#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 -0.13 -2.48 6.43 9.92 -1.26 -0.90 116.55 128.14 1xob n ASP 2 Ca 0.00 1.27 -0.15 0.00 -0.53 0.00 0.00 54.79 55.38 1xob n ASP 2 Cb 0.00 -0.45 0.03 0.00 -0.64 0.00 0.00 41.12 40.06 1xob n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xob n LYS 3 N -5.07 2.56 -5.22 -1.24 5.02 -1.26 -5.07 118.16 107.88 1xob n LYS 3 Ca 0.16 -3.89 -0.30 0.00 -2.02 0.00 0.00 58.31 52.27 1xob n LYS 3 Cb 0.53 -1.88 -0.16 0.00 -0.02 0.00 0.00 35.03 33.50 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 -4.31 1.93 -0.40 -0.18 1.01 -0.08 -4.66 121.20 114.52 1xob s ILE 4 Ca 0.39 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1xob s ILE 4 Cb 0.40 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1xob s ILE 4 CO -0.04 0.55 0.78 -0.63 0.00 0.00 0.00 174.94 175.60 1xob s ILE 5 N -0.49 4.71 -0.55 2.92 -1.09 -0.39 -4.88 121.20 121.42 1xob s ILE 5 Ca 0.07 0.69 -0.26 0.00 -2.23 0.00 0.00 60.65 58.92 1xob s ILE 5 Cb -0.10 -4.25 0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1xob s ILE 5 CO -0.00 -0.54 1.05 -1.00 -1.23 0.00 0.00 174.94 173.21 1xob s HIS 6 N 3.16 2.73 0.52 3.97 3.76 -1.26 -0.58 115.29 127.60 1xob s HIS 6 Ca 0.30 0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 55.39 1xob s HIS 6 Cb -0.13 -4.25 -0.00 0.00 1.11 0.00 0.00 32.58 29.31 1xob s HIS 6 CO 0.19 -1.42 0.80 -0.51 -0.85 0.00 0.00 174.74 172.95 1xob s LEU 7 N 4.35 3.45 0.19 0.89 1.43 0.59 -4.97 118.68 124.61 1xob s LEU 7 Ca 0.36 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1xob s LEU 7 Cb -0.10 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1xob s LEU 7 CO 0.23 -0.86 0.06 0.42 0.23 0.00 0.00 176.35 176.43 1xob s THR 8 N -2.79 0.40 0.16 5.49 -4.23 -1.26 -4.08 115.64 109.32 1xob s THR 8 Ca 0.51 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1xob s THR 8 Cb -0.10 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1xob s THR 8 CO 0.42 -0.26 1.79 -0.78 -0.54 0.00 0.00 174.62 175.25 1xob h ASP 9 N 2.63 0.33 -0.42 3.99 1.82 -1.94 0.22 116.42 123.06 1xob h ASP 9 Ca -0.37 0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.33 1xob h ASP 9 Cb 1.22 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 41.14 1xob h ASP 9 CO 0.60 0.24 0.19 -0.78 -1.61 0.00 0.00 179.24 177.87 1xob h ASP 10 N 0.44 0.25 1.34 2.28 3.58 -2.01 -2.78 116.42 119.51 1xob h ASP 10 Ca 0.17 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 1xob h ASP 10 Cb 0.05 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1xob h ASP 10 CO -0.10 0.18 -0.52 0.77 -2.88 0.00 0.00 179.24 176.68 1xob h SER 11 N 0.38 0.00 -0.88 2.28 4.64 -1.85 -3.34 113.55 114.78 1xob h SER 11 Ca 0.18 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.73 1xob h SER 11 Cb 0.12 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.05 1xob h SER 11 CO -0.15 0.52 0.04 0.15 -0.87 0.00 0.00 176.83 176.52 1xob h PHE 12 N 0.00 -0.01 -0.04 4.77 3.57 -0.28 0.13 116.94 125.08 1xob h PHE 12 Ca -0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1xob h PHE 12 Cb 1.34 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 1xob h PHE 12 CO 0.00 -0.33 -0.23 0.22 -2.23 0.00 0.00 178.31 175.74 1xob h ASP 13 N 0.07 -0.74 -0.15 0.41 3.58 -1.68 0.22 116.42 118.13 1xob h ASP 13 Ca 0.52 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.95 1xob h ASP 13 Cb 1.00 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1xob h ASP 13 CO -0.79 -0.22 -0.30 0.74 -2.88 0.00 0.00 179.24 175.79 1xob h THR 14 N -0.27 1.36 -0.13 2.25 2.02 -1.66 0.21 112.91 116.68 1xob h THR 14 