#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ohb s VAL 1 N 0.00 0.26 0.33 3.17 1.01 -1.26 -5.06 120.40 118.85 2ohb s VAL 1 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2ohb s VAL 1 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 2ohb s VAL 1 CO 0.00 0.14 0.76 -0.76 0.00 0.00 0.00 175.10 175.24 2ohb s LEU 2 N 0.73 4.06 0.68 3.92 1.02 -1.26 -5.07 118.68 122.76 2ohb s LEU 2 Ca -0.08 1.34 -0.09 0.00 0.02 0.00 0.00 54.13 55.32 2ohb s LEU 2 Cb -0.11 -4.11 0.02 0.00 0.02 0.00 0.00 46.19 42.01 2ohb s LEU 2 CO -0.01 -0.21 1.03 -0.94 0.02 0.00 0.00 176.35 176.24 2ohb s SER 3 N -2.22 5.35 0.33 2.29 1.04 -1.26 -4.89 113.70 114.33 2ohb s SER 3 Ca 0.55 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.89 2ohb s SER 3 Cb -0.10 -1.72 0.56 0.00 0.10 0.00 0.00 66.02 64.86 2ohb s SER 3 CO 0.17 -1.33 1.95 -0.08 0.98 0.00 0.00 173.24 174.93 2ohb h GLU 4 N -0.53 0.82 -0.69 4.02 4.57 -1.99 -1.50 114.58 119.28 2ohb h GLU 4 Ca -0.45 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 2ohb h GLU 4 Cb 1.27 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2ohb h GLU 4 CO 0.63 0.61 0.33 0.78 -1.18 0.00 0.00 179.01 180.18 2ohb h GLY 5 N 0.90 1.05 1.03 1.92 0.00 -1.99 0.05 103.07 106.02 2ohb h GLY 5 Ca 0.21 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2ohb h GLY 5 CO -0.03 0.48 -0.29 0.83 0.00 0.00 0.00 176.54 177.52 2ohb h GLU 6 N 0.98 0.81 -0.39 4.80 5.08 -1.70 -2.67 114.58 121.49 2ohb h GLU 6 Ca 0.24 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2ohb h GLU 6 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2ohb h GLU 6 CO -0.03 1.04 0.01 -1.49 -1.00 0.00 0.00 179.01 177.54 2ohb h TRP 7 N 0.59 0.63 -0.75 4.33 4.06 -0.85 -2.26 115.95 121.70 2ohb h TRP 7 Ca 0.06 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 2ohb h TRP 7 Cb 0.86 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.81 2ohb h TRP 7 CO 0.07 0.60 0.29 1.96 -3.56 0.00 0.00 178.44 177.79 2ohb h GLN 8 N 0.58 1.12 -0.50 0.49 1.08 -0.81 0.46 115.11 117.54 2ohb h GLN 8 Ca 0.12 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 2ohb h GLN 8 Cb 0.35 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2ohb h GLN 8 CO 0.01 0.92 0.02 -0.07 -0.95 0.00 0.00 178.83 178.76 2ohb h LEU 9 N 1.09 0.84 -0.05 1.46 3.38 -1.12 -0.55 115.31 120.36 2ohb h LEU 9 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ohb h LEU 9 Cb 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ohb h LEU 9 CO -0.02 0.93 0.02 0.58 0.09 0.00 0.00 178.44 180.04 2ohb h VAL 10 N 0.73 1.16 0.00 1.22 2.07 -1.07 -2.84 116.25 117.52 2ohb h VAL 10 Ca 0.14 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2ohb h VAL 10 Cb 0.48 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2ohb h VAL 10 CO 0.02 0.13 -0.32 -0.07 0.02 0.00 0.00 177.57 177.36 2ohb h LEU 11 N -0.10 0.00 -0.23 2.57 3.38 -0.88 -1.95 115.31 118.10 2ohb h LEU 11 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2ohb h LEU 11 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2ohb h LEU 11 CO -0.00 0.32 -0.04 -0.74 0.09 0.00 0.00 178.44 178.07 2ohb h HIS 12 N 0.00 0.48 0.00 1.13 2.76 -0.98 -1.56 115.15 116.98 2ohb h HIS 12 Ca -0.00 -0.10 -0.14 0.00 -2.20 0.00 0.00 60.37 57.93 2ohb h HIS 12 Cb 0.81 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2ohb h HIS 12 CO 0.00 0.64 -0.69 -0.24 -1.30 0.00 0.00 177.93 176.35 2ohb h VAL 13 N 0.18 1.50 -0.24 5.26 3.04 -1.43 -3.00 116.25 121.55 2ohb h VAL 13 Ca 0.06 -2.36 -0.06 0.00 -1.01 0.00 0.00 66.70 63.32 2ohb h VAL 13 Cb 0.48 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.02 2ohb h VAL 13 CO 0.02 0.68 -0.12 -0.25 -1.01 0.00 0.00 177.57 176.88 2ohb h TRP 14 N 0.00 0.42 -0.40 3.17 2.91 -1.20 -1.73 115.95 119.12 2ohb h TRP 14 Ca -0.01 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 59.96 2ohb h TRP 14 Cb 1.22 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.73 2ohb h TRP 14 CO 0.00 0.51 0.27 0.00 -1.03 0.00 0.00 178.44 178.19 2ohb h ALA 15 N 1.51 1.72 -0.14 2.65 0.00 -1.13 -0.46 119.26 123.41 2ohb h ALA 15 Ca 0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2ohb h ALA 15 Cb 0.44 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ohb h ALA 15 CO 0.03 0.25 -0.78 0.87 0.00 0.00 0.00 179.25 179.62 2ohb h LYS 16 N 0.54 0.73 -0.81 0.00 1.79 -1.39 -3.08 116.57 114.35 2ohb h LYS 16 Ca 0.15 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2ohb h LYS 16 Cb -0.05 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.69 2ohb h LYS 16 CO -0.03 1.21 0.52 0.28 -1.08 0.00 0.00 179.45 180.35 2ohb h VAL 17 N 0.50 1.21 0.00 0.50 2.07 -0.72 -2.07 116.25 117.73 2ohb h VAL 17 Ca -0.05 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2ohb h VAL 17 Cb 1.40 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2ohb h VAL 17 CO 0.16 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 2ohb n GLU 18 N -4.40 0.04 0.17 1.57 1.02 -0.29 -1.74 120.64 117.02 2ohb n GLU 18 Ca 0.09 0.29 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2ohb n GLU 18 Cb 0.04 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.38 2ohb n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ohb h ALA 19 N 2.39 1.00 -0.81 0.62 0.00 -1.41 -3.36 119.26 117.68 2ohb h ALA 19 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2ohb h ALA 19 Cb 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.71 2ohb h ALA 19 CO 0.00 0.00 -0.72 -3.47 0.00 