#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 -0.02 -1.80 6.43 2.03 -1.26 -0.94 116.55 121.00 1xob n ASP 2 Ca 0.00 1.41 -0.05 0.00 0.52 0.00 0.00 54.79 56.67 1xob n ASP 2 Cb 0.00 -0.55 0.07 0.00 -0.72 0.00 0.00 41.12 39.92 1xob n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xob n LYS 3 N -5.13 1.91 -4.60 -0.67 5.02 -1.26 -5.06 118.16 108.36 1xob n LYS 3 Ca 0.22 -3.35 -0.34 0.00 -2.02 0.00 0.00 58.31 52.82 1xob n LYS 3 Cb 0.73 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.14 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 -3.14 3.67 -0.49 -0.18 1.01 -0.11 -4.60 121.20 117.35 1xob s ILE 4 Ca 0.38 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1xob s ILE 4 Cb 0.37 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 40.35 1xob s ILE 4 CO -0.05 0.57 0.87 -0.63 0.00 0.00 0.00 174.94 175.71 1xob s ILE 5 N -0.47 4.51 -0.46 2.92 -1.09 -0.23 -4.88 121.20 121.50 1xob s ILE 5 Ca 0.07 0.41 -0.28 0.00 -2.23 0.00 0.00 60.65 58.62 1xob s ILE 5 Cb -0.12 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.35 1xob s ILE 5 CO 0.02 -0.90 1.06 -1.00 -1.23 0.00 0.00 174.94 172.89 1xob s HIS 6 N 3.63 2.87 0.67 3.97 3.76 -1.26 -0.71 115.29 128.23 1xob s HIS 6 Ca 0.31 0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 55.83 1xob s HIS 6 Cb -0.12 -4.23 0.07 0.00 1.11 0.00 0.00 32.58 29.41 1xob s HIS 6 CO 0.22 -1.18 0.95 -0.51 -0.85 0.00 0.00 174.74 173.37 1xob s LEU 7 N 4.17 2.99 0.16 0.89 1.43 0.46 -4.96 118.68 123.82 1xob s LEU 7 Ca 0.44 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1xob s LEU 7 Cb -0.08 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1xob s LEU 7 CO 0.29 -1.56 0.01 0.42 0.23 0.00 0.00 176.35 175.74 1xob s THR 8 N -3.10 0.53 0.15 5.49 -4.23 -1.26 -4.41 115.64 108.81 1xob s THR 8 Ca 0.61 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1xob s THR 8 Cb -0.09 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1xob s THR 8 CO 0.43 -0.51 1.75 -0.78 -0.54 0.00 0.00 174.62 174.97 1xob h ASP 9 N 2.76 0.13 -0.48 3.99 1.82 -1.88 0.16 116.42 122.92 1xob h ASP 9 Ca -0.36 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.33 1xob h ASP 9 Cb 1.20 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.21 1xob h ASP 9 CO 0.62 0.11 0.31 0.44 -1.61 0.00 0.00 179.24 179.11 1xob h ASP 10 N 0.26 0.52 1.53 2.28 5.19 -1.97 -2.97 116.42 121.26 1xob h ASP 10 Ca 0.15 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 1xob h ASP 10 Cb 0.12 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1xob h ASP 10 CO -0.16 0.37 -0.43 0.77 -3.12 0.00 0.00 179.24 176.67 1xob h SER 11 N 0.62 0.00 -0.57 6.45 4.64 -1.87 -3.39 113.55 119.44 1xob h SER 11 Ca 0.18 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1xob h SER 11 Cb -0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.98 1xob h SER 11 CO -0.06 0.43 -0.33 0.33 -0.87 0.00 0.00 176.83 176.33 1xob n PHE 12 N -3.22 -0.25 0.15 4.77 7.35 0.53 -0.82 117.46 125.98 1xob n PHE 12 Ca 0.02 0.71 -0.16 0.00 -0.76 0.00 0.00 57.45 57.26 1xob n PHE 12 Cb 0.70 -0.54 -0.09 0.00 0.35 0.00 0.00 39.48 39.90 1xob n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1xob h ASP 13 N 0.00 -1.45 -0.84 -2.13 5.19 -1.77 0.22 116.42 115.64 1xob h ASP 13 Ca 0.09 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1xob h ASP 13 Cb 0.23 0.53 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 1xob h ASP 13 CO -0.53 -0.56 0.56 0.74 -3.12 0.00 0.00 179.24 176.32 1xob h THR 14 N -0.78 1.22 -0.05 0.35 2.02 -1.61 -0.00 112.91 114.05 1xob h THR 14 Ca -0.01 -0.39 -0.17 0.00 0.77 0.00 0.00 66.41 66.61 1xob h THR 14 Cb 0.76 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1xob h THR 14 CO -0.23 0.21 -0.64 0.44 0.37 0.00 0.00 175.52 175.67 1xob h ASP 15 N 1.14 0.64 0.00 4.18 3.32 -0.63 -3.35 116.42 121.72 1xob h ASP 15 Ca 0.31 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 1xob h ASP 15 Cb -0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1xob h ASP 15 CO -0.07 1.25 -1.08 0.52 -1.72 0.00 0.00 179.24 178.14 1xob n VAL 16 N -4.16 1.33 0.04 -1.35 0.31 0.74 -4.28 118.33 110.97 1xob n VAL 16 Ca -0.09 0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1xob n VAL 16 Cb 0.68 -2.03 0.41 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.71 0.40 -1.18 7.52 3.38 -1.02 0.06 115.31 123.77 1xob h LEU 17 Ca -0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xob h LEU 17 Cb 0.90 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1xob h LEU 17 CO -0.08 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1xob n LYS 18 N -4.41 1.75 -2.70 1.13 5.02 -0.64 -4.15 118.16 114.16 1xob n LYS 18 Ca 0.02 -1.15 -0.42 0.00 -2.02 0.00 0.00 58.31 54.73 1xob n LYS 18 Cb 0.13 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.61 2.94 -1.26 7.82 0.00 0.01 -4.92 121.76 124.73 1xob s ALA 19 Ca 0.25 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1xob s ALA 19 Cb 0.13 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1xob s ALA 19 CO 0.18 -3.00 2.20 -3.47 0.00 0.00 0.00 175.76 171.67 1xob n ASP 20 N 8.53 3.95 -1.64 0.00 2.03 -1.26 -2.43 116.55 125.72 1xob n ASP 20 Ca 0.00 -2.75 0.01 0.00 0.52 0.00 0.00 54.79 52.57 1xob n ASP 20 Cb 0.47 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1xob n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xob n GLY 21 N 4.16 0.33 3.54 0.27 0.00 -1.26 -4.89 105.19 107.33 1xob n GLY 21 Ca 0.53 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1xob n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xob s ALA 22 N -1.21 3.51 -0.14 4.61 0.00 -1.26 -0.77 121.76 126.49 1xob s ALA 22 Ca 0.07 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1xob s ALA 22 Cb -0.00 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1xob s ALA 22 CO -0.01 -0.95 -0.19 0.42 0.00 0.00 0.00 175.76 175.03 1xob s ILE 23 N 1.77 1.89 -0.46 0.00 1.01 0.57 -0.90 121.20 125.08 1xob s ILE 23 Ca 0.07 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 1xob s ILE 23 Cb -0.17 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.63 1xob s ILE 23 CO 0.11 0.52 0.63 -0.22 0.00 0.00 0.00 174.94 175.97 1xob s LEU 24 N 1.03 4.67 -0.42 2.97 1.98 0.18 -0.28 118.68 128.80 1xob s LEU 24 Ca -0.03 -0.56 -0.17 0.00 -2.89 0.00 0.00 54.13 50.48 1xob s LEU 24 Cb -0.15 -2.60 0.02 0.00 0.66 0.00 0.00 46.19 44.12 1xob s LEU 24 CO -0.05 -0.82 0.42 -0.69 -1.89 0.00 0.00 176.35 173.31 1xob s VAL 25 N 2.74 5.12 -0.49 1.68 1.01 0.53 0.07 120.40 131.05 1xob s VAL 25 Ca 0.19 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1xob s VAL 25 Cb -0.16 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1xob s VAL 25 CO 0.16 -0.41 0.64 -0.62 0.00 0.00 0.00 175.10 174.87 1xob s ASP 26 N 1.80 6.24 -0.10 3.32 3.68 0.19 -0.50 116.67 131.31 1xob s ASP 26 Ca 0.11 -0.79 -0.30 0.00 2.13 0.00 0.00 52.55 53.70 1xob s ASP 26 Cb -0.17 -2.30 -0.01 0.00 -1.45 0.00 0.00 42.92 38.98 1xob s ASP 26 CO 0.13 -0.88 1.02 -0.36 0.13 0.00 0.00 175.17 175.21 1xob s PHE 27 N 2.71 3.49 0.16 -5.34 0.40 0.06 -0.65 117.98 118.81 1xob s PHE 27 Ca 0.17 1.57 -0.05 0.00 -0.60 0.00 0.00 56.93 58.02 1xob s PHE 27 Cb -0.18 -3.