.70 2axx s LEU 79 Ca 0.11 2.33 -0.34 0.00 -1.03 0.00 0.00 54.13 55.21 2axx s LEU 79 Cb 0.03 -3.58 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 2axx s LEU 79 CO -0.03 -0.72 0.92 1.57 0.23 0.00 0.00 176.35 178.32 2axx n HIS 80 N 4.50 0.48 0.28 0.29 -0.00 0.41 -4.49 115.22 116.68 2axx n HIS 80 Ca 0.13 0.91 0.13 0.00 -0.00 0.00 0.00 57.72 58.89 2axx n HIS 80 Cb 0.42 -2.11 0.81 0.00 -0.00 0.00 0.00 29.99 29.11 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 2.46 0.00 -0.08 1.57 0.13 -1.91 0.68 132.00 134.84 2axx h PRO 81 Ca -0.41 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2axx h PRO 81 Cb 1.41 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2axx h PRO 81 CO 0.64 0.05 -0.18 0.22 -0.23 0.00 0.00 178.00 178.50 2axx h ASP 82 N 0.00 -0.58 0.17 1.44 1.82 -1.99 0.26 116.42 117.53 2axx h ASP 82 Ca -0.00 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2axx h ASP 82 Cb 0.12 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2axx h ASP 82 CO 0.01 -0.15 -0.08 -0.78 -1.61 0.00 0.00 179.24 176.63 2axx h ASP 83 N -0.16 -0.20 -0.29 2.28 3.58 -1.76 -3.23 116.42 116.63 2axx h ASP 83 Ca 0.02 -0.25 0.09 0.00 0.42 0.00 0.00 57.03 57.30 2axx h ASP 83 Cb 0.21 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2axx h ASP 83 CO -0.17 0.17 0.21 -0.09 -2.88 0.00 0.00 179.24 176.48 2axx h ARG 84 N -0.59 0.00 0.00 0.28 1.12 -0.86 0.32 114.38 114.65 2axx h ARG 84 Ca -0.02 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.80 2axx h ARG 84 Cb 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 2axx h ARG 84 CO 0.04 0.00 -0.22 0.66 -3.11 0.00 0.00 179.97 177.34 2axx h SER 85 N 0.00 0.00 -0.87 -3.80 4.64 -0.50 -3.37 113.55 109.66 2axx h SER 85 Ca 0.14 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.12 2axx h SER 85 Cb 0.56 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.35 2axx h SER 85 CO -0.00 0.22 -0.89 1.17 -0.87 0.00 0.00 176.83 176.46 2axx n LYS 86 N -4.21 1.09 -0.31 4.77 4.81 0.96 -5.03 118.16 120.24 2axx n LYS 86 Ca -0.02 -2.75 -0.08 0.00 -0.87 0.00 0.00 58.31 54.58 2axx n LYS 86 Cb 0.28 -1.05 -0.07 0.00 0.02 0.00 0.00 35.03 34.21 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 -0.04 -0.51 -3.63 3.15 -0.00 -0.26 -4.81 119.36 113.26 2axx n ILE 87 Ca 0.10 2.01 -0.04 0.00 -0.00 0.00 0.00 62.75 64.82 2axx n ILE 87 Cb 0.77 -2.51 -0.01 0.00 -0.00 0.00 0.00 39.64 37.89 2axx n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2axx s ALA 88 N -5.21 -1.93 -0.24 -1.39 0.00 -1.26 -5.01 121.76 106.73 2axx s ALA 88 Ca -0.09 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 2axx s ALA 88 Cb 0.08 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2axx s ALA 88 CO 0.46 -0.87 1.13 0.15 0.00 0.00 0.00 175.76 176.63 2axx s LYS 89 N -2.85 4.18 -0.14 0.00 3.01 -1.26 -5.01 119.74 117.66 2axx s LYS 89 Ca 0.10 1.37 -0.29 0.00 -1.01 0.00 0.00 55.97 56.14 2axx s LYS 89 Cb 0.00 -3.71 -0.02 0.00 -1.01 0.00 0.00 37.83 33.09 2axx s LYS 89 CO -0.03 -0.75 1.30 -1.25 0.51 0.00 0.00 175.35 175.13 2axx s PRO 90 N 3.45 4.24 -0.28 -1.68 0.04 -1.26 -4.98 135.00 134.53 2axx s PRO 90 Ca 0.48 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.07 2axx s PRO 90 Cb -0.16 -3.77 0.09 0.00 0.04 0.00 0.00 34.50 30.69 2axx s PRO 90 CO 0.12 -0.70 0.73 -1.12 0.04 0.00 0.00 177.00 176.07 2axx s SER 91 N 2.08 -0.87 -1.09 6.66 0.01 -1.26 -4.94 113.70 114.29 2axx s SER 91 Ca 0.57 1.42 -0.10 0.00 1.31 0.00 0.00 55.95 59.15 2axx s SER 91 Cb -0.23 1.37 0.09 0.00 0.21 0.00 0.00 66.02 67.46 2axx s SER 91 CO 0.17 -0.23 0.36 -1.84 0.41 0.00 0.00 173.24 172.12 2axx n GLU 92 N 4.02 -2.55 -2.96 12.44 0.28 -1.26 -4.92 120.64 125.69 2axx n GLU 92 Ca -0.19 0.27 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 2axx n GLU 92 Cb 0.58 -4.88 -0.06 0.00 1.43 0.00 0.00 31.44 28.51 2axx n GLU 92 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2axx s THR 93 N -2.75 4.37 0.00 3.84 2.01 -1.26 -5.31 115.64 116.54 2axx s THR 93 Ca 0.39 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.02 2axx s THR 93 Cb -0.22 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2axx s THR 93 CO 0.48 0.37 0.01 -0.11 -0.69 0.00 0.00 174.62 174.67