#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajh s LEU 2 N 0.00 3.94 0.75 7.52 1.02 -1.26 -5.04 118.68 125.61 1ajh s LEU 2 Ca 0.00 1.92 -0.08 0.00 0.02 0.00 0.00 54.13 55.98 1ajh s LEU 2 Cb 0.00 -4.45 0.08 0.00 0.02 0.00 0.00 46.19 41.84 1ajh s LEU 2 CO 0.00 -0.63 1.08 -0.94 0.02 0.00 0.00 176.35 175.88 1ajh s SER 3 N -1.90 4.58 0.26 2.29 1.04 -1.26 -4.88 113.70 113.83 1ajh s SER 3 Ca 0.64 0.47 -0.05 0.00 0.48 0.00 0.00 55.95 57.48 1ajh s SER 3 Cb -0.17 -1.02 0.29 0.00 0.10 0.00 0.00 66.02 65.23 1ajh s SER 3 CO 0.21 -1.78 1.88 -0.33 0.98 0.00 0.00 173.24 174.21 1ajh h GLU 4 N -0.78 1.18 -0.74 4.02 4.39 -1.99 -1.02 114.58 119.65 1ajh h GLU 4 Ca -0.44 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.14 1ajh h GLU 4 Cb 1.31 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 1ajh h GLU 4 CO 0.59 0.85 0.48 0.78 -1.16 0.00 0.00 179.01 180.55 1ajh h GLY 5 N 1.20 1.04 0.97 -3.84 0.00 -1.99 0.11 103.07 100.56 1ajh h GLY 5 Ca 0.30 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1ajh h GLY 5 CO -0.05 0.38 0.16 0.83 0.00 0.00 0.00 176.54 177.87 1ajh h GLU 6 N 1.00 0.78 -0.56 4.80 5.08 -1.73 -1.96 114.58 121.98 1ajh h GLU 6 Ca 0.27 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1ajh h GLU 6 Cb -0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1ajh h GLU 6 CO -0.06 0.72 0.25 -1.49 -1.00 0.00 0.00 179.01 177.44 1ajh h TRP 7 N 0.68 0.79 -0.52 4.33 -0.00 -0.58 -0.93 115.95 119.71 1ajh h TRP 7 Ca 0.16 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.93 1ajh h TRP 7 Cb 0.26 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.15 1ajh h TRP 7 CO 0.01 0.59 -0.04 0.37 -0.00 0.00 0.00 178.44 179.37 1ajh h GLN 8 N 0.79 0.92 -0.59 0.49 4.15 -0.54 -0.70 115.11 119.63 1ajh h GLN 8 Ca 0.19 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 1ajh h GLN 8 Cb 0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1ajh h GLN 8 CO -0.02 0.94 0.14 -0.07 -1.93 0.00 0.00 178.83 177.88 1ajh h LEU 9 N 0.84 0.91 0.17 -2.39 3.38 -0.55 -0.50 115.31 117.16 1ajh h LEU 9 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ajh h LEU 9 Cb 0.55 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ajh h LEU 9 CO 0.03 0.91 -0.08 0.58 0.09 0.00 0.00 178.44 179.98 1ajh h VAL 10 N 0.87 0.86 0.00 1.22 2.07 -0.84 -2.81 116.25 117.61 1ajh h VAL 10 Ca 0.19 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1ajh h VAL 10 Cb 0.36 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1ajh h VAL 10 CO 0.00 0.02 -0.34 -0.07 0.02 0.00 0.00 177.57 177.21 1ajh h LEU 11 N -0.26 0.00 -0.20 2.57 3.38 -1.07 -1.60 115.31 118.12 1ajh h LEU 11 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1ajh h LEU 11 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ajh h LEU 11 CO 0.04 0.34 0.00 -0.74 0.09 0.00 0.00 178.44 178.17 1ajh h HIS 12 N 0.00 0.38 -0.02 1.13 2.76 -1.03 0.19 115.15 118.56 1ajh h HIS 12 Ca -0.00 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 57.97 1ajh h HIS 12 Cb 0.99 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 1ajh h HIS 12 CO 0.00 0.54 -0.62 -0.24 -1.30 0.00 0.00 177.93 176.31 1ajh h VAL 13 N 0.11 1.43 -0.09 5.26 3.04 -1.40 -2.96 116.25 121.64 1ajh h VAL 13 Ca 0.06 -2.10 -0.08 0.00 -1.01 0.00 0.00 66.70 63.57 1ajh h VAL 13 Cb 0.39 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 1ajh h VAL 13 CO 0.01 0.60 -0.29 -0.25 -1.01 0.00 0.00 177.57 176.64 1ajh h TRP 14 N 0.04 0.19 -0.20 3.17 2.91 -1.10 -1.13 115.95 119.84 1ajh h TRP 14 Ca -0.01 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 1ajh h TRP 14 Cb 1.11 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1ajh h TRP 14 CO 0.01 0.45 0.03 0.00 -1.03 0.00 0.00 178.44 177.90 1ajh h ALA 15 N 1.56 1.70 -0.16 2.65 0.00 -0.79 -1.15 119.26 123.07 1ajh h ALA 15 Ca 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1ajh h ALA 15 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ajh h ALA 15 CO 0.04 0.23 -0.47 0.87 0.00 0.00 0.00 179.25 179.93 1ajh h LYS 16 N 0.28 0.40 -0.53 0.00 1.79 -1.22 -2.97 116.57 114.32 1ajh h LYS 16 Ca 0.07 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 1ajh h LYS 16 Cb 0.13 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1ajh h LYS 16 CO -0.00 0.79 0.09 0.28 -1.08 0.00 0.00 179.45 179.53 1ajh h VAL 17 N 0.32 1.23 0.00 0.50 2.07 -0.65 -2.97 116.25 116.75 1ajh h VAL 17 Ca 0.02 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1ajh h VAL 17 Cb 0.95 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ajh h VAL 17 CO 0.08 0.32 0.00 -0.08 0.02 0.00 0.00 177.57 177.92 1ajh h GLU 18 N 0.79 0.00 0.00 1.57 4.57 -1.26 -1.60 114.58 118.65 1ajh h GLU 18 Ca 0.17 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1ajh h GLU 18 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ajh h GLU 18 CO 0.01 0.00 -0.32 0.00 -1.18 0.00 0.00 179.01 177.51 1ajh h ALA 19 N 1.99 1.04 -0.84 2.92 0.00 -1.62 -3.35 119.26 119.40 1ajh h ALA 19 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 54.91 54.25 1ajh h ALA 19 Cb 0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 17.50 1ajh h ALA 19 CO 0.00 0.41 -0.75 -3.47 0.00 0.00 0.00 179.25 175.44 1ajh n ASP 20 N -3.54 -1.60 -0.29 0.00 2.03 -0.64 -4.99 116.55 107.52 1ajh n ASP 20 Ca -0.00 -3.07 -0.06 0.00 0.52 0.00 0.00 54.79 52.18 1ajh n ASP 20 Cb 0.47 0.81 0.06 0.00 -0.72 0.00 0.00 41.12 41.74 