#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xob n ASP 2 N 0.00 2.26 -2.64 4.04 5.75 -1.26 -5.00 116.55 119.70 1xob n ASP 2 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 1xob n ASP 2 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1xob n ASP 2 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xob n LYS 3 N 0.00 2.86 -4.91 0.11 5.02 -1.26 -4.83 118.16 115.15 1xob n LYS 3 Ca 0.00 -1.74 -0.26 0.00 -2.02 0.00 0.00 58.31 54.28 1xob n LYS 3 Cb 0.00 -2.36 -0.15 0.00 -0.02 0.00 0.00 35.03 32.50 1xob n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xob s ILE 4 N 1.00 1.55 -0.57 -0.18 1.01 -1.26 -4.55 121.20 118.20 1xob s ILE 4 Ca 0.66 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1xob s ILE 4 Cb 0.26 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.49 1xob s ILE 4 CO -0.05 0.40 0.91 -0.63 0.00 0.00 0.00 174.94 175.58 1xob s ILE 5 N -0.50 4.42 -1.28 2.92 -1.09 -0.12 -4.72 121.20 120.84 1xob s ILE 5 Ca 0.07 0.09 -0.19 0.00 -2.23 0.00 0.00 60.65 58.40 1xob s ILE 5 Cb -0.08 -4.54 0.06 0.00 -1.58 0.00 0.00 42.46 36.32 1xob s ILE 5 CO -0.00 -1.14 1.73 -1.00 -1.23 0.00 0.00 174.94 173.30 1xob s HIS 6 N 3.84 2.72 0.95 3.97 3.76 -1.26 -0.87 115.29 128.41 1xob s HIS 6 Ca 0.27 -1.47 -0.11 0.00 -0.15 0.00 0.00 55.06 53.60 1xob s HIS 6 Cb -0.14 -4.72 0.17 0.00 1.11 0.00 0.00 32.58 29.00 1xob s HIS 6 CO 0.17 -1.79 1.10 -0.51 -0.85 0.00 0.00 174.74 172.86 1xob s LEU 7 N 4.64 2.24 0.16 0.89 1.43 -1.20 -4.92 118.68 121.92 1xob s LEU 7 Ca 0.54 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1xob s LEU 7 Cb 0.04 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 1xob s LEU 7 CO 0.07 -3.14 0.05 0.42 0.23 0.00 0.00 176.35 173.98 1xob s THR 8 N -2.70 0.27 0.17 5.49 -4.23 -1.26 -4.10 115.64 109.28 1xob s THR 8 Ca 0.66 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 1xob s THR 8 Cb -0.21 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.56 1xob s THR 8 CO 0.59 -0.40 1.74 -0.78 -0.54 0.00 0.00 174.62 175.23 1xob h ASP 9 N 2.77 0.09 -0.65 3.99 3.58 -1.90 0.57 116.42 124.87 1xob h ASP 9 Ca -0.36 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.10 1xob h ASP 9 Cb 1.21 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.29 1xob h ASP 9 CO 0.60 0.08 0.21 -2.24 -2.88 0.00 0.00 179.24 175.01 1xob h ASP 10 N 0.28 0.96 0.71 2.28 2.03 -1.98 -3.03 116.42 117.67 1xob h ASP 10 Ca 0.21 -0.17 -0.22 0.00 -0.73 0.00 0.00 57.03 56.12 1xob h ASP 10 Cb 0.24 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.47 1xob h ASP 10 CO -0.25 0.90 -0.99 0.77 -1.03 0.00 0.00 179.24 178.64 1xob h SER 11 N 1.00 0.22 -0.83 4.15 4.64 -1.84 -3.34 113.55 117.55 1xob h SER 11 Ca 0.22 -0.21 0.19 0.00 -0.47 0.00 0.00 61.79 61.52 1xob h SER 11 Cb 0.28 -0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.15 1xob h SER 11 CO -0.01 1.08 -0.13 0.33 -0.87 0.00 0.00 176.83 177.24 1xob n PHE 12 N -3.55 0.38 0.01 4.77 -0.00 0.15 -0.49 117.46 118.73 1xob n PHE 12 Ca -0.04 1.01 -0.07 0.00 -0.00 0.00 0.00 57.45 58.35 1xob n PHE 12 Cb 0.89 -1.03 -0.05 0.00 -0.00 0.00 0.00 39.48 39.29 1xob n PHE 12 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xob h ASP 13 N 0.00 -0.79 -0.11 -2.13 3.58 -1.71 0.25 116.42 115.51 1xob h ASP 13 Ca 0.44 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.88 1xob h ASP 13 Cb 0.76 0.30 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1xob h ASP 13 CO -0.83 -0.24 -0.31 0.74 -2.88 0.00 0.00 179.24 175.72 1xob h THR 14 N -0.30 1.39 0.00 2.25 2.02 -1.52 0.93 112.91 117.68 1xob h THR 14 Ca 0.01 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.52 1xob h THR 14 Cb 0.33 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1xob h THR 14 CO -0.18 0.48 -0.15 0.44 0.37 0.00 0.00 175.52 176.48 1xob h ASP 15 N -0.02 0.00 0.00 4.18 5.19 -0.80 -3.29 116.42 121.68 1xob h ASP 15 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1xob h ASP 15 Cb 0.