#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 4.92 -0.40 6.43 -1.08 -1.26 -4.44 116.67 120.84 1xoa s ASP 2 Ca 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 52.55 52.54 1xoa s ASP 2 Cb 0.00 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.40 1xoa s ASP 2 CO 0.00 -2.65 1.47 0.29 0.52 0.00 0.00 175.17 174.80 1xoa n LYS 3 N 9.09 3.09 -3.75 4.34 5.02 -1.26 -5.04 118.16 129.65 1xoa n LYS 3 Ca 0.29 -3.78 -0.36 0.00 -2.02 0.00 0.00 58.31 52.44 1xoa n LYS 3 Cb 0.52 -2.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 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 -4.48 5.32 -0.32 -0.18 1.01 -1.26 -4.65 121.20 116.64 1xoa s ILE 4 Ca 0.54 0.30 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 1xoa s ILE 4 Cb 0.44 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1xoa s ILE 4 CO 0.02 0.48 0.57 -0.63 0.00 0.00 0.00 174.94 175.38 1xoa s ILE 5 N -1.18 4.98 -0.66 2.92 -1.09 -0.35 -4.87 121.20 120.95 1xoa s ILE 5 Ca 0.23 0.65 -0.26 0.00 -2.23 0.00 0.00 60.65 59.05 1xoa s ILE 5 Cb -0.13 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1xoa s ILE 5 CO 0.12 -0.15 1.13 -1.00 -1.23 0.00 0.00 174.94 173.81 1xoa s HIS 6 N 2.50 2.52 0.65 3.97 3.76 -1.26 -0.41 115.29 127.03 1xoa s HIS 6 Ca 0.22 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.94 1xoa s HIS 6 Cb -0.15 -4.43 0.01 0.00 1.11 0.00 0.00 32.58 29.12 1xoa s HIS 6 CO 0.12 -1.77 1.00 -0.51 -0.85 0.00 0.00 174.74 172.73 1xoa s LEU 7 N 4.87 3.06 0.15 0.89 1.43 0.17 -4.98 118.68 124.27 1xoa s LEU 7 Ca 0.32 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 1xoa s LEU 7 Cb -0.11 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1xoa s LEU 7 CO 0.16 -1.21 -0.08 0.42 0.23 0.00 0.00 176.35 175.87 1xoa s THR 8 N -3.18 1.05 0.21 5.49 -4.23 -1.26 -4.46 115.64 109.26 1xoa s THR 8 Ca 0.56 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1xoa s THR 8 Cb -0.11 -1.87 0.15 0.00 1.34 0.00 0.00 72.50 72.02 1xoa s THR 8 CO 0.48 -0.72 1.79 -0.78 -0.54 0.00 0.00 174.62 174.85 1xoa h ASP 9 N 2.79 0.48 -0.20 3.99 3.58 -1.93 0.14 116.42 125.27 1xoa h ASP 9 Ca -0.36 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1xoa h ASP 9 Cb 1.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1xoa h ASP 9 CO 0.64 0.30 0.13 0.44 -2.88 0.00 0.00 179.24 177.86 1xoa h ASP 10 N 0.62 0.23 1.70 2.28 5.19 -2.01 -3.00 116.42 121.43 1xoa h ASP 10 Ca 0.32 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1xoa h ASP 10 Cb 0.27 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1xoa h ASP 10 CO -0.22 0.18 -0.17 0.77 -3.12 0.00 0.00 179.24 176.68 1xoa h SER 11 N 0.27 0.00 -0.90 6.45 4.64 -1.84 -3.37 113.55 118.80 1xoa h SER 11 Ca 0.07 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.55 1xoa h SER 11 Cb -0.02 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.91 1xoa h SER 11 CO -0.02 0.17 -0.28 0.33 -0.87 0.00 0.00 176.83 176.16 1xoa n PHE 12 N -3.16 0.19 0.12 4.77 7.35 0.46 -0.71 117.46 126.48 1xoa n PHE 12 Ca 0.03 1.10 -0.14 0.00 -0.76 0.00 0.00 57.45 57.68 1xoa n PHE 12 Cb 0.57 -0.94 -0.08 0.00 0.35 0.00 0.00 39.48 39.38 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 -1.34 -0.30 -2.13 3.58 -1.75 0.29 116.42 114.77 1xoa h ASP 13 Ca 0.38 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.96 1xoa h ASP 13 Cb 0.60 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1xoa h ASP 13 CO -0.91 -0.49 0.18 0.74 -2.88 0.00 0.00 179.24 175.88 1xoa h THR 14 N -0.68 1.11 -0.08 2.25 2.02 -1.62 0.78 112.91 116.69 1xoa h THR 14 Ca -0.01 