1ajh n ASP 20 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ajh h VAL 21 N 2.56 1.26 -0.27 5.18 -1.51 -1.60 -2.25 116.25 119.63 1ajh h VAL 21 Ca -0.06 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.56 1ajh h VAL 21 Cb 0.97 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1ajh h VAL 21 CO 0.38 0.34 0.11 0.00 -1.23 0.00 0.00 177.57 177.18 1ajh h ALA 22 N 1.16 0.34 -0.71 5.19 0.00 -1.89 -0.07 119.26 123.29 1ajh h ALA 22 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ajh h ALA 22 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ajh h ALA 22 CO -0.02 -0.07 0.24 0.78 0.00 0.00 0.00 179.25 180.18 1ajh h GLY 23 N 0.28 1.15 0.99 0.00 0.00 -1.92 -1.74 103.07 101.85 1ajh h GLY 23 Ca 0.09 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1ajh h GLY 23 CO -0.01 0.61 0.04 0.45 0.00 0.00 0.00 176.54 177.64 1ajh h HIS 24 N 1.04 0.91 -0.52 5.60 3.86 -1.22 -2.21 115.15 122.60 1ajh h HIS 24 Ca 0.23 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ajh h HIS 24 Cb 0.26 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1ajh h HIS 24 CO 0.02 0.84 0.24 0.78 0.86 0.00 0.00 177.93 180.67 1ajh h GLY 25 N 0.71 0.82 0.94 2.45 0.00 -0.65 -0.34 103.07 107.00 1ajh h GLY 25 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1ajh h GLY 25 CO 0.02 0.40 0.14 1.46 0.00 0.00 0.00 176.54 178.55 1ajh h GLN 26 N 0.70 0.63 -0.62 4.80 4.20 -1.29 -0.78 115.11 122.75 1ajh h GLN 26 Ca 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1ajh h GLN 26 Cb 0.15 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1ajh h GLN 26 CO -0.02 0.62 0.32 -0.44 -0.67 0.00 0.00 178.83 178.64 1ajh h ASP 27 N 0.52 0.80 -0.08 1.46 3.32 -1.12 -0.66 116.42 120.65 1ajh h ASP 27 Ca 0.13 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ajh h ASP 27 Cb 0.24 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ajh h ASP 27 CO -0.01 0.68 -0.00 0.40 -1.72 0.00 0.00 179.24 178.59 1ajh h ILE 28 N 0.85 1.26 -0.60 0.35 2.04 -0.88 -0.62 117.51 119.91 1ajh h ILE 28 Ca 0.22 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 1ajh h ILE 28 Cb 0.08 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1ajh h ILE 28 CO -0.03 0.23 0.02 -0.07 0.00 0.00 0.00 178.15 178.29 1ajh h LEU 29 N -0.15 1.01 -0.58 1.44 3.38 -1.07 0.31 115.31 119.65 1ajh h LEU 29 Ca 0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1ajh h LEU 29 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ajh h LEU 29 CO 0.00 1.05 0.13 0.40 0.09 0.00 0.00 178.44 180.11 1ajh h ILE 30 N 0.95 1.25 -0.52 1.22 2.04 -1.12 0.12 117.51 121.46 1ajh h ILE 30 Ca 0.17 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1ajh h ILE 30 Cb 0.53 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1ajh h ILE 30 CO 0.03 0.34 0.20 -0.09 0.00 0.00 0.00 178.15 178.63 1ajh h ARG 31 N 0.84 0.78 -0.26 2.37 2.43 -0.83 -0.03 114.38 119.68 1ajh h ARG 31 Ca 0.18 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1ajh h ARG 31 Cb 0.37 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1ajh h ARG 31 CO 0.00 0.69 0.16 1.25 -1.51 0.00 0.00 179.97 180.57 1ajh h LEU 32 N 0.70 0.28 -0.62 3.80 5.85 -0.56 -0.12 115.31 124.64 1ajh h LEU 32 Ca 0.17 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1ajh h LEU 32 Cb 0.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ajh h LEU 32 CO -0.01 0.20 0.02 -0.26 -0.34 0.00 0.00 178.44 178.04 1ajh h PHE 33 N 0.34 1.18 -0.11 1.25 0.04 -0.50 -0.86 116.94 118.28 1ajh h PHE 33 Ca 0.10 -0.20 -0.12 0.00 2.80 0.00 0.00 57.97 60.54 1ajh h PHE 33 Cb -0.03 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1ajh h PHE 33 CO -0.07 1.03 -0.42 0.87 -0.60 0.00 0.00 178.31 179.13 1ajh h LYS 34 N 0.99 0.47 -0.00 1.51 1.79 -0.85 -2.81 116.57 117.67 1ajh h LYS 34 Ca 0.18 -0.36 -0.15 0.00 -2.18 0.00 0.00 60.65 58.14 1ajh h LYS 34 Cb 0.55 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1ajh h LYS 34 CO 0.03 0.99 -0.69 0.77 -1.08 0.00 0.00 179.45 179.47 1ajh h SER 35 N 0.05 0.02 -2.41 0.86 0.02 -1.00 -3.38 113.55 107.72 1ajh h SER 35 Ca -0.02 -0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 60.32 1ajh h SER 35 Cb 1.05 -0.01 -0.38 0.00 0.14 0.00 0.00 62.40 63.20 1ajh h SER 35 CO 0.09 0.70 -0.95 -1.00 -1.14 0.00 0.00 176.83 174.53 1ajh s HIS 36 N -3.46 1.25 0.57 3.45 3.76 -0.33 -5.00 115.29 115.52 1ajh s HIS 36 Ca -0.01 -2.40 0.29 0.00 -0.15 0.00 0.00 55.06 52.79 1ajh s HIS 36 Cb 0.12 -1.03 1.48 0.00 1.11 0.00 0.00 32.58 34.25 1ajh s HIS 36 CO 0.78 -0.81 1.93 -1.35 -0.85 0.00 0.00 174.74 174.44 1ajh h PRO 37 N 5.62 0.00 0.00 8.40 0.11 -1.68 0.02 132.00 144.46 1ajh h PRO 37 Ca 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1ajh h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ajh h PRO 37 CO 0.39 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.21 1ajh h GLU 38 N 0.00 0.00 -0.32 1.05 9.09 -1.93 -2.53 114.58 119.95 1ajh h GLU 38 Ca 0.25 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.50 1ajh h GLU 38 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1ajh h GLU 38 CO -0.00 0.03 -0.44 1.79 0.05 0.00 0.00 179.01 180.44 1ajh h THR 39 N 0.00 1.28 -0.37 -1.06 1.35 -1.30 -2.97 112.91 109.84 1ajh h THR 39 Ca -0.00 -1.62 -0.03 0.00 -0.55 0.00 0.00 66.41 64.20 1ajh h THR 39 Cb 0.09 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1ajh h THR 39 CO 0.00 0.53 0.09 0.25 -0.25 0.00 0.00 175.52 176.14 1ajh h LEU 40 N 0.66 0.50 -2.62 3.87 5.85 -1.60 -2.00 115.31 119.96 1ajh h LEU 40 Ca 0.04 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ajh h LEU 40 Cb 1.