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.12 1xob s PHE 27 CO 0.13 -0.30 0.18 1.67 0.70 0.00 0.00 175.22 177.61 1xob s TRP 28 N 2.00 0.68 -0.07 0.36 1.48 0.39 -1.72 118.94 122.06 1xob s TRP 28 Ca 0.49 -1.03 -0.05 0.00 -1.06 0.00 0.00 56.10 54.45 1xob s TRP 28 Cb -0.19 -0.28 0.02 0.00 -1.16 0.00 0.00 33.47 31.87 1xob s TRP 28 CO 0.18 -0.64 0.17 0.00 -4.06 0.00 0.00 176.95 172.60 1xob s ALA 29 N -4.03 -0.40 0.20 2.67 0.00 -1.26 -0.22 121.76 118.72 1xob s ALA 29 Ca 0.23 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1xob s ALA 29 Cb 0.05 -0.34 0.23 0.00 0.00 0.00 0.00 23.12 23.07 1xob s ALA 29 CO 0.03 -0.10 1.69 1.49 0.00 0.00 0.00 175.76 178.86 1xob h GLU 30 N 6.26 0.17 0.00 0.00 4.81 -1.99 -1.02 114.58 122.81 1xob h GLU 30 Ca -0.30 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1xob h GLU 30 Cb 1.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1xob h GLU 30 CO 0.41 0.11 -0.03 0.11 -0.73 0.00 0.00 179.01 178.88 1xob h TRP 31 N 0.18 0.00 -0.89 0.92 5.08 -2.05 -3.34 115.95 115.84 1xob h TRP 31 Ca 0.28 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.58 1xob h TRP 31 Cb 0.42 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.49 1xob h TRP 31 CO -0.29 0.03 2.09 0.00 -1.28 0.00 0.00 178.44 178.99 1xob n GLY 33 N 5.63 -1.03 0.35 0.00 0.00 -1.26 -0.13 105.19 108.75 1xob n GLY 33 Ca 0.47 0.48 0.30 0.00 0.00 0.00 0.00 46.02 47.27 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 0.12 -0.16 1.61 0.11 -1.93 0.22 132.00 131.97 1xob h PRO 34 Ca 0.08 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.22 1xob h PRO 34 Cb 0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1xob h PRO 34 CO -0.39 0.08 -0.07 0.00 -0.21 0.00 0.00 178.00 177.41 1xob h LYS 36 N -0.06 0.94 -0.53 0.00 1.57 -0.71 -0.57 116.57 117.21 1xob h LYS 36 Ca 0.09 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1xob h LYS 36 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1xob h LYS 36 CO -0.19 0.85 0.28 0.52 -0.57 0.00 0.00 179.45 180.34 1xob h MET 37 N 0.90 0.74 0.00 3.15 2.86 -0.42 -2.91 114.93 119.25 1xob h MET 37 Ca 0.19 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1xob h MET 37 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1xob h MET 37 CO 0.00 0.58 -0.56 -0.84 1.06 0.00 0.00 176.91 177.15 1xob h ILE 38 N 0.70 1.10 -0.89 -1.22 3.07 -0.59 -3.38 117.51 116.31 1xob h ILE 38 Ca 0.18 -2.18 0.10 0.00 1.55 0.00 0.00 64.86 64.52 1xob h ILE 38 Cb 0.06 2.29 -0.12 0.00 -0.27 0.00 0.00 36.82 38.77 1xob h ILE 38 CO -0.03 0.55 -0.46 0.00 -1.05 0.00 0.00 178.15 177.16 1xob n ALA 39 N -2.30 -0.41 -0.36 0.16 0.00 -0.25 -0.33 120.51 117.03 1xob n ALA 39 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 53.44 54.26 1xob n ALA 39 Cb 0.68 -0.22 0.17 0.00 0.00 0.00 0.00 19.45 20.07 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 1.17 -0.06 0.00 0.13 -1.74 0.23 132.00 131.74 1xob h PRO 40 Ca 0.20 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1xob h PRO 40 Cb 0.42 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1xob h PRO 40 CO -0.85 0.77 0.02 0.82 -0.23 0.00 0.00 178.00 178.53 1xob h ILE 41 N 1.20 0.98 -0.82 -3.56 2.04 -0.89 0.78 117.51 117.24 1xob h ILE 41 Ca 0.40 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 66.33 1xob h ILE 41 Cb 0.07 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1xob h ILE 41 CO -0.14 0.01 0.48 -0.07 0.00 0.00 0.00 178.15 178.43 1xob h LEU 42 N 0.05 0.72 -0.28 1.44 3.38 -0.08 0.55 115.31 121.08 1xob h LEU 42 Ca 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xob h LEU 42 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xob h LEU 42 CO -0.03 0.44 0.15 0.44 0.09 0.00 0.00 178.44 179.53 1xob h ASP 43 N 0.85 0.36 -0.10 -0.43 3.32 -0.21 0.24 116.42 120.44 1xob h ASP 43 Ca 0.38 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.37 1xob h ASP 43 Cb 0.