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 1xoa h THR 14 Cb 0.66 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1xoa h THR 14 CO -0.22 0.11 -0.47 0.44 0.37 0.00 0.00 175.52 175.74 1xoa h ASP 15 N 0.38 0.22 0.00 4.18 3.32 -0.72 -3.29 116.42 120.52 1xoa h ASP 15 Ca 0.11 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xoa h ASP 15 Cb 0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xoa h ASP 15 CO -0.02 0.67 -0.11 0.52 -1.72 0.00 0.00 179.24 178.57 1xoa n VAL 16 N -3.97 0.68 -0.22 -1.35 0.31 0.10 -4.33 118.33 109.54 1xoa n VAL 16 Ca -0.02 0.24 0.02 0.00 -0.01 0.00 0.00 64.34 64.57 1xoa n VAL 16 Cb 0.52 -1.45 0.26 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 -0.11 0.84 -3.13 7.52 3.38 -0.96 -1.35 115.31 121.49 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 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xoa h LEU 17 CO 0.00 0.59 0.00 0.29 0.09 0.00 0.00 178.44 179.41 1xoa n LYS 18 N -4.44 3.78 -2.00 1.13 5.02 0.07 -3.95 118.16 117.79 1xoa n LYS 18 Ca 0.09 -2.91 -0.42 0.00 -2.02 0.00 0.00 58.31 53.05 1xoa n LYS 18 Cb 0.08 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 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 -1.86 3.62 -0.97 7.82 0.00 -0.51 -4.88 121.76 124.99 1xoa s ALA 19 Ca 0.52 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 1xoa s ALA 19 Cb 0.34 -3.73 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1xoa s ALA 19 CO 0.25 -1.34 3.02 -0.40 0.00 0.00 0.00 175.76 177.30 1xoa n ASP 20 N 6.84 6.96 0.00 0.00 5.75 -1.26 -4.23 116.55 130.61 1xoa n ASP 20 Ca 0.17 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1xoa n ASP 20 Cb 0.42 -1.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.09 1xoa n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xoa n GLY 21 N 3.23 -0.68 3.72 6.12 0.00 -1.26 -5.04 105.19 111.28 1xoa n GLY 21 Ca 0.61 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 3.50 -0.05 4.61 0.00 -1.26 -0.47 121.76 127.08 1xoa s ALA 22 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1xoa s ALA 22 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1xoa s ALA 22 CO 0.00 0.02 -0.19 0.42 0.00 0.00 0.00 175.76 176.00 1xoa s ILE 23 N 0.60 2.61 -0.34 0.00 -1.09 0.25 -0.17 121.20 123.06 1xoa s ILE 23 Ca 0.24 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1xoa s ILE 23 Cb -0.15 -1.99 0.09 0.00 -1.58 0.00 0.00 42.46 38.84 1xoa s ILE 23 CO 0.09 0.58 0.05 -0.22 -1.23 0.00 0.00 174.94 174.21 1xoa s LEU 24 N -0.50 4.59 -0.39 2.97 2.96 0.12 -0.01 118.68 128.42 1xoa s LEU 24 Ca 0.06 -1.93 -0.22 0.00 -0.22 0.00 0.00 54.13 51.82 1xoa s LEU 24 Cb -0.11 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1xoa s LEU 24 CO 0.01 -0.37 0.73 -0.69 -1.32 0.00 0.00 176.35 174.71 1xoa s VAL 25 N 1.01 4.77 -0.49 1.68 1.01 0.36 -0.28 120.40 128.46 1xoa s VAL 25 Ca 0.06 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 1xoa s VAL 25 Cb -0.20 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1xoa s VAL 25 CO -0.06 -0.47 0.60 -0.62 0.00 0.00 0.00 175.10 174.54 1xoa s ASP 26 N 1.90 6.23 -0.14 3.32 2.15 0.46 -0.93 116.67 129.66 1xoa s ASP 26 Ca 0.28 -0.85 -0.29 0.00 0.43 0.00 0.00 52.55 52.12 1xoa s ASP 26 Cb -0.13 -2.28 -0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1xoa s ASP 26 CO 0.18 -0.84 1.01 -0.36 -0.17 0.00 0.00 175.17 174.99 1xoa s PHE 27 N 2.55 3.46 0.33 -5.34 0.40 0.13 -0.96 117.98 118.55 1xoa s PHE 27 Ca 0.15 1.55 0.05 0.00 -0.60 0.00 0.00 56.93 58.08 1xoa s PHE 27 Cb -0.19 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1xoa