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1xob h ASP 15 CO 0.07 0.15 0.00 0.52 -3.12 0.00 0.00 179.24 176.86 1xob n VAL 16 N -3.18 0.85 -0.22 -1.35 0.31 0.77 -4.53 118.33 110.98 1xob n VAL 16 Ca 0.02 0.28 0.03 0.00 -0.01 0.00 0.00 64.34 64.66 1xob n VAL 16 Cb 0.50 -1.38 0.28 0.00 -0.91 0.00 0.00 33.84 32.33 1xob n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xob h LEU 17 N 0.00 0.81 -2.54 7.52 3.38 -0.29 -0.44 115.31 123.74 1xob h LEU 17 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xob h LEU 17 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xob h LEU 17 CO 0.00 0.56 0.00 0.29 0.09 0.00 0.00 178.44 179.38 1xob n LYS 18 N -4.45 3.13 -3.02 1.13 5.02 0.23 -3.96 118.16 116.24 1xob n LYS 18 Ca 0.10 -2.28 -0.44 0.00 -2.02 0.00 0.00 58.31 53.67 1xob n LYS 18 Cb 0.12 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1xob n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xob s ALA 19 N -1.74 3.29 -1.21 7.82 0.00 -0.18 -4.95 121.76 124.79 1xob s ALA 19 Ca 0.41 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 1xob s ALA 19 Cb 0.26 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1xob s ALA 19 CO 0.20 -2.31 2.03 -3.47 0.00 0.00 0.00 175.76 172.21 1xob n ASP 20 N 6.79 3.59 -3.71 0.00 2.03 -1.26 -2.94 116.55 121.06 1xob n ASP 20 Ca -0.05 -2.79 0.01 0.00 0.52 0.00 0.00 54.79 52.48 1xob n ASP 20 Cb 0.45 -1.53 0.01 0.00 -0.72 0.00 0.00 41.12 39.34 1xob n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xob s GLY 21 N 4.20 -0.07 -0.29 0.27 0.00 -1.26 -4.88 107.32 105.30 1xob s GLY 21 Ca 0.53 -0.06 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 1xob s GLY 21 CO 0.02 4.84 0.42 0.00 0.00 0.00 0.00 173.10 178.38 1xob s ALA 22 N -2.05 3.55 -0.17 3.20 0.00 -1.26 -1.08 121.76 123.95 1xob s ALA 22 Ca 0.28 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1xob s ALA 22 Cb -0.01 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.35 1xob s ALA 22 CO 0.01 -0.80 -0.07 0.42 0.00 0.00 0.00 175.76 175.31 1xob s ILE 23 N 2.16 1.27 -0.81 0.00 1.01 0.58 -0.79 121.20 124.61 1xob s ILE 23 Ca 0.16 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 1xob s ILE 23 Cb -0.16 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 40.99 1xob s ILE 23 CO 0.10 0.19 1.21 -0.22 0.00 0.00 0.00 174.94 176.23 1xob s LEU 24 N 1.57 3.83 -0.55 2.97 2.96 0.44 -0.41 118.68 129.49 1xob s LEU 24 Ca 0.01 -1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 52.64 1xob s LEU 24 Cb -0.15 -2.50 0.04 0.00 0.50 0.00 0.00 46.19 44.08 1xob s LEU 24 CO -0.08 -1.55 0.93 -0.69 -1.32 0.00 0.00 176.35 173.64 1xob s VAL 25 N 4.69 4.40 -0.40 1.68 1.01 0.74 -0.54 120.40 131.99 1xob s VAL 25 Ca 0.34 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1xob s VAL 25 Cb -0.08 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1xob s VAL 25 CO 0.05 -1.10 0.64 -0.62 0.00 0.00 0.00 175.10 174.07 1xob s ASP 26 N 2.83 6.37 -0.23 3.32 3.68 0.38 -0.50 116.67 132.52 1xob s ASP 26 Ca 0.30 -0.09 -0.24 0.00 2.13 0.00 0.00 52.55 54.64 1xob s ASP 26 Cb -0.13 -2.32 -0.01 0.00 -1.45 0.00 0.00 42.92 39.01 1xob s ASP 26 CO 0.19 -0.68 0.82 -0.36 0.13 0.00 0.00 175.17 175.27 1xob s PHE 27 N 2.76 3.33 0.32 -5.34 0.40 0.71 -0.22 117.98 119.94 1xob s PHE 27 Ca 0.23 1.15 0.06 0.00 -0.60 0.00 0.00 56.93 57.77 1xob s PHE 27 Cb -0.14 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 