#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 4.34 -4.87 -1.24 3.00 -1.26 -4.92 118.16 113.20 2axx n LYS 2 Ca 0.00 -3.80 -0.26 0.00 -0.00 0.00 0.00 58.31 54.25 2axx n LYS 2 Cb 0.00 -2.70 -0.16 0.00 0.00 0.00 0.00 35.03 32.18 2axx n LYS 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2axx s ASP 3 N -0.01 2.17 0.00 3.14 -4.77 -1.26 -5.14 116.67 110.80 2axx s ASP 3 Ca 0.43 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 2axx s ASP 3 Cb 0.13 -0.37 0.00 0.00 -1.09 0.00 0.00 42.92 41.60 2axx s ASP 3 CO -0.03 0.20 0.00 0.55 0.70 0.00 0.00 175.17 176.59 2axx n VAL 4 N 2.80 0.00 -2.19 2.11 3.14 -1.26 -5.00 118.33 117.93 2axx n VAL 4 Ca -0.16 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.83 2axx n VAL 4 Cb 0.53 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.34 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2axx n LYS 5 N 0.00 3.97 -3.68 1.45 4.76 -1.26 -4.97 118.16 118.42 2axx n LYS 5 Ca 0.00 -3.90 -0.36 0.00 -2.87 0.00 0.00 58.31 51.18 2axx n LYS 5 Cb 0.00 -2.37 -0.08 0.00 -1.84 0.00 0.00 35.03 30.74 2axx n LYS 5 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2axx s TYR 6 N -3.81 3.39 0.04 2.13 2.02 -1.26 0.16 117.35 120.02 2axx s TYR 6 Ca 0.47 0.34 0.06 0.00 -0.37 0.00 0.00 57.07 57.57 2axx s TYR 6 Cb 0.32 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2axx s TYR 6 CO -0.26 0.22 -0.17 0.71 -1.57 0.00 0.00 175.55 174.48 2axx s TYR 7 N 0.57 1.48 0.51 2.71 2.02 -0.20 -4.87 117.35 119.58 2axx s TYR 7 Ca 0.09 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2axx s TYR 7 Cb -0.12 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 2axx s TYR 7 CO 0.00 0.05 0.77 0.95 -1.57 0.00 0.00 175.55 175.76 2axx s THR 8 N -0.79 3.77 0.08 -0.71 -4.23 -1.26 -0.39 115.64 112.11 2axx s THR 8 Ca 0.04 -0.30 -0.31 0.00 -1.18 0.00 0.00 61.69 59.94 2axx s THR 8 Cb -0.08 -3.44 -0.17 0.00 1.34 0.00 0.00 72.50 70.15 2axx s THR 8 CO 0.01 -0.37 1.64 -0.07 -0.54 0.00 0.00 174.62 175.29 2axx h LEU 9 N 0.14 -0.70 -0.49 4.79 -0.00 -1.98 0.55 115.31 117.62 2axx h LEU 9 Ca -0.46 0.04 0.09 0.00 -0.00 0.00 0.00 57.88 57.55 2axx h LEU 9 Cb 1.26 0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 42.04 2axx h LEU 9 CO 0.58 -0.46 0.05 -0.33 -0.00 0.00 0.00 178.44 178.28 2axx h GLU 10 N -0.74 0.17 0.30 1.13 5.08 -1.97 0.36 114.58 118.91 2axx h GLU 10 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2axx h GLU 10 Cb 0.59 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2axx h GLU 10 CO 0.08 0.11 -0.31 1.49 -1.00 0.00 0.00 179.01 179.39 2axx h GLU 11 N 0.17 -0.61 -0.07 2.33 4.57 -1.91 -2.10 114.58 116.97 2axx h GLU 11 Ca 0.25 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2axx h GLU 11 Cb 0.36 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2axx h GLU 11 CO -0.37 -0.41 0.06 0.82 -1.18 0.00 0.00 179.01 177.93 2axx h ILE 12 N -0.64 0.81 0.00 2.32 1.08 -0.05 0.16 117.51 121.20 2axx h ILE 12 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2axx h ILE 12 Cb 0.58 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2axx h ILE 12 CO -0.07 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.39 2axx n GLN 13 N -4.28 0.24 0.05 2.37 6.02 0.12 -2.29 117.38 119.60 2axx n GLN 13 Ca -0.01 0.12 -0.21 0.00 -0.01 0.00 0.00 57.00 56.89 2axx n GLN 13 Cb 0.16 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.77 2axx n GLN 13 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2axx h LYS 14 N 0.00 0.32 -3.56 -1.09 6.56 -0.84 -3.41 116.57 114.55 2axx h LYS 14 Ca 0.00 -0.55 -0.65 0.00 -1.06 0.00 0.00 60.65 58.40 2axx h LYS 14 Cb 0.17 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2axx h LYS 14 CO 0.00 1.26 3.30 0.72 -2.06 0.00 0.00 179.45 182.67 2axx n HIS 15 N -4.01 2.65 -2.61 -1.35 8.25 -0.97 -3.93 115.22 113.24 2axx n HIS 15 Ca -0.17 -2.79 -0.02 0.00 -0.26 0.00 0.00 57.72 54.47 2axx n HIS 15 Cb 0.88 -2.35 0.11 0.00 1.12 0.00 0.00 29.99 29.76 2axx n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2axx n LYS 16 N 4.90 1.24 -3.90 -0.41 2.85 -1.06 -1.47 118.16 120.31 2axx n LYS 16 Ca 0.62 -1.28 -0.08 0.00 -1.05 0.00 0.00 58.31 56.52 2axx n LYS 16 Cb 0.29 0.36 -0.04 0.00 -0.65 0.00 0.00 35.03 34.99 2axx n LYS 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2axx s ASP 17 N -1.22 -0.18 0.00 -5.58 2.15 -1.25 -4.92 116.67 105.66 2axx s ASP 17 Ca 0.09 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.34 2axx s ASP 17 Cb 0.40 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.66 2axx s ASP 17 CO -0.11 -1.20 0.00 -0.24 -0.17 0.00 0.00 175.17 173.44 2axx n SER 18 N -0.40 0.00 0.00 -0.34 2.88 -1.26 -3.11 113.62 111.39 2axx n SER 18 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2axx n SER 18 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2axx n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2axx n LYS 19 N 0.00 0.00 -1.73 -1.46 4.81 -1.26 -5.06 118.16 113.47 2axx n LYS 19 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 2axx n LYS 19 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2axx s SER 20 N -0.54 4.33 -0.41 3.14 0.15 -1.18 -4.76 113.70 114.43 2axx s SER 20 Ca 0.00 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 2axx s SER 20 Cb 0.00 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2axx s SER 20 CO 0.00 -3.45 0.26 -0.89 1.20 0.00 0.00 173.24 170.36 2axx s THR 21 N 13.10 4.64 0.28 6.45 2.01 -1.26 -2.57 115.64 138.29 2axx s THR 21 Ca 0.85 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.87 2axx s THR 21 Cb -0.11 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2axx s THR 21 CO 0.06 -0.39 0.31 0.26 -0.69 0.00 0.00 174.62 174.17 2axx s TRP 22 N 1.54 3.13 -0.02 4.92 0.52 -0.54 -2.64 118.94 125.85 2axx s TRP 22 Ca 0.03 -0.16 -0.13 0.00 0.02 0.00 0.00 56.10 55.86 2axx s TRP 22 Cb -0.21 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2axx s TRP 22 CO 0.06 0.32 0.28 0.14 0.02 0.00 0.00 176.95 177.76 2axx s VAL 23 N -2.15 0.05 -0.46 4.03 -7.23 -0.52 -0.25 120.40 113.87 2axx s VAL 23 Ca 0.37 -0.45 -0.08 0.00 -1.81 0.00 0.00 61.98 60.02 2axx s VAL 23 Cb -0.08 -0.55 0.12 0.00 0.56 0.00 0.00 36.38 36.43 2axx s VAL 23 CO 0.27 -0.25 0.31 0.27 -0.31 