s PHE 27 CO 0.13 -0.29 0.23 1.67 0.70 0.00 0.00 175.22 177.65 1xoa s TRP 28 N 2.33 1.68 0.00 0.36 1.48 0.08 -3.13 118.94 121.74 1xoa s TRP 28 Ca 0.47 -1.55 -0.12 0.00 -1.06 0.00 0.00 56.10 53.84 1xoa s TRP 28 Cb -0.17 -0.78 0.01 0.00 -1.16 0.00 0.00 33.47 31.37 1xoa s TRP 28 CO 0.15 -0.73 0.24 0.00 -4.06 0.00 0.00 176.95 172.55 1xoa s ALA 29 N -3.51 -0.57 0.36 2.67 0.00 -1.26 -0.72 121.76 118.74 1xoa s ALA 29 Ca 0.37 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1xoa s ALA 29 Cb 0.03 0.14 0.81 0.00 0.00 0.00 0.00 23.12 24.10 1xoa s ALA 29 CO 0.23 -0.27 1.89 0.93 0.00 0.00 0.00 175.76 178.53 1xoa h GLU 30 N 3.87 0.68 -0.01 0.00 3.07 -1.99 0.39 114.58 120.59 1xoa h GLU 30 Ca -0.31 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1xoa h GLU 30 Cb 1.19 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1xoa h GLU 30 CO 0.42 0.45 -0.06 -2.67 -1.40 0.00 0.00 179.01 175.74 1xoa n TRP 31 N -4.54 0.00 -2.56 4.33 4.27 -1.26 -4.71 117.44 112.97 1xoa n TRP 31 Ca 0.16 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.35 1xoa n TRP 31 Cb 0.43 -0.09 -0.00 0.00 -1.36 0.00 0.00 31.31 30.28 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 12.79 -0.59 0.48 0.00 0.00 -1.85 0.82 103.07 114.73 1xoa h GLY 33 Ca 0.43 0.66 0.18 0.00 0.00 0.00 0.00 47.33 48.60 1xoa h GLY 33 CO 1.45 -0.09 0.55 -2.55 0.00 0.00 0.00 176.54 175.90 1xoa h PRO 34 N -0.14 0.39 -0.26 4.80 0.11 -1.95 0.82 132.00 135.77 1xoa h PRO 34 Ca 0.18 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xoa h PRO 34 Cb 0.52 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1xoa h PRO 34 CO -0.81 0.26 0.08 0.00 -0.21 0.00 0.00 178.00 177.32 1xoa h LYS 36 N 0.26 1.04 -0.68 0.00 6.56 -0.46 0.86 116.57 124.14 1xoa h LYS 36 Ca 0.08 -0.11 0.05 0.00 -1.06 0.00 0.00 60.65 59.61 1xoa h LYS 36 Cb 0.24 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 31.64 1xoa h LYS 36 CO -0.00 0.76 0.40 0.52 -2.06 0.00 0.00 179.45 179.07 1xoa h MET 37 N 1.03 0.72 0.00 3.15 2.86 -0.40 -2.52 114.93 119.77 1xoa h MET 37 Ca 0.27 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 1xoa h MET 37 Cb 0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1xoa h MET 37 CO -0.04 0.48 -0.59 -0.84 1.06 0.00 0.00 176.91 176.98 1xoa h ILE 38 N 0.74 1.05 -0.96 -1.22 3.07 -0.71 -3.39 117.51 116.10 1xoa h ILE 38 Ca 0.29 -2.36 0.14 0.00 1.55 0.00 0.00 64.86 64.48 1xoa h ILE 38 Cb 0.13 2.44 -0.15 0.00 -0.27 0.00 0.00 36.82 38.97 1xoa h ILE 38 CO -0.16 0.57 -0.41 0.00 -1.05 0.00 0.00 178.15 177.11 1xoa n ALA 39 N -2.26 -0.20 -0.29 0.16 0.00 0.26 -0.12 120.51 118.05 1xoa n ALA 39 Ca 0.01 0.93 0.10 0.00 0.00 0.00 0.00 53.44 54.49 1xoa n ALA 39 Cb 0.74 -0.38 0.26 0.00 0.00 0.00 0.00 19.45 20.08 1xoa n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xoa h PRO 40 N 0.00 0.43 -0.02 0.00 0.11 -1.75 0.16 132.00 130.92 1xoa h PRO 40 Ca 0.30 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 1xoa h PRO 40 Cb 0.54 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1xoa h PRO 40 CO -0.94 0.28 0.01 0.82 -0.21 0.00 0.00 178.00 177.96 1xoa h ILE 41 N 0.44 1.08 -0.69 4.15 2.04 -0.78 -0.52 117.51 123.22 1xoa h ILE 41 Ca 0.51 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 66.22 1xoa h ILE 41 Cb 0.89 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1xoa h ILE 41 CO -0.48 0.06 0.36 -0.07 0.00 0.00 0.00 178.15 178.02 1xoa h LEU 42 N -0.07 0.50 0.66 1.44 3.38 -0.14 0.78 115.31 121.86 1xoa h LEU 42 Ca 0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xoa h LEU 42 Cb 