#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 5.66 -0.23 4.04 -1.08 -1.26 -3.60 116.67 120.20 1xoa s ASP 2 Ca 0.00 0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.19 1xoa s ASP 2 Cb 0.00 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.35 1xoa s ASP 2 CO 0.00 -2.13 1.21 0.29 0.52 0.00 0.00 175.17 175.06 1xoa n LYS 3 N 9.21 2.24 -3.05 4.34 5.02 -1.26 -5.06 118.16 129.59 1xoa n LYS 3 Ca 0.14 -3.58 -0.39 0.00 -2.02 0.00 0.00 58.31 52.46 1xoa n LYS 3 Cb 0.51 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.65 4.56 -0.26 -0.18 1.01 -1.26 -4.64 121.20 116.79 1xoa s ILE 4 Ca 0.42 1.56 -0.18 0.00 0.00 0.00 0.00 60.65 62.46 1xoa s ILE 4 Cb 0.38 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1xoa s ILE 4 CO -0.03 0.48 0.51 -0.63 0.00 0.00 0.00 174.94 175.26 1xoa s ILE 5 N -0.81 5.08 -0.58 2.92 -1.09 -0.37 -4.90 121.20 121.45 1xoa s ILE 5 Ca 0.35 0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 59.41 1xoa s ILE 5 Cb -0.21 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.90 1xoa s ILE 5 CO 0.23 0.09 0.87 -1.00 -1.23 0.00 0.00 174.94 173.91 1xoa s HIS 6 N 2.30 2.82 0.52 3.97 3.76 -1.26 -0.34 115.29 127.05 1xoa s HIS 6 Ca 0.21 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 1xoa s HIS 6 Cb -0.16 -4.03 0.00 0.00 1.11 0.00 0.00 32.58 29.51 1xoa s HIS 6 CO 0.09 -1.38 0.78 -0.51 -0.85 0.00 0.00 174.74 172.87 1xoa s LEU 7 N 3.65 3.44 0.13 0.89 1.43 0.19 -4.98 118.68 123.43 1xoa s LEU 7 Ca 0.24 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1xoa s LEU 7 Cb -0.16 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1xoa s LEU 7 CO 0.14 -0.89 -0.03 0.42 0.23 0.00 0.00 176.35 176.22 1xoa s THR 8 N -2.76 0.60 0.23 5.49 -4.23 -1.26 -4.43 115.64 109.29 1xoa s THR 8 Ca 0.51 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1xoa s THR 8 Cb -0.10 -1.88 0.19 0.00 1.34 0.00 0.00 72.50 72.05 1xoa s THR 8 CO 0.41 -0.69 1.76 -0.78 -0.54 0.00 0.00 174.62 174.79 1xoa h ASP 9 N 2.86 0.40 -0.37 3.99 3.58 -1.94 0.10 116.42 125.04 1xoa h ASP 9 Ca -0.36 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1xoa h ASP 9 Cb 1.18 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 1xoa h ASP 9 CO 0.63 0.21 0.24 0.44 -2.88 0.00 0.00 179.24 177.89 1xoa h ASP 10 N 0.55 0.44 1.28 2.28 5.19 -2.02 -2.99 116.42 121.15 1xoa h ASP 10 Ca 0.37 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.64 1xoa h ASP 10 Cb 0.45 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1xoa h ASP 10 CO -0.31 0.33 -0.57 0.77 -3.12 0.00 0.00 179.24 176.33 1xoa h SER 11 N 0.50 0.00 -0.85 6.45 4.64 -1.80 -3.37 113.55 119.12 1xoa h SER 11 Ca 0.14 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.58 1xoa h SER 11 Cb -0.04 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.91 1xoa h SER 11 CO -0.03 0.57 -0.34 0.33 -0.87 0.00 0.00 176.83 176.49 1xoa n PHE 12 N -3.31 0.00 0.19 4.77 -0.00 0.30 -0.77 117.46 118.65 1xoa n PHE 12 Ca 0.01 1.05 -0.17 0.00 -0.00 0.00 0.00 57.45 58.34 1xoa n PHE 12 Cb 0.73 -0.80 -0.10 0.00 -0.00 0.00 0.00 39.48 39.31 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 -1.50 -0.52 -2.13 3.58 -1.74 0.30 116.42 114.42 1xoa h ASP 13 Ca 0.29 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 1xoa h ASP 13 Cb 0.50 0.53 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 1xoa h ASP 13 CO -0.84 -0.60 0.31 0.71 -2.88 0.00 0.00 179.24 175.94 1xoa h THR 14 N -0.85 1.16 0.00 2.25 1.35 -1.65 0.96 112.91 116.13 1xoa h THR 14 Ca -0.03 -0.37 -0.13 0.00 -0.55 0.00 0.00 66.41 65.32 1xoa