Ca 0.01 -1.55 -0.20 0.00 0.77 0.00 0.00 66.41 65.44 1xob h THR 14 Cb 0.30 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1xob h THR 14 CO -0.18 0.47 -0.73 0.44 0.37 0.00 0.00 175.52 175.89 1xob h ASP 15 N 0.10 0.71 0.00 4.18 5.19 -0.75 -3.29 116.42 122.56 1xob h ASP 15 Ca 0.01 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1xob h ASP 15 Cb 0.89 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1xob h ASP 15 CO 0.07 1.22 -0.53 0.52 -3.12 0.00 0.00 179.24 177.40 1xob n VAL 16 N -3.90 1.33 -0.10 -1.35 0.31 0.64 -4.25 118.33 111.00 1xob n VAL 16 Ca -0.05 0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.52 1xob n VAL 16 Cb 0.71 -1.98 0.22 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.53 0.70 -3.91 7.52 3.38 -0.45 -1.57 115.31 120.46 1xob h LEU 17 Ca 0.00 -0.12 -0.42 0.00 0.09 0.00 0.00 57.88 57.43 1xob h LEU 17 Cb 0.53 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 40.85 1xob h LEU 17 CO 0.00 0.71 0.53 0.29 0.09 0.00 0.00 178.44 180.06 1xob n LYS 18 N -4.28 2.78 -1.52 1.13 5.02 0.65 -4.20 118.16 117.75 1xob n LYS 18 Ca 0.03 -3.04 -0.29 0.00 -2.02 0.00 0.00 58.31 53.00 1xob n LYS 18 Cb 0.23 -2.20 0.16 0.00 -0.02 0.00 0.00 35.03 33.20 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 -3.19 1.64 -0.05 7.82 0.00 -0.60 -4.86 121.76 122.52 1xob s ALA 19 Ca 0.56 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1xob s ALA 19 Cb 0.47 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1xob s ALA 19 CO 0.12 -2.53 0.10 0.34 0.00 0.00 0.00 175.76 173.78 1xob s ASP 20 N -4.13 0.01 0.00 0.00 2.15 -1.26 -4.32 116.67 109.11 1xob s ASP 20 Ca 0.67 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.83 1xob s ASP 20 Cb -0.12 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 1xob s ASP 20 CO 0.54 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 1xob n GLY 21 N 4.24 -2.21 3.60 2.66 0.00 -1.26 -4.84 105.19 107.39 1xob n GLY 21 Ca -0.26 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.70 3.55 -0.19 4.61 0.00 -1.26 -0.98 121.76 125.79 1xob s ALA 22 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 1xob s ALA 22 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1xob s ALA 22 CO 0.00 -0.57 -0.16 0.42 0.00 0.00 0.00 175.76 175.45 1xob s ILE 23 N 1.83 2.36 -0.47 0.00 1.01 0.41 -0.92 121.20 125.42 1xob s ILE 23 Ca 0.10 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1xob s ILE 23 Cb -0.16 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.34 1xob s ILE 23 CO 0.10 0.51 0.62 -0.22 0.00 0.00 0.00 174.94 175.95 1xob s LEU 24 N 1.31 4.75 -0.42 2.97 1.98 0.05 -0.22 118.68 129.10 1xob s LEU 24 Ca 0.05 -0.65 -0.16 0.00 -2.89 0.00 0.00 54.13 50.47 1xob s LEU 24 Cb -0.13 -2.55 0.03 0.00 0.66 0.00 0.00 46.19 44.19 1xob s LEU 24 CO -0.10 -0.82 0.38 -0.69 -1.89 0.00 0.00 176.35 173.23 1xob s VAL 25 N 2.68 5.17 -0.45 1.68 1.01 0.45 0.07 120.40 131.01 1xob s VAL 25 Ca 0.18 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1xob s VAL 25 Cb -0.17 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1xob s VAL 25 CO 0.15 -0.40 0.59 -0.62 0.00 0.00 0.00 175.10 174.82 1xob s ASP 26 N 1.86 6.27 -0.02 3.32 3.68 0.20 -0.58 116.67 131.39 1xob s ASP 26 Ca 0.08 -0.57 -0.30 0.00 2.13 0.00 0.00 52.55 53.89 1xob s ASP 26 Cb -0.19 -2.29 -0.03 0.00 -1.45 0.00 0.00 42.92 38.96 1xob s ASP 26 CO 0.11 -0.77 1.04 -0.36 0.13 0.00 0.00 175.17 175.32 1xob s PHE 27 N 2.62 3.55 0.27 -5.34 0.40 0.32 -0.39 117.98 119.41 1xob s PHE 27 Ca 0.18 1.58 -0.03 0.00 -0.60 0.00 0.00 56.93 58.05 1xob s PHE 27 Cb -0.16 -3.