#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 5.54 -0.30 4.04 -1.08 -1.26 -3.73 116.67 119.88 1xoa s ASP 2 Ca 0.00 -0.14 0.09 0.00 -0.52 0.00 0.00 52.55 51.98 1xoa s ASP 2 Cb 0.00 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.38 1xoa s ASP 2 CO 0.00 -2.25 1.17 0.29 0.52 0.00 0.00 175.17 174.90 1xoa n LYS 3 N 9.16 3.34 -3.39 4.34 5.02 -1.26 -5.06 118.16 130.31 1xoa n LYS 3 Ca 0.20 -4.10 -0.37 0.00 -2.02 0.00 0.00 58.31 52.02 1xoa n LYS 3 Cb 0.50 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 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 -4.55 4.88 -0.38 -0.18 1.01 -1.26 -4.62 121.20 116.10 1xoa s ILE 4 Ca 0.47 0.96 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 1xoa s ILE 4 Cb 0.40 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1xoa s ILE 4 CO 0.01 0.48 0.64 -0.63 0.00 0.00 0.00 174.94 175.45 1xoa s ILE 5 N -1.20 4.86 -0.76 2.92 -1.09 -0.15 -4.89 121.20 120.90 1xoa s ILE 5 Ca 0.29 0.48 -0.24 0.00 -2.23 0.00 0.00 60.65 58.96 1xoa s ILE 5 Cb -0.17 -4.11 0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1xoa s ILE 5 CO 0.17 -0.39 1.15 -1.00 -1.23 0.00 0.00 174.94 173.64 1xoa s HIS 6 N 2.76 2.55 0.49 3.97 3.76 -1.26 -0.39 115.29 127.18 1xoa s HIS 6 Ca 0.24 -0.48 -0.05 0.00 -0.15 0.00 0.00 55.06 54.62 1xoa s HIS 6 Cb -0.14 -4.46 -0.03 0.00 1.11 0.00 0.00 32.58 29.05 1xoa s HIS 6 CO 0.16 -1.83 0.80 -0.51 -0.85 0.00 0.00 174.74 172.51 1xoa s LEU 7 N 4.65 3.60 0.20 0.89 1.43 0.24 -4.98 118.68 124.71 1xoa s LEU 7 Ca 0.31 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.41 1xoa s LEU 7 Cb -0.11 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 1xoa s LEU 7 CO 0.08 -0.61 -0.13 0.42 0.23 0.00 0.00 176.35 176.34 1xoa s THR 8 N -2.77 1.64 0.17 5.49 -4.23 -1.26 -4.37 115.64 110.31 1xoa s THR 8 Ca 0.48 -2.18 -0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1xoa s THR 8 Cb -0.10 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 71.78 1xoa s THR 8 CO 0.45 -0.60 1.70 -0.78 -0.54 0.00 0.00 174.62 174.85 1xoa h ASP 9 N 2.58 -0.16 -0.62 3.99 3.58 -1.93 0.11 116.42 123.96 1xoa h ASP 9 Ca -0.38 0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.26 1xoa h ASP 9 Cb 1.22 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 42.36 1xoa h ASP 9 CO 0.62 -0.04 0.24 0.44 -2.88 0.00 0.00 179.24 177.62 1xoa h ASP 10 N 0.11 0.25 1.05 2.28 5.19 -2.01 -2.46 116.42 120.84 1xoa h ASP 10 Ca 0.21 0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.52 1xoa h ASP 10 Cb 0.29 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1xoa h ASP 10 CO -0.34 0.15 -0.82 0.77 -3.12 0.00 0.00 179.24 175.88 1xoa h SER 11 N 0.43 0.00 -0.29 6.45 4.64 -1.78 -3.40 113.55 119.60 1xoa h SER 11 Ca 0.31 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.66 1xoa h SER 11 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1xoa h SER 11 CO -0.30 0.82 -0.17 0.33 -0.87 0.00 0.00 176.83 176.64 1xoa n PHE 12 N -3.39 -0.13 0.07 4.77 7.35 0.31 -0.60 117.46 125.84 1xoa n PHE 12 Ca 0.00 0.37 -0.13 0.00 -0.76 0.00 0.00 57.45 56.93 1xoa n PHE 12 Cb 0.84 -0.43 -0.06 0.00 0.35 0.00 0.00 39.48 40.18 1xoa n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1xoa h ASP 13 N 0.00 -1.13 -0.44 -2.13 5.19 -1.78 0.27 116.42 116.40 1xoa h ASP 13 Ca 0.05 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1xoa h ASP 13 Cb 0.12 0.44 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1xoa h ASP 13 CO -0.28 -0.43 0.29 0.71 -3.12 0.00 0.00 179.24 176.41 1xoa h THR 14 N -0.55 1.11 0.04 0.35 1.35 -1.68 -0.51 