0.00 0.00 175.10 175.40 2axx s ILE 24 N -1.14 3.99 -0.37 -0.62 -5.25 -1.15 -0.96 121.20 115.70 2axx s ILE 24 Ca -0.12 -1.87 -0.11 0.00 -0.99 0.00 0.00 60.65 57.56 2axx s ILE 24 Cb -0.05 -3.65 0.03 0.00 2.95 0.00 0.00 42.46 41.73 2axx s ILE 24 CO 0.03 -0.76 0.21 -0.76 -1.79 0.00 0.00 174.94 171.87 2axx s LEU 25 N 1.29 4.70 0.00 0.37 1.43 -0.73 -3.39 118.68 122.35 2axx s LEU 25 Ca 0.07 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2axx s LEU 25 Cb -0.25 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2axx s LEU 25 CO -0.02 -0.38 0.00 1.41 0.23 0.00 0.00 176.35 177.60 2axx n HIS 26 N 5.00 -0.63 -0.97 0.29 8.25 -1.26 -3.37 115.22 122.54 2axx n HIS 26 Ca -0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 2axx n HIS 26 Cb 0.46 0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.61 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 0.00 0.55 -3.60 4.41 8.25 -1.26 -4.76 115.22 118.80 2axx n HIS 27 Ca 0.00 -1.72 -0.12 0.00 -0.26 0.00 0.00 57.72 55.62 2axx n HIS 27 Cb 0.00 -1.69 -0.06 0.00 1.12 0.00 0.00 29.99 29.36 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 1.51 0.70 -0.20 -0.41 1.02 -1.22 -4.49 119.74 116.66 2axx s LYS 28 Ca 0.61 0.48 -0.11 0.00 0.02 0.00 0.00 55.97 56.97 2axx s LYS 28 Cb 0.26 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.85 2axx s LYS 28 CO -0.01 -0.15 0.17 0.08 -0.92 0.00 0.00 175.35 174.51 2axx s VAL 29 N -0.39 5.38 -0.03 3.17 1.01 0.34 -1.77 120.40 128.10 2axx s VAL 29 Ca -0.02 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.30 2axx s VAL 29 Cb -0.03 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 2axx s VAL 29 CO 0.00 0.41 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 2axx s TYR 30 N 0.50 2.26 -0.17 5.22 2.02 -0.14 -2.07 117.35 124.98 2axx s TYR 30 Ca 0.10 -0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 56.22 2axx s TYR 30 Cb -0.12 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 2axx s TYR 30 CO 0.00 -0.10 0.04 0.34 -1.57 0.00 0.00 175.55 174.26 2axx s ASP 31 N -0.42 5.48 -0.08 2.29 -1.08 -0.84 -1.44 116.67 120.58 2axx s ASP 31 Ca 0.05 0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.26 2axx s ASP 31 Cb -0.11 -1.90 0.18 0.00 -1.46 0.00 0.00 42.92 39.63 2axx s ASP 31 CO 0.01 0.20 1.08 0.18 0.52 0.00 0.00 175.17 177.15 2axx n LEU 32 N 3.38 1.59 -0.16 -1.34 4.77 -1.08 -4.82 117.00 119.33 2axx n LEU 32 Ca -0.17 -2.33 -0.02 0.00 -0.03 0.00 0.00 56.01 53.46 2axx n LEU 32 Cb 0.52 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2axx n LEU 32 CO 0.34 0.54 0.88 0.74 -1.33 0.00 0.00 177.39 178.57 2axx h THR 33 N 2.10 0.65 -0.34 -5.08 2.02 -1.85 0.22 112.91 110.63 2axx h THR 33 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2axx h THR 33 Cb 1.08 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2axx h THR 33 CO 0.00 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.21 2axx n LYS 34 N -5.17 1.92 0.00 6.66 5.02 -1.26 -3.75 118.16 121.57 2axx n LYS 34 Ca 0.06 -1.41 0.04 0.00 -2.02 0.00 0.00 58.31 54.98 2axx n LYS 34 Cb 0.27 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.64 