h THR 14 Cb 0.80 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1xoa h THR 14 CO -0.19 0.17 -0.62 0.44 -0.25 0.00 0.00 175.52 175.06 1xoa h ASP 15 N 0.69 0.00 0.00 5.36 5.19 -0.75 -3.34 116.42 123.57 1xoa h ASP 15 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1xoa h ASP 15 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1xoa h ASP 15 CO -0.03 0.62 -0.08 0.52 -3.12 0.00 0.00 179.24 177.15 1xoa n VAL 16 N -3.37 0.95 -0.10 -1.35 0.31 0.10 -4.41 118.33 110.46 1xoa n VAL 16 Ca 0.01 0.30 0.01 0.00 -0.01 0.00 0.00 64.34 64.65 1xoa n VAL 16 Cb 0.74 -1.52 0.31 0.00 -0.91 0.00 0.00 33.84 32.46 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 -0.08 0.67 -1.33 7.52 3.38 -0.88 -0.50 115.31 124.08 1xoa h LEU 17 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xoa h LEU 17 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xoa h LEU 17 CO 0.00 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.35 1xoa n LYS 18 N -4.41 1.87 -2.28 1.13 5.02 0.12 -4.01 118.16 115.61 1xoa n LYS 18 Ca 0.05 -1.31 -0.38 0.00 -2.02 0.00 0.00 58.31 54.64 1xoa n LYS 18 Cb 0.09 -1.39 -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 -1.68 2.38 -1.00 7.82 0.00 -0.20 -4.88 121.76 124.20 1xoa s ALA 19 Ca 0.32 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 1xoa s ALA 19 Cb 0.17 -4.34 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1xoa s ALA 19 CO 0.25 -3.75 2.04 -3.47 0.00 0.00 0.00 175.76 170.83 1xoa n ASP 20 N 11.29 3.11 0.00 0.00 2.03 -1.26 -3.38 116.55 128.34 1xoa n ASP 20 Ca 0.17 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1xoa n ASP 20 Cb 0.50 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 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 4.35 -0.58 3.46 0.27 0.00 -1.26 -4.95 105.19 106.48 1xoa n GLY 21 Ca 0.51 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 3.22 -0.06 4.61 0.00 -1.26 -0.55 121.76 126.72 1xoa s ALA 22 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1xoa s ALA 22 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1xoa s ALA 22 CO 0.00 -0.57 -0.11 0.42 0.00 0.00 0.00 175.76 175.50 1xoa s ILE 23 N 1.63 3.35 -0.34 0.00 -1.09 0.33 -0.12 121.20 124.96 1xoa s ILE 23 Ca 0.06 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1xoa s ILE 23 Cb -0.16 -2.35 0.10 0.00 -1.58 0.00 0.00 42.46 38.48 1xoa s ILE 23 CO 0.05 0.59 0.07 -0.22 -1.23 0.00 0.00 174.94 174.20 1xoa s LEU 24 N -0.69 4.12 -0.37 2.97 1.98 0.20 0.03 118.68 126.92 1xoa s LEU 24 Ca 0.10 -2.09 -0.20 0.00 -2.89 0.00 0.00 54.13 49.05 1xoa s LEU 24 Cb -0.11 -1.44 0.01 0.00 0.66 0.00 0.00 46.19 45.30 1xoa s LEU 24 CO 0.01 -0.38 0.64 -0.69 -1.89 0.00 0.00 176.35 174.04 1xoa s VAL 25 N 1.00 4.88 -0.48 1.68 1.01 0.24 -0.25 120.40 128.48 1xoa s VAL 25 Ca 0.11 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1xoa s VAL 25 Cb -0.19 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1xoa s VAL 25 CO -0.11 -0.35 0.70 -0.62 0.00 0.00 0.00 175.10 174.71 1xoa s ASP 26 N 1.82 6.29 -0.22 3.32 2.15 0.37 -0.75 116.67 129.66 1xoa s ASP 26 Ca 0.24 -0.55 -0.29 0.00 0.43 0.00 0.00 52.55 52.39 1xoa s ASP 26 Cb -0.14 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1xoa s ASP 26 CO 0.15 -0.91 1.05 -0.36 -0.17 0.00 0.00 175.17 174.94 1xoa s PHE 27 N 2.97 3.33 0.37 -5.34 0.40 0.09 -1.43 117.98 118.37 1xoa s PHE 27 Ca 0.21 1.45 0.06 0.00 -0.60 0.00 0.00 56.93 58.06 1xoa s PHE 27 Cb -0.16 -3.28 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1xoa s PHE 27 CO 0.17 -0.53 0.23 1.67 0.70 0.00 0.00 