#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9s s ILE 4 N 0.00 5.38 -0.26 3.15 1.01 -1.26 -4.75 121.20 124.46 1x9s s ILE 4 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 1x9s s ILE 4 Cb 0.00 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1x9s s ILE 4 CO 0.00 0.57 1.30 -0.63 0.00 0.00 0.00 174.94 176.18 1x9s s ILE 5 N -0.74 4.17 -0.45 2.92 1.01 0.13 -4.93 121.20 123.31 1x9s s ILE 5 Ca 0.16 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 61.96 1x9s s ILE 5 Cb -0.13 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1x9s s ILE 5 CO 0.05 -0.38 0.61 -1.00 0.00 0.00 0.00 174.94 174.22 1x9s s HIS 6 N 4.18 3.07 0.78 3.97 3.76 -1.26 -0.93 115.29 128.86 1x9s s HIS 6 Ca 0.56 -0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 55.16 1x9s s HIS 6 Cb -0.18 -3.33 0.10 0.00 1.11 0.00 0.00 32.58 30.28 1x9s s HIS 6 CO 0.21 -0.89 1.11 -0.51 -0.85 0.00 0.00 174.74 173.81 1x9s s LEU 7 N 2.68 2.74 0.12 0.89 1.43 -0.22 -4.97 118.68 121.36 1x9s s LEU 7 Ca 0.19 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1x9s s LEU 7 Cb -0.16 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 1x9s s LEU 7 CO 0.16 -1.93 0.23 0.42 0.23 0.00 0.00 176.35 175.46 1x9s s THR 8 N -3.44 0.11 0.22 5.49 -4.23 -1.26 -4.74 115.64 107.78 1x9s s THR 8 Ca 0.64 -1.30 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1x9s s THR 8 Cb -0.09 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.33 1x9s s THR 8 CO 0.47 -0.49 1.87 0.44 -0.54 0.00 0.00 174.62 176.37 1x9s h ASP 9 N 2.66 0.83 0.91 3.99 3.32 -1.89 -2.44 116.42 123.80 1x9s h ASP 9 Ca -0.33 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 1x9s h ASP 9 Cb 1.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1x9s h ASP 9 CO 0.53 0.58 -0.34 0.44 -1.72 0.00 0.00 179.24 178.73 1x9s h ASP 10 N 0.98 0.00 -0.09 6.45 3.32 -2.00 -3.10 116.42 121.98 1x9s h ASP 10 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1x9s h ASP 10 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1x9s h ASP 10 CO -0.10 0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 1x9s n SER 11 N -3.47 2.73 0.46 6.45 3.41 -1.09 -4.59 113.62 117.51 1x9s n SER 11 Ca 0.00 -1.89 -0.18 0.00 -0.26 0.00 0.00 58.87 56.54 1x9s n SER 11 Cb 0.50 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1x9s n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1x9s h PHE 12 N 4.10 -1.10 -0.66 7.33 3.04 -1.36 -0.06 116.94 128.23 1x9s h PHE 12 Ca 0.00 -0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.06 1x9s h PHE 12 Cb 0.88 0.36 -0.12 0.00 2.56 0.00 0.00 35.95 39.63 1x9s h PHE 12 CO 0.05 -0.68 -0.11 0.22 -2.02 0.00 0.00 178.31 175.77 1x9s h ASP 13 N -1.30 -0.51 -0.04 0.41 1.82 -1.81 0.52 116.42 115.52 1x9s h ASP 13 Ca -0.12 0.19 -0.21 0.00 -0.39 0.00 0.00 57.03 56.49 1x9s h ASP 13 Cb 0.91 0.37 0.02 0.00 0.68 0.00 0.00 39.33 41.30 1x9s h ASP 13 CO 0.20 -0.19 -0.81 0.00 -1.61 0.00 0.00 179.24 176.83 1x9s h THR 14 N 0.03 1.33 -0.15 2.25 1.03 -1.85 -0.06 112.91 115.49 1x9s h THR 14 Ca 0.33 -2.09 -0.14 0.00 -0.01 0.00 0.00 66.41 64.50 1x9s h THR 14 Cb 0.52 2.33 -0.01 0.00 -1.07 0.00 0.00 68.15 69.93 1x9s h THR 14 CO -0.64 0.64 -0.52 0.44 -0.01 0.00 0.00 175.52 175.42 1x9s h ASP 15 N 0.26 0.46 0.00 0.00 3.32 -0.64 -3.30 116.42 116.51 1x9s h ASP 15 Ca -0.09 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1x9s h ASP 15 Cb 1.47 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1x9s h ASP 15 CO 0.16 0.90 -0.61 0.52 -1.72 0.00 0.00 179.24 178.50 1x9s n VAL 16 N -3.95 1.16 -0.19 -1.35 0.31 0.14 -4.58 118.33 109.87 