#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iop s LEU 2 N 0.00 3.95 0.68 7.52 1.02 -1.26 -5.07 118.68 125.52 1iop s LEU 2 Ca 0.00 1.16 -0.06 0.00 0.02 0.00 0.00 54.13 55.25 1iop s LEU 2 Cb 0.00 -4.00 0.05 0.00 0.02 0.00 0.00 46.19 42.26 1iop s LEU 2 CO 0.00 -0.29 0.99 -0.94 0.02 0.00 0.00 176.35 176.13 1iop s SER 3 N -2.76 4.95 0.24 2.29 1.04 -1.26 -4.91 113.70 113.29 1iop s SER 3 Ca 0.52 0.48 -0.06 0.00 0.48 0.00 0.00 55.95 57.37 1iop s SER 3 Cb -0.10 -1.19 0.28 0.00 0.10 0.00 0.00 66.02 65.11 1iop s SER 3 CO 0.25 -1.51 1.89 -0.08 0.98 0.00 0.00 173.24 174.77 1iop h GLU 4 N -0.52 1.11 -0.96 4.02 4.57 -1.99 -1.62 114.58 119.18 1iop h GLU 4 Ca -0.44 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 57.72 1iop h GLU 4 Cb 1.31 -0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 29.59 1iop h GLU 4 CO 0.60 0.73 0.63 0.78 -1.18 0.00 0.00 179.01 180.57 1iop h GLY 5 N 1.14 1.42 1.21 1.92 0.00 -1.99 0.98 103.07 107.76 1iop h GLY 5 Ca 0.36 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 1iop h GLY 5 CO -0.12 0.36 -0.55 0.83 0.00 0.00 0.00 176.54 177.07 1iop h GLU 6 N 1.16 0.83 -0.60 4.80 5.08 -1.72 -2.40 114.58 121.73 1iop h GLU 6 Ca 0.40 -0.52 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1iop h GLU 6 Cb 0.11 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1iop h GLU 6 CO -0.14 1.15 0.11 -1.49 -1.00 0.00 0.00 179.01 177.64 1iop h TRP 7 N 0.63 1.00 -0.82 4.33 4.06 -0.55 -0.91 115.95 123.70 1iop h TRP 7 Ca 0.01 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.85 1iop h TRP 7 Cb 1.15 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.98 1iop h TRP 7 CO 0.07 0.85 0.54 1.96 -3.56 0.00 0.00 178.44 178.29 1iop h GLN 8 N 0.91 1.09 -0.66 0.49 1.08 -0.68 0.18 115.11 117.52 1iop h GLN 8 Ca 0.19 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1iop h GLN 8 Cb 0.38 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1iop h GLN 8 CO 0.01 0.73 0.21 -0.07 -0.95 0.00 0.00 178.83 178.76 1iop h LEU 9 N 1.12 0.95 -0.15 1.46 3.38 -0.88 0.21 115.31 121.40 1iop h LEU 9 Ca 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1iop h LEU 9 Cb -0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1iop h LEU 9 CO -0.06 0.91 0.02 0.58 0.09 0.00 0.00 178.44 179.98 1iop h VAL 10 N 0.95 1.22 -0.21 1.22 2.07 -0.43 -2.56 116.25 118.51 1iop h VAL 10 Ca 0.21 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1iop h VAL 10 Cb 0.29 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1iop h VAL 10 CO -0.01 0.21 -0.26 -0.07 0.02 0.00 0.00 177.57 177.46 1iop h LEU 11 N 0.04 0.40 -0.43 2.57 3.38 -0.57 0.20 115.31 120.91 1iop h LEU 11 Ca 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1iop h LEU 11 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1iop h LEU 11 CO 0.00 0.66 0.13 -0.74 0.09 0.00 0.00 178.44 178.59 1iop h HIS 12 N 0.36 0.69 -0.20 1.13 2.76 -0.88 -1.25 115.15 117.75 1iop h HIS 12 Ca 0.05 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 57.98 1iop h HIS 12 Cb 0.65 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1iop h HIS 12 CO 0.02 0.63 -0.57 0.28 -1.30 0.00 0.00 177.93 176.98 1iop h VAL 13 N 0.55 1.31 -0.23 5.26 2.07 -1.24 -3.04 116.25 120.93 1iop h VAL 13 Ca 0.14 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1iop h VAL 13 Cb 0.27 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1iop h VAL 13 CO -0.00 0.57 0.06 -0.25 0.02 0.00 0.00 177.57 177.97 1iop h TRP 14 N 0.48 0.32 -0.03 1.57 2.91 -0.69 -0.92 115.95 119.59 1iop h TRP 14 Ca 0.00 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.03 1iop h TRP 14 Cb 1.14 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1iop h TRP 14 CO 0.05 0.28 0.03 0.00 -1.03 0.00 0.00 178.44 177.78 1iop h ALA 15 N 1.75 1.73 -0.07 2.65 0.00 -1.11 0.43 119.26 124.65 1iop h ALA 15 Ca 0.08 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1iop h ALA 15 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iop h ALA 15 CO -0.00 -0.05 -0.81 0.87 0.00 0.00 0.00 179.25 179.25 1iop h LYS 16 N 0.00 0.52 -0.45 0.00 1.79 -1.25 -3.18 116.57 114.00 1iop h LYS 16 Ca 0.02 -0.46 -0.05 0.00 -2.18 0.00 0.00 60.65 57.98 1iop h LYS 16 Cb 0.08 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1iop h LYS 16 CO -0.00 1.09 0.09 0.28 -1.08 0.00 0.00 179.45 179.83 1iop h VAL 17 N 0.33 1.24 -0.01 0.50 2.07 -0.89 -2.99 116.25 116.50 1iop h VAL 17 Ca -0.05 