1xob s PHE 27 CO 0.17 -0.36 0.24 1.67 0.70 0.00 0.00 175.22 177.64 1xob s TRP 28 N 2.67 1.67 -0.02 0.36 1.48 -0.01 -1.31 118.94 123.79 1xob s TRP 28 Ca 0.35 -1.58 -0.17 0.00 -1.06 0.00 0.00 56.10 53.64 1xob s TRP 28 Cb -0.16 -0.74 0.03 0.00 -1.16 0.00 0.00 33.47 31.44 1xob s TRP 28 CO 0.08 -0.77 0.36 0.00 -4.06 0.00 0.00 176.95 172.56 1xob s ALA 29 N -3.53 -0.91 0.06 2.67 0.00 -1.26 -0.46 121.76 118.33 1xob s ALA 29 Ca 0.39 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1xob s ALA 29 Cb 0.03 0.08 -0.17 0.00 0.00 0.00 0.00 23.12 23.06 1xob s ALA 29 CO 0.24 -0.28 1.59 1.49 0.00 0.00 0.00 175.76 178.80 1xob h GLU 30 N 3.73 -0.03 0.00 0.00 4.57 -2.00 -2.93 114.58 117.92 1xob h GLU 30 Ca -0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1xob h GLU 30 Cb 1.17 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1xob h GLU 30 CO 0.40 0.12 -0.07 0.11 -1.18 0.00 0.00 179.01 178.39 1xob h TRP 31 N -0.18 0.00 -0.64 0.92 5.08 -2.05 -3.36 115.95 115.73 1xob h TRP 31 Ca -0.00 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.30 1xob h TRP 31 Cb 0.16 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.26 1xob h TRP 31 CO -0.03 0.07 2.34 0.00 -1.28 0.00 0.00 178.44 179.54 1xob n GLY 33 N 5.13 -0.30 0.46 0.00 0.00 -1.26 -0.30 105.19 108.93 1xob n GLY 33 Ca 0.49 0.11 0.36 0.00 0.00 0.00 0.00 46.02 46.98 1xob n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xob h PRO 34 N 0.00 0.10 -0.58 1.61 0.11 -1.94 0.26 132.00 131.56 1xob h PRO 34 Ca 0.01 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.21 1xob h PRO 34 Cb 0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.05 1xob h PRO 34 CO -0.07 0.07 0.20 0.00 -0.21 0.00 0.00 178.00 177.99 1xob h LYS 36 N 0.38 0.00 -0.07 0.00 1.79 -0.63 0.93 116.57 118.97 1xob h LYS 36 Ca 0.29 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.62 1xob h LYS 36 Cb 0.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1xob h LYS 36 CO -0.30 0.22 -0.52 0.52 -1.08 0.00 0.00 179.45 178.28 1xob h MET 37 N 0.00 0.47 0.00 3.15 2.86 -0.77 -3.23 114.93 117.41 1xob h MET 37 Ca -0.00 -0.42 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 1xob h MET 37 Cb 0.67 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1xob h MET 37 CO 0.03 1.06 -0.55 -0.84 1.06 0.00 0.00 176.91 177.67 1xob h ILE 38 N 0.03 1.12 -0.82 -1.22 3.07 -0.80 -3.37 117.51 115.51 1xob h ILE 38 Ca -0.05 -2.09 0.07 0.00 1.55 0.00 0.00 64.86 64.34 1xob h ILE 38 Cb 1.19 2.23 -0.10 0.00 -0.27 0.00 0.00 36.82 39.87 1xob h ILE 38 CO 0.11 0.54 -0.49 0.00 -1.05 0.00 0.00 178.15 177.26 1xob n ALA 39 N -2.31 -0.53 -0.35 0.16 0.00 0.30 -0.17 120.51 117.61 1xob n ALA 39 Ca 0.00 0.70 0.03 0.00 0.00 0.00 0.00 53.44 54.17 1xob n ALA 39 Cb 0.65 -0.11 0.17 0.00 0.00 0.00 0.00 19.45 20.16 1xob n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xob h PRO 40 N 0.00 1.06 0.01 0.00 0.13 -1.75 0.17 132.00 131.61 1xob h PRO 40 Ca 0.13 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1xob h PRO 40 Cb 0.34 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1xob h PRO 40 CO -0.78 0.70 -0.05 0.82 -0.23 0.00 0.00 178.00 178.46 1xob h ILE 41 N 1.09 0.87 -0.70 -3.56 2.04 -0.77 0.84 117.51 117.32 1xob h ILE 41 Ca 0.42 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.35 1xob h ILE 41 Cb 0.21 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1xob h ILE 41 CO -0.19 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 178.28 1xob h LEU 42 N -0.09 0.55 -0.11 1.44 3.38 -0.20 0.72 115.31 121.00 1xob h LEU 42 Ca 0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xob h LEU 42 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xob