175.22 177.46 1xoa s TRP 28 N 3.13 1.78 0.04 0.36 1.48 0.08 -3.10 118.94 122.70 1xoa s TRP 28 Ca 0.45 -1.55 -0.16 0.00 -1.06 0.00 0.00 56.10 53.77 1xoa s TRP 28 Cb -0.16 -0.87 0.03 0.00 -1.16 0.00 0.00 33.47 31.31 1xoa s TRP 28 CO 0.07 -0.69 0.37 0.00 -4.06 0.00 0.00 176.95 172.64 1xoa s ALA 29 N -3.34 -0.88 0.58 2.67 0.00 -1.26 -0.62 121.76 118.92 1xoa s ALA 29 Ca 0.34 0.19 0.28 0.00 0.00 0.00 0.00 51.96 52.77 1xoa s ALA 29 Cb 0.02 0.33 1.59 0.00 0.00 0.00 0.00 23.12 25.06 1xoa s ALA 29 CO 0.23 -0.44 2.07 0.93 0.00 0.00 0.00 175.76 178.56 1xoa h GLU 30 N 3.11 0.00 -0.00 0.00 5.08 -1.98 0.60 114.58 121.38 1xoa h GLU 30 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xoa h GLU 30 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xoa h GLU 30 CO 0.44 0.00 -0.57 -2.67 -1.00 0.00 0.00 179.01 175.22 1xoa n TRP 31 N -3.89 0.00 -2.56 4.33 4.27 -1.26 -4.82 117.44 113.51 1xoa n TRP 31 Ca 0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 1xoa n TRP 31 Cb 0.38 -0.13 -0.01 0.00 -1.36 0.00 0.00 31.31 30.19 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 12.77 -0.70 0.56 0.00 0.00 -1.87 -0.26 103.07 113.57 1xoa h GLY 33 Ca 0.37 0.65 0.19 0.00 0.00 0.00 0.00 47.33 48.55 1xoa h GLY 33 CO 1.45 -0.11 0.52 -2.55 0.00 0.00 0.00 176.54 175.84 1xoa h PRO 34 N -0.25 0.20 -0.41 4.80 0.11 -1.97 0.05 132.00 134.54 1xoa h PRO 34 Ca 0.14 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1xoa h PRO 34 Cb 0.55 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1xoa h PRO 34 CO -0.70 0.13 0.05 0.00 -0.21 0.00 0.00 178.00 177.27 1xoa h LYS 36 N 0.53 0.99 -0.42 0.00 1.57 -0.67 0.28 116.57 118.86 1xoa h LYS 36 Ca 0.12 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1xoa h LYS 36 Cb 0.40 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1xoa h LYS 36 CO 0.01 0.83 0.10 1.98 -0.57 0.00 0.00 179.45 181.80 1xoa h MET 37 N 0.93 0.23 0.00 3.15 4.05 -0.60 -2.41 114.93 120.28 1xoa h MET 37 Ca 0.22 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.51 1xoa h MET 37 Cb 0.21 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1xoa h MET 37 CO -0.02 0.15 -0.57 -0.84 0.23 0.00 0.00 176.91 175.86 1xoa h ILE 38 N 0.24 1.10 -0.81 1.77 3.07 -0.82 -3.38 117.51 118.67 1xoa h ILE 38 Ca 0.20 -2.22 0.10 0.00 1.55 0.00 0.00 64.86 64.50 1xoa h ILE 38 Cb 0.24 2.31 -0.12 0.00 -0.27 0.00 0.00 36.82 38.98 1xoa h ILE 38 CO -0.25 0.56 -0.38 0.00 -1.05 0.00 0.00 178.15 177.02 1xoa n ALA 39 N -2.29 -0.28 -0.17 0.16 0.00 0.06 0.10 120.51 118.10 1xoa n ALA 39 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 53.44 54.27 1xoa n ALA 39 Cb 0.69 -0.25 0.37 0.00 0.00 0.00 0.00 19.45 20.26 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 0.69 -0.04 0.00 0.13 -1.75 0.15 132.00 131.18 1xoa h PRO 40 Ca 0.22 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1xoa h PRO 40 Cb 0.42 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1xoa h PRO 40 CO -0.78 0.46 0.01 0.82 -0.23 0.00 0.00 178.00 178.27 1xoa h ILE 41 N 0.71 1.19 -0.84 -3.56 2.04 -0.58 0.10 117.51 116.57 1xoa h ILE 41 Ca 0.31 -0.58 0.11 0.00 1.00 0.00 0.00 64.86 65.69 1xoa h ILE 41 Cb 0.29 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 1xoa h ILE 41 CO -0.10 0.16 0.48 -0.07 0.00 0.00 0.00 178.15 178.62 1xoa h LEU 42 N -0.16 0.67 0.14 1.44 3.38 0.25 0.13 115.31 121.15 1xoa h LEU 42 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xoa h LEU 42 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xoa h LEU 42 CO 0.00 0.36 -0.06 0.44 0.09 0.00 0.00 178.44 