#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 3.58 -0.12 -1.24 4.81 -1.26 -4.89 118.16 119.04 2axx n LYS 2 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 2axx n LYS 2 Cb 0.00 0.00 0.44 0.00 0.02 0.00 0.00 35.03 35.49 2axx n LYS 2 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2axx h ASP 3 N 0.00 0.49 0.00 3.14 3.32 -2.06 -3.42 116.42 117.89 2axx h ASP 3 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2axx h ASP 3 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2axx h ASP 3 CO 0.00 0.30 0.00 1.33 -1.72 0.00 0.00 179.24 179.15 2axx n VAL 4 N -4.48 0.00 -2.72 -1.35 0.24 -1.26 -5.03 118.33 103.73 2axx n VAL 4 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.34 2axx n VAL 4 Cb 0.32 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.74 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2axx n LYS 5 N 0.00 0.47 -2.05 7.34 5.02 -1.25 -4.78 118.16 122.91 2axx n LYS 5 Ca 0.00 -1.33 -0.43 0.00 -2.02 0.00 0.00 58.31 54.53 2axx n LYS 5 Cb 0.00 -0.91 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.54 2.01 -0.02 2.13 2.02 -1.26 -1.33 117.35 121.45 2axx s TYR 6 Ca 0.29 0.43 0.04 0.00 -0.37 0.00 0.00 57.07 57.46 2axx s TYR 6 Cb 0.19 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.78 2axx s TYR 6 CO -0.16 -3.30 -0.14 0.71 -1.57 0.00 0.00 175.55 171.09 2axx s TYR 7 N 4.99 1.35 0.83 2.71 2.02 -0.73 -4.80 117.35 123.72 2axx s TYR 7 Ca 0.74 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 57.00 2axx s TYR 7 Cb -0.28 -0.90 0.10 0.00 -0.40 0.00 0.00 41.96 40.48 2axx s TYR 7 CO 0.30 -0.08 1.19 0.95 -1.57 0.00 0.00 175.55 176.34 2axx s THR 8 N -0.14 2.02 0.03 -0.71 -4.23 -1.26 -0.59 115.64 110.77 2axx s THR 8 Ca 0.01 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.20 2axx s THR 8 Cb -0.08 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.60 2axx s THR 8 CO 0.00 0.00 1.28 -0.07 -0.54 0.00 0.00 174.62 175.30 2axx h LEU 9 N -1.12 -0.81 -1.00 4.79 -0.00 -1.97 -1.69 115.31 113.51 2axx h LEU 9 Ca -0.46 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.52 2axx h LEU 9 Cb 1.31 0.21 -0.07 0.00 -0.00 0.00 0.00 40.66 42.11 2axx h LEU 9 CO 0.60 -0.47 0.64 1.05 -0.00 0.00 0.00 178.44 180.27 2axx h GLU 10 N -1.17 1.07 0.08 1.13 4.11 -1.95 0.22 114.58 118.08 2axx h GLU 10 Ca -0.10 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.28 2axx h GLU 10 Cb 0.76 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2axx h GLU 10 CO 0.16 0.71 -0.39 1.49 0.07 0.00 0.00 179.01 181.05 2axx h GLU 11 N 1.10 -0.53 -0.43 1.06 4.57 -1.92 0.18 114.58 118.61 2axx h GLU 11 Ca 0.46 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.66 2axx h GLU 11 Cb 0.29 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2axx h GLU 11 CO -0.21 -0.35 0.21 0.82 -1.18 0.00 0.00 179.01 178.29 2axx h ILE 12 N -0.55 1.15 -0.47 2.32 2.04 -0.44 -0.81 117.51 120.73 2axx h ILE 12 Ca -0.00 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2axx h ILE 12 Cb 0.56 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2axx h ILE 12 CO -0.22 0.17 0.17 -0.61 0.00 0.00 0.00 178.15 177.66 2axx h GLN 