#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoa s ASP 2 N 0.00 -0.12 -0.34 6.43 1.47 -1.26 -4.98 116.67 117.87 1xoa s ASP 2 Ca 0.00 -0.70 0.15 0.00 1.18 0.00 0.00 52.55 53.18 1xoa s ASP 2 Cb 0.00 0.65 0.46 0.00 -0.34 0.00 0.00 42.92 43.69 1xoa s ASP 2 CO 0.00 -1.25 1.01 0.29 0.68 0.00 0.00 175.17 175.90 1xoa n LYS 3 N -0.53 1.80 -4.04 2.11 5.02 -1.26 -5.09 118.16 116.17 1xoa n LYS 3 Ca -0.06 -3.59 -0.36 0.00 -2.02 0.00 0.00 58.31 52.28 1xoa n LYS 3 Cb 0.60 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 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 -3.78 5.09 -0.37 -0.18 1.01 -1.26 -4.53 121.20 117.19 1xoa s ILE 4 Ca 0.33 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.81 1xoa s ILE 4 Cb 0.43 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1xoa s ILE 4 CO -0.02 0.60 0.73 -0.63 0.00 0.00 0.00 174.94 175.63 1xoa s ILE 5 N -0.88 4.78 -1.27 2.92 -1.09 -0.02 -4.88 121.20 120.77 1xoa s ILE 5 Ca 0.14 0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 59.18 1xoa s ILE 5 Cb -0.12 -4.17 0.14 0.00 -1.58 0.00 0.00 42.46 36.73 1xoa s ILE 5 CO 0.03 -0.41 1.68 1.41 -1.23 0.00 0.00 174.94 176.43 1xoa n HIS 6 N 6.30 4.24 -1.06 3.97 8.25 -1.26 -0.64 115.22 135.02 1xoa n HIS 6 Ca 0.01 -3.08 -0.31 0.00 -0.26 0.00 0.00 57.72 54.09 1xoa n HIS 6 Cb 0.48 -2.24 0.12 0.00 1.12 0.00 0.00 29.99 29.48 1xoa n HIS 6 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xoa s LEU 7 N 1.62 2.94 0.23 2.41 1.43 -1.25 -4.99 118.68 121.06 1xoa s LEU 7 Ca 0.44 1.94 0.08 0.00 -1.03 0.00 0.00 54.13 55.57 1xoa s LEU 7 Cb 0.03 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1xoa s LEU 7 CO 0.01 -2.44 -0.15 0.42 0.23 0.00 0.00 176.35 174.42 1xoa s THR 8 N -2.81 1.88 0.15 5.49 -4.23 -1.26 -4.34 115.64 110.51 1xoa s THR 8 Ca 0.63 -2.24 -0.18 0.00 -1.18 0.00 0.00 61.69 58.72 1xoa s THR 8 Cb -0.19 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1xoa s THR 8 CO 0.57 -0.53 1.68 -0.78 -0.54 0.00 0.00 174.62 175.02 1xoa h ASP 9 N 2.47 -0.28 -0.63 3.99 1.82 -1.94 0.81 116.42 122.67 1xoa h ASP 9 Ca -0.39 0.10 0.11 0.00 -0.39 0.00 0.00 57.03 56.46 1xoa h ASP 9 Cb 1.23 0.19 -0.08 0.00 0.68 0.00 0.00 39.33 41.35 1xoa h ASP 9 CO 0.62 -0.10 0.20 0.44 -1.61 0.00 0.00 179.24 178.80 1xoa h ASP 10 N 0.01 0.16 1.05 2.28 5.19 -2.01 -2.26 116.42 120.84 1xoa h ASP 10 Ca 0.16 0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.50 1xoa h ASP 10 Cb 0.24 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1xoa h ASP 10 CO -0.33 0.08 -0.79 0.77 -3.12 0.00 0.00 179.24 175.86 1xoa h SER 11 N 0.36 0.00 -0.79 6.45 4.64 -1.79 -3.39 113.55 119.03 1xoa h SER 11 Ca 0.33 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.76 1xoa h SER 11 Cb 0.45 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.42 1xoa h SER 11 CO -0.36 0.79 -0.34 0.33 -0.87 0.00 0.00 176.83 176.38 1xoa n PHE 12 N -3.40 -0.05 0.22 4.77 -0.00 0.22 -0.59 117.46 118.63 1xoa n PHE 12 Ca 0.00 0.98 -0.14 0.00 -0.00 0.00 0.00 57.45 58.29 1xoa n PHE 12 Cb 0.81 -0.75 -0.08 0.00 -0.00 0.00 0.00 39.48 39.47 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 -1.10 -0.73 -2.13 3.58 -1.76 0.25 116.42 114.53 1xoa h ASP 13 Ca 0.25 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 1xoa h ASP 13 Cb 0.45 0.37 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1xoa h ASP 13 CO -0.78 -0.52 0.37 0.74 -2.88 0.00 0.00 179.24 176.18 1xoa h THR 14 N -0.77 1.23 0.02 2.25 2.02 -1.67 0.00 112.91 116.00 1xoa h THR 14 Ca -0.05 -0.61 -0.26 0.00 0.77 0.00 0.00 66.41 