#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 2.56 -2.86 6.43 2.03 -1.26 -4.54 116.55 118.91 1xoa n ASP 2 Ca 0.00 -2.67 -0.38 0.00 0.52 0.00 0.00 54.79 52.26 1xoa n ASP 2 Cb 0.00 -1.23 0.03 0.00 -0.72 0.00 0.00 41.12 39.21 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 7.35 2.93 -4.58 -0.67 5.02 -1.26 -4.97 118.16 121.98 1xoa n LYS 3 Ca 0.48 -3.72 -0.32 0.00 -2.02 0.00 0.00 58.31 52.73 1xoa n LYS 3 Cb 0.42 -2.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.05 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 -5.14 3.41 -0.43 -0.18 1.01 -1.26 -4.60 121.20 114.01 1xoa s ILE 4 Ca 0.51 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 1xoa s ILE 4 Cb 0.43 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xoa s ILE 4 CO -0.37 0.44 0.70 -0.63 0.00 0.00 0.00 174.94 175.07 1xoa s ILE 5 N -0.92 4.76 -0.79 2.92 -1.09 -0.04 -4.88 121.20 121.16 1xoa s ILE 5 Ca 0.15 0.33 -0.25 0.00 -2.23 0.00 0.00 60.65 58.66 1xoa s ILE 5 Cb -0.11 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1xoa s ILE 5 CO 0.05 -0.60 1.24 -1.00 -1.23 0.00 0.00 174.94 173.41 1xoa s HIS 6 N 2.99 2.46 0.79 3.97 3.76 -1.26 -0.38 115.29 127.63 1xoa s HIS 6 Ca 0.26 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 1xoa s HIS 6 Cb -0.13 -4.56 0.08 0.00 1.11 0.00 0.00 32.58 29.08 1xoa s HIS 6 CO 0.20 -1.93 1.16 -0.51 -0.85 0.00 0.00 174.74 172.80 1xoa s LEU 7 N 5.06 2.55 0.10 0.89 1.43 0.06 -4.98 118.68 123.79 1xoa s LEU 7 Ca 0.35 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1xoa s LEU 7 Cb -0.08 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1xoa s LEU 7 CO 0.07 -1.86 -0.03 0.42 0.23 0.00 0.00 176.35 175.19 1xoa s THR 8 N -3.53 0.45 0.24 5.49 -4.23 -1.26 -4.59 115.64 108.22 1xoa s THR 8 Ca 0.62 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1xoa s THR 8 Cb -0.11 -1.76 0.21 0.00 1.34 0.00 0.00 72.50 72.18 1xoa s THR 8 CO 0.48 -0.79 1.77 0.44 -0.54 0.00 0.00 174.62 175.99 1xoa h ASP 9 N 2.97 0.49 -0.31 3.99 3.32 -1.89 0.79 116.42 125.78 1xoa h ASP 9 Ca -0.35 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1xoa h ASP 9 Cb 1.17 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1xoa h ASP 9 CO 0.64 0.25 0.17 0.44 -1.72 0.00 0.00 179.24 179.02 1xoa h ASP 10 N 0.62 0.39 1.14 6.45 5.19 -2.00 -3.12 116.42 125.09 1xoa h ASP 10 Ca 0.40 -0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.59 1xoa h ASP 10 Cb 0.50 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1xoa h ASP 10 CO -0.32 0.36 -0.68 0.77 -3.12 0.00 0.00 179.24 176.25 1xoa h SER 11 N 0.38 0.00 -0.84 6.45 4.64 -1.77 -3.37 113.55 119.05 1xoa h SER 11 Ca 0.11 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.55 1xoa h SER 11 Cb 0.05 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.01 1xoa h SER 11 CO -0.02 0.68 -0.34 0.33 -0.87 0.00 0.00 176.83 176.61 1xoa n PHE 12 N -3.36 -0.02 0.19 4.77 7.35 0.21 -0.62 117.46 125.97 1xoa n PHE 12 Ca 0.01 1.03 -0.12 0.00 -0.76 0.00 0.00 57.45 57.61 1xoa n PHE 12 Cb 0.77 -0.79 -0.06 0.00 0.35 0.00 0.00 39.48 39.75 1xoa n PHE 12 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1xoa h ASP 13 N 0.00 -0.91 -0.89 -2.13 3.58 -1.74 0.34 116.42 114.67 1xoa h ASP 13 Ca 0.27 0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.90 1xoa h ASP 13 Cb 0.48 0.30 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 1xoa h ASP 13 CO -0.82 -0.43 0.57 0.71 -2.88 0.00 0.00 179.24 176.38 1xoa h THR 14 N -0.65 0.96 0.00 2.25 1.35 -1.59 -1.12 112.91 114.10 1xoa h THR 14 Ca -0.04 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xoa h THR 14 Cb 0.57 