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1iop h VAL 17 Cb 1.42 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1iop h VAL 17 CO 0.15 0.30 0.03 -0.33 0.02 0.00 0.00 177.57 177.74 1iop h GLU 18 N 0.60 0.00 0.00 1.57 5.08 -1.23 -0.51 114.58 120.09 1iop h GLU 18 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1iop h GLU 18 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1iop h GLU 18 CO 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.96 1iop h ALA 19 N 1.95 1.05 -0.49 3.43 0.00 -1.51 -3.36 119.26 120.33 1iop h ALA 19 Ca 0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1iop h ALA 19 Cb 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1iop h ALA 19 CO -0.00 0.07 -0.53 -3.47 0.00 0.00 0.00 179.25 175.32 1iop n ASP 20 N -3.23 -2.90 -0.19 0.00 2.03 -0.24 -5.02 116.55 107.01 1iop n ASP 20 Ca -0.00 -3.12 -0.07 0.00 0.52 0.00 0.00 54.79 52.11 1iop n ASP 20 Cb 0.28 1.64 0.02 0.00 -0.72 0.00 0.00 41.12 42.34 1iop n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1iop h VAL 21 N 3.68 1.17 -0.74 5.18 2.07 -1.60 -1.70 116.25 124.31 1iop h VAL 21 Ca -0.06 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1iop h VAL 21 Cb 1.05 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1iop h VAL 21 CO 0.23 0.18 0.42 0.00 0.02 0.00 0.00 177.57 178.41 1iop h ALA 22 N 1.15 0.95 -0.07 1.67 0.00 -1.91 0.15 119.26 121.21 1iop h ALA 22 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1iop h ALA 22 Cb 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1iop h ALA 22 CO -0.03 0.46 -0.01 0.78 0.00 0.00 0.00 179.25 180.44 1iop h GLY 23 N 1.03 0.14 1.01 0.00 0.00 -1.89 -2.20 103.07 101.16 1iop h GLY 23 Ca 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1iop h GLY 23 CO -0.04 0.10 0.53 0.45 0.00 0.00 0.00 176.54 177.58 1iop h HIS 24 N -0.18 1.13 -0.26 5.60 3.86 -1.17 -2.48 115.15 121.65 1iop h HIS 24 Ca 0.02 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1iop h HIS 24 Cb 0.38 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1iop h HIS 24 CO 0.04 0.75 0.13 0.78 0.86 0.00 0.00 177.93 180.49 1iop h GLY 25 N 1.19 0.34 0.81 2.45 0.00 -0.59 -1.26 103.07 106.01 1iop h GLY 25 Ca 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1iop h GLY 25 CO -0.06 0.08 0.01 1.46 0.00 0.00 0.00 176.54 178.03 1iop h GLN 26 N 0.27 0.06 -0.26 4.80 4.20 -1.19 -1.74 115.11 121.25 1iop h GLN 26 Ca 0.11 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1iop h GLN 26 Cb 0.03 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1iop h GLN 26 CO -0.07 0.04 0.07 -0.44 -0.67 0.00 0.00 178.83 177.76 1iop h ASP 27 N 0.06 0.05 -0.44 1.46 3.32 -1.26 -0.30 116.42 119.32 1iop h ASP 27 Ca 0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1iop h ASP 27 Cb 0.07 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1iop h ASP 27 CO -0.10 0.06 0.24 0.40 -1.72 0.00 0.00 179.24 178.12 1iop h ILE 28 N 0.18 1.16 -0.19 0.35 2.04 -1.07 -0.75 117.51 119.23 1iop h ILE 28 Ca 0.12 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1iop h ILE 28 Cb 0.11 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1iop h ILE 28 CO -0.14 0.17 -0.12 -0.07 0.00 0.00 0.00 178.15 177.99 1iop h LEU 29 N 0.58 0.43 -0.79 1.44 3.38 -1.19 -1.12 115.31 118.04 1iop h LEU 29 Ca 0.15 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1iop h LEU 29 Cb 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1iop h LEU 29 CO -0.02 0.77 0.49 0.40 0.09 0.00 0.00 178.44 180.16 1iop h ILE 30 N 0.09 1.22 -0.03 1.22 2.04 -1.03 -0.07 117.51 120.95 1iop h ILE 30 Ca 0.04 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1iop h ILE 30 Cb 0.62 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1iop h ILE 30 CO 0.03 0.22 -0.07 -0.09 0.00 0.00 0.00 178.15 178.24 1iop h ARG 31 N 1.08 -0.11 -0.16 2.37 9.65 -1.03 0.05 114.38 126.23 1iop h ARG 31 Ca 0.29 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.20 1iop h ARG 31 Cb -0.06 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1iop h ARG 31 CO -0.06 -0.08 -0.03 1.25 2.80 0.00 0.00 179.97 183.86 1iop h LEU 32 N -0.12 -0.12 -1.40 3.80 5.85 -0.75 -0.50 115.31 122.07 1iop h LEU 32 Ca 0.04 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1iop h LEU 32 Cb 0.17 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1iop h LEU 32 CO -0.10 -0.04 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.50 1iop h PHE 33 N 0.02 