179.27 1xoa h ASP 43 N 0.77 -0.15 -0.50 -0.43 3.32 -0.44 0.17 116.42 119.16 1xoa h ASP 43 Ca 0.42 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.49 1xoa h ASP 43 Cb 0.43 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.95 1xoa h ASP 43 CO -0.27 -0.03 0.05 -0.08 -1.72 0.00 0.00 179.24 177.20 1xoa h GLU 44 N -0.27 0.17 -0.18 3.56 4.22 -0.11 0.10 114.58 122.07 1xoa h GLU 44 Ca -0.02 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.42 1xoa h GLU 44 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xoa h GLU 44 CO 0.03 0.11 0.09 0.82 -2.18 0.00 0.00 179.01 177.88 1xoa h ILE 45 N 0.18 0.99 -0.80 2.32 1.08 -0.55 0.93 117.51 121.66 1xoa h ILE 45 Ca 0.25 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.79 1xoa h ILE 45 Cb 0.36 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 1xoa h ILE 45 CO -0.37 0.03 0.39 0.00 -0.69 0.00 0.00 178.15 177.52 1xoa h ALA 46 N 1.09 1.17 0.55 1.87 0.00 0.55 0.17 119.26 124.65 1xoa h ALA 46 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xoa h ALA 46 Cb 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xoa h ALA 46 CO -0.05 -0.10 -0.26 0.22 0.00 0.00 0.00 179.25 179.06 1xoa h ASP 47 N 0.59 -0.62 -0.45 0.00 1.82 -0.48 -2.39 116.42 114.88 1xoa h ASP 47 Ca 0.43 0.02 0.08 0.00 -0.39 0.00 0.00 57.03 57.17 1xoa h ASP 47 Cb 0.58 0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.68 1xoa h ASP 47 CO -0.35 -0.30 0.03 -0.08 -1.61 0.00 0.00 179.24 176.93 1xoa h GLU 48 N -1.03 0.14 -0.50 0.28 4.22 -0.53 -1.50 114.58 115.65 1xoa h GLU 48 Ca -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1xoa h GLU 48 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xoa h GLU 48 CO 0.12 0.09 0.00 0.66 -2.18 0.00 0.00 179.01 177.71 1xoa n TYR 49 N -5.18 0.60 -1.62 0.92 4.02 0.56 -4.93 117.16 111.53 1xoa n TYR 49 Ca 0.04 -0.25 -0.48 0.00 -0.01 0.00 0.00 57.90 57.20 1xoa n TYR 49 Cb 0.23 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 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 1.93 0.00 -0.72 -0.06 -0.57 -0.31 117.38 118.04 1xoa n GLN 50 Ca 0.11 0.66 0.00 0.00 -2.00 0.00 0.00 57.00 55.77 1xoa n GLN 50 Cb 0.41 -2.71 0.00 0.00 -4.06 0.00 0.00 30.24 23.89 1xoa n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xoa n GLY 51 N 5.04 2.44 0.13 1.69 0.00 -1.26 -4.84 105.19 108.39 1xoa n GLY 51 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.43 0.64 -4.60 1.61 5.02 0.57 -4.99 118.16 116.00 1xoa n LYS 52 Ca 0.00 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 1xoa n LYS 52 Cb 0.00 -1.53 -0.15 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 -6.77 2.06 -0.53 -0.35 2.96 0.14 -4.39 118.68 111.79 1xoa s LEU 53 Ca -0.35 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.18 1xoa s LEU 53 Cb 0.10 -0.72 0.14 0.00 0.50 0.00 0.00 46.19 46.21 1xoa s LEU 53 CO 0.59 0.15 0.38 -0.89 -1.32 0.00 0.00 176.35 175.26 1xoa s THR 54 N -0.45 4.07 0.16 3.68 2.01 0.83 -4.37 115.64 121.57 1xoa s THR 54 Ca 0.05 -2.18 -0.30 0.00 0.31 0.00 0.00 61.69 59.57 1xoa s THR 54 Cb -0.06 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 1xoa s THR 54 CO -0.00 -0.81 0.99 -0.69 -0.69 0.00 0.00 174.62 173.42 1xoa s VAL 55 N 0.87 4.23 0.07 3.82 1.01 -1.26 -0.63 120.40 128.50 1xoa s VAL 55 Ca 0.10 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.05 1xoa s VAL 55 Cb -0.23 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1xoa s VAL 55 CO -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 175.10 175.38 1xoa s ALA 56 N -0.39 0.67 0.04 5.51 0.00 0.66 -1.24 121.76 127.01 1xoa s ALA 56 Ca 0.46 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1xoa s ALA 56 Cb -0.25 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1xoa s ALA 56 CO 0.32 -0.24 -0.12 0.15 0.00 0.00 0.00 175.76 175.87 1xoa s LYS 57 N -3.27 0.78 -0.04 0.00 1.02 0.54 -0.48 119.74 118.29 1xoa s LYS 57 Ca 0.04 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1xoa s LYS 57 Cb 0.02 -0.74 0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1xoa s LYS 57 CO -0.05 0.18 0.02 -1.17 -0.92 0.00 0.00 175.35 173.41 1xoa s LEU 58 N -1.19 0.72 -0.49 3.17 0.20 -0.51 -0.64 118.68 119.94 1xoa s LEU 58 Ca -0.01 0.01 -0.24 0.00 0.69 0.00 0.00 54.13 54.58 1xoa s LEU 58 Cb -0.08 -0.21 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 1xoa s LEU 58 CO 0.01 -0.17 0.87 0.21 -0.29 0.00 0.00 176.35 176.98 1xoa s ASN 59 N 1.56 6.41 0.54 3.68 2.47 -1.26 -0.74 114.94 127.61 1xoa s ASN 59 Ca -0.02 -0.15 0.30 0.00 0.42 0.00 0.00 52.86 53.41 1xoa s ASN 59 Cb -0.13 -2.42 1.52 0.00 -1.45 0.00 0.00 41.25 38.77 1xoa s ASN 59 CO -0.03 -1.05 2.08 0.16 -3.72 0.00 0.00 177.10 174.54 1xoa h ILE 60 N 6.02 0.43 -0.40 -5.21 3.07 -1.07 0.26 117.51 120.61 1xoa h ILE 60 Ca -0.25 -0.51 -0.01 0.00 1.55 0.00 0.00 64.86 65.64 1xoa h ILE 60 Cb 1.08 1.35 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 1xoa h ILE 60 CO 1.02 0.09 0.20 0.44 -1.05 0.00 0.00 178.15 178.86 1xoa h ASP 61 N 0.00 0.52 0.47 2.16 3.32 -1.92 -0.28 116.42 120.69 1xoa h ASP 61 Ca -0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.69 1xoa h ASP 61 Cb 0.35 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xoa h ASP 61 CO 0.01 0.49 -1.05 1.56 -1.72 0.00 0.00 179.24 178.53 1xoa h GLN 62 N 0.52 0.34 -2.17 3.56 4.20 -1.87 -3.39 115.11 116.29 1xoa h GLN 62 Ca 0.14 -0.43 -0.59 0.00 0.06 0.00 0.00 58.65 57.83 1xoa h GLN 62 Cb 0.10 0.14 -0.42 0.00 0.30 0.00 0.00 27.48 27.60 1xoa h GLN 62 CO -0.02 1.14 -0.67 0.09 -0.67 0.00 0.00 178.83 178.69 1xoa n ASN 63 N -3.66 3.30 0.31 1.46 3.02 0.05 -4.96 115.26 114.78 1xoa n ASN 63 Ca -0.07 -3.36 -0.17 0.00 -0.03 0.00 0.00 54.58 50.96 1xoa n ASN 63 Cb 0.91 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 39.33 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 4.04 -0.73 -1.00 3.52 0.13 -1.26 -3.23 132.00 133.48 1xoa h PRO 64 Ca 0.18 0.05 0.38 0.00 -0.87 0.00 0.00 66.00 65.73 1xoa h PRO 64 Cb 0.68 0.16 -0.17 0.00 0.13 0.00 0.00 31.00 31.81 1xoa h PRO 64 CO 0.78 -0.46 0.50 0.78 -0.23 0.00 0.00 178.00 179.37 1xoa h GLY 65 N -0.81 2.12 1.23 1.56 0.00 -1.93 0.42 103.07 105.67 1xoa h GLY 65 Ca -0.08 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.18 1xoa h GLY 65 CO 0.13 -0.70 0.35 -0.84 0.00 0.00 0.00 176.54 175.48 1xoa h THR 66 N 0.08 0.96 0.39 4.70 2.02 -1.95 -1.23 112.91 117.88 1xoa h THR 66 Ca 0.79 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.80 1xoa h THR 66 Cb 2.00 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1xoa h THR 66 CO -0.74 0.08 -0.19 0.00 0.37 0.00 0.00 175.52 175.04 1xoa h ALA 67 N 1.72 -0.91 -0.88 6.16 0.00 -1.08 -2.87 119.26 121.40 1xoa h ALA 67 Ca 0.23 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.24 1xoa h ALA 67 Cb 0.34 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 1xoa h ALA 67 CO -0.06 -0.87 0.37 -1.35 0.00 0.00 0.00 179.25 177.34 1xoa h PRO 68 N -0.63 0.38 -0.89 0.00 0.11 -1.67 0.08 132.00 129.38 1xoa h PRO 68 Ca -0.05 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.22 1xoa h PRO 68 Cb 0.40 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 