h LEU 42 CO -0.05 0.34 0.01 0.44 0.09 0.00 0.00 178.44 179.28 1xob h ASP 43 N 0.69 -0.02 -0.02 -0.43 3.32 -0.30 0.12 116.42 119.76 1xob h ASP 43 Ca 0.32 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.42 1xob h ASP 43 Cb 0.24 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1xob h ASP 43 CO -0.21 0.01 -0.14 -0.33 -1.72 0.00 0.00 179.24 176.84 1xob h GLU 44 N 0.05 -0.22 -0.30 3.56 5.08 -0.11 -0.91 114.58 121.73 1xob h GLU 44 Ca 0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xob h GLU 44 Cb 0.05 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1xob h GLU 44 CO -0.08 -0.15 -0.08 0.82 -1.00 0.00 0.00 179.01 178.53 1xob h ILE 45 N -0.23 0.70 -0.61 3.13 1.08 -0.61 0.12 117.51 121.10 1xob h ILE 45 Ca 0.06 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.64 1xob h ILE 45 Cb 0.30 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 1xob h ILE 45 CO -0.16 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.46 1xob h ALA 46 N 1.30 0.74 0.49 1.87 0.00 -0.18 0.45 119.26 123.93 1xob h ALA 46 Ca 0.14 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xob h ALA 46 Cb 0.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xob h ALA 46 CO -0.31 -0.28 -0.23 -0.44 0.00 0.00 0.00 179.25 177.99 1xob h ASP 47 N 0.30 -0.56 -0.64 0.00 3.32 -0.49 -1.85 116.42 116.50 1xob h ASP 47 Ca 0.32 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.42 1xob h ASP 47 Cb 0.46 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.03 1xob h ASP 47 CO -0.38 -0.20 -0.15 -0.33 -1.72 0.00 0.00 179.24 176.46 1xob h GLU 48 N -0.96 0.01 -0.84 3.56 5.08 -0.36 -0.83 114.58 120.24 1xob h GLU 48 Ca -0.07 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 1xob h GLU 48 Cb 0.60 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.66 1xob h GLU 48 CO 0.11 0.00 0.40 0.66 -1.00 0.00 0.00 179.01 179.19 1xob n TYR 49 N -5.43 2.67 -1.55 4.33 4.02 0.11 -4.99 117.16 116.32 1xob n TYR 49 Ca 0.08 -1.41 -0.47 0.00 -0.01 0.00 0.00 57.90 56.09 1xob n TYR 49 Cb 0.33 -0.78 -0.05 0.00 -0.02 0.00 0.00 39.34 38.83 1xob n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1xob n GLN 50 N -0.46 1.66 0.00 -0.72 0.00 -0.32 -0.21 117.38 117.33 1xob n GLN 50 Ca 0.47 0.49 0.00 0.00 -0.00 0.00 0.00 57.00 57.96 1xob n GLN 50 Cb 1.48 -2.83 0.00 0.00 0.00 0.00 0.00 30.24 28.90 1xob n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xob n GLY 51 N 5.84 2.17 0.13 1.69 0.00 -1.26 -4.84 105.19 108.92 1xob n GLY 51 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 1xob n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xob n LYS 52 N -2.00 0.66 -3.78 1.61 5.02 0.70 -4.95 118.16 115.43 1xob n LYS 52 Ca 0.00 0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 1xob n LYS 52 Cb 0.00 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 1xob n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xob s LEU 53 N -6.46 1.11 0.15 -0.35 2.96 0.19 -4.75 118.68 111.52 1xob s LEU 53 Ca -0.32 0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 1xob s LEU 53 Cb 0.09 -0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.67 1xob s LEU 53 CO 0.63 -0.12 0.52 -0.89 -1.32 0.00 0.00 176.35 175.17 1xob s THR 54 N 1.02 4.91 -0.00 3.68 2.01 0.03 -4.44 115.64 122.85 1xob s THR 54 Ca -0.08 0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1xob s THR 54 Cb -0.12 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1xob s THR 54 CO -0.03 0.19 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.15 1xob s VAL 55 N -1.52 2.02 0.04 3.82 1.01 -1.26 -0.42 120.40 124.09 1xob s VAL 55 Ca 0.39 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1xob s VAL 55 