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 1xob s PHE 27 CO 0.16 -0.35 0.34 1.67 0.70 0.00 0.00 175.22 177.74 1xob s TRP 28 N 1.35 1.00 -0.11 0.36 1.48 0.24 -2.39 118.94 120.88 1xob s TRP 28 Ca 0.52 -1.22 -0.19 0.00 -1.06 0.00 0.00 56.10 54.15 1xob s TRP 28 Cb -0.22 -0.25 0.04 0.00 -1.16 0.00 0.00 33.47 31.89 1xob s TRP 28 CO 0.25 -0.91 0.47 0.00 -4.06 0.00 0.00 176.95 172.70 1xob s ALA 29 N -3.70 -1.18 0.20 2.67 0.00 -1.26 -0.39 121.76 118.09 1xob s ALA 29 Ca 0.32 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 1xob s ALA 29 Cb 0.02 -0.43 0.19 0.00 0.00 0.00 0.00 23.12 22.90 1xob s ALA 29 CO 0.16 -0.26 1.62 0.93 0.00 0.00 0.00 175.76 178.21 1xob h GLU 30 N 4.57 -0.05 0.00 0.00 3.07 -2.00 -0.28 114.58 119.89 1xob h GLU 30 Ca -0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 1xob h GLU 30 Cb 1.17 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1xob h GLU 30 CO 0.29 -0.04 -0.10 0.11 -1.40 0.00 0.00 179.01 177.87 1xob h TRP 31 N -0.06 0.00 -0.24 4.33 5.08 -2.06 -3.37 115.95 119.63 1xob h TRP 31 Ca 0.27 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.54 1xob h TRP 31 Cb 0.47 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.58 1xob h TRP 31 CO -0.52 0.10 2.87 0.00 -1.28 0.00 0.00 178.44 179.61 1xob n GLY 33 N 4.47 -0.17 0.51 0.00 0.00 -1.26 -0.30 105.19 108.44 1xob n GLY 33 Ca 0.51 0.06 0.32 0.00 0.00 0.00 0.00 46.02 46.91 1xob n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xob h PRO 34 N 0.00 0.00 -0.55 1.61 0.13 -1.95 0.20 132.00 131.44 1xob h PRO 34 Ca 0.01 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1xob h PRO 34 Cb 0.01 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1xob h PRO 34 CO -0.03 0.00 0.35 0.00 -0.23 0.00 0.00 178.00 178.08 1xob h LYS 36 N 0.70 0.67 -0.30 0.00 1.57 -0.76 0.21 116.57 118.65 1xob h LYS 36 Ca 0.21 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1xob h LYS 36 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1xob h LYS 36 CO -0.07 0.79 0.13 1.98 -0.57 0.00 0.00 179.45 181.71 1xob h MET 37 N 0.60 0.44 0.00 3.15 4.05 -0.85 -3.03 114.93 119.29 1xob h MET 37 Ca 0.10 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 1xob h MET 37 Cb 0.61 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1xob h MET 37 CO 0.04 0.45 -0.62 -0.84 0.23 0.00 0.00 176.91 176.17 1xob h ILE 38 N 0.34 1.25 -0.86 1.77 3.07 -0.68 -3.38 117.51 119.02 1xob h ILE 38 Ca 0.10 -2.26 0.09 0.00 1.55 0.00 0.00 64.86 64.34 1xob h ILE 38 Cb 0.16 2.29 -0.11 0.00 -0.27 0.00 0.00 36.82 38.89 1xob h ILE 38 CO -0.01 0.60 -0.47 0.00 -1.05 0.00 0.00 178.15 177.23 1xob n ALA 39 N -2.34 -0.45 -0.32 0.16 0.00 0.04 -0.33 120.51 117.27 1xob n ALA 39 Ca -0.00 0.76 -0.00 0.00 0.00 0.00 0.00 53.44 54.19 1xob n ALA 39 Cb 0.68 -0.18 0.13 0.00 0.00 0.00 0.00 19.45 20.08 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 1.03 -0.00 0.00 0.13 -1.74 0.10 132.00 131.52 1xob h PRO 40 Ca 0.17 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1xob h PRO 40 Cb 0.39 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1xob h PRO 40 CO -0.81 0.68 -0.08 0.82 -0.23 0.00 0.00 178.00 178.37 1xob h ILE 41 N 1.06 0.79 -0.90 -3.56 2.04 -0.89 0.98 117.51 117.03 1xob h ILE 41 Ca 0.36 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.31 1xob h ILE 41 Cb 0.07 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1xob h ILE 41 CO -0.14 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.49 1xob h LEU 42 N -0.14 0.82 -0.32 1.44 3.38 -0.10 0.11 115.31 120.50 1xob h LEU 42 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xob