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1xoa h THR 14 CO -0.05 0.16 -0.24 0.44 -0.25 0.00 0.00 175.52 175.58 1xoa h ASP 15 N 0.86 0.00 0.01 5.36 5.19 -0.72 -3.36 116.42 123.77 1xoa h ASP 15 Ca 0.41 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1xoa h ASP 15 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1xoa h ASP 15 CO -0.18 0.56 -0.09 0.58 -3.12 0.00 0.00 179.24 177.00 1xoa h VAL 16 N -0.88 1.76 0.00 -1.35 2.07 -0.40 -2.89 116.25 114.56 1xoa h VAL 16 Ca 0.00 -2.34 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 1xoa h VAL 16 Cb 0.24 3.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1xoa h VAL 16 CO 0.00 0.61 -0.26 -0.07 0.02 0.00 0.00 177.57 177.88 1xoa h LEU 17 N -0.92 0.00 -3.99 2.57 3.38 -0.93 -0.82 115.31 114.60 1xoa h LEU 17 Ca -0.01 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.35 1xoa h LEU 17 Cb 1.05 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.50 1xoa h LEU 17 CO 0.02 0.26 0.76 0.29 0.09 0.00 0.00 178.44 179.86 1xoa n LYS 18 N -4.22 2.48 -1.22 1.13 4.76 -1.03 -2.24 118.16 117.83 1xoa n LYS 18 Ca -0.02 -3.16 -0.37 0.00 -2.87 0.00 0.00 58.31 51.89 1xoa n LYS 18 Cb 0.31 -2.24 -0.08 0.00 -1.84 0.00 0.00 35.03 31.18 1xoa n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xoa n ALA 19 N -1.03 1.90 -1.36 7.82 0.00 -0.32 -4.83 120.51 122.69 1xoa n ALA 19 Ca 0.61 -2.94 -0.40 0.00 0.00 0.00 0.00 53.44 50.71 1xoa n ALA 19 Cb 1.14 -3.60 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 1xoa n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xoa n ASP 20 N 11.01 2.64 0.00 0.00 2.03 -1.26 -0.13 116.55 130.83 1xoa n ASP 20 Ca 0.47 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1xoa n ASP 20 Cb 0.43 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xoa n GLY 21 N 4.83 -0.44 3.12 0.27 0.00 -1.26 -5.01 105.19 106.69 1xoa n GLY 21 Ca 0.49 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.00 -0.92 -0.17 4.61 0.00 -1.26 -4.25 121.76 118.77 1xoa s ALA 22 Ca 0.00 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1xoa s ALA 22 Cb 0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1xoa s ALA 22 CO 0.00 -0.79 -0.13 0.42 0.00 0.00 0.00 175.76 175.26 1xoa s ILE 23 N 2.53 2.87 -0.46 0.00 1.01 0.21 -0.52 121.20 126.85 1xoa s ILE 23 Ca 0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1xoa s ILE 23 Cb -0.13 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.19 1xoa s ILE 23 CO -0.12 0.50 0.35 -0.22 0.00 0.00 0.00 174.94 175.45 1xoa s LEU 24 N 0.92 5.51 -0.38 2.97 1.98 -0.00 -0.44 118.68 129.24 1xoa s LEU 24 Ca -0.03 -1.47 -0.21 0.00 -2.89 0.00 0.00 54.13 49.54 1xoa s LEU 24 Cb -0.15 -2.11 0.01 0.00 0.66 0.00 0.00 46.19 44.60 1xoa s LEU 24 CO -0.01 -0.63 0.67 -0.69 -1.89 0.00 0.00 176.35 173.80 1xoa s VAL 25 N 1.54 4.84 -0.46 1.68 1.01 0.38 -0.17 120.40 129.22 1xoa s VAL 25 Ca 0.04 0.54 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1xoa s VAL 25 Cb -0.24 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1xoa s VAL 25 CO 0.04 -0.41 0.57 -0.62 0.00 0.00 0.00 175.10 174.68 1xoa s ASP 26 N 1.86 6.24 -0.13 3.32 3.68 0.45 -0.89 116.67 131.20 1xoa s ASP 26 Ca 0.25 -0.72 -0.29 0.00 2.13 0.00 0.00 52.55 53.92 1xoa s ASP 26 Cb -0.14 -2.27 -0.01 0.00 -1.45 0.00 0.00 42.92 39.05 1xoa s ASP 26 CO 0.16 -0.77 1.01 -0.36 0.13 0.00 0.00 175.17 175.35 1xoa s PHE 27 N 2.50 3.48 0.34 -5.34 0.40 0.29 -1.01 117.98 118.64 1xoa s PHE 27 Ca 0.16 1.57 0.04 0.00 -0.60 0.00 0.00 56.93 58.10 1xoa s PHE 27 Cb -0.18 -3.