0.15 0.09 1.25 0.04 -0.77 0.04 116.94 117.76 1iop h PHE 33 Ca 0.07 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.65 1iop h PHE 33 Cb 0.11 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 38.23 1iop h PHE 33 CO -0.18 0.34 -0.75 0.87 -0.60 0.00 0.00 178.31 177.99 1iop h LYS 34 N 0.13 0.35 -0.25 1.51 1.79 -0.56 -2.64 116.57 116.91 1iop h LYS 34 Ca 0.02 -0.50 -0.15 0.00 -2.18 0.00 0.00 60.65 57.84 1iop h LYS 34 Cb 0.44 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1iop h LYS 34 CO 0.03 1.20 -0.47 0.77 -1.08 0.00 0.00 179.45 179.89 1iop h SER 35 N -0.25 0.72 -2.44 0.86 0.02 -1.04 -3.38 113.55 108.04 1iop h SER 35 Ca -0.12 -0.35 -0.59 0.00 -0.84 0.00 0.00 61.79 59.89 1iop h SER 35 Cb 1.53 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 63.47 1iop h SER 35 CO 0.14 1.08 -0.87 1.41 -1.14 0.00 0.00 176.83 177.45 1iop n HIS 36 N -4.00 0.59 0.25 3.45 8.25 -0.00 -4.97 115.22 118.78 1iop n HIS 36 Ca -0.03 -3.67 0.13 0.00 -0.26 0.00 0.00 57.72 53.89 1iop n HIS 36 Cb 0.57 -0.14 0.67 0.00 1.12 0.00 0.00 29.99 32.21 1iop n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iop h PRO 37 N 5.10 0.00 -0.01 -0.41 0.13 -1.66 -0.03 132.00 135.13 1iop h PRO 37 Ca 0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1iop h PRO 37 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1iop h PRO 37 CO 0.51 0.00 -0.21 1.05 -0.23 0.00 0.00 178.00 179.12 1iop h GLU 38 N 0.00 0.01 0.00 0.86 9.09 -1.92 -1.52 114.58 121.10 1iop h GLU 38 Ca 0.00 -0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 1iop h GLU 38 Cb 0.43 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 1iop h GLU 38 CO 0.00 0.22 -0.36 1.79 0.05 0.00 0.00 179.01 180.71 1iop h THR 39 N 0.01 1.03 -0.30 -1.06 1.35 -1.33 -2.86 112.91 109.76 1iop h THR 39 Ca 0.00 -1.35 -0.08 0.00 -0.55 0.00 0.00 66.41 64.44 1iop h THR 39 Cb 0.38 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1iop h THR 39 CO 0.03 0.35 -0.14 0.25 -0.25 0.00 0.00 175.52 175.76 1iop h LEU 40 N 0.00 0.51 -2.71 3.87 5.85 -1.41 -2.32 115.31 119.09 1iop h LEU 40 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1iop h LEU 40 Cb 0.75 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1iop h LEU 40 CO 0.05 0.68 0.00 -0.33 -0.34 0.00 0.00 178.44 178.49 1iop h GLU 41 N 0.48 0.00 0.00 1.25 3.07 -1.50 -1.12 114.58 116.76 1iop h GLU 41 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1iop h GLU 41 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1iop h GLU 41 CO 0.03 0.00 0.00 0.87 -1.40 0.00 0.00 179.01 178.51 1iop h LYS 42 N 0.00 0.00 -4.15 2.33 1.79 -1.53 -3.41 116.57 111.60 1iop h LYS 42 Ca 0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 1iop h LYS 42 Cb 0.04 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.43 1iop h LYS 42 CO 0.00 0.00 -0.27 -0.06 -1.08 0.00 0.00 179.45 178.04 1iop s PHE 43 N -3.40 3.33 0.21 -1.35 0.40 -0.42 -4.94 117.98 111.81 1iop s PHE 43 Ca 0.05 -1.54 -0.10 0.00 -0.60 0.00 0.00 56.93 54.73 1iop s PHE 43 Cb 0.08 -3.69 0.29 0.00 0.51 0.00 0.00 43.02 40.21 1iop s PHE 43 CO 0.58 -1.01 1.68 -0.44 0.70 0.00 0.00 175.22 176.73 1iop h ASP 44 N 8.67 -0.13 0.69 1.36 3.32 -1.83 0.95 116.42 129.45 1iop h ASP 44 Ca -0.25 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1iop h ASP 44 Cb 1.09 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1iop h ASP 44 CO 0.96 -0.05 0.00 0.08 -1.72 0.00 0.00 179.24 178.51 1iop h ARG 45 N 0.18 0.00 0.00 3.56 0.11 -1.95 -3.19 114.38 113.10 1iop h ARG 45 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1iop h ARG 45 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1iop h ARG 45 CO -0.46 0.00 -0.36 1.19 0.10 0.00 0.00 179.97 180.44 1iop n PHE 46 N -2.65 0.00 -0.44 4.08 3.72 -0.35 -4.72 117.46 117.10 1iop n PHE 46 Ca 0.01 0.00 0.38 0.00 -0.05 0.00 0.00 57.45 57.78 1iop n PHE 46 Cb 0.22 -0.01 0.70 0.00 -0.94 0.00 0.00 39.48 39.45 1iop n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1iop h LYS 47 N 0.00 0.09 0.00 -1.08 1.57 -0.86 -1.20 116.57 115.08 1iop h LYS 47 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iop h LYS 47 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1iop h LYS 47 CO 0.00 0.06 0.00 1.12 -0.57 0.00 0.00 179.45 180.06 1iop h HIS 48 N 0.09 0.00 -2.69 -1.35 2.07 -1.84 -3.45 115.15 107.97 1iop h HIS 48 Ca 0.73 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 57.68 1iop h HIS 48 Cb 2.57 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 32.53 1iop h HIS 48 CO -0.00 0.00 1.16 -0.51 -3.07 0.00 0.00 177.93 175.51 1iop s LEU 49 N -4.70 3.88 -0.04 6.12 1.43 -0.46 -4.90 118.68 120.02 1iop s LEU 49 Ca 0.09 1.