0.00 0.10 2.13 7.35 0.56 -4.63 117.46 123.60 2axx n PHE 35 Ca 0.15 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.73 2axx n PHE 35 Cb 0.35 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.12 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 1.35 -0.98 -0.18 -2.13 3.38 -1.03 0.29 115.31 116.01 2axx h LEU 36 Ca 0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2axx h LEU 36 Cb 0.32 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2axx h LEU 36 CO 0.00 -0.37 -0.26 -0.33 0.09 0.00 0.00 178.44 177.57 2axx h GLU 37 N -0.52 0.50 -0.92 1.13 5.08 -1.86 -2.66 114.58 115.32 2axx h GLU 37 Ca -0.01 -0.29 0.19 0.00 -1.00 0.00 0.00 59.36 58.24 2axx h GLU 37 Cb 0.50 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2axx h GLU 37 CO -0.15 0.89 0.59 0.93 -1.00 0.00 0.00 179.01 180.28 2axx h GLU 38 N 0.15 0.53 -6.06 2.33 4.39 -1.78 -3.42 114.58 110.71 2axx h GLU 38 Ca 0.02 -0.03 -0.70 0.00 0.34 0.00 0.00 59.36 58.98 2axx h GLU 38 Cb 0.84 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2axx h GLU 38 CO 0.06 0.35 1.21 1.58 -1.16 0.00 0.00 179.01 181.06 2axx n HIS 39 N -4.57 1.76 -1.83 4.33 -0.00 0.10 -4.80 115.22 110.21 2axx n HIS 39 Ca 0.20 0.40 -0.32 0.00 0.46 0.00 0.00 57.72 58.46 2axx n HIS 39 Cb 0.62 -2.49 -0.06 0.00 -0.12 0.00 0.00 29.99 27.93 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 7.07 1.53 0.00 1.57 -0.04 -1.26 -0.82 135.00 143.05 2axx n PRO 40 Ca 0.36 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 2axx n PRO 40 Cb 0.17 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 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 5.50 0.82 0.00 0.55 0.00 -1.26 -5.17 105.19 105.62 2axx n GLY 41 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 2.80 0.08 -0.02 0.00 0.00 -4.84 105.19 103.21 2axx n GLY 42 Ca 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.15 1.61 4.22 -1.76 -3.36 114.58 115.14 2axx h GLU 43 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2axx h GLU 43 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2axx h GLU 43 CO 0.00 0.97 0.10 1.49 -2.18 0.00 0.00 179.01 179.39 2axx h GLU 44 N -1.00 0.19 -1.06 1.92 4.81 -1.91 0.42 114.58 117.94 2axx h GLU 44 Ca -0.14 -0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.37 2axx h GLU 44 Cb 1.10 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 2axx h GLU 44 CO -0.08 0.13 0.71 -0.39 -0.73 0.00 0.00 179.01 178.65 2axx h VAL 45 N 0.20 0.50 0.19 0.32 -1.51 -1.89 0.29 116.25 114.36 2axx h VAL 45 Ca 0.06 -0.08 -0.31 0.00 -1.23 0.00 0.00 66.70 65.13 2axx h VAL 45 Cb -0.02 0.24 0.02 0.00 -2.13 0.00 0.00 31.29 29.40 2axx h VAL 45 CO -0.02 0.04 -1.42 -0.07 -1.23 0.00 0.00 177.57 174.87 2axx h LEU 46 N 0.24 0.64 -0.54 4.19 3.38 -0.52 -3.32 115.31 119.38 2axx h LEU 46 Ca 0.56 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2axx h LEU 46 Cb 1.73 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2axx h LEU 46 CO -0.18 1.57 0.00 -1.14 0.09 0.00 0.00 178.44 178.78 2axx n ARG 47 N -3.62 1.36 0.38 1.13 0.63 0.90 -4.15 116.66 113.30 