66.26 1xoa h THR 14 Cb 0.68 0.30 0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1xoa h THR 14 CO -0.06 0.26 -1.04 0.44 0.37 0.00 0.00 175.52 175.49 1xoa h ASP 15 N 1.01 0.87 0.00 4.18 5.19 -0.78 -3.34 116.42 123.55 1xoa h ASP 15 Ca 0.25 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1xoa h ASP 15 Cb 0.08 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1xoa h ASP 15 CO -0.04 1.52 -0.62 0.52 -3.12 0.00 0.00 179.24 177.51 1xoa n VAL 16 N -3.88 0.97 0.03 -1.35 0.31 0.86 -4.20 118.33 111.06 1xoa n VAL 16 Ca -0.12 0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1xoa n VAL 16 Cb 0.88 -2.02 0.46 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.62 0.40 -1.26 7.52 3.38 -0.93 -0.53 115.31 123.27 1xoa h LEU 17 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xoa h LEU 17 Cb 0.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xoa h LEU 17 CO 0.00 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1xoa n LYS 18 N -4.48 1.82 -2.59 1.13 5.02 -0.63 -4.01 118.16 114.41 1xoa n LYS 18 Ca 0.03 -1.24 -0.42 0.00 -2.02 0.00 0.00 58.31 54.65 1xoa n LYS 18 Cb 0.09 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.73 2.99 -1.30 7.82 0.00 -0.21 -4.91 121.76 124.42 1xoa s ALA 19 Ca 0.32 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 1xoa s ALA 19 Cb 0.17 -4.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1xoa s ALA 19 CO 0.26 -2.69 2.30 -3.47 0.00 0.00 0.00 175.76 172.15 1xoa n ASP 20 N 8.45 4.61 0.00 0.00 2.03 -1.26 -2.87 116.55 127.51 1xoa n ASP 20 Ca 0.08 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1xoa n ASP 20 Cb 0.49 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 4.06 2.32 3.15 0.27 0.00 -1.26 -4.89 105.19 108.84 1xoa n GLY 21 Ca 0.56 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 2.75 -0.18 4.61 0.00 -1.26 -0.72 121.76 125.96 1xoa s ALA 22 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 51.96 50.21 1xoa s ALA 22 Cb 0.00 -1.84 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 1xoa s ALA 22 CO 0.00 -1.21 -0.11 0.42 0.00 0.00 0.00 175.76 174.87 1xoa s ILE 23 N 1.23 2.97 -0.47 0.00 1.01 0.40 -0.54 121.20 125.81 1xoa s ILE 23 Ca -0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1xoa s ILE 23 Cb -0.19 -2.30 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1xoa s ILE 23 CO -0.02 0.48 0.36 -0.22 0.00 0.00 0.00 174.94 175.54 1xoa s LEU 24 N 1.09 5.57 -0.38 2.97 2.96 0.05 -0.19 118.68 130.75 1xoa s LEU 24 Ca 0.00 -1.53 -0.21 0.00 -0.22 0.00 0.00 54.13 52.17 1xoa s LEU 24 Cb -0.15 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1xoa s LEU 24 CO -0.03 -0.65 0.67 -0.69 -1.32 0.00 0.00 176.35 174.33 1xoa s VAL 25 N 1.53 4.83 -0.45 1.68 1.01 0.34 -0.28 120.40 129.06 1xoa s VAL 25 Ca 0.04 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 1xoa s VAL 25 Cb -0.25 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.01 1xoa s VAL 25 CO 0.04 -0.43 0.62 -0.62 0.00 0.00 0.00 175.10 174.70 1xoa s ASP 26 N 1.88 6.29 -0.07 3.32 3.68 0.41 -0.80 116.67 131.38 1xoa s ASP 26 Ca 0.25 -0.48 -0.30 0.00 2.13 0.00 0.00 52.55 54.16 1xoa s ASP 26 Cb -0.14 -2.30 -0.02 0.00 -1.45 0.00 0.00 42.92 39.01 1xoa s ASP 26 CO 0.17 -0.78 1.01 -0.36 0.13 0.00 0.00 175.17 175.34 1xoa s PHE 27 N 2.72 3.54 0.35 -5.34 0.40 0.45 -1.29 117.98 118.81 1xoa s PHE 27 Ca 0.20 1.60 0.05 0.00 -0.60 0.00 0.00 56.93 58.18 1xoa s PHE 27 Cb -0.15 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 1xoa s PHE 27 CO 0.17 -0.23 0.18 1.67 0.70 0.00 0.00 175.22 177.71 1xoa s