112.91 113.01 1xoa h THR 14 Ca 0.05 -0.20 -0.28 0.00 -0.55 0.00 0.00 66.41 65.43 1xoa h THR 14 Cb 0.62 0.46 0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1xoa h THR 14 CO -0.28 0.11 -1.11 0.44 -0.25 0.00 0.00 175.52 174.43 1xoa h ASP 15 N 0.60 0.88 0.00 5.36 5.19 -0.59 -3.33 116.42 124.52 1xoa h ASP 15 Ca 0.16 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 1xoa h ASP 15 Cb -0.07 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.17 1xoa h ASP 15 CO -0.04 1.54 -0.42 0.52 -3.12 0.00 0.00 179.24 177.72 1xoa n VAL 16 N -3.82 0.72 0.17 -1.35 0.31 0.91 -4.16 118.33 111.11 1xoa n VAL 16 Ca -0.12 0.33 0.06 0.00 -0.01 0.00 0.00 64.34 64.61 1xoa n VAL 16 Cb 0.92 -1.92 0.55 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.49 0.16 -1.29 7.52 3.38 -1.14 -0.66 115.31 122.80 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 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xoa h LEU 17 CO 0.00 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.95 1xoa n LYS 18 N -4.50 1.85 -2.46 1.13 5.02 -0.89 -3.99 118.16 114.32 1xoa n LYS 18 Ca -0.01 -1.27 -0.42 0.00 -2.02 0.00 0.00 58.31 54.59 1xoa n LYS 18 Cb 0.10 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.78 2.92 -1.31 7.82 0.00 -0.25 -4.90 121.76 124.26 1xoa s ALA 19 Ca 0.34 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1xoa s ALA 19 Cb 0.19 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1xoa s ALA 19 CO 0.28 -2.74 2.30 -3.47 0.00 0.00 0.00 175.76 172.12 1xoa n ASP 20 N 9.02 4.61 0.00 0.00 2.03 -1.26 -2.91 116.55 128.04 1xoa n ASP 20 Ca 0.12 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.71 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 1.86 3.18 0.27 0.00 -1.26 -4.90 105.19 108.41 1xoa n GLY 21 Ca 0.56 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 2.78 -0.14 4.61 0.00 -1.26 -0.58 121.76 126.16 1xoa s ALA 22 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1xoa s ALA 22 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1xoa s ALA 22 CO 0.00 -1.11 -0.12 0.42 0.00 0.00 0.00 175.76 174.95 1xoa s ILE 23 N 1.28 3.10 -0.40 0.00 1.01 0.31 -0.43 121.20 126.06 1xoa s ILE 23 Ca -0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 1xoa s ILE 23 Cb -0.19 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1xoa s ILE 23 CO -0.02 0.52 0.21 -0.22 0.00 0.00 0.00 174.94 175.43 1xoa s LEU 24 N 0.43 5.04 -0.30 2.97 2.96 -0.08 -0.22 118.68 129.49 1xoa s LEU 24 Ca -0.09 -1.67 -0.20 0.00 -0.22 0.00 0.00 54.13 51.95 1xoa s LEU 24 Cb -0.16 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1xoa s LEU 24 CO 0.05 -0.51 0.60 -0.69 -1.32 0.00 0.00 176.35 174.48 1xoa s VAL 25 N 1.31 4.97 -0.41 1.68 1.01 0.29 -0.20 120.40 129.05 1xoa s VAL 25 Ca 0.04 0.83 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 1xoa s VAL 25 Cb -0.23 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1xoa s VAL 25 CO -0.01 -0.11 0.43 -0.62 0.00 0.00 0.00 175.10 174.79 1xoa s ASP 26 N 1.63 6.19 -0.21 3.32 2.15 0.46 -0.74 116.67 129.47 1xoa s ASP 26 Ca 0.24 -0.60 -0.26 0.00 0.43 0.00 0.00 52.55 52.36 1xoa s ASP 26 Cb -0.15 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1xoa s ASP 26 CO 0.11 -0.54 0.88 -0.36 -0.17 0.00 0.00 175.17 175.09 1xoa s PHE 27 N 2.12 3.36 0.32 -5.34 0.40 0.04 -0.99 117.98 117.88 1xoa s PHE 27 Ca 0.12 1.25 0.05 0.00 -0.60 0.00 0.00 56.93 57.75 1xoa s PHE 27 Cb -0.17 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 1xoa s PHE 27 CO 0.13 -0.36 0.20 1.67 0.70 0.00 0.00 175.22 177.57 1xoa s TRP 28 