13 N 0.60 0.69 0.00 2.37 4.15 -0.14 -0.44 115.11 122.33 2axx h GLN 13 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2axx h GLN 13 Cb 0.06 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2axx h GLN 13 CO -0.02 0.59 0.00 0.87 -1.93 0.00 0.00 178.83 178.33 2axx h LYS 14 N 0.68 0.00 -5.00 1.69 1.57 0.50 -3.40 116.57 112.61 2axx h LYS 14 Ca 0.16 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.25 2axx h LYS 14 Cb 0.17 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.31 2axx h LYS 14 CO -0.01 0.00 0.72 -1.01 -0.57 0.00 0.00 179.45 178.58 2axx s HIS 15 N -3.29 3.09 0.20 -1.35 3.76 -0.18 -4.63 115.29 112.91 2axx s HIS 15 Ca 0.06 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.67 2axx s HIS 15 Cb 0.10 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.54 2axx s HIS 15 CO 0.51 -1.47 0.00 1.63 -0.85 0.00 0.00 174.74 174.56 2axx n LYS 16 N 6.55 0.00 0.00 1.40 5.02 -1.25 -3.50 118.16 126.38 2axx n LYS 16 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2axx n LYS 16 Cb 0.48 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 2axx n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2axx n ASP 17 N -3.46 -1.10 -0.10 4.39 2.03 -1.26 -3.68 116.55 113.37 2axx n ASP 17 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 2axx n ASP 17 Cb 0.01 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.33 2axx n ASP 17 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2axx n SER 18 N -3.24 2.00 -0.11 1.67 3.41 -1.26 -4.82 113.62 111.27 2axx n SER 18 Ca 0.00 0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.53 2axx n SER 18 Cb 0.00 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 2axx n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2axx n LYS 19 N -3.46 0.66 -0.89 4.33 4.81 -1.26 -4.67 118.16 117.68 2axx n LYS 19 Ca -0.36 0.11 -0.28 0.00 -0.87 0.00 0.00 58.31 56.91 2axx n LYS 19 Cb 0.82 -1.46 -0.02 0.00 0.02 0.00 0.00 35.03 34.39 2axx n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2axx n SER 20 N -3.08 4.72 -4.58 3.14 7.64 -1.26 -4.34 113.62 115.86 2axx n SER 20 Ca -0.38 -2.42 -0.42 0.00 1.01 0.00 0.00 58.87 56.66 2axx n SER 20 Cb 0.95 -1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2axx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2axx s THR 21 N 3.61 3.85 0.13 0.44 2.01 -1.24 -3.88 115.64 120.55 2axx s THR 21 Ca 0.45 0.73 0.04 0.00 0.31 0.00 0.00 61.69 63.22 2axx s THR 21 Cb 0.12 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2axx s THR 21 CO -0.01 -1.22 0.14 0.26 -0.69 0.00 0.00 174.62 173.10 2axx s TRP 22 N 5.75 3.23 0.13 4.92 0.52 -1.26 -1.65 118.94 130.57 2axx s TRP 22 Ca 0.50 0.05 -0.19 0.00 0.02 0.00 0.00 56.10 56.48 2axx s TRP 22 Cb -0.10 -1.58 0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2axx s TRP 22 CO 0.25 0.52 0.47 0.14 0.02 0.00 0.00 176.95 178.35 2axx s VAL 23 N -1.62 0.05 -0.08 4.03 -7.23 -1.06 -0.60 120.40 113.88 2axx s VAL 23 Ca 0.31 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2axx s VAL 23 Cb -0.11 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.73 2axx s VAL 23 CO 0.24 -0.21 -0.21 0.27 -0.31 0.00 0.00 175.10 174.88 2axx s ILE 24 N -3.72 1.82 -0.25 -0.62 -5.25 -1.22 -1.29 121.20 110.66 2axx s ILE 24 Ca 0.02 -0.89 -0.03 0.00 -0.99 0.00 0.00 60.65 58.75 2axx s ILE 24 Cb 0.01 -1.58 0.09 0.00 2.95 0.00 0.00 42.46 43.93 2axx s ILE 24 CO -0.12 0.51 0.10 -0.76 -1.79 0.00 0.00 174.94 172.88 2axx s LEU 25 N 0.30 0.89 -0.68 0.37 1.43 0.21 -2.27 118.68 118.92 2axx s LEU 25 Ca -0.14 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 51.80 2axx s LEU 25 Cb -0.16 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 2axx s LEU 25 CO 0.07 -0.40 0.58 1.41 0.23 0.00 0.00 176.35 178.24 2axx n HIS 26 N 5.16 -1.37 -1.40 0.29 8.25 -1.26 -3.04 115.22 121.85 2axx n HIS 26 Ca -0.06 0.54 -0.15 0.00 -0.26 0.00 0.00 57.72 57.80 2axx n HIS 26 Cb 0.44 -3.69 -0.06 0.00 1.12 0.00 0.00 29.99 27.79 2axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2axx n HIS 27 N -2.73 -0.17 -4.65 4.41 8.25 -1.26 -4.95 115.22 114.11 2axx n HIS 27 Ca -0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.08 2axx n HIS 27 Cb 0.59 -2.84 -0.14 0.00 1.12 0.00 0.00 29.99 28.72 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 -3.19 1.44 -0.12 -0.41 1.02 -1.17 -1.16 119.74 116.14 2axx s LYS 28 Ca 0.00 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 54.94 2axx s LYS 28 Cb 0.00 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 2axx s LYS 28 CO 0.00 0.40 0.03 0.08 -0.92 0.00 0.00 175.35 174.94 2axx s VAL 29 N -0.84 4.50 -0.05 3.17 1.01 -1.16 -0.62 120.40 126.41 2axx s VAL 29 Ca 0.08 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2axx s VAL 29 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2axx s VAL 29 CO 0.02 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.21 2axx s TYR 30 N -0.40 1.62 -0.26 5.22 1.51 -0.41 -1.29 117.35 123.33 2axx s TYR 30 Ca 0.08 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 2axx s TYR 30 Cb -0.12 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2axx s TYR 30 CO 0.02 -0.19 0.33 0.34 -1.11 0.00 0.00 175.55 174.93 2axx s ASP 31 N 0.20 6.22 -0.22 2.29 -1.08 -0.95 -2.57 116.67 120.56 2axx s ASP 31 Ca -0.07 0.25 0.12 0.00 -0.52 0.00 0.00 52.55 52.34 2axx s ASP 31 Cb -0.12 -2.19 0.44 0.00 -1.46 0.00 0.00 42.92 39.58 2axx s ASP 31 CO 0.03 -0.13 1.31 0.18 0.52 0.00 0.00 175.17 177.08 2axx n LEU 32 N 5.09 3.23 -0.16 -1.34 4.77 -0.66 -4.82 117.00 123.11 2axx n LEU 32 Ca -0.10 -3.64 -0.02 0.00 -0.03 0.00 0.00 56.01 52.23 2axx n LEU 32 Cb 0.51 -0.55 0.21 0.00 -2.33 0.00 0.00 43.42 41.26 2axx n LEU 32 CO 0.37 1.17 1.06 0.74 -1.33 0.00 0.00 177.39 179.39 2axx h THR 33 N 0.90 1.22 -0.63 -5.08 2.02 -1.76 0.15 112.91 109.73 2axx h THR 33 Ca 0.07 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2axx h THR 33 Cb 1.26 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2axx h THR 33 CO 0.15 0.27 0.00 0.29 0.37 0.00 0.00 175.52 176.60 2axx n LYS 34 N -4.32 3.52 0.00 6.66 4.76 -1.26 -4.32 118.16 123.19 2axx n LYS 34 Ca 0.05 -2.81 0.02 0.00 -2.87 0.00 0.00 58.31 52.70 2axx n LYS 34 Cb 0.16 -1.81 -0.01 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.09 0.00 0.02 2.13 