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 1iop s LEU 49 Cb 0.11 -3.53 -0.30 0.00 0.03 0.00 0.00 46.19 42.50 1iop s LEU 49 CO 0.56 -1.31 0.71 0.11 0.23 0.00 0.00 176.35 176.65 1iop h LYS 50 N 11.08 0.37 -5.63 1.70 1.57 -1.90 -3.49 116.57 120.28 1iop h LYS 50 Ca -0.35 -0.63 -0.60 0.00 -1.87 0.00 0.00 60.65 57.21 1iop h LYS 50 Cb 1.16 0.23 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 1iop h LYS 50 CO 1.00 1.27 -0.62 0.95 -0.57 0.00 0.00 179.45 181.48 1iop s THR 51 N -2.59 1.90 0.24 -0.16 -4.23 -1.26 -5.03 115.64 104.51 1iop s THR 51 Ca -0.14 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.27 1iop s THR 51 Cb 0.06 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 71.19 1iop s THR 51 CO 0.85 -0.05 1.81 -0.08 -0.54 0.00 0.00 174.62 176.61 1iop h GLU 52 N 1.90 1.06 -0.57 3.99 4.81 -1.99 -2.49 114.58 121.28 1iop h GLU 52 Ca -0.43 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 58.65 1iop h GLU 52 Cb 1.24 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 1iop h GLU 52 CO 0.77 0.87 0.31 0.00 -0.73 0.00 0.00 179.01 180.23 1iop h ALA 53 N 1.26 0.74 -0.62 2.92 0.00 -1.99 -1.26 119.26 120.31 1iop h ALA 53 Ca 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1iop h ALA 53 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1iop h ALA 53 CO -0.02 -0.01 0.20 0.93 0.00 0.00 0.00 179.25 180.35 1iop h GLU 54 N 0.60 0.93 -0.57 0.00 5.08 -1.87 -1.73 114.58 117.02 1iop h GLU 54 Ca 0.25 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1iop h GLU 54 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1iop h GLU 54 CO -0.15 0.79 0.15 0.52 -1.00 0.00 0.00 179.01 179.33 1iop h MET 55 N 0.90 0.90 -0.04 2.33 2.86 -0.93 -1.72 114.93 119.23 1iop h MET 55 Ca 0.20 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1iop h MET 55 Cb 0.25 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1iop h MET 55 CO -0.01 0.83 -0.35 0.87 1.06 0.00 0.00 176.91 179.31 1iop h LYS 56 N 0.80 0.07 0.00 1.72 1.57 -1.00 -2.78 116.57 116.96 1iop h LYS 56 Ca 0.18 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1iop h LYS 56 Cb 0.33 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1iop h LYS 56 CO -0.00 0.42 -0.14 0.00 -0.57 0.00 0.00 179.45 179.16 1iop h ALA 57 N 1.58 0.94 -2.14 3.86 0.00 -0.76 -3.45 119.26 119.29 1iop h ALA 57 Ca 0.01 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 1iop h ALA 57 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1iop h ALA 57 CO 0.05 0.17 1.12 0.45 0.00 0.00 0.00 179.25 181.05 1iop s SER 58 N -6.15 6.47 0.19 0.00 0.15 -0.70 -4.89 113.70 108.77 1iop s SER 58 Ca 0.04 1.91 -0.02 0.00 0.70 0.00 0.00 55.95 58.58 1iop s SER 58 Cb 0.07 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 1iop s SER 58 CO 0.65 -1.14 1.48 -0.08 1.20 0.00 0.00 173.24 175.36 1iop h GLU 59 N 10.37 0.50 -0.52 5.44 4.81 -1.88 -2.49 114.58 130.80 1iop h GLU 59 Ca -0.36 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.42 1iop h GLU 59 Cb 1.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1iop h GLU 59 CO 0.98 0.96 -0.09 -0.44 -0.73 0.00 0.00 179.01 179.69 1iop h ASP 60 N 0.37 0.94 -0.49 1.04 3.32 -1.96 -0.98 116.42 118.66 1iop h ASP 60 Ca -0.01 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 1iop h ASP 60 Cb 1.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1iop h ASP 60 CO 0.11 1.05 -0.06 0.25 -1.72 0.00 0.00 179.24 178.87 1iop h LEU 61 N 0.85 0.93 -0.52 1.55 6.46 -1.87 -0.35 115.31 122.36 1iop h LEU 61 Ca 0.14 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1iop h LEU 61 Cb 0.62 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1iop h LEU 61 CO 0.04 1.02 0.11 0.50 -0.62 0.00 0.00 178.44 179.49 1iop h LYS 62 N 0.86 0.84 -0.67 1.25 3.64 -1.08 -0.50 116.57 120.90 1iop h LYS 62 Ca 0.15 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1iop h LYS 62 Cb 0.58 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1iop h LYS 62 CO 0.04 0.81 0.29 0.87 -2.27 0.00 0.00 179.45 179.18 1iop h LYS 63 N 0.73 0.99 -0.56 1.90 1.57 -0.97 -2.56 116.57 117.67 1iop h LYS 63 Ca 0.16 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1iop h LYS 63 