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 1xoa s PHE 27 CO 0.14 -0.28 0.36 -2.67 0.70 0.00 0.00 175.22 173.47 1xoa n TRP 28 N 5.23 -1.04 -3.77 0.36 4.27 0.07 -2.79 117.44 119.78 1xoa n TRP 28 Ca 0.09 -2.65 -0.13 0.00 -3.89 0.00 0.00 57.50 50.93 1xoa n TRP 28 Cb 0.48 0.39 -0.09 0.00 -1.36 0.00 0.00 31.31 30.74 1xoa n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xoa s ALA 29 N -3.15 -0.73 0.25 -1.67 0.00 -1.26 -0.41 121.76 114.80 1xoa s ALA 29 Ca 0.36 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1xoa s ALA 29 Cb 0.01 0.12 0.49 0.00 0.00 0.00 0.00 23.12 23.73 1xoa s ALA 29 CO 0.26 -0.28 1.77 0.93 0.00 0.00 0.00 175.76 178.43 1xoa h GLU 30 N 3.79 0.61 0.00 0.00 3.07 -1.99 0.30 114.58 120.36 1xoa h GLU 30 Ca -0.30 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1xoa h GLU 30 Cb 1.18 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1xoa h GLU 30 CO 0.41 0.40 0.00 -2.67 -1.40 0.00 0.00 179.01 175.75 1xoa n TRP 31 N -4.86 0.00 -2.56 4.33 4.27 -1.26 -4.63 117.44 112.72 1xoa n TRP 31 Ca 0.16 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.34 1xoa n TRP 31 Cb 0.39 -0.33 -0.00 0.00 -1.36 0.00 0.00 31.31 30.01 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 12.73 -0.80 0.11 0.00 0.00 -1.84 0.97 103.07 114.24 1xoa h GLY 33 Ca 0.42 0.71 0.25 0.00 0.00 0.00 0.00 47.33 48.71 1xoa h GLY 33 CO 1.45 -0.07 0.65 -2.55 0.00 0.00 0.00 176.54 176.02 1xoa h PRO 34 N -0.21 0.23 0.04 4.80 0.11 -1.95 0.11 132.00 135.14 1xoa h PRO 34 Ca 0.14 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1xoa h PRO 34 Cb 0.53 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1xoa h PRO 34 CO -0.75 0.16 -0.02 0.00 -0.21 0.00 0.00 178.00 177.17 1xoa h LYS 36 N -0.55 0.61 -0.56 0.00 1.57 -0.04 -0.26 116.57 117.34 1xoa h LYS 36 Ca -0.01 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.89 1xoa h LYS 36 Cb 0.50 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xoa h LYS 36 CO 0.01 0.41 0.40 0.52 -0.57 0.00 0.00 179.45 180.21 1xoa h MET 37 N 0.63 0.08 -0.01 3.15 2.86 -0.78 0.66 114.93 121.52 1xoa h MET 37 Ca 0.33 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1xoa h MET 37 Cb 0.31 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1xoa h MET 37 CO -0.24 0.06 -0.20 0.44 1.06 0.00 0.00 176.91 178.03 1xoa n ILE 38 N -4.40 0.00 -0.06 -1.22 -5.35 -0.16 -4.36 119.36 103.80 1xoa n ILE 38 Ca 0.10 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 1xoa n ILE 38 Cb 0.58 0.70 -0.02 0.00 -1.74 0.00 0.00 39.64 39.16 1xoa n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xoa h ALA 39 N 4.02 0.17 -0.52 -1.28 0.00 -0.27 0.64 119.26 122.02 1xoa h ALA 39 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1xoa h ALA 39 Cb 0.60 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1xoa h ALA 39 CO 0.00 -0.47 0.10 -1.35 0.00 0.00 0.00 179.25 177.53 1xoa h PRO 40 N 0.00 0.23 -0.02 0.00 0.11 -1.76 0.17 132.00 130.73 1xoa h PRO 40 Ca 0.12 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1xoa h PRO 40 Cb 0.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1xoa h PRO 40 CO -0.27 0.15 -0.19 0.82 -0.21 0.00 0.00 178.00 178.30 1xoa h ILE 41 N 0.24 0.54 -0.93 4.15 2.04 -1.61 0.97 117.51 122.91 1xoa h ILE 41 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.17 1xoa h ILE 41 Cb 0.37 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1xoa h ILE 41 CO -0.35 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.33 1xoa h LEU 42 N -0.30 1.00 0.03 1.44 3.38 -0.18 0.09 115.31 120.78 1xoa h LEU 42 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xoa h LEU 42 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xoa h LEU 