N 2.67 1.64 -0.02 0.36 1.48 -0.05 -3.16 118.94 121.86 1xoa s TRP 28 Ca 0.38 -1.49 -0.12 0.00 -1.06 0.00 0.00 56.10 53.81 1xoa s TRP 28 Cb -0.16 -0.80 0.02 0.00 -1.16 0.00 0.00 33.47 31.37 1xoa s TRP 28 CO 0.09 -0.66 0.26 0.00 -4.06 0.00 0.00 176.95 172.58 1xoa s ALA 29 N -3.55 -0.66 0.41 2.67 0.00 -1.26 -0.58 121.76 118.79 1xoa s ALA 29 Ca 0.37 0.24 0.13 0.00 0.00 0.00 0.00 51.96 52.69 1xoa s ALA 29 Cb 0.04 0.04 0.96 0.00 0.00 0.00 0.00 23.12 24.16 1xoa s ALA 29 CO 0.21 -0.24 1.94 0.93 0.00 0.00 0.00 175.76 178.60 1xoa h GLU 30 N 4.12 0.49 0.00 0.00 3.07 -2.00 0.24 114.58 120.50 1xoa h GLU 30 Ca -0.30 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1xoa h GLU 30 Cb 1.18 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1xoa h GLU 30 CO 0.40 0.32 -0.24 -2.67 -1.40 0.00 0.00 179.01 175.42 1xoa n TRP 31 N -4.49 0.04 -2.57 4.33 4.27 -1.26 -4.66 117.44 113.11 1xoa n TRP 31 Ca 0.13 0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.32 1xoa n TRP 31 Cb 0.43 -0.41 -0.00 0.00 -1.36 0.00 0.00 31.31 29.97 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 12.69 -0.64 0.55 0.00 0.00 -1.83 0.69 103.07 114.53 1xoa h GLY 33 Ca 0.44 0.72 0.15 0.00 0.00 0.00 0.00 47.33 48.64 1xoa h GLY 33 CO 1.45 -0.03 0.56 -2.55 0.00 0.00 0.00 176.54 175.98 1xoa h PRO 34 N -0.05 0.61 -0.31 4.80 0.11 -1.96 0.16 132.00 135.37 1xoa h PRO 34 Ca 0.19 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xoa h PRO 34 Cb 0.47 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1xoa h PRO 34 CO -0.91 0.40 0.11 0.00 -0.21 0.00 0.00 178.00 177.39 1xoa h LYS 36 N 0.34 0.90 -0.73 0.00 1.57 -0.50 -2.33 116.57 115.83 1xoa h LYS 36 Ca 0.10 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1xoa h LYS 36 Cb 0.21 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.32 1xoa h LYS 36 CO -0.01 0.84 0.31 1.98 -0.57 0.00 0.00 179.45 182.01 1xoa h MET 37 N 0.80 0.48 0.00 3.15 4.05 -0.31 0.42 114.93 123.52 1xoa h MET 37 Ca 0.18 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1xoa h MET 37 Cb 0.35 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1xoa h MET 37 CO 0.00 0.32 0.00 0.44 0.23 0.00 0.00 176.91 177.90 1xoa n ILE 38 N -4.96 0.13 -0.03 1.77 -5.35 -0.51 -4.20 119.36 106.22 1xoa n ILE 38 Ca 0.13 0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.52 1xoa n ILE 38 Cb 0.36 -0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 37.64 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 2.93 -0.57 -0.93 -1.28 0.00 -0.36 0.12 119.26 119.17 1xoa h ALA 39 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1xoa h ALA 39 Cb 0.47 0.82 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1xoa h ALA 39 CO 0.00 -0.92 0.55 -1.00 0.00 0.00 0.00 179.25 177.88 1xoa h PRO 40 N -0.46 0.81 0.19 0.00 0.13 -1.73 0.13 132.00 131.07 1xoa h PRO 40 Ca 0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1xoa h PRO 40 Cb 0.62 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1xoa h PRO 40 CO -0.44 0.54 -0.10 0.82 -0.23 0.00 0.00 178.00 178.60 1xoa h ILE 41 N 0.84 0.80 -0.91 -3.56 2.04 -1.48 0.45 117.51 115.69 1xoa h ILE 41 Ca 0.48 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.43 1xoa h ILE 41 Cb 0.56 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1xoa h ILE 41 CO -0.30 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.34 1xoa h LEU 42 N -0.26 0.83 0.26 1.44 3.38 0.27 0.93 115.31 122.16 1xoa h LEU 42 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xoa h LEU 42 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xoa h LEU 42 CO 0.04 0.48 -0.12 0.44 0.09 0.00 0.00 178.44 179.37 1xoa h ASP 43 N 0.94 -0.29 -0.42 -0.43 3.32 -0.26 0.14 116.42 119.42 1xoa h ASP 43 Ca 0.43 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.53 1xoa h ASP 43 Cb 0.34 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1xoa h ASP 43 CO -0.23 -0.16 0.02 -0.33 -1.72 0.00 0.00 179.24 176.81 1xoa h GLU 44 N -0.40 0.12 -0.22 3.56 5.08 -0.24 0.09 114.58 122.57 1xoa h GLU 44 Ca -0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1xoa h GLU 44 Cb 0.