#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axx s LYS 2 N 0.00 0.83 0.00 -1.24 -0.14 -1.26 -5.12 119.74 112.82 2axx s LYS 2 Ca 0.00 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 2axx s LYS 2 Cb 0.00 0.39 0.00 0.00 -1.68 0.00 0.00 37.83 36.54 2axx s LYS 2 CO 0.00 -0.25 0.00 -0.40 -0.76 0.00 0.00 175.35 173.94 2axx n ASP 3 N 0.91 0.00 -1.93 2.83 5.75 -1.26 -4.93 116.55 117.92 2axx n ASP 3 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2axx n ASP 3 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2axx n ASP 3 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2axx n VAL 4 N 0.00 0.00 -2.68 2.12 0.31 -1.26 -5.01 118.33 111.81 2axx n VAL 4 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2axx n VAL 4 Cb 0.00 0.00 0.07 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 0.24 -1.94 5.55 5.02 -1.26 -4.85 118.16 120.91 2axx n LYS 5 Ca 0.00 -0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 54.96 2axx n LYS 5 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.32 1.75 -0.02 2.13 2.02 -1.25 -0.84 117.35 121.46 2axx s TYR 6 Ca 0.27 0.50 0.07 0.00 -0.37 0.00 0.00 57.07 57.54 2axx s TYR 6 Cb 0.20 -4.06 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2axx s TYR 6 CO -0.11 -3.34 -0.23 0.71 -1.57 0.00 0.00 175.55 171.02 2axx s TYR 7 N 6.41 2.06 0.64 2.71 2.02 0.37 -4.70 117.35 126.86 2axx s TYR 7 Ca 0.81 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.96 2axx s TYR 7 Cb -0.27 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2axx s TYR 7 CO 0.33 -0.06 1.05 0.95 -1.57 0.00 0.00 175.55 176.25 2axx s THR 8 N -0.47 4.16 0.13 -0.71 -4.23 -1.26 -0.32 115.64 112.94 2axx s THR 8 Ca 0.07 0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 2axx s THR 8 Cb -0.09 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 2axx s THR 8 CO -0.00 -0.82 1.75 -0.07 -0.54 0.00 0.00 174.62 174.95 2axx h LEU 9 N -0.21 0.12 -0.12 4.79 -0.00 -1.99 -0.27 115.31 117.63 2axx h LEU 9 Ca -0.45 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.49 2axx h LEU 9 Cb 1.21 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 2axx h LEU 9 CO 0.58 0.10 -0.14 -0.33 -0.00 0.00 0.00 178.44 178.65 2axx h GLU 10 N 0.22 -0.18 -0.25 1.13 5.08 -1.97 0.18 114.58 118.79 2axx h GLU 10 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2axx h GLU 10 Cb 0.07 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2axx h GLU 10 CO -0.10 -0.12 -0.12 1.49 -1.00 0.00 0.00 179.01 179.16 2axx h GLU 11 N -0.18 -0.08 -0.98 2.33 4.57 -1.72 0.05 114.58 118.58 2axx h GLU 11 Ca 0.09 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2axx h GLU 11 Cb 0.31 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2axx h GLU 11 CO -0.23 -0.05 0.64 0.82 -1.18 0.00 0.00 179.01 179.01 2axx h ILE 12 N -0.08 1.25 0.00 2.32 1.08 -0.82 -0.25 117.51 121.01 2axx h ILE 12 Ca 0.13 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2axx h ILE 12 Cb 0.28 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 2axx h ILE 12 CO -0.31 0.25 0.04 -0.61 -0.69 0.00 0.00 178.15 176.83 2axx h GLN 