TRP 28 N 1.70 1.71 0.05 0.36 1.48 0.26 -2.95 118.94 121.55 1xoa s TRP 28 Ca 0.50 -1.42 -0.08 0.00 -1.06 0.00 0.00 56.10 54.05 1xoa s TRP 28 Cb -0.20 -0.93 -0.00 0.00 -1.16 0.00 0.00 33.47 31.18 1xoa s TRP 28 CO 0.21 -0.53 0.15 0.00 -4.06 0.00 0.00 176.95 172.72 1xoa s ALA 29 N -3.41 -0.18 0.55 2.67 0.00 -1.26 -0.53 121.76 119.60 1xoa s ALA 29 Ca 0.32 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.01 1xoa s ALA 29 Cb 0.03 0.32 1.53 0.00 0.00 0.00 0.00 23.12 25.01 1xoa s ALA 29 CO 0.19 -0.39 2.18 0.93 0.00 0.00 0.00 175.76 178.68 1xoa h GLU 30 N 3.32 0.00 -0.01 0.00 4.39 -1.98 0.69 114.58 120.98 1xoa h GLU 30 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1xoa h GLU 30 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1xoa h GLU 30 CO 0.52 0.00 -0.10 -2.67 -1.16 0.00 0.00 179.01 175.60 1xoa n TRP 31 N -4.19 0.00 -2.49 4.33 4.27 -1.26 -4.76 117.44 113.33 1xoa n TRP 31 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 1xoa n TRP 31 Cb 0.13 -0.04 -0.00 0.00 -1.36 0.00 0.00 31.31 30.04 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 12.40 -0.55 0.46 0.00 0.00 -1.86 -1.08 103.07 112.44 1xoa h GLY 33 Ca 0.46 0.57 0.18 0.00 0.00 0.00 0.00 47.33 48.55 1xoa h GLY 33 CO 1.50 -0.16 0.56 -2.55 0.00 0.00 0.00 176.54 175.89 1xoa h PRO 34 N -0.28 0.37 -0.67 4.80 0.11 -1.96 -0.05 132.00 134.33 1xoa h PRO 34 Ca 0.15 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1xoa h PRO 34 Cb 0.57 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1xoa h PRO 34 CO -0.64 0.24 0.30 0.00 -0.21 0.00 0.00 178.00 177.69 1xoa h LYS 36 N 0.93 0.45 -0.79 0.00 1.57 -0.94 -1.33 116.57 116.46 1xoa h LYS 36 Ca 0.23 -0.18 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1xoa h LYS 36 Cb 0.16 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 1xoa h LYS 36 CO -0.02 0.70 0.32 1.98 -0.57 0.00 0.00 179.45 181.86 1xoa h MET 37 N 0.17 0.42 -0.00 3.15 4.05 -0.47 0.69 114.93 122.94 1xoa h MET 37 Ca 0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1xoa h MET 37 Cb 0.55 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1xoa h MET 37 CO 0.03 0.28 -0.17 0.44 0.23 0.00 0.00 176.91 177.71 1xoa n ILE 38 N -5.01 0.00 -0.09 1.77 -5.35 -0.00 -4.35 119.36 106.31 1xoa n ILE 38 Ca 0.16 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.52 1xoa n ILE 38 Cb 0.46 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 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 3.51 0.17 -0.65 -1.28 0.00 0.34 0.37 119.26 121.73 1xoa h ALA 39 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1xoa h ALA 39 Cb 0.42 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1xoa h ALA 39 CO 0.00 -0.50 0.17 -1.35 0.00 0.00 0.00 179.25 177.57 1xoa h PRO 40 N -0.06 0.30 0.16 0.00 0.11 -1.76 0.20 132.00 130.95 1xoa h PRO 40 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xoa h PRO 40 Cb 0.32 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1xoa h PRO 40 CO -0.38 0.20 -0.16 0.82 -0.21 0.00 0.00 178.00 178.27 1xoa h ILE 41 N 0.31 0.65 -1.00 4.15 2.04 -1.50 0.56 117.51 122.71 1xoa h ILE 41 Ca 0.35 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.29 1xoa h ILE 41 Cb 0.52 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1xoa h ILE 41 CO -0.41 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 178.31 1xoa h LEU 42 N -0.35 1.00 0.09 1.44 3.38 -0.01 0.95 115.31 121.82 1xoa h LEU 42 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xoa h LEU 42 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xoa h LEU 42 CO -0.04 0.61 -0.04 0.44 0.09 0.00 0.00 178.44 179.49 1xoa h ASP 43 N 1.12 -0.10 -0.25 -0.43 3.32 0.01 0.12 116.42 120.20 1xoa h ASP 43 Ca 0.45 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.45 1xoa h ASP 43 Cb 0.27 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1xoa h ASP 43 CO -0.20 0.03 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.01 1xoa h GLU 44 N -0.23 0.06 -0.30 3.56 5.08 -0.29 -1.34 114.58 121.12 1xoa h GLU 44 Ca -0.01 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1xoa h GLU 44 Cb 0.19 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1xoa h GLU 44 CO 0.02 0.04 -0.01 0.82 -1.00 0.00 0.00 179.01 178.88 1xoa h ILE 45 N 0.06 0.77 -0.89 3.13 1.08 -0.65 0.13 117.51 121.14 1xoa h ILE 45 Ca 0.12 -0.03 0.14 0.00 -0.39 0.00 0.00 64.86 64.70 1xoa h ILE 45 Cb 0.16 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 1xoa h ILE 45 CO -0.21 0.01 0.50 0.00 -0.69 0.00 0.00 178.15 177.76 1xoa h ALA 46 N 1.26 1.36 0.30 1.87 0.00 -0.05 0.75 119.26 124.75 1xoa h ALA 46 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xoa h ALA 46 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xoa h ALA 46 CO -0.25 -0.00 -0.15 0.22 0.00 0.00 0.00 179.25 179.07 1xoa h ASP 47 N 0.73 -0.35 -0.59 0.00 3.58 -0.32 -2.23 116.42 117.25 1xoa h ASP 47 Ca 0.48 -0.19 0.12 0.00 0.42 0.00 0.00 57.03 57.85 1xoa h ASP 47 Cb 0.62 0.09 -0.11 0.00 1.72 0.00 0.00 39.33 41.65 1xoa h ASP 47 CO -0.33 0.10 -0.08 -0.33 -2.88 0.00 0.00 179.24 175.72 1xoa h GLU 48 N -0.90 0.05 -0.77 0.28 5.08 -0.29 -1.12 114.58 116.92 1xoa h GLU 48 Ca -0.04 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1xoa h GLU 48 Cb 0.52 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1xoa h GLU 48 CO 0.07 0.03 0.21 0.66 -1.00 0.00 0.00 179.01 178.98 1xoa n TYR 49 N -5.34 2.15 -1.63 4.33 4.02 0.21 -5.00 117.16 115.89 1xoa n TYR 49 Ca 0.07 -1.01 -0.49 0.00 -0.01 0.00 0.00 57.90 56.46 1xoa n TYR 49 Cb 0.32 -0.61 -0.05 0.00 -0.02 0.00 0.00 39.34 38.99 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 0.01 1.67 0.00 -0.72 10.64 -0.43 -0.50 117.38 128.06 1xoa n GLN 50 Ca 0.34 0.60 0.00 0.00 -1.83 0.00 0.00 57.00 56.12 1xoa n GLN 50 Cb 1.25 -2.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 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 2.99 3.00 0.13 2.61 0.00 -1.26 -4.71 105.19 107.95 1xoa n GLY 51 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 0.65 -4.42 1.61 5.02 0.35 -4.96 118.16 114.40 1xoa n LYS 52 Ca 0.00 0.18 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 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 -6.74 1.75 -0.42 -0.35 2.96 0.31 -4.44 118.68 111.76 1xoa s LEU 53 Ca -0.35 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1xoa s LEU 53 Cb 0.10 -0.60 0.08 0.00 0.50 0.00 0.00 46.19 46.27 1xoa s LEU 53 CO 0.59 0.06 0.25 -0.89 -1.32 0.00 0.00 176.35 175.05 1xoa s THR 54 N 0.27 4.10 0.25 3.68 2.01 0.30 -4.47 115.64 121.79 1xoa s THR 54 Ca -0.05 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 1xoa s THR 54 Cb -0.10 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1xoa s THR 54 CO 0.01 -0.53 0.95 -0.69 -0.69 0.00 0.00 174.62 173.66 1xoa s VAL 55 N 1.39 4.07 0.05 3.82 1.01 -1.26 -0.77 120.40 128.71 1xoa s VAL 55 Ca 0.03 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.07 1xoa s VAL 55 Cb -0.23 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1xoa s VAL 55 CO 0.01 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 1xoa s ALA 56 N -1.25 0.64 -0.31 5.51 0.00 0.61 -0.84 121.76 126.12 1xoa s ALA 56 Ca 0.43 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1xoa s ALA 56 Cb -0.25 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.01 1xoa s ALA 56 CO 0.31 -0.01 0.11 0.15 0.00 0.00 0.00 175.76 176.32 1xoa s LYS 57 N -1.67 0.68 -0.21 0.00 1.02 0.19 -0.45 119.74 119.30 1xoa s LYS 57 Ca -0.09 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.72 1xoa s LYS 57 Cb -0.10 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1xoa s LYS 57 CO 0.00 -1.00 0.22 -1.17 -0.92 0.00 0.00 175.35 172.48 1xoa s LEU 58 N 1.60 4.17 -0.40 3.17 0.20 -0.41 -3.89 118.68 123.12 1xoa s LEU 58 Ca 0.10 0.28 -0.23 0.00 0.69 0.00 0.00 54.13 54.97 1xoa s LEU 58 Cb -0.18 -2.23 0.02 0.00 -0.43 0.00 0.00 46.19 43.37 1xoa s LEU 58 CO -0.25 0.07 0.79 0.21 -0.29 0.00 0.00 176.35 176.88 1xoa s ASN 59 N 0.80 6.49 0.37 3.68 3.84 -1.26 -0.58 114.94 128.29 1xoa s ASN 59 Ca 0.11 0.17 0.12 0.00 0.21 0.00 0.00 52.86 53.47 1xoa s ASN 59 Cb -0.13 -2.39 0.71 0.00 -0.55 0.00 0.00 41.25 38.89 1xoa s ASN 59 CO 0.04 -0.81 1.83 0.16 -2.79 0.00 0.00 177.10 175.52 1xoa h ILE 60 N 5.85 1.26 -0.27 -5.21 3.07 -1.03 -0.12 117.51 121.06 1xoa h ILE 60 Ca -0.25 -1.23 -0.04 0.00 1.55 0.00 0.00 64.86 64.89 1xoa h ILE 60 Cb 1.09 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 1xoa h ILE 60 CO 0.93 0.36 0.01 0.44 -1.05 0.00 0.00 178.15 178.84 1xoa h ASP 61 N 0.04 0.45 -0.31 2.16 3.32 -1.93 -1.08 116.42 119.08 1xoa h ASP 61 Ca 0.00 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 1xoa h ASP 61 Cb 0.64 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1xoa h ASP 61 CO 0.05 0.64 -0.09 1.56 -1.72 0.00 0.00 179.24 179.68 1xoa h GLN 62 N 0.25 0.71 -2.51 3.56 4.20 -1.91 -3.36 115.11 116.06 1xoa h GLN 62 Ca 0.08 -0.22 -0.60 0.00 0.06 0.00 0.00 58.65 57.97 1xoa h GLN 62 Cb 0.40 -0.07 -0.41 0.00 0.30 0.00 0.00 27.48 27.70 1xoa h GLN 62 CO 0.01 0.79 -0.69 0.09 -0.67 0.00 0.00 178.83 178.36 1xoa n ASN 63 N -4.18 2.58 0.08 1.46 3.02 -0.07 -4.99 115.26 113.15 1xoa n ASN 63 Ca 0.01 -3.15 -0.14 0.00 -0.03 0.00 0.00 54.58 51.27 1xoa n ASN 63 Cb 0.34 -0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 38.74 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 4.75 -0.62 -0.87 3.52 0.11 -1.37 -3.16 132.00 134.36 1xoa h PRO 64 Ca 0.17 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.52 1xoa h PRO 64 Cb 0.75 0.14 -0.16 0.00 0.11 0.00 0.00 31.00 31.83 1xoa h PRO 64 CO 0.70 -0.41 -0.14 0.41 -0.21 0.00 0.00 178.00 178.34 1xoa n GLY 65 N -1.42 -1.37 0.38 -0.55 0.00 -1.26 -0.45 105.19 100.52 1xoa n GLY 65 Ca -0.07 0.90 0.16 0.00 0.00 0.00 0.00 46.02 47.01 1xoa n GLY 65 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xoa h THR 66 N 0.00 0.78 0.11 2.61 1.35 -1.92 -1.45 112.91 114.38 1xoa h THR 66 Ca 0.45 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 66.17 1xoa h THR 66 Cb 0.77 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1xoa h THR 66 CO -0.87 0.07 -0.05 0.00 -0.25 0.00 0.00 175.52 174.42 1xoa h ALA 67 N 1.64 -0.97 -0.69 6.62 0.00 -0.91 -1.61 119.26 123.35 1xoa h ALA 67 Ca 0.38 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.41 1xoa h ALA 67 Cb 0.90 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1xoa h ALA 67 CO -0.12 -0.96 -0.02 -1.35 0.00 0.00 0.00 179.25 176.80 1xoa h PRO 68 N -0.15 0.09 -0.69 0.00 0.11 -1.67 0.89 132.00 130.58 1xoa h PRO 68 Ca -0.01 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.24 1xoa h PRO 68 Cb 0.11 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.08 