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1xoa h GLU 44 CO 0.06 0.08 -0.00 0.82 -1.00 0.00 0.00 179.01 178.97 1xoa h ILE 45 N 0.13 0.84 -0.62 3.13 1.08 -0.63 0.10 117.51 121.55 1xoa h ILE 45 Ca 0.21 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.76 1xoa h ILE 45 Cb 0.29 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 34.73 1xoa h ILE 45 CO -0.33 0.01 0.20 0.00 -0.69 0.00 0.00 178.15 177.34 1xoa h ALA 46 N 1.19 0.78 0.55 1.87 0.00 0.44 0.10 119.26 124.20 1xoa h ALA 46 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1xoa h ALA 46 Cb 0.13 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xoa h ALA 46 CO -0.18 -0.23 -0.27 0.22 0.00 0.00 0.00 179.25 178.79 1xoa h ASP 47 N 0.36 -0.63 -0.51 0.00 1.82 -0.48 -1.70 116.42 115.28 1xoa h ASP 47 Ca 0.32 -0.05 0.10 0.00 -0.39 0.00 0.00 57.03 57.01 1xoa h ASP 47 Cb 0.43 0.16 -0.10 0.00 0.68 0.00 0.00 39.33 40.50 1xoa h ASP 47 CO -0.34 -0.28 -0.16 -0.33 -1.61 0.00 0.00 179.24 176.52 1xoa h GLU 48 N -1.01 -0.03 -0.72 0.28 5.08 -0.46 -1.22 114.58 116.49 1xoa h GLU 48 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1xoa h GLU 48 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1xoa h GLU 48 CO 0.12 -0.02 0.02 0.66 -1.00 0.00 0.00 179.01 178.79 1xoa n TYR 49 N -5.39 1.51 -1.55 4.33 4.02 0.33 -4.94 117.16 115.49 1xoa n TYR 49 Ca 0.05 -0.56 -0.36 0.00 -0.01 0.00 0.00 57.90 57.02 1xoa n TYR 49 Cb 0.29 -0.41 -0.04 0.00 -0.02 0.00 0.00 39.34 39.16 1xoa n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xoa n GLN 50 N 0.39 0.96 0.00 -0.72 7.27 -0.46 -0.21 117.38 124.60 1xoa n GLN 50 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1xoa n GLN 50 Cb 0.94 -3.32 0.00 0.00 2.41 0.00 0.00 30.24 30.27 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xoa n GLY 51 N 6.06 1.62 0.12 1.69 0.00 -1.26 -4.91 105.19 108.51 1xoa n GLY 51 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.02 0.67 -3.98 1.61 5.02 0.70 -4.97 118.16 117.19 1xoa n LYS 52 Ca 0.00 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.53 -0.14 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 -6.22 1.92 -0.44 -0.35 2.96 0.13 -4.56 118.68 112.11 1xoa s LEU 53 Ca -0.26 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1xoa s LEU 53 Cb 0.08 -0.12 0.10 0.00 0.50 0.00 0.00 46.19 46.75 1xoa s LEU 53 CO 0.68 0.01 0.30 -0.89 -1.32 0.00 0.00 176.35 175.14 1xoa s THR 54 N 0.05 4.20 0.21 3.68 2.01 0.43 -4.38 115.64 121.84 1xoa s THR 54 Ca -0.00 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 1xoa s THR 54 Cb -0.02 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1xoa s THR 54 CO -0.00 -0.64 0.97 -0.69 -0.69 0.00 0.00 174.62 173.56 1xoa s VAL 55 N 1.39 4.12 0.07 3.82 1.01 -1.26 -0.90 120.40 128.65 1xoa s VAL 55 Ca 0.04 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.05 1xoa s VAL 55 Cb -0.25 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1xoa s VAL 55 CO 0.01 0.43 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 1xoa s ALA 56 N -0.81 0.82 0.04 5.51 0.00 0.73 -0.98 121.76 127.07 1xoa s ALA 56 Ca 0.43 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1xoa s ALA 56 Cb -0.26 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1xoa s ALA 56 CO 0.32 -0.08 -0.15 0.15 0.00 0.00 0.00 175.76 176.00 1xoa s LYS 57 N -2.52 1.02 -0.05 0.00 1.02 0.48 -0.41 119.74 119.29 1xoa s LYS 57 Ca -0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1xoa s LYS 57 Cb -0.04 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.25 1xoa s LYS 57 CO -0.01 0.26 0.02 -1.17 -0.92 0.00 0.00 175.35 173.54 1xoa s LEU 58 N -1.12 0.49 -0.46 3.17 0.20 -0.16 -0.60 118.68 120.20 1xoa s LEU 58 Ca 0.03 -0.01 -0.26 0.00 0.69 0.00 0.00 54.13 54.58 1xoa s LEU 58 Cb -0.08 -0.29 0.03 0.00 -0.43 0.00 0.00 46.19 45.42 1xoa s LEU 58 CO 0.01 -0.20 0.95 0.21 -0.29 0.00 0.00 176.35 177.03 1xoa s ASN 59 N 1.92 6.53 0.36 3.68 3.84 -1.26 -0.88 114.94 129.13 1xoa s ASN 59 Ca 0.03 0.19 0.10 0.00 0.21 0.00 0.00 52.86 53.40 1xoa s ASN 59 Cb -0.12 -2.46 0.67 0.00 -0.55 0.00 0.00 41.25 38.79 1xoa s ASN 59 CO -0.04 -1.07 1.82 0.16 -2.79 0.00 0.00 177.10 175.19 1xoa h ILE 60 N 6.08 1.25 -0.37 -5.21 -0.00 -1.06 0.62 117.51 118.84 1xoa h ILE 60 Ca -0.24 -1.19 -0.02 0.00 -0.00 0.00 0.00 64.86 63.42 1xoa h ILE 60 Cb 1.07 1.55 -0.02 0.00 -0.00 0.00 0.00 36.82 39.42 1xoa h ILE 60 CO 1.04 0.35 0.16 0.44 -0.00 0.00 0.00 178.15 180.14 1xoa h ASP 61 N 0.12 0.50 0.02 2.16 5.19 -1.92 0.14 116.42 122.61 1xoa h ASP 61 Ca 0.02 -0.15 -0.18 0.00 -0.62 0.00 0.00 57.03 56.10 1xoa h ASP 61 Cb 0.61 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1xoa h ASP 61 CO 0.04 0.51 -0.61 1.56 -3.12 0.00 0.00 179.24 177.62 1xoa h GLN 62 N 0.45 0.59 -2.17 3.56 4.20 -1.91 -3.38 115.11 116.46 1xoa h GLN 62 Ca 0.12 -0.40 -0.59 0.00 0.06 0.00 0.00 58.65 57.84 1xoa h GLN 62 Cb 0.16 0.06 -0.42 0.00 0.30 0.00 0.00 27.48 27.58 1xoa h GLN 62 CO -0.01 1.02 -0.66 0.09 -0.67 0.00 0.00 178.83 178.60 1xoa n ASN 63 N -3.94 3.31 -0.06 1.46 3.02 0.20 -4.94 115.26 114.31 1xoa n ASN 63 Ca -0.04 -3.35 -0.11 0.00 -0.03 0.00 0.00 54.58 51.05 1xoa n ASN 63 Cb 0.64 -0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1xoa n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xoa h PRO 64 N 4.14 0.32 -1.18 3.52 0.13 -1.16 -3.21 132.00 134.56 1xoa h PRO 64 Ca 0.18 -0.07 0.41 0.00 -0.87 0.00 0.00 66.00 65.66 1xoa h PRO 64 Cb 0.69 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.62 1xoa h PRO 64 CO 0.79 0.42 0.72 0.78 -0.23 0.00 0.00 178.00 180.47 1xoa h GLY 65 N 0.16 1.73 2.00 1.56 0.00 -1.92 0.28 103.07 106.88 1xoa h GLY 65 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1xoa h GLY 65 CO -0.00 -0.54 -0.18 -0.84 0.00 0.00 0.00 176.54 174.98 1xoa h THR 66 N 0.10 0.41 0.24 4.70 2.02 -1.94 -3.36 112.91 115.08 1xoa h THR 66 Ca 0.82 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1xoa h THR 66 Cb 2.35 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1xoa h THR 66 CO -0.56 0.17 -0.11 0.00 0.37 0.00 0.00 175.52 175.39 1xoa h ALA 67 N 1.82 -0.32 -1.01 6.16 0.00 -1.11 -3.29 119.26 121.51 1xoa h ALA 67 Ca -0.00 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 54.96 1xoa h ALA 67 Cb 0.76 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1xoa h ALA 67 CO 0.02 -0.38 0.65 -1.35 0.00 0.00 0.00 179.25 178.19 1xoa h PRO 68 N -0.91 0.45 -0.94 0.00 0.11 -1.70 -0.37 132.00 128.63 1xoa h PRO 68 Ca -0.03 -0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.33 1xoa h PRO 68 Cb 0.50 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 31.35 1xoa h PRO 68 CO 0.05 0.30 0.32 0.87 -0.21 0.00 0.00 178.00 179.33 1xoa h LYS 69 N 0.46 0.17 -0.11 1.05 1.57 -1.70 0.69 116.57 118.71 1xoa h LYS 69 Ca 0.58 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.30 1xoa h LYS 69 Cb 1.