7.35 0.38 -4.64 117.46 123.79 2axx n PHE 35 Ca 0.25 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.85 2axx n PHE 35 Cb 0.83 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.60 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 0.31 -0.88 -0.21 -2.13 3.38 -1.33 0.25 115.31 114.70 2axx h LEU 36 Ca 0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2axx h LEU 36 Cb 0.12 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2axx h LEU 36 CO 0.00 -0.27 -0.07 -0.08 0.09 0.00 0.00 178.44 178.10 2axx h GLU 37 N -0.35 0.43 -0.94 1.13 4.57 -1.87 -2.25 114.58 115.30 2axx h GLU 37 Ca 0.01 -0.17 0.16 0.00 -1.18 0.00 0.00 59.36 58.18 2axx h GLU 37 Cb 0.38 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 2axx h GLU 37 CO -0.20 0.69 0.60 0.93 -1.18 0.00 0.00 179.01 179.85 2axx h GLU 38 N 0.14 0.68 -6.04 1.92 4.39 -1.76 -3.42 114.58 110.49 2axx h GLU 38 Ca 0.05 -0.04 -0.78 0.00 0.34 0.00 0.00 59.36 58.93 2axx h GLU 38 Cb 0.55 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2axx h GLU 38 CO 0.03 0.45 1.02 1.58 -1.16 0.00 0.00 179.01 180.93 2axx n HIS 39 N -4.61 1.68 -1.83 4.33 -0.00 0.86 -4.79 115.22 110.88 2axx n HIS 39 Ca 0.19 0.73 -0.32 0.00 0.46 0.00 0.00 57.72 58.79 2axx n HIS 39 Cb 0.52 -2.36 -0.06 0.00 -0.12 0.00 0.00 29.99 27.97 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 5.94 1.55 0.00 1.57 -0.04 -1.26 -0.64 135.00 142.12 2axx n PRO 40 Ca 0.37 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 2axx n PRO 40 Cb 0.05 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 29.98 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 5.48 1.19 0.00 0.55 0.00 -1.26 -5.17 105.19 105.98 2axx n GLY 41 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 2.51 0.07 -0.02 0.00 0.19 -4.88 105.19 103.05 2axx n GLY 42 Ca 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.36 1.61 4.81 -1.66 -3.39 114.58 115.59 2axx h GLU 43 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2axx h GLU 43 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 2axx h GLU 43 CO 0.00 0.76 -0.24 1.49 -0.73 0.00 0.00 179.01 180.28 2axx h GLU 44 N -1.00 -0.19 -0.70 1.92 4.81 -1.91 0.20 114.58 117.72 2axx h GLU 44 Ca -0.01 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2axx h GLU 44 Cb 0.76 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.09 2axx h GLU 44 CO -0.00 -0.13 0.19 -0.39 -0.73 0.00 0.00 179.01 177.95 2axx h VAL 45 N -0.20 0.58 0.25 0.32 -1.51 -1.90 0.30 116.25 114.10 2axx h VAL 45 Ca 0.17 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.53 2axx h VAL 45 Cb 0.47 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 2axx h VAL 45 CO -0.47 0.05 -0.12 -0.07 -1.23 0.00 0.00 177.57 175.73 2axx h LEU 46 N 0.30 -0.28 -1.65 4.19 -0.00 -0.93 -2.88 115.31 114.05 2axx h LEU 46 Ca 0.38 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.20 2axx h LEU 46 Cb 0.61 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2axx h LEU 46 CO -0.45 -0.09 0.28 -0.09 -0.00 0.00 0.00 178.44 178.09 2axx h ARG 47 N -0.47 0.44 0.20 1.13 1.12 0.79 0.83 114.38 118.42 2axx h ARG 47 Ca -0.03 