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xoa h LEU 42 CO -0.00 0.31 -0.39 0.44 0.09 0.00 0.00 178.44 178.89 1xoa h ASP 43 N 0.64 -0.96 -0.70 -0.43 3.32 -0.29 0.12 116.42 118.12 1xoa h ASP 43 Ca 0.32 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.43 1xoa h ASP 43 Cb 0.27 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1xoa h ASP 43 CO -0.22 -0.61 0.46 1.05 -1.72 0.00 0.00 179.24 178.20 1xoa h GLU 44 N -0.98 0.91 -0.66 3.56 4.11 -0.87 -2.03 114.58 118.62 1xoa h GLU 44 Ca -0.08 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.38 1xoa h GLU 44 Cb 0.78 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1xoa h GLU 44 CO 0.10 0.60 0.31 0.82 0.07 0.00 0.00 179.01 180.91 1xoa h ILE 45 N 0.94 0.83 -0.73 -1.06 1.08 -0.63 0.13 117.51 118.07 1xoa h ILE 45 Ca 0.26 -0.18 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 1xoa h ILE 45 Cb -0.09 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 1xoa h ILE 45 CO -0.07 0.10 0.48 0.00 -0.69 0.00 0.00 178.15 177.97 1xoa h ALA 46 N 1.41 1.93 0.04 1.87 0.00 -0.02 0.12 119.26 124.61 1xoa h ALA 46 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xoa h ALA 46 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xoa h ALA 46 CO -0.27 -0.09 -0.02 0.22 0.00 0.00 0.00 179.25 179.08 1xoa h ASP 47 N 0.56 -0.05 -0.70 0.00 3.58 -0.71 -2.59 116.42 116.52 1xoa h ASP 47 Ca 0.34 -0.62 0.13 0.00 0.42 0.00 0.00 57.03 57.30 1xoa h ASP 47 Cb 0.58 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 1xoa h ASP 47 CO -0.12 0.69 0.25 -0.33 -2.88 0.00 0.00 179.24 176.85 1xoa h GLU 48 N -0.88 0.39 -0.80 0.28 5.08 -0.35 -0.74 114.58 117.56 1xoa h GLU 48 Ca -0.01 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1xoa h GLU 48 Cb 0.67 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.70 1xoa h GLU 48 CO 0.01 0.26 0.28 0.66 -1.00 0.00 0.00 179.01 179.22 1xoa n TYR 49 N -5.03 2.32 -1.66 4.33 4.02 0.36 -5.00 117.16 116.51 1xoa n TYR 49 Ca 0.12 -1.16 -0.47 0.00 -0.01 0.00 0.00 57.90 56.38 1xoa n TYR 49 Cb 0.37 -0.67 -0.05 0.00 -0.02 0.00 0.00 39.34 38.97 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 -0.17 1.97 0.00 -0.72 10.64 -0.29 -0.51 117.38 128.30 1xoa n GLN 50 Ca 0.39 0.71 0.00 0.00 -1.83 0.00 0.00 57.00 56.27 1xoa n GLN 50 Cb 1.33 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 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 3.28 2.97 0.13 2.61 0.00 -1.26 -4.73 105.19 108.18 1xoa n GLY 51 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 0.62 -4.59 1.61 5.02 0.34 -4.96 118.16 114.20 1xoa n LYS 52 Ca 0.00 0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 1xoa n LYS 52 Cb 0.00 -1.52 -0.17 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 -7.02 1.68 -0.70 -0.35 2.96 0.17 -4.31 118.68 111.10 1xoa s LEU 53 Ca -0.36 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.02 1xoa s LEU 53 Cb 0.12 -0.94 0.13 0.00 0.50 0.00 0.00 46.19 46.00 1xoa s LEU 53 CO 0.56 0.03 0.79 -0.89 -1.32 0.00 0.00 176.35 175.52 1xoa s THR 54 N 0.75 4.97 0.16 3.68 2.01 0.76 -4.59 115.64 123.39 1xoa s THR 54 Ca -0.12 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 1xoa s THR 54 Cb -0.16 -4.54 -0.07 0.00 0.01 0.00 0.00 72.50 67.74 1xoa s THR 54 CO 0.03 -1.18 1.01 -0.69 -0.69 0.00 0.00 174.62 173.10 1xoa s VAL 55 N 2.14 4.17 0.05 3.82 1.01 -1.26 -0.70 120.40 129.62 1xoa s VAL 55 Ca 0.17 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.06 1xoa s VAL 55 Cb -0.18 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1xoa s VAL 55 CO -0.00 