42 CO -0.19 0.68 -0.01 0.44 0.09 0.00 0.00 178.44 179.44 1xoa h ASP 43 N 1.16 -0.04 -0.14 -0.43 3.32 0.06 0.16 116.42 120.51 1xoa h ASP 43 Ca 0.38 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.43 1xoa h ASP 43 Cb 0.02 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1xoa h ASP 43 CO -0.13 0.00 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.01 1xoa h GLU 44 N -0.07 -0.04 -0.35 3.56 5.08 -0.40 -0.34 114.58 122.03 1xoa h GLU 44 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xoa h GLU 44 Cb 0.06 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1xoa h GLU 44 CO 0.01 -0.02 0.04 0.82 -1.00 0.00 0.00 179.01 178.85 1xoa h ILE 45 N -0.04 0.79 -0.51 3.13 1.08 -0.76 0.42 117.51 121.62 1xoa h ILE 45 Ca 0.08 -0.05 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1xoa h ILE 45 Cb 0.15 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.46 1xoa h ILE 45 CO -0.17 0.03 0.12 0.00 -0.69 0.00 0.00 178.15 177.44 1xoa h ALA 46 N 1.28 0.58 -0.07 1.87 0.00 0.03 0.13 119.26 123.08 1xoa h ALA 46 Ca 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xoa h ALA 46 Cb 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xoa h ALA 46 CO -0.25 -0.29 0.03 0.22 0.00 0.00 0.00 179.25 178.96 1xoa h ASP 47 N 0.26 0.10 -0.07 0.00 3.58 -0.45 -3.08 116.42 116.76 1xoa h ASP 47 Ca 0.26 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1xoa h ASP 47 Cb 0.34 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 1xoa h ASP 47 CO -0.32 0.23 0.03 -0.33 -2.88 0.00 0.00 179.24 175.97 1xoa h GLU 48 N -0.04 0.10 -0.94 0.28 5.08 -0.39 -3.22 114.58 115.45 1xoa h GLU 48 Ca 0.02 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1xoa h GLU 48 Cb 0.17 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.27 1xoa h GLU 48 CO -0.00 0.20 0.28 0.66 -1.00 0.00 0.00 179.01 179.15 1xoa n TYR 49 N -4.97 1.61 -1.66 4.33 4.02 0.39 -4.97 117.16 115.92 1xoa n TYR 49 Ca -0.06 -1.05 -0.48 0.00 -0.01 0.00 0.00 57.90 56.30 1xoa n TYR 49 Cb 0.10 -0.57 -0.05 0.00 -0.02 0.00 0.00 39.34 38.80 1xoa n TYR 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xoa n GLN 50 N -0.24 1.95 0.00 -0.72 1.13 -1.16 -0.50 117.38 117.85 1xoa n GLN 50 Ca 0.30 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 1xoa n GLN 50 Cb 1.08 -2.46 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xoa n GLY 51 N 3.42 2.97 0.13 1.08 0.00 -1.26 -4.74 105.19 106.78 1xoa n GLY 51 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 0.64 -3.80 1.61 5.02 0.35 -4.98 118.16 115.00 1xoa n LYS 52 Ca 0.00 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1xoa n LYS 52 Cb 0.00 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 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 -6.72 1.36 -0.44 -0.35 2.96 0.21 -4.51 118.68 111.19 1xoa s LEU 53 Ca -0.35 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 1xoa s LEU 53 Cb 0.10 -0.04 0.04 0.00 0.50 0.00 0.00 46.19 46.79 1xoa s LEU 53 CO 0.58 -0.09 0.39 -0.89 -1.32 0.00 0.00 176.35 175.03 1xoa s THR 54 N 0.74 5.18 0.12 3.68 2.01 0.32 -4.52 115.64 123.17 1xoa s THR 54 Ca -0.06 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1xoa s THR 54 Cb -0.09 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 1xoa s THR 54 CO -0.02 -0.47 0.98 -0.69 -0.69 0.00 0.00 174.62 173.73 1xoa s VAL 55 N 1.86 4.40 0.07 3.82 1.01 -1.26 -0.82 120.40 129.47 1xoa s VAL 55 Ca 0.07 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.09 1xoa s VAL 55 Cb -0.20 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1xoa s VAL 55 CO 0.10 0.32 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 