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2axx h ARG 47 Cb 0.36 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2axx h ARG 47 CO 0.06 0.29 -0.09 0.93 -3.11 0.00 0.00 179.97 178.04 2axx h GLU 48 N 0.45 -0.26 0.00 0.20 4.39 -0.44 -3.13 114.58 115.80 2axx h GLU 48 Ca 0.17 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 2axx h GLU 48 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2axx h GLU 48 CO -0.04 -0.11 -0.36 0.37 -1.16 0.00 0.00 179.01 177.71 2axx h GLN 49 N -0.34 0.00 -4.94 2.33 -0.00 -1.11 -3.47 115.11 107.56 2axx h GLN 49 Ca -0.03 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.02 2axx h GLN 49 Cb 0.27 0.00 0.06 0.00 0.00 0.00 0.00 27.48 27.81 2axx h GLN 49 CO 0.04 0.36 -0.16 0.00 0.00 0.00 0.00 178.83 179.07 2axx n ALA 50 N -2.20 -2.86 -2.98 3.38 0.00 0.20 -3.17 120.51 112.88 2axx n ALA 50 Ca 0.02 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 2axx n ALA 50 Cb 0.65 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.42 -1.19 0.00 0.00 0.00 0.23 -4.87 105.19 100.78 2axx n GLY 51 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.73 0.70 3.55 -0.02 0.00 -1.19 -4.72 105.19 101.78 2axx n GLY 52 Ca -0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2axx n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2axx s ASP 53 N 0.00 4.90 0.00 1.61 1.01 -1.26 -3.38 116.67 119.56 2axx s ASP 53 Ca 0.00 0.60 0.24 0.00 0.71 0.00 0.00 52.55 54.10 2axx s ASP 53 Cb 0.00 -2.52 0.32 0.00 1.01 0.00 0.00 42.92 41.73 2axx s ASP 53 CO 0.00 -2.62 1.29 0.00 0.21 0.00 0.00 175.17 174.05 2axx n ALA 54 N 14.16 3.79 -0.18 5.23 0.00 -0.96 -4.43 120.51 138.11 2axx n ALA 54 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2axx n ALA 54 Cb 0.53 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.99 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 0.36 0.25 -0.76 0.00 2.02 -1.81 0.11 112.91 113.09 2axx h THR 55 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 2axx h THR 55 Cb 0.52 0.25 -0.13 0.00 -1.74 0.00 0.00 68.15 67.05 2axx h THR 55 CO 0.00 0.00 0.06 -0.33 0.37 0.00 0.00 175.52 175.62 2axx h GLU 56 N -0.13 0.14 -0.09 6.66 3.07 -1.91 0.23 114.58 122.54 2axx h GLU 56 Ca 0.24 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.98 2axx h GLU 56 Cb 0.52 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2axx h GLU 56 CO -0.64 0.09 -0.37 -0.97 -1.40 0.00 0.00 179.01 175.73 2axx h ASN 57 N 0.14 0.48 -0.63 1.42 -0.73 -1.18 0.26 115.58 115.35 2axx h ASN 57 Ca 0.43 -0.63 0.05 0.00 1.87 0.00 0.00 56.30 58.02 2axx h ASN 57 Cb 0.76 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.16 2axx h ASN 57 CO -0.63 1.03 0.35 0.15 -0.37 0.00 0.00 177.43 177.96 2axx h PHE 58 N -0.04 0.65 0.00 0.67 3.04 -0.42 -2.20 116.94 118.64 2axx h PHE 58 Ca -0.02 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.75 2axx h PHE 58 Cb 1.01 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 2axx h PHE 58 CO 0.12 0.32 -0.89 0.93 -2.02 0.00 0.00 178.31 176.78 2axx h GLU 59 N 0.66 0.25 -0.50 1.11 4.39 -0.46 0.22 114.58 120.25 2axx h GLU 59 Ca 0.28 -0.27 0.10 0.00 0.34 0.00 0.00 