1x9s n VAL 16 Ca -0.02 0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 64.50 1x9s n VAL 16 Cb 0.58 -2.01 0.12 0.00 -0.91 0.00 0.00 33.84 31.62 1x9s n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x9s h LEU 17 N -0.61 0.92 -5.60 7.52 3.38 -1.48 -3.22 115.31 116.23 1x9s h LEU 17 Ca 0.00 -0.18 -0.72 0.00 0.09 0.00 0.00 57.88 57.07 1x9s h LEU 17 Cb 0.61 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 40.79 1x9s h LEU 17 CO 0.00 0.89 0.44 0.29 0.09 0.00 0.00 178.44 180.15 1x9s n LYS 18 N -4.25 4.19 -4.21 1.13 5.02 -0.08 -2.47 118.16 117.49 1x9s n LYS 18 Ca 0.05 -4.49 -0.14 0.00 -2.02 0.00 0.00 58.31 51.71 1x9s n LYS 18 Cb 0.24 -2.35 -0.10 0.00 -0.02 0.00 0.00 35.03 32.80 1x9s n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x9s s ALA 19 N -3.99 1.25 0.09 7.82 0.00 -1.22 -4.75 121.76 120.97 1x9s s ALA 19 Ca 0.45 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1x9s s ALA 19 Cb 0.28 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 1x9s s ALA 19 CO -0.19 -0.09 0.43 -0.51 0.00 0.00 0.00 175.76 175.39 1x9s s ASP 20 N -2.87 6.68 0.00 0.00 1.11 -1.26 -4.45 116.67 115.88 1x9s s ASP 20 Ca 0.12 0.85 0.00 0.00 0.18 0.00 0.00 52.55 53.69 1x9s s ASP 20 Cb 0.01 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.80 1x9s s ASP 20 CO -0.00 0.17 0.00 0.61 1.18 0.00 0.00 175.17 177.12 1x9s n GLY 21 N 0.93 -0.76 3.74 0.21 0.00 -1.26 -4.92 105.19 103.13 1x9s n GLY 21 Ca -0.08 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1x9s n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9s s ALA 22 N -1.86 3.33 -0.10 4.61 0.00 -1.26 -4.38 121.76 122.10 1x9s s ALA 22 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1x9s s ALA 22 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1x9s s ALA 22 CO 0.00 0.07 -0.11 0.42 0.00 0.00 0.00 175.76 176.15 1x9s s ILE 23 N -0.26 1.16 -0.29 0.00 1.01 -0.49 -2.40 121.20 119.94 1x9s s ILE 23 Ca 0.41 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1x9s s ILE 23 Cb -0.22 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1x9s s ILE 23 CO 0.26 0.38 0.22 -0.22 0.00 0.00 0.00 174.94 175.58 1x9s s LEU 24 N 1.27 4.08 -0.14 2.97 2.96 0.06 -0.27 118.68 129.60 1x9s s LEU 24 Ca -0.03 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 1x9s s LEU 24 Cb -0.14 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1x9s s LEU 24 CO -0.04 -0.09 0.05 -0.69 -1.32 0.00 0.00 176.35 174.27 1x9s s VAL 25 N 1.80 4.74 -0.33 1.68 1.01 0.20 -0.67 120.40 128.83 1x9s s VAL 25 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1x9s s VAL 25 Cb -0.16 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.19 1x9s s VAL 25 CO 0.11 0.54 0.07 -0.62 0.00 0.00 0.00 175.10 175.20 1x9s s ASP 26 N -0.32 5.17 -0.32 3.32 2.15 0.82 -0.31 116.67 127.18 1x9s s ASP 26 Ca 0.08 -1.20 -0.22 0.00 0.43 0.00 0.00 52.55 51.64 1x9s s ASP 26 Cb -0.12 -1.81 -0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1x9s s ASP 26 CO 0.02 -0.31 0.69 -0.36 -0.17 0.00 0.00 175.17 175.04 1x9s s PHE 27 N 1.35 3.18 0.31 -5.34 0.40 -0.30 -0.81 117.98 116.77 1x9s s PHE 27 Ca -0.03 0.59 0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1x9s s PHE 27 Cb -0.20 -3.14 -0.02 0.00 0.51 0.00 0.00 43.02 40.17 1x9s s PHE 27 CO 0.01 -0.57 0.21 -2.67 0.70 0.00 0.00 175.22 172.91 1x9s n TRP 28 N 6.07 -0.47 -3.70 0.36 4.27 -0.86 -2.05 117.44 121.06 1x9s n TRP 28 Ca 0.01 -2.41 -0.14 0.00 -3.89 0.00 0.00 57.50 51.06 1x9s n TRP 28 Cb 0.48 0.18 -0.08 0.00 -1.36 0.00 0.00 31.31 30.54 1x9s n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x9s