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1xob h ASP 43 CO -0.21 0.35 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.22 1xob h GLU 44 N 0.34 -0.12 -0.62 3.56 5.08 -0.05 -0.96 114.58 121.80 1xob h GLU 44 Ca 0.10 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1xob h GLU 44 Cb 0.07 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1xob h GLU 44 CO -0.02 -0.08 0.31 0.82 -1.00 0.00 0.00 179.01 179.05 1xob h ILE 45 N -0.12 0.90 -0.94 3.13 1.08 -0.72 0.82 117.51 121.66 1xob h ILE 45 Ca 0.07 -0.20 0.10 0.00 -0.39 0.00 0.00 64.86 64.45 1xob h ILE 45 Cb 0.23 0.28 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 1xob h ILE 45 CO -0.18 0.10 0.60 0.00 -0.69 0.00 0.00 178.15 177.99 1xob h ALA 46 N 1.36 1.57 0.29 1.87 0.00 0.42 0.20 119.26 124.97 1xob h ALA 46 Ca 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xob h ALA 46 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xob h ALA 46 CO -0.22 0.24 -0.14 0.22 0.00 0.00 0.00 179.25 179.35 1xob h ASP 47 N 0.96 -0.33 -0.66 0.00 3.58 -0.09 -2.00 116.42 117.89 1xob h ASP 47 Ca 0.44 -0.14 0.13 0.00 0.42 0.00 0.00 57.03 57.88 1xob h ASP 47 Cb 0.39 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.43 1xob h ASP 47 CO -0.20 0.15 0.17 -0.33 -2.88 0.00 0.00 179.24 176.16 1xob h GLU 48 N -1.02 0.29 -0.62 0.28 5.08 -0.59 -0.88 114.58 117.13 1xob h GLU 48 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xob h GLU 48 Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xob h GLU 48 CO 0.07 0.19 0.00 0.66 -1.00 0.00 0.00 179.01 178.93 1xob n TYR 49 N -5.11 1.91 -1.67 4.33 4.02 0.66 -4.99 117.16 116.31 1xob n TYR 49 Ca 0.11 -0.66 -0.46 0.00 -0.01 0.00 0.00 57.90 56.88 1xob n TYR 49 Cb 0.37 -0.47 -0.04 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.59 2.08 0.00 -0.72 -0.06 -0.34 -0.55 117.38 118.38 1xob n GLN 50 Ca 0.26 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 1xob n GLN 50 Cb 1.12 -2.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 1xob n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xob n GLY 51 N 2.89 3.00 0.12 1.69 0.00 -1.26 -4.71 105.19 106.92 1xob n GLY 51 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.96 1.61 5.02 0.28 -4.94 118.16 114.84 1xob n LYS 52 Ca 0.00 0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 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 -6.28 1.09 -0.55 -0.35 2.96 0.28 -4.71 118.68 111.12 1xob s LEU 53 Ca -0.28 -0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 1xob s LEU 53 Cb 0.08 -0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.51 1xob s LEU 53 CO 0.66 -0.11 0.86 -0.89 -1.32 0.00 0.00 176.35 175.56 1xob s THR 54 N 1.17 4.51 0.01 3.68 2.01 -0.07 -4.52 115.64 122.42 1xob s THR 54 Ca -0.08 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1xob s THR 54 Cb -0.13 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 1xob s THR 54 CO -0.02 -1.07 1.00 -0.69 -0.69 0.00 0.00 174.62 173.15 1xob s VAL 55 N 3.62 4.77 0.07 3.82 1.01 -1.26 -0.65 120.40 131.78 1xob s VAL 55 Ca 0.26 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.28 1xob s VAL 55 Cb -0.15 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1xob s VAL 55 CO 0.16 