59.36 59.80 2axx h GLU 59 Cb 0.15 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 2axx h GLU 59 CO -0.16 0.99 -0.17 0.22 -1.16 0.00 0.00 179.01 178.73 2axx h ASP 60 N 0.14 -0.60 0.04 1.42 1.82 -0.21 -2.10 116.42 116.93 2axx h ASP 60 Ca -0.05 0.17 -0.21 0.00 -0.39 0.00 0.00 57.03 56.55 2axx h ASP 60 Cb 1.51 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.89 2axx h ASP 60 CO 0.14 -0.21 -0.76 0.58 -1.61 0.00 0.00 179.24 177.39 2axx h VAL 61 N -0.05 1.32 0.00 2.25 2.07 -1.23 -3.49 116.25 117.12 2axx h VAL 61 Ca 0.24 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2axx h VAL 61 Cb 0.42 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2axx h VAL 61 CO -0.55 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2axx n GLY 62 N 0.63 2.96 3.29 2.17 0.00 0.74 -4.94 105.19 110.04 2axx n GLY 62 Ca -0.06 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.80 -4.60 1.61 8.25 -1.25 -4.68 115.22 111.75 2axx n HIS 63 Ca 0.00 1.12 -0.24 0.00 -0.26 0.00 0.00 57.72 58.33 2axx n HIS 63 Cb 0.00 -3.37 -0.14 0.00 1.12 0.00 0.00 29.99 27.60 2axx n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2axx s SER 64 N -2.66 2.24 -1.96 0.41 1.04 -1.26 -4.10 113.70 107.41 2axx s SER 64 Ca 0.12 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2axx s SER 64 Cb -0.02 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2axx s SER 64 CO 0.82 0.14 0.00 0.41 0.98 0.00 0.00 173.24 175.58 2axx n THR 65 N 1.95 -0.41 0.00 2.02 -1.04 -1.26 -4.63 114.28 110.91 2axx n THR 65 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2axx n THR 65 Cb 0.54 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 2axx n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2axx n ASP 66 N -1.59 0.00 0.26 8.00 8.00 -1.26 -4.90 116.55 125.06 2axx n ASP 66 Ca -0.22 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.40 2axx n ASP 66 Cb 0.67 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 42.48 2axx n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2axx h ALA 67 N 0.82 1.32 -0.93 2.24 0.00 -1.82 -0.71 119.26 120.18 2axx h ALA 67 Ca 0.00 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.02 2axx h ALA 67 Cb 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 2axx h ALA 67 CO 0.00 0.15 0.48 0.00 0.00 0.00 0.00 179.25 179.88 2axx h ARG 68 N 0.00 0.49 0.05 0.00 3.08 -1.90 0.41 114.38 116.51 2axx h ARG 68 Ca -0.00 -0.03 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 2axx h ARG 68 Cb 0.33 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2axx h ARG 68 CO 0.02 0.33 -2.08 -0.85 -1.07 0.00 0.00 179.97 176.32 2axx n GLU 69 N -4.96 0.69 -0.06 0.04 -0.00 -0.51 -4.35 120.64 111.49 2axx n GLU 69 Ca 0.23 0.21 -0.13 0.00 -0.00 0.00 0.00 57.16 57.48 2axx n GLU 69 Cb 0.66 -1.67 -0.06 0.00 -0.00 0.00 0.00 31.44 30.37 2axx n GLU 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2axx h LEU 70 N 0.03 0.42 -0.61 -1.84 5.85 -0.76 -3.04 115.31 115.35 2axx h LEU 70 Ca -0.44 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 57.97 2axx h LEU 70 Cb 2.03 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.84 2axx h LEU 