0.00 0.00 179.25 175.06 2ohb n ASP 20 N -2.63 -1.82 -0.11 0.00 4.64 -0.71 -5.02 116.55 110.91 2ohb n ASP 20 Ca 0.03 -3.05 -0.09 0.00 -1.38 0.00 0.00 54.79 50.31 2ohb n ASP 20 Cb 0.38 0.92 -0.01 0.00 -1.04 0.00 0.00 41.12 41.37 2ohb n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 2ohb h VAL 21 N 2.82 1.12 -0.48 5.18 2.07 -1.71 -2.22 116.25 123.03 2ohb h VAL 21 Ca -0.05 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2ohb h VAL 21 Cb 0.98 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2ohb h VAL 21 CO 0.36 0.12 0.31 0.00 0.02 0.00 0.00 177.57 178.37 2ohb h ALA 22 N 1.09 0.60 -0.50 1.67 0.00 -1.91 -0.18 119.26 120.03 2ohb h ALA 22 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ohb h ALA 22 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2ohb h ALA 22 CO -0.02 0.03 0.23 0.78 0.00 0.00 0.00 179.25 180.26 2ohb h GLY 23 N 0.62 0.79 1.26 0.00 0.00 -1.93 -1.63 103.07 102.18 2ohb h GLY 23 Ca 0.18 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2ohb h GLY 23 CO -0.05 0.38 -0.21 0.45 0.00 0.00 0.00 176.54 177.11 2ohb h HIS 24 N 0.67 0.97 -0.74 5.60 3.86 -1.23 -1.83 115.15 122.44 2ohb h HIS 24 Ca 0.17 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2ohb h HIS 24 Cb 0.15 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2ohb h HIS 24 CO -0.00 0.98 0.46 0.78 0.86 0.00 0.00 177.93 181.00 2ohb h GLY 25 N 0.94 1.07 0.85 2.45 0.00 -0.81 -1.12 103.07 106.45 2ohb h GLY 25 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2ohb h GLY 25 CO 0.06 0.42 -0.11 -1.61 0.00 0.00 0.00 176.54 175.30 2ohb h GLN 26 N 1.01 -0.30 -0.58 4.80 4.15 -1.14 -2.30 115.11 120.75 2ohb h GLN 26 Ca 0.27 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.78 2ohb h GLN 26 Cb -0.05 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 2ohb h GLN 26 CO -0.05 -0.08 0.26 -0.44 -1.93 0.00 0.00 178.83 176.58 2ohb h ASP 27 N -0.47 0.32 -0.30 -0.69 3.32 -1.12 -1.49 116.42 115.99 2ohb h ASP 27 Ca -0.03 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2ohb h ASP 27 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2ohb h ASP 27 CO 0.05 0.21 0.03 0.40 -1.72 0.00 0.00 179.24 178.21 2ohb h ILE 28 N 0.48 1.24 -0.54 0.35 2.04 -1.19 -0.56 117.51 119.34 2ohb h ILE 28 Ca 0.28 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2ohb h ILE 28 Cb 0.27 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2ohb h ILE 28 CO -0.24 0.28 0.11 -0.07 0.00 0.00 0.00 178.15 178.24 2ohb h LEU 29 N 0.33 0.84 -0.66 1.44 3.38 -1.22 -1.18 115.31 118.23 2ohb h LEU 29 Ca 0.09 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2ohb h LEU 29 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2ohb h LEU 29 CO 0.01 0.87 0.15 0.40 0.09 0.00 0.00 178.44 179.96 2ohb h ILE 30 N 0.77 1.26 -0.60 1.22 2.04 -1.23 -1.62 117.51 119.36 2ohb h ILE 30 Ca 0.17 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2ohb h ILE 30 Cb 0.37 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2ohb h ILE 30 CO 0.01 0.36 0.38 -0.09 0.00 0.00 0.00 178.15 178.81 2ohb h ARG 31 N 0.98 0.80 -0.09 2.37 9.65 -0.83 -0.97 114.38 126.29 2ohb h ARG 31 Ca 0.20 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2ohb h ARG 31 Cb 0.38 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2ohb h ARG 31 CO 0.00 0.55 0.02 1.25 2.80 0.00 0.00 179.97 184.60 2ohb h LEU 32 N 0.81 0.02 -1.10 3.80 5.85 -0.88 -1.31 115.31 122.50 2ohb h LEU 32 Ca 0.22 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 2ohb h LEU 32 Cb -0.06 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2ohb h LEU 32 CO -0.04 0.03 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.72 2ohb h PHE 33 N 0.07 0.55 -0.16 1.25 0.04 -1.04 0.33 116.94 117.98 2ohb h PHE 33 Ca 0.04 -0.08 -0.22 0.00 2.80 0.00 0.00 57.97 60.51 2ohb h PHE 33 Cb 0.02 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.03 2ohb h PHE 33 CO -0.10 0.61 -0.76 0.87 -0.60 0.00 0.00 178.31 178.33 2ohb h LYS 34 N 0.48 0.77 -0.05 1.51 1.57 -1.00 -2.41 116.57 117.44 2ohb h LYS 34 Ca 0.09 -0.62 -0.25 0.00 -1.87 0.00 0.00 60.65 58.00 2ohb h LYS 34 Cb 0.47 0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.92 2ohb h LYS 34 CO 0.03 1.23 -0.95 0.77 -0.57 0.00 0.00 179.45 179.95 2ohb h SER 35 N 0.53 0.93 -2.45 0.86 0.02 -1.10 -3.39 113.55 108.94 2ohb h SER 35 Ca -0.05 -0.69 -0.59 0.00 -0.84 0.00 0.00 61.79 59.62 2ohb h SER 35 Cb 1.38 -0.28 -0.39 0.00 0.14 0.00 0.00 62.40 63.25 2ohb h SER 35 CO 0.16 1.50 -0.87 1.41 -1.14 0.00 0.00 176.83 177.88 2ohb n HIS 36 N -3.88 0.55 -0.14 3.45 8.25 0.09 -4.98 115.22 118.56 2ohb n HIS 36 Ca -0.10 -3.66 0.28 0.00 -0.26 0.00 0.00 57.72 53.98 2ohb n HIS 36 Cb 0.84 -0.12 0.70 0.00 1.12 0.00 0.00 29.99 32.53 2ohb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2ohb h PRO 37 N 5.16 0.00 0.00 -0.41 0.11 -1.63 -0.58 132.00 134.65 2ohb h PRO 37 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2ohb h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2ohb h PRO 37 CO 0.51 0.00 -0.05 1.05 -0.21 0.00 0.00 178.00 179.30 2ohb h GLU 38 N 0.00 0.00 -0.02 1.05 9.09 -1.93 -2.14 114.58 120.63 2ohb h GLU 38 Ca 0.41 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.71 2ohb h GLU 38 Cb 1.86 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.95 2ohb h GLU 38 CO -0.00 0.05 -0.46 1.79 0.05 0.00 0.00 179.01 180.43 2ohb h THR 39 N 0.00 1.33 -0.01 -1.06 1.35 -1.44 -2.89 112.91 110.20 2ohb h THR 