#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa n ASP 2 N 0.00 0.00 -2.64 4.04 2.03 -1.26 -0.63 116.55 118.09 1xoa n ASP 2 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1xoa n ASP 2 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1xoa n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xoa n LYS 3 N 0.00 1.87 -4.21 -0.67 5.02 -1.26 -5.06 118.16 113.85 1xoa n LYS 3 Ca 0.00 -3.58 -0.34 0.00 -2.02 0.00 0.00 58.31 52.37 1xoa n LYS 3 Cb 0.00 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.31 1xoa n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xoa s ILE 4 N -3.80 4.45 0.23 -0.18 1.01 0.20 -4.24 121.20 118.87 1xoa s ILE 4 Ca 0.32 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 1xoa s ILE 4 Cb 0.39 -2.95 -0.08 0.00 0.01 0.00 0.00 42.46 39.83 1xoa s ILE 4 CO -0.02 0.52 0.68 -0.63 0.00 0.00 0.00 174.94 175.49 1xoa s ILE 5 N -0.03 4.67 -0.38 2.92 1.01 -0.26 -4.68 121.20 124.45 1xoa s ILE 5 Ca 0.04 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.76 1xoa s ILE 5 Cb -0.13 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.68 1xoa s ILE 5 CO 0.02 0.12 0.15 -1.00 0.00 0.00 0.00 174.94 174.22 1xoa s HIS 6 N -1.62 3.65 0.48 3.97 3.76 -1.26 0.13 115.29 124.40 1xoa s HIS 6 Ca 0.44 -2.62 -0.02 0.00 -0.15 0.00 0.00 55.06 52.72 1xoa s HIS 6 Cb -0.15 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.42 1xoa s HIS 6 CO 0.20 -0.96 0.73 -0.51 -0.85 0.00 0.00 174.74 173.35 1xoa s LEU 7 N 1.06 3.56 0.16 0.89 1.43 0.08 -4.99 118.68 120.86 1xoa s LEU 7 Ca 0.09 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1xoa s LEU 7 Cb -0.21 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1xoa s LEU 7 CO -0.05 -0.76 -0.00 0.42 0.23 0.00 0.00 176.35 176.18 1xoa s THR 8 N -2.67 0.61 0.20 5.49 -4.23 -1.26 -4.32 115.64 109.47 1xoa s THR 8 Ca 0.49 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1xoa s THR 8 Cb -0.10 -2.05 0.13 0.00 1.34 0.00 0.00 72.50 71.82 1xoa s THR 8 CO 0.40 -0.53 1.75 -0.78 -0.54 0.00 0.00 174.62 174.92 1xoa h ASP 9 N 2.75 0.22 -0.57 3.99 3.58 -1.93 0.71 116.42 125.17 1xoa h ASP 9 Ca -0.36 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.18 1xoa h ASP 9 Cb 1.20 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1xoa h ASP 9 CO 0.63 0.14 0.36 0.44 -2.88 0.00 0.00 179.24 177.92 1xoa h ASP 10 N 0.40 0.60 0.81 2.28 5.19 -2.01 -2.98 116.42 120.71 1xoa h ASP 10 Ca 0.29 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.48 1xoa h ASP 10 Cb 0.33 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1xoa h ASP 10 CO -0.28 0.42 -1.00 0.77 -3.12 0.00 0.00 179.24 176.03 1xoa h SER 11 N 0.72 0.14 -0.63 6.45 4.64 -1.83 -3.38 113.55 119.66 1xoa h SER 11 Ca 0.22 -0.14 0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1xoa h SER 11 Cb -0.02 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 61.93 1xoa h SER 11 CO -0.08 1.05 -0.27 0.33 -0.87 0.00 0.00 176.83 176.99 1xoa n PHE 12 N -3.49 -0.03 0.21 4.77 -0.00 0.19 -0.70 117.46 118.42 1xoa n PHE 12 Ca -0.03 0.78 -0.14 0.00 -0.00 0.00 0.00 57.45 58.07 1xoa n PHE 12 Cb 0.91 -0.71 -0.07 0.00 -0.00 0.00 0.00 39.48 39.60 1xoa n PHE 12 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xoa h ASP 13 N 0.00 -1.06 -0.59 -2.13 3.58 -1.75 0.25 116.42 114.72 1xoa h ASP 13 Ca 0.20 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 1xoa h ASP 13 Cb 0.36 0.35 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 1xoa h ASP 13 CO -0.62 -0.50 0.22 0.74 -2.88 0.00 0.00 179.24 176.20 1xoa h THR 14 N -0.75 1.23 -0.14 2.25 2.02 -1.64 0.32 112.91 116.20 1xoa h THR 14 Ca -0.04 -0.75 -0.20 0.00 0.77 0.00 0.00 66.41 66.18 