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1xob s VAL 55 CO 0.19 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 175.71 1xob s ALA 56 N -0.65 0.68 -0.37 5.51 0.00 0.30 -0.95 121.76 126.28 1xob s ALA 56 Ca 0.10 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xob s ALA 56 Cb -0.10 -0.00 0.11 0.00 0.00 0.00 0.00 23.12 23.13 1xob s ALA 56 CO -0.00 0.03 0.14 0.15 0.00 0.00 0.00 175.76 176.08 1xob s LYS 57 N -1.44 1.16 -0.43 0.00 1.02 -0.04 -0.47 119.74 119.54 1xob s LYS 57 Ca -0.07 -1.65 -0.17 0.00 0.02 0.00 0.00 55.97 54.10 1xob s LYS 57 Cb -0.09 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1xob s LYS 57 CO 0.01 -1.03 0.45 -1.17 -0.92 0.00 0.00 175.35 172.69 1xob s LEU 58 N 0.95 4.91 -0.51 3.17 0.20 0.69 -3.25 118.68 124.84 1xob s LEU 58 Ca 0.13 -0.73 -0.28 0.00 0.69 0.00 0.00 54.13 53.93 1xob s LEU 58 Cb -0.20 -2.38 0.03 0.00 -0.43 0.00 0.00 46.19 43.20 1xob s LEU 58 CO -0.12 -0.61 1.14 0.21 -0.29 0.00 0.00 176.35 176.68 1xob s ASN 59 N 1.92 6.55 0.52 3.68 3.84 -1.26 -0.83 114.94 129.36 1xob s ASN 59 Ca 0.12 0.30 0.26 0.00 0.21 0.00 0.00 52.86 53.75 1xob s ASN 59 Cb -0.18 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.41 1xob s ASN 59 CO 0.13 -1.32 2.07 0.16 -2.79 0.00 0.00 177.10 175.35 1xob h ILE 60 N 6.20 0.62 -0.36 -5.21 3.07 -0.98 -2.63 117.51 118.21 1xob h ILE 60 Ca -0.24 -0.51 0.11 0.00 1.55 0.00 0.00 64.86 65.77 1xob h ILE 60 Cb 1.06 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1xob h ILE 60 CO 1.14 0.12 0.40 0.44 -1.05 0.00 0.00 178.15 179.20 1xob h ASP 61 N 0.00 0.00 -0.01 2.16 3.32 -1.91 0.54 116.42 120.52 1xob h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xob h ASP 61 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xob h ASP 61 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1xob n GLN 62 N -3.73 0.32 -3.03 3.56 1.13 -1.02 -4.81 117.38 109.82 1xob n GLN 62 Ca 0.06 -0.87 -0.16 0.00 -1.94 0.00 0.00 57.00 54.09 1xob n GLN 62 Cb 0.56 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.89 1xob n GLN 62 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xob n ASN 63 N -0.07 -0.49 0.12 1.08 3.02 0.09 -4.87 115.26 114.14 1xob n ASN 63 Ca 0.01 -3.17 -0.14 0.00 -0.03 0.00 0.00 54.58 51.26 1xob n ASN 63 Cb 0.10 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 1xob n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xob h PRO 64 N 3.28 -0.25 -0.99 3.52 0.13 -1.62 -3.22 132.00 132.84 1xob h PRO 64 Ca 0.02 0.02 0.34 0.00 -0.87 0.00 0.00 66.00 65.50 1xob h PRO 64 Cb 0.99 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.00 1xob h PRO 64 CO 0.38 -0.09 0.30 0.78 -0.23 0.00 0.00 178.00 179.14 1xob h GLY 65 N -0.35 1.76 1.57 1.56 0.00 -1.95 0.11 103.07 105.78 1xob h GLY 65 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1xob h GLY 65 CO 0.04 -0.63 0.18 -0.84 0.00 0.00 0.00 176.54 175.29 1xob h THR 66 N 0.04 0.94 0.21 4.70 2.02 -1.96 -2.59 112.91 116.27 1xob h THR 66 Ca 0.72 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.84 1xob h THR 66 Cb 1.70 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1xob h THR 66 CO -0.82 0.03 -0.14 0.00 0.37 0.00 0.00 175.52 174.96 1xob h ALA 67 N 1.86 -0.98 -0.86 6.16 0.00 -0.94 -1.50 119.26 123.01 1xob h ALA 67 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xob h ALA 67 Cb 0.29 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1xob h ALA 67 CO -0.02 -0.97 0.57 -1.00 0.00 0.00 0.00 179.25 177.83 1xob h PRO 68 N -0.33 1.13 -0.97 0.00 0.13 -1.72 0.48 132.00 130.72 1xob h PRO 68 Ca -0.03 -0.07 0.18 0.00 -0.87 0.00 0.00 66.00 65.21 1xob h PRO 68 Cb 0.27 -0.25 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 