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1xoa h LYS 69 CO -0.31 0.11 -0.37 0.66 -0.57 0.00 0.00 179.45 178.97 1xoa n TYR 70 N -5.23 0.33 -4.11 -1.35 4.01 -0.86 -4.98 117.16 104.97 1xoa n TYR 70 Ca 0.26 -1.53 -0.34 0.00 -0.16 0.00 0.00 57.90 56.13 1xoa n TYR 70 Cb 0.84 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.12 -0.45 3.50 2.72 0.00 0.23 -4.84 105.19 105.24 1xoa n GLY 71 Ca 0.23 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 3.71 1.30 -0.61 5.41 -0.21 -4.66 119.36 119.83 1xoa n ILE 72 Ca 0.04 -3.81 0.13 0.00 1.00 0.00 0.00 62.75 60.12 1xoa n ILE 72 Cb 0.51 -2.36 0.45 0.00 -0.71 0.00 0.00 39.64 37.54 1xoa n ILE 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xoa n ARG 73 N 8.18 0.84 -4.03 0.38 5.12 -1.26 -4.64 116.66 121.26 1xoa n ARG 73 Ca 0.49 -0.45 -0.08 0.00 -1.93 0.00 0.00 57.85 55.88 1xoa n ARG 73 Cb 0.45 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 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 0.43 0.06 -0.13 0.00 -1.26 -5.18 107.32 98.76 1xoa s GLY 74 Ca 0.26 -1.07 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1xoa s GLY 74 CO 0.50 -1.16 0.22 -0.26 0.00 0.00 0.00 173.10 172.40 1xoa s ILE 75 N -3.92 0.11 0.44 0.90 -4.36 -1.26 -4.48 121.20 108.63 1xoa s ILE 75 Ca 0.09 -0.92 -0.24 0.00 -0.26 0.00 0.00 60.65 59.32 1xoa s ILE 75 Cb 0.07 -1.04 -0.08 0.00 1.25 0.00 0.00 42.46 42.67 1xoa s ILE 75 CO -0.08 -0.51 1.21 -2.16 0.24 0.00 0.00 174.94 173.64 1xoa s PRO 76 N -2.94 3.80 -0.04 0.37 0.04 -1.26 -4.80 135.00 130.16 1xoa s PRO 76 Ca -0.02 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 1xoa s PRO 76 Cb 0.01 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1xoa s PRO 76 CO -0.06 -0.56 0.03 0.99 0.04 0.00 0.00 177.00 177.45 1xoa s THR 77 N -1.43 0.04 -0.29 1.26 2.01 -1.19 -0.20 115.64 115.85 1xoa s THR 77 Ca 0.62 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.80 1xoa s THR 77 Cb -0.32 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1xoa s THR 77 CO 0.40 0.16 0.08 -0.76 -0.69 0.00 0.00 174.62 173.81 1xoa s LEU 78 N 1.63 3.76 -0.29 4.42 1.43 0.33 -0.78 118.68 129.19 1xoa s LEU 78 Ca -0.02 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 1xoa s LEU 78 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1xoa s LEU 78 CO -0.03 -0.16 0.11 -0.76 0.23 0.00 0.00 176.35 175.74 1xoa s LEU 79 N 1.52 3.87 -0.51 1.79 1.02 0.08 -0.66 118.68 125.79 1xoa s LEU 79 Ca 0.03 -0.50 -0.18 0.00 0.02 0.00 0.00 54.13 53.50 1xoa s LEU 79 Cb -0.17 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.17 1xoa s LEU 79 CO 0.02 -0.16 0.55 -0.22 0.02 0.00 0.00 176.35 176.57 1xoa s LEU 80 N 1.58 5.35 -0.29 1.79 2.96 0.06 -0.55 118.68 129.59 1xoa s LEU 80 Ca 0.04 -1.20 -0.16 0.00 -0.22 0.00 0.00 54.13 52.59 1xoa s LEU 80 Cb -0.17 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1xoa s LEU 80 CO 0.04 -0.84 0.42 -0.36 -1.32 0.00 0.00 176.35 174.29 1xoa s PHE 81 N 2.22 3.24 -0.20 5.38 0.40 0.70 -0.19 117.98 129.52 1xoa s PHE 81 Ca 0.10 0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.77 1xoa s PHE 81 Cb -0.23 -2.66 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 1xoa s PHE 81 CO 0.09 -0.30 -0.05 0.15 0.70 0.00 0.00 175.22 175.81 1xoa s LYS 82 N 2.16 3.43 -1.50 0.44 1.02 0.59 -0.53 