h LEU 42 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xob h LEU 42 CO -0.09 0.48 0.12 0.44 0.09 0.00 0.00 178.44 179.48 1xob h ASP 43 N 0.93 0.45 -0.09 -0.43 3.32 -0.13 0.18 116.42 120.65 1xob h ASP 43 Ca 0.42 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1xob h ASP 43 Cb 0.33 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1xob h ASP 43 CO -0.23 0.50 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.40 1xob h GLU 44 N 0.37 -0.06 -0.27 3.56 5.08 0.13 -0.15 114.58 123.24 1xob h GLU 44 Ca 0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1xob h GLU 44 Cb 0.20 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1xob h GLU 44 CO -0.01 -0.04 -0.08 0.82 -1.00 0.00 0.00 179.01 178.70 1xob h ILE 45 N -0.07 0.70 -0.47 3.13 1.08 -0.67 0.77 117.51 121.98 1xob h ILE 45 Ca 0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.62 1xob h ILE 45 Cb 0.15 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1xob h ILE 45 CO -0.13 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.32 1xob h ALA 46 N 1.25 0.44 0.52 1.87 0.00 0.04 0.17 119.26 123.54 1xob h ALA 46 Ca 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xob h ALA 46 Cb 0.22 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xob h ALA 46 CO -0.29 -0.39 -0.25 0.22 0.00 0.00 0.00 179.25 178.54 1xob h ASP 47 N 0.11 -0.60 -0.66 0.00 1.82 -0.32 -2.03 116.42 114.75 1xob h ASP 47 Ca 0.24 0.01 0.10 0.00 -0.39 0.00 0.00 57.03 56.98 1xob h ASP 47 Cb 0.35 0.15 -0.07 0.00 0.68 0.00 0.00 39.33 40.44 1xob h ASP 47 CO -0.40 -0.41 0.28 -0.33 -1.61 0.00 0.00 179.24 176.77 1xob h GLU 48 N -0.72 0.47 -0.99 0.28 5.08 -0.35 -2.42 114.58 115.92 1xob h GLU 48 Ca -0.07 -0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.78 1xob h GLU 48 Cb 0.55 -0.11 -0.28 0.00 0.50 0.00 0.00 28.75 29.41 1xob h GLU 48 CO 0.12 0.31 0.60 0.66 -1.00 0.00 0.00 179.01 179.70 1xob n TYR 49 N -4.95 2.85 -1.66 4.33 4.02 0.54 -4.99 117.16 117.29 1xob n TYR 49 Ca 0.10 -1.74 -0.48 0.00 -0.01 0.00 0.00 57.90 55.78 1xob n TYR 49 Cb 0.28 -0.89 -0.05 0.00 -0.02 0.00 0.00 39.34 38.66 1xob n TYR 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xob n GLN 50 N -1.01 2.01 0.00 -0.72 6.02 -0.77 -0.47 117.38 122.45 1xob n GLN 50 Ca 0.55 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 58.27 1xob n GLN 50 Cb 1.59 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1xob n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xob n GLY 51 N 3.58 2.78 0.13 1.08 0.00 -1.26 -4.74 105.19 106.75 1xob n GLY 51 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.97 0.66 -3.93 1.61 5.02 0.38 -4.97 118.16 114.96 1xob n LYS 52 Ca 0.00 0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 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 -6.48 1.16 -0.61 -0.35 2.96 0.10 -4.64 118.68 110.83 1xob s LEU 53 Ca -0.33 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.33 1xob s LEU 53 Cb 0.09 -0.23 0.07 0.00 0.50 0.00 0.00 46.19 46.62 1xob s LEU 53 CO 0.62 -0.10 0.87 -0.89 -1.32 0.00 0.00 176.35 175.53 1xob s THR 54 N 1.03 4.49 0.01 3.68 2.01 -0.09 -4.65 115.64 122.11 1xob s THR 54 Ca -0.10 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1xob s THR 54 Cb -0.14 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.76 1xob s THR 54 CO -0.02 -1.26 0.99 -0.69 -0.69 0.00 0.00 174.62 172.95 1xob s VAL 55 N 3.61 4.83 0.07 3.82 1.01 -1.26 -0.77 120.40 131.70 1xob s VAL 55 Ca 0.20 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.25 1xob s VAL 55 Cb -0.18 