0.17 -0.10 0.00 0.00 0.00 0.00 175.10 175.34 1xob s ALA 56 N 0.93 0.92 0.03 5.51 0.00 0.11 -1.07 121.76 128.20 1xob s ALA 56 Ca 0.52 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1xob s ALA 56 Cb -0.22 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1xob s ALA 56 CO 0.28 -0.02 -0.15 0.15 0.00 0.00 0.00 175.76 176.02 1xob s LYS 57 N -2.33 1.08 -0.11 0.00 1.02 0.11 -0.63 119.74 118.88 1xob s LYS 57 Ca -0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 1xob s LYS 57 Cb -0.06 -1.10 0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1xob s LYS 57 CO -0.00 0.28 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.54 1xob s LEU 58 N -0.93 0.87 -0.67 3.17 0.20 0.18 -0.40 118.68 121.09 1xob s LEU 58 Ca 0.04 -0.32 -0.23 0.00 0.69 0.00 0.00 54.13 54.31 1xob s LEU 58 Cb -0.07 -0.56 0.07 0.00 -0.43 0.00 0.00 46.19 45.19 1xob s LEU 58 CO 0.01 -0.21 1.00 0.21 -0.29 0.00 0.00 176.35 177.07 1xob s ASN 59 N 1.89 6.18 0.56 3.68 3.04 -1.26 -0.46 114.94 128.56 1xob s ASN 59 Ca 0.03 -0.95 0.26 0.00 0.04 0.00 0.00 52.86 52.24 1xob s ASN 59 Cb -0.14 -2.43 1.48 0.00 -1.54 0.00 0.00 41.25 38.62 1xob s ASN 59 CO -0.06 -1.48 2.02 0.16 -3.04 0.00 0.00 177.10 174.70 1xob h ILE 60 N 5.98 0.62 -0.70 -5.21 3.07 -0.80 0.37 117.51 120.84 1xob h ILE 60 Ca -0.28 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.19 1xob h ILE 60 Cb 1.07 0.76 -0.05 0.00 -0.27 0.00 0.00 36.82 38.32 1xob h ILE 60 CO 1.19 0.00 0.41 0.44 -1.05 0.00 0.00 178.15 179.14 1xob h ASP 61 N 0.00 0.62 0.41 2.16 3.32 -1.91 -1.02 116.42 120.00 1xob h ASP 61 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1xob h ASP 61 Cb 0.82 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xob h ASP 61 CO -0.00 0.40 -1.34 0.00 -1.72 0.00 0.00 179.24 176.58 1xob n GLN 62 N -4.75 0.48 -3.03 3.56 6.02 -0.18 -4.53 117.38 114.95 1xob n GLN 62 Ca 0.09 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 1xob n GLN 62 Cb 0.17 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 1xob n GLN 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xob n ASN 63 N -2.22 2.72 0.12 1.08 5.03 0.11 -4.83 115.26 117.28 1xob n ASN 63 Ca -0.00 -3.35 -0.14 0.00 0.87 0.00 0.00 54.58 51.96 1xob n ASN 63 Cb 0.50 -0.58 -0.08 0.00 -1.02 0.00 0.00 39.78 38.60 1xob n ASN 63 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1xob h PRO 64 N 2.98 -0.25 -0.93 3.52 0.13 -1.43 -3.24 132.00 132.78 1xob h PRO 64 Ca 0.11 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.53 1xob h PRO 64 Cb 0.75 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 31.79 1xob h PRO 64 CO 0.66 -0.07 0.34 0.78 -0.23 0.00 0.00 178.00 179.48 1xob h GLY 65 N -0.38 1.62 0.41 1.56 0.00 -1.93 0.12 103.07 104.45 1xob h GLY 65 Ca -0.03 -0.09 0.20 0.00 0.00 0.00 0.00 47.33 47.41 1xob h GLY 65 CO 0.04 -0.43 0.57 -0.91 0.00 0.00 0.00 176.54 175.81 1xob h THR 66 N 0.23 0.68 0.12 4.70 1.35 -1.94 -2.05 112.91 115.99 1xob h THR 66 Ca 0.63 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 66.38 1xob h THR 66 Cb 1.34 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1xob h THR 66 CO -0.66 0.05 -0.07 0.00 -0.25 0.00 0.00 175.52 174.59 1xob h ALA 67 N 1.62 -0.94 -0.83 6.62 0.00 -0.92 -1.30 119.26 123.51 1xob h ALA 67 Ca 0.42 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1xob h ALA 67 Cb 1.21 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1xob h ALA 67 CO -0.12 -0.93 0.55 -1.00 0.00 0.00 0.00 179.25 177.76 1xob h PRO 68 N -0.18 1.09 -0.93 0.00 0.13 -1.71 0.44 132.00 130.84 1xob h PRO 68 Ca -0.02 -0.07 0.17 0.00 -0.87 0.00 0.00 66.00 65.22 1xob h PRO 68 Cb 0.14 -0.25 -0.10 0.00 0.13 0.00 0.00 31.00 30.93 1xob h PRO 68 CO 0.01 0.72 0.52 0.87 -0.23 0.00 0.00 178.00 179.89 1xob h LYS 69 N 1.12 0.66 -0.45 0.86 1.57 -1.27 -0.03 116.57 119.02 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 -0.