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1iop h LYS 63 CO 0.00 0.81 0.31 1.25 -0.57 0.00 0.00 179.45 181.26 1iop h HIS 64 N 0.94 0.76 -0.56 -1.35 2.76 -0.64 -2.06 115.15 115.01 1iop h HIS 64 Ca 0.23 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1iop h HIS 64 Cb 0.18 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1iop h HIS 64 CO 0.01 0.55 0.37 0.78 -1.30 0.00 0.00 177.93 178.34 1iop h GLY 65 N 0.75 0.72 0.93 5.26 0.00 -0.87 -0.20 103.07 109.67 1iop h GLY 65 Ca 0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1iop h GLY 65 CO -0.03 0.21 -0.17 -2.08 0.00 0.00 0.00 176.54 174.47 1iop h VAL 66 N 0.63 1.29 -0.78 4.60 2.07 -1.01 -1.76 116.25 121.29 1iop h VAL 66 Ca 0.23 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1iop h VAL 66 Cb 0.12 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1iop h VAL 66 CO -0.06 0.41 0.45 0.74 0.02 0.00 0.00 177.57 179.13 1iop h THR 67 N 0.41 1.23 0.17 2.57 2.02 -0.64 0.25 112.91 118.92 1iop h THR 67 Ca 0.07 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1iop h THR 67 Cb 0.70 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1iop h THR 67 CO 0.05 0.25 -0.08 0.58 0.37 0.00 0.00 175.52 176.68 1iop h VAL 68 N 1.08 0.95 -0.15 3.16 2.07 -0.98 -2.36 116.25 120.01 1iop h VAL 68 Ca 0.28 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1iop h VAL 68 Cb 0.00 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1iop h VAL 68 CO -0.05 0.15 -0.19 -0.07 0.02 0.00 0.00 177.57 177.43 1iop h LEU 69 N -0.57 0.25 -0.54 2.57 3.38 -1.23 -0.83 115.31 118.34 1iop h LEU 69 Ca -0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1iop h LEU 69 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1iop h LEU 69 CO 0.04 0.46 0.19 0.74 0.09 0.00 0.00 178.44 179.95 1iop h THR 70 N 0.24 1.23 -0.29 0.22 2.02 -0.91 0.41 112.91 115.83 1iop h THR 70 Ca 0.04 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 1iop h THR 70 Cb 0.48 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1iop h THR 70 CO 0.03 0.28 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 1iop h ALA 71 N 1.04 0.40 -0.75 6.16 0.00 -0.86 -2.35 119.26 122.89 1iop h ALA 71 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1iop h ALA 71 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1iop h ALA 71 CO -0.01 0.16 0.29 1.25 0.00 0.00 0.00 179.25 180.94 1iop h LEU 72 N 0.31 1.05 -0.61 0.00 5.85 -0.99 -2.27 115.31 118.66 1iop h LEU 72 Ca 0.08 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1iop h LEU 72 Cb 0.45 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1iop h LEU 72 CO 0.02 0.94 0.14 1.23 -0.34 0.00 0.00 178.44 180.43 1iop h GLY 73 N 1.09 1.05 1.62 3.75 0.00 -0.86 -0.71 103.07 109.03 1iop h GLY 73 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1iop h GLY 73 CO -0.02 0.62 0.13 0.00 0.00 0.00 0.00 176.54 177.28 1iop h ALA 74 N 1.04 1.58 0.00 3.60 0.00 -1.21 -0.47 119.26 123.79 1iop h ALA 74 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iop h ALA 74 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1iop h ALA 74 CO 0.00 0.33 -0.00 0.82 0.00 0.00 0.00 179.25 180.41 1iop h ILE 75 N 0.49 1.45 -0.75 0.00 2.04 -0.89 -3.22 117.51 116.64 1iop h ILE 75 Ca 0.12 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.68 1iop h ILE 75 Cb 0.12 2.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1iop h ILE 75 CO -0.01 0.35 0.50 -0.07 0.00 0.00 0.00 178.15 178.91 1iop h LEU 76 N -0.57 0.81 -0.67 1.44 3.38 -0.87 -1.50 115.31 117.34 1iop h LEU 76 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iop h LEU 76 Cb 0.57 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1iop h LEU 76 CO 0.00 0.57 0.00 0.29 0.09 0.00 0.00 178.44 179.39 1iop n LYS 77 N -4.44 0.15 0.00 1.13 5.02 -0.21 -1.55 118.16 118.26 1iop n LYS 77 Ca 0.09 0.43 0.14 0.00 -2.02 0.00 0.00 58.31 56.95 1iop n LYS 77 Cb 0.09 -1.82 0.69 0.00 -0.02 0.00 0.00 35.03 33.98 1iop n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iop n LYS 78 N -2.11 0.40 -4.01 1.97 4.76 -0.56 -4.93 118.16 113.67 1iop n LYS 78 Ca 0.02 -0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 1iop n LYS 78 Cb 0.19 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1iop n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iop n LYS 79 N -1.26 -3.48 0.00 1.97 5.02 -0.60 -1.11 118.16 118.71 1iop n LYS 79 Ca 0.13 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1iop