13 N 1.33 0.00 0.00 2.37 5.75 0.13 -0.18 115.11 124.50 2axx h GLN 13 Ca 0.36 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 2axx h GLN 13 Cb -0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.41 2axx h GLN 13 CO -0.08 0.00 0.00 0.87 -2.65 0.00 0.00 178.83 176.97 2axx h LYS 14 N 0.00 0.00 0.00 1.69 1.79 -0.02 -3.46 116.57 116.58 2axx h LYS 14 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2axx h LYS 14 Cb 0.08 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.83 2axx h LYS 14 CO 0.00 0.00 0.08 0.72 -1.08 0.00 0.00 179.45 179.17 2axx n HIS 15 N -2.45 -3.54 -3.22 -1.35 8.25 -0.08 -4.48 115.22 108.35 2axx n HIS 15 Ca 0.05 -0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 56.83 2axx n HIS 15 Cb 0.44 -0.59 0.08 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.13 -5.68 0.00 -0.41 4.81 -0.90 -4.49 118.16 108.36 2axx n LYS 16 Ca 0.08 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2axx n LYS 16 Cb 0.31 -5.39 0.00 0.00 0.02 0.00 0.00 35.03 29.97 2axx n LYS 16 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2axx n ASP 17 N -2.82 0.00 -4.00 3.14 -0.08 -1.26 -4.97 116.55 106.55 2axx n ASP 17 Ca -0.25 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.76 2axx n ASP 17 Cb 0.65 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.94 2axx n ASP 17 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2axx s SER 18 N -0.70 2.17 -1.35 1.67 0.15 -1.26 -4.83 113.70 109.55 2axx s SER 18 Ca 0.00 -0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 2axx s SER 18 Cb 0.00 -0.94 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 2axx s SER 18 CO 0.00 -0.02 0.93 1.17 1.20 0.00 0.00 173.24 176.53 2axx n LYS 19 N 4.30 -6.08 -2.71 5.44 4.81 -1.26 -4.89 118.16 117.78 2axx n LYS 19 Ca -0.19 0.71 -0.07 0.00 -0.87 0.00 0.00 58.31 57.89 2axx n LYS 19 Cb 0.51 -5.55 0.09 0.00 0.02 0.00 0.00 35.03 30.10 2axx n LYS 19 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2axx n SER 20 N -3.01 -2.00 -4.44 3.14 3.41 -1.26 -5.02 113.62 104.44 2axx n SER 20 Ca -0.15 -2.98 -0.44 0.00 -0.26 0.00 0.00 58.87 55.04 2axx n SER 20 Cb 0.62 1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 66.04 2axx n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2axx s THR 21 N 0.21 4.58 0.22 6.66 2.01 -1.26 -2.12 115.64 125.94 2axx s THR 21 Ca 0.21 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.28 2axx s THR 21 Cb 0.31 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2axx s THR 21 CO -0.08 -1.42 0.18 0.26 -0.69 0.00 0.00 174.62 172.87 2axx s TRP 22 N 3.23 3.12 0.08 4.92 0.52 -1.26 -1.30 118.94 128.25 2axx s TRP 22 Ca 0.25 -0.08 -0.12 0.00 0.02 0.00 0.00 56.10 56.17 2axx s TRP 22 Cb -0.13 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2axx s TRP 22 CO 0.01 0.52 0.27 0.14 0.02 0.00 0.00 176.95 177.91 2axx s VAL 23 N -2.01 0.11 -0.56 4.03 -7.23 -0.19 0.13 120.40 114.68 2axx s VAL 23 Ca 0.32 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 2axx s VAL 23 Cb -0.09 -1.14 0.15 0.00 0.56 0.00 0.00 36.38 35.86 2axx s VAL 23 CO 0.24 -0.49 0.36 