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1xob h LYS 69 CO -0.07 0.44 0.00 0.66 -0.57 0.00 0.00 179.45 179.91 1xob n TYR 70 N -4.83 1.58 -3.83 -1.35 4.01 -0.50 -4.97 117.16 107.27 1xob n TYR 70 Ca 0.20 -0.78 -0.30 0.00 -0.16 0.00 0.00 57.90 56.87 1xob n TYR 70 Cb 0.52 -0.41 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.21 -0.49 3.68 2.72 0.00 -0.03 -4.88 105.19 106.40 1xob n GLY 71 Ca 0.25 0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.53 0.16 -0.09 -0.61 -0.00 0.02 -4.89 119.36 109.42 1xob n ILE 72 Ca 0.03 -0.03 -0.23 0.00 -0.00 0.00 0.00 62.75 62.53 1xob n ILE 72 Cb 0.53 -1.79 -0.12 0.00 -0.00 0.00 0.00 39.64 38.26 1xob n ILE 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1xob n ARG 73 N 4.44 0.62 -3.58 0.38 5.12 -1.26 -4.79 116.66 117.58 1xob n ARG 73 Ca 0.18 0.43 -0.16 0.00 -1.93 0.00 0.00 57.85 56.37 1xob n ARG 73 Cb 0.32 -1.68 -0.06 0.00 -1.16 0.00 0.00 32.46 29.87 1xob n ARG 73 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xob s GLY 74 N -5.24 -0.54 0.07 -0.13 0.00 -1.26 -5.14 107.32 95.08 1xob s GLY 74 Ca -0.29 1.72 -0.01 0.00 0.00 0.00 0.00 44.72 46.14 1xob s GLY 74 CO 0.62 1.37 0.24 -0.26 0.00 0.00 0.00 173.10 175.06 1xob s ILE 75 N -0.40 5.35 0.32 0.90 -4.36 -1.26 -3.88 121.20 117.88 1xob s ILE 75 Ca -0.05 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 1xob s ILE 75 Cb -0.03 -3.62 -0.10 0.00 1.25 0.00 0.00 42.46 39.97 1xob s ILE 75 CO 0.05 0.15 1.27 -2.16 0.24 0.00 0.00 174.94 174.49 1xob s PRO 76 N -2.44 4.40 -0.26 0.37 0.04 -1.26 -4.71 135.00 131.13 1xob s PRO 76 Ca 0.35 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.56 1xob s PRO 76 Cb -0.13 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.39 1xob s PRO 76 CO 0.26 -0.12 -0.10 0.99 0.04 0.00 0.00 177.00 178.07 1xob s THR 77 N -1.15 2.20 -0.82 1.26 2.01 -0.70 -0.17 115.64 118.27 1xob s THR 77 Ca 0.48 -1.66 -0.19 0.00 0.31 0.00 0.00 61.69 60.63 1xob s THR 77 Cb -0.38 -2.31 0.13 0.00 0.01 0.00 0.00 72.50 69.94 1xob s THR 77 CO 0.51 -0.06 0.99 -0.76 -0.69 0.00 0.00 174.62 174.62 1xob s LEU 78 N 1.10 5.20 -0.36 4.42 1.43 0.63 -0.76 118.68 130.34 1xob s LEU 78 Ca -0.08 -1.86 -0.21 0.00 -1.03 0.00 0.00 54.13 50.96 1xob s LEU 78 Cb -0.20 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1xob s LEU 78 CO -0.05 -1.08 0.65 -0.76 0.23 0.00 0.00 176.35 175.34 1xob s LEU 79 N 2.61 4.25 -0.56 1.79 1.02 0.35 -0.77 118.68 127.37 1xob s LEU 79 Ca 0.26 0.15 -0.21 0.00 0.02 0.00 0.00 54.13 54.35 1xob s LEU 79 Cb -0.10 -2.80 0.07 0.00 0.02 0.00 0.00 46.19 43.37 1xob s LEU 79 CO -0.04 -0.61 0.77 -0.22 0.02 0.00 0.00 176.35 176.27 1xob s LEU 80 N 2.75 4.77 -0.34 1.79 2.96 -0.15 -0.34 118.68 130.10 1xob s LEU 80 Ca 0.25 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 1xob s LEU 80 Cb -0.14 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.06 1xob s LEU 80 CO 0.15 -1.11 0.60 -0.36 -1.32 0.00 0.00 176.35 174.32 1xob s PHE 81 N 3.17 3.17 -0.18 5.38 0.40 0.61 -0.18 117.98 130.36 1xob s PHE 81 Ca 0.19 0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 1xob s PHE 81 Cb -0.18 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 1xob s PHE 81 CO 0.12 -0.58 -0.06 0.15 0.70 0.00 0.00 175.22 175.55 1xob s LYS 82 