31.31 1xoa h PRO 68 CO 0.09 0.25 0.43 0.87 -0.21 0.00 0.00 178.00 179.43 1xoa h LYS 69 N 0.39 0.50 -0.65 1.05 1.57 -1.18 0.93 116.57 119.18 1xoa h LYS 69 Ca 0.54 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 59.07 1xoa h LYS 69 Cb 1.01 -0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.08 1xoa h LYS 69 CO -0.52 0.33 0.23 0.66 -0.57 0.00 0.00 179.45 179.58 1xoa n TYR 70 N -4.96 2.12 -3.91 -1.35 4.01 -0.51 -4.96 117.16 107.61 1xoa n TYR 70 Ca 0.20 -1.31 -0.27 0.00 -0.16 0.00 0.00 57.90 56.36 1xoa n TYR 70 Cb 0.57 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.50 -0.33 3.45 2.72 0.00 0.32 -4.94 105.19 105.91 1xoa n GLY 71 Ca 0.40 0.15 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.63 4.89 0.13 -0.61 1.01 -0.10 -4.92 121.20 117.95 1xoa s ILE 72 Ca 0.26 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1xoa s ILE 72 Cb -0.13 -4.28 -0.20 0.00 0.01 0.00 0.00 42.46 37.85 1xoa s ILE 72 CO 0.86 -0.77 1.29 0.03 0.00 0.00 0.00 174.94 176.35 1xoa h ARG 73 N 8.97 0.00 0.00 2.79 -0.00 -1.92 -3.38 114.38 120.84 1xoa h ARG 73 Ca -0.27 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 58.99 1xoa h ARG 73 Cb 1.10 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.02 1xoa h ARG 73 CO 0.95 0.99 -0.06 0.41 0.00 0.00 0.00 179.97 182.26 1xoa n GLY 74 N 1.31 1.92 3.13 0.04 0.00 -1.26 -5.14 105.19 105.20 1xoa n GLY 74 Ca -0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1xoa n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xoa s ILE 75 N -2.67 0.18 0.36 -0.61 -4.36 -1.26 -4.45 121.20 108.39 1xoa s ILE 75 Ca 0.25 -1.48 -0.27 0.00 -0.26 0.00 0.00 60.65 58.88 1xoa s ILE 75 Cb -0.02 -1.37 -0.09 0.00 1.25 0.00 0.00 42.46 42.23 1xoa s ILE 75 CO 0.18 -0.82 1.28 -2.16 0.24 0.00 0.00 174.94 173.66 1xoa s PRO 76 N -3.72 4.21 -0.04 0.37 0.04 -1.26 -4.86 135.00 129.73 1xoa s PRO 76 Ca 0.05 2.12 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 1xoa s PRO 76 Cb 0.06 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1xoa s PRO 76 CO -0.10 -0.28 0.08 0.99 0.04 0.00 0.00 177.00 177.73 1xoa s THR 77 N -1.22 -0.10 -0.37 1.26 2.01 -1.18 -0.14 115.64 115.90 1xoa s THR 77 Ca 0.52 0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.74 1xoa s THR 77 Cb -0.38 -0.16 0.06 0.00 0.01 0.00 0.00 72.50 72.04 1xoa s THR 77 CO 0.49 0.12 0.17 -0.76 -0.69 0.00 0.00 174.62 173.96 1xoa s LEU 78 N 1.58 4.71 -0.33 4.42 1.43 0.37 -0.73 118.68 130.14 1xoa s LEU 78 Ca -0.03 -1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 1xoa s LEU 78 Cb -0.12 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1xoa s LEU 78 CO -0.04 -0.42 0.41 -0.76 0.23 0.00 0.00 176.35 175.77 1xoa s LEU 79 N 1.40 4.33 -0.61 1.79 1.02 0.07 -0.67 118.68 126.01 1xoa s LEU 79 Ca 0.01 -0.06 -0.20 0.00 0.02 0.00 0.00 54.13 53.90 1xoa s LEU 79 Cb -0.21 -2.43 0.10 0.00 0.02 0.00 0.00 46.19 43.67 1xoa s LEU 79 CO 0.02 -0.35 0.76 -0.22 0.02 0.00 0.00 176.35 176.58 1xoa s LEU 80 N 2.14 5.21 -0.39 1.79 2.96 0.13 -0.59 118.68 129.93 1xoa s LEU 80 Ca 0.14 -1.36 -0.19 0.00 -0.22 0.00 0.00 54.13 52.50 1xoa s LEU 80 Cb -0.16 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.22 1xoa s LEU 80 CO 0.12 -1.18 0.57 -0.36 -1.32 0.00 0.00 176.35 174.18 1xoa s PHE 81 N 2.93 3.13 -0.29 5.38 0.40 0.10 -0.16 117.98 129.47 1xoa s PHE 81 Ca 0.14 0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.40 1xoa s PHE 81 Cb -0.23 -3.12 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 1xoa s PHE 81 CO 0.07 -0.70 0.16 0.15 0.70 0.00 0.00 