119.74 125.34 1xoa s LYS 82 Ca 0.16 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.44 1xoa s LYS 82 Cb -0.16 -2.97 0.07 0.00 -0.52 0.00 0.00 37.83 34.25 1xoa s LYS 82 CO 0.10 -0.09 0.87 -1.71 -0.92 0.00 0.00 175.35 173.61 1xoa n ASN 83 N 4.49 -3.65 0.00 2.83 2.85 0.25 -0.70 115.26 121.33 1xoa n ASN 83 Ca -0.18 -0.83 0.00 0.00 -0.11 0.00 0.00 54.58 53.46 1xoa n ASN 83 Cb 0.51 -3.74 0.00 0.00 1.24 0.00 0.00 39.78 37.79 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 2.36 3.78 8.20 0.00 -1.15 -4.90 105.19 111.82 1xoa n GLY 84 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 4.09 -0.34 1.61 0.41 0.13 -4.73 118.70 119.86 1xoa s GLU 85 Ca 0.00 0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.58 1xoa s GLU 85 Cb 0.00 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 1xoa s GLU 85 CO 0.00 0.44 1.98 0.08 -0.49 0.00 0.00 175.26 177.27 1xoa s VAL 86 N -0.22 3.29 -0.05 2.63 1.01 -1.26 -0.30 120.40 125.49 1xoa s VAL 86 Ca 0.22 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 1xoa s VAL 86 Cb -0.15 -3.43 -0.31 0.00 0.00 0.00 0.00 36.38 32.49 1xoa s VAL 86 CO 0.09 -0.31 0.89 0.00 0.00 0.00 0.00 175.10 175.78 1xoa h ALA 87 N 14.35 -0.08 -2.96 5.51 0.00 -0.90 -3.48 119.26 131.71 1xoa h ALA 87 Ca -0.34 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 53.87 1xoa h ALA 87 Cb 1.20 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1xoa h ALA 87 CO 1.04 0.34 0.18 0.00 0.00 0.00 0.00 179.25 180.81 1xoa s ALA 88 N -2.45 -1.52 -0.03 0.00 0.00 -1.16 -5.04 121.76 111.55 1xoa s ALA 88 Ca -0.14 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1xoa s ALA 88 Cb 0.01 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1xoa s ALA 88 CO 0.82 -0.75 -0.02 0.95 0.00 0.00 0.00 175.76 176.76 1xoa s THR 89 N -3.73 0.31 -0.19 0.00 -4.23 -1.26 -0.76 115.64 105.77 1xoa s THR 89 Ca 0.01 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1xoa s THR 89 Cb -0.01 -0.38 0.02 0.00 1.34 0.00 0.00 72.50 73.48 1xoa s THR 89 CO -0.13 0.17 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.20 1xoa s LYS 90 N 0.97 2.96 -0.16 3.99 2.36 0.16 -4.98 119.74 125.04 1xoa s LYS 90 Ca -0.11 -0.85 -0.11 0.00 -2.55 0.00 0.00 55.97 52.35 1xoa s LYS 90 Cb -0.14 -2.63 -0.05 0.00 -1.05 0.00 0.00 37.83 33.96 1xoa s LYS 90 CO -0.01 -0.24 0.19 0.08 1.55 0.00 0.00 175.35 176.93 1xoa s VAL 91 N 1.29 5.38 0.00 4.02 1.01 -1.26 -0.51 120.40 130.33 1xoa s VAL 91 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1xoa s VAL 91 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1xoa s VAL 91 CO -0.12 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1xoa n GLY 92 N 3.12 0.93 3.80 4.51 0.00 0.72 -5.00 105.19 113.28 1xoa n GLY 92 Ca -0.15 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.61 2.06 0.18 4.61 0.00 -1.26 -4.78 121.76 119.95 1xoa s ALA 93 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.37 1xoa s ALA 93 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1xoa s ALA 93 CO 0.00 -1.97 0.67 -0.48 0.00 0.00 0.00 175.76 173.98 1xoa s LEU 94 N -5.88 -0.46 0.79 0.00 2.34 -1.26 -5.13 118.68 109.09 1xoa s LEU 94 Ca 0.62 -0.17 -0.11 0.00 0.06 0.00 0.00 54.13 54.53 1xoa s LEU 94 Cb -0.14 2.56 0.07 0.00 -0.56 0.00 0.00 46.19 48.12 1xoa s LEU 94 CO 0.54 -1.03 1.09 -0.94 -1.06 0.00 0.00 176.35 174.94 1xoa s SER 95 N -2.78 4.46 0.20 1.48 1.04 -1.26 -4.82 113.70 112.02 1xoa s SER 95 Ca 0.04 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.88 1xoa s SER 95 Cb -0.02 -2.26 0.23 0.00 0.10 0.00 0.00 66.02 64.07 1xoa s SER 95 CO -0.07 -2.01 1.78 0.50 0.98 0.00 0.00 173.24 174.42 1xoa h LYS 96 N -1.12 0.52 0.21 4.02 3.64 -1.99 0.43 116.57 122.28 1xoa h LYS 96 Ca -0.46 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1xoa h LYS 96 Cb 1.