1xob h PRO 68 CO 0.02 0.75 0.61 0.87 -0.23 0.00 0.00 178.00 180.02 1xob h LYS 69 N 1.16 0.70 -0.39 0.86 1.57 -1.36 0.00 116.57 119.11 1xob h LYS 69 Ca 0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1xob h LYS 69 Cb -0.14 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.02 1xob h LYS 69 CO -0.07 0.46 0.00 0.66 -0.57 0.00 0.00 179.45 179.93 1xob n TYR 70 N -4.66 1.39 -3.63 -1.35 4.01 -0.58 -4.97 117.16 107.37 1xob n TYR 70 Ca 0.21 -0.81 -0.27 0.00 -0.16 0.00 0.00 57.90 56.87 1xob n TYR 70 Cb 0.55 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 1xob n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xob n GLY 71 N -0.04 -0.50 3.70 2.72 0.00 -0.01 -4.90 105.19 106.16 1xob n GLY 71 Ca 0.24 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1xob n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xob n ILE 72 N -4.46 0.06 -0.09 -0.61 -0.00 0.04 -4.90 119.36 109.39 1xob n ILE 72 Ca 0.01 -0.01 -0.22 0.00 -0.00 0.00 0.00 62.75 62.53 1xob n ILE 72 Cb 0.54 -1.86 -0.12 0.00 -0.00 0.00 0.00 39.64 38.20 1xob n ILE 72 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1xob h ARG 73 N 6.78 0.03 -1.89 0.38 2.47 -1.90 -3.44 114.38 116.80 1xob h ARG 73 Ca -0.44 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.20 1xob h ARG 73 Cb 1.22 0.02 -0.21 0.00 -1.65 0.00 0.00 29.97 29.35 1xob h ARG 73 CO 0.94 1.03 0.26 0.20 0.56 0.00 0.00 179.97 182.95 1xob s GLY 74 N -4.93 -0.48 0.07 0.04 0.00 -1.26 -5.18 107.32 95.58 1xob s GLY 74 Ca -0.28 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.16 1xob s GLY 74 CO 0.61 1.26 0.26 -0.26 0.00 0.00 0.00 173.10 174.97 1xob s ILE 75 N -0.64 5.33 0.31 0.90 -4.36 -1.26 -3.80 121.20 117.66 1xob s ILE 75 Ca -0.05 -0.20 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 1xob s ILE 75 Cb -0.02 -3.61 -0.10 0.00 1.25 0.00 0.00 42.46 39.98 1xob s ILE 75 CO 0.05 0.15 1.25 -2.16 0.24 0.00 0.00 174.94 174.47 1xob s PRO 76 N -2.43 4.44 -0.03 0.37 0.04 -1.26 -4.81 135.00 131.33 1xob s PRO 76 Ca 0.35 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1xob s PRO 76 Cb -0.13 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1xob s PRO 76 CO 0.25 -0.08 -0.25 0.99 0.04 0.00 0.00 177.00 177.94 1xob s THR 77 N -1.03 2.09 -0.30 1.26 2.01 -0.43 -0.27 115.64 118.97 1xob s THR 77 Ca 0.48 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1xob s THR 77 Cb -0.37 -1.72 0.07 0.00 0.01 0.00 0.00 72.50 70.49 1xob s THR 77 CO 0.48 0.58 -0.01 -0.76 -0.69 0.00 0.00 174.62 174.22 1xob s LEU 78 N -0.57 4.09 -0.37 4.42 1.43 0.29 -0.21 118.68 127.77 1xob s LEU 78 Ca 0.09 -1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 51.39 1xob s LEU 78 Cb -0.10 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1xob s LEU 78 CO -0.00 -0.29 0.26 -0.76 0.23 0.00 0.00 176.35 175.79 1xob s LEU 79 N 1.07 4.74 -0.60 1.79 1.02 0.34 -0.49 118.68 126.55 1xob s LEU 79 Ca -0.01 -0.62 -0.21 0.00 0.02 0.00 0.00 54.13 53.31 1xob s LEU 79 Cb -0.20 -2.14 0.07 0.00 0.02 0.00 0.00 46.19 43.94 1xob s LEU 79 CO -0.05 -0.32 0.85 -0.22 0.02 0.00 0.00 176.35 176.63 1xob s LEU 80 N 1.70 4.65 0.18 1.79 2.96 0.17 -0.18 118.68 129.95 1xob s LEU 80 Ca 0.06 -0.97 -0.20 0.00 -0.22 0.00 0.00 54.13 52.79 1xob s LEU 80 Cb -0.18 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 43.97 1xob s LEU 80 CO 0.10 -1.25 0.69 -0.36 -1.32 0.00 0.00 176.35 174.21 1xob s PHE 81 N 3.52 3.71 -0.17 5.38 0.40 0.45 -0.04 117.98 131.22 1xob s PHE 81 Ca 0.20 1.37 -0.05 0.00 -0.60 0.00 0.00 56.93 57.85 1xob s PHE 81 Cb -0.18 -2.59 0.06 0.00 0.51 0.00 0.00 43.02 40.82 1xob s PHE 81 CO 0.11 0.41 0.11 0.15 0.70 0.00 0.00 175.22 