2axx n ARG 47 Ca -0.14 -0.54 -0.18 0.00 -0.92 0.00 0.00 57.85 56.06 2axx n ARG 47 Cb 1.07 -1.37 -0.09 0.00 0.45 0.00 0.00 32.46 32.52 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 1.13 -0.99 0.00 -0.14 4.39 -0.65 -3.39 114.58 114.92 2axx h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2axx h GLU 48 Cb 0.25 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2axx h GLU 48 CO 0.00 -0.66 -0.13 1.04 -1.16 0.00 0.00 179.01 178.10 2axx n GLN 49 N -5.55 0.09 -1.36 2.33 3.00 -1.26 -5.12 117.38 109.50 2axx n GLN 49 Ca -0.14 0.17 0.14 0.00 -0.01 0.00 0.00 57.00 57.16 2axx n GLN 49 Cb 0.43 -0.79 -0.08 0.00 0.00 0.00 0.00 30.24 29.81 2axx n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2axx n ALA 50 N -2.67 -3.35 -4.23 -1.58 0.00 -1.26 -4.84 120.51 102.59 2axx n ALA 50 Ca -0.02 0.80 -0.33 0.00 0.00 0.00 0.00 53.44 53.89 2axx n ALA 50 Cb 0.07 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 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 -4.06 -0.27 3.58 0.00 0.00 0.65 -4.85 105.19 100.23 2axx n GLY 51 Ca -0.08 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.22 -0.49 -0.62 -0.02 0.00 -1.26 -4.26 107.32 96.44 2axx s GLY 52 Ca 0.09 0.92 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 2axx s GLY 52 CO 0.98 0.53 2.20 -0.35 0.00 0.00 0.00 173.10 176.46 2axx s ASP 53 N -3.05 4.65 0.00 1.64 -1.08 -1.26 -2.92 116.67 114.65 2axx s ASP 53 Ca 0.16 0.49 0.27 0.00 -0.52 0.00 0.00 52.55 52.95 2axx s ASP 53 Cb 0.07 -2.52 0.90 0.00 -1.46 0.00 0.00 42.92 39.92 2axx s ASP 53 CO -0.07 -2.90 1.67 0.00 0.52 0.00 0.00 175.17 174.39 2axx n ALA 54 N 15.31 3.01 -0.26 3.66 0.00 -1.22 -4.34 120.51 136.67 2axx n ALA 54 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2axx n ALA 54 Cb 0.51 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 0.47 0.14 -0.80 0.00 2.02 -1.85 0.13 112.91 113.03 2axx h THR 55 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2axx h THR 55 Cb 0.45 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 2axx h THR 55 CO 0.00 0.00 0.32 -0.08 0.37 0.00 0.00 175.52 176.13 2axx h GLU 56 N -0.10 0.41 -0.11 6.66 4.81 -1.93 0.19 114.58 124.51 2axx h GLU 56 Ca 0.29 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 2axx h GLU 56 Cb 0.57 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2axx h GLU 56 CO -0.77 0.27 -0.70 -0.97 -0.73 0.00 0.00 179.01 176.11 2axx h ASN 57 N 0.42 0.81 -0.81 1.04 -0.00 -1.32 0.70 115.58 116.42 2axx h ASN 57 Ca 0.46 -0.65 0.01 0.00 -0.00 0.00 0.00 56.30 56.12 2axx h ASN 57 Cb 0.77 -0.24 -0.04 0.00 -0.00 0.00 0.00 38.32 38.80 2axx h ASN 57 CO -0.46 1.33 0.54 0.15 -0.00 0.00 0.00 177.43 179.00 2axx h PHE 58 N 0.34 1.02 -0.01 0.67 3.57 0.11 -2.80 116.94 119.84 2axx h PHE 58 Ca -0.06 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 2axx h PHE 58 Cb 1.34 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2axx h PHE 58 CO 0.10 0.64 -0.86 0.93 -2.23 0.00 0.00 178.31 176.89 2axx h GLU 59 N 1.10 0.28 -0.68 1.11 4.39 -0.63 0.23 114.58 120.37 2axx h GLU 59 Ca 0.30 -0.29 0.15 0.00 0.34 0.00 0.00 59.36 