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 1xoa s ALA 56 N -0.32 0.62 -0.02 5.51 0.00 0.62 -1.21 121.76 126.96 1xoa s ALA 56 Ca 0.47 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1xoa s ALA 56 Cb -0.26 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1xoa s ALA 56 CO 0.32 -0.02 -0.20 0.15 0.00 0.00 0.00 175.76 176.02 1xoa s LYS 57 N -1.66 1.72 -0.10 0.00 1.02 0.46 -0.40 119.74 120.78 1xoa s LYS 57 Ca -0.09 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1xoa s LYS 57 Cb -0.10 -1.60 0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1xoa s LYS 57 CO 0.00 0.39 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.59 1xoa s LEU 58 N -0.34 1.05 -0.45 3.17 0.20 -0.13 -0.66 118.68 121.53 1xoa s LEU 58 Ca 0.04 -0.25 -0.26 0.00 0.69 0.00 0.00 54.13 54.36 1xoa s LEU 58 Cb -0.09 -0.74 0.03 0.00 -0.43 0.00 0.00 46.19 44.96 1xoa s LEU 58 CO 0.00 -0.13 0.94 0.21 -0.29 0.00 0.00 176.35 177.08 1xoa s ASN 59 N 1.74 6.54 0.27 3.68 3.84 -1.26 -0.74 114.94 129.00 1xoa s ASN 59 Ca 0.04 0.22 -0.01 0.00 0.21 0.00 0.00 52.86 53.33 1xoa s ASN 59 Cb -0.13 -2.46 0.37 0.00 -0.55 0.00 0.00 41.25 38.48 1xoa s ASN 59 CO -0.07 -1.04 1.78 0.16 -2.79 0.00 0.00 177.10 175.14 1xoa h ILE 60 N 6.05 1.24 -0.33 -5.21 -0.00 -1.16 -0.68 117.51 117.42 1xoa h ILE 60 Ca -0.24 -0.96 0.00 0.00 -0.00 0.00 0.00 64.86 63.66 1xoa h ILE 60 Cb 1.07 0.86 -0.02 0.00 -0.00 0.00 0.00 36.82 38.74 1xoa h ILE 60 CO 1.03 0.34 0.21 0.44 -0.00 0.00 0.00 178.15 180.17 1xoa h ASP 61 N 0.72 0.39 0.56 2.16 5.19 -1.92 -1.01 116.42 122.50 1xoa h ASP 61 Ca 0.14 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.40 1xoa h ASP 61 Cb 0.42 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1xoa h ASP 61 CO 0.02 0.30 -0.57 1.56 -3.12 0.00 0.00 179.24 177.43 1xoa h GLN 62 N 0.44 0.00 -2.28 3.56 4.20 -1.92 -3.36 115.11 115.76 1xoa h GLN 62 Ca 0.12 -0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.24 1xoa h GLN 62 Cb -0.02 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.35 1xoa h GLN 62 CO -0.02 0.57 -0.78 0.09 -0.67 0.00 0.00 178.83 178.01 1xoa n ASN 63 N -3.87 2.18 0.17 1.46 3.02 -0.27 -4.97 115.26 112.98 1xoa n ASN 63 Ca -0.01 -3.09 -0.16 0.00 -0.03 0.00 0.00 54.58 51.29 1xoa n ASN 63 Cb 0.57 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 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 4.43 -0.76 -0.93 3.52 0.11 -1.37 -3.18 132.00 133.81 1xoa h PRO 64 Ca 0.16 0.05 0.24 0.00 0.11 0.00 0.00 66.00 66.56 1xoa h PRO 64 Cb 0.76 0.17 -0.17 0.00 0.11 0.00 0.00 31.00 31.87 1xoa h PRO 64 CO 0.66 -0.51 -0.04 0.41 -0.21 0.00 0.00 178.00 178.32 1xoa n GLY 65 N -1.50 -1.34 0.27 -0.55 0.00 -1.26 -0.51 105.19 100.30 1xoa n GLY 65 Ca -0.09 0.93 0.10 0.00 0.00 0.00 0.00 46.02 46.96 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 0.87 0.18 2.61 2.02 -1.93 -2.02 112.91 114.64 1xoa h THR 66 Ca 0.54 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.68 1xoa h THR 66 Cb 1.06 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1xoa h THR 66 CO -0.90 0.01 -0.09 0.00 0.37 0.00 0.00 175.52 174.92 1xoa h ALA 67 N 1.99 -0.81 -0.77 6.16 0.00 -0.94 -2.61 119.26 122.28 1xoa h ALA 67 Ca -0.00 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1xoa h ALA 67 Cb 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 1xoa h ALA 67 CO 0.00 -0.80 0.22 -1.35 0.00 0.00 0.00 179.25 177.33 1xoa h PRO 68 N -0.30 0.30 -0.97 0.00 0.11 -1.67 0.65 132.00 130.13 1xoa h PRO 68 Ca -0.02 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.32 1xoa h PRO 68 Cb 0.18 