1xoa h THR 14 Cb 0.65 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1xoa h THR 14 CO -0.06 0.29 -0.73 0.44 0.37 0.00 0.00 175.52 175.83 1xoa h ASP 15 N 0.82 0.76 0.00 4.18 5.19 -0.86 -3.34 116.42 123.17 1xoa h ASP 15 Ca 0.19 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1xoa h ASP 15 Cb 0.23 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1xoa h ASP 15 CO -0.01 1.25 -0.30 0.52 -3.12 0.00 0.00 179.24 177.58 1xoa n VAL 16 N -3.91 0.67 -0.17 -1.35 0.31 0.87 -4.31 118.33 110.44 1xoa n VAL 16 Ca -0.06 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.61 1xoa n VAL 16 Cb 0.71 -1.67 0.35 0.00 -0.91 0.00 0.00 33.84 32.32 1xoa n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xoa h LEU 17 N -0.30 0.67 -1.66 7.52 3.38 -0.87 -0.82 115.31 123.23 1xoa h LEU 17 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xoa h LEU 17 Cb 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xoa h LEU 17 CO 0.00 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.26 1xoa n LYS 18 N -4.47 2.05 -1.83 1.13 5.02 -0.09 -4.10 118.16 115.86 1xoa n LYS 18 Ca 0.10 -1.63 -0.29 0.00 -2.02 0.00 0.00 58.31 54.47 1xoa n LYS 18 Cb 0.19 -1.38 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xoa s ALA 19 N -1.46 2.52 0.36 7.82 0.00 -0.31 -4.98 121.76 125.71 1xoa s ALA 19 Ca 0.32 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1xoa s ALA 19 Cb 0.17 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1xoa s ALA 19 CO 0.23 -1.73 -0.04 0.34 0.00 0.00 0.00 175.76 174.57 1xoa s ASP 20 N -4.46 3.88 0.25 0.00 2.15 -1.26 -3.67 116.67 113.57 1xoa s ASP 20 Ca 0.62 -1.20 0.00 0.00 0.43 0.00 0.00 52.55 52.40 1xoa s ASP 20 Cb -0.12 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.10 1xoa s ASP 20 CO 0.50 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1xoa n GLY 21 N -0.89 0.94 2.93 2.66 0.00 -1.26 -4.69 105.19 104.88 1xoa n GLY 21 Ca -0.05 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1xoa n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 22 N -2.00 1.19 -0.14 4.61 0.00 -1.26 -0.33 121.76 123.82 1xoa s ALA 22 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1xoa s ALA 22 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1xoa s ALA 22 CO 0.00 -0.23 -0.08 0.42 0.00 0.00 0.00 175.76 175.87 1xoa s ILE 23 N 1.35 3.51 -0.39 0.00 1.01 0.18 -0.45 121.20 126.40 1xoa s ILE 23 Ca -0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1xoa s ILE 23 Cb -0.14 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.92 1xoa s ILE 23 CO -0.04 0.51 0.19 -0.22 0.00 0.00 0.00 174.94 175.37 1xoa s LEU 24 N 0.36 5.03 -0.34 2.97 1.98 0.01 -0.02 118.68 128.68 1xoa s LEU 24 Ca -0.07 -1.81 -0.18 0.00 -2.89 0.00 0.00 54.13 49.17 1xoa s LEU 24 Cb -0.15 -1.84 -0.01 0.00 0.66 0.00 0.00 46.19 44.85 1xoa s LEU 24 CO 0.04 -0.50 0.54 -0.69 -1.89 0.00 0.00 176.35 173.85 1xoa s VAL 25 N 1.22 5.00 -0.42 1.68 1.01 0.28 -0.13 120.40 129.02 1xoa s VAL 25 Ca 0.05 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1xoa s VAL 25 Cb -0.22 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1xoa s VAL 25 CO -0.03 -0.19 0.57 -0.62 0.00 0.00 0.00 175.10 174.84 1xoa s ASP 26 N 1.73 6.29 -0.15 3.32 3.68 0.39 -0.75 116.67 131.18 1xoa s ASP 26 Ca 0.20 -0.41 -0.27 0.00 2.13 0.00 0.00 52.55 54.20 1xoa s ASP 26 Cb -0.15 -2.29 -0.01 0.00 -1.45 0.00 0.00 42.92 39.02 1xoa s ASP 26 CO 0.13 -0.69 0.93 -0.36 0.13 0.00 0.00 175.17 175.30 1xoa s PHE 27 N 2.57 3.45 0.27 -5.34 0.40 0.07 -1.18 117.98 118.23 1xoa s PHE 27 Ca 0.19 1.41 0.03 0.00 -0.60 0.00 0.00 56.93 57.96 1xoa s PHE 27 Cb -0.15 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1xoa