59.86 2axx h GLU 59 Cb -0.12 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.50 2axx h GLU 59 CO -0.07 0.98 0.07 0.22 -1.16 0.00 0.00 179.01 179.05 2axx h ASP 60 N 0.17 -0.18 1.40 1.42 1.82 -0.60 0.28 116.42 120.71 2axx h ASP 60 Ca -0.05 0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 2axx h ASP 60 Cb 1.48 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.73 2axx h ASP 60 CO 0.14 -0.10 -0.62 0.58 -1.61 0.00 0.00 179.24 177.63 2axx h VAL 61 N 0.17 0.53 0.00 2.25 2.07 -1.44 -3.48 116.25 116.34 2axx h VAL 61 Ca 0.37 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2axx h VAL 61 Cb 0.63 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2axx h VAL 61 CO -0.55 0.30 0.00 0.61 0.02 0.00 0.00 177.57 177.95 2axx n GLY 62 N 1.23 1.96 1.08 2.17 0.00 0.79 -4.89 105.19 107.53 2axx n GLY 62 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.93 -1.56 1.61 8.25 -1.25 -4.67 115.22 114.67 2axx n HIS 63 Ca 0.00 1.61 -0.31 0.00 -0.26 0.00 0.00 57.72 58.76 2axx n HIS 63 Cb 0.00 -2.63 0.07 0.00 1.12 0.00 0.00 29.99 28.54 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 -5.58 5.04 0.20 0.41 0.01 -1.26 -4.97 113.70 107.55 2axx s SER 64 Ca 0.00 1.50 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 2axx s SER 64 Cb 0.00 -2.32 0.14 0.00 0.21 0.00 0.00 66.02 64.05 2axx s SER 64 CO 0.00 -1.65 1.81 0.74 0.41 0.00 0.00 173.24 174.55 2axx h THR 65 N -0.86 1.23 -0.71 1.44 2.02 -2.01 -2.68 112.91 111.35 2axx h THR 65 Ca -0.45 -0.62 0.14 0.00 0.77 0.00 0.00 66.41 66.25 2axx h THR 65 Cb 1.23 0.28 -0.13 0.00 -1.74 0.00 0.00 68.15 67.79 2axx h THR 65 CO 0.58 0.27 -0.18 -0.78 0.37 0.00 0.00 175.52 175.77 2axx h ASP 66 N 1.04 -0.67 -0.79 4.18 1.82 -2.00 0.30 116.42 120.31 2axx h ASP 66 Ca 0.26 0.21 0.08 0.00 -0.39 0.00 0.00 57.03 57.19 2axx h ASP 66 Cb 0.08 0.44 -0.05 0.00 0.68 0.00 0.00 39.33 40.48 2axx h ASP 66 CO -0.04 -0.24 0.51 0.00 -1.61 0.00 0.00 179.24 177.87 2axx h ALA 67 N 1.70 1.69 -0.25 -0.78 0.00 -1.86 0.14 119.26 119.90 2axx h ALA 67 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2axx h ALA 67 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2axx h ALA 67 CO -0.73 0.17 0.06 0.00 0.00 0.00 0.00 179.25 178.75 2axx h ARG 68 N 0.80 0.40 -0.56 0.00 3.08 -0.35 0.29 114.38 118.03 2axx h ARG 68 Ca 0.35 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 2axx h ARG 68 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2axx h ARG 68 CO -0.13 0.50 0.33 0.93 -1.07 0.00 0.00 179.97 180.54 2axx h GLU 69 N 0.23 0.77 -0.77 0.04 5.08 -0.71 -2.25 114.58 116.96 2axx h GLU 69 Ca 0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2axx h GLU 69 Cb 0.28 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2axx h GLU 69 CO 0.00 0.56 0.49 1.25 -1.00 0.00 0.00 179.01 180.32 2axx h LEU 70 N 0.75 0.90 -0.73 1.33 5.85 -0.57 -1.56 115.31 121.29 2axx h LEU 70 Ca 0.20 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.05 2axx h LEU 70 Cb 0.00 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.69 2axx h LEU 70 CO -0.04 0.67 0.12 -1.28 -0.34 0.00 0.00 178.44 