1xoa h PRO 68 CO 0.02 0.06 0.03 0.87 -0.21 0.00 0.00 178.00 178.77 1xoa h LYS 69 N 0.09 0.13 -0.74 1.05 1.57 -1.21 -0.10 116.57 117.36 1xoa h LYS 69 Ca 0.37 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.89 1xoa h LYS 69 Cb 0.62 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.75 1xoa h LYS 69 CO -0.62 0.08 0.30 0.66 -0.57 0.00 0.00 179.45 179.30 1xoa n TYR 70 N -5.29 2.42 -4.04 -1.35 4.01 -0.61 -4.94 117.16 107.34 1xoa n TYR 70 Ca 0.12 -1.30 -0.33 0.00 -0.16 0.00 0.00 57.90 56.22 1xoa n TYR 70 Cb 0.42 -0.70 -0.01 0.00 -0.31 0.00 0.00 39.34 38.73 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 -0.36 -0.46 3.56 2.72 0.00 -0.05 -4.86 105.19 105.73 1xoa n GLY 71 Ca 0.43 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.22 3.81 -1.17 -0.61 -1.09 0.17 -4.77 121.20 114.31 1xoa s ILE 72 Ca 0.69 -0.56 0.28 0.00 -2.23 0.00 0.00 60.65 58.83 1xoa s ILE 72 Cb -0.37 -4.85 0.26 0.00 -1.58 0.00 0.00 42.46 35.92 1xoa s ILE 72 CO 0.85 -1.75 1.81 0.54 -1.23 0.00 0.00 174.94 175.16 1xoa n ARG 73 N 8.94 0.18 -3.63 2.79 5.12 -1.26 -4.61 116.66 124.19 1xoa n ARG 73 Ca 0.31 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 56.18 1xoa n ARG 73 Cb 0.50 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.85 -0.37 0.12 -0.13 0.00 -1.26 -5.19 107.32 97.64 1xoa s GLY 74 Ca 0.18 0.76 0.04 0.00 0.00 0.00 0.00 44.72 45.70 1xoa s GLY 74 CO 0.55 0.18 -0.10 -0.26 0.00 0.00 0.00 173.10 173.47 1xoa s ILE 75 N -2.60 1.01 0.40 0.90 -5.25 -1.26 -4.40 121.20 109.99 1xoa s ILE 75 Ca 0.13 -1.86 -0.25 0.00 -0.99 0.00 0.00 60.65 57.67 1xoa s ILE 75 Cb 0.03 -1.61 -0.08 0.00 2.95 0.00 0.00 42.46 43.74 1xoa s ILE 75 CO -0.03 -0.68 1.18 -2.16 -1.79 0.00 0.00 174.94 171.46 1xoa s PRO 76 N -3.34 4.05 -0.04 0.37 0.04 -1.26 -4.86 135.00 129.95 1xoa s PRO 76 Ca 0.11 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1xoa s PRO 76 Cb 0.01 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1xoa s PRO 76 CO -0.00 -0.33 0.07 0.99 0.04 0.00 0.00 177.00 177.77 1xoa s THR 77 N -1.40 -0.12 -0.21 1.26 2.01 -1.15 -0.44 115.64 115.60 1xoa s THR 77 Ca 0.57 0.35 -0.08 0.00 0.31 0.00 0.00 61.69 62.84 1xoa s THR 77 Cb -0.31 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1xoa s THR 77 CO 0.40 0.15 0.08 -0.76 -0.69 0.00 0.00 174.62 173.79 1xoa s LEU 78 N 1.87 3.72 -0.19 4.42 1.43 0.73 -0.41 118.68 130.25 1xoa s LEU 78 Ca 0.00 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1xoa s LEU 78 Cb -0.12 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1xoa s LEU 78 CO -0.04 0.09 -0.19 -0.76 0.23 0.00 0.00 176.35 175.69 1xoa s LEU 79 N 0.85 2.27 -0.54 1.79 1.02 0.02 -0.50 118.68 123.59 1xoa s LEU 79 Ca 0.04 -0.69 -0.18 0.00 0.02 0.00 0.00 54.13 53.32 1xoa s LEU 79 Cb -0.14 -1.50 0.10 0.00 0.02 0.00 0.00 46.19 44.67 1xoa s LEU 79 CO 0.02 -0.02 0.59 -0.22 0.02 0.00 0.00 176.35 176.74 1xoa s LEU 80 N 1.29 5.54 -0.30 1.79 2.96 0.14 -0.51 118.68 129.58 1xoa s LEU 80 Ca 0.04 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.35 1xoa s LEU 80 Cb -0.14 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 1xoa s LEU 80 CO -0.12 -0.93 0.67 -0.36 -1.32 0.00 0.00 176.35 174.29 1xoa s PHE 81 N 2.23 3.21 -0.18 5.38 0.40 0.73 -0.30 117.98 129.46 1xoa s PHE 81 Ca 0.09 0.64 -0.03 0.00 -0.60 0.00 0.00 56.93 57.03 1xoa s PHE 81 Cb -0.25 -3.04 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1xoa s PHE 81 CO 0.07 -0.49 -0.07 0.15 0.70 0.00 0.00 175.22 175.58 1xoa s LYS 82 N 2.69 3.44 -1.50 0.44 1.02 0.56 -0.45 119.74 125.93 1xoa