70 CO 0.04 0.77 0.00 0.77 -0.34 0.00 0.00 178.44 179.68 2axx h SER 71 N 0.07 -0.27 -0.76 1.25 4.64 -0.43 0.16 113.55 118.21 2axx h SER 71 Ca 0.04 0.15 0.18 0.00 -0.47 0.00 0.00 61.79 61.68 2axx h SER 71 Cb 0.63 0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 62.87 2axx h SER 71 CO 0.03 -0.11 0.13 0.11 -0.87 0.00 0.00 176.83 176.12 2axx h LYS 72 N 0.12 0.20 0.00 4.77 1.79 -1.71 0.44 116.57 122.17 2axx h LYS 72 Ca 0.32 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 2axx h LYS 72 Cb 0.51 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2axx h LYS 72 CO -0.52 0.13 -0.06 1.15 -1.08 0.00 0.00 179.45 179.06 2axx h THR 73 N 0.20 0.59 -0.03 -0.16 2.02 -0.65 -2.23 112.91 112.65 2axx h THR 73 Ca 0.44 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2axx h THR 73 Cb 0.78 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2axx h THR 73 CO -0.58 0.06 -0.09 -1.22 0.37 0.00 0.00 175.52 174.06 2axx n TYR 74 N -3.79 0.00 -2.26 3.16 4.01 0.13 -4.97 117.16 113.44 2axx n TYR 74 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2axx n TYR 74 Cb 0.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.09 3.56 -0.24 -0.72 2.07 0.27 -2.24 121.20 121.81 2axx s ILE 75 Ca 0.27 1.12 -0.17 0.00 -1.41 0.00 0.00 60.65 60.46 2axx s ILE 75 Cb 0.20 -3.72 -0.14 0.00 0.13 0.00 0.00 42.46 38.93 2axx s ILE 75 CO 0.35 0.09 -0.11 2.30 -1.91 0.00 0.00 174.94 175.66 2axx n ILE 76 N 3.92 1.52 0.00 2.00 -5.35 -0.41 -4.89 119.36 116.15 2axx n ILE 76 Ca 0.10 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2axx n ILE 76 Cb 0.44 -2.00 0.00 0.00 -1.74 0.00 0.00 39.64 36.34 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 1.36 2.47 3.70 3.28 0.00 -1.18 -3.88 105.19 110.94 2axx n GLY 77 Ca -0.41 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2axx s GLU 78 N 3.82 1.86 0.32 1.61 -1.05 -0.44 -2.98 118.70 121.85 2axx s GLU 78 Ca 0.00 -1.32 -0.29 0.00 -0.15 0.00 0.00 54.97 53.21 2axx s GLU 78 Cb 0.00 0.54 -0.11 0.00 -0.44 0.00 0.00 34.13 34.12 2axx s GLU 78 CO 0.00 -0.82 1.58 -0.11 0.95 0.00 0.00 175.26 176.85 2axx n LEU 79 N -0.47 4.57 -4.67 1.83 -0.00 -0.31 -1.78 117.00 116.18 2axx n LEU 79 Ca -0.04 1.17 -0.44 0.00 -0.00 0.00 0.00 56.01 56.70 2axx n LEU 79 Cb 0.61 -1.61 -0.02 0.00 -0.00 0.00 0.00 43.42 42.39 2axx n LEU 79 CO 0.23 0.20 0.93 1.57 -0.00 0.00 0.00 177.39 180.31 2axx n HIS 80 N 1.65 2.07 1.39 1.96 -0.00 0.24 -4.68 115.22 117.86 2axx n HIS 80 Ca 0.06 0.50 0.04 0.00 -0.00 0.00 0.00 57.72 58.33 2axx n HIS 80 Cb 0.38 -2.42 0.26 0.00 -0.00 0.00 0.00 29.99 28.21 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 1.50 0.70 -0.04 1.57 -0.04 -1.26 -2.42 135.00 135.00 2axx n PRO 81 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2axx n PRO 81 Cb 0.32 -1.20 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2axx n PRO 81 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2axx h ASP 82 N 0.00 0.00 -0.92 3.54 5.19 -1.99 -3.38 116.42 118.86 2axx h ASP 82 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 2axx h ASP 82 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 2axx h ASP 82 