#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 0.01 -1.24 2.85 -1.26 -5.08 118.16 113.45 2axx n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2axx n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2axx n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2axx n ASP 3 N -3.22 0.05 -0.95 -5.58 2.03 -1.26 -5.10 116.55 102.51 2axx n ASP 3 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2axx n ASP 3 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2axx n VAL 4 N -2.63 0.00 -3.04 5.18 0.31 -1.26 -5.03 118.33 111.87 2axx n VAL 4 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2axx n VAL 4 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 2.95 -1.98 5.55 4.01 -1.26 -4.96 118.16 122.46 2axx n LYS 5 Ca 0.00 -4.72 -0.42 0.00 -0.51 0.00 0.00 58.31 52.66 2axx n LYS 5 Cb 0.00 -2.19 -0.03 0.00 -0.51 0.00 0.00 35.03 32.30 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 -3.22 2.01 0.13 2.13 2.02 -1.26 -0.66 117.35 118.50 2axx s TYR 6 Ca 0.47 0.18 0.11 0.00 -0.37 0.00 0.00 57.07 57.46 2axx s TYR 6 Cb 0.26 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.85 2axx s TYR 6 CO -0.12 -3.93 -0.27 0.71 -1.57 0.00 0.00 175.55 170.38 2axx s TYR 7 N 3.85 2.30 0.37 2.71 2.02 0.56 -4.78 117.35 124.38 2axx s TYR 7 Ca 0.74 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2axx s TYR 7 Cb -0.35 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 2axx s TYR 7 CO 0.31 0.34 0.62 0.95 -1.57 0.00 0.00 175.55 176.19 2axx s THR 8 N -1.06 5.02 0.11 -0.71 -4.23 -1.26 -0.31 115.64 113.20 2axx s THR 8 Ca 0.14 -0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2axx s THR 8 Cb -0.10 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 69.83 2axx s THR 8 CO 0.06 -0.56 1.60 -0.07 -0.54 0.00 0.00 174.62 175.11 2axx h LEU 9 N 0.91 -1.10 -0.44 4.79 -0.00 -1.98 -1.22 115.31 116.26 2axx h LEU 9 Ca -0.48 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 57.60 2axx h LEU 9 Cb 1.21 0.41 -0.07 0.00 -0.00 0.00 0.00 40.66 42.21 2axx h LEU 9 CO 0.63 -0.46 0.01 -0.08 -0.00 0.00 0.00 178.44 178.54 2axx h GLU 10 N -0.61 0.12 0.22 1.13 4.81 -1.96 0.30 114.58 118.58 2axx h GLU 10 Ca 0.03 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2axx h GLU 10 Cb 0.64 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2axx h GLU 10 CO -0.22 0.08 -0.37 1.49 -0.73 0.00 0.00 179.01 179.26 2axx h GLU 11 N 0.12 -0.64 -0.97 1.92 4.57 -1.89 0.79 114.58 118.47 2axx h GLU 11 Ca 0.22 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 2axx h GLU 11 Cb 0.32 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 2axx h GLU 11 CO -0.36 -0.43 0.63 0.82 -1.18 0.00 0.00 179.01 178.50 2axx h ILE 12 N -0.67 1.12 0.00 2.32 2.04 -0.37 0.81 117.51 122.76 2axx h ILE 12 Ca 0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2axx h ILE 12 Cb 0.66 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2axx h ILE 12 CO -0.16 0.22 -0.04 -0.61 0.00 0.00 0.00 178.15 177.56 2axx h GLN 13 N 1.18 0.00 -0.11 2.37 5.75 0.15 -0.80 115.11 123.65 2axx h GLN 13 Ca 0.40 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.74 2axx h GLN 13 Cb 0.09 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.64 2axx h GLN 13 CO -0.15 0.04 -0.57 -0.22 -2.65 0.00 0.00 178.83 175.28 2axx h LYS 14 N 0.00 0.58 -4.38 1.69 1.63 0.16 -3.40 116.57 112.84 2axx h LYS 14 Ca -0.00 -0.48 -0.61 0.00 -0.85 0.00 0.00 60.65 58.71 2axx h LYS 14 Cb 0.33 0.10 0.05 0.00 -0.60 0.00 0.00 32.23 32.11 2axx h LYS 14 CO 0.01 1.10 2.26 0.72 -3.45 0.00 0.00 179.45 