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1ajh h LEU 40 CO 0.10 0.50 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.61 1ajh h GLU 41 N 0.53 0.00 0.00 1.25 4.57 -1.50 -0.64 114.58 118.79 1ajh h GLU 41 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1ajh h GLU 41 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1ajh h GLU 41 CO -0.00 0.01 0.00 1.63 -1.18 0.00 0.00 179.01 179.47 1ajh n LYS 42 N -3.51 0.03 -3.58 1.92 4.76 -0.75 -4.55 118.16 112.48 1ajh n LYS 42 Ca -0.03 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.11 1ajh n LYS 42 Cb 0.09 -1.53 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 1ajh n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ajh s PHE 43 N -3.02 3.45 0.43 2.13 0.40 -0.25 -4.88 117.98 116.25 1ajh s PHE 43 Ca 0.11 -1.97 0.13 0.00 -0.60 0.00 0.00 56.93 54.60 1ajh s PHE 43 Cb 0.15 -3.47 0.95 0.00 0.51 0.00 0.00 43.02 41.17 1ajh s PHE 43 CO 0.45 -0.99 1.98 -0.44 0.70 0.00 0.00 175.22 176.92 1ajh h ASP 44 N 8.36 0.07 -0.01 1.36 3.32 -1.82 0.20 116.42 127.89 1ajh h ASP 44 Ca -0.19 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1ajh h ASP 44 Cb 1.07 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1ajh h ASP 44 CO 0.84 0.23 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.46 1ajh h ARG 45 N 0.07 0.13 0.00 3.56 2.43 -1.93 -3.32 114.38 115.32 1ajh h ARG 45 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ajh h ARG 45 Cb 0.32 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ajh h ARG 45 CO 0.02 0.18 0.00 1.19 -1.51 0.00 0.00 179.97 179.85 1ajh n PHE 46 N -4.42 0.00 0.15 2.20 3.72 -0.61 -4.78 117.46 113.71 1ajh n PHE 46 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1ajh n PHE 46 Cb 0.16 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.79 1ajh n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1ajh n LYS 47 N -0.31 0.00 0.11 -1.08 2.85 0.61 -1.22 118.16 119.13 1ajh n LYS 47 Ca 0.00 0.43 0.13 0.00 -1.05 0.00 0.00 58.31 57.81 1ajh n LYS 47 Cb 0.03 -1.50 0.45 0.00 -0.65 0.00 0.00 35.03 33.36 1ajh n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1ajh n HIS 48 N -1.50 0.85 -2.60 5.58 1.44 -1.26 -4.72 115.22 113.01 1ajh n HIS 48 Ca 0.01 0.28 -0.42 0.00 -2.01 0.00 0.00 57.72 55.58 1ajh n HIS 48 Cb 0.05 -0.96 -0.03 0.00 0.12 0.00 0.00 29.99 29.17 1ajh n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ajh s LEU 49 N -4.46 4.25 -0.02 2.39 1.43 -0.35 -4.91 118.68 117.01 1ajh s LEU 49 Ca 0.08 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1ajh s LEU 49 Cb 0.11 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1ajh s LEU 49 CO 0.50 -0.51 0.15 0.29 0.23 0.00 0.00 176.35 177.01 1ajh n LYS 50 N 5.18 0.59 -4.39 1.70 5.02 -1.26 -5.01 118.16 119.98 1ajh n LYS 50 Ca 0.10 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1ajh n LYS 50 Cb 0.48 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 1ajh n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ajh s THR 51 N -2.47 1.36 0.24 -0.18 -4.23 -1.26 -5.03 115.64 104.06 1ajh s THR 51 Ca -0.03 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1ajh s THR 51 Cb 0.04 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.47 1ajh s THR 51 CO 0.31 -0.27 1.66 -0.08 -0.54 0.00 0.00 174.62 175.70 1ajh h GLU 52 N 2.33 0.62 -0.66 3.99 4.81 -1.99 -1.55 114.58 122.13 1ajh h GLU 52 Ca -0.39 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 1ajh h GLU 52 Cb 1.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1ajh h GLU 52 CO 0.67 0.83 0.37 0.00 -0.73 0.00 0.00 179.01 180.15 1ajh h ALA 53 N 1.17 0.84 -0.53 2.92 0.00 -1.98 0.23 119.26 121.91 1ajh h ALA 53 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ajh h ALA 53 Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ajh h ALA 53 CO 0.06 0.34 0.24 0.93 0.00 0.00 0.00 179.25 180.82 1ajh h GLU 54 N 0.90 0.77 -0.47 0.00 5.08 -1.90 -1.37 114.58 117.59 1ajh h GLU 54 Ca 0.23 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ajh h GLU 54 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1ajh h GLU 54 CO -0.04 0.65 0.28 0.52 -1.00 0.00 0.00 179.01 179.42 1ajh h MET 55 N 0.71 0.64 0.00 2.33 2.86 -0.56 -2.03 114.93 118.89 1ajh h MET 55 Ca 0.18 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1ajh h MET 55 Cb 0.14 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1ajh h MET 55 CO -0.02 0.48 -0.12 0.87 1.06 0.00 0.00 176.91 179.18 1ajh h LYS 56 N 0.62 0.00 0.00 1.72 1.57 -0.27 -2.41 116.57 117.81 1ajh h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ajh h LYS 56 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ajh h LYS 56 CO -0.03 0.12 -0.58 0.00 -0.57 0.00 0.00 179.45 178.39 1ajh h ALA 57 N 1.88 0.65 -2.11 3.86 0.00 -0.70 -3.46 119.26 119.38 1ajh h ALA 57 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1ajh h ALA 57 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ajh h ALA 57 CO 0.02 0.00 1.01 0.45 0.00 0.00 0.00 179.25 180.72 1ajh s SER 58 N -4.72 6.70 0.15 0.00 0.15 -0.81 -4.89 113.70 110.28 1ajh s SER 58 Ca 0.05 1.71 0.01 0.00 0.70 0.00 0.00 55.95 58.42 1ajh s SER 58 Cb 0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1ajh s