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1xob s VAL 55 CO 0.11 0.17 -0.07 0.00 0.00 0.00 0.00 175.10 175.30 1xob s ALA 56 N 0.97 0.76 0.03 5.51 0.00 0.11 -1.26 121.76 127.88 1xob s ALA 56 Ca 0.52 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1xob s ALA 56 Cb -0.21 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1xob s ALA 56 CO 0.28 -0.11 -0.17 0.15 0.00 0.00 0.00 175.76 175.91 1xob s LYS 57 N -2.58 1.20 -0.15 0.00 1.02 0.26 -0.63 119.74 118.86 1xob s LYS 57 Ca -0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1xob s LYS 57 Cb -0.03 -1.23 0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1xob s LYS 57 CO -0.02 0.32 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.55 1xob s LEU 58 N -0.93 1.22 -0.63 3.17 0.20 0.48 -0.30 118.68 121.89 1xob s LEU 58 Ca 0.05 -0.56 -0.28 0.00 0.69 0.00 0.00 54.13 54.04 1xob s LEU 58 Cb -0.08 -0.70 0.03 0.00 -0.43 0.00 0.00 46.19 45.02 1xob s LEU 58 CO 0.01 -0.22 1.21 0.21 -0.29 0.00 0.00 176.35 177.27 1xob s ASN 59 N 1.79 6.36 0.35 3.68 3.84 -1.26 -0.59 114.94 129.11 1xob s ASN 59 Ca 0.01 -0.07 0.14 0.00 0.21 0.00 0.00 52.86 53.16 1xob s ASN 59 Cb -0.15 -2.55 0.62 0.00 -0.55 0.00 0.00 41.25 38.62 1xob s ASN 59 CO -0.07 -1.58 1.74 0.16 -2.79 0.00 0.00 177.10 174.56 1xob h ILE 60 N 6.12 1.19 -0.49 -5.21 3.07 -0.94 0.08 117.51 121.34 1xob h ILE 60 Ca -0.26 -1.60 0.04 0.00 1.55 0.00 0.00 64.86 64.60 1xob h ILE 60 Cb 1.05 1.89 -0.04 0.00 -0.27 0.00 0.00 36.82 39.45 1xob h ILE 60 CO 1.21 0.44 0.24 0.44 -1.05 0.00 0.00 178.15 179.43 1xob h ASP 61 N 0.00 0.34 0.10 2.16 3.32 -1.91 0.31 116.42 120.75 1xob h ASP 61 Ca -0.00 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 1xob h ASP 61 Cb 0.86 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.38 1xob h ASP 61 CO 0.06 0.24 -0.97 1.56 -1.72 0.00 0.00 179.24 178.41 1xob h GLN 62 N 0.48 0.61 -2.29 3.56 7.50 -1.90 -3.38 115.11 119.68 1xob h GLN 62 Ca 0.22 -0.63 -0.63 0.00 0.50 0.00 0.00 58.65 58.11 1xob h GLN 62 Cb 0.13 0.17 -0.40 0.00 0.05 0.00 0.00 27.48 27.43 1xob h GLN 62 CO -0.16 1.23 -0.39 0.09 -1.50 0.00 0.00 178.83 178.10 1xob n ASN 63 N -3.83 4.36 -0.08 1.46 3.02 0.00 -4.94 115.26 115.26 1xob n ASN 63 Ca -0.09 -3.51 -0.08 0.00 -0.03 0.00 0.00 54.58 50.87 1xob n ASN 63 Cb 0.84 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 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 4.03 0.27 -1.48 3.52 0.13 -1.16 -3.07 132.00 134.25 1xob h PRO 64 Ca 0.20 -0.02 0.49 0.00 -0.87 0.00 0.00 66.00 65.80 1xob h PRO 64 Cb 0.61 -0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.55 1xob h PRO 64 CO 0.90 0.18 0.98 0.78 -0.23 0.00 0.00 178.00 180.61 1xob h GLY 65 N 0.28 1.12 1.15 1.56 0.00 -1.92 0.16 103.07 105.42 1xob h GLY 65 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1xob h GLY 65 CO -0.09 -0.38 0.44 -0.91 0.00 0.00 0.00 176.54 175.60 1xob h THR 66 N 0.02 1.23 0.51 4.70 1.35 -1.92 -1.98 112.91 116.83 1xob h THR 66 Ca 0.88 -0.58 -0.02 0.00 -0.55 0.00 0.00 66.41 66.15 1xob h THR 66 Cb 2.97 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1xob h THR 66 CO -0.38 0.26 -0.37 0.00 -0.25 0.00 0.00 175.52 174.79 1xob h ALA 67 N 1.37 -1.13 -0.51 6.62 0.00 -0.88 -0.35 119.26 124.38 1xob h ALA 67 Ca 0.28 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1xob h ALA 67 Cb 0.02 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1xob h ALA 67 CO -0.05 -1.12 -0.17 -1.35 0.00 0.00 0.00 179.25 176.57 1xob h PRO 68 N -0.84 -0.04 -0.93 0.00 0.11 -1.69 0.47 132.00 129.08 1xob h PRO 68 Ca -0.07 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.21 