s PHE 27 CO 0.17 -0.26 0.17 1.67 0.70 0.00 0.00 175.22 177.67 1xoa s TRP 28 N 2.22 1.49 0.01 0.36 1.48 -0.05 -3.14 118.94 121.32 1xoa s TRP 28 Ca 0.43 -1.43 -0.08 0.00 -1.06 0.00 0.00 56.10 53.96 1xoa s TRP 28 Cb -0.17 -0.73 0.00 0.00 -1.16 0.00 0.00 33.47 31.41 1xoa s TRP 28 CO 0.14 -0.63 0.14 0.00 -4.06 0.00 0.00 176.95 172.54 1xoa s ALA 29 N -3.76 -0.30 0.33 2.67 0.00 -1.26 -0.53 121.76 118.90 1xoa s ALA 29 Ca 0.38 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1xoa s ALA 29 Cb 0.05 0.16 0.71 0.00 0.00 0.00 0.00 23.12 24.04 1xoa s ALA 29 CO 0.18 -0.25 1.87 0.93 0.00 0.00 0.00 175.76 178.49 1xoa h GLU 30 N 4.05 0.80 -0.00 0.00 5.08 -1.99 0.63 114.58 123.14 1xoa h GLU 30 Ca -0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xoa h GLU 30 Cb 1.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xoa h GLU 30 CO 0.43 0.53 -0.00 -2.67 -1.00 0.00 0.00 179.01 176.30 1xoa n TRP 31 N -4.57 0.00 -2.55 4.33 4.27 -1.26 -4.66 117.44 113.00 1xoa n TRP 31 Ca 0.17 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.36 1xoa n TRP 31 Cb 0.39 -0.23 -0.01 0.00 -1.36 0.00 0.00 31.31 30.10 1xoa n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa h GLY 33 N 12.89 -0.64 0.39 0.00 0.00 -1.85 0.11 103.07 113.97 1xoa h GLY 33 Ca 0.39 0.65 0.21 0.00 0.00 0.00 0.00 47.33 48.58 1xoa h GLY 33 CO 1.44 -0.11 0.57 -2.55 0.00 0.00 0.00 176.54 175.89 1xoa h PRO 34 N -0.21 0.18 -0.71 4.80 0.11 -1.96 0.95 132.00 135.16 1xoa h PRO 34 Ca 0.16 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1xoa h PRO 34 Cb 0.55 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1xoa h PRO 34 CO -0.73 0.12 0.27 0.00 -0.21 0.00 0.00 178.00 177.45 1xoa h LYS 36 N 1.03 1.00 -0.49 0.00 1.79 -0.62 0.45 116.57 119.73 1xoa h LYS 36 Ca 0.24 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xoa h LYS 36 Cb 0.23 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1xoa h LYS 36 CO -0.02 0.85 0.31 0.52 -1.08 0.00 0.00 179.45 180.04 1xoa h MET 37 N 0.93 0.65 0.00 3.15 2.86 -0.61 -2.82 114.93 119.10 1xoa h MET 37 Ca 0.21 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1xoa h MET 37 Cb 0.25 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1xoa h MET 37 CO -0.01 0.45 -0.62 -0.84 1.06 0.00 0.00 176.91 176.95 1xoa h ILE 38 N 0.66 1.21 -0.85 -1.22 3.07 -0.85 -3.38 117.51 116.16 1xoa h ILE 38 Ca 0.18 -2.32 0.10 0.00 1.55 0.00 0.00 64.86 64.37 1xoa h ILE 38 Cb -0.05 2.34 -0.12 0.00 -0.27 0.00 0.00 36.82 38.72 1xoa h ILE 38 CO -0.04 0.61 -0.42 0.00 -1.05 0.00 0.00 178.15 177.25 1xoa n ALA 39 N -2.32 -0.35 -0.23 0.16 0.00 0.13 0.05 120.51 117.95 1xoa n ALA 39 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 53.44 54.25 1xoa n ALA 39 Cb 0.70 -0.23 0.28 0.00 0.00 0.00 0.00 19.45 20.20 1xoa n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xoa h PRO 40 N 0.00 0.90 -0.09 0.00 0.13 -1.74 0.60 132.00 131.81 1xoa h PRO 40 Ca 0.21 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xoa h PRO 40 Cb 0.42 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 1xoa h PRO 40 CO -0.82 0.60 0.05 0.82 -0.23 0.00 0.00 178.00 178.42 1xoa h ILE 41 N 0.93 1.10 -0.70 -3.56 2.04 -0.61 0.60 117.51 117.31 1xoa h ILE 41 Ca 0.33 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1xoa h ILE 41 Cb 0.12 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1xoa h ILE 41 CO -0.10 0.09 0.37 -0.07 0.00 0.00 0.00 178.15 178.43 1xoa h LEU 42 N 0.04 0.51 0.19 1.44 3.38 0.06 0.11 115.31 121.04 1xoa h LEU 42 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xoa h LEU 42 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xoa h LEU 42 CO -0.00 0.31 -0.09 0.44 0.09 0.00 0.00 178.44 179.19 1xoa h ASP 43 N 0.65 -0.22 -0.20 -0.43 3.32 -0.46 0.19 116.42 119.26 1xoa h ASP 43 Ca 0.33 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.41 1xoa h ASP 43 Cb 0.28 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1xoa h ASP 43 CO -0.23 -0.13 -0.11 -0.33 -1.72 0.00 0.00 179.24 176.72 1xoa h GLU 44 N -0.28 -0.09 -0.45 3.56 5.08 -0.39 -0.90 114.58 121.11 1xoa h GLU 44 Ca -0.03 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1xoa h GLU 44 Cb 0.22 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1xoa h GLU 44 CO 0.04 -0.06 0.16 0.82 -1.00 0.00 0.00 179.01 178.97 1xoa h ILE 45 N -0.10 0.86 -0.76 3.13 1.08 -0.64 0.99 117.51 122.07 1xoa h ILE 45 Ca 0.11 -0.11 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1xoa h ILE 45 Cb 0.27 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1xoa h ILE 45 CO -0.27 0.06 0.39 0.00 -0.69 0.00 0.00 178.15 177.65 1xoa h ALA 46 N 1.29 1.06 0.39 1.87 0.00 0.27 0.14 119.26 124.29 1xoa h ALA 46 Ca 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xoa h ALA 46 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xoa h ALA 46 CO -0.21 -0.02 -0.19 0.22 0.00 0.00 0.00 179.25 179.05 1xoa h ASP 47 N 0.65 -0.44 -0.68 0.00 3.58 -0.32 -2.01 116.42 117.18 1xoa h ASP 47 Ca 0.38 -0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.83 1xoa h ASP 47 Cb 0.40 0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.48 1xoa h ASP 47 CO -0.28 -0.07 0.22 -0.33 -2.88 0.00 0.00 179.24 175.91 1xoa h GLU 48 N -0.88 0.35 -0.71 0.28 5.08 -0.39 -1.23 114.58 117.08 1xoa h GLU 48 Ca -0.05 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1xoa h GLU 48 Cb 0.55 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1xoa h GLU 48 CO 0.09 0.23 0.14 0.66 -1.00 0.00 0.00 179.01 179.13 1xoa n TYR 49 N -5.06 2.12 -1.64 4.33 4.02 0.46 -5.00 117.16 116.39 1xoa n TYR 49 Ca 0.12 -0.92 -0.47 0.00 -0.01 0.00 0.00 57.90 56.62 1xoa n TYR 49 Cb 0.37 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 39.07 1xoa n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xoa n GLN 50 N 0.20 1.80 0.00 -0.72 10.64 -0.47 -0.53 117.38 128.29 1xoa n GLN 50 Ca 0.32 0.65 0.00 0.00 -1.83 0.00 0.00 57.00 56.14 1xoa n GLN 50 Cb 1.23 -2.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xoa n GLY 51 N 2.82 3.07 0.14 2.61 0.00 -1.26 -4.73 105.19 107.83 1xoa n GLY 51 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1xoa n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xoa n LYS 52 N -1.85 0.60 -4.34 1.61 5.02 0.30 -4.93 118.16 114.57 1xoa n LYS 52 Ca 0.00 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.24 1xoa n LYS 52 Cb 0.00 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 1xoa n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xoa s LEU 53 N -7.39 1.98 -0.58 -0.35 2.96 0.16 -4.08 118.68 111.38 1xoa s LEU 53 Ca -0.38 -0.57 -0.20 0.00 -0.22 0.00 0.00 54.13 52.76 1xoa s LEU 53 Cb 0.13 -1.36 0.08 0.00 0.50 0.00 0.00 46.19 45.55 1xoa s LEU 53 CO 0.52 0.02 0.75 -0.89 -1.32 0.00 0.00 176.35 175.43 1xoa s THR 54 N 1.12 4.70 0.24 3.68 2.01 0.40 -4.54 115.64 123.25 1xoa s THR 54 Ca -0.01 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1xoa s THR 54 Cb -0.14 -4.49 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 1xoa s THR 54 CO -0.07 -1.12 0.97 -0.69 -0.69 0.00 0.00 174.62 173.02 1xoa s VAL 55 N 3.03 3.99 0.04 3.82 1.01 -1.26 -0.81 120.40 130.23 1xoa s VAL 55 Ca 0.15 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 64.10 1xoa s VAL 55 Cb -0.21 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1xoa s VAL 55 CO 0.09 