SER 58 CO 0.72 -0.97 1.35 -0.08 1.20 0.00 0.00 173.24 175.46 1ajh h GLU 59 N 9.29 0.23 -0.28 5.44 4.57 -1.89 -2.67 114.58 129.27 1ajh h GLU 59 Ca -0.31 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 57.52 1ajh h GLU 59 Cb 1.13 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1ajh h GLU 59 CO 0.98 0.99 -0.21 0.22 -1.18 0.00 0.00 179.01 179.81 1ajh h ASP 60 N 0.13 0.51 -0.37 1.04 3.58 -1.97 -0.13 116.42 119.21 1ajh h ASP 60 Ca -0.05 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1ajh h ASP 60 Cb 1.54 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1ajh h ASP 60 CO 0.14 0.73 0.03 0.25 -2.88 0.00 0.00 179.24 177.51 1ajh h LEU 61 N 0.46 0.61 -0.91 2.28 6.46 -1.86 -1.02 115.31 121.32 1ajh h LEU 61 Ca 0.07 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1ajh h LEU 61 Cb 0.62 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1ajh h LEU 61 CO 0.04 0.74 0.56 0.50 -0.62 0.00 0.00 178.44 179.66 1ajh h LYS 62 N 0.46 1.23 -0.69 1.25 3.64 -1.11 0.30 116.57 121.64 1ajh h LYS 62 Ca 0.11 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ajh h LYS 62 Cb 0.41 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1ajh h LYS 62 CO 0.01 0.85 0.35 -0.22 -2.27 0.00 0.00 179.45 178.17 1ajh h LYS 63 N 1.25 0.98 -0.17 1.90 3.64 -0.73 -2.23 116.57 121.20 1ajh h LYS 63 Ca 0.33 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 1ajh h LYS 63 Cb -0.07 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1ajh h LYS 63 CO -0.06 0.76 -0.55 1.25 -2.27 0.00 0.00 179.45 178.57 1ajh h HIS 64 N 0.95 0.65 -0.84 1.91 2.76 -0.45 -2.27 115.15 117.86 1ajh h HIS 64 Ca 0.24 -0.23 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1ajh h HIS 64 Cb 0.09 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 28.87 1ajh h HIS 64 CO 0.00 0.96 0.55 0.78 -1.30 0.00 0.00 177.93 178.91 1ajh h GLY 65 N 1.10 1.18 1.20 5.26 0.00 -0.62 0.15 103.07 111.35 1ajh h GLY 65 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1ajh h GLY 65 CO 0.10 0.25 -0.36 -2.08 0.00 0.00 0.00 176.54 174.45 1ajh h VAL 66 N 0.90 1.28 -0.34 4.60 2.07 -1.02 -0.89 116.25 122.85 1ajh h VAL 66 Ca 0.37 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1ajh h VAL 66 Cb 0.27 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ajh h VAL 66 CO -0.14 0.51 0.21 0.74 0.02 0.00 0.00 177.57 178.92 1ajh h THR 67 N 0.72 1.07 -0.14 2.57 2.02 -0.59 -0.47 112.91 118.09 1ajh h THR 67 Ca 0.07 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1ajh h THR 67 Cb 0.94 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1ajh h THR 67 CO 0.09 0.08 0.07 0.58 0.37 0.00 0.00 175.52 176.70 1ajh h VAL 68 N 0.44 1.12 -0.02 3.16 2.07 -0.58 -2.25 116.25 120.19 1ajh h VAL 68 Ca 0.13 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1ajh h VAL 68 Cb -0.03 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1ajh h VAL 68 CO -0.04 0.11 -0.45 -0.07 0.02 0.00 0.00 177.57 177.14 1ajh h LEU 69 N 0.10 0.04 -0.38 2.57 3.38 -1.04 -1.42 115.31 118.55 1ajh h LEU 69 Ca 0.05 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1ajh h LEU 69 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ajh h LEU 69 CO -0.01 0.49 -0.19 0.74 0.09 0.00 0.00 178.44 179.57 1ajh h THR 70 N 0.03 1.28 -0.41 0.22 2.02 -0.96 0.14 112.91 115.23 1ajh h THR 70 Ca -0.00 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 1ajh h THR 70 Cb 0.82 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1ajh h THR 70 CO 0.06 0.44 0.08 0.00 0.37 0.00 0.00 175.52 176.46 1ajh h ALA 71 N 0.80 0.54 -0.54 6.16 0.00 -1.20 -2.04 119.26 122.98 1ajh h ALA 71 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ajh h ALA 71 Cb 0.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ajh h ALA 71 CO 0.06 0.25 -0.06 1.25 0.00 0.00 0.00 179.25 180.75 1ajh h LEU 72 N 0.53 0.99 -0.79 0.00 5.85 -1.15 -2.23 115.31 118.50 1ajh h LEU 72 Ca 0.13 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1ajh h LEU 72 Cb 0.36 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1ajh h LEU 72 CO 0.01 1.08 0.29 1.23 -0.34 0.00 0.00 178.44 180.72 1ajh h GLY 73 N 0.87 1.28 1.50 3.75 0.00 -0.61 0.33 103.07 110.20 1ajh h GLY 73 Ca 0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1ajh h GLY 73 CO 0.04 0.67 0.07 0.00 0.00 0.00 0.00 176.54 177.33 1ajh h ALA 74 N 1.16 1.36 0.18 3.60 0.00 -1.26 -1.23 119.26 123.07 1ajh h ALA 74 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ajh h ALA 74 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ajh h ALA 74 CO -0.02 0.46 -0.08 0.82 0.00 0.00 0.00 179.25 180.42 1ajh h ILE 75 N 0.61 0.94 -1.01 0.00 2.04 -0.73 -3.21 117.51 116.16 1ajh h ILE 75 Ca 0.14 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.35 1ajh h ILE 75 Cb 0.27 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1ajh h ILE 75 CO 0.00 0.17 0.63 -0.07 0.00 0.00 0.00 178.15 178.89 1ajh h LEU 76 N -0.63 0.94 -0.65 1.44 3.38 -0.71 -1.51 115.31 117.57 1ajh h LEU 76 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ajh h LEU 76 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ajh h LEU 76 CO 0.04 0.50 0.00 0.29 0.09 0.00 0.00 178.44 179.36 1ajh n LYS 77 N -4.61 0.14 0.01 1.13 5.02 -0.48 -1.13 118.16 118.23 1ajh n LYS 77 Ca 0.19 0.43 0.13 0.00 -2.02 0.00 0.00 58.31 57.04 1ajh n LYS 77 Cb 0.35 -1.80 0.43 0.00 -0.02 0.00 0.00 35.03 33.99 1ajh