39 Ca -0.00 -1.61 -0.00 0.00 -0.55 0.00 0.00 66.41 64.25 2ohb h THR 39 Cb 0.30 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2ohb h THR 39 CO 0.01 0.46 -0.01 0.25 -0.25 0.00 0.00 175.52 175.98 2ohb h LEU 40 N 0.05 0.01 -2.46 3.87 5.85 -1.55 -1.82 115.31 119.25 2ohb h LEU 40 Ca -0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ohb h LEU 40 Cb 0.84 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2ohb h LEU 40 CO 0.06 0.02 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.83 2ohb h GLU 41 N 0.01 0.00 0.00 1.25 5.08 -1.63 -1.45 114.58 117.83 2ohb h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ohb h GLU 41 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ohb h GLU 41 CO 0.00 0.02 0.00 0.87 -1.00 0.00 0.00 179.01 178.90 2ohb h LYS 42 N 0.00 0.00 -3.64 2.33 1.79 -1.50 -3.39 116.57 112.17 2ohb h LYS 42 Ca -0.00 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.70 2ohb h LYS 42 Cb 0.07 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.43 2ohb h LYS 42 CO 0.00 0.00 0.10 -0.06 -1.08 0.00 0.00 179.45 178.41 2ohb s PHE 43 N -3.22 3.87 0.62 -1.35 0.08 -0.55 -4.87 117.98 112.56 2ohb s PHE 43 Ca 0.07 -2.46 0.30 0.00 0.12 0.00 0.00 56.93 54.96 2ohb s PHE 43 Cb 0.11 -3.64 1.67 0.00 -0.57 0.00 0.00 43.02 40.59 2ohb s PHE 43 CO 0.51 -0.92 2.03 -0.44 -0.10 0.00 0.00 175.22 176.30 2ohb h ASP 44 N 7.08 0.00 1.25 1.36 3.32 -1.82 0.36 116.42 127.98 2ohb h ASP 44 Ca 0.12 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2ohb h ASP 44 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2ohb h ASP 44 CO 0.83 0.00 -0.25 -0.09 -1.72 0.00 0.00 179.24 178.01 2ohb h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.93 -3.34 114.38 115.10 2ohb h ARG 45 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2ohb h ARG 45 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2ohb h ARG 45 CO -0.00 0.25 0.00 1.19 -1.51 0.00 0.00 179.97 179.90 2ohb n PHE 46 N -3.28 0.00 -0.11 2.20 0.99 0.95 -4.80 117.46 113.41 2ohb n PHE 46 Ca 0.01 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.73 2ohb n PHE 46 Cb 0.52 0.00 0.70 0.00 -1.00 0.00 0.00 39.48 39.70 2ohb n PHE 46 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 2ohb h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -0.75 -1.51 116.57 114.79 2ohb h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ohb h LYS 47 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ohb h LYS 47 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 179.45 180.00 2ohb h HIS 48 N 0.00 0.00 -2.45 -1.35 2.07 -1.86 -3.45 115.15 108.10 2ohb h HIS 48 Ca 0.37 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.36 2ohb h HIS 48 Cb 1.77 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.76 2ohb h HIS 48 CO 0.00 0.00 1.18 -0.51 -3.07 0.00 0.00 177.93 175.53 2ohb s LEU 49 N -6.17 4.40 -0.08 6.12 1.43 -0.57 -4.89 118.68 118.92 2ohb s LEU 49 Ca 0.06 2.58 0.16 0.00 -1.03 0.00 0.00 54.13 55.90 2ohb s LEU 49 Cb 0.06 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.51 2ohb s LEU 49 CO 0.65 -1.01 0.46 0.29 0.23 0.00 0.00 176.35 176.96 2ohb n LYS 50 N 7.19 0.65 -4.32 1.70 5.02 -1.26 -5.01 118.16 122.14 2ohb n LYS 50 Ca 0.19 0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2ohb n LYS 50 Cb 0.41 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 2ohb n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ohb s THR 51 N -2.68 0.81 0.35 -0.18 -4.23 -1.26 -5.03 115.64 103.42 2ohb s THR 51 Ca -0.07 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 2ohb s THR 51 Cb 0.08 -2.43 0.14 0.00 1.34 0.00 0.00 72.50 71.63 2ohb s THR 51 CO 0.83 -0.22 1.87 -0.08 -0.54 0.00 0.00 174.62 176.48 2ohb h GLU 52 N 2.46 0.39 -0.50 3.99 4.81 -1.99 -1.91 114.58 121.83 2ohb h GLU 52 Ca -0.38 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2ohb h GLU 52 Cb 1.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2ohb h GLU 52 CO 0.63 0.49 0.27 0.00 -0.73 0.00 0.00 179.01 179.68 2ohb h ALA 53 N 1.54 0.64 -0.36 2.92 0.00 -1.99 -0.33 119.26 121.67 2ohb h ALA 53 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2ohb h ALA 53 Cb 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ohb h ALA 53 CO 0.02 0.16 -0.15 0.93 0.00 0.00 0.00 179.25 180.22 2ohb h GLU 54 N 0.66 0.66 -0.42 0.00 5.08 -1.84 -2.45 114.58 116.27 2ohb h GLU 54 Ca 0.18 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2ohb h GLU 54 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2ohb h GLU 54 CO -0.03 0.78 0.03 0.52 -1.00 0.00 0.00 179.01 179.30 2ohb h MET 55 N 0.59 0.73 -0.07 2.33 2.86 -0.90 -2.17 114.93 118.30 2ohb h MET 55 Ca 0.10 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2ohb h MET 55 Cb 0.59 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2ohb h MET 55 CO 0.04 0.79 -0.13 0.87 1.06 0.00 0.00 176.91 179.54 2ohb h LYS 56 N 0.57 0.11 0.00 1.72 1.57 -0.90 -2.59 116.57 117.05 2ohb h LYS 56 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2ohb h LYS 56 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ohb h LYS 56 CO 0.02 0.25 -0.34 0.00 -0.57 0.00 0.00 179.45 178.80 2ohb n ALA 57 N -2.50 2.79 -2.31 3.86 0.00 -0.94 -4.83 120.51 116.58 2ohb n ALA 57 Ca -0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2ohb n ALA 57 Cb 0.23 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2ohb n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ohb s SER 58 N -3.84 6.50 0.32 0.00 0.15 -0.84 -4.86 113.70 111.12 2ohb s SER 58 Ca 0.10 1.24 0.12 0.00 0.70 0.00 0.00 55.95 58.11 2ohb s SER 58 Cb 0.15 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.44 2ohb s SER 58 CO 0.65 -1.22 1.70 -0.08 1.20 0.00 0.00 173.24 175.49 2ohb h GLU 59 N 10.08 0.00 -0.55 5.44 4.57 -1.88 -2.61 114.58 129.64 2ohb h GLU 59 Ca -0.29 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 2ohb h GLU 59 Cb 1.