n LYS 79 Cb 0.27 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1iop n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iop n GLY 80 N -1.81 3.39 2.82 0.72 0.00 -1.26 -4.94 105.19 104.10 1iop n GLY 80 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1iop n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iop n HIS 81 N -1.85 2.73 -1.54 1.61 8.25 -0.27 -4.67 115.22 119.48 1iop n HIS 81 Ca 0.00 -2.74 0.06 0.00 -0.26 0.00 0.00 57.72 54.78 1iop n HIS 81 Cb 0.00 -1.77 0.20 0.00 1.12 0.00 0.00 29.99 29.54 1iop n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1iop n HIS 82 N 2.90 0.00 -0.09 4.41 1.44 -1.26 -4.82 115.22 117.80 1iop n HIS 82 Ca 0.41 -1.43 -0.09 0.00 -2.01 0.00 0.00 57.72 54.60 1iop n HIS 82 Cb 0.33 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.19 1iop n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1iop h GLU 83 N 0.88 0.42 -0.28 -1.40 4.57 -2.00 -1.30 114.58 115.46 1iop h GLU 83 Ca -0.00 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 1iop h GLU 83 Cb 1.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1iop h GLU 83 CO 0.00 0.28 -0.13 0.00 -1.18 0.00 0.00 179.01 177.98 1iop h ALA 84 N 1.11 1.26 -0.05 2.92 0.00 -2.01 -2.71 119.26 119.79 1iop h ALA 84 Ca 0.12 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1iop h ALA 84 Cb -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1iop h ALA 84 CO -0.02 0.49 -0.79 0.93 0.00 0.00 0.00 179.25 179.85 1iop h GLU 85 N 0.44 0.37 -0.21 0.00 3.07 -1.87 -3.28 114.58 113.09 1iop h GLU 85 Ca 0.08 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.51 1iop h GLU 85 Cb 0.49 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1iop h GLU 85 CO 0.03 0.99 -0.32 -0.07 -1.40 0.00 0.00 179.01 178.24 1iop h LEU 86 N 0.24 0.45 0.14 1.33 4.07 -0.97 -3.32 115.31 117.25 1iop h LEU 86 Ca -0.04 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.76 1iop h LEU 86 Cb 1.38 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.96 1iop h LEU 86 CO 0.13 0.74 -0.43 0.11 -1.08 0.00 0.00 178.44 177.91 1iop h LYS 87 N 0.38 -0.63 -0.92 1.13 1.57 -1.55 0.31 116.57 116.85 1iop h LYS 87 Ca 0.05 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1iop h LYS 87 Cb 0.74 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 1iop h LYS 87 CO 0.06 -0.42 0.61 -1.35 -0.57 0.00 0.00 179.45 177.77 1iop h PRO 88 N -0.65 1.14 -0.32 3.15 0.11 -1.75 -1.53 132.00 132.13 1iop h PRO 88 Ca -0.01 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1iop h PRO 88 Cb 0.64 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1iop h PRO 88 CO -0.21 0.75 0.15 1.25 -0.21 0.00 0.00 178.00 179.73 1iop h LEU 89 N 1.17 0.43 -0.63 2.35 5.85 -1.56 -1.87 115.31 121.05 1iop h LEU 89 Ca 0.36 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1iop h LEU 89 Cb -0.01 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1iop h LEU 89 CO -0.11 0.44 0.17 0.00 -0.34 0.00 0.00 178.44 178.61 1iop h ALA 90 N 1.00 0.83 -0.22 1.25 0.00 -0.05 -2.44 119.26 119.63 1iop h ALA 90 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iop h ALA 90 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1iop h ALA 90 CO -0.01 0.52 0.07 0.37 0.00 0.00 0.00 179.25 180.20 1iop h GLN 91 N 0.92 0.33 -0.51 0.00 4.15 -1.07 -0.67 115.11 118.26 1iop h GLN 91 Ca 0.20 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1iop h GLN 91 Cb 0.33 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1iop h GLN 91 CO -0.00 0.42 -0.13 0.66 -1.93 0.00 0.00 178.83 177.85 1iop h SER 92 N 0.19 0.96 0.57 -0.69 4.64 -1.33 -0.63 113.55 117.25 1iop h SER 92 Ca 0.07 -0.32 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 1iop h SER 92 Cb 0.22 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1iop h SER 92 CO -0.00 1.08 -0.75 0.45 -0.87 0.00 0.00 176.83 176.73 1iop h HIS 93 N 0.85 0.21 0.00 4.77 3.86 -1.38 0.16 115.15 123.61 1iop h HIS 93 Ca 0.13 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1iop h HIS 93 Cb 0.67 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 1iop h HIS 93 CO 0.04 0.84 -0.10 0.00 0.86 0.00 0.00 177.93 179.58 1iop h ALA 94 N 1.13 0.00 0.00 2.45 0.00 -1.12 0.49 119.26 122.22 1iop h ALA 94 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1iop h ALA 94 Cb 1.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1iop h ALA 94 CO 0.11 0.09 -0.10 1.15 0.00 0.00 0.00 179.25 180.50 1iop h THR 95 N -1.00 1.60 0.00 0.00 2.02 -1.23 -2.65 112.91 111.66 1iop h THR 95 Ca -0.00 -1.