s LYS 82 Ca 0.27 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 1xoa s LYS 82 Cb -0.15 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.35 1xoa s LYS 82 CO 0.12 0.01 0.85 -1.71 -0.92 0.00 0.00 175.35 173.70 1xoa n ASN 83 N 4.18 -3.49 0.00 2.83 2.85 0.11 -0.82 115.26 120.92 1xoa n ASN 83 Ca -0.18 -0.84 0.00 0.00 -0.11 0.00 0.00 54.58 53.45 1xoa n ASN 83 Cb 0.52 -3.68 0.00 0.00 1.24 0.00 0.00 39.78 37.86 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xoa n GLY 84 N -1.66 1.94 3.64 8.20 0.00 -1.14 -4.90 105.19 111.27 1xoa n GLY 84 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.04 3.67 -0.37 1.61 0.41 0.00 -4.65 118.70 119.33 1xoa s GLU 85 Ca 0.00 -0.37 -0.27 0.00 -0.41 0.00 0.00 54.97 53.92 1xoa s GLU 85 Cb 0.00 -3.07 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1xoa s GLU 85 CO 0.00 0.41 2.20 0.08 -0.49 0.00 0.00 175.26 177.46 1xoa s VAL 86 N -0.03 3.10 -0.06 2.63 1.01 -1.26 -0.33 120.40 125.47 1xoa s VAL 86 Ca 0.05 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1xoa s VAL 86 Cb -0.12 -3.18 -0.31 0.00 0.00 0.00 0.00 36.38 32.77 1xoa s VAL 86 CO 0.01 -0.15 0.79 0.00 0.00 0.00 0.00 175.10 175.76 1xoa h ALA 87 N 16.43 -0.01 -2.81 5.51 0.00 -0.97 -3.48 119.26 133.94 1xoa h ALA 87 Ca -0.32 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 53.69 1xoa h ALA 87 Cb 1.23 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 1xoa h ALA 87 CO 1.07 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 180.79 1xoa s ALA 88 N -2.46 -0.56 0.21 0.00 0.00 -1.19 -5.04 121.76 112.71 1xoa s ALA 88 Ca -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 1xoa s ALA 88 Cb 0.02 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1xoa s ALA 88 CO 0.82 -0.78 0.27 0.95 0.00 0.00 0.00 175.76 177.02 1xoa s THR 89 N -3.93 0.01 0.00 0.00 -4.23 -1.26 -0.68 115.64 105.55 1xoa s THR 89 Ca 0.14 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 1xoa s THR 89 Cb 0.00 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1xoa s THR 89 CO 0.01 -0.07 0.32 -0.54 -0.54 0.00 0.00 174.62 173.80 1xoa s LYS 90 N -4.08 0.72 -0.01 3.99 -0.14 0.35 -4.99 119.74 115.58 1xoa s LYS 90 Ca 0.29 -0.26 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 1xoa s LYS 90 Cb 0.04 0.32 -0.01 0.00 -1.68 0.00 0.00 37.83 36.50 1xoa s LYS 90 CO 0.09 -0.21 -0.14 0.08 -0.76 0.00 0.00 175.35 174.41 1xoa s VAL 91 N -1.66 1.09 0.00 3.17 1.01 -1.26 -0.19 120.40 122.56 1xoa s VAL 91 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1xoa s VAL 91 Cb -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1xoa s VAL 91 CO 0.02 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1xoa n GLY 92 N 2.70 -1.89 3.75 4.51 0.00 0.42 -4.97 105.19 109.70 1xoa n GLY 92 Ca -0.14 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.01 1.43 0.17 4.61 0.00 -1.26 -4.80 121.76 119.89 1xoa s ALA 93 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1xoa s ALA 93 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.22 1xoa s ALA 93 CO 0.00 -2.72 0.66 -0.48 0.00 0.00 0.00 175.76 173.22 1xoa s LEU 94 N -6.30 -0.48 0.46 0.00 2.34 -1.26 -5.16 118.68 108.27 1xoa s LEU 94 Ca 0.67 -0.12 -0.19 0.00 0.06 0.00 0.00 54.13 54.55 1xoa s LEU 94 Cb -0.12 2.56 -0.10 0.00 -0.56 0.00 0.00 46.19 47.97 1xoa s LEU 94 CO 0.55 -1.00 0.95 -0.94 -1.06 0.00 0.00 176.35 174.84 1xoa s SER 95 N -2.76 6.82 0.22 1.48 1.04 -1.26 -4.87 113.70 114.36 1xoa s SER 95 Ca 0.03 1.62 -0.10 0.00 0.48 0.00 0.00 55.95 57.99 1xoa s SER 95 Cb -0.02 