1xob h PRO 68 Cb 0.69 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.71 1xob h PRO 68 CO 0.04 -0.03 0.53 0.87 -0.21 0.00 0.00 178.00 179.19 1xob h LYS 69 N -0.05 0.69 -0.48 1.05 1.57 -1.05 -0.48 116.57 117.82 1xob h LYS 69 Ca 0.24 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1xob h LYS 69 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1xob h LYS 69 CO -0.55 0.46 0.03 0.66 -0.57 0.00 0.00 179.45 179.47 1xob n TYR 70 N -4.81 1.73 -4.28 -1.35 4.01 -0.17 -4.95 117.16 107.34 1xob n TYR 70 Ca 0.20 -0.85 -0.36 0.00 -0.16 0.00 0.00 57.90 56.72 1xob n TYR 70 Cb 0.49 -0.47 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.11 -0.38 3.68 2.72 0.00 -0.19 -4.80 105.19 106.32 1xob n GLY 71 Ca 0.27 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.33 0.51 0.14 -0.61 2.08 -0.01 -4.88 119.36 112.26 1xob n ILE 72 Ca 0.01 -0.09 -0.25 0.00 0.56 0.00 0.00 62.75 62.98 1xob n ILE 72 Cb 0.52 -2.05 -0.16 0.00 -0.75 0.00 0.00 39.64 37.20 1xob n ILE 72 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1xob h ARG 73 N 9.10 0.56 -1.01 0.38 2.47 -1.91 -3.46 114.38 120.50 1xob h ARG 73 Ca -0.48 -0.93 0.24 0.00 -1.26 0.00 0.00 59.98 57.55 1xob h ARG 73 Cb 1.25 0.34 -0.30 0.00 -1.65 0.00 0.00 29.97 29.60 1xob h ARG 73 CO 0.94 1.44 0.97 0.20 0.56 0.00 0.00 179.97 184.08 1xob s GLY 74 N -4.58 0.23 0.24 0.04 0.00 -1.26 -5.18 107.32 96.81 1xob s GLY 74 Ca -0.09 3.18 -0.04 0.00 0.00 0.00 0.00 44.72 47.76 1xob s GLY 74 CO 0.95 1.43 0.49 -0.26 0.00 0.00 0.00 173.10 175.70 1xob s ILE 75 N -0.63 5.08 0.32 0.90 -4.36 -1.26 -4.06 121.20 117.18 1xob s ILE 75 Ca 0.09 -0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.19 1xob s ILE 75 Cb -0.02 -3.70 -0.10 0.00 1.25 0.00 0.00 42.46 39.88 1xob s ILE 75 CO -0.12 -0.21 1.27 -2.16 0.24 0.00 0.00 174.94 173.97 1xob s PRO 76 N -3.28 4.40 -0.20 0.37 0.04 -1.26 -4.80 135.00 130.26 1xob s PRO 76 Ca 0.43 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1xob s PRO 76 Cb -0.11 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1xob s PRO 76 CO 0.28 -0.13 -0.06 0.99 0.04 0.00 0.00 177.00 178.12 1xob s THR 77 N -1.06 1.38 -0.24 1.26 2.01 -1.00 -0.39 115.64 117.59 1xob s THR 77 Ca 0.49 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 1xob s THR 77 Cb -0.38 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1xob s THR 77 CO 0.50 0.04 0.40 -0.76 -0.69 0.00 0.00 174.62 174.11 1xob s LEU 78 N 1.49 4.08 -0.23 4.42 1.43 0.60 -0.52 118.68 129.96 1xob s LEU 78 Ca -0.02 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1xob s LEU 78 Cb -0.17 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1xob s LEU 78 CO -0.07 -0.15 -0.08 -0.76 0.23 0.00 0.00 176.35 175.52 1xob s LEU 79 N 1.81 2.90 -0.65 1.79 2.01 0.26 -0.47 118.68 126.31 1xob s LEU 79 Ca 0.17 -0.64 -0.18 0.00 0.01 0.00 0.00 54.13 53.49 1xob s LEU 79 Cb -0.15 -1.67 0.12 0.00 0.01 0.00 0.00 46.19 44.50 1xob s LEU 79 CO 0.09 -0.06 0.75 -0.22 1.01 0.00 0.00 176.35 177.92 1xob s LEU 80 N 1.38 5.53 -0.43 1.79 2.96 0.09 -0.41 118.68 129.59 1xob s LEU 80 Ca 0.03 -1.