1xoa s ALA 56 N -0.06 0.88 0.04 5.51 0.00 0.76 -0.86 121.76 128.04 1xoa s ALA 56 Ca 0.47 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1xoa s ALA 56 Cb -0.24 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1xoa s ALA 56 CO 0.31 -0.01 -0.17 0.15 0.00 0.00 0.00 175.76 176.03 1xoa s LYS 57 N -2.18 1.15 -0.09 0.00 1.02 0.48 -0.41 119.74 119.70 1xoa s LYS 57 Ca -0.02 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 1xoa s LYS 57 Cb -0.06 -1.20 0.03 0.00 -0.52 0.00 0.00 37.83 36.07 1xoa s LYS 57 CO 0.00 0.30 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.56 1xoa s LEU 58 N -1.13 0.72 -0.62 3.17 0.20 -0.18 -0.76 118.68 120.09 1xoa s LEU 58 Ca 0.04 -0.19 -0.22 0.00 0.69 0.00 0.00 54.13 54.46 1xoa s LEU 58 Cb -0.08 -0.50 0.07 0.00 -0.43 0.00 0.00 46.19 45.24 1xoa s LEU 58 CO 0.01 -0.20 0.89 0.21 -0.29 0.00 0.00 176.35 176.97 1xoa s ASN 59 N 1.93 6.21 0.35 3.68 3.84 -1.26 -0.75 114.94 128.94 1xoa s ASN 59 Ca 0.04 -0.94 0.11 0.00 0.21 0.00 0.00 52.86 52.28 1xoa s ASN 59 Cb -0.13 -2.39 0.88 0.00 -0.55 0.00 0.00 41.25 39.06 1xoa s ASN 59 CO -0.06 -1.30 1.82 0.16 -2.79 0.00 0.00 177.10 174.93 1xoa h ILE 60 N 5.96 0.72 -0.23 -5.21 -0.00 -0.94 0.54 117.51 118.35 1xoa h ILE 60 Ca -0.28 -0.22 -0.00 0.00 -0.00 0.00 0.00 64.86 64.36 1xoa h ILE 60 Cb 1.08 0.04 -0.01 0.00 -0.00 0.00 0.00 36.82 37.92 1xoa h ILE 60 CO 1.13 0.11 0.13 0.44 -0.00 0.00 0.00 178.15 179.97 1xoa h ASP 61 N 0.63 0.28 1.78 2.16 5.19 -1.92 -1.53 116.42 123.01 1xoa h ASP 61 Ca 0.52 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 1xoa h ASP 61 Cb 0.97 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 1xoa h ASP 61 CO -0.27 0.27 -0.22 1.56 -3.12 0.00 0.00 179.24 177.46 1xoa h GLN 62 N 0.27 0.00 -2.14 3.56 4.20 -1.70 -3.38 115.11 115.93 1xoa h GLN 62 Ca 0.08 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.24 1xoa h GLN 62 Cb 0.05 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.42 1xoa h GLN 62 CO -0.01 0.03 -0.87 0.09 -0.67 0.00 0.00 178.83 177.39 1xoa n ASN 63 N -3.03 2.54 -0.11 1.46 5.03 0.18 -4.88 115.26 116.46 1xoa n ASN 63 Ca 0.03 -3.27 -0.11 0.00 0.87 0.00 0.00 54.58 52.10 1xoa n ASN 63 Cb 0.55 -0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 1xoa n ASN 63 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1xoa h PRO 64 N 3.40 0.54 -0.92 3.52 0.13 -1.47 -3.33 132.00 133.87 1xoa h PRO 64 Ca 0.13 -0.16 0.27 0.00 -0.87 0.00 0.00 66.00 65.37 1xoa h PRO 64 Cb 0.73 -0.06 -0.17 0.00 0.13 0.00 0.00 31.00 31.63 1xoa h PRO 64 CO 0.67 0.65 0.09 0.41 -0.23 0.00 0.00 178.00 179.58 1xoa n GLY 65 N -0.43 -1.18 0.15 1.56 0.00 -1.26 -0.51 105.19 103.53 1xoa n GLY 65 Ca -0.02 0.88 0.01 0.00 0.00 0.00 0.00 46.02 46.90 1xoa n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xoa h THR 66 N 0.00 1.20 0.14 2.61 2.02 -1.93 -3.36 112.91 113.59 1xoa h THR 66 Ca 0.59 -1.95 0.02 0.00 0.77 0.00 0.00 66.41 65.84 1xoa h THR 66 Cb 1.28 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 1xoa h THR 66 CO -0.85 0.52 -0.43 0.00 0.37 0.00 0.00 175.52 175.14 1xoa h ALA 67 N 1.47 -0.77 -0.50 6.16 0.00 -0.98 -2.10 119.26 122.53 1xoa h ALA 67 Ca -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xoa h ALA 67 Cb 1.06 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1xoa h ALA 67 CO 0.07 -1.00 0.17 -1.00 0.00 0.00 0.00 179.25 177.49 1xoa h PRO 68 N -0.68 0.77 -0.61 0.00 0.13 -1.72 0.61 132.00 130.51 1xoa h PRO 68 Ca 0.02 -0.16 0.13 0.00 -0.87 0.00 0.00 66.00 65.11 1xoa h PRO 68 Cb 0.69 -0.12 -0.11 0.00 0.13 0.00 0.00 31.00 31.59 1xoa h PRO 68 CO -0.23 0.71 -0.08 