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2ohb h GLU 59 CO 1.04 0.51 0.10 0.22 -1.18 0.00 0.00 179.01 179.70 2ohb h ASP 60 N 0.00 0.85 -0.36 1.04 3.58 -1.96 -1.20 116.42 118.37 2ohb h ASP 60 Ca -0.01 -0.25 -0.14 0.00 0.42 0.00 0.00 57.03 57.06 2ohb h ASP 60 Cb 0.92 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2ohb h ASP 60 CO 0.07 0.89 -0.29 0.25 -2.88 0.00 0.00 179.24 177.27 2ohb h LEU 61 N 0.79 0.92 -0.71 2.28 5.85 -1.85 -2.36 115.31 120.23 2ohb h LEU 61 Ca 0.17 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2ohb h LEU 61 Cb 0.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2ohb h LEU 61 CO 0.01 1.14 0.23 0.50 -0.34 0.00 0.00 178.44 179.98 2ohb h LYS 62 N 0.75 1.09 -0.83 1.25 3.64 -1.26 -1.47 116.57 119.75 2ohb h LYS 62 Ca 0.09 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2ohb h LYS 62 Cb 0.85 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 2ohb h LYS 62 CO 0.07 0.93 0.43 -0.22 -2.27 0.00 0.00 179.45 178.40 2ohb h LYS 63 N 1.04 1.17 -0.47 1.90 3.64 -1.06 -2.06 116.57 120.72 2ohb h LYS 63 Ca 0.23 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2ohb h LYS 63 Cb 0.29 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2ohb h LYS 63 CO -0.01 0.88 -0.14 1.25 -2.27 0.00 0.00 179.45 179.16 2ohb h HIS 64 N 1.16 1.00 -0.99 1.91 2.76 -1.11 -2.37 115.15 117.51 2ohb h HIS 64 Ca 0.29 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2ohb h HIS 64 Cb 0.07 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 2ohb h HIS 64 CO 0.01 0.97 0.66 0.78 -1.30 0.00 0.00 177.93 179.04 2ohb h GLY 65 N 0.95 1.42 0.94 5.26 0.00 -0.75 0.14 103.07 111.03 2ohb h GLY 65 Ca 0.12 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2ohb h GLY 65 CO 0.05 0.47 0.04 -2.08 0.00 0.00 0.00 176.54 175.02 2ohb h VAL 66 N 1.31 1.25 -0.56 4.60 2.07 -1.15 -1.50 116.25 122.27 2ohb h VAL 66 Ca 0.38 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ohb h VAL 66 Cb -0.09 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2ohb h VAL 66 CO -0.10 0.32 0.35 0.74 0.02 0.00 0.00 177.57 178.90 2ohb h THR 67 N 0.54 1.16 -0.11 2.57 2.02 -0.88 -1.12 112.91 117.08 2ohb h THR 67 Ca 0.12 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2ohb h THR 67 Cb 0.42 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2ohb h THR 67 CO 0.01 0.16 0.02 0.58 0.37 0.00 0.00 175.52 176.66 2ohb h VAL 68 N 0.76 1.22 -0.09 3.16 2.07 -0.84 -2.28 116.25 120.25 2ohb h VAL 68 Ca 0.20 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 2ohb h VAL 68 Cb -0.04 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2ohb h VAL 68 CO -0.04 0.20 -0.33 -0.07 0.02 0.00 0.00 177.57 177.35 2ohb h LEU 69 N -0.06 0.16 -0.57 2.57 3.38 -1.21 -1.29 115.31 118.30 2ohb h LEU 69 Ca 0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2ohb h LEU 69 Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2ohb h LEU 69 CO 0.00 0.49 -0.12 0.74 0.09 0.00 0.00 178.44 179.65 2ohb h THR 70 N 0.14 1.27 -0.38 0.22 2.02 -1.13 0.97 112.91 116.02 2ohb h THR 70 Ca 0.02 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 65.83 2ohb h THR 70 Cb 0.65 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2ohb h THR 70 CO 0.05 0.45 -0.11 0.00 0.37 0.00 0.00 175.52 176.28 2ohb h ALA 71 N 0.94 0.52 -0.66 6.16 0.00 -1.06 -2.21 119.26 122.95 2ohb h ALA 71 Ca 0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ohb h ALA 71 Cb 0.69 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2ohb h ALA 71 CO 0.05 0.40 0.12 1.25 0.00 0.00 0.00 179.25 181.07 2ohb h LEU 72 N 0.54 1.04 -0.82 0.00 5.85 -1.11 -2.52 115.31 118.29 2ohb h LEU 72 Ca 0.09 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2ohb h LEU 72 Cb 0.63 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2ohb h LEU 72 CO 0.04 1.03 0.46 1.23 -0.34 0.00 0.00 178.44 180.86 2ohb h GLY 73 N 1.01 1.21 1.37 3.75 0.00 -0.69 -0.57 103.07 109.15 2ohb h GLY 73 Ca 0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2ohb h GLY 73 CO 0.01 0.52 0.11 0.00 0.00 0.00 0.00 176.54 177.18 2ohb h ALA 74 N 1.24 1.23 -0.09 3.60 0.00 -1.16 -1.70 119.26 122.39 2ohb h ALA 74 Ca 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ohb h ALA 74 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ohb h ALA 74 CO -0.05 0.53 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 2ohb h ILE 75 N 0.76 1.37 -0.89 0.00 2.04 -1.01 -3.18 117.51 116.61 2ohb h ILE 75 Ca 0.17 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.80 2ohb h ILE 75 Cb 0.30 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2ohb h ILE 75 CO -0.00 0.35 0.58 -0.07 0.00 0.00 0.00 178.15 179.02 2ohb h LEU 76 N -0.21 0.97 -0.49 1.44 3.38 -0.94 -1.73 115.31 117.72 2ohb h LEU 76 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ohb h LEU 76 Cb 0.