s ALA 29 N -3.12 -1.03 0.33 -1.67 0.00 -1.26 -1.63 121.76 113.37 1x9s s ALA 29 Ca 0.30 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1x9s s ALA 29 Cb 0.01 0.05 0.55 0.00 0.00 0.00 0.00 23.12 23.74 1x9s s ALA 29 CO 0.21 -0.29 1.97 1.49 0.00 0.00 0.00 175.76 179.15 1x9s h GLU 30 N 3.67 0.90 0.00 0.00 4.57 -2.01 -3.02 114.58 118.69 1x9s h GLU 30 Ca -0.29 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 57.74 1x9s h GLU 30 Cb 1.17 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1x9s h GLU 30 CO 0.40 0.62 -0.40 0.11 -1.18 0.00 0.00 179.01 178.56 1x9s h TRP 31 N 0.92 0.00 -3.92 0.92 5.08 -2.05 -3.47 115.95 113.43 1x9s h TRP 31 Ca 0.24 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.68 1x9s h TRP 31 Cb -0.05 0.00 0.08 0.00 -3.00 0.00 0.00 29.16 26.20 1x9s h TRP 31 CO 0.00 0.40 0.68 0.00 -1.28 0.00 0.00 178.44 178.24 1x9s h GLY 33 N 3.05 0.00 1.03 0.00 0.00 -1.89 -3.26 103.07 102.00 1x9s h GLY 33 Ca -0.50 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.96 1x9s h GLY 33 CO 0.64 0.00 0.36 -2.55 0.00 0.00 0.00 176.54 174.99 1x9s h PRO 34 N -1.00 0.08 0.52 4.80 0.11 -1.93 -2.30 132.00 132.27 1x9s h PRO 34 Ca -0.02 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1x9s h PRO 34 Cb 0.44 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1x9s h PRO 34 CO -0.01 0.05 -0.25 0.00 -0.21 0.00 0.00 178.00 177.58 1x9s h LYS 36 N -0.83 0.00 0.01 0.00 2.10 -1.47 -1.34 116.57 115.05 1x9s h LYS 36 Ca -0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1x9s h LYS 36 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1x9s h LYS 36 CO 0.12 0.00 -0.00 0.52 -2.00 0.00 0.00 179.45 178.08 1x9s h MET 37 N 0.00 -0.01 0.00 0.07 2.07 -0.99 -3.33 114.93 112.74 1x9s h MET 37 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1x9s h MET 37 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1x9s h MET 37 CO -0.00 0.77 0.00 1.51 1.07 0.00 0.00 176.91 180.26 1x9s n ILE 38 N -4.67 0.22 0.33 -1.22 3.06 -0.52 -3.92 119.36 112.64 1x9s n ILE 38 Ca -0.08 0.06 -0.17 0.00 -2.50 0.00 0.00 62.75 60.05 1x9s n ILE 38 Cb 0.38 -0.64 -0.09 0.00 0.54 0.00 0.00 39.64 39.84 1x9s n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1x9s h ALA 39 N 3.10 -0.88 -0.88 1.51 0.00 -1.38 -2.06 119.26 118.66 1x9s h ALA 39 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1x9s h ALA 39 Cb 0.29 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1x9s h ALA 39 CO 0.00 -1.01 0.55 -1.35 0.00 0.00 0.00 179.25 177.44 1x9s h PRO 40 N -0.87 0.97 -0.76 0.00 0.11 -1.78 -1.60 132.00 128.09 1x9s h PRO 40 Ca -0.07 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.11 1x9s h PRO 40 Cb 0.70 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 31.50 1x9s h PRO 40 CO 0.08 0.64 0.34 0.82 -0.21 0.00 0.00 178.00 179.67 1x9s h ILE 41 N 1.00 0.72 -0.76 4.15 5.03 -1.70 -1.69 117.51 124.26 1x9s h ILE 41 Ca 0.38 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.95 1x9s h ILE 41 Cb 0.17 0.16 -0.04 0.00 -3.03 0.00 0.00 36.82 34.09 1x9s h ILE 41 CO -0.17 0.09 0.48 -0.07 -0.68 0.00 0.00 178.15 177.80 1x9s h LEU 42 N 0.52 0.89 -0.59 1.44 3.38 -0.57 -1.23 115.31 119.15 1x9s h LEU 42 Ca 0.40 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1x9s h LEU 42 Cb 0.56 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1x9s h LEU 42 CO -0.36 0.67 0.36 0.44 0.09 0.00 0.00 178.44 179.64 1x9s h ASP 43 N 1.04 0.59 0.27 -0.43 3.32 -1.15 0.27 116.42 120.33 1x9s h ASP 43 Ca 0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1x9s h ASP 43 Cb -0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1x9s h ASP 43 CO -0.06 0.41 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.42 1x9s h GLU 44 N 0.71 -0.35 -0.80 3.56 5.08 -1.35 -2.18 114.58 119.26 1x9s h GLU 44 Ca 0.24 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.75 1x9s h GLU 44 Cb 0.01 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 1x9s h GLU 44 CO -0.10 -0.06 0.40 0.82 -1.00 0.00 0.00 179.01 179.07 1x9s h ILE 45 N -0.64 0.76 -0.29 3.13 1.08 -0.95 0.38 117.51 120.98 1x9s h ILE 45 Ca -0.04 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1x9s h ILE 45 Cb 0.46 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1x9s h ILE 45 CO 0.06 0.11 0.01 0.00 -0.69 0.00 0.00 178.15 177.64 1x9s h ALA 46 N 1.51 1.47 0.22 1.87 0.00 -0.41 -1.55 119.26 122.38 1x9s h ALA 46 Ca 0.42 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 1x9s h ALA 46 Cb 0.55 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1x9s h ALA 46 CO -0.33 0.38 -1.42 0.22 0.00 0.00 0.00 179.25 178.10 1x9s h ASP 47 N 0.43 0.76 0.57 0.00 1.82 -0.17 -3.11 116.42 116.72 1x9s h ASP 47 Ca 0.10 -0.81 -0.03 0.00 -0.39 0.00 0.00 57.03 55.90 1x9s h ASP 47 Cb 0.27 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.04 1x9s h ASP 47 CO 0.01 1.63 -0.27 -0.33 -1.61 0.00 0.00 179.24 178.66 1x9s h GLU 48 N 0.14 -0.74 -0.91 0.28 5.08 -0.21 -3.05 114.58 115.18 1x9s h GLU 48 Ca -0.23 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1x9s h GLU 48 Cb 2.12 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.53 1x9s h GLU 48 CO 0.26 -0.46 0.00 0.66 -1.00 0.00 0.00 179.01 178.47 1x9s n TYR 49 N -5.30 0.00 0.00 4.33 4.02 -0.60 -4.38 117.16 115.24 1x9s n TYR 49 Ca -0.10 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1x9s n TYR 49 Cb 0.32 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1x9s n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1x9s n GLN 50 N 0.18 0.00 -0.05 -0.72 7.27 -1.15 -1.67 117.38 121.23 1x9s n GLN 50 Ca 0.00 0.16 -0.07 0.00 0.07 0.00 0.00 57.00 57.16 1x9s n GLN 50 Cb 0.25 -1.69 -0.06 0.00 2.41 0.00 0.00 30.24 31.16 1x9s n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x9s n GLY 51 N -1.08 -0.23 1.42 1.69 0.00 -1.26 -4.77 105.19 100.96 1x9s n GLY 51 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1x9s n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x9s n LYS 52 N -2.70 2.53 0.00 1.61 2.85 -0.67 -5.02 118.16 116.76 1x9s n LYS 52 Ca -0.19 -3.62 0.00 0.00 -1.05 0.00 0.00 58.31 53.45 1x9s n LYS 52 Cb 0.73 -1.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1x9s n LYS 52 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1x9s n LEU 53 N -0.95 0.00 -4.26 -5.58 7.94 -0.91 -4.73 117.00 108.52 1x9s n LEU 53 Ca 0.36 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.94 1x9s n LEU 53 Cb 0.88 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.67 1x9s n LEU 53 CO 0.25 0.00 -0.56 -0.89 -1.11 0.00 0.00 177.39 175.08 1x9s s THR 54 N -1.50 2.08 -0.17 1.96 2.01 -1.01 -4.45 115.64 114.56 1x9s s THR 54 Ca 0.00 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 1x9s s THR 54 Cb 0.00 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1x9s s THR 54 CO 0.00 0.57 0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1x9s s VAL 55 N -0.01 4.64 -0.03 3.82 1.01 -1.26 -0.76 120.40 127.80 1x9s s VAL 55 Ca -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1x9s s VAL 55 Cb -0.15 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1x9s s VAL 55 CO 0.05 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 1x9s s ALA 56 N 