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 1xoa s ALA 56 N -1.08 0.43 0.04 5.51 0.00 0.81 -1.11 121.76 126.37 1xoa s ALA 56 Ca 0.42 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1xoa s ALA 56 Cb -0.27 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1xoa s ALA 56 CO 0.34 -0.33 -0.10 0.15 0.00 0.00 0.00 175.76 175.82 1xoa s LYS 57 N -3.41 0.66 -0.03 0.00 1.02 0.12 -0.46 119.74 117.63 1xoa s LYS 57 Ca 0.02 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1xoa s LYS 57 Cb 0.04 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.83 1xoa s LYS 57 CO -0.08 0.12 0.03 -1.17 -0.92 0.00 0.00 175.35 173.33 1xoa s LEU 58 N -1.33 0.73 -0.47 3.17 0.20 -0.32 -0.75 118.68 119.91 1xoa s LEU 58 Ca -0.04 0.03 -0.24 0.00 0.69 0.00 0.00 54.13 54.57 1xoa s LEU 58 Cb -0.09 -0.16 0.03 0.00 -0.43 0.00 0.00 46.19 45.55 1xoa s LEU 58 CO 0.01 -0.17 0.85 0.21 -0.29 0.00 0.00 176.35 176.95 1xoa s ASN 59 N 1.52 6.41 0.47 3.68 3.84 -1.26 -0.87 114.94 128.74 1xoa s ASN 59 Ca -0.03 -0.13 0.24 0.00 0.21 0.00 0.00 52.86 53.16 1xoa s ASN 59 Cb -0.13 -2.41 1.14 0.00 -0.55 0.00 0.00 41.25 39.30 1xoa s ASN 59 CO -0.03 -1.01 1.93 0.16 -2.79 0.00 0.00 177.10 175.36 1xoa h ILE 60 N 6.01 0.63 0.01 -5.21 -0.00 -1.03 -1.11 117.51 116.81 1xoa h ILE 60 Ca -0.25 -0.90 0.00 0.00 -0.00 0.00 0.00 64.86 63.72 1xoa h ILE 60 Cb 1.08 1.58 -0.00 0.00 -0.00 0.00 0.00 36.82 39.48 1xoa h ILE 60 CO 1.00 0.20 -0.01 0.44 -0.00 0.00 0.00 178.15 179.77 1xoa h ASP 61 N 0.00 -0.04 1.03 2.16 3.32 -1.92 -0.71 116.42 120.27 1xoa h ASP 61 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1xoa h ASP 61 Cb 0.56 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1xoa h ASP 61 CO 0.03 -0.02 -0.52 1.56 -1.72 0.00 0.00 179.24 178.56 1xoa h GLN 62 N -0.03 0.00 -2.12 3.56 1.08 -1.93 -3.38 115.11 112.30 1xoa h GLN 62 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1xoa h GLN 62 Cb 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.05 1xoa h GLN 62 CO -0.01 0.52 -0.79 0.09 -0.95 0.00 0.00 178.83 177.69 1xoa n ASN 63 N -3.44 2.48 0.31 1.46 3.02 -0.43 -4.98 115.26 113.67 1xoa n ASN 63 Ca 0.00 -3.18 -0.18 0.00 -0.03 0.00 0.00 54.58 51.19 1xoa n ASN 63 Cb 0.64 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 1xoa n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xoa h PRO 64 N 4.03 -0.98 -1.00 3.52 0.11 -1.33 -3.19 132.00 133.17 1xoa h PRO 64 Ca 0.15 0.07 0.38 0.00 0.11 0.00 0.00 66.00 66.71 1xoa h PRO 64 Cb 0.74 0.22 -0.17 0.00 0.11 0.00 0.00 31.00 31.90 1xoa h PRO 64 CO 0.70 -0.65 0.47 0.78 -0.21 0.00 0.00 178.00 179.08 1xoa h GLY 65 N -1.02 2.08 1.99 -0.55 0.00 -1.94 0.48 103.07 104.12 1xoa h GLY 65 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xoa h GLY 65 CO -0.04 -0.71 0.00 -0.84 0.00 0.00 0.00 176.54 174.96 1xoa h THR 66 N 0.06 0.69 0.22 4.70 2.02 -1.94 -1.60 112.91 117.06 1xoa h THR 66 Ca 0.79 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.96 1xoa h THR 66 Cb 1.99 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1xoa h THR 66 CO -0.76 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.02 1xoa h ALA 67 N 2.00 -0.52 -1.03 6.16 0.00 -1.06 -3.29 119.26 121.52 1xoa h ALA 67 Ca 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.12 1xoa h ALA 67 Cb 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 1xoa h ALA 67 CO -0.00 -0.49 0.62 -1.35 0.00 0.00 0.00 179.25 178.02 1xoa h PRO 68 N -0.59 0.45 -1.09 0.00 0.11 -1.67 -0.02 132.00 129.19 1xoa h PRO 68 Ca -0.03 -0.03 0.30 0.00 0.11 0.00 0.00 66.00 66.35 1xoa h PRO 68 Cb 0.23 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.14 1xoa h PRO 68 CO 