180.08 2axx n HIS 15 N -4.17 1.66 0.17 1.91 8.25 -0.31 -3.12 115.22 119.62 2axx n HIS 15 Ca -0.08 -1.72 0.00 0.00 -0.26 0.00 0.00 57.72 55.66 2axx n HIS 15 Cb 0.64 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 30.12 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 6.72 0.00 0.03 -0.41 2.85 -1.24 -1.41 118.16 124.70 2axx n LYS 16 Ca 0.48 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.61 2axx n LYS 16 Cb 0.37 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.66 2axx n LYS 16 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2axx h ASP 17 N 0.00 -0.05 -0.42 -5.58 3.58 -1.84 -3.30 116.42 108.81 2axx h ASP 17 Ca 0.00 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.22 2axx h ASP 17 Cb 0.00 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 2axx h ASP 17 CO 0.00 0.24 -0.25 -1.20 -2.88 0.00 0.00 179.24 175.16 2axx n SER 18 N -4.98 -0.44 0.00 2.28 7.64 -1.26 -4.88 113.62 111.98 2axx n SER 18 Ca -0.08 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2axx n SER 18 Cb 0.17 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 -3.93 0.00 -2.15 1.43 0.00 -1.24 -5.09 118.16 107.18 2axx n LYS 19 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.98 2axx n LYS 19 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.10 2axx n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2axx s SER 20 N 0.00 5.44 -0.42 3.14 0.15 -1.26 -4.90 113.70 115.84 2axx s SER 20 Ca 0.00 -0.36 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 2axx s SER 20 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2axx s SER 20 CO 0.00 -2.39 1.84 -0.89 1.20 0.00 0.00 173.24 173.01 2axx s THR 21 N 8.73 3.42 0.33 6.45 2.01 -1.26 -3.65 115.64 131.67 2axx s THR 21 Ca 0.63 0.38 0.07 0.00 0.31 0.00 0.00 61.69 63.08 2axx s THR 21 Cb -0.08 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2axx s THR 21 CO 0.08 -0.54 0.43 0.26 -0.69 0.00 0.00 174.62 174.15 2axx s TRP 22 N 7.77 3.08 0.15 4.92 0.52 -0.50 -1.63 118.94 133.26 2axx s TRP 22 Ca 0.77 -0.23 -0.13 0.00 0.02 0.00 0.00 56.10 56.53 2axx s TRP 22 Cb -0.19 -1.93 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2axx s TRP 22 CO 0.29 0.05 0.37 0.14 0.02 0.00 0.00 176.95 177.82 2axx s VAL 23 N -2.19 0.07 -0.39 4.03 -7.23 -0.01 0.28 120.40 114.95 2axx s VAL 23 Ca 0.44 -0.99 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2axx s VAL 23 Cb -0.09 -1.54 0.11 0.00 0.56 0.00 0.00 36.38 35.42 2axx s VAL 23 CO 0.30 -0.30 0.15 0.27 -0.31 0.00 0.00 175.10 175.21 2axx s ILE 24 N -3.89 2.94 -0.45 -0.62 -4.36 -1.26 -0.79 121.20 112.77 2axx s ILE 24 Ca 0.10 -2.18 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 2axx s ILE 24 Cb 0.02 -3.06 0.10 0.00 1.25 0.00 0.00 42.46 40.77 2axx s ILE 24 CO -0.05 -0.66 0.33 -0.76 0.24 0.00 0.00 174.94 174.03 2axx s LEU 25 N 1.04 5.48 0.00 0.37 1.43 -1.09 -3.02 118.68 122.89 2axx s LEU 25 Ca 0.09 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.56 2axx s LEU 25 Cb -0.21 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2axx s LEU 25 CO -0.06 -0.63 0.00 1.41 0.23 0.00 0.00 176.35 177.31 2axx n HIS 26 N 4.98 -0.65 -1.02 0.29 8.25 -1.26 -4.04 115.22 121.77 2axx n HIS 26 Ca -0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.19 2axx n HIS 26 Cb 0.42 0.14 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 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 0.51 -3.65 4.41 8.25 -1.26 -4.70 115.22 118.79 2axx n HIS 27 Ca 0.00 -1.77 -0.03 0.00 -0.26 0.00 0.00 57.72 55.66 2axx n HIS 27 Cb 0.00 -1.74 -0.07 0.00 1.12 0.00 0.00 29.99 29.31 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 1.35 0.24 -0.10 -0.41 -2.85 -1.26 -4.58 119.74 112.14 2axx s LYS 28 Ca 0.65 0.36 -0.12 0.00 -1.00 0.00 0.00 55.97 55.86 2axx s LYS 28 Cb 0.28 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2axx s LYS 28 CO -0.01 -0.04 0.27 0.08 0.10 0.00 0.00 175.35 175.75 2axx s VAL 29 N 0.73 5.29 -0.03 1.79 1.01 0.28 -2.68 120.40 126.79 2axx s VAL 29 Ca -0.02 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2axx s VAL 29 Cb -0.04 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2axx s VAL 29 CO -0.12 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 2axx s TYR 30 N -0.50 2.03 -0.20 5.22 2.02 0.03 -2.33 117.35 123.62 2axx s TYR 30 Ca 0.18 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 2axx s TYR 30 Cb -0.14 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 2axx s TYR 30 CO 0.07 -0.08 0.28 0.34 -1.57 0.00 0.00 175.55 174.58 2axx s ASP 31 N -0.38 6.33 -0.11 2.29 2.15 -0.83 -0.83 116.67 125.29 2axx s ASP 31 Ca 0.05 0.37 0.15 0.00 0.43 0.00 0.00 52.55 53.55 2axx s ASP 31 Cb -0.10 -2.17 0.24 0.00 -0.30 0.00 0.00 42.92 40.59 2axx s ASP 31 CO 0.00 0.03 1.12 0.18 -0.17 0.00 0.00 175.17 176.34 2axx n LEU 32 N 4.11 1.88 -0.12 -1.34 4.77 -0.64 -4.78 117.00 120.87 2axx n LEU 32 Ca -0.12 -2.69 -0.06 0.00 -0.03 0.00 0.00 56.01 53.11 2axx n LEU 32 Cb 0.52 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2axx n LEU 32 CO 0.38 0.64 0.70 0.74 -1.33 0.00 0.00 177.39 178.53 2axx h THR 33 N 1.49 0.37 -0.43 -5.08 2.02 -1.85 0.58 112.91 110.00 2axx h THR 33 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2axx h THR 33 Cb 1.09 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2axx h THR 33 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 2axx n LYS 34 N -5.39 3.02 0.00 6.66 4.76 -1.26 -3.91 118.16 122.03 2axx n LYS 34 Ca 0.02 -1.99 0.05 0.00 -2.87 0.00 0.00 58.31 53.53 2axx n LYS 34 Cb 0.30 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.68 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2axx n PHE 35 N 0.65 0.00 0.00 2.13 7.35 0.16 -4.58 117.46 123.17 2axx n PHE 35 Ca 0.18 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 2axx n PHE 35 Cb 0.70 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.46 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 0.05 -1.12 -0.29 -2.13 3.38 -1.58 0.24 115.31 113.87 2axx h LEU 36 Ca 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2axx h LEU 36 Cb 0.25 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2axx h LEU 36 CO 0.00 -0.32 -0.07 -0.33 0.09 0.00 0.00 178.44 177.82 2axx h GLU 37 N -0.39 0.55 -0.86 1.13 3.07 -1.86 -2.43 114.58 113.79 2axx h GLU 37 Ca 0.02 -0.21 0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2axx h GLU 37 Cb 0.45 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.26 2axx h GLU 37 CO -0.28 0.75 0.52 0.93 -1.40 0.00 0.00 179.01 179.53 2axx h GLU 38 N 0.31 0.88 -6.05 2.33 4.39 -1.73 -3.44 114.58 111.28 2axx h GLU 38 Ca 0.07 -0.05 -0.73 0.00 0.34 0.00 0.00 59.36 58.99 2axx h GLU 38 Cb 0.54 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2axx h GLU 38 CO 0.03 0.58 1.19 1.58 -1.16 0.00 0.00 179.01 181.23 2axx n HIS 39 N -4.66 1.67 -1.85 4.33 -0.00 0.81 -4.79 115.22 110.72 2axx n HIS 39 Ca 0.13 0.52 -0.31 0.00 0.46 0.00 0.00 57.72 58.52 2axx n HIS 39 Cb 0.23 -2.44 -0.06 0.00 -0.12 0.00 0.00 29.99 27.60 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 6.88 1.55 0.00 1.57 -0.04 -1.26 -0.73 