0.25 0.92 -0.05 5.51 0.00 0.15 -0.69 121.76 127.85 1x9s s ALA 56 Ca 0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1x9s s ALA 56 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1x9s s ALA 56 CO 0.01 0.13 0.00 0.15 0.00 0.00 0.00 175.76 176.05 1x9s s LYS 57 N 0.30 2.90 -0.23 0.00 1.02 -0.11 -0.13 119.74 123.50 1x9s s LYS 57 Ca -0.05 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 1x9s s LYS 57 Cb -0.10 -2.74 0.07 0.00 -0.52 0.00 0.00 37.83 34.54 1x9s s LYS 57 CO 0.01 0.67 0.03 -1.17 -0.92 0.00 0.00 175.35 173.97 1x9s s LEU 58 N -1.17 1.62 -0.42 3.17 2.96 0.01 -1.05 118.68 123.80 1x9s s LEU 58 Ca 0.16 -1.05 -0.29 0.00 -0.22 0.00 0.00 54.13 52.73 1x9s s LEU 58 Cb -0.11 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.85 1x9s s LEU 58 CO 0.06 -0.32 1.32 0.21 -1.32 0.00 0.00 176.35 176.30 1x9s s ASN 59 N 1.74 6.46 0.00 3.68 3.84 -1.26 -2.04 114.94 127.36 1x9s s ASN 59 Ca 0.00 0.76 0.11 0.00 0.21 0.00 0.00 52.86 53.94 1x9s s ASN 59 Cb -0.17 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.47 1x9s s ASN 59 CO -0.12 -1.34 1.30 2.30 -2.79 0.00 0.00 177.10 176.45 1x9s n ILE 60 N 6.91 1.07 0.01 -5.21 -5.35 -0.65 -1.47 119.36 114.67 1x9s n ILE 60 Ca 0.15 0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.79 1x9s n ILE 60 Cb 0.48 -1.09 -0.14 0.00 -1.74 0.00 0.00 39.64 37.16 1x9s n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1x9s h ASP 61 N 0.00 0.10 0.83 7.28 3.32 -1.91 -3.01 116.42 123.03 1x9s h ASP 61 Ca 0.00 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 1x9s h ASP 61 Cb 0.15 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1x9s h ASP 61 CO 0.00 1.14 -1.25 1.56 -1.72 0.00 0.00 179.24 178.96 1x9s h GLN 62 N 0.02 0.00 -2.36 3.56 4.20 -1.90 -3.39 115.11 115.22 1x9s h GLN 62 Ca -0.22 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.90 1x9s h GLN 62 Cb 1.96 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.33 1x9s h GLN 62 CO 0.11 0.24 -0.76 0.09 -0.67 0.00 0.00 178.83 177.83 1x9s n ASN 63 N -2.87 2.19 0.00 1.46 3.02 -0.54 -4.87 115.26 113.64 1x9s n ASN 63 Ca -0.07 -3.07 0.10 0.00 -0.03 0.00 0.00 54.58 51.51 1x9s n ASN 63 Cb 0.77 -0.67 0.49 0.00 -0.61 0.00 0.00 39.78 39.76 1x9s n ASN 63 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1x9s n PRO 64 N 1.48 0.18 0.02 3.52 -0.04 -1.14 -3.99 135.00 135.04 1x9s n PRO 64 Ca 0.26 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.81 1x9s n PRO 64 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1x9s n PRO 64 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1x9s h GLY 65 N 3.48 0.00 0.00 0.55 0.00 -1.92 -3.43 103.07 101.75 1x9s h GLY 65 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x9s h GLY 65 CO 0.00 0.00 -0.02 -0.84 0.00 0.00 0.00 176.54 175.68 1x9s h THR 66 N 0.00 1.32 -0.94 4.70 2.02 -1.93 -3.38 112.91 114.69 1x9s h THR 66 Ca -0.18 -2.00 0.27 0.00 0.77 0.00 0.00 66.41 65.26 1x9s h THR 66 Cb 1.66 2.50 -0.14 0.00 -1.74 0.00 0.00 68.15 70.44 1x9s h THR 66 CO 0.05 0.45 0.43 0.00 0.37 0.00 0.00 175.52 176.82 1x9s h ALA 67 N -0.27 1.62 -0.46 6.16 0.00 -1.82 -0.76 119.26 123.73 1x9s h ALA 67 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1x9s h ALA 67 Cb 0.75 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1x9s h ALA 67 CO -0.00 -0.46 0.31 -1.35 0.00 0.00 0.00 179.25 177.75 1x9s h PRO 68 N 0.33 0.44 0.00 0.00 0.11 -1.82 -1.42 132.00 129.63 1x9s h PRO 68 Ca 0.63 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1x9s h PRO 68 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1x9s h PRO 68 CO -0.59 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 179.11 1x9s n LYS 69 N -4.48 0.09 -0.06 1.05 5.02 -0.29 -2.13 118.16 117.35 1x9s n LYS 69 Ca 0.06 0.46 0.02 0.00 -2.02 0.00 0.00 58.31 56.83 1x9s n LYS 69 Cb 0.20 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1x9s n LYS 69 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1x9s n TYR 70 N -1.89 0.17 -1.71 2.13 4.01 -0.54 -4.99 117.16 114.32 1x9s n TYR 70 Ca 0.01 -0.47 -0.15 0.00 -0.16 0.00 0.00 57.90 57.13 1x9s n TYR 70 Cb 0.11 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1x9s n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x9s n GLY 71 N -0.09 0.93 3.56 2.72 0.00 -0.91 -4.90 105.19 106.49 1x9s n GLY 71 Ca 0.04 -0.31 -0.56 0.00 0.00 0.00 0.00 46.02 45.20 1x9s n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x9s n ILE 72 N -3.06 0.01 -0.47 -0.61 2.08 -1.18 -4.81 119.36 111.32 1x9s n ILE 72 Ca -0.16 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1x9s n ILE 72 Cb 0.53 -0.44 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 1x9s n ILE 72 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1x9s n ARG 73 N 2.16 -0.14 -3.55 0.38 3.00 -1.26 -4.94 116.66 112.31 1x9s n ARG 73 Ca 0.20 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.85 57.69 1x9s n ARG 73 Cb 0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 32.46 31.84 1x9s n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x9s s GLY 74 N -0.04 -0.39 0.08 -0.13 0.00 -1.26 -5.18 107.32 100.39 1x9s s GLY 74 Ca 0.00 1.66 0.04 0.00 0.00 0.00 0.00 44.72 46.42 1x9s s GLY 74 CO 0.00 0.91 -0.11 -0.26 0.00 0.00 0.00 173.10 173.64 1x9s s ILE 75 N -1.42 0.96 0.32 0.90 -4.36 -1.26 -3.84 121.20 112.51 1x9s s ILE 75 Ca -0.04 -1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 58.64 1x9s s ILE 75 Cb -0.00 -1.14 -0.09 0.00 1.25 0.00 0.00 42.46 42.47 1x9s s ILE 75 CO 0.03 -0.40 1.11 -2.16 0.24 0.00 0.00 174.94 173.76 1x9s s PRO 76 N -2.20 4.44 -0.16 0.37 0.04 -1.26 -4.63 135.00 131.60 1x9s s PRO 76 Ca 0.00 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1x9s s PRO 76 Cb -0.07 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 1x9s s PRO 76 CO 0.01 0.04 -0.07 0.99 0.04 0.00 0.00 177.00 178.02 1x9s s THR 77 N -1.30 3.52 -0.27 1.26 2.01 -0.87 -1.28 115.64 118.72 1x9s s THR 77 Ca 0.49 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1x9s s THR 77 Cb -0.30 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1x9s s THR 77 CO 0.39 0.48 0.13 -0.76 -0.69 0.00 0.00 174.62 174.17 1x9s s LEU 78 N 0.64 3.75 -0.15 4.42 1.43 -0.09 -1.15 118.68 127.53 1x9s s LEU 78 Ca -0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1x9s s LEU 78 Cb -0.15 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1x9s s LEU 78 CO 0.02 -0.04 -0.16 -0.76 0.23 0.00 0.00 176.35 175.65 1x9s s LEU 79 N 1.69 2.47 -0.33 1.79 1.02 0.58 -2.09 118.68 123.80 1x9s s LEU 79 Ca 0.07 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.63 1x9s s LEU 79 Cb -0.16 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 1x9s s LEU 79 CO 0.08 0.09 0.22 -0.22 0.02 0.00 0.00 176.35 176.54 1x9s s LEU 80 N 0.76 4.41 -0.10 1.79 0.20 0.14 0.59 118.68 126.47 1x9s s LEU 80 Ca -0.06 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.28 1x9s s LEU 80 Cb -0.15 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1x9s s LEU 80 CO 0.01 -0.22 0.05 -0.36 -0.29 0.00 0.00 176.35 175.54 1x9s s PHE 81 N 1.69 3.32 -0.19 5.38 0.40 0.62 0.11 117.98 129.32 1x9s s PHE 81 Ca 0.06 0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1x9s s PHE 