0.27 -0.31 0.00 0.00 175.10 175.18 2axx s ILE 24 N -3.34 3.42 -0.76 -0.62 -4.36 -1.26 -0.79 121.20 113.49 2axx s ILE 24 Ca 0.01 -2.85 -0.16 0.00 -0.26 0.00 0.00 60.65 57.39 2axx s ILE 24 Cb 0.02 -3.28 0.17 0.00 1.25 0.00 0.00 42.46 40.63 2axx s ILE 24 CO -0.08 -0.83 0.77 -0.76 0.24 0.00 0.00 174.94 174.28 2axx s LEU 25 N 0.13 6.19 0.00 0.37 1.43 -0.74 -3.68 118.68 122.38 2axx s LEU 25 Ca 0.15 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 2axx s LEU 25 Cb -0.21 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2axx s LEU 25 CO -0.03 -0.78 0.00 1.41 0.23 0.00 0.00 176.35 177.18 2axx n HIS 26 N 4.95 -0.16 -1.41 0.29 8.25 -1.26 -3.84 115.22 122.04 2axx n HIS 26 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 2axx n HIS 26 Cb 0.45 0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 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 2.72 -3.63 4.41 8.25 -1.26 -4.70 115.22 121.00 2axx n HIS 27 Ca 0.00 -2.84 -0.04 0.00 -0.26 0.00 0.00 57.72 54.58 2axx n HIS 27 Cb 0.00 -2.38 -0.05 0.00 1.12 0.00 0.00 29.99 28.68 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 2.93 0.17 -0.11 -0.41 1.02 -1.25 -4.81 119.74 117.27 2axx s LYS 28 Ca 0.57 0.06 -0.05 0.00 0.02 0.00 0.00 55.97 56.57 2axx s LYS 28 Cb 0.15 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2axx s LYS 28 CO -0.05 -0.05 0.09 0.08 -0.92 0.00 0.00 175.35 174.50 2axx s VAL 29 N -0.87 5.09 -0.05 3.17 1.01 -0.03 -1.79 120.40 126.93 2axx s VAL 29 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2axx s VAL 29 Cb -0.01 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2axx s VAL 29 CO -0.07 0.61 -0.14 -0.31 0.00 0.00 0.00 175.10 175.19 2axx s TYR 30 N -0.93 1.47 -0.20 5.22 2.02 0.03 -1.54 117.35 123.42 2axx s TYR 30 Ca 0.14 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 2axx s TYR 30 Cb -0.12 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.37 2axx s TYR 30 CO 0.03 -0.18 0.22 0.34 -1.57 0.00 0.00 175.55 174.39 2axx s ASP 31 N 0.24 6.28 -0.07 2.29 -1.08 -0.95 -1.02 116.67 122.35 2axx s ASP 31 Ca -0.06 0.32 0.11 0.00 -0.52 0.00 0.00 52.55 52.39 2axx s ASP 31 Cb -0.12 -2.14 0.16 0.00 -1.46 0.00 0.00 42.92 39.37 2axx s ASP 31 CO 0.02 0.10 1.06 0.18 0.52 0.00 0.00 175.17 177.06 2axx n LEU 32 N 3.83 1.45 -0.10 -1.34 4.77 -0.42 -4.81 117.00 120.37 2axx n LEU 32 Ca -0.14 -2.20 0.14 0.00 -0.03 0.00 0.00 56.01 53.78 2axx n LEU 32 Cb 0.52 -0.24 0.52 0.00 -2.33 0.00 0.00 43.42 41.88 2axx n LEU 32 CO 0.38 0.51 1.19 0.74 -1.33 0.00 0.00 177.39 178.89 2axx h THR 33 N 2.47 0.85 -0.35 -5.08 2.02 -1.85 0.99 112.91 111.96 2axx h THR 33 Ca 0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 2axx h THR 33 Cb 1.10 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2axx h THR 33 CO 0.00 0.07 0.02 0.29 0.37 0.00 0.00 175.52 176.27 2axx n LYS 34 N -4.47 2.73 0.00 6.66 5.02 -1.26 -4.40 118.16 122.45 2axx n LYS 34 Ca 0.11 -2.96 0.03 0.00 -2.02 0.00 0.00 58.31 53.46 2axx n LYS 34 Cb 0.44 -1.89 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.00 2.13 7.35 0.31 -4.77 117.46 121.84 2axx n PHE 35 Ca 0.27 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.87 2axx n PHE 35 Cb 1.