135.00 142.96 2axx n PRO 40 Ca 0.39 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 2axx n PRO 40 Cb 0.12 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.03 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 5.52 1.08 0.00 0.55 0.00 -1.26 -5.17 105.19 105.91 2axx n GLY 41 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 2.89 0.08 -0.02 0.00 0.09 -4.88 105.19 103.35 2axx n GLY 42 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 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 0.02 0.38 1.61 4.22 -1.71 -3.37 114.58 115.72 2axx h GLU 43 Ca 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 2axx h GLU 43 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2axx h GLU 43 CO 0.00 1.02 -0.48 1.49 -2.18 0.00 0.00 179.01 178.86 2axx h GLU 44 N -0.94 -0.86 -0.92 1.92 4.81 -1.91 0.32 114.58 117.01 2axx h GLU 44 Ca -0.09 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 59.38 2axx h GLU 44 Cb 1.12 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 2axx h GLU 44 CO -0.03 -0.57 0.59 -0.24 -0.73 0.00 0.00 179.01 178.03 2axx h VAL 45 N -0.89 0.73 0.07 0.32 3.04 -1.90 0.43 116.25 118.05 2axx h VAL 45 Ca -0.04 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2axx h VAL 45 Cb 0.81 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2axx h VAL 45 CO -0.12 0.10 -0.03 0.25 -1.01 0.00 0.00 177.57 176.75 2axx h LEU 46 N 0.55 -0.08 -0.01 3.16 7.12 -0.96 -3.16 115.31 121.92 2axx h LEU 46 Ca 0.48 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 58.21 2axx h LEU 46 Cb 0.99 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 2axx h LEU 46 CO -0.22 0.25 0.00 -1.14 -0.13 0.00 0.00 178.44 177.20 2axx n ARG 47 N -4.98 0.06 -0.11 1.25 0.63 0.86 -3.85 116.66 110.52 2axx n ARG 47 Ca -0.08 0.07 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 2axx n ARG 47 Cb 0.19 -1.58 -0.00 0.00 0.45 0.00 0.00 32.46 31.53 2axx n ARG 47 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2axx h GLU 48 N 0.00 -0.18 0.00 -0.14 4.22 -0.16 -3.29 114.58 115.03 2axx h GLU 48 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2axx h GLU 48 Cb 0.54 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2axx h GLU 48 CO 0.00 -0.12 0.00 1.04 -2.18 0.00 0.00 179.01 177.75 2axx n GLN 49 N -5.40 0.00 -1.17 1.92 1.13 -1.26 -5.10 117.38 107.50 2axx n GLN 49 Ca 0.02 0.18 0.13 0.00 -1.94 0.00 0.00 57.00 55.39 2axx n GLN 49 Cb 0.31 -0.66 -0.05 0.00 0.11 0.00 0.00 30.24 29.95 2axx n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2axx n ALA 50 N -2.20 -3.22 -1.05 -1.58 0.00 -1.24 -4.85 120.51 106.36 2axx n ALA 50 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 53.95 2axx n ALA 50 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.68 0.40 0.00 0.00 0.00 0.14 -4.62 105.19 97.44 2axx n GLY 51 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.95 0.53 4.24 -0.02 0.00 -1.20 -2.44 105.19 105.35 2axx n GLY 52 Ca -0.02 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.77 0.00 1.61 8.00 -1.26 -4.32 116.55 119.80 2axx n ASP 53 Ca 0.00 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2axx n ASP 53 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 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 -3.94 1.97 0.16 2.24 0.00 -1.26 -4.69 120.51 114.99 2axx n ALA 54 Ca -0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 2axx n ALA 54 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 0.12 0.46 -0.27 0.00 2.02 -1.84 0.12 112.91 113.53 2axx h THR 55 