n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ajh n LYS 78 N -2.07 0.03 -3.89 1.97 4.76 -0.57 -4.95 118.16 113.45 1ajh n LYS 78 Ca 0.02 0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.19 1ajh n LYS 78 Cb 0.18 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1ajh n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ajh n LYS 79 N -1.57 -2.59 0.00 1.97 5.02 -0.29 -1.23 118.16 119.48 1ajh n LYS 79 Ca 0.06 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1ajh n LYS 79 Cb 0.35 -4.31 0.00 0.00 -0.02 0.00 0.00 35.03 31.05 1ajh n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ajh n GLY 80 N -1.92 3.05 2.48 0.72 0.00 -1.26 -4.91 105.19 103.36 1ajh n GLY 80 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1ajh n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ajh n HIS 81 N -0.79 2.51 -1.06 1.61 8.25 -0.37 -4.54 115.22 120.83 1ajh n HIS 81 Ca 0.00 -2.74 0.06 0.00 -0.26 0.00 0.00 57.72 54.78 1ajh n HIS 81 Cb 0.00 -1.78 0.26 0.00 1.12 0.00 0.00 29.99 29.60 1ajh n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ajh n HIS 82 N 1.59 1.14 -0.17 4.41 1.44 -1.26 -4.74 115.22 117.63 1ajh n HIS 82 Ca 0.61 -1.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.28 1ajh n HIS 82 Cb 0.27 -0.38 0.03 0.00 0.12 0.00 0.00 29.99 30.03 1ajh n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1ajh h GLU 83 N 1.86 -0.09 -0.14 -1.40 3.07 -1.99 -0.29 114.58 115.60 1ajh h GLU 83 Ca 0.05 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1ajh h GLU 83 Cb 1.58 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.50 1ajh h GLU 83 CO 0.30 -0.06 -0.21 0.00 -1.40 0.00 0.00 179.01 177.64 1ajh h ALA 84 N 1.29 1.38 0.13 3.43 0.00 -2.00 -2.27 119.26 121.22 1ajh h ALA 84 Ca 0.25 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1ajh h ALA 84 Cb 0.48 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ajh h ALA 84 CO -0.59 0.43 -1.23 0.93 0.00 0.00 0.00 179.25 178.79 1ajh h GLU 85 N 0.23 0.44 -0.03 0.00 3.07 -1.78 -3.34 114.58 113.16 1ajh h GLU 85 Ca 0.04 -0.64 -0.13 0.00 -0.50 0.00 0.00 59.36 58.12 1ajh h GLU 85 Cb 0.51 0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1ajh h GLU 85 CO 0.03 1.28 -0.60 1.25 -1.40 0.00 0.00 179.01 179.57 1ajh h LEU 86 N 0.17 0.12 0.24 1.33 6.46 -0.91 -3.33 115.31 119.38 1ajh h LEU 86 Ca -0.16 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1ajh h LEU 86 Cb 1.92 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.79 1ajh h LEU 86 CO 0.22 0.69 -0.28 0.11 -0.62 0.00 0.00 178.44 178.56 1ajh h LYS 87 N 0.08 -0.54 -0.79 1.25 1.57 -1.53 0.16 116.57 116.76 1ajh h LYS 87 Ca -0.01 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ajh h LYS 87 Cb 1.08 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1ajh h LYS 87 CO 0.09 -0.36 0.47 -1.35 -0.57 0.00 0.00 179.45 177.73 1ajh h PRO 88 N -0.56 1.08 0.07 3.15 0.11 -1.76 -1.83 132.00 132.26 1ajh h PRO 88 Ca -0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ajh h PRO 88 Cb 0.53 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1ajh h PRO 88 CO -0.08 0.77 -0.04 1.25 -0.21 0.00 0.00 178.00 179.69 1ajh h LEU 89 N 1.09 -0.08 -0.52 2.35 5.85 -1.62 -1.23 115.31 121.14 1ajh h LEU 89 Ca 0.28 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ajh h LEU 89 Cb -0.03 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1ajh h LEU 89 CO -0.05 -0.03 0.27 0.00 -0.34 0.00 0.00 178.44 178.29 1ajh h ALA 90 N 0.79 0.67 -0.18 1.25 0.00 -0.91 -0.13 119.26 120.75 1ajh h ALA 90 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ajh h ALA 90 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ajh h ALA 90 CO 0.02 0.21 0.05 1.96 0.00 0.00 0.00 179.25 181.49 1ajh h GLN 91 N 0.70 0.13 -0.39 0.00 4.20 -1.19 0.37 115.11 118.93 1ajh h GLN 91 Ca 0.18 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 1ajh h GLN 91 Cb 0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ajh h GLN 91 CO -0.03 0.08 -0.37 0.66 -0.67 0.00 0.00 178.83 178.51 1ajh h SER 92 N 0.13 0.98 0.21 1.46 4.64 -1.09 -1.66 113.55 118.21 1ajh h SER 92 Ca 0.08 -0.44 -0.16 0.00 -0.47 0.00 0.00 61.79 60.80 1ajh h SER 92 Cb 0.06 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1ajh h SER 92 CO -0.09 1.23 -0.60 0.45 -0.87 0.00 0.00 176.83 176.95 1ajh h HIS 93 N 0.75 0.49 0.09 4.77 3.86 -0.83 0.33 115.15 124.61 1ajh h HIS 93 Ca 0.07 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1ajh h HIS 93 Cb 0.96 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1ajh h HIS 93 CO 0.06 0.88 -0.04 0.00 0.86 0.00 0.00 177.93 179.69 1ajh h ALA 94 N 1.07 -0.11 0.00 2.45 0.00 -0.94 0.47 119.26 122.20 1ajh h ALA 94 Ca -0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1ajh h ALA 94 Cb 1.12 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1ajh h ALA 94 CO 0.10 -0.17 -1.59 1.79 0.00 0.00 0.00 179.25 179.39 1ajh h THR 95 N -0.91 0.80 0.00 0.00 1.35 -1.40 -3.31 112.91 109.44 1ajh h THR 95 Ca -0.01 -2.55 -0.25 0.00 -0.55 0.00 0.00 66.41 63.05 1ajh h THR 95 Cb 0.56 2.34 -0.04 0.00 -1.73 0.00 0.00 68.15 69.28 1ajh h THR 95 CO 0.02 0.45 -1.82 1.17 -0.25 0.00 0.00 175.52 175.09 1ajh n LYS 96 N -3.02 0.56 0.11 4.72 4.81 -0.12 -4.63 118.16 120.58 1ajh n LYS 96 Ca -0.14 0.24 0.04 0.00 -0.87 0.00 0.00 58.31 57.58 1ajh n LYS 96 Cb 0.99 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1ajh n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ajh