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.10 1xoa h PRO 68 CO 0.04 0.20 0.53 0.87 -0.21 0.00 0.00 178.00 179.43 1xoa h LYS 69 N 0.31 0.47 -0.39 1.05 1.57 -1.37 0.18 116.57 118.39 1xoa h LYS 69 Ca 0.44 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 59.05 1xoa h LYS 69 Cb 0.76 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 1xoa h LYS 69 CO -0.50 0.31 0.02 0.66 -0.57 0.00 0.00 179.45 179.37 1xoa n TYR 70 N -4.96 1.25 -3.93 -1.35 4.01 -0.52 -4.97 117.16 106.70 1xoa n TYR 70 Ca 0.26 -1.34 -0.32 0.00 -0.16 0.00 0.00 57.90 56.34 1xoa n TYR 70 Cb 0.75 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.87 -0.47 3.57 2.72 0.00 0.05 -4.84 105.19 105.35 1xoa n GLY 71 Ca 0.31 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.32 3.62 1.52 -0.61 2.08 0.10 -4.68 119.36 117.06 1xoa n ILE 72 Ca 0.05 -3.76 0.14 0.00 0.56 0.00 0.00 62.75 59.75 1xoa n ILE 72 Cb 0.51 -2.32 0.63 0.00 -0.75 0.00 0.00 39.64 37.70 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 8.35 1.00 -3.73 0.38 5.12 -1.26 -4.66 116.66 121.85 1xoa n ARG 73 Ca 0.48 -0.39 -0.09 0.00 -1.93 0.00 0.00 57.85 55.92 1xoa n ARG 73 Cb 0.46 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.27 -0.15 0.03 -0.13 0.00 -1.26 -5.19 107.32 98.34 1xoa s GLY 74 Ca 0.34 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 1xoa s GLY 74 CO 0.43 -0.14 0.24 -0.26 0.00 0.00 0.00 173.10 173.36 1xoa s ILE 75 N -3.87 0.09 0.44 0.90 -4.36 -1.26 -4.45 121.20 108.69 1xoa s ILE 75 Ca 0.09 -0.78 -0.24 0.00 -0.26 0.00 0.00 60.65 59.46 1xoa s ILE 75 Cb -0.03 -0.87 -0.08 0.00 1.25 0.00 0.00 42.46 42.73 1xoa s ILE 75 CO -0.01 -0.43 1.21 -2.16 0.24 0.00 0.00 174.94 173.79 1xoa s PRO 76 N -2.41 3.81 -0.03 0.37 0.04 -1.26 -4.82 135.00 130.70 1xoa s PRO 76 Ca -0.06 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1xoa s PRO 76 Cb -0.02 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1xoa s PRO 76 CO -0.03 -0.54 0.03 0.99 0.04 0.00 0.00 177.00 177.49 1xoa s THR 77 N -1.44 -0.00 -0.29 1.26 2.01 -1.18 -0.08 115.64 115.92 1xoa s THR 77 Ca 0.61 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 1xoa s THR 77 Cb -0.32 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1xoa s THR 77 CO 0.39 0.12 0.02 -0.76 -0.69 0.00 0.00 174.62 173.71 1xoa s LEU 78 N 1.29 3.74 -0.25 4.42 1.43 0.36 -0.70 118.68 128.97 1xoa s LEU 78 Ca -0.06 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.01 1xoa s LEU 78 Cb -0.13 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1xoa s LEU 78 CO -0.03 -0.21 0.07 -0.76 0.23 0.00 0.00 176.35 175.66 1xoa s LEU 79 N 1.38 3.47 -0.50 1.79 1.02 -0.11 -0.62 118.68 125.11 1xoa s LEU 79 Ca -0.01 -0.19 -0.16 0.00 0.02 0.00 0.00 54.13 53.79 1xoa s LEU 79 Cb -0.18 -1.93 0.08 0.00 0.02 0.00 0.00 46.19 44.18 1xoa s LEU 79 CO -0.00 -0.03 0.48 -0.22 0.02 0.00 0.00 176.35 176.59 1xoa s LEU 80 N 1.60 5.61 -0.50 1.79 2.96 -0.21 -0.49 118.68 129.44 1xoa s LEU 80 Ca 0.06 -1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 52.44 1xoa s LEU 80 Cb -0.15 -2.24 0.07 0.00 0.50 0.00 0.00 46.19 44.36 1xoa s LEU 80 CO 0.04 -0.76 0.56 -0.36 -1.32 0.00 0.00 176.35 174.50 1xoa s PHE 81 N 1.87 3.11 -0.64 5.38 0.40 0.99 -0.24 117.98 128.85 1xoa s PHE 81 Ca 0.06 -0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 55.44 1xoa s PHE 81 Cb -0.25 -3.46 0.04 0.00 0.51 0.00 0.00 43.02 39.87 1xoa s PHE 81 CO 0.07 -0.98 1.10 0.15 0.70 0.00 0.00 175.22 176.26 1xoa s LYS 82 N 2.31 3.26 -1.30 0.44 1.02 0.64 -0.59 119.74 125.53 1xoa s LYS 82 Ca 0.11 