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2axx h THR 55 Cb 0.06 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 2axx h THR 55 CO 0.00 0.00 -0.35 -0.08 0.37 0.00 0.00 175.52 175.46 2axx h GLU 56 N -0.51 -0.34 -0.38 6.66 4.57 -1.90 0.13 114.58 122.81 2axx h GLU 56 Ca 0.00 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2axx h GLU 56 Cb 0.49 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2axx h GLU 56 CO -0.08 -0.23 0.25 -0.97 -1.18 0.00 0.00 179.01 176.81 2axx h ASN 57 N -0.35 0.42 -0.33 1.04 -0.73 -1.80 0.25 115.58 114.08 2axx h ASN 57 Ca 0.13 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 2axx h ASN 57 Cb 0.56 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 2axx h ASN 57 CO -0.46 0.31 0.17 0.15 -0.37 0.00 0.00 177.43 177.23 2axx h PHE 58 N 0.50 0.46 0.00 0.67 3.04 -0.18 -3.05 116.94 118.39 2axx h PHE 58 Ca 0.14 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 2axx h PHE 58 Cb -0.05 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 2axx h PHE 58 CO -0.05 0.38 -0.38 0.93 -2.02 0.00 0.00 178.31 177.17 2axx h GLU 59 N 0.41 0.00 -0.34 1.11 4.39 -0.43 0.12 114.58 119.84 2axx h GLU 59 Ca 0.12 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.89 2axx h GLU 59 Cb 0.08 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 2axx h GLU 59 CO -0.02 0.38 -0.16 0.22 -1.16 0.00 0.00 179.01 178.27 2axx h ASP 60 N 0.00 -0.55 0.55 1.42 3.58 -0.39 -0.77 116.42 120.26 2axx h ASP 60 Ca -0.00 0.13 -0.19 0.00 0.42 0.00 0.00 57.03 57.39 2axx h ASP 60 Cb 1.10 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 2axx h ASP 60 CO 0.05 -0.20 -0.83 0.58 -2.88 0.00 0.00 179.24 175.96 2axx h VAL 61 N -0.11 1.48 0.00 2.25 2.07 -1.54 -3.48 116.25 116.92 2axx h VAL 61 Ca 0.17 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2axx h VAL 61 Cb 0.37 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2axx h VAL 61 CO -0.41 0.73 0.00 0.61 0.02 0.00 0.00 177.57 178.53 2axx n GLY 62 N 0.78 2.70 0.86 2.17 0.00 0.42 -4.93 105.19 107.19 2axx n GLY 62 Ca -0.03 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.32 -1.66 1.61 8.25 -1.26 -4.70 115.22 115.14 2axx n HIS 63 Ca 0.00 1.28 -0.30 0.00 -0.26 0.00 0.00 57.72 58.45 2axx n HIS 63 Cb 0.00 -2.12 0.18 0.00 1.12 0.00 0.00 29.99 29.18 2axx n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2axx s SER 64 N -5.80 2.73 0.25 0.41 0.15 -1.26 -4.98 113.70 105.20 2axx s SER 64 Ca 0.00 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.25 2axx s SER 64 Cb 0.00 -0.69 0.29 0.00 -1.71 0.00 0.00 66.02 63.90 2axx s SER 64 CO 0.00 -2.99 1.57 0.00 1.20 0.00 0.00 173.24 173.02 2axx h THR 65 N -1.81 1.46 -0.38 6.45 1.03 -2.00 -3.09 112.91 114.57 2axx h THR 65 Ca -0.45 -2.28 0.08 0.00 -0.01 0.00 0.00 66.41 63.74 2axx h THR 65 Cb 1.27 2.24 -0.09 0.00 -1.07 0.00 0.00 68.15 70.50 2axx h THR 65 CO 0.42 0.65 -0.31 -0.78 -0.01 0.00 0.00 175.52 175.50 2axx h ASP 66 N 0.00 -1.03 -0.67 0.00 1.82 -2.00 0.17 116.42 114.72 2axx h ASP 66 Ca -0.01 0.18 0.07 0.00 -0.39 0.00 0.00 57.03 56.89 2axx h ASP 66 Cb 1.18 0.48 -0.06 0.00 0.68 0.00 0.00 39.33 41.62 2axx h ASP 66 CO 0.09 -0.31 0.35 0.00 -1.61 0.00 0.00 179.24 177.75 2axx h ALA 67 N 0.78 0.91 -0.28 -0.78 0.00 -1.93 0.14 119.26 118.11 2axx h ALA 67 Ca 0.17 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2axx h ALA 67 Cb 0.53 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2axx h ALA 67 CO -0.52 -0.01 -0.08 0.00 0.00 0.00 0.00 179.25 178.64 2axx h ARG 68 N 0.62 -0.02 -0.63 0.00 3.08 -0.93 0.22 114.38 