h HIS 97 N -0.99 0.00 -5.65 5.64 3.86 -0.57 -3.49 115.15 113.95 1ajh h HIS 97 Ca -0.38 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.55 1ajh h HIS 97 Cb 1.33 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.95 1ajh h HIS 97 CO -0.25 0.40 -0.83 1.63 0.86 0.00 0.00 177.93 179.74 1ajh n LYS 98 N -3.01 -1.93 -3.50 2.45 5.02 0.02 -4.98 118.16 112.22 1ajh n LYS 98 Ca -0.02 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.66 1ajh n LYS 98 Cb 0.72 -5.38 -0.10 0.00 -0.02 0.00 0.00 35.03 30.24 1ajh n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ajh s ILE 99 N -3.38 5.27 0.72 -0.18 -1.09 0.14 -5.00 121.20 117.69 1ajh s ILE 99 Ca 0.43 -0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.35 1ajh s ILE 99 Cb -0.08 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1ajh s ILE 99 CO 0.77 -0.11 1.25 -2.84 -1.23 0.00 0.00 174.94 172.79 1ajh s PRO 100 N 1.72 2.14 0.52 2.79 0.02 -1.26 -4.68 135.00 136.24 1ajh s PRO 100 Ca 0.06 1.91 0.16 0.00 0.02 0.00 0.00 61.00 63.15 1ajh s PRO 100 Cb -0.18 -1.82 1.28 0.00 0.02 0.00 0.00 34.50 33.80 1ajh s PRO 100 CO 0.10 -1.87 2.15 0.82 -0.33 0.00 0.00 177.00 177.87 1ajh h ILE 101 N -0.12 0.99 -0.53 2.83 1.08 -1.14 -0.57 117.51 120.05 1ajh h ILE 101 Ca -0.49 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1ajh h ILE 101 Cb 1.32 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.04 1ajh h ILE 101 CO 0.50 0.00 0.35 0.50 -0.69 0.00 0.00 178.15 178.82 1ajh h LYS 102 N 0.00 0.59 0.00 2.37 1.63 -1.90 -0.93 116.57 118.33 1ajh h LYS 102 Ca -0.00 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 1ajh h LYS 102 Cb 0.00 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1ajh h LYS 102 CO 0.00 0.39 -0.45 1.88 -3.45 0.00 0.00 179.45 177.82 1ajh h TYR 103 N 0.61 0.00 -0.17 1.91 -1.99 -1.45 -1.05 116.97 114.83 1ajh h TYR 103 Ca 0.22 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.81 1ajh h TYR 103 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1ajh h TYR 103 CO -0.00 0.45 -0.47 -0.07 -0.00 0.00 0.00 178.16 178.07 1ajh h LEU 104 N 0.00 0.46 -0.54 3.88 3.38 -1.15 -1.52 115.31 119.82 1ajh h LEU 104 Ca -0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1ajh h LEU 104 Cb 0.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1ajh h LEU 104 CO 0.06 0.86 0.14 -0.08 0.09 0.00 0.00 178.44 179.51 1ajh h GLU 105 N 0.34 0.85 -0.24 1.13 4.81 -0.66 -1.63 114.58 119.19 1ajh h GLU 105 Ca 0.02 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1ajh h GLU 105 Cb 0.95 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1ajh h GLU 105 CO 0.08 0.80 0.09 0.74 -0.73 0.00 0.00 179.01 180.00 1ajh h PHE 106 N 0.75 0.17 -0.09 0.92 0.04 -0.76 -1.23 116.94 116.74 1ajh h PHE 106 Ca 0.17 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1ajh h PHE 106 Cb 0.33 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1ajh h PHE 106 CO 0.02 0.09 -0.28 0.97 -0.60 0.00 0.00 178.31 178.50 1ajh h ILE 107 N 0.21 1.24 -0.50 -0.55 2.10 -1.23 -1.51 117.51 117.27 1ajh h ILE 107 Ca 0.10 -1.13 -0.01 0.00 1.08 0.00 0.00 64.86 64.90 1ajh h ILE 107 Cb 0.06 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.26 1ajh h ILE 107 CO -0.09 0.34 0.27 0.28 -1.08 0.00 0.00 178.15 177.87 1ajh h SER 108 N 0.14 0.63 -0.34 2.19 0.02 -0.80 0.18 113.55 115.58 1ajh h SER 108 Ca 0.02 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1ajh h SER 108 Cb 0.58 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1ajh h SER 108 CO 0.04 0.54 0.03 -0.33 -1.14 0.00 0.00 176.83 175.97 1ajh h GLU 109 N 0.67 0.67 -0.42 3.45 4.39 -0.79 -0.73 114.58 121.82 1ajh h GLU 109 Ca 0.18 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1ajh h GLU 109 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1ajh h GLU 109 CO -0.03 0.67 -0.21 0.00 -1.16 0.00 0.00 179.01 178.29 1ajh h ALA 110 N 1.39 0.83 0.09 3.43 0.00 -0.56 -1.07 119.26 123.37 1ajh h ALA 110 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ajh h ALA 110 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ajh h ALA 110 CO 0.01 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.68 1ajh h ILE 111 N 0.73 1.02 -0.93 0.00 2.04 -0.21 -0.93 117.51 119.24 1ajh h ILE 111 Ca 0.10 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1ajh h ILE 111 Cb 0.74 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1ajh h ILE 111 CO 0.06 0.10 0.54 0.40 0.00 0.00 0.00 178.15 179.25 1ajh h ILE 112 N -0.30 1.26 0.01 -0.67 2.04 -1.02 0.19 117.51 119.01 1ajh h ILE 112 Ca -0.01 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ajh h ILE 112 Cb 0.25 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1ajh h ILE 112 CO 0.02 0.28 -0.00 -0.74 0.00 0.00 0.00 178.15 177.70 1ajh h HIS 113 N 1.28 -0.01 -0.51 1.37 2.76 -0.97 -1.09 115.15 117.99 1ajh h HIS 113 Ca 0.33 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.45 1ajh h HIS 113 Cb -0.03 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1ajh h HIS 113 CO 0.01 0.15 0.13 0.28 -1.30 0.00 0.00 177.93 177.19 1ajh h VAL 114 N -0.16 1.21 -0.35 5.26 2.07 -0.87 -0.56 116.25 122.85 1ajh h VAL 114 Ca -0.00 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1ajh h VAL 114 Cb 0.16 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1ajh h VAL 114 CO 0.00 0.29 -0.15 -0.07 0.02 0.00 0.00 177.57 177.66 1ajh h LEU 115 N 0.75 0.63 -0.30 2.57 3.38 -0.82 -1.20 115.31 120.32 1ajh h LEU 115 Ca 0.17 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1ajh h LEU 115 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ajh h LEU 115 CO -0.00 0.80 -0.59 -0.74 0.09 0.00 0.00 178.44 177.99 1ajh h HIS 116 N 0.58 1.05 -0.36 1.13 2.76 -0.62 0.07 115.15 119.75 1ajh h HIS 116 Ca 0.10 -0.39 -0.10 0.00 -2.20 0.00 0.00 60.37 57.78 1ajh h HIS 116 Cb 0.59 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1ajh h HIS 116 CO 0.02 1.21 -0.19 0.77 -1.30 0.00 0.00 177.93 178.44 1ajh h SER 117 N 0.62 0.69 0.37 3.26 0.02 -0.82 -3.08 113.55 114.60 1ajh h SER 117 Ca 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1ajh h SER 117 Cb 1.