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.77 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 0.45 -1.06 -0.36 -2.13 3.38 -1.67 0.26 115.31 114.17 2axx h LEU 36 Ca 0.00 0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2axx h LEU 36 Cb 0.17 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2axx h LEU 36 CO 0.00 -0.31 -0.34 -0.08 0.09 0.00 0.00 178.44 177.80 2axx h GLU 37 N -0.37 0.87 -0.79 1.13 4.57 -1.88 -2.99 114.58 115.11 2axx h GLU 37 Ca 0.02 -0.45 0.08 0.00 -1.18 0.00 0.00 59.36 57.83 2axx h GLU 37 Cb 0.43 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 2axx h GLU 37 CO -0.26 1.10 0.46 0.93 -1.18 0.00 0.00 179.01 180.05 2axx h GLU 38 N 0.68 0.77 -5.92 1.92 4.39 -1.78 -3.43 114.58 111.19 2axx h GLU 38 Ca 0.06 -0.05 -0.67 0.00 0.34 0.00 0.00 59.36 59.04 2axx h GLU 38 Cb 0.93 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 2axx h GLU 38 CO 0.09 0.51 1.43 1.58 -1.16 0.00 0.00 179.01 181.45 2axx n HIS 39 N -4.74 1.46 -2.07 4.33 -0.00 0.90 -4.78 115.22 110.31 2axx n HIS 39 Ca 0.12 0.37 -0.33 0.00 0.46 0.00 0.00 57.72 58.34 2axx n HIS 39 Cb 0.24 -2.48 -0.05 0.00 -0.12 0.00 0.00 29.99 27.58 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 8.12 1.92 0.00 1.57 -0.04 -1.26 -0.64 135.00 144.67 2axx n PRO 40 Ca 0.45 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 2axx n PRO 40 Cb 0.18 -3.61 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 5.56 1.36 0.00 0.55 0.00 -1.26 -5.17 105.19 106.24 2axx n GLY 41 Ca 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 3.70 0.10 -0.02 0.00 0.19 -4.92 105.19 104.24 2axx n GLY 42 Ca 0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 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 0.15 0.62 1.61 4.22 -1.79 -3.37 114.58 116.03 2axx h GLU 43 Ca 0.00 -0.26 -0.03 0.00 0.08 0.00 0.00 59.36 59.15 2axx h GLU 43 Cb 0.00 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2axx h GLU 43 CO 0.00 1.13 -0.30 1.49 -2.18 0.00 0.00 179.01 179.15 2axx h GLU 44 N -0.65 -0.81 -0.70 1.92 4.81 -1.92 0.17 114.58 117.41 2axx h GLU 44 Ca -0.14 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 59.32 2axx h GLU 44 Cb 1.40 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.93 2axx h GLU 44 CO 0.05 -0.54 0.49 -0.24 -0.73 0.00 0.00 179.01 178.03 2axx h VAL 45 N -0.84 0.71 -0.16 0.32 3.04 -1.91 0.40 116.25 117.81 2axx h VAL 45 Ca -0.09 -0.05 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 2axx h VAL 45 Cb 0.64 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2axx h VAL 45 CO 0.14 0.03 -0.17 0.25 -1.01 0.00 0.00 177.57 176.81 2axx h LEU 46 N 0.16 0.42 -0.38 3.16 7.12 -1.12 -3.22 115.31 121.44 2axx h LEU 46 Ca 0.34 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2axx h LEU 46 Cb 1.11 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2axx h LEU 46 CO -0.05 0.83 0.00 -0.09 -0.13 0.00 0.00 178.44 178.99 2axx h ARG 47 N 0.02 0.00 -0.11 1.25 1.12 0.12 -3.35 114.38 113.43 2axx h