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 1iop h THR 95 Cb 0.14 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1iop h THR 95 CO -0.00 0.51 -0.00 0.50 0.37 0.00 0.00 175.52 176.89 1iop h LYS 96 N -0.68 -0.00 0.00 6.66 3.64 -1.27 -3.40 116.57 121.51 1iop h LYS 96 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1iop h LYS 96 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1iop h LYS 96 CO 0.02 0.84 -1.39 0.72 -2.27 0.00 0.00 179.45 177.37 1iop n HIS 97 N -4.65 0.36 -3.21 1.91 8.25 0.43 -5.02 115.22 113.30 1iop n HIS 97 Ca -0.09 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1iop n HIS 97 Cb 0.41 -0.60 0.02 0.00 1.12 0.00 0.00 29.99 30.94 1iop n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iop n LYS 98 N -2.27 -1.59 -3.52 -0.41 4.76 0.05 -4.97 118.16 110.21 1iop n LYS 98 Ca -0.01 1.20 -0.42 0.00 -2.87 0.00 0.00 58.31 56.21 1iop n LYS 98 Cb 0.52 -5.43 -0.09 0.00 -1.84 0.00 0.00 35.03 28.19 1iop n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1iop s ILE 99 N -3.14 4.70 0.64 -0.18 -1.09 0.15 -4.99 121.20 117.29 1iop s ILE 99 Ca 0.16 -1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 57.26 1iop s ILE 99 Cb -0.03 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1iop s ILE 99 CO 0.77 -0.47 1.23 -2.16 -1.23 0.00 0.00 174.94 173.07 1iop s PRO 100 N 1.54 2.68 0.40 2.79 0.04 -1.26 -4.77 135.00 136.42 1iop s PRO 100 Ca 0.03 1.87 0.17 0.00 0.04 0.00 0.00 61.00 63.11 1iop s PRO 100 Cb -0.23 -1.89 1.06 0.00 0.04 0.00 0.00 34.50 33.49 1iop s PRO 100 CO 0.05 -1.45 1.81 0.82 0.04 0.00 0.00 177.00 178.27 1iop h ILE 101 N 0.53 0.61 -0.98 0.56 1.08 -1.95 0.03 117.51 117.39 1iop h ILE 101 Ca -0.50 -0.15 0.19 0.00 -0.39 0.00 0.00 64.86 64.01 1iop h ILE 101 Cb 1.31 0.13 -0.11 0.00 -3.07 0.00 0.00 36.82 35.08 1iop h ILE 101 CO 0.53 0.08 0.58 0.50 -0.69 0.00 0.00 178.15 179.15 1iop h LYS 102 N 0.44 0.69 0.00 2.37 1.63 -1.91 0.15 116.57 119.94 1iop h LYS 102 Ca 0.54 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.21 1iop h LYS 102 Cb 1.31 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1iop h LYS 102 CO -0.25 0.46 -0.43 1.88 -3.45 0.00 0.00 179.45 177.66 1iop h TYR 103 N 0.71 0.00 0.00 1.91 -1.99 -1.33 -2.21 116.97 114.07 1iop h TYR 103 Ca 0.57 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.21 1iop h TYR 103 Cb 0.91 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 1iop h TYR 103 CO -0.02 0.43 -0.43 -0.07 -0.00 0.00 0.00 178.16 178.06 1iop h LEU 104 N 0.00 0.00 -0.19 3.88 3.38 -0.74 -1.80 115.31 119.84 1iop h LEU 104 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1iop h LEU 104 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1iop h LEU 104 CO 0.06 0.43 -0.85 -0.33 0.09 0.00 0.00 178.44 177.84 1iop h GLU 105 N 0.00 0.62 -0.50 1.13 5.08 -0.83 -2.43 114.58 117.64 1iop h GLU 105 Ca -0.00 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1iop h GLU 105 Cb 0.94 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1iop h GLU 105 CO 0.06 1.18 0.20 0.74 -1.00 0.00 0.00 179.01 180.18 1iop h PHE 106 N 0.40 0.77 -0.09 4.33 0.04 -1.13 -2.00 116.94 119.25 1iop h PHE 106 Ca -0.07 -0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 1iop h PHE 106 Cb 1.47 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 1iop h PHE 106 CO 0.07 0.64 -0.46 0.97 -0.60 0.00 0.00 178.31 178.94 1iop h ILE 107 N 0.67 1.33 -0.91 -0.55 2.10 -1.36 -1.86 117.51 116.94 1iop h ILE 107 Ca 0.17 -1.64 -0.01 0.00 1.08 0.00 0.00 64.86 64.46 1iop h ILE 107 Cb 0.20 1.77 -0.04 0.00 -1.09 0.00 0.00 36.82 37.66 1iop h ILE 107 CO -0.01 0.49 0.54 0.28 -1.08 0.00 0.00 178.15 178.36 1iop h SER 108 N 0.19 1.09 -0.32 2.19 0.02 -1.16 -0.05 113.55 115.52 1iop h SER 108 Ca 0.