0.87 -0.23 0.00 0.00 178.00 179.04 1xoa h LYS 69 N 0.68 0.05 -0.76 0.86 1.57 -1.64 0.07 116.57 117.39 1xoa h LYS 69 Ca 0.16 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 1xoa h LYS 69 Cb 0.25 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.43 1xoa h LYS 69 CO -0.01 0.03 0.26 0.66 -0.57 0.00 0.00 179.45 179.82 1xoa n TYR 70 N -5.36 2.40 -4.19 -1.35 4.01 -0.81 -4.95 117.16 106.91 1xoa n TYR 70 Ca 0.08 -1.15 -0.30 0.00 -0.16 0.00 0.00 57.90 56.38 1xoa n TYR 70 Cb 0.34 -0.67 -0.07 0.00 -0.31 0.00 0.00 39.34 38.63 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 -0.08 -0.19 3.16 2.72 0.00 0.01 -4.81 105.19 106.00 1xoa n GLY 71 Ca 0.39 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 1xoa n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xoa n ILE 72 N -4.48 2.98 1.53 -0.61 2.08 0.15 -4.66 119.36 116.35 1xoa n ILE 72 Ca -0.28 -2.82 0.15 0.00 0.56 0.00 0.00 62.75 60.36 1xoa n ILE 72 Cb 0.67 -2.41 0.79 0.00 -0.75 0.00 0.00 39.64 37.94 1xoa n ILE 72 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xoa n ARG 73 N 7.22 0.53 -3.67 0.38 5.12 -1.26 -4.87 116.66 120.11 1xoa n ARG 73 Ca 0.50 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.32 1xoa n ARG 73 Cb 0.42 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.20 1xoa n ARG 73 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xoa s GLY 74 N -2.47 -0.29 0.03 -0.13 0.00 -1.26 -5.19 107.32 98.01 1xoa s GLY 74 Ca 0.32 0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.91 1xoa s GLY 74 CO 0.44 -0.02 0.30 -0.26 0.00 0.00 0.00 173.10 173.56 1xoa s ILE 75 N -3.85 0.08 0.40 0.90 -4.36 -1.26 -4.45 121.20 108.66 1xoa s ILE 75 Ca 0.07 -0.64 -0.25 0.00 -0.26 0.00 0.00 60.65 59.57 1xoa s ILE 75 Cb -0.03 -0.85 -0.08 0.00 1.25 0.00 0.00 42.46 42.75 1xoa s ILE 75 CO -0.02 -0.35 1.22 -2.16 0.24 0.00 0.00 174.94 173.87 1xoa s PRO 76 N -2.22 4.01 -0.05 0.37 0.04 -1.26 -4.82 135.00 131.08 1xoa s PRO 76 Ca -0.07 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 1xoa s PRO 76 Cb -0.02 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.84 1xoa s PRO 76 CO -0.01 -0.39 0.02 0.99 0.04 0.00 0.00 177.00 177.65 1xoa s THR 77 N -1.35 0.16 -0.28 1.26 2.01 -1.12 -0.09 115.64 116.23 1xoa s THR 77 Ca 0.57 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.72 1xoa s THR 77 Cb -0.33 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 71.84 1xoa s THR 77 CO 0.42 0.20 0.07 -0.76 -0.69 0.00 0.00 174.62 173.86 1xoa s LEU 78 N 1.77 3.70 -0.21 4.42 1.43 0.38 -0.55 118.68 129.63 1xoa s LEU 78 Ca 0.01 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1xoa s LEU 78 Cb -0.13 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1xoa s LEU 78 CO -0.03 -0.15 -0.02 -0.76 0.23 0.00 0.00 176.35 175.61 1xoa s LEU 79 N 1.51 3.04 -0.42 1.79 1.02 -0.07 -0.54 118.68 125.01 1xoa s LEU 79 Ca 0.03 -0.32 -0.16 0.00 0.02 0.00 0.00 54.13 53.70 1xoa s LEU 79 Cb -0.17 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.29 1xoa s LEU 79 CO 0.02 0.01 0.38 -0.22 0.02 0.00 0.00 176.35 176.56 1xoa s LEU 80 N 1.31 4.96 -0.18 1.79 2.96 -0.17 -0.47 118.68 128.89 1xoa s LEU 80 Ca 0.04 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1xoa s LEU 80 Cb -0.14 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1xoa s LEU 80 CO -0.01 -0.53 0.06 -0.36 -1.32 0.00 0.00 176.35 174.20 1xoa s PHE 81 N 1.96 3.26 -0.22 5.38 0.40 0.42 -0.18 117.98 128.99 1xoa s PHE 81 Ca 0.09 0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1xoa s PHE 81 Cb -0.18 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.33 1xoa s PHE 81 CO 0.12 