ARG 47 Ca 0.02 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2axx h ARG 47 Cb 0.71 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.63 2axx h ARG 47 CO 0.04 0.00 -0.37 0.93 -3.11 0.00 0.00 179.97 177.46 2axx h GLU 48 N 0.00 -0.37 0.00 0.20 4.39 -0.31 -3.32 114.58 115.17 2axx h GLU 48 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2axx h GLU 48 Cb 0.80 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2axx h GLU 48 CO 0.00 -0.25 0.00 1.04 -1.16 0.00 0.00 179.01 178.64 2axx n GLN 49 N -4.52 0.00 -0.93 2.33 1.13 -1.26 -4.60 117.38 109.53 2axx n GLN 49 Ca -0.04 0.30 0.09 0.00 -1.94 0.00 0.00 57.00 55.41 2axx n GLN 49 Cb 0.25 -0.79 -0.03 0.00 0.11 0.00 0.00 30.24 29.78 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 -1.52 -2.88 -2.05 -1.58 0.00 -1.25 -4.80 120.51 106.43 2axx n ALA 50 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 2axx n ALA 50 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.02 0.41 0.00 0.00 0.00 0.12 -4.55 105.19 98.15 2axx n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.70 0.13 4.14 -0.02 0.00 -1.16 -2.75 105.19 104.83 2axx n GLY 52 Ca -0.20 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.37 2axx n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2axx n ASP 53 N 0.00 -0.63 -0.07 1.61 2.03 -1.26 -4.43 116.55 113.79 2axx n ASP 53 Ca 0.00 -1.10 0.02 0.00 0.52 0.00 0.00 54.79 54.22 2axx n ASP 53 Cb 0.00 -1.40 -0.00 0.00 -0.72 0.00 0.00 41.12 39.00 2axx n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2axx n ALA 54 N -3.82 2.47 0.05 -1.67 0.00 -1.26 -4.61 120.51 111.67 2axx n ALA 54 Ca -0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2axx n ALA 54 Cb 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 0.35 0.38 -0.23 0.00 2.02 -1.87 0.16 112.91 113.72 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 0.12 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 2axx h THR 55 CO 0.00 0.00 -0.19 -0.08 0.37 0.00 0.00 175.52 175.62 2axx h GLU 56 N -0.41 -0.19 -0.46 6.66 4.81 -1.93 0.18 114.58 123.25 2axx h GLU 56 Ca 0.07 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2axx h GLU 56 Cb 0.50 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2axx h GLU 56 CO -0.25 -0.12 0.07 -0.97 -0.73 0.00 0.00 179.01 177.01 2axx h ASN 57 N -0.19 0.73 -0.43 1.04 -0.73 -1.79 0.26 115.58 114.46 2axx h ASN 57 Ca 0.13 -0.26 0.03 0.00 1.87 0.00 0.00 56.30 58.07 2axx h ASN 57 Cb 0.40 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2axx h ASN 57 CO -0.35 0.81 0.24 0.15 -0.37 0.00 0.00 177.43 177.90 2axx h PHE 58 N 0.62 0.44 0.00 0.67 3.57 -0.20 -2.94 116.94 119.10 2axx h PHE 58 Ca 0.14 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2axx h PHE 58 Cb 0.39 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2axx h PHE 58 CO 0.03 0.24 -0.61 0.93 -2.23 0.00 0.00 178.31 176.67 2axx h GLU 59 N 0.48 0.00 -0.37 1.11 4.39 -0.31 0.28 114.58 120.15 2axx h GLU 59 Ca 0.18 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.95 2axx h GLU 59 Cb 0.05 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2axx