0.05 0.30 0.70 0.87 -0.21 0.00 0.00 178.00 179.71 1xoa h LYS 69 N 0.46 0.32 -0.12 1.05 1.57 -1.35 0.89 116.57 119.38 1xoa h LYS 69 Ca 0.66 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.37 1xoa h LYS 69 Cb 1.45 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1xoa h LYS 69 CO -0.47 0.21 -0.30 0.66 -0.57 0.00 0.00 179.45 178.98 1xoa n TYR 70 N -4.63 0.38 -3.27 -1.35 4.01 -0.20 -4.98 117.16 107.13 1xoa n TYR 70 Ca 0.27 -1.47 -0.23 0.00 -0.16 0.00 0.00 57.90 56.32 1xoa n TYR 70 Cb 0.98 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.70 1xoa n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xoa n GLY 71 N -1.13 -0.50 3.58 2.72 0.00 0.30 -4.87 105.19 105.29 1xoa n GLY 71 Ca 0.23 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1xoa n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xoa s ILE 72 N -3.00 4.04 -1.44 -0.61 1.01 -0.20 -4.75 121.20 116.25 1xoa s ILE 72 Ca 0.38 -1.60 0.30 0.00 0.00 0.00 0.00 60.65 59.72 1xoa s ILE 72 Cb -0.19 -5.13 0.52 0.00 0.01 0.00 0.00 42.46 37.67 1xoa s ILE 72 CO 0.46 -1.96 2.03 0.54 0.00 0.00 0.00 174.94 176.01 1xoa n ARG 73 N 8.52 0.43 -3.86 2.79 1.74 -1.26 -4.51 116.66 120.51 1xoa n ARG 73 Ca 0.45 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.44 1xoa n ARG 73 Cb 0.47 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 1xoa n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xoa s GLY 74 N -2.56 0.20 0.05 -0.13 0.00 -1.26 -5.18 107.32 98.44 1xoa s GLY 74 Ca 0.28 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 1xoa s GLY 74 CO 0.45 -0.48 0.13 -0.26 0.00 0.00 0.00 173.10 172.94 1xoa s ILE 75 N -3.93 0.14 0.45 0.90 -4.36 -1.26 -4.46 121.20 108.67 1xoa s ILE 75 Ca 0.14 -1.14 -0.24 0.00 -0.26 0.00 0.00 60.65 59.15 1xoa s ILE 75 Cb -0.00 -1.07 -0.08 0.00 1.25 0.00 0.00 42.46 42.56 1xoa s ILE 75 CO 0.01 -0.63 1.21 -2.16 0.24 0.00 0.00 174.94 173.62 1xoa s PRO 76 N -3.04 3.79 -0.03 0.37 0.04 -1.26 -4.82 135.00 130.05 1xoa s PRO 76 Ca -0.01 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xoa s PRO 76 Cb 0.01 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1xoa s PRO 76 CO -0.07 -0.57 0.04 0.99 0.04 0.00 0.00 177.00 177.44 1xoa s THR 77 N -1.44 -0.07 -0.35 1.26 2.01 -1.19 -0.12 115.64 115.75 1xoa s THR 77 Ca 0.62 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 1xoa s THR 77 Cb -0.32 -0.10 0.05 0.00 0.01 0.00 0.00 72.50 72.14 1xoa s THR 77 CO 0.40 0.11 0.12 -0.76 -0.69 0.00 0.00 174.62 173.80 1xoa s LEU 78 N 1.34 4.47 -0.30 4.42 1.43 0.34 -0.75 118.68 129.63 1xoa s LEU 78 Ca -0.06 -1.31 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1xoa s LEU 78 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1xoa s LEU 78 CO -0.03 -0.37 0.36 -0.76 0.23 0.00 0.00 176.35 175.78 1xoa s LEU 79 N 1.35 4.18 -0.58 1.79 1.02 0.07 -0.67 118.68 125.84 1xoa s LEU 79 Ca -0.01 0.07 -0.18 0.00 0.02 0.00 0.00 54.13 54.04 1xoa s LEU 79 Cb -0.20 -2.38 0.12 0.00 0.02 0.00 0.00 46.19 43.75 1xoa s LEU 79 CO 0.01 -0.24 0.63 -0.22 0.02 0.00 0.00 176.35 176.55 1xoa s LEU 80 N 2.05 5.76 -0.53 1.79 2.96 -0.02 -0.56 118.68 130.13 1xoa s LEU 80 Ca 0.13 -1.63 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 1xoa s LEU 80 Cb -0.16 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.32 1xoa s LEU 80 CO 0.11 -0.99 0.75 -0.36 -1.32 0.00 0.00 176.35 174.54 1xoa s PHE 81 N 2.15 2.95 -0.37 5.38 0.40 0.97 -0.23 117.98 129.23 1xoa s PHE 81 Ca 0.08 -0.36 -0.21 0.00 -0.60 0.00 0.00 56.93 55.84 1xoa s PHE 81 Cb -0.26 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.52 1xoa s PHE 81 CO 0.04 -1.17 0.69 0.15 0.70 0.00 0.00 175.22 175.63 1xoa s