177.58 2axx h SER 71 N 1.05 -0.10 -0.76 1.25 0.87 0.18 -0.20 113.55 115.84 2axx h SER 71 Ca 0.28 0.16 0.08 0.00 -1.23 0.00 0.00 61.79 61.08 2axx h SER 71 Cb -0.09 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 2axx h SER 71 CO -0.06 -0.08 0.43 0.11 -0.53 0.00 0.00 176.83 176.70 2axx h LYS 72 N 0.21 0.74 -0.13 2.24 1.57 -1.09 0.26 116.57 120.37 2axx h LYS 72 Ca 0.41 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 2axx h LYS 72 Cb 0.70 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2axx h LYS 72 CO -0.55 0.49 0.22 1.15 -0.57 0.00 0.00 179.45 180.19 2axx h THR 73 N 0.76 0.29 -0.51 -0.16 2.02 -1.00 -0.59 112.91 113.72 2axx h THR 73 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 2axx h THR 73 Cb 0.27 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2axx h THR 73 CO -0.22 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.45 2axx n TYR 74 N -3.49 0.66 -2.26 3.16 4.01 0.85 -4.98 117.16 115.11 2axx n TYR 74 Ca 0.01 -0.34 -0.42 0.00 -0.16 0.00 0.00 57.90 56.98 2axx n TYR 74 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.29 3.72 -0.10 -0.72 2.07 -0.23 -1.98 121.20 122.66 2axx s ILE 75 Ca 0.41 1.16 0.11 0.00 -1.41 0.00 0.00 60.65 60.92 2axx s ILE 75 Cb 0.23 -3.74 -0.15 0.00 0.13 0.00 0.00 42.46 38.93 2axx s ILE 75 CO 0.31 0.03 0.08 2.30 -1.91 0.00 0.00 174.94 175.76 2axx n ILE 76 N 4.38 0.67 -3.43 2.00 -5.35 -0.88 -4.91 119.36 111.84 2axx n ILE 76 Ca 0.12 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2axx n ILE 76 Cb 0.44 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 2.20 0.59 3.20 3.28 0.00 -1.07 -4.85 105.19 108.54 2axx n GLY 77 Ca -0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.32 0.91 0.13 1.61 2.02 0.12 -0.51 118.70 122.67 2axx s GLU 78 Ca 0.00 -1.13 -0.31 0.00 0.02 0.00 0.00 54.97 53.56 2axx s GLU 78 Cb 0.00 -0.77 -0.08 0.00 0.10 0.00 0.00 34.13 33.38 2axx s GLU 78 CO 0.00 0.15 1.31 -1.17 0.02 0.00 0.00 175.26 175.57 2axx s LEU 79 N -2.23 4.39 0.22 1.80 2.96 -1.26 -1.03 118.68 123.53 2axx s LEU 79 Ca 0.04 2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 55.93 2axx s LEU 79 Cb -0.06 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 2axx s LEU 79 CO 0.02 -0.55 0.81 1.57 -1.32 0.00 0.00 176.35 176.88 2axx n HIS 80 N 3.46 0.44 0.20 5.38 -0.00 0.47 -4.78 115.22 120.38 2axx n HIS 80 Ca 0.09 0.84 0.05 0.00 -0.00 0.00 0.00 57.72 58.71 2axx n HIS 80 Cb 0.44 -2.11 0.26 0.00 -0.00 0.00 0.00 29.99 28.57 2axx n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2axx n PRO 81 N 1.03 0.05 0.29 1.57 -0.04 -1.26 -2.10 135.00 134.55 2axx n PRO 81 Ca 0.15 0.46 -0.18 0.00 -0.04 0.00 0.00 63.50 63.88 2axx n PRO 81 Cb 0.26 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 2axx n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2axx h ASP 82 N 0.00 -1.42 -0.46 3.54 3.58 -1.99 -3.13 116.42 116.54 2axx h ASP 82 Ca 0.00 0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 2axx h ASP 82 Cb 0.10 0.47 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 2axx h ASP 82 CO 0.00 -0.67 0.16 -0.67 -2.88 0.00 0.00 