175.22 175.60 1xoa s LYS 82 N 2.58 3.67 -1.46 0.44 1.02 0.54 -0.51 119.74 126.00 1xoa s LYS 82 Ca 0.20 -0.50 -0.09 0.00 0.02 0.00 0.00 55.97 55.60 1xoa s LYS 82 Cb -0.15 -3.59 0.06 0.00 -0.52 0.00 0.00 37.83 33.62 1xoa s LYS 82 CO 0.16 -0.28 0.88 -1.71 -0.92 0.00 0.00 175.35 173.48 1xoa n ASN 83 N 5.02 -3.58 0.00 2.83 5.15 0.29 -0.72 115.26 124.25 1xoa n ASN 83 Ca -0.14 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 1xoa n ASN 83 Cb 0.51 -3.91 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 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 -1.67 0.71 3.60 8.20 0.00 -1.22 -4.92 105.19 109.89 1xoa n GLY 84 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.37 3.94 -0.38 1.61 2.02 0.10 -4.72 118.70 120.90 1xoa s GLU 85 Ca 0.00 -0.34 -0.27 0.00 0.02 0.00 0.00 54.97 54.38 1xoa s GLU 85 Cb 0.00 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 1xoa s GLU 85 CO 0.00 0.06 2.26 0.08 0.02 0.00 0.00 175.26 177.67 1xoa s VAL 86 N 1.02 3.06 -0.03 2.63 1.01 -1.26 -0.34 120.40 126.49 1xoa s VAL 86 Ca 0.06 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 1xoa s VAL 86 Cb -0.14 -3.12 -0.33 0.00 0.00 0.00 0.00 36.38 32.80 1xoa s VAL 86 CO 0.04 -0.10 0.92 0.00 0.00 0.00 0.00 175.10 175.96 1xoa h ALA 87 N 17.07 -0.11 -2.61 5.51 0.00 -0.89 -3.48 119.26 134.75 1xoa h ALA 87 Ca -0.31 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 1xoa h ALA 87 Cb 1.24 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 1xoa h ALA 87 CO 1.08 0.46 0.01 0.00 0.00 0.00 0.00 179.25 180.80 1xoa s ALA 88 N -2.48 -1.22 -0.18 0.00 0.00 -1.19 -5.03 121.76 111.67 1xoa s ALA 88 Ca -0.12 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1xoa s ALA 88 Cb 0.02 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.69 1xoa s ALA 88 CO 0.86 -0.56 -0.00 0.95 0.00 0.00 0.00 175.76 177.02 1xoa s THR 89 N -2.89 0.79 -0.40 0.00 -4.23 -1.26 -0.69 115.64 106.96 1xoa s THR 89 Ca -0.03 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 1xoa s THR 89 Cb -0.00 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1xoa s THR 89 CO -0.05 -0.06 0.34 -0.75 -0.54 0.00 0.00 174.62 173.56 1xoa s LYS 90 N 1.75 3.10 -0.08 3.99 2.36 0.15 -4.93 119.74 126.09 1xoa s LYS 90 Ca -0.01 -0.86 -0.19 0.00 -2.55 0.00 0.00 55.97 52.36 1xoa s LYS 90 Cb -0.16 -3.95 -0.05 0.00 -1.05 0.00 0.00 37.83 32.62 1xoa s LYS 90 CO -0.07 -0.74 0.53 0.08 1.55 0.00 0.00 175.35 176.69 1xoa s VAL 91 N 1.86 5.09 0.00 4.02 1.01 -1.26 -0.48 120.40 130.64 1xoa s VAL 91 Ca 0.08 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1xoa s VAL 91 Cb -0.18 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1xoa s VAL 91 CO 0.11 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1xoa n GLY 92 N 2.94 -0.60 3.68 4.51 0.00 0.80 -5.00 105.19 111.52 1xoa n GLY 92 Ca -0.07 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.73 0.98 0.11 4.61 0.00 -1.26 -4.79 121.76 118.67 1xoa s ALA 93 Ca 0.00 -0.41 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 1xoa s ALA 93 Cb 0.00 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1xoa s ALA 93 CO 0.00 -2.84 0.82 -0.48 0.00 0.00 0.00 175.76 173.26 1xoa s LEU 94 N -6.44 -0.35 0.78 0.00 2.34 -1.26 -5.14 118.68 108.61 1xoa s LEU 94 Ca 0.65 -0.18 -0.11 0.00 0.06 0.00 0.00 54.13 54.56 1xoa s LEU 94 Cb -0.18 2.27 0.06 0.00 -0.56 0.00 0.00 46.19 47.78 1xoa s LEU 94 CO 0.57 -0.86 1.09 -0.94 -1.06 0.00 0.00 176.35 175.15 1xoa s SER 95 N -2.71 4.59 0.21 1.48 1.04 -1.26 -4.82 113.70 112.22 1xoa s SER 95 Ca 0.07 1.46 -0.09 0.00 