LYS 82 N 3.14 3.64 -1.39 0.44 1.02 0.65 -0.65 119.74 126.60 1xoa s LYS 82 Ca 0.21 0.08 -0.08 0.00 0.02 0.00 0.00 55.97 56.20 1xoa s LYS 82 Cb -0.17 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 1xoa s LYS 82 CO 0.14 -0.82 0.38 -1.71 -0.92 0.00 0.00 175.35 172.42 1xoa n ASN 83 N 6.23 -1.10 0.00 2.83 4.05 0.55 -0.51 115.26 127.30 1xoa n ASN 83 Ca 0.00 -1.13 0.00 0.00 0.45 0.00 0.00 54.58 53.90 1xoa n ASN 83 Cb 0.48 -2.46 0.00 0.00 1.23 0.00 0.00 39.78 39.04 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xoa n GLY 84 N -2.15 2.60 3.63 8.20 0.00 -1.24 -4.88 105.19 111.34 1xoa n GLY 84 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1xoa n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xoa s GLU 85 N 0.00 4.08 -0.36 1.61 2.02 0.33 -4.76 118.70 121.62 1xoa s GLU 85 Ca 0.00 0.14 -0.27 0.00 0.02 0.00 0.00 54.97 54.85 1xoa s GLU 85 Cb 0.00 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1xoa s GLU 85 CO 0.00 -0.21 2.13 0.08 0.02 0.00 0.00 175.26 177.28 1xoa s VAL 86 N 1.86 3.16 -0.03 2.63 1.01 -1.26 -0.25 120.40 127.52 1xoa s VAL 86 Ca 0.17 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1xoa s VAL 86 Cb -0.15 -3.27 -0.31 0.00 0.00 0.00 0.00 36.38 32.64 1xoa s VAL 86 CO 0.09 -0.21 0.94 0.00 0.00 0.00 0.00 175.10 175.92 1xoa h ALA 87 N 15.73 -0.09 -2.80 5.51 0.00 -0.94 -3.48 119.26 133.19 1xoa h ALA 87 Ca -0.33 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 53.83 1xoa h ALA 87 Cb 1.22 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1xoa h ALA 87 CO 1.06 0.44 0.11 0.00 0.00 0.00 0.00 179.25 180.85 1xoa s ALA 88 N -2.54 -1.40 -0.18 0.00 0.00 -1.22 -5.04 121.76 111.39 1xoa s ALA 88 Ca -0.13 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1xoa s ALA 88 Cb 0.02 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.89 1xoa s ALA 88 CO 0.85 -0.67 -0.00 0.95 0.00 0.00 0.00 175.76 176.89 1xoa s THR 89 N -3.39 0.81 -0.39 0.00 -4.23 -1.26 -0.84 115.64 106.33 1xoa s THR 89 Ca -0.00 -0.62 -0.15 0.00 -1.18 0.00 0.00 61.69 59.74 1xoa s THR 89 Cb -0.00 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.68 1xoa s THR 89 CO -0.09 -0.07 0.33 -0.75 -0.54 0.00 0.00 174.62 173.50 1xoa s LYS 90 N 1.74 3.16 -0.10 3.99 2.36 0.15 -4.93 119.74 126.12 1xoa s LYS 90 Ca -0.01 -0.82 -0.19 0.00 -2.55 0.00 0.00 55.97 52.41 1xoa s LYS 90 Cb -0.16 -3.93 -0.04 0.00 -1.05 0.00 0.00 37.83 32.65 1xoa s LYS 90 CO -0.07 -0.70 0.51 0.08 1.55 0.00 0.00 175.35 176.72 1xoa s VAL 91 N 1.85 5.15 0.00 4.02 1.01 -1.26 -0.51 120.40 130.66 1xoa s VAL 91 Ca 0.08 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1xoa s VAL 91 Cb -0.18 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1xoa s VAL 91 CO 0.11 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1xoa n GLY 92 N 3.17 0.88 3.79 4.51 0.00 0.83 -5.00 105.19 113.37 1xoa n GLY 92 Ca -0.06 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1xoa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoa s ALA 93 N -2.62 1.97 0.22 4.61 0.00 -1.26 -4.74 121.76 119.94 1xoa s ALA 93 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 1xoa s ALA 93 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1xoa s ALA 93 CO 0.00 -2.03 0.72 -0.48 0.00 0.00 0.00 175.76 173.97 1xoa s LEU 94 N -5.93 -0.34 0.59 0.00 2.34 -1.26 -5.13 118.68 108.96 1xoa s LEU 94 Ca 0.62 -0.39 -0.08 0.00 0.06 0.00 0.00 54.13 54.33 1xoa s LEU 94 Cb -0.15 2.60 -0.02 0.00 -0.56 0.00 0.00 46.19 48.06 1xoa s LEU 94 CO 0.54 -1.16 0.95 -0.94 -1.06 0.00 0.00 176.35 174.68 1xoa s SER 95 N -2.86 5.98 0.25 1.48 1.04 -1.26 -4.87 113.70 113.47 1xoa s SER 95 Ca 0.08 1.10 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 1xoa s SER 95 Cb -0.04 -2.17 0.48 0.00 0.10 0.00 0.00 66.02 64.39 1xoa s SER 95 CO 0.00 -0.91 1.77 0.50 0.98 0.00 0.00 173.24 175.58 1xoa h LYS 96 N -0.20 0.62 0.43 4.02 3.64 -1.98 0.53 116.57 123.63 1xoa h LYS 96 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1xoa h LYS 96 Cb 1.