N 2.61 3.46 -1.41 0.44 1.02 0.67 -0.31 119.74 126.21 1xob s LYS 82 Ca 0.23 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 1xob s LYS 82 Cb -0.15 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1xob s LYS 82 CO 0.14 0.03 0.78 -1.71 -0.92 0.00 0.00 175.35 173.67 1xob n ASN 83 N 4.13 -2.49 0.00 2.83 5.15 0.05 -1.00 115.26 123.92 1xob n ASN 83 Ca -0.18 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1xob n ASN 83 Cb 0.52 -3.88 0.00 0.00 -0.53 0.00 0.00 39.78 35.88 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 -1.66 0.13 3.38 8.20 0.00 -1.02 -4.91 105.19 109.32 1xob n GLY 84 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.36 2.11 -0.29 1.61 0.41 -0.17 -4.64 118.70 116.37 1xob s GLU 85 Ca 0.00 -0.93 -0.28 0.00 -0.41 0.00 0.00 54.97 53.34 1xob s GLU 85 Cb 0.00 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 1xob s GLU 85 CO 0.00 0.56 1.90 0.08 -0.49 0.00 0.00 175.26 177.31 1xob s VAL 86 N -0.74 3.36 -0.01 2.63 1.01 -1.26 -0.24 120.40 125.15 1xob s VAL 86 Ca 0.12 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1xob s VAL 86 Cb -0.10 -3.47 -0.32 0.00 0.00 0.00 0.00 36.38 32.48 1xob s VAL 86 CO 0.01 -0.29 0.97 0.00 0.00 0.00 0.00 175.10 175.79 1xob h ALA 87 N 13.30 -0.09 -2.98 5.51 0.00 -0.88 -3.47 119.26 130.65 1xob h ALA 87 Ca -0.36 -0.74 0.04 0.00 0.00 0.00 0.00 54.91 53.85 1xob h ALA 87 Cb 1.19 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1xob h ALA 87 CO 1.01 0.50 0.19 0.00 0.00 0.00 0.00 179.25 180.95 1xob s ALA 88 N -2.61 -1.03 -0.12 0.00 0.00 -1.20 -5.03 121.76 111.77 1xob s ALA 88 Ca -0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 1xob s ALA 88 Cb 0.03 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1xob s ALA 88 CO 0.88 -1.01 0.27 0.99 0.00 0.00 0.00 175.76 176.89 1xob s THR 89 N -3.76 -0.04 -0.29 0.00 2.01 -1.26 -0.98 115.64 111.31 1xob s THR 89 Ca 0.13 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1xob s THR 89 Cb -0.05 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1xob s THR 89 CO 0.08 0.06 0.02 -0.75 -0.69 0.00 0.00 174.62 173.34 1xob s LYS 90 N 1.30 2.77 -0.21 4.92 2.36 0.05 -4.96 119.74 125.96 1xob s LYS 90 Ca -0.09 -1.05 -0.18 0.00 -2.55 0.00 0.00 55.97 52.10 1xob s LYS 90 Cb -0.10 -3.22 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1xob s LYS 90 CO -0.09 -0.51 0.51 0.08 1.55 0.00 0.00 175.35 176.89 1xob s VAL 91 N 1.37 5.11 0.00 4.02 1.01 -1.26 -0.27 120.40 130.38 1xob s VAL 91 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1xob s VAL 91 Cb -0.18 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1xob s VAL 91 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1xob n GLY 92 N 3.99 0.77 3.70 4.51 0.00 0.76 -5.02 105.19 113.90 1xob n GLY 92 Ca -0.05 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.26 1.11 0.29 4.61 0.00 -1.26 -4.70 121.76 119.55 1xob s ALA 93 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1xob s ALA 93 Cb 0.00 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1xob s ALA 93 CO 0.00 -2.78 0.78 -0.48 0.00 0.00 0.00 175.76 173.29 1xob s LEU 94 N -6.39 -0.16 0.61 0.00 2.34 -1.26 -5.09 118.68 108.72 1xob s LEU 94 Ca 0.65 -0.74 -0.08 0.00 0.06 0.00 0.00 54.13 54.02 1xob s LEU 94 Cb -0.17 2.67 0.00 0.00 -0.56 0.00 0.00 46.19 48.13 1xob s LEU 94 CO 0.56 -1.38 0.95 -0.94 -1.06 0.00 0.00 176.35 174.49 1xob s SER 95 N -2.99 5.66 0.25 1.48 1.04 -1.26 -4.89 113.70 113.00 1xob s SER 95 Ca 0.13 0.90 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1xob s SER 95 Cb -0.05 -1.88 0.34 0.00 