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1ajh h SER 117 CO 0.13 0.88 -1.10 0.54 -1.14 0.00 0.00 176.83 176.13 1ajh n ARG 118 N -4.13 0.30 -2.75 3.45 1.74 -0.48 -4.56 116.66 110.23 1ajh n ARG 118 Ca 0.00 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1ajh n ARG 118 Cb 0.40 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1ajh n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ajh n HIS 119 N -1.96 0.73 -0.28 -1.55 8.25 0.01 -4.95 115.22 115.47 1ajh n HIS 119 Ca 0.02 -2.89 0.10 0.00 -0.26 0.00 0.00 57.72 54.69 1ajh n HIS 119 Cb 0.44 -0.24 0.25 0.00 1.12 0.00 0.00 29.99 31.56 1ajh n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ajh h PRO 120 N 2.94 0.30 0.00 -0.41 0.13 -1.72 0.14 132.00 133.38 1ajh h PRO 120 Ca -0.08 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1ajh h PRO 120 Cb 1.15 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ajh h PRO 120 CO 0.46 0.20 -0.13 0.78 -0.23 0.00 0.00 178.00 179.08 1ajh h GLY 121 N 0.31 0.00 -0.47 1.56 0.00 -1.92 -2.42 103.07 100.12 1ajh h GLY 121 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ajh h GLY 121 CO -0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.21 1ajh n ASP 122 N -3.61 2.65 -2.70 0.19 8.00 -0.18 -4.65 116.55 116.26 1ajh n ASP 122 Ca -0.02 -2.69 -0.12 0.00 0.71 0.00 0.00 54.79 52.67 1ajh n ASP 122 Cb 0.25 -0.33 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1ajh n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ajh n PHE 123 N -0.81 1.30 -1.19 1.24 7.35 0.32 -4.45 117.46 121.22 1ajh n PHE 123 Ca 0.13 -2.93 -0.23 0.00 -0.76 0.00 0.00 57.45 53.65 1ajh n PHE 123 Cb 0.58 -0.36 0.19 0.00 0.35 0.00 0.00 39.48 40.23 1ajh n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ajh n GLY 124 N -0.07 -2.29 0.36 7.13 0.00 -1.21 -4.55 105.19 104.56 1ajh n GLY 124 Ca 0.14 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.69 1ajh n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajh h ALA 125 N -2.34 1.78 -0.58 4.61 0.00 -1.99 -0.42 119.26 120.32 1ajh h ALA 125 Ca -0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1ajh h ALA 125 Cb 0.97 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ajh h ALA 125 CO 0.22 0.07 0.05 0.38 0.00 0.00 0.00 179.25 179.97 1ajh h ASP 126 N 0.69 0.96 -0.39 0.00 2.03 -2.00 -0.86 116.42 116.86 1ajh h ASP 126 Ca 0.34 -0.28 -0.14 0.00 -0.73 0.00 0.00 57.03 56.22 1ajh h ASP 126 Cb 0.42 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1ajh h ASP 126 CO -0.12 1.00 -0.32 0.00 -1.03 0.00 0.00 179.24 178.77 1ajh h ALA 127 N 0.99 0.56 -0.39 4.15 0.00 -1.64 -1.50 119.26 121.43 1ajh h ALA 127 Ca 0.17 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ajh h ALA 127 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ajh h ALA 127 CO 0.02 0.62 0.25 1.96 0.00 0.00 0.00 179.25 182.10 1ajh h GLN 128 N 0.72 0.49 -0.60 0.00 4.20 -0.93 0.15 115.11 119.14 1ajh h GLN 128 Ca 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ajh h GLN 128 Cb 0.91 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1ajh h GLN 128 CO 0.08 0.33 0.31 0.78 -0.67 0.00 0.00 178.83 179.66 1ajh h GLY 129 N 0.51 0.90 0.92 3.46 0.00 -1.00 0.12 103.07 107.98 1ajh h GLY 129 Ca 0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1ajh h GLY 129 CO -0.05 0.41 0.10 0.00 0.00 0.00 0.00 176.54 177.00 1ajh h ALA 130 N 1.14 0.46 -0.64 3.60 0.00 -1.04 -0.43 119.26 122.36 1ajh h ALA 130 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ajh h ALA 130 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ajh h ALA 130 CO -0.03 0.12 0.20 1.98 0.00 0.00 0.00 179.25 181.52 1ajh h MET 131 N 0.42 0.99 -0.86 0.00 -1.53 -0.49 -0.97 114.93 112.49 1ajh h MET 131 Ca 0.11 -0.21 0.01 0.00 -3.44 0.00 0.00 59.70 56.17 1ajh h MET 131 Cb 0.28 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 1ajh h MET 131 CO -0.00 0.87 0.56 -0.97 0.14 0.00 0.00 176.91 177.51 1ajh h ASN 132 N 0.92 0.99 -0.71 1.39 -1.24 -0.47 0.06 115.58 116.51 1ajh h ASN 132 Ca 0.20 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1ajh h ASN 132 Cb 0.30 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1ajh h ASN 132 CO -0.01 0.72 0.35 0.11 -1.29 0.00 0.00 177.43 177.32 1ajh h LYS 133 N 1.17 1.02 -0.46 6.67 1.57 -0.54 0.12 116.57 126.12 1ajh h LYS 133 Ca 0.31 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1ajh h LYS 133 Cb -0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 1ajh h LYS 133 CO -0.07 0.79 0.18 0.00 -0.57 0.00 0.00 179.45 179.78 1ajh h ALA 134 N 1.17 0.60 -0.26 3.86 0.00 -0.42 0.34 119.26 124.55 1ajh h ALA 134 Ca 0.25 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ajh