81 Cb -0.17 -1.85 0.06 0.00 0.51 0.00 0.00 43.02 41.57 1x9s s PHE 81 CO 0.09 0.55 0.06 0.15 0.70 0.00 0.00 175.22 176.78 1x9s s LYS 82 N -0.90 0.38 -1.29 0.44 3.01 -0.52 -1.39 119.74 119.47 1x9s s LYS 82 Ca 0.14 -0.29 -0.03 0.00 -1.01 0.00 0.00 55.97 54.78 1x9s s LYS 82 Cb -0.12 -1.97 0.01 0.00 -1.01 0.00 0.00 37.83 34.75 1x9s s LYS 82 CO 0.03 -0.67 0.94 0.09 0.51 0.00 0.00 175.35 176.25 1x9s n ASN 83 N 5.15 -2.85 -0.38 2.83 4.13 -1.26 -2.98 115.26 119.90 1x9s n ASN 83 Ca -0.08 -0.68 -0.05 0.00 1.68 0.00 0.00 54.58 55.45 1x9s n ASN 83 Cb 0.48 -4.67 -0.02 0.00 -1.54 0.00 0.00 39.78 34.02 1x9s n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x9s n GLY 84 N -1.48 0.76 3.19 7.41 0.00 -1.03 -5.00 105.19 109.04 1x9s n GLY 84 Ca -0.20 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1x9s n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x9s s GLU 85 N -2.11 0.90 -0.56 1.61 0.41 -1.16 -4.90 118.70 112.89 1x9s s GLU 85 Ca 0.00 -1.28 -0.26 0.00 -0.41 0.00 0.00 54.97 53.02 1x9s s GLU 85 Cb 0.00 -0.47 0.04 0.00 -1.78 0.00 0.00 34.13 31.92 1x9s s GLU 85 CO 0.00 0.05 1.03 0.08 -0.49 0.00 0.00 175.26 175.93 1x9s s VAL 86 N -2.98 4.26 -0.06 2.63 1.01 -1.26 -1.43 120.40 122.57 1x9s s VAL 86 Ca 0.10 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1x9s s VAL 86 Cb 0.01 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1x9s s VAL 86 CO -0.01 -1.18 0.44 0.00 0.00 0.00 0.00 175.10 174.35 1x9s h ALA 87 N 9.38 -0.38 -2.96 5.51 0.00 0.49 -3.48 119.26 127.82 1x9s h ALA 87 Ca -0.26 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1x9s h ALA 87 Cb 1.07 0.15 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1x9s h ALA 87 CO 1.12 -0.36 -0.74 0.00 0.00 0.00 0.00 179.25 179.28 1x9s s ALA 88 N -3.51 0.90 -0.07 0.00 0.00 -1.18 -5.00 121.76 112.89 1x9s s ALA 88 Ca -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1x9s s ALA 88 Cb 0.01 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1x9s s ALA 88 CO 0.17 -0.02 0.18 -0.08 0.00 0.00 0.00 175.76 176.01 1x9s s THR 89 N -1.96 -0.03 -0.05 0.00 -1.32 -1.26 -0.68 115.64 110.34 1x9s s THR 89 Ca -0.01 0.11 -0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1x9s s THR 89 Cb -0.06 -0.27 0.02 0.00 -1.51 0.00 0.00 72.50 70.68 1x9s s THR 89 CO 0.00 0.05 0.12 -0.54 -2.21 0.00 0.00 174.62 172.04 1x9s s LYS 90 N 0.84 0.12 0.13 7.08 1.02 -0.89 -5.03 119.74 123.01 1x9s s LYS 90 Ca -0.06 0.23 0.04 0.00 0.02 0.00 0.00 55.97 56.20 1x9s s LYS 90 Cb -0.08 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 1x9s s LYS 90 CO -0.05 -0.07 0.09 0.08 -0.92 0.00 0.00 175.35 174.48 1x9s s VAL 91 N 0.45 4.37 0.00 3.17 1.01 -1.26 -0.91 120.40 127.23 1x9s s VAL 91 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1x9s s VAL 91 Cb -0.05 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1x9s s VAL 91 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1x9s n GLY 92 N 0.08 2.01 3.46 4.51 0.00 -0.40 -4.83 105.19 110.02 1x9s n GLY 92 Ca -0.09 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1x9s n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9s n ALA 93 N 1.89 1.77 -0.44 4.61 0.00 -1.26 -4.83 120.51 122.25 1x9s n ALA 93 Ca 0.00 -2.92 -0.29 0.00 0.00 0.00 0.00 53.44 50.24 1x9s n ALA 93 Cb 0.00 -3.52 0.27 0.00 0.00 0.00 0.00 19.45 16.20 1x9s n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x9s s LEU 94 N 8.82 0.08 0.29 0.00 1.43 -1.26 -4.88 118.68 123.17 1x9s s LEU 94 Ca 0.68 1.32 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1x9s s LEU 94 Cb 0.04 