0.18 -0.11 0.15 0.70 0.00 0.00 175.22 176.26 1xoa s LYS 82 N 0.30 2.20 -1.52 0.44 1.02 0.11 -0.61 119.74 121.66 1xoa s LYS 82 Ca 0.04 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 1xoa s LYS 82 Cb -0.12 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1xoa s LYS 82 CO 0.00 -0.47 0.88 -1.71 -0.92 0.00 0.00 175.35 173.13 1xoa n ASN 83 N 4.58 -3.79 0.00 2.83 5.15 0.81 -0.29 115.26 124.55 1xoa n ASN 83 Ca -0.15 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1xoa n ASN 83 Cb 0.45 -3.67 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xoa n GLY 84 N -1.65 2.04 3.66 8.20 0.00 -0.95 -4.77 105.19 111.72 1xoa n GLY 84 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.28 -0.21 1.61 2.02 0.60 -4.91 118.70 122.09 1xoa s GLU 85 Ca 0.00 1.32 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 1xoa s GLU 85 Cb 0.00 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1xoa s GLU 85 CO 0.00 -0.57 1.59 0.08 0.02 0.00 0.00 175.26 176.39 1xoa s VAL 86 N 2.97 3.72 -0.07 2.63 1.01 -1.26 -0.71 120.40 128.68 1xoa s VAL 86 Ca 0.44 0.82 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 1xoa s VAL 86 Cb -0.16 -3.72 -0.29 0.00 0.00 0.00 0.00 36.38 32.22 1xoa s VAL 86 CO 0.08 -0.28 0.89 0.00 0.00 0.00 0.00 175.10 175.79 1xoa h ALA 87 N 10.51 -0.04 -2.73 5.51 0.00 -0.92 -3.48 119.26 128.11 1xoa h ALA 87 Ca -0.33 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.02 1xoa h ALA 87 Cb 1.15 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 1xoa h ALA 87 CO 1.00 0.24 0.32 0.00 0.00 0.00 0.00 179.25 180.81 1xoa s ALA 88 N -2.49 -1.59 -0.02 0.00 0.00 -1.22 -5.04 121.76 111.40 1xoa s ALA 88 Ca -0.15 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1xoa s ALA 88 Cb -0.00 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1xoa s ALA 88 CO 0.78 -0.84 -0.03 0.95 0.00 0.00 0.00 175.76 176.63 1xoa s THR 89 N -3.56 0.30 -0.17 0.00 -4.23 -1.26 -1.00 115.64 105.72 1xoa s THR 89 Ca 0.05 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1xoa s THR 89 Cb -0.02 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.53 1xoa s THR 89 CO -0.06 0.13 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.28 1xoa s LYS 90 N 0.48 2.15 -0.12 3.99 2.36 0.30 -4.99 119.74 123.91 1xoa s LYS 90 Ca -0.05 -0.67 -0.14 0.00 -2.55 0.00 0.00 55.97 52.56 1xoa s LYS 90 Cb -0.08 -2.23 -0.05 0.00 -1.05 0.00 0.00 37.83 34.42 1xoa s LYS 90 CO -0.01 -0.32 0.32 0.08 1.55 0.00 0.00 175.35 176.97 1xoa s VAL 91 N 1.46 5.26 0.00 4.02 1.01 -1.26 -0.47 120.40 130.42 1xoa s VAL 91 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1xoa s VAL 91 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1xoa s VAL 91 CO -0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1xoa n GLY 92 N 2.91 -0.16 3.66 4.51 0.00 0.87 -5.00 105.19 111.99 1xoa n GLY 92 Ca -0.13 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.85 0.93 0.15 4.61 0.00 -1.26 -4.80 121.76 118.54 1xoa s ALA 93 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 1xoa s ALA 93 Cb 0.00 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 20.02 1xoa s ALA 93 CO 0.00 -2.84 0.74 -0.48 0.00 0.00 0.00 175.76 173.18 1xoa s LEU 94 N -6.51 -0.40 0.79 0.00 2.34 -1.26 -5.13 118.68 108.52 1xoa s LEU 94 Ca 0.65 -0.19 -0.11 0.00 0.06 0.00 0.00 54.13 54.54 1xoa s LEU 94 Cb -0.19 2.44 0.07 0.00 -0.56 0.00 0.00 46.19 47.94 1xoa s LEU 94 CO 0.58 -0.96 1.09 -0.94 -1.06 0.00 0.00 176.35 175.06 1xoa s SER 95 N -2.75 4.46 0.19 1.48 1.04 -1.26 -4.83 113.70 112.04 1xoa s SER 95 Ca 0.06 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.90 1xoa