116.72 2axx h ARG 68 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 2axx h ARG 68 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2axx h ARG 68 CO -0.22 -0.01 0.15 0.93 -1.07 0.00 0.00 179.97 179.74 2axx h GLU 69 N -0.02 1.01 -0.70 0.04 5.08 -0.76 -2.75 114.58 116.48 2axx h GLU 69 Ca 0.14 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2axx h GLU 69 Cb 0.23 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2axx h GLU 69 CO -0.30 0.92 0.46 1.25 -1.00 0.00 0.00 179.01 180.35 2axx h LEU 70 N 0.93 0.63 -0.88 1.33 5.85 0.19 0.12 115.31 123.48 2axx h LEU 70 Ca 0.20 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.10 2axx h LEU 70 Cb 0.37 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 2axx h LEU 70 CO 0.00 0.41 0.44 0.28 -0.34 0.00 0.00 178.44 179.23 2axx h SER 71 N 0.72 0.48 -0.92 1.25 0.02 -0.29 -1.91 113.55 112.90 2axx h SER 71 Ca 0.31 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 2axx h SER 71 Cb 0.28 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 2axx h SER 71 CO -0.10 0.14 0.58 0.11 -1.14 0.00 0.00 176.83 176.41 2axx h LYS 72 N 0.55 1.01 -0.20 3.45 1.79 -0.75 0.27 116.57 122.69 2axx h LYS 72 Ca 0.52 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.98 2axx h LYS 72 Cb 0.85 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2axx h LYS 72 CO -0.43 0.67 0.26 1.15 -1.08 0.00 0.00 179.45 180.02 2axx h THR 73 N 1.04 0.35 -0.35 -0.16 2.02 -1.36 -0.75 112.91 113.70 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 0.20 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2axx h THR 73 CO -0.18 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.49 2axx n TYR 74 N -3.61 0.45 -1.87 3.16 4.01 0.88 -4.96 117.16 115.22 2axx n TYR 74 Ca 0.02 -0.25 -0.43 0.00 -0.16 0.00 0.00 57.90 57.08 2axx n TYR 74 Cb 0.38 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.37 3.33 -0.13 -0.72 -1.16 -0.29 -1.97 121.20 118.89 2axx s ILE 75 Ca 0.34 0.35 -0.09 0.00 -0.51 0.00 0.00 60.65 60.74 2axx s ILE 75 Cb 0.20 -3.40 -0.25 0.00 0.61 0.00 0.00 42.46 39.62 2axx s ILE 75 CO 0.28 -0.23 0.35 2.30 -2.81 0.00 0.00 174.94 174.84 2axx n ILE 76 N 7.20 1.75 -3.13 2.00 -5.35 -0.98 -4.96 119.36 115.88 2axx n ILE 76 Ca 0.24 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2axx n ILE 76 Cb 0.45 -1.79 0.00 0.00 -1.74 0.00 0.00 39.64 36.57 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 1.90 -0.56 3.50 3.28 0.00 -1.21 -4.53 105.19 107.58 2axx n GLY 77 Ca -0.32 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.27 1.71 0.04 1.61 2.02 0.17 -0.56 118.70 123.43 2axx s GLU 78 Ca 0.00 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 52.83 2axx s GLU 78 Cb 0.00 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 2axx s GLU 78 CO 0.00 0.12 0.93 -1.17 0.02 0.00 0.00 175.26 175.16 2axx s LEU 79 N -3.54 4.42 0.15 1.80 2.96 -1.26 -0.33 118.68 122.89 2axx s LEU 79 Ca 0.31 1.65 -0.32 0.00 -0.22 0.00 0.00 54.13 55.56 2axx s LEU 79 Cb 0.02 -3.50 -0.17 0.00 0.50 0.00 0.00 46.19 43.04 2axx s LEU 79 CO 0.15 -0.14 0.78 1.57 -1.32 0.00 0.00 176.35 177.38 2axx n HIS 80 N 3.34 0.16 0.31 5.38 -0.00 0.58 -4.64 115.22 120.34 2axx n HIS 80 Ca 0.03 0.93 0.19 0.00 -0.00 0.00 0.00 57.72 58.88 2axx n HIS 80 Cb 0.50 -2.06 0.93 0.00 -0.00 0.00 0.00 29.99 29.36 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 1.88 0.00 -0.00 1.57 0.13 -1.94 -2.05 132.00 131.60 2axx h PRO 81 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2axx h PRO 81 Cb 1.