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 1x9s s LEU 94 CO 0.16 -4.70 0.43 -0.94 0.23 0.00 0.00 176.35 171.53 1x9s s SER 95 N -2.62 6.13 0.41 2.29 1.04 -1.26 -4.80 113.70 114.88 1x9s s SER 95 Ca 0.69 -0.05 0.22 0.00 0.48 0.00 0.00 55.95 57.28 1x9s s SER 95 Cb -0.22 -1.53 1.21 0.00 0.10 0.00 0.00 66.02 65.58 1x9s s SER 95 CO 0.63 -0.27 1.72 0.50 0.98 0.00 0.00 173.24 176.80 1x9s h LYS 96 N 1.00 0.28 0.01 4.02 1.63 -1.95 0.78 116.57 122.35 1x9s h LYS 96 Ca -0.49 -0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.03 1x9s h LYS 96 Cb 1.24 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 1x9s h LYS 96 CO 0.57 0.19 -1.52 0.78 -3.45 0.00 0.00 179.45 176.02 1x9s h GLY 97 N 0.29 0.02 1.63 5.01 0.00 -1.99 -3.07 103.07 104.95 1x9s h GLY 97 Ca 0.67 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.84 1x9s h GLY 97 CO -0.34 0.04 -0.36 1.46 0.00 0.00 0.00 176.54 177.34 1x9s h GLN 98 N 0.00 0.42 -0.06 4.80 4.20 -1.32 -1.63 115.11 121.52 1x9s h GLN 98 Ca -0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 1x9s h GLN 98 Cb 1.95 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 1x9s h GLN 98 CO 0.10 0.73 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.88 1x9s h LEU 99 N 0.36 0.14 -0.89 1.46 3.38 -1.07 -1.45 115.31 117.23 1x9s h LEU 99 Ca 0.04 -0.42 0.17 0.00 0.09 0.00 0.00 57.88 57.76 1x9s h LEU 99 Cb 0.80 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 1x9s h LEU 99 CO 0.06 0.53 0.46 0.11 0.09 0.00 0.00 178.44 179.70 1x9s h LYS 100 N -0.25 0.58 0.35 1.13 1.57 -1.41 0.48 116.57 119.03 1x9s h LYS 100 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1x9s h LYS 100 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1x9s h LYS 100 CO 0.01 0.39 -0.17 0.93 -0.57 0.00 0.00 179.45 180.04 1x9s h GLU 101 N 0.60 -0.45 -0.75 3.15 5.08 -1.16 -0.01 114.58 121.04 1x9s h GLU 101 Ca 0.51 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 59.03 1x9s h GLU 101 Cb 0.80 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.07 1x9s h GLU 101 CO -0.41 -0.16 0.31 0.35 -1.00 0.00 0.00 179.01 178.11 1x9s h PHE 102 N -0.72 0.54 0.21 4.33 3.57 -0.13 0.25 116.94 124.99 1x9s h PHE 102 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1x9s h PHE 102 Cb 0.50 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1x9s h PHE 102 CO 0.01 0.10 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.01 1x9s h LEU 103 N 0.48 -0.24 -1.27 0.59 3.38 -0.02 -1.81 115.31 116.41 1x9s h LEU 103 Ca 0.40 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.65 1x9s h LEU 103 Cb 0.58 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1x9s h LEU 103 CO -0.38 -0.12 0.66 0.44 0.09 0.00 0.00 178.44 179.13 1x9s h ASP 104 N -0.39 0.50 1.27 -0.43 3.32 -0.90 0.76 116.42 120.55 1x9s h ASP 104 Ca -0.03 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1x9s h ASP 104 Cb 0.22 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1x9s h ASP 104 CO 0.05 0.08 -0.34 0.00 -1.72 0.00 0.00 179.24 177.31 1x9s h ALA 105 N 1.65 0.87 0.00 3.45 0.00 -0.53 -3.34 119.26 121.36 1x9s h ALA 105 Ca 0.62 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.94 1x9s h ALA 105 Cb 1.47 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1x9s h ALA 105 CO -0.35 0.42 -2.06 0.09 0.00 0.00 0.00 179.25 177.35 1x9s n ASN 106 N -3.30 1.36 0.00 0.00 3.02 0.42 -5.06 115.26 111.70 1x9s n ASN 106 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1x9s n ASN 106 Cb 0.58 0.75 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1x9s n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82