h ALA 134 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ajh h ALA 134 CO -0.03 0.21 -0.30 -0.07 0.00 0.00 0.00 179.25 179.06 1ajh h LEU 135 N 0.60 0.54 -0.59 0.00 3.38 -0.87 -2.09 115.31 116.28 1ajh h LEU 135 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ajh h LEU 135 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ajh h LEU 135 CO -0.01 0.82 0.01 -0.33 0.09 0.00 0.00 178.44 179.02 1ajh h GLU 136 N 0.46 1.04 -0.41 1.13 5.08 -0.55 -1.19 114.58 120.14 1ajh h GLU 136 Ca 0.06 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ajh h GLU 136 Cb 0.75 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1ajh h GLU 136 CO 0.06 1.02 0.26 1.25 -1.00 0.00 0.00 179.01 180.60 1ajh h LEU 137 N 0.94 0.49 -0.27 1.33 5.85 -0.77 0.81 115.31 123.67 1ajh h LEU 137 Ca 0.17 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1ajh h LEU 137 Cb 0.54 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1ajh h LEU 137 CO 0.03 0.37 0.00 0.15 -0.34 0.00 0.00 178.44 178.66 1ajh h PHE 138 N 0.56 -0.01 -0.59 1.25 3.57 -1.17 0.17 116.94 120.71 1ajh h PHE 138 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1ajh h PHE 138 Cb -0.03 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1ajh h PHE 138 CO -0.04 -0.04 0.01 0.00 -2.23 0.00 0.00 178.31 176.00 1ajh h ARG 139 N 0.09 1.02 -0.15 1.11 3.08 -0.89 -0.75 114.38 117.89 1ajh h ARG 139 Ca 0.13 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ajh h ARG 139 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ajh h ARG 139 CO -0.22 0.99 0.09 -0.22 -1.07 0.00 0.00 179.97 179.54 1ajh h LYS 140 N 0.93 0.20 -0.46 0.04 3.64 -0.37 0.21 116.57 120.77 1ajh h LYS 140 Ca 0.17 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1ajh h LYS 140 Cb 0.53 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ajh h LYS 140 CO 0.03 0.19 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.72 1ajh h ASP 141 N 0.16 0.98 -0.50 4.20 5.19 -0.76 -2.31 116.42 123.39 1ajh h ASP 141 Ca 0.05 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 1ajh h ASP 141 Cb 0.04 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1ajh h ASP 141 CO -0.01 1.16 0.16 0.40 -3.12 0.00 0.00 179.24 177.84 1ajh h ILE 142 N 0.82 1.23 -0.58 0.35 1.08 -0.96 -2.90 117.51 116.54 1ajh h ILE 142 Ca 0.10 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 1ajh h ILE 142 Cb 0.81 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1ajh h ILE 142 CO 0.07 0.27 0.38 0.00 -0.69 0.00 0.00 178.15 178.19 1ajh h ALA 143 N 1.02 1.67 -0.51 1.87 0.00 -0.35 0.44 119.26 123.40 1ajh h ALA 143 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ajh h ALA 143 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ajh h ALA 143 CO -0.01 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 179.39 1ajh h ALA 144 N 1.66 0.79 -0.31 0.00 0.00 -1.23 0.08 119.26 120.25 1ajh h ALA 144 Ca 0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1ajh h ALA 144 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ajh h ALA 144 CO -0.06 0.66 -0.40 0.87 0.00 0.00 0.00 179.25 180.33 1ajh h LYS 145 N 0.87 0.74 0.01 0.00 6.56 -1.09 -2.11 116.57 121.55 1ajh h LYS 145 Ca 0.13 -0.39 -0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1ajh h LYS 145 Cb 0.69 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1ajh h LYS 145 CO 0.05 1.01 -0.01 1.88 -2.06 0.00 0.00 179.45 180.32 1ajh h TYR 146 N 0.61 -0.02 -0.48 -1.35 -1.99 -0.56 -2.25 116.97 110.93 1ajh h TYR 146 Ca 0.05 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.84 1ajh h TYR 146 Cb 0.94 0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.62 1ajh h TYR 146 CO 0.05 -0.00 0.17 -0.22 -0.00 0.00 0.00 178.16 178.16 1ajh h LYS 147 N -0.03 0.34 -0.49 4.88 3.64 -0.86 0.94 116.57 124.99 1ajh h LYS 147 Ca -0.00 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1ajh h LYS 147 Cb 0.02 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1ajh h LYS 147 CO 0.00 0.22 0.07 1.49 -2.27 0.00 0.00 179.45 178.97 1ajh h GLU 148 N 0.35 0.19 0.00 1.90 4.81 -1.22 -0.90 114.58 119.71 1ajh h GLU 148 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ajh h GLU 148 Cb 0.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ajh h GLU 148 CO -0.23 0.13 0.00 1.28 -0.73 0.00 0.00 179.01 179.46 1ajh n LEU 149 N -5.15 0.00 0.00 1.64 4.77 -0.65 -4.89 117.00 112.72 1ajh n LEU 149 Ca 0.05 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ajh n LEU 149 Cb 0.25 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1ajh n LEU 149 CO 0.19 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ajh n GLY 150 N 0.71 0.74 0.18 -0.72 0.00 -0.23 -4.97 105.19 100.91 1ajh n GLY 150 Ca 0.10 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1ajh n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ajh n TYR 151 N -2.42 0.14 -1.42 1.61 4.02 0.16 -4.99 117.16 114.26 1ajh n TYR 151 Ca 0.00 -0.57 -0.48 0.00 -0.01 0.00 0.00 57.90 56.83 1ajh n TYR 151 Cb 0.00 -0.07 -0.10 0.00 -0.02 0.00 0.00 39.34 39.15 1ajh n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1ajh n GLN 152 N -0.39 0.45 0.00 -0.72 -0.06 -1.21 -4.76 117.38 110.69 1ajh n GLN 152 Ca 0.05 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 1ajh n GLN 152 Cb 0.36 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 24.51 1ajh n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27