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ohb h LEU 76 CO 0.02 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.52 2ohb n LYS 77 N -4.43 0.11 0.00 1.13 5.02 -0.66 -1.55 118.16 117.78 2ohb n LYS 77 Ca 0.11 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.94 2ohb n LYS 77 Cb 0.08 -1.73 0.55 0.00 -0.02 0.00 0.00 35.03 33.91 2ohb n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ohb n LYS 78 N -1.93 0.01 -4.00 1.97 4.76 -0.65 -4.95 118.16 113.37 2ohb n LYS 78 Ca 0.02 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.20 2ohb n LYS 78 Cb 0.16 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2ohb n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ohb n LYS 79 N -1.52 -3.17 0.00 1.97 5.02 -0.60 -2.00 118.16 117.85 2ohb n LYS 79 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2ohb n LYS 79 Cb 0.34 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 2ohb n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ohb n GLY 80 N -1.96 3.29 2.76 0.72 0.00 -1.26 -4.97 105.19 103.77 2ohb n GLY 80 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2ohb n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ohb n HIS 81 N -1.99 2.57 -0.80 1.61 8.25 -0.85 -4.71 115.22 119.31 2ohb n HIS 81 Ca 0.00 -2.61 0.08 0.00 -0.26 0.00 0.00 57.72 54.92 2ohb n HIS 81 Cb 0.00 -1.36 0.18 0.00 1.12 0.00 0.00 29.99 29.93 2ohb n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ohb n HIS 82 N 0.96 0.48 -0.28 4.41 1.44 -1.26 -4.78 115.22 116.19 2ohb n HIS 82 Ca 0.41 -0.82 0.05 0.00 -2.01 0.00 0.00 57.72 55.35 2ohb n HIS 82 Cb 0.29 -0.20 0.19 0.00 0.12 0.00 0.00 29.99 30.40 2ohb n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2ohb h GLU 83 N 1.08 0.58 -0.55 -1.40 4.81 -2.00 -0.80 114.58 116.30 2ohb h GLU 83 Ca 0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2ohb h GLU 83 Cb 1.11 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2ohb h GLU 83 CO 0.10 0.38 0.02 0.00 -0.73 0.00 0.00 179.01 178.78 2ohb h ALA 84 N 1.52 0.74 -0.04 2.92 0.00 -2.01 -2.80 119.26 119.59 2ohb h ALA 84 Ca 0.42 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2ohb h ALA 84 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ohb h ALA 84 CO -0.34 0.54 -0.59 0.93 0.00 0.00 0.00 179.25 179.80 2ohb h GLU 85 N 0.84 0.12 -0.05 0.00 3.07 -1.79 -3.28 114.58 113.48 2ohb h GLU 85 Ca 0.16 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 58.76 2ohb h GLU 85 Cb 0.51 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2ohb h GLU 85 CO 0.02 0.67 -0.73 1.25 -1.40 0.00 0.00 179.01 178.83 2ohb h LEU 86 N 0.09 0.36 0.08 1.33 5.85 -1.05 -3.36 115.31 118.62 2ohb h LEU 86 Ca -0.00 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2ohb h LEU 86 Cb 1.06 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2ohb h LEU 86 CO 0.08 0.97 -0.51 0.11 -0.34 0.00 0.00 178.44 178.76 2ohb h LYS 87 N 0.20 -0.67 -0.01 1.25 1.57 -1.56 -0.28 116.57 117.08 2ohb h LYS 87 Ca -0.03 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ohb h LYS 87 Cb 1.30 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2ohb h LYS 87 CO 0.12 -0.45 -0.15 -1.00 -0.57 0.00 0.00 179.45 177.40 2ohb h PRO 88 N -0.69 0.01 -0.19 3.15 0.13 -1.77 -1.72 132.00 130.92 2ohb h PRO 88 Ca -0.00 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2ohb h PRO 88 Cb 0.71 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2ohb h PRO 88 CO -0.30 0.17 -0.30 1.25 -0.23 0.00 0.00 178.00 178.59 2ohb h LEU 89 N 0.01 0.60 -0.73 1.56 7.12 -1.63 -1.76 115.31 120.48 2ohb h LEU 89 Ca 0.00 -0.53 -0.06 0.00 0.13 0.00 0.00 57.88 57.43 2ohb h LEU 89 Cb 0.28 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.21 2ohb h LEU 89 CO 0.02 1.01 0.23 0.00 -0.13 0.00 0.00 178.44 179.57 2ohb h ALA 90 N 0.61 0.96 -0.32 1.25 0.00 -0.79 -1.93 119.26 119.04 2ohb h ALA 90 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2ohb h ALA 90 Cb 0.88 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ohb h ALA 90 CO 0.07 0.64 -0.01 0.37 0.00 0.00 0.00 179.25 180.31 2ohb h GLN 91 N 1.08 0.57 -0.52 0.00 4.15 -1.25 -1.10 115.11 118.04 2ohb h GLN 91 Ca 0.24 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 2ohb h GLN 91 Cb 0.30 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2ohb h GLN 91 CO -0.01 0.71 -0.12 0.66 -1.93 0.00 0.00 178.83 178.15 2ohb h SER 92 N 0.37 0.99 1.15 -0.69 4.64 -1.24 -0.00 113.55 118.77 2ohb h SER 92 Ca 0.09 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 2ohb h SER 92 Cb 0.46 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2ohb h SER 92 CO 0.02 1.10 -0.43 0.45 -0.87 0.00 0.00 176.83 177.10 2ohb h HIS 93 N 0.87 0.00 0.06 4.77 3.86 -1.32 0.83 115.15 124.23 2ohb h HIS 93 Ca 0.13 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.11 2ohb h HIS 93 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2ohb h HIS 93 CO 0.04 0.43 -1.24 0.00 0.86 0.00 0.00 177.93 178.03 2ohb h ALA 94 N 1.57 0.20 0.12 2.45 0.00 -1.12 0.34 119.26 122.83 2ohb h ALA 94 Ca -0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 54.91 53.47 2ohb h ALA 94 Cb 1.12 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2ohb h ALA 94 CO 0.06 0.73 -1.93 1.15 0.00 0.00 0.00 179.25 179.25 2ohb h THR 95 N -0.59 0.69 0.00 0.00 2.02 -1.09 -3.31 112.91 110.64 2ohb h THR 95 Ca -0.29 -2.40 -0.21 0.00 0.77 0.00 0.00 66.41 64.28 2ohb h THR 95 Cb 1.54 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 70.46 2ohb h THR 95 CO -0.03 0.87 -1.36 1.17 0.37 0.00 0.00 175.52 176.53 2ohb n LYS 96 N -3.46 0.54 0.11 6.66 4.81 -0.31 -4.62 118.16 121.88 2ohb n LYS 96 Ca -0.29 0.45 0.05 0.00 -0.87 0.00 0.00 58.31 57.65 2ohb n LYS 96 Cb 1.05 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.47 2ohb n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ohb h HIS 97 N -1.00 0.00 -5.56 5.64 3.86 -1.06 -3.49 115.15 113.53 2ohb h HIS 97 Ca -0.31 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.78 2ohb h HIS 97 Cb 1.16 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.67 2ohb h HIS 97 CO -0.08 0.34 -0.31 1.63 0.86 0.00 0.00 177.93 180.36 2ohb n LYS 98 N -2.97 -1.50 -3.66 2.45 4.01 -0.10 -4.99 118.16 111.39 2ohb n LYS 98 Ca -0.02 1.25 -0.38 0.00 -0.51 0.00 0.00 58.31 58.65 2ohb n LYS 98 Cb 0.70 -5.36 -0.12 0.00 -0.51 0.00 0.00 35.03 29.74 2ohb n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ohb s ILE 99 N -3.10 4.57 0.58 -0.18 -1.09 0.10 -5.01 121.20 117.08 2ohb s ILE 99 Ca 0.11 -0.44 -0.19 0.00 -2.23 0.00 0.00 60.65 57.90 2ohb s ILE 99 Cb -0.02 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2ohb s ILE 99 CO 0.77 0.06 1.22 -2.84 -1.23 0.00 0.00 174.94 172.92 2ohb s PRO 100 N 1.61 3.03 0.55 2.79 0.02 -1.26 -4.80 135.00 136.94 2ohb s PRO 100 Ca 0.04 1.85 0.23 0.00 0.02 0.00 0.00 61.00 63.14 2ohb s PRO 100 Cb -0.17 -1.98 1.46 0.00 0.02 0.00 0.00 34.50 33.83 2ohb s PRO 100 CO 0.06 -1.16 2.12 0.82 -0.33 0.00 0.00 177.00 178.50 2ohb h ILE 101 N 0.98 0.76 -0.86 2.83 1.08 -1.73 -0.54 117.51 120.03 2ohb h ILE 101 Ca -0.50 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2ohb h ILE 101 Cb 1.30 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2ohb h ILE 101 CO 0.56 0.00 0.50 0.50 -0.69 0.00 0.00 178.15 179.02 2ohb h LYS 102 N 0.00 1.18 0.00 2.37 1.63 -1.91 -1.42 116.57 118.42 2ohb h LYS 102 Ca 0.08 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 2ohb h LYS 102 Cb 0.35 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2ohb h LYS 102 CO -0.00 0.84 -0.25 1.88 -3.45 0.00 0.00 179.45 178.47 2ohb h TYR 103 N 1.20 0.00 -0.01 1.91 0.99 -1.45 -2.21 116.97 117.40 2ohb h TYR 103 Ca 0.31 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.93 2ohb h TYR 103 Cb -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 2ohb h TYR 103 CO 0.01 0.25 -0.52 -0.07 -0.00 0.00 0.00 178.16 177.82 2ohb h LEU 104 N 0.00 0.03 -0.28 3.88 3.38 -1.18 -1.66 115.31 119.47 2ohb h LEU 104 Ca -0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2ohb h LEU 104 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ohb h LEU 104 CO 0.03 0.54 -0.56 -0.33 0.09 0.00 0.00 178.44 178.21 2ohb h GLU 105 N 0.02 0.87 -0.75 1.13 5.08 -1.10 -1.99 114.58 117.84 2ohb h GLU 105 Ca -0.00 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2ohb h GLU 105 Cb 0.93 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2ohb h GLU 105 CO 0.07 1.20 0.40 0.74 -1.00 0.00 0.00 179.01 180.41 2ohb h PHE 106 N 0.65 1.04 -0.43 4.33 0.05 -1.24 -1.68 116.94 119.65 2ohb h PHE 106 Ca 0.01 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 2ohb h PHE 106 Cb 1.17 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.77 2ohb h PHE 106 CO 0.08 0.73 0.23 2.35 -0.18 0.00 0.00 178.31 181.52 2ohb h TRP 107 N 1.06 0.60 -0.79 -0.55 2.91 -1.10 -1.87 115.95 116.21 2ohb h TRP 107 Ca 0.26 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 2ohb h TRP 107 Cb 0.05 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.47 2ohb h TRP 107 CO 0.01 0.47 0.41 0.77 -1.03 0.00 0.00 178.44 179.07 2ohb h SER 108 N 0.56 1.00 -0.61 2.65 0.02 -0.82 -2.36 113.55 114.00 2ohb h SER 108 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2ohb h SER 108 Cb 0.07 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2ohb h SER 108 CO -0.02 0.82 0.33 -0.08 -1.14 0.00 0.00 176.83 176.74 2ohb h GLU 109 N 1.12 0.85 -0.62 3.45 4.81 -0.96 -2.21 114.58 121.01 2ohb h GLU 109 Ca 0.28 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2ohb h GLU 109 Cb 0.06 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2ohb h GLU 109 CO -0.04 0.65 0.21 0.00 -0.73 0.00 0.00 179.01 179.10 2ohb h ALA 110 N 1.15 0.81 -0.29 2.92 0.00 -0.95 -1.52 119.26 121.38 2ohb h ALA 110 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ohb h ALA 110 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ohb h ALA 110 CO -0.03 0.46 0.11 0.82 0.00 0.00 0.00 179.25 180.60 2ohb h ILE 111 N 0.87 1.18 -0.90 0.00 2.04 -1.27 -2.19 117.51 117.25 2ohb h ILE 111 Ca 0.20 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2ohb h ILE 111 Cb 0.26 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2ohb h ILE 111 CO -0.01 0.19 0.49 0.40 0.00 0.00 0.00 178.15 179.23 2ohb h ILE 112 N 0.31 1.26 -0.36 -0.67 2.04 -1.27 -1.28 117.51 117.55 2ohb h ILE 112 Ca 0.09 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2ohb h ILE 112 Cb 0.20 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2ohb h ILE 112 CO -0.01 0.29 0.18 -0.74 0.00 0.00 0.00 178.15 177.87 2ohb h HIS 113 N 1.26 0.52 -0.50 1.37 2.76 -1.10 -1.54 115.15 117.92 2ohb h HIS 113 Ca 0.32 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2ohb h HIS 113 Cb 0.03 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2ohb h HIS 113 CO 0.01 0.44 -0.16 0.28 -1.30 0.00 0.00 177.93 177.20 2ohb h VAL 114 N 0.44 1.27 -0.58 5.26 2.07 -1.18 -1.92 116.25 121.61 2ohb h VAL 114 Ca 0.12 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 2ohb h VAL 114 Cb 0.11 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2ohb h VAL 114 CO -0.02 0.46 