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1xoa h LYS 96 CO 0.56 0.34 -0.25 0.78 -2.27 0.00 0.00 179.45 178.62 1xoa h GLY 97 N 0.53 -0.52 0.65 5.01 0.00 -1.99 0.10 103.07 106.85 1xoa h GLY 97 Ca 0.28 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.95 1xoa h GLY 97 CO -0.22 -0.22 0.22 1.46 0.00 0.00 0.00 176.54 177.78 1xoa h GLN 98 N -0.50 0.42 0.19 4.80 4.20 -1.82 0.16 115.11 122.56 1xoa h GLN 98 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xoa h GLN 98 Cb 0.48 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1xoa h GLN 98 CO -0.08 0.28 -0.12 1.25 -0.67 0.00 0.00 178.83 179.49 1xoa h LEU 99 N 0.44 -0.30 -0.36 1.46 5.85 -0.57 0.98 115.31 122.81 1xoa h LEU 99 Ca 0.23 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1xoa h LEU 99 Cb 0.18 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1xoa h LEU 99 CO -0.19 -0.20 0.08 0.11 -0.34 0.00 0.00 178.44 177.90 1xoa h LYS 100 N -0.31 0.20 0.15 1.25 1.57 -0.49 0.53 116.57 119.47 1xoa h LYS 100 Ca -0.02 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1xoa h LYS 100 Cb 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1xoa h LYS 100 CO 0.02 0.13 -0.20 1.49 -0.57 0.00 0.00 179.45 180.32 1xoa h GLU 101 N 0.21 -0.38 -0.08 3.15 4.57 -0.72 0.64 114.58 121.96 1xoa h GLU 101 Ca 0.17 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1xoa h GLU 101 Cb 0.18 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 1xoa h GLU 101 CO -0.21 -0.25 -0.27 0.35 -1.18 0.00 0.00 179.01 177.45 1xoa h PHE 102 N -0.40 -0.72 0.17 0.92 3.57 -0.45 0.90 116.94 120.93 1xoa h PHE 102 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xoa h PHE 102 Cb 0.40 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1xoa h PHE 102 CO -0.17 -0.35 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.30 1xoa h LEU 103 N -0.36 -0.49 -0.16 0.59 3.38 -0.69 0.15 115.31 117.72 1xoa h LEU 103 Ca 0.09 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1xoa h LEU 103 Cb 0.49 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1xoa h LEU 103 CO -0.29 -0.27 -0.18 -0.78 0.09 0.00 0.00 178.44 177.01 1xoa h ASP 104 N -0.39 -0.57 -1.00 -0.43 3.58 -0.62 0.16 116.42 117.16 1xoa h ASP 104 Ca 0.01 0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1xoa h ASP 104 Cb 0.38 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.63 1xoa h ASP 104 CO -0.06 -0.23 0.64 0.00 -2.88 0.00 0.00 179.24 176.71 1xoa h ALA 105 N 0.84 1.45 0.08 -0.78 0.00 -0.57 0.78 119.26 121.07 1xoa h ALA 105 Ca 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1xoa h ALA 105 Cb 0.38 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xoa h ALA 105 CO -0.29 0.37 -0.92 -0.91 0.00 0.00 0.00 179.25 177.50 1xoa h ASN 106 N 1.11 0.66 -0.20 0.00 2.35 -0.30 -3.27 115.58 115.94 1xoa h ASN 106 Ca 0.45 -0.83 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1xoa h ASN 106 Cb 0.27 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xoa h ASN 106 CO -0.20 1.43 0.11 -0.07 -1.65 0.00 0.00 177.43 177.05 1xoa h LEU 107 N -0.02 0.18 0.00 1.61 3.38 -0.44 -3.51 115.31 116.51 1xoa h LEU 107 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xoa h LEU 107 Cb 1.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1xoa h LEU 107 CO 0.18 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.84