CO 0.00 0.44 1.01 0.47 -3.12 0.00 0.00 179.24 178.04 2axx n ASP 83 N -4.17 6.87 -0.04 6.45 8.00 -1.02 -3.80 116.55 128.83 2axx n ASP 83 Ca -0.01 -3.07 -0.03 0.00 0.71 0.00 0.00 54.79 52.39 2axx n ASP 83 Cb 0.04 -1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 39.75 2axx n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2axx n ARG 84 N 1.42 1.68 -0.14 -1.24 1.85 -1.20 -4.52 116.66 114.51 2axx n ARG 84 Ca 0.53 -0.03 0.09 0.00 -1.00 0.00 0.00 57.85 57.45 2axx n ARG 84 Cb 0.50 -1.30 0.15 0.00 -1.05 0.00 0.00 32.46 30.76 2axx n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2axx n SER 85 N -2.30 2.33 -2.35 2.89 7.64 -1.25 -4.74 113.62 115.85 2axx n SER 85 Ca -0.15 -3.18 -0.02 0.00 1.01 0.00 0.00 58.87 56.54 2axx n SER 85 Cb 0.74 -0.44 0.09 0.00 -1.01 0.00 0.00 64.21 63.58 2axx n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2axx n LYS 86 N -1.38 0.92 -1.76 1.43 5.02 -1.26 -5.09 118.16 116.04 2axx n LYS 86 Ca 0.17 -0.90 -0.26 0.00 -2.02 0.00 0.00 58.31 55.30 2axx n LYS 86 Cb 0.65 0.25 -0.05 0.00 -0.02 0.00 0.00 35.03 35.87 2axx n LYS 86 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2axx s ILE 87 N 0.09 3.17 0.00 -0.18 1.01 -1.26 -4.88 121.20 119.16 2axx s ILE 87 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2axx s ILE 87 Cb 0.30 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2axx s ILE 87 CO -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 174.94 174.46 2axx n ALA 88 N 15.92 0.00 -1.70 9.38 0.00 -1.26 -5.11 120.51 137.74 2axx n ALA 88 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 2axx n ALA 88 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 2.43 3.25 0.79 0.00 0.00 -1.26 -5.04 119.74 119.90 2axx s LYS 89 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 55.97 57.36 2axx s LYS 89 Cb 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 37.83 35.89 2axx s LYS 89 CO 0.00 -0.91 1.09 -1.25 0.00 0.00 0.00 175.35 174.27 2axx s PRO 90 N -3.55 2.14 0.00 1.78 0.04 -1.26 -5.02 135.00 129.13 2axx s PRO 90 Ca 0.70 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2axx s PRO 90 Cb -0.22 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2axx s PRO 90 CO 0.31 -1.68 0.70 0.45 0.04 0.00 0.00 177.00 176.82 2axx n SER 91 N -3.53 0.00 -4.45 6.66 2.88 -1.26 -4.72 113.62 109.21 2axx n SER 91 Ca 0.08 0.82 -0.36 0.00 -1.33 0.00 0.00 58.87 58.08 2axx n SER 91 Cb 0.54 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 63.42 2axx n SER 91 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2axx s GLU 92 N -2.32 3.65 0.05 -1.46 2.02 -1.26 -5.08 118.70 114.30 2axx s GLU 92 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.20 2axx s GLU 92 Cb 0.00 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.87 2axx s GLU 92 CO 0.00 -0.17 1.31 0.99 0.02 0.00 0.00 175.26 177.41 2axx s THR 93 N 1.54 3.75 0.00 3.63 2.01 -1.26 -4.98 115.64 120.33 2axx s THR 93 Ca 0.06 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.28 2axx s THR 93 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2axx s THR 93 CO 0.03 0.06 0.00 -0.11 -0.69 0.00 0.00 174.62 173.91