h GLU 59 CO -0.10 0.61 -0.06 0.22 -1.16 0.00 0.00 179.01 178.52 2axx h ASP 60 N 0.00 -0.29 1.01 1.42 3.58 -0.32 -0.57 116.42 121.26 2axx h ASP 60 Ca -0.01 0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 2axx h ASP 60 Cb 1.25 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 2axx h ASP 60 CO 0.08 -0.10 -0.77 0.58 -2.88 0.00 0.00 179.24 176.15 2axx h VAL 61 N 0.03 1.42 0.00 2.25 2.07 -1.48 -3.48 116.25 117.06 2axx h VAL 61 Ca 0.18 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2axx h VAL 61 Cb 0.27 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2axx h VAL 61 CO -0.36 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.59 2axx n GLY 62 N 1.01 2.13 0.89 2.17 0.00 0.98 -4.90 105.19 107.47 2axx n GLY 62 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.42 -2.77 1.61 8.25 -1.26 -4.69 115.22 113.94 2axx n HIS 63 Ca 0.00 1.33 -0.26 0.00 -0.26 0.00 0.00 57.72 58.53 2axx n HIS 63 Cb 0.00 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 28.90 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 -5.42 6.15 0.38 0.41 0.01 -1.26 -4.97 113.70 109.00 2axx s SER 64 Ca 0.00 0.76 0.15 0.00 1.31 0.00 0.00 55.95 58.17 2axx s SER 64 Cb 0.00 -2.08 1.00 0.00 0.21 0.00 0.00 66.02 65.15 2axx s SER 64 CO 0.00 -0.59 1.81 0.74 0.41 0.00 0.00 173.24 175.61 2axx h THR 65 N 0.29 0.65 -0.75 1.44 2.02 -1.99 0.14 112.91 114.71 2axx h THR 65 Ca -0.47 -0.17 0.13 0.00 0.77 0.00 0.00 66.41 66.67 2axx h THR 65 Cb 1.22 0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 67.60 2axx h THR 65 CO 0.61 0.09 -0.30 0.44 0.37 0.00 0.00 175.52 176.73 2axx h ASP 66 N 0.50 -1.08 -0.06 4.18 3.32 -1.99 0.11 116.42 121.39 2axx h ASP 66 Ca 0.53 0.25 -0.09 0.00 0.02 0.00 0.00 57.03 57.74 2axx h ASP 66 Cb 1.19 0.59 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 2axx h ASP 66 CO -0.26 -0.29 -0.22 0.00 -1.72 0.00 0.00 179.24 176.76 2axx h ALA 67 N 1.35 1.16 -0.01 3.45 0.00 -1.10 -0.70 119.26 123.40 2axx h ALA 67 Ca 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2axx h ALA 67 Cb 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2axx h ALA 67 CO -0.79 0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.99 2axx h ARG 68 N 0.42 0.02 -0.59 0.00 3.08 -0.66 0.27 114.38 116.91 2axx h ARG 68 Ca 0.07 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2axx h ARG 68 Cb 0.61 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2axx h ARG 68 CO 0.04 0.19 0.16 1.05 -1.07 0.00 0.00 179.97 180.34 2axx h GLU 69 N -0.16 0.91 -0.82 0.04 -0.00 -0.79 -2.27 114.58 111.49 2axx h GLU 69 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2axx h GLU 69 Cb 0.18 -0.14 -0.04 0.00 -0.00 0.00 0.00 28.75 28.76 2axx h GLU 69 CO -0.00 0.80 0.52 1.25 -0.00 0.00 0.00 179.01 181.58 2axx h LEU 70 N 0.87 0.96 -0.64 3.06 5.85 -0.87 -1.97 115.31 122.58 2axx h LEU 70 Ca 0.19 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2axx h LEU 70 Cb 0.29 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 2axx h LEU 70 CO -0.00 0.72 0.22 0.77 -0.34 0.00 0.00 178.44 179.81 2axx h SER 71 N 