0.10 0.00 0.00 66.02 64.53 1xob s SER 95 CO 0.08 -1.08 1.88 0.50 0.98 0.00 0.00 173.24 175.60 1xob h LYS 96 N -0.28 1.09 0.73 4.02 3.64 -1.99 0.77 116.57 124.55 1xob h LYS 96 Ca -0.45 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1xob h LYS 96 Cb 1.25 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1xob h LYS 96 CO 0.62 0.72 -0.38 0.78 -2.27 0.00 0.00 179.45 178.92 1xob h GLY 97 N 1.13 -1.07 0.65 5.01 0.00 -1.99 0.44 103.07 107.23 1xob h GLY 97 Ca 0.39 0.41 0.08 0.00 0.00 0.00 0.00 47.33 48.21 1xob h GLY 97 CO -0.15 -0.39 0.62 1.46 0.00 0.00 0.00 176.54 178.08 1xob h GLN 98 N -1.02 1.04 0.48 4.80 7.50 -1.86 0.60 115.11 126.66 1xob h GLN 98 Ca -0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 1xob h GLN 98 Cb 0.79 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.09 1xob h GLN 98 CO 0.15 0.69 -0.23 1.25 -1.50 0.00 0.00 178.83 179.19 1xob h LEU 99 N 1.08 -0.54 -0.57 1.46 5.85 -0.65 0.82 115.31 122.75 1xob h LEU 99 Ca 0.44 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.24 1xob h LEU 99 Cb 0.26 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1xob h LEU 99 CO -0.20 -0.35 0.18 0.11 -0.34 0.00 0.00 178.44 177.84 1xob h LYS 100 N -0.69 0.33 0.21 1.25 1.57 -0.34 0.26 116.57 119.15 1xob h LYS 100 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xob h LYS 100 Cb 0.52 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xob h LYS 100 CO 0.11 0.22 -0.21 0.93 -0.57 0.00 0.00 179.45 179.93 1xob h GLU 101 N 0.34 -0.43 -0.09 3.15 5.08 -0.73 0.12 114.58 122.03 1xob h GLU 101 Ca 0.29 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1xob h GLU 101 Cb 0.37 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1xob h GLU 101 CO -0.32 -0.29 -0.26 0.35 -1.00 0.00 0.00 179.01 177.50 1xob h PHE 102 N -0.44 -0.71 0.14 4.33 3.57 -0.26 0.84 116.94 124.40 1xob h PHE 102 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xob h PHE 102 Cb 0.42 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1xob h PHE 102 CO -0.15 -0.35 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.41 1xob h LEU 103 N -0.36 -0.24 -0.18 0.59 3.38 -0.81 -1.65 115.31 116.04 1xob h LEU 103 Ca 0.09 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xob h LEU 103 Cb 0.48 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xob h LEU 103 CO -0.29 -0.16 -0.11 -0.78 0.09 0.00 0.00 178.44 177.19 1xob h ASP 104 N -0.24 -0.37 -0.87 -0.43 3.58 -0.49 0.15 116.42 117.74 1xob h ASP 104 Ca -0.01 0.08 0.12 0.00 0.42 0.00 0.00 57.03 57.64 1xob h ASP 104 Cb 0.21 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 1xob h ASP 104 CO 0.00 -0.15 0.56 0.00 -2.88 0.00 0.00 179.24 176.77 1xob h ALA 105 N 1.03 1.75 0.06 -0.78 0.00 -0.66 0.97 119.26 121.62 1xob h ALA 105 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1xob h ALA 105 Cb 0.27 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xob h ALA 105 CO -0.25 0.05 -0.52 -0.91 0.00 0.00 0.00 179.25 177.62 1xob h ASN 106 N 0.77 0.36 -0.34 0.00 2.35 -0.44 -3.31 115.58 114.97 1xob h ASN 106 Ca 0.42 -0.88 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1xob h ASN 106 Cb 0.55 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1xob h ASN 106 CO -0.18 1.20 0.16 -0.07 -1.65 0.00 0.00 177.43 176.89 1xob h LEU 107 N -0.43 0.23 0.00 1.61 3.38 -0.37 -3.52 115.31 116.21 1xob h LEU 107 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xob h LEU 107 Cb 1.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xob h LEU 107 CO 0.10 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.80