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.07 1xob s LEU 80 Cb -0.15 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1xob s LEU 80 CO -0.05 -1.04 0.71 -0.36 -1.32 0.00 0.00 176.35 174.29 1xob s PHE 81 N 2.38 3.04 -0.36 5.38 0.08 0.70 -0.19 117.98 129.01 1xob s PHE 81 Ca 0.14 0.10 -0.16 0.00 0.12 0.00 0.00 56.93 57.13 1xob s PHE 81 Cb -0.21 -3.48 -0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1xob s PHE 81 CO 0.03 -0.90 0.39 0.15 -0.10 0.00 0.00 175.22 174.79 1xob s LYS 82 N 3.04 3.48 -1.46 0.44 1.02 0.58 -0.45 119.74 126.39 1xob s LYS 82 Ca 0.26 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1xob s LYS 82 Cb -0.13 -3.84 0.02 0.00 -0.52 0.00 0.00 37.83 33.36 1xob s LYS 82 CO 0.20 -0.60 0.42 0.09 -0.92 0.00 0.00 175.35 174.54 1xob n ASN 83 N 5.46 -0.58 0.00 2.83 4.13 -0.16 -0.61 115.26 126.34 1xob n ASN 83 Ca -0.08 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.14 1xob n ASN 83 Cb 0.49 -2.87 0.00 0.00 -1.54 0.00 0.00 39.78 35.86 1xob n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xob n GLY 84 N -1.97 1.97 3.63 7.41 0.00 -1.18 -4.76 105.19 110.29 1xob n GLY 84 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.05 3.99 -0.34 1.61 2.02 0.22 -4.80 118.70 121.35 1xob s GLU 85 Ca 0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.39 1xob s GLU 85 Cb 0.00 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1xob s GLU 85 CO 0.00 0.11 1.92 0.08 0.02 0.00 0.00 175.26 177.39 1xob s VAL 86 N 0.86 3.35 0.02 2.63 1.01 -1.26 -0.31 120.40 126.70 1xob s VAL 86 Ca 0.06 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1xob s VAL 86 Cb -0.13 -3.51 -0.33 0.00 0.00 0.00 0.00 36.38 32.41 1xob s VAL 86 CO 0.03 -0.35 1.01 0.00 0.00 0.00 0.00 175.10 175.78 1xob h ALA 87 N 13.83 -0.11 -2.96 5.51 0.00 -0.91 -3.48 119.26 131.14 1xob h ALA 87 Ca -0.34 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 53.79 1xob h ALA 87 Cb 1.19 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1xob h ALA 87 CO 1.04 0.61 0.14 0.00 0.00 0.00 0.00 179.25 181.04 1xob s ALA 88 N -2.67 -0.83 0.17 0.00 0.00 -1.22 -5.04 121.76 112.17 1xob s ALA 88 Ca -0.10 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1xob s ALA 88 Cb 0.04 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1xob s ALA 88 CO 0.92 -0.98 0.43 -0.08 0.00 0.00 0.00 175.76 176.05 1xob s THR 89 N -3.63 0.05 -0.09 0.00 -1.32 -1.26 -0.73 115.64 108.66 1xob s THR 89 Ca 0.15 -0.94 -0.04 0.00 -1.21 0.00 0.00 61.69 59.65 1xob s THR 89 Cb -0.04 -1.59 0.05 0.00 -1.51 0.00 0.00 72.50 69.41 1xob s THR 89 CO 0.09 -0.22 0.20 -0.75 -2.21 0.00 0.00 174.62 171.73 1xob s LYS 90 N -3.89 0.13 -0.25 7.08 2.47 0.38 -4.99 119.74 120.66 1xob s LYS 90 Ca 0.10 0.51 -0.10 0.00 -1.56 0.00 0.00 55.97 54.93 1xob s LYS 90 Cb 0.01 -0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.18 1xob s LYS 90 CO -0.04 -0.21 0.14 0.08 0.16 0.00 0.00 175.35 175.49 1xob s VAL 91 N 1.57 5.08 0.00 4.02 1.01 -1.26 -0.29 120.40 130.53 1xob s VAL 91 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1xob s VAL 91 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1xob s VAL 91 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1xob n GLY 92 N 4.59 0.65 3.76 4.51 0.00 0.48 -5.02 105.19 114.15 1xob n GLY 92 Ca -0.15 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.45 1.51 0.05 4.61 0.00 -1.26 -4.75 121.76 120.47 1xob s ALA 93 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 1xob s ALA 93 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1xob s ALA 93 CO 0.00 -2.73 0.20 -0.51 0.00 0.00 0.00 175.76 172.73 1xob s LEU 94 N -6.28 1.34 0.39 0.00 1.43 -1.26 -5.11 118.68 109.18 1xob s LEU 94 Ca 0.68 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1xob s LEU 94 Cb -0.11 1.01 -0.06 0.00 0.03 0.00 0.00 46.19 47.06 1xob s LEU 94 CO 0.54 -0.60 0.74 -0.94 0.23 0.00 0.00 176.35 176.32 1xob s SER 95 N -2.26 6.51 0.17 2.29 1.04 -1.26 -4.88 113.70 115.31 1xob s SER 95 Ca -0.03 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.28 