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1xoa h LYS 96 CO 0.62 0.41 -0.22 0.78 -2.27 0.00 0.00 179.45 178.77 1xoa h GLY 97 N 0.64 -0.62 0.54 5.01 0.00 -1.99 0.11 103.07 106.76 1xoa h GLY 97 Ca 0.43 0.24 0.07 0.00 0.00 0.00 0.00 47.33 48.07 1xoa h GLY 97 CO -0.33 -0.23 0.22 1.46 0.00 0.00 0.00 176.54 177.66 1xoa h GLN 98 N -0.60 0.40 -0.02 4.80 4.20 -1.77 -0.31 115.11 121.82 1xoa h GLN 98 Ca -0.06 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1xoa h GLN 98 Cb 0.46 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1xoa h GLN 98 CO 0.09 0.27 -0.06 1.25 -0.67 0.00 0.00 178.83 179.71 1xoa h LEU 99 N 0.42 -0.17 -0.33 1.46 5.85 -0.70 0.43 115.31 122.27 1xoa h LEU 99 Ca 0.26 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1xoa h LEU 99 Cb 0.26 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1xoa h LEU 99 CO -0.24 -0.08 -0.07 0.11 -0.34 0.00 0.00 178.44 177.82 1xoa h LYS 100 N -0.09 0.01 -0.02 1.25 1.57 -0.10 0.97 116.57 120.15 1xoa h LYS 100 Ca 0.03 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xoa h LYS 100 Cb 0.13 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1xoa h LYS 100 CO -0.07 0.01 -0.07 0.93 -0.57 0.00 0.00 179.45 179.67 1xoa h GLU 101 N 0.01 -0.11 -0.12 3.15 4.39 -0.74 0.98 114.58 122.15 1xoa h GLU 101 Ca 0.16 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.91 1xoa h GLU 101 Cb 0.24 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1xoa h GLU 101 CO -0.33 -0.08 -0.19 0.35 -1.16 0.00 0.00 179.01 177.61 1xoa h PHE 102 N -0.12 -0.50 0.08 4.33 3.57 -0.42 0.75 116.94 124.64 1xoa h PHE 102 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1xoa h PHE 102 Cb 0.17 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1xoa h PHE 102 CO -0.15 -0.27 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.46 1xoa h LEU 103 N -0.25 -0.35 -0.10 0.59 3.38 -0.59 -0.44 115.31 117.55 1xoa h LEU 103 Ca 0.09 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xoa h LEU 103 Cb 0.39 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1xoa h LEU 103 CO -0.26 -0.19 -0.19 -0.78 0.09 0.00 0.00 178.44 177.10 1xoa h ASP 104 N -0.26 -0.59 -0.98 -0.43 3.58 -0.50 0.17 116.42 117.41 1xoa h ASP 104 Ca 0.02 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.67 1xoa h ASP 104 Cb 0.27 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1xoa h ASP 104 CO -0.07 -0.25 0.63 0.00 -2.88 0.00 0.00 179.24 176.66 1xoa h ALA 105 N 0.72 1.52 0.04 -0.78 0.00 -0.60 0.85 119.26 121.01 1xoa h ALA 105 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xoa h ALA 105 Cb 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xoa h ALA 105 CO -0.25 0.28 -0.37 -0.91 0.00 0.00 0.00 179.25 178.00 1xoa h ASN 106 N 1.02 0.26 -0.32 0.00 2.35 -0.42 -3.30 115.58 115.17 1xoa h ASN 106 Ca 0.46 -0.87 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 1xoa h ASN 106 Cb 0.38 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1xoa h ASN 106 CO -0.22 1.11 0.14 -0.07 -1.65 0.00 0.00 177.43 176.74 1xoa h LEU 107 N -0.55 0.19 0.00 1.61 3.38 -0.50 -3.51 115.31 115.92 1xoa h LEU 107 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xoa h LEU 107 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xoa h LEU 107 CO 0.07 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.75