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 2ohb h LEU 115 N 0.85 0.98 -0.91 2.57 3.38 -1.15 -0.58 115.31 120.46 2ohb h LEU 115 Ca 0.12 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2ohb h LEU 115 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2ohb h LEU 115 CO 0.06 1.03 0.03 -0.74 0.09 0.00 0.00 178.44 178.90 2ohb h HIS 116 N 0.92 0.88 -0.14 1.13 2.76 -1.19 0.62 115.15 120.13 2ohb h HIS 116 Ca 0.17 -0.12 -0.17 0.00 -2.20 0.00 0.00 60.37 58.05 2ohb h HIS 116 Cb 0.53 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.25 2ohb h HIS 116 CO 0.03 0.79 -0.57 0.77 -1.30 0.00 0.00 177.93 177.66 2ohb h SER 117 N 0.78 0.75 0.90 3.26 0.02 -1.00 -3.25 113.55 115.01 2ohb h SER 117 Ca 0.15 -0.62 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 2ohb h SER 117 Cb 0.43 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2ohb h SER 117 CO 0.02 1.24 -1.15 0.03 -1.14 0.00 0.00 176.83 175.83 2ohb h ARG 118 N 0.30 0.00 -1.28 3.45 3.08 -1.06 -3.41 114.38 115.47 2ohb h ARG 118 Ca -0.03 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.56 2ohb h ARG 118 Cb 1.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.85 2ohb h ARG 118 CO 0.12 0.12 -1.01 0.72 -1.07 0.00 0.00 179.97 178.85 2ohb n HIS 119 N -2.78 2.03 -0.35 3.04 8.25 0.20 -4.94 115.22 120.67 2ohb n HIS 119 Ca -0.04 -3.00 0.13 0.00 -0.26 0.00 0.00 57.72 54.55 2ohb n HIS 119 Cb 0.67 -0.28 0.32 0.00 1.12 0.00 0.00 29.99 31.82 2ohb n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ohb h PRO 120 N 2.85 0.76 0.00 -0.41 0.13 -1.71 0.06 132.00 133.67 2ohb h PRO 120 Ca 0.06 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 2ohb h PRO 120 Cb 1.05 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2ohb h PRO 120 CO 0.64 0.50 -0.25 0.78 -0.23 0.00 0.00 178.00 179.44 2ohb h GLY 121 N 0.78 0.00 -1.47 1.56 0.00 -1.92 -2.86 103.07 99.16 2ohb h GLY 121 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2ohb h GLY 121 CO -0.37 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.87 2ohb n ASN 122 N -4.15 3.26 -3.00 0.19 3.02 -0.43 -4.62 115.26 109.53 2ohb n ASN 122 Ca -0.02 -2.25 -0.18 0.00 -0.03 0.00 0.00 54.58 52.09 2ohb n ASN 122 Cb 0.31 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 2ohb n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2ohb n PHE 123 N 0.34 1.29 -1.32 3.10 7.35 -0.12 -4.69 117.46 123.42 2ohb n PHE 123 Ca 0.15 -3.61 -0.11 0.00 -0.76 0.00 0.00 57.45 53.12 2ohb n PHE 123 Cb 0.56 -0.40 0.08 0.00 0.35 0.00 0.00 39.48 40.07 2ohb n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ohb n GLY 124 N 0.07 -1.34 0.19 7.13 0.00 -1.25 -4.62 105.19 105.36 2ohb n GLY 124 Ca 0.24 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 2ohb n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ohb h ALA 125 N -1.94 0.40 -0.50 4.61 0.00 -1.98 -0.41 119.26 119.43 2ohb h ALA 125 Ca -0.16 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ohb h ALA 125 Cb 0.45 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ohb h ALA 125 CO 0.11 -0.41 0.27 -0.44 0.00 0.00 0.00 179.25 178.79 2ohb h ASP 126 N 0.08 0.64 -0.39 0.00 3.45 -1.99 -1.34 116.42 116.87 2ohb h ASP 126 Ca 0.23 -0.10 -0.09 0.00 0.43 0.00 0.00 57.03 57.49 2ohb h ASP 126 Cb 0.35 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 2ohb h ASP 126 CO -0.41 0.56 -0.09 0.00 -1.57 0.00 0.00 179.24 177.73 2ohb h ALA 127 N 1.11 0.97 -0.38 3.45 0.00 -1.78 -1.76 119.26 120.88 2ohb h ALA 127 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2ohb h ALA 127 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ohb h ALA 127 CO -0.03 0.61 -0.21 0.37 0.00 0.00 0.00 179.25 179.99 2ohb h GLN 128 N 0.75 0.73 -0.72 0.00 4.15 -0.89 -1.28 115.11 117.85 2ohb h GLN 128 Ca 0.13 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 2ohb h GLN 128 Cb 0.58 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2ohb h GLN 128 CO 0.04 0.88 0.19 0.78 -1.93 0.00 0.00 178.83 178.79 2ohb h GLY 129 N 0.97 1.24 1.02 2.39 0.00 -0.97 -0.15 103.07 107.57 2ohb h GLY 129 Ca 0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 2ohb h GLY 129 CO 0.05 0.72 -0.00 0.00 0.00 0.00 0.00 176.54 177.30 2ohb h ALA 130 N 1.10 0.68 -0.56 3.60 0.00 -1.02 -1.57 119.26 121.49 2ohb h ALA 130 Ca 0.23 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2ohb h ALA 130 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ohb h ALA 130 CO 0.00 0.49 0.04 1.98 0.00 0.00 0.00 179.25 181.76 2ohb h MET 131 N 0.75 0.96 -0.76 0.00 -1.53 -1.02 -1.32 114.93 112.01 2ohb h MET 131 Ca 0.14 -0.29 -0.03 0.00 -3.44 0.00 0.00 59.70 56.09 2ohb h MET 131 Cb 0.52 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 2ohb h MET 131 CO 0.03 0.95 0.37 -0.97 0.14 0.00 0.00 176.91 177.43 2ohb h ASN 132 N 0.85 0.99 -0.68 1.39 -1.24 -0.90 -0.65 115.58 115.34 2ohb h ASN 132 Ca 0.16 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 2ohb h ASN 132 Cb 0.49 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2ohb h ASN 132 CO 0.02 0.84 0.24 0.50 -1.29 0.00 0.00 177.43 177.74 2ohb h LYS 133 N 1.07 1.04 -0.56 6.67 3.64 -1.01 0.12 116.57 127.53 2ohb h LYS 133 Ca 0.26 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2ohb h LYS 133 Cb 0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2ohb h LYS 133 CO -0.03 0.88 0.11 0.00 -2.27 0.00 0.00 179.45 178.14 2ohb h ALA 134 N 1.10 0.74 -0.05 5.00 0.00 -0.83 -1.00 119.26 124.22 2ohb h ALA 