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.67 1xoa s LYS 82 Cb -0.21 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 1xoa s LYS 82 CO 0.10 -1.82 0.57 -1.71 -0.92 0.00 0.00 175.35 171.57 1xoa n ASN 83 N 8.30 -2.42 0.00 2.83 4.05 0.38 -0.75 115.26 127.66 1xoa n ASN 83 Ca 0.02 -1.05 0.00 0.00 0.45 0.00 0.00 54.58 54.00 1xoa n ASN 83 Cb 0.48 -3.00 0.00 0.00 1.23 0.00 0.00 39.78 38.48 1xoa n ASN 83 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xoa n GLY 84 N -1.90 3.00 3.56 8.20 0.00 -1.24 -4.91 105.19 111.90 1xoa n GLY 84 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1xoa n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xoa s GLU 85 N -0.03 3.53 -0.36 1.61 2.02 0.07 -4.90 118.70 120.65 1xoa s GLU 85 Ca 0.00 0.16 -0.27 0.00 0.02 0.00 0.00 54.97 54.88 1xoa s GLU 85 Cb 0.00 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.24 1xoa s GLU 85 CO 0.00 -1.24 2.30 0.08 0.02 0.00 0.00 175.26 176.42 1xoa s VAL 86 N 3.78 3.02 -0.06 2.63 1.01 -1.26 -0.26 120.40 129.26 1xoa s VAL 86 Ca 0.37 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1xoa s VAL 86 Cb -0.10 -3.04 -0.30 0.00 0.00 0.00 0.00 36.38 32.94 1xoa s VAL 86 CO 0.26 -0.03 0.89 0.00 0.00 0.00 0.00 175.10 176.23 1xoa h ALA 87 N 17.22 -0.07 -2.80 5.51 0.00 -0.97 -3.48 119.26 134.67 1xoa h ALA 87 Ca -0.33 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 1xoa h ALA 87 Cb 1.25 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 1xoa h ALA 87 CO 1.06 0.32 0.10 0.00 0.00 0.00 0.00 179.25 180.74 1xoa s ALA 88 N -2.45 -1.38 -0.06 0.00 0.00 -1.22 -5.04 121.76 111.60 1xoa s ALA 88 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1xoa s ALA 88 Cb 0.00 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1xoa s ALA 88 CO 0.81 -0.67 -0.03 0.95 0.00 0.00 0.00 175.76 176.82 1xoa s THR 89 N -3.40 0.53 -0.23 0.00 -4.23 -1.26 -1.04 115.64 106.00 1xoa s THR 89 Ca -0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1xoa s THR 89 Cb -0.00 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1xoa s THR 89 CO -0.10 0.25 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.43 1xoa s LYS 90 N 1.39 3.12 -0.16 3.99 2.36 0.21 -4.97 119.74 125.68 1xoa s LYS 90 Ca -0.03 -0.79 -0.15 0.00 -2.55 0.00 0.00 55.97 52.45 1xoa s LYS 90 Cb -0.13 -2.98 -0.05 0.00 -1.05 0.00 0.00 37.83 33.62 1xoa s LYS 90 CO -0.03 -0.29 0.33 0.08 1.55 0.00 0.00 175.35 176.99 1xoa s VAL 91 N 1.40 5.28 0.00 4.02 1.01 -1.26 -0.49 120.40 130.37 1xoa s VAL 91 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1xoa s VAL 91 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1xoa s VAL 91 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1xoa n GLY 92 N 3.41 0.82 3.75 4.51 0.00 0.89 -5.00 105.19 113.57 1xoa n GLY 92 Ca -0.11 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.53 1.83 0.16 4.61 0.00 -1.26 -4.74 121.76 119.84 1xoa s ALA 93 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.69 1xoa s ALA 93 Cb 0.00 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1xoa s ALA 93 CO 0.00 -2.10 0.52 -0.48 0.00 0.00 0.00 175.76 173.70 1xoa s LEU 94 N -6.05 -0.08 0.78 0.00 2.34 -1.26 -5.13 118.68 109.28 1xoa s LEU 94 Ca 0.62 -0.24 -0.11 0.00 0.06 0.00 0.00 54.13 54.46 1xoa s LEU 94 Cb -0.17 2.24 0.06 0.00 -0.56 0.00 0.00 46.19 47.77 1xoa s LEU 94 CO 0.56 -0.97 1.08 -0.94 -1.06 0.00 0.00 176.35 175.03 1xoa s SER 95 N -2.80 4.58 0.27 1.48 1.04 -1.26 -4.82 113.70 112.18 1xoa s SER 95 Ca 0.04 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 58.01 1xoa s SER 95 Cb -0.00 -2.31 0.43 0.00 