1.12 0.19 -0.76 1.25 4.64 0.15 -1.11 113.55 119.03 2axx h SER 71 Ca 0.30 0.09 0.16 0.00 -0.47 0.00 0.00 61.79 61.86 2axx h SER 71 Cb -0.09 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.98 2axx h SER 71 CO -0.06 0.10 0.27 0.11 -0.87 0.00 0.00 176.83 176.38 2axx h LYS 72 N 0.39 0.37 -0.08 4.77 6.56 -1.26 0.32 116.57 127.64 2axx h LYS 72 Ca 0.33 -0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.92 2axx h LYS 72 Cb 0.44 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2axx h LYS 72 CO -0.34 0.25 0.11 1.15 -2.06 0.00 0.00 179.45 178.55 2axx h THR 73 N 0.38 0.38 -0.28 -0.16 2.02 -1.19 -0.96 112.91 113.10 2axx h THR 73 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 2axx h THR 73 Cb 0.69 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2axx h THR 73 CO -0.45 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.22 2axx n TYR 74 N -3.63 0.35 -2.06 3.16 4.01 0.10 -4.99 117.16 114.10 2axx n TYR 74 Ca -0.01 -0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 2axx n TYR 74 Cb 0.20 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.46 2.78 -0.09 -0.72 2.07 -0.37 -2.25 121.20 121.17 2axx s ILE 75 Ca 0.32 0.65 0.01 0.00 -1.41 0.00 0.00 60.65 60.23 2axx s ILE 75 Cb 0.20 -3.42 -0.07 0.00 0.13 0.00 0.00 42.46 39.30 2axx s ILE 75 CO 0.28 0.10 -0.07 2.30 -1.91 0.00 0.00 174.94 175.64 2axx n ILE 76 N 2.43 0.54 -2.18 2.00 -5.35 -0.59 -4.88 119.36 111.33 2axx n ILE 76 Ca 0.07 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2axx n ILE 76 Cb 0.41 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 3.00 1.47 3.27 3.28 0.00 -1.18 -4.25 105.19 110.78 2axx n GLY 77 Ca -0.16 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 1.55 1.15 0.20 1.61 2.02 -0.02 -0.85 118.70 124.36 2axx s GLU 78 Ca 0.00 -1.54 -0.30 0.00 0.02 0.00 0.00 54.97 53.15 2axx s GLU 78 Cb 0.00 -0.52 -0.08 0.00 0.10 0.00 0.00 34.13 33.63 2axx s GLU 78 CO 0.00 -0.03 1.18 -0.51 0.02 0.00 0.00 175.26 175.92 2axx s LEU 79 N -3.21 4.47 0.37 1.80 1.43 -1.26 -0.48 118.68 121.79 2axx s LEU 79 Ca 0.22 2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 55.29 2axx s LEU 79 Cb 0.05 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 2axx s LEU 79 CO 0.04 -0.33 1.49 1.57 0.23 0.00 0.00 176.35 179.34 2axx n HIS 80 N 2.23 2.94 0.22 0.29 -0.00 0.56 -4.64 115.22 116.81 2axx n HIS 80 Ca 0.03 0.43 0.10 0.00 -0.00 0.00 0.00 57.72 58.28 2axx n HIS 80 Cb 0.45 -2.53 0.47 0.00 -0.00 0.00 0.00 29.99 28.38 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 0.62 0.13 -0.31 1.57 -0.04 -1.26 -2.80 135.00 132.91 2axx n PRO 81 Ca 0.02 0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2axx n PRO 81 Cb 0.38 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 2axx n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2axx n ASP 82 N -2.11 -0.78 0.00 3.54 2.03 -1.26 -0.97 116.55 117.00 2axx n ASP 82 Ca -0.00 1.47 0.03 0.00 0.52 0.00 0.00 54.79 56.81 2axx n ASP 82 Cb 0.09 -0.25 0.19 0.00 -0.72 0.00 0.00 41.12 40.42 2axx n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2axx n ASP 83 N -4.72 0.00 0.31 1.67 2.03 -1.12 -4.11 116.55 110.61 2axx n ASP 83 Ca 0.01 -1.75 0.17 0.00 0.52 0.00 0.00 54.79 53.75 2axx n ASP 83 Cb 0.19 0.00 0.98 0.00 -0.72 0.00 0.00 41.12 41.57 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 0.00 0.00 0.00 -0.67 -0.00 -1.22 0.15 114.38 112.64 2axx h ARG 84 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2axx h ARG 84 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2axx h ARG 84 CO 0.00 0.02 -0.13 1.03 -0.00 0.00 0.00 179.97 180.89 2axx h SER 85 N 0.00 0.00 -0.60 0.08 0.87 -1.79 -3.36 113.55 108.76 2axx h SER 85 Ca -0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2axx h SER 85 Cb 0.06 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 61.65 2axx h SER 85 CO 0.00 0.13 -1.06 0.29 -0.53 0.00 0.00 176.83 175.67 2axx n LYS 86 N -3.22 1.46 -1.71 2.24 4.76 0.43 -5.11 118.16 117.01 2axx n LYS 86 Ca 0.01 -3.17 -0.66 0.00 -2.87 0.00 0.00 58.31 51.62 2axx n LYS 86 Cb 0.43 -1.26 -0.09 0.00 -1.84 0.00 0.00 35.03 32.27 2axx n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2axx n ILE 87 N -0.46 0.03 -1.25 -0.18 5.41 -0.58 -4.32 119.36 118.01 2axx n ILE 87 Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2axx n ILE 87 Cb 0.82 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 2axx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2axx n ALA 88 N 3.80 -2.54 -3.76 -1.39 0.00 -1.26 -5.06 120.51 110.30 2axx n ALA 88 Ca 0.29 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 2axx n ALA 88 Cb -0.02 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.30 2axx n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2axx s LYS 89 N -1.87 2.74 -0.03 0.00 2.36 -1.26 -5.09 119.74 116.59 2axx s LYS 89 Ca 0.00 -0.75 -0.30 0.00 -2.55 0.00 0.00 55.97 52.37 2axx s LYS 89 Cb 0.00 -2.28 -0.05 0.00 -1.05 0.00 0.00 37.83 34.45 2axx s LYS 89 CO 0.00 -0.07 1.48 -1.25 1.55 0.00 0.00 175.35 177.06 2axx s PRO 90 N 0.98 4.24 0.07 4.03 0.04 -1.26 -4.99 135.00 138.11 2axx s PRO 90 Ca -0.04 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 2axx s PRO 90 Cb -0.15 -3.72 0.02 0.00 0.04 0.00 0.00 34.50 30.69 2axx s PRO 90 CO -0.04 -0.69 0.31 -1.12 0.04 0.00 0.00 177.00 175.50 2axx s SER 91 N 2.38 -0.12 -0.06 6.66 0.01 -1.26 -5.17 113.70 116.14 2axx s SER 91 Ca 0.67 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.70 2axx s SER 91 Cb -0.32 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.29 2axx s SER 91 CO 0.26 -0.68 -0.20 -1.61 0.41 0.00 0.00 173.24 171.42 2axx s GLU 92 N -2.99 2.17 0.15 12.44 0.41 -1.26 -5.11 118.70 124.50 2axx s GLU 92 Ca -0.02 -0.71 -0.24 0.00 -0.41 0.00 0.00 54.97 53.59 2axx s GLU 92 Cb 0.01 -1.82 0.07 0.00 -1.78 0.00 0.00 34.13 30.61 2axx s GLU 92 CO -0.06 0.26 0.62 0.99 -0.49 0.00 0.00 175.26 176.58 2axx s THR 93 N 0.08 0.00 0.00 3.63 2.01 -1.26 -5.26 115.64 114.84 2axx s THR 93 Ca -0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2axx s THR 93 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.38 2axx s THR 93 CO 0.04 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 173.86