0.48 0.00 0.00 55.95 57.87 1xoa s SER 95 Cb -0.02 -2.22 0.27 0.00 0.10 0.00 0.00 66.02 64.15 1xoa s SER 95 CO -0.05 -1.93 1.78 0.50 0.98 0.00 0.00 173.24 174.52 1xoa h LYS 96 N -1.06 0.55 0.27 4.02 3.64 -2.00 0.66 116.57 122.66 1xoa h LYS 96 Ca -0.46 -0.03 0.00 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 0.57 0.36 -0.25 0.78 -2.27 0.00 0.00 179.45 178.65 1xoa h GLY 97 N 0.57 -0.56 0.67 5.01 0.00 -1.99 0.11 103.07 106.87 1xoa h GLY 97 Ca 0.31 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.98 1xoa h GLY 97 CO -0.24 -0.23 0.34 1.46 0.00 0.00 0.00 176.54 177.87 1xoa h GLN 98 N -0.54 0.61 0.38 4.80 4.20 -1.82 0.27 115.11 123.01 1xoa h GLN 98 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1xoa h GLN 98 Cb 0.49 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1xoa h GLN 98 CO -0.04 0.41 -0.19 1.25 -0.67 0.00 0.00 178.83 179.58 1xoa h LEU 99 N 0.63 -0.46 -0.54 1.46 5.85 -0.52 0.93 115.31 122.66 1xoa h LEU 99 Ca 0.29 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1xoa h LEU 99 Cb 0.19 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1xoa h LEU 99 CO -0.19 -0.32 0.20 0.11 -0.34 0.00 0.00 178.44 177.90 1xoa h LYS 100 N -0.53 0.37 0.17 1.25 1.57 -0.47 0.74 116.57 119.67 1xoa h LYS 100 Ca -0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xoa h LYS 100 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1xoa h LYS 100 CO 0.08 0.24 -0.21 1.49 -0.57 0.00 0.00 179.45 180.48 1xoa h GLU 101 N 0.38 -0.42 -0.04 3.15 4.81 -0.71 0.11 114.58 121.86 1xoa h GLU 101 Ca 0.26 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1xoa h GLU 101 Cb 0.29 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1xoa h GLU 101 CO -0.26 -0.28 -0.21 0.35 -0.73 0.00 0.00 179.01 177.88 1xoa h PHE 102 N -0.43 -0.54 -0.08 0.92 3.57 -0.30 0.92 116.94 120.98 1xoa h PHE 102 Ca 0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1xoa h PHE 102 Cb 0.42 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1xoa h PHE 102 CO -0.17 -0.29 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.49 1xoa h LEU 103 N -0.31 -0.20 -0.10 0.59 3.38 -0.70 -0.16 115.31 117.81 1xoa h LEU 103 Ca 0.07 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1xoa h LEU 103 Cb 0.41 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1xoa h LEU 103 CO -0.22 -0.09 -0.14 -0.78 0.09 0.00 0.00 178.44 177.31 1xoa h ASP 104 N -0.07 -0.42 -0.88 -0.43 3.58 -0.49 0.15 116.42 117.86 1xoa h ASP 104 Ca 0.06 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.68 1xoa h ASP 104 Cb 0.16 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.34 1xoa h ASP 104 CO -0.13 -0.18 0.57 0.00 -2.88 0.00 0.00 179.24 176.61 1xoa h ALA 105 N 0.86 1.67 0.04 -0.78 0.00 -0.45 0.12 119.26 120.71 1xoa h ALA 105 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xoa h ALA 105 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xoa h ALA 105 CO -0.21 0.15 -0.39 -0.91 0.00 0.00 0.00 179.25 177.89 1xoa h ASN 106 N 0.85 0.28 -0.57 0.00 2.35 -0.36 -3.30 115.58 114.83 1xoa h ASN 106 Ca 0.41 -0.87 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1xoa h ASN 106 Cb 0.43 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1xoa h ASN 106 CO -0.17 1.12 0.35 -0.07 -1.65 0.00 0.00 177.43 177.01 1xoa h LEU 107 N -0.53 0.57 0.00 1.61 3.38 -0.46 -3.51 115.31 116.37 1xoa h LEU 107 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xoa h LEU 107 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xoa h LEU 107 CO 0.08 0.40 0.00 0.00 0.09 0.00 0.00 178.44 179.00