0.10 0.00 0.00 66.02 64.24 1xoa s SER 95 CO -0.09 -1.95 1.87 0.50 0.98 0.00 0.00 173.24 174.55 1xoa h LYS 96 N -1.07 1.10 0.45 4.02 3.64 -2.00 0.78 116.57 123.49 1xoa h LYS 96 Ca -0.46 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1xoa h LYS 96 Cb 1.24 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1xoa h LYS 96 CO 0.56 0.73 -0.23 0.78 -2.27 0.00 0.00 179.45 179.01 1xoa h GLY 97 N 1.13 -0.66 0.68 5.01 0.00 -1.99 0.66 103.07 107.90 1xoa h GLY 97 Ca 0.44 0.25 0.06 0.00 0.00 0.00 0.00 47.33 48.09 1xoa h GLY 97 CO -0.19 -0.24 0.41 1.46 0.00 0.00 0.00 176.54 177.97 1xoa h GLN 98 N -0.63 0.72 0.32 4.80 4.20 -1.80 0.30 115.11 123.02 1xoa h GLN 98 Ca -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1xoa h GLN 98 Cb 0.49 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1xoa h GLN 98 CO 0.09 0.48 -0.19 1.25 -0.67 0.00 0.00 178.83 179.79 1xoa h LEU 99 N 0.74 -0.46 -0.44 1.46 5.85 -0.60 0.89 115.31 122.75 1xoa h LEU 99 Ca 0.32 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1xoa h LEU 99 Cb 0.19 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1xoa h LEU 99 CO -0.18 -0.30 0.05 0.11 -0.34 0.00 0.00 178.44 177.78 1xoa h LYS 100 N -0.48 0.17 -0.02 1.25 1.57 -0.45 0.91 116.57 119.52 1xoa h LYS 100 Ca -0.03 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1xoa h LYS 100 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1xoa h LYS 100 CO 0.04 0.11 -0.21 1.49 -0.57 0.00 0.00 179.45 180.32 1xoa h GLU 101 N 0.17 -0.31 -0.06 3.15 4.81 -0.66 0.99 114.58 122.68 1xoa h GLU 101 Ca 0.22 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1xoa h GLU 101 Cb 0.29 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1xoa h GLU 101 CO -0.31 -0.20 -0.17 0.35 -0.73 0.00 0.00 179.01 177.95 1xoa h PHE 102 N -0.32 -0.43 0.20 0.92 3.57 -0.24 0.82 116.94 121.46 1xoa h PHE 102 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xoa h PHE 102 Cb 0.41 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1xoa h PHE 102 CO -0.26 -0.24 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.28 1xoa h LEU 103 N -0.24 -0.61 -0.23 0.59 3.38 -0.54 -0.31 115.31 117.34 1xoa h LEU 103 Ca 0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1xoa h LEU 103 Cb 0.34 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1xoa h LEU 103 CO -0.20 -0.33 -0.09 -0.78 0.09 0.00 0.00 178.44 177.13 1xoa h ASP 104 N -0.47 -0.32 -0.91 -0.43 3.58 -0.60 0.16 116.42 117.43 1xoa h ASP 104 Ca 0.01 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.61 1xoa h ASP 104 Cb 0.45 0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 1xoa h ASP 104 CO -0.07 -0.12 0.57 0.00 -2.88 0.00 0.00 179.24 176.74 1xoa h ALA 105 N 1.15 1.27 0.01 -0.78 0.00 -0.58 0.19 119.26 120.53 1xoa h ALA 105 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xoa h ALA 105 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xoa h ALA 105 CO -0.27 0.30 -0.08 -0.91 0.00 0.00 0.00 179.25 178.29 1xoa h ASN 106 N 1.01 0.06 -0.40 0.00 2.35 -0.43 -3.31 115.58 114.86 1xoa h ASN 106 Ca 0.41 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1xoa h ASN 106 Cb 0.22 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1xoa h ASN 106 CO -0.19 0.94 0.26 -0.07 -1.65 0.00 0.00 177.43 176.73 1xoa h LEU 107 N -0.83 0.46 -0.55 1.61 3.38 -0.65 -3.51 115.31 115.22 1xoa h LEU 107 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xoa h LEU 107 Cb 0.96 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xoa h LEU 107 CO 0.02 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.88