176.71 1xob s LYS 82 N -1.72 0.08 -0.83 0.44 1.02 0.40 -0.31 119.74 118.83 1xob s LYS 82 Ca 0.39 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.35 1xob s LYS 82 Cb -0.18 -1.66 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1xob s LYS 82 CO 0.21 -0.65 0.72 -1.71 -0.92 0.00 0.00 175.35 173.00 1xob n ASN 83 N 5.29 -6.94 0.00 2.83 5.15 -0.24 -3.21 115.26 118.13 1xob n ASN 83 Ca -0.07 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 1xob n ASN 83 Cb 0.49 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 35.24 1xob n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xob n GLY 84 N -1.68 0.93 3.93 8.20 0.00 -1.15 -4.92 105.19 110.51 1xob n GLY 84 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1xob n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xob s GLU 85 N 0.00 3.49 -0.22 1.61 0.41 -1.20 -4.63 118.70 118.17 1xob s GLU 85 Ca 0.00 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 53.84 1xob s GLU 85 Cb 0.00 -2.87 -0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1xob s GLU 85 CO 0.00 0.43 1.24 0.08 -0.49 0.00 0.00 175.26 176.52 1xob s VAL 86 N -1.85 4.29 -0.09 2.63 1.01 -1.26 -0.45 120.40 124.68 1xob s VAL 86 Ca 0.37 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 1xob s VAL 86 Cb -0.11 -4.10 -0.29 0.00 0.00 0.00 0.00 36.38 31.88 1xob s VAL 86 CO 0.29 -0.26 0.84 0.00 0.00 0.00 0.00 175.10 175.97 1xob h ALA 87 N 8.45 -0.05 -2.94 5.51 0.00 -0.77 -3.47 119.26 125.99 1xob h ALA 87 Ca -0.25 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1xob h ALA 87 Cb 1.09 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1xob h ALA 87 CO 0.99 0.20 0.10 0.00 0.00 0.00 0.00 179.25 180.55 1xob s ALA 88 N -2.34 -0.72 -0.03 0.00 0.00 -1.10 -5.04 121.76 112.53 1xob s ALA 88 Ca -0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1xob s ALA 88 Cb -0.01 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1xob s ALA 88 CO 0.76 -0.96 0.33 0.99 0.00 0.00 0.00 175.76 176.88 1xob s THR 89 N -3.64 0.05 0.08 0.00 2.01 -1.26 -0.65 115.64 112.22 1xob s THR 89 Ca 0.16 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1xob s THR 89 Cb -0.04 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1xob s THR 89 CO 0.09 -0.22 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.12 1xob s LYS 90 N -1.15 0.86 -0.05 4.92 -0.14 0.35 -5.00 119.74 119.52 1xob s LYS 90 Ca -0.12 -1.02 0.02 0.00 -1.36 0.00 0.00 55.97 53.50 1xob s LYS 90 Cb -0.05 -0.82 0.01 0.00 -1.68 0.00 0.00 37.83 35.29 1xob s LYS 90 CO 0.04 0.18 -0.11 0.08 -0.76 0.00 0.00 175.35 174.78 1xob s VAL 91 N -1.50 1.01 0.00 3.17 1.01 -1.26 -0.55 120.40 122.28 1xob s VAL 91 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xob s VAL 91 Cb -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1xob s VAL 91 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1xob n GLY 92 N 3.67 -3.05 3.76 4.51 0.00 0.63 -4.98 105.19 109.74 1xob n GLY 92 Ca -0.22 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 1xob n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 93 N -1.06 1.86 0.01 4.61 0.00 -1.26 -4.75 121.76 121.17 1xob s ALA 93 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1xob s ALA 93 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1xob s ALA 93 CO 0.00 -2.08 0.15 -0.51 0.00 0.00 0.00 175.76 173.31 1xob s LEU 94 N -6.01 1.54 0.34 0.00 1.43 -1.26 -5.13 118.68 109.58 1xob s LEU 94 Ca 0.62 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 1xob s LEU 94 Cb -0.16 0.73 -0.09 0.00 0.03 0.00 0.00 46.19 46.70 1xob s LEU 94 CO 0.55 -0.42 0.78 -0.94 0.23 0.00 0.00 176.35 176.55 1xob s SER 95 N -1.60 6.84 0.23 2.29 1.04 -1.26 -4.90 113.70 116.34 1xob s SER 95 Ca -0.12 1.38 -0.06 0.00 0.48 0.00 0.00 55.95 57.64 1xob s SER 95 Cb -0.06 -2.41 0.40 0.00 0.10 0.00 0.00 66.02 64.05 1xob s SER 95 CO 0.00 -0.21 1.72 0.50 0.98 0.00 0.00 173.24 176.23 1xob h LYS 96 N 2.30 0.39 0.23 4.02 3.64 -2.00 -0.50 116.57 124.65 1xob h LYS 96 Ca -0.48 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1xob h LYS 96 Cb 1.18 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1xob h LYS 96 CO 0.64 0.26 -0.30 0.78 -2.27 0.00 0.00 179.45 178.56 1xob h GLY 97 N 0.40 -0.63 0.68 5.01 0.00 -1.99 0.17 103.07 106.71 1xob h GLY 97 Ca 0.38 0.34 0.04 0.00 0.00 0.00 0.00 47.33 48.10 1xob h GLY 97 CO -0.40 -0.25 0.12 1.46 0.00 0.00 0.00 176.54 177.47 1xob h GLN 98 N -0.58 0.26 -0.02 4.80 1.08 -1.83 -0.88 115.11 117.94 1xob h GLN 98 Ca 0.00 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1xob h GLN 98 Cb 0.56 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1xob h GLN 98 CO -0.10 0.17 -0.11 1.25 -0.95 0.00 0.00 178.83 179.09 1xob h LEU 99 N 0.27 -0.34 -0.44 1.46 5.85 -0.82 0.33 115.31 121.62 1xob h LEU 99 Ca 0.16 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1xob h LEU 99 Cb 0.14 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1xob h LEU 99 CO -0.17 -0.16 -0.06 0.11 -0.34 0.00 0.00 178.44 177.82 1xob h LYS 100 N -0.18 0.04 -0.02 1.25 1.79 -0.24 0.86 116.57 120.06 1xob h LYS 100 Ca 0.05 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1xob h LYS 100 Cb 0.25 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1xob h LYS 100 CO -0.13 0.03 -0.03 0.93 -1.08 0.00 0.00 179.45 179.16 1xob h GLU 101 N 0.04 -0.05 -0.09 3.15 4.39 -0.73 0.77 114.58 122.06 1xob h GLU 101 Ca 0.21 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1xob h GLU 101 Cb 0.32 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1xob h GLU 101 CO -0.41 -0.03 -0.21 0.35 -1.16 0.00 0.00 179.01 177.55 1xob h PHE 102 N -0.05 -0.55 -0.01 4.33 3.57 -0.22 0.90 116.94 124.91 1xob h PHE 102 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xob h PHE 102 Cb 0.08 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1xob h PHE 102 CO -0.12 -0.29 0.00 -0.07 -2.23 0.00 0.00 178.31 175.61 1xob h LEU 103 N -0.29 0.00 -0.21 0.59 3.38 -0.68 -0.84 115.31 117.27 1xob h LEU 103 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xob h LEU 103 Cb 0.41 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1xob h LEU 103 CO -0.26 0.00 -0.10 -0.78 0.09 0.00 0.00 178.44 177.40 1xob h ASP 104 N 0.01 -0.33 -0.80 -0.43 3.58 -0.56 0.15 116.42 118.03 1xob h ASP 104 Ca 0.00 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1xob h ASP 104 Cb 0.00 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1xob h ASP 104 CO -0.00 -0.13 0.52 0.00 -2.88 0.00 0.00 179.24 176.75 1xob h ALA 105 N 1.11 1.70 0.08 -0.78 0.00 -0.57 0.97 119.26 121.76 1xob h ALA 105 Ca 0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1xob h ALA 105 Cb 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xob h ALA 105 CO -0.26 0.16 -0.87 -0.91 0.00 0.00 0.00 179.25 177.37 1xob h ASN 106 N 0.79 0.63 -0.24 0.00 2.35 -0.24 -3.29 115.58 115.59 1xob h ASN 106 Ca 0.36 -0.84 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1xob h ASN 106 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1xob h ASN 106 CO -0.13 1.40 0.13 -0.07 -1.65 0.00 0.00 177.43 177.10 1xob h LEU 107 N -0.06 0.30 0.00 1.61 3.38 -0.39 -3.51 115.31 116.63 1xob h LEU 107 Ca -0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xob h LEU 107 Cb 1.61 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1xob h LEU 107 CO 0.17 0.31 0.00 0.00 0.09 0.00 0.00 178.44 179.00