1xob s SER 95 Cb 0.00 -2.30 0.11 0.00 0.10 0.00 0.00 66.02 63.94 1xob s SER 95 CO -0.05 -0.37 1.63 0.50 0.98 0.00 0.00 173.24 175.92 1xob h LYS 96 N 1.31 -0.12 0.28 4.02 3.64 -1.98 0.61 116.57 124.34 1xob h LYS 96 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1xob h LYS 96 Cb 1.19 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1xob h LYS 96 CO 0.64 -0.08 -0.44 0.78 -2.27 0.00 0.00 179.45 178.09 1xob h GLY 97 N -0.12 -0.98 0.62 5.01 0.00 -1.99 0.10 103.07 105.71 1xob h GLY 97 Ca 0.21 0.51 0.08 0.00 0.00 0.00 0.00 47.33 48.13 1xob h GLY 97 CO -0.51 -0.31 0.56 1.46 0.00 0.00 0.00 176.54 177.74 1xob h GLN 98 N -0.78 0.93 -0.05 4.80 1.08 -1.87 0.20 115.11 119.42 1xob h GLN 98 Ca -0.01 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1xob h GLN 98 Cb 0.74 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1xob h GLN 98 CO -0.15 0.62 0.03 1.25 -0.95 0.00 0.00 178.83 179.62 1xob h LEU 99 N 0.96 0.07 -0.46 1.46 5.85 -0.46 1.00 115.31 123.73 1xob h LEU 99 Ca 0.42 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.08 1xob h LEU 99 Cb 0.29 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1xob h LEU 99 CO -0.21 0.17 0.14 0.11 -0.34 0.00 0.00 178.44 178.31 1xob h LYS 100 N -0.04 0.29 0.20 1.25 1.57 0.00 0.38 116.57 120.23 1xob h LYS 100 Ca 0.02 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xob h LYS 100 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1xob h LYS 100 CO -0.00 0.19 -0.22 0.93 -0.57 0.00 0.00 179.45 179.78 1xob h GLU 101 N 0.30 -0.44 -0.22 3.15 5.08 -0.73 0.14 114.58 121.86 1xob h GLU 101 Ca 0.22 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1xob h GLU 101 Cb 0.24 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1xob h GLU 101 CO -0.24 -0.30 -0.19 0.35 -1.00 0.00 0.00 179.01 177.63 1xob h PHE 102 N -0.46 -0.50 0.08 4.33 3.57 -0.35 0.11 116.94 123.72 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 0.44 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1xob h PHE 102 CO -0.17 -0.27 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.54 1xob h LEU 103 N -0.20 -0.09 -0.39 0.59 3.38 -0.80 -2.39 115.31 115.41 1xob h LEU 103 Ca 0.13 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1xob h LEU 103 Cb 0.40 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1xob h LEU 103 CO -0.34 0.06 -0.01 -0.78 0.09 0.00 0.00 178.44 177.46 1xob h ASP 104 N -0.23 -0.18 -0.64 -0.43 3.58 -0.41 0.12 116.42 118.23 1xob h ASP 104 Ca -0.01 0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.62 1xob h ASP 104 Cb 0.19 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1xob h ASP 104 CO 0.02 -0.05 0.43 0.00 -2.88 0.00 0.00 179.24 176.75 1xob h ALA 105 N 1.35 1.92 0.04 -0.78 0.00 -0.66 0.12 119.26 121.24 1xob h ALA 105 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1xob h ALA 105 Cb 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xob h ALA 105 CO -0.33 -0.06 -0.27 -0.91 0.00 0.00 0.00 179.25 177.69 1xob h ASN 106 N 0.51 0.17 -0.51 0.00 2.35 -0.68 -3.33 115.58 114.09 1xob h ASN 106 Ca 0.29 -0.93 0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1xob h ASN 106 Cb 0.47 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1xob h ASN 106 CO -0.09 1.09 0.30 -0.07 -1.65 0.00 0.00 177.43 177.00 1xob h LEU 107 N -0.72 0.47 0.00 1.61 3.38 -0.43 -3.52 115.31 116.10 1xob h LEU 107 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xob h LEU 107 Cb 1.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xob h LEU 107 CO 0.05 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.91