179.24 175.17 2axx n ASP 83 N -5.57 3.79 0.15 2.28 2.03 -0.89 -4.04 116.55 114.31 2axx n ASP 83 Ca -0.12 -2.75 0.06 0.00 0.52 0.00 0.00 54.79 52.51 2axx n ASP 83 Cb 0.47 -0.65 0.05 0.00 -0.72 0.00 0.00 41.12 40.27 2axx n ASP 83 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2axx h ARG 84 N 1.80 0.00 0.11 -0.67 -0.00 -1.56 -3.29 114.38 110.78 2axx h ARG 84 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.83 2axx h ARG 84 Cb 1.72 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.68 2axx h ARG 84 CO 0.46 0.25 -1.56 1.03 -0.00 0.00 0.00 179.97 180.14 2axx h SER 85 N 0.00 0.38 -0.46 0.08 0.87 -1.77 -3.38 113.55 109.26 2axx h SER 85 Ca -0.02 -0.85 -0.12 0.00 -1.23 0.00 0.00 61.79 59.56 2axx h SER 85 Cb 1.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2axx h SER 85 CO 0.03 1.68 -0.20 0.50 -0.53 0.00 0.00 176.83 178.31 2axx h LYS 86 N -0.24 0.95 -6.01 2.24 3.11 -1.82 -3.40 116.57 111.39 2axx h LYS 86 Ca -0.34 -0.40 -0.62 0.00 -2.81 0.00 0.00 60.65 56.48 2axx h LYS 86 Cb 1.81 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 33.01 2axx h LYS 86 CO 0.05 1.07 1.44 -0.89 -2.81 0.00 0.00 179.45 178.32 2axx n ILE 87 N -4.16 0.31 -4.20 2.00 2.08 -1.24 -4.94 119.36 109.21 2axx n ILE 87 Ca -0.00 -0.37 -0.13 0.00 0.56 0.00 0.00 62.75 62.81 2axx n ILE 87 Cb 0.44 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.10 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 10.74 0.20 -1.71 -1.39 0.00 -1.26 -4.96 120.51 122.12 2axx n ALA 88 Ca 0.33 -0.91 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 2axx n ALA 88 Cb 0.37 0.48 0.06 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.76 2.69 1.03 0.00 -2.85 -1.26 -5.02 119.74 111.56 2axx s LYS 89 Ca 0.02 1.95 -0.15 0.00 -1.00 0.00 0.00 55.97 56.79 2axx s LYS 89 Cb -0.00 -1.88 0.21 0.00 -2.06 0.00 0.00 37.83 34.10 2axx s LYS 89 CO 0.01 -1.46 1.17 -1.25 0.10 0.00 0.00 175.35 173.92 2axx s PRO 90 N -3.40 0.19 0.27 1.78 0.04 -1.26 -5.09 135.00 127.54 2axx s PRO 90 Ca 0.80 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.93 2axx s PRO 90 Cb -0.34 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2axx s PRO 90 CO 0.37 -2.79 0.40 -1.12 0.04 0.00 0.00 177.00 173.90 2axx s SER 91 N -4.13 6.21 0.95 6.66 0.01 -1.26 -5.14 113.70 116.99 2axx s SER 91 Ca 0.69 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.89 2axx s SER 91 Cb -0.11 -1.66 0.07 0.00 0.21 0.00 0.00 66.02 64.54 2axx s SER 91 CO 0.54 -0.19 0.44 1.21 0.41 0.00 0.00 173.24 175.65 2axx n GLU 92 N -1.49 -0.36 0.00 12.44 0.00 -1.26 -5.07 120.64 124.90 2axx n GLU 92 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 57.16 56.37 2axx n GLU 92 Cb 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 31.44 31.57 2axx n GLU 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2axx n THR 93 N -2.55 0.00 -0.68 6.31 5.66 -1.26 -5.28 114.28 116.48 2axx n THR 93 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2axx n THR 93 Cb 0.20 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 2axx n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91