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 2axx h PRO 81 CO 0.61 0.00 -0.01 0.22 -0.23 0.00 0.00 178.00 178.59 2axx h ASP 82 N 0.00 -0.02 -0.24 1.44 3.58 -1.98 0.23 116.42 119.43 2axx h ASP 82 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2axx h ASP 82 Cb 0.22 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2axx h ASP 82 CO 0.00 -0.01 0.05 -0.78 -2.88 0.00 0.00 179.24 175.62 2axx h ASP 83 N -0.01 0.02 -0.73 2.28 1.82 -1.82 -1.07 116.42 116.91 2axx h ASP 83 Ca 0.00 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.84 2axx h ASP 83 Cb 0.01 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.02 2axx h ASP 83 CO -0.00 0.04 0.49 -0.09 -1.61 0.00 0.00 179.24 178.07 2axx h ARG 84 N 0.15 0.31 0.00 0.28 2.43 -1.19 0.28 114.38 116.63 2axx h ARG 84 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2axx h ARG 84 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2axx h ARG 84 CO -0.14 0.20 -0.98 0.45 -1.51 0.00 0.00 179.97 177.99 2axx n SER 85 N -4.45 0.62 -2.52 -3.80 2.88 0.79 -4.40 113.62 102.74 2axx n SER 85 Ca 0.14 -0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.33 2axx n SER 85 Cb 0.58 0.70 0.01 0.00 -0.75 0.00 0.00 64.21 64.75 2axx n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2axx n LYS 86 N -2.02 2.83 -2.00 -1.46 4.81 0.82 -5.08 118.16 116.06 2axx n LYS 86 Ca 0.02 -4.17 -0.41 0.00 -0.87 0.00 0.00 58.31 52.88 2axx n LYS 86 Cb 0.44 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 2axx n LYS 86 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2axx s ILE 87 N -4.87 2.49 0.15 3.15 1.01 -0.24 -4.78 121.20 118.11 2axx s ILE 87 Ca 0.42 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.61 2axx s ILE 87 Cb 0.42 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2axx s ILE 87 CO -0.12 0.11 -0.11 0.00 0.00 0.00 0.00 174.94 174.81 2axx s ALA 88 N -0.94 1.56 0.31 9.38 0.00 -1.26 -5.12 121.76 125.69 2axx s ALA 88 Ca 0.52 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 2axx s ALA 88 Cb -0.42 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 2axx s ALA 88 CO 0.54 -0.04 0.96 0.36 0.00 0.00 0.00 175.76 177.58 2axx n LYS 89 N -0.14 1.24 -1.04 0.00 0.00 -1.26 -4.99 118.16 111.98 2axx n LYS 89 Ca -0.10 0.43 -0.30 0.00 -0.00 0.00 0.00 58.31 58.34 2axx n LYS 89 Cb 0.60 -1.80 0.25 0.00 -0.00 0.00 0.00 35.03 34.08 2axx n LYS 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2axx n PRO 90 N 0.67 -3.18 -3.66 -1.58 -0.04 -1.26 -5.10 135.00 120.85 2axx n PRO 90 Ca 0.10 -1.75 -0.14 0.00 -0.04 0.00 0.00 63.50 61.67 2axx n PRO 90 Cb 0.33 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 2axx n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2axx s SER 91 N -4.45 -0.33 0.20 3.54 0.15 -1.26 -5.12 113.70 106.44 2axx s SER 91 Ca 0.71 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2axx s SER 91 Cb -0.07 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2axx s SER 91 CO 0.55 -0.62 0.00 1.21 1.20 0.00 0.00 173.24 175.57 2axx n GLU 92 N 0.69 -1.77 -3.59 5.44 0.00 -1.26 -5.12 120.64 115.03 2axx n GLU 92 Ca -0.19 1.32 -0.11 0.00 0.00 0.00 0.00 57.16 58.18 2axx n GLU 92 Cb 0.59 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 30.49 2axx n GLU 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2axx s THR 93 N -2.55 0.00 -0.45 6.31 -1.32 -1.26 -5.14 115.64 111.23 2axx s THR 93 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 2axx s THR 93 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 2axx s THR 93 CO 0.00 0.00 0.62 -0.11 -2.21 0.00 0.00 174.62 172.92