s SER 95 Cb -0.02 -2.28 0.21 0.00 0.10 0.00 0.00 66.02 64.04 1xoa s SER 95 CO -0.06 -2.02 1.73 0.50 0.98 0.00 0.00 173.24 174.38 1xoa h LYS 96 N -1.12 0.32 0.46 4.02 1.63 -1.98 0.32 116.57 120.21 1xoa h LYS 96 Ca -0.46 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1xoa h LYS 96 Cb 1.25 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1xoa h LYS 96 CO 0.56 0.21 -0.36 0.78 -3.45 0.00 0.00 179.45 177.19 1xoa h GLY 97 N 0.33 -0.89 0.38 5.01 0.00 -1.99 0.85 103.07 106.76 1xoa h GLY 97 Ca 0.26 0.40 0.10 0.00 0.00 0.00 0.00 47.33 48.09 1xoa h GLY 97 CO -0.29 -0.32 0.24 1.46 0.00 0.00 0.00 176.54 177.63 1xoa h GLN 98 N -0.81 0.42 0.06 4.80 4.20 -1.83 -0.22 115.11 121.73 1xoa h GLN 98 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xoa h GLN 98 Cb 0.69 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1xoa h GLN 98 CO -0.00 0.28 -0.06 1.25 -0.67 0.00 0.00 178.83 179.62 1xoa h LEU 99 N 0.43 -0.17 -0.35 1.46 5.85 -0.64 0.49 115.31 122.39 1xoa h LEU 99 Ca 0.32 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1xoa h LEU 99 Cb 0.39 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1xoa h LEU 99 CO -0.31 -0.10 -0.07 0.11 -0.34 0.00 0.00 178.44 177.73 1xoa h LYS 100 N -0.14 0.02 -0.08 1.25 1.57 -0.10 0.76 116.57 119.85 1xoa h LYS 100 Ca 0.00 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1xoa h LYS 100 Cb 0.14 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1xoa h LYS 100 CO -0.02 0.01 -0.06 0.93 -0.57 0.00 0.00 179.45 179.74 1xoa h GLU 101 N 0.02 -0.07 -0.05 3.15 4.39 -0.74 0.10 114.58 121.38 1xoa h GLU 101 Ca 0.17 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1xoa h GLU 101 Cb 0.25 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1xoa h GLU 101 CO -0.34 -0.05 -0.21 0.35 -1.16 0.00 0.00 179.01 177.60 1xoa h PHE 102 N -0.07 -0.57 0.18 4.33 3.57 -0.36 0.89 116.94 124.91 1xoa h PHE 102 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xoa h PHE 102 Cb 0.15 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1xoa h PHE 102 CO -0.17 -0.30 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.38 1xoa h LEU 103 N -0.32 -0.44 -0.23 0.59 3.38 -0.63 -1.13 115.31 116.53 1xoa h LEU 103 Ca 0.07 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1xoa h LEU 103 Cb 0.42 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1xoa h LEU 103 CO -0.23 -0.26 -0.15 -0.78 0.09 0.00 0.00 178.44 177.12 1xoa h ASP 104 N -0.37 -0.49 -0.85 -0.43 3.58 -0.57 0.15 116.42 117.45 1xoa h ASP 104 Ca -0.00 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.66 1xoa h ASP 104 Cb 0.35 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1xoa h ASP 104 CO -0.04 -0.19 0.55 0.00 -2.88 0.00 0.00 179.24 176.69 1xoa h ALA 105 N 1.02 1.72 0.03 -0.78 0.00 -0.58 0.11 119.26 120.78 1xoa h ALA 105 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1xoa h ALA 105 Cb 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xoa h ALA 105 CO -0.32 0.10 -0.32 -0.91 0.00 0.00 0.00 179.25 177.81 1xoa h ASN 106 N 0.79 0.22 -0.57 0.00 2.35 -0.24 -3.31 115.58 114.82 1xoa h ASN 106 Ca 0.40 -0.88 0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1xoa h ASN 106 Cb 0.47 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1xoa h ASN 106 CO -0.16 1.08 0.34 -0.07 -1.65 0.00 0.00 177.43 176.96 1xoa h LEU 107 N -0.61 0.53 0.00 1.61 3.38 -0.46 -3.52 115.31 116.24 1xoa h LEU 107 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xoa h LEU 107 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1xoa h LEU 107 CO 0.06 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.96