134 Ca 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2ohb h ALA 134 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ohb h ALA 134 CO -0.01 0.47 -0.59 -0.07 0.00 0.00 0.00 179.25 179.05 2ohb h LEU 135 N 0.82 0.20 -0.58 0.00 3.38 -0.86 -2.13 115.31 116.14 2ohb h LEU 135 Ca 0.17 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2ohb h LEU 135 Cb 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ohb h LEU 135 CO 0.01 0.74 -0.38 -0.33 0.09 0.00 0.00 178.44 178.58 2ohb h GLU 136 N 0.14 0.72 -0.20 1.13 5.08 -0.54 -1.04 114.58 119.87 2ohb h GLU 136 Ca -0.00 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2ohb h GLU 136 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2ohb h GLU 136 CO 0.09 0.98 0.12 1.25 -1.00 0.00 0.00 179.01 180.44 2ohb h LEU 137 N 0.60 0.24 -0.31 1.33 5.85 -0.98 0.13 115.31 122.17 2ohb h LEU 137 Ca 0.05 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2ohb h LEU 137 Cb 0.91 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2ohb h LEU 137 CO 0.08 0.21 0.18 0.15 -0.34 0.00 0.00 178.44 178.72 2ohb h PHE 138 N 0.24 0.33 -0.80 1.25 3.04 -1.24 -1.58 116.94 118.19 2ohb h PHE 138 Ca 0.07 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 2ohb h PHE 138 Cb 0.02 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 2ohb h PHE 138 CO -0.05 0.20 0.37 0.00 -2.02 0.00 0.00 178.31 176.80 2ohb h ARG 139 N 0.37 1.16 -0.47 1.11 3.08 -0.95 -0.94 114.38 117.73 2ohb h ARG 139 Ca 0.12 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2ohb h ARG 139 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2ohb h ARG 139 CO -0.06 0.91 0.23 -0.22 -1.07 0.00 0.00 179.97 179.76 2ohb h LYS 140 N 1.13 0.68 -0.34 0.04 3.64 -0.70 0.14 116.57 121.18 2ohb h LYS 140 Ca 0.27 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2ohb h LYS 140 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2ohb h LYS 140 CO -0.03 0.57 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.95 2ohb h ASP 141 N 0.62 0.78 -0.48 4.20 3.32 -1.08 -1.79 116.42 122.00 2ohb h ASP 141 Ca 0.16 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2ohb h ASP 141 Cb 0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2ohb h ASP 141 CO -0.02 1.05 -0.11 0.40 -1.72 0.00 0.00 179.24 178.83 2ohb h ILE 142 N 0.63 1.27 -0.78 0.35 1.08 -1.00 -1.96 117.51 117.09 2ohb h ILE 142 Ca 0.07 -1.25 -0.03 0.00 -0.39 0.00 0.00 64.86 63.26 2ohb h ILE 142 Cb 0.86 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 2ohb h ILE 142 CO 0.08 0.44 0.36 0.00 -0.69 0.00 0.00 178.15 178.33 2ohb h ALA 143 N 1.01 1.01 -0.70 1.87 0.00 -0.78 0.47 119.26 122.14 2ohb h ALA 143 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2ohb h ALA 143 Cb 0.66 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2ohb h ALA 143 CO 0.05 0.59 0.17 0.00 0.00 0.00 0.00 179.25 180.06 2ohb h ALA 144 N 1.19 0.97 -0.37 0.00 0.00 -1.10 -2.56 119.26 117.39 2ohb h ALA 144 Ca 0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2ohb h ALA 144 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ohb h ALA 144 CO -0.03 0.67 -0.30 0.87 0.00 0.00 0.00 179.25 180.46 2ohb h LYS 145 N 1.07 0.79 -0.50 0.00 1.79 -0.88 -2.68 116.57 116.15 2ohb h LYS 145 Ca 0.22 -0.36 0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2ohb h LYS 145 Cb 0.37 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 2ohb h LYS 145 CO 0.00 0.98 0.17 1.88 -1.08 0.00 0.00 179.45 181.40 2ohb h TYR 146 N 0.67 0.29 -0.45 -1.35 0.99 -0.59 -0.41 116.97 116.11 2ohb h TYR 146 Ca 0.08 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.84 2ohb h TYR 146 Cb 0.83 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.48 2ohb h TYR 146 CO 0.04 0.08 0.30 -0.22 -0.00 0.00 0.00 178.16 178.37 2ohb h LYS 147 N 0.33 0.59 -0.06 4.88 3.64 -1.32 -0.46 116.57 124.16 2ohb h LYS 147 Ca 0.24 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2ohb h LYS 147 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2ohb h LYS 147 CO -0.25 0.39 -0.17 0.93 -2.27 0.00 0.00 179.45 178.08 2ohb h GLU 148 N 0.61 0.10 -0.00 1.90 5.08 -1.06 -2.14 114.58 119.07 2ohb h GLU 148 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2ohb h GLU 148 Cb -0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2ohb h GLU 148 CO -0.04 0.27 -0.09 1.28 -1.00 0.00 0.00 179.01 179.43 2ohb n LEU 149 N -4.29 0.12 0.00 1.33 4.77 -0.22 -4.93 117.00 113.78 2ohb n LEU 149 Ca -0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2ohb n LEU 149 Cb 0.26 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2ohb n LEU 149 CO 0.37 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2ohb n GLY 150 N 1.45 0.81 3.31 -0.72 0.00 -0.77 -5.05 105.19 104.23 2ohb n GLY 150 Ca 0.08 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2ohb n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ohb s TYR 151 N -2.00 2.55 0.00 1.61 6.14 -0.25 -5.02 117.35 120.38 2ohb s TYR 151 Ca 0.00 -0.66 0.00 0.00 0.64 0.00 0.00 57.07 57.05 2ohb s TYR 151 Cb 0.00 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 40.72 2ohb s TYR 151 CO 0.00 -0.18 0.44 1.04 0.64 0.00 0.00 175.55 177.49 2ohb n GLN 152 N 3.01 0.00 0.00 4.97 6.02 -1.26 -3.49 117.38 126.63 2ohb n GLN 152 Ca -0.18 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2ohb n GLN 152 Cb 0.52 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.84 2ohb n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46