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.89 1xoa s SER 95 CO -0.09 -0.43 1.68 0.50 0.98 0.00 0.00 173.24 175.88 1xoa h LYS 96 N 1.56 0.16 0.29 4.02 3.64 -2.00 0.37 116.57 124.63 1xoa h LYS 96 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xoa h LYS 96 Cb 1.18 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1xoa h LYS 96 CO 0.61 0.11 -0.35 0.78 -2.27 0.00 0.00 179.45 178.33 1xoa h GLY 97 N 0.17 -0.79 0.37 5.01 0.00 -1.99 0.84 103.07 106.67 1xoa h GLY 97 Ca 0.33 0.41 0.10 0.00 0.00 0.00 0.00 47.33 48.17 1xoa h GLY 97 CO -0.49 -0.29 0.27 1.46 0.00 0.00 0.00 176.54 177.49 1xoa h GLN 98 N -0.69 0.45 0.25 4.80 7.50 -1.79 0.77 115.11 126.39 1xoa h GLN 98 Ca -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1xoa h GLN 98 Cb 0.65 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1xoa h GLN 98 CO -0.10 0.30 -0.17 1.25 -1.50 0.00 0.00 178.83 178.60 1xoa h LEU 99 N 0.46 -0.44 -0.47 1.46 5.85 -0.51 0.79 115.31 122.44 1xoa h LEU 99 Ca 0.34 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.16 1xoa h LEU 99 Cb 0.42 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1xoa h LEU 99 CO -0.31 -0.27 0.12 0.11 -0.34 0.00 0.00 178.44 177.75 1xoa h LYS 100 N -0.42 0.26 0.15 1.25 1.57 -0.03 0.30 116.57 119.65 1xoa h LYS 100 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xoa h LYS 100 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1xoa h LYS 100 CO 0.01 0.17 -0.13 0.93 -0.57 0.00 0.00 179.45 179.87 1xoa h GLU 101 N 0.27 -0.28 -0.05 3.15 5.08 -0.64 0.11 114.58 122.22 1xoa h GLU 101 Ca 0.23 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1xoa h GLU 101 Cb 0.28 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1xoa h GLU 101 CO -0.28 -0.19 -0.23 0.35 -1.00 0.00 0.00 179.01 177.66 1xoa h PHE 102 N -0.29 -0.61 0.04 4.33 3.57 -0.43 0.11 116.94 123.66 1xoa h PHE 102 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xoa h PHE 102 Cb 0.27 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1xoa h PHE 102 CO -0.11 -0.31 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.47 1xoa h LEU 103 N -0.34 -0.32 -0.15 0.59 3.38 -0.78 -0.66 115.31 117.05 1xoa h LEU 103 Ca 0.07 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xoa h LEU 103 Cb 0.44 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xoa h LEU 103 CO -0.24 -0.17 -0.14 -0.78 0.09 0.00 0.00 178.44 177.20 1xoa h ASP 104 N -0.21 -0.45 -0.95 -0.43 3.58 -0.50 0.15 116.42 117.61 1xoa h ASP 104 Ca 0.03 0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.66 1xoa h ASP 104 Cb 0.24 0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 1xoa h ASP 104 CO -0.09 -0.19 0.61 0.00 -2.88 0.00 0.00 179.24 176.70 1xoa h ALA 105 N 0.91 1.54 0.09 -0.78 0.00 -0.51 0.11 119.26 120.62 1xoa h ALA 105 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1xoa h ALA 105 Cb 0.31 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xoa h ALA 105 CO -0.25 0.27 -0.92 -0.91 0.00 0.00 0.00 179.25 177.44 1xoa h ASN 106 N 0.99 0.65 -0.44 0.00 2.35 -0.43 -3.27 115.58 115.43 1xoa h ASN 106 Ca 0.44 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1xoa h ASN 106 Cb 0.36 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1xoa h ASN 106 CO -0.20 1.43 0.28 -0.07 -1.65 0.00 0.00 177.43 177.22 1xoa h LEU 107 N -0.04 0.51 0.00 1.61 3.38 -0.40 -3.51 115.31 116.86 1xoa h LEU 107 Ca -0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xoa h LEU 107 Cb 1.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1xoa h LEU 107 CO 0.18 0.39 0.00 0.00 0.09 0.00 0.00 178.44 179.10