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1iop h SER 108 Cb 0.89 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1iop h SER 108 CO 0.07 0.85 0.12 -0.33 -1.14 0.00 0.00 176.83 176.40 1iop h GLU 109 N 1.25 0.48 -0.60 3.45 5.08 -1.07 -2.19 114.58 120.97 1iop h GLU 109 Ca 0.32 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1iop h GLU 109 Cb -0.04 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1iop h GLU 109 CO -0.06 0.49 0.31 0.00 -1.00 0.00 0.00 179.01 178.75 1iop h ALA 110 N 0.97 0.79 0.38 3.43 0.00 -0.66 -0.43 119.26 123.74 1iop h ALA 110 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1iop h ALA 110 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iop h ALA 110 CO -0.01 -0.03 -0.19 0.82 0.00 0.00 0.00 179.25 179.84 1iop h ILE 111 N 0.59 0.61 -0.78 0.00 2.04 -0.85 -1.78 117.51 117.33 1iop h ILE 111 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 1iop h ILE 111 Cb 0.19 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1iop h ILE 111 CO -0.19 0.00 0.45 0.40 0.00 0.00 0.00 178.15 178.81 1iop h ILE 112 N -0.53 0.95 -0.03 -0.67 2.04 -1.18 -1.17 117.51 116.92 1iop h ILE 112 Ca -0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1iop h ILE 112 Cb 0.41 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1iop h ILE 112 CO 0.08 0.14 0.02 -0.74 0.00 0.00 0.00 178.15 177.65 1iop h HIS 113 N 0.79 0.04 -0.60 1.37 2.76 -0.91 -1.19 115.15 117.41 1iop h HIS 113 Ca 0.36 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.52 1iop h HIS 113 Cb 0.28 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1iop h HIS 113 CO -0.06 0.11 0.31 0.28 -1.30 0.00 0.00 177.93 177.27 1iop h VAL 114 N -0.03 1.20 -0.80 5.26 2.07 -0.96 0.44 116.25 123.44 1iop h VAL 114 Ca 0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1iop h VAL 114 Cb 0.08 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1iop h VAL 114 CO -0.00 0.23 0.40 -0.07 0.02 0.00 0.00 177.57 178.15 1iop h LEU 115 N 0.82 1.02 -0.38 2.57 3.38 -1.11 0.25 115.31 121.85 1iop h LEU 115 Ca 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1iop h LEU 115 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1iop h LEU 115 CO -0.03 0.84 -0.06 -0.74 0.09 0.00 0.00 178.44 178.54 1iop h HIS 116 N 1.12 0.79 -0.24 1.13 2.76 -0.79 0.25 115.15 120.16 1iop h HIS 116 Ca 0.28 -0.16 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1iop h HIS 116 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1iop h HIS 116 CO 0.01 0.84 0.03 0.77 -1.30 0.00 0.00 177.93 178.28 1iop h SER 117 N 0.51 0.40 0.88 3.26 0.02 -0.38 -3.12 113.55 115.13 1iop h SER 117 Ca 0.10 -0.27 -0.23 0.00 -0.84 0.00 0.00 61.79 60.55 1iop h SER 117 Cb 0.56 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1iop h SER 117 CO 0.03 0.57 -1.17 0.03 -1.14 0.00 0.00 176.83 175.15 1iop h ARG 118 N 0.21 0.00 -1.64 3.45 3.08 -0.51 -3.41 114.38 115.56 1iop h ARG 118 Ca 0.07 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.62 1iop h ARG 118 Cb 0.35 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.99 1iop h ARG 118 CO 0.01 0.84 -0.95 0.72 -1.07 0.00 0.00 179.97 179.52 1iop n HIS 119 N -3.26 2.20 -0.18 3.04 8.25 0.87 -4.94 115.22 121.20 1iop n HIS 119 Ca -0.04 -3.37 -0.02 0.00 -0.26 0.00 0.00 57.72 54.03 1iop n HIS 119 Cb 0.96 -0.33 0.05 0.00 1.12 0.00 0.00 29.99 31.79 1iop n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1iop h PRO 120 N 2.88 0.02 -0.02 -0.41 0.11 -1.70 0.30 132.00 133.18 1iop h PRO 120 Ca 0.10 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1iop h PRO 120 Cb 0.92 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1iop h PRO 120 CO 0.67 0.01 0.03 0.78 -0.21 0.00 0.00 178.00 179.28 1iop h GLY 121 N 0.02 0.00 -0.03 -0.55 0.00 -1.92 -2.41 103.07 98.19 1iop h GLY 121 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1iop h GLY 121 CO -0.54 0.00 -0.39 1.22 0.00 0.00 0.00 176.54 176.83 1iop n ASP 122 N -3.61 0.45 -3.48 0.19 8.00 -0.27 -4.72 116.55 113.12 1iop n ASP 122 Ca -0.02 -0.73 -0.35 0.00 0.71 0.00 0.00 54.79 54.40 1iop n ASP 122 Cb 0.12 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 42.16 1iop n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1iop n PHE 123 N -1.14 3.17 -1.21 1.24 7.35 0.91 -4.82 117.46 122.97 1iop n PHE 123 Ca 0.02 -3.22 -0.11 0.00 -0.76 0.00 0.00 57.45 53.38 1iop n PHE 123 Cb 0.14 -0.91 0.08 0.00 0.35 0.00 0.00 39.48 39.14 1iop n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1iop n GLY 124 N 0.30 -1.51 0.20 7.13 0.00 -1.26 -4.68 105.19 105.39 1iop n GLY 124 Ca 0.36 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1iop n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iop h ALA 125 N -1.99 0.63 -0.56 4.61 0.00 -1.96 -0.52 119.26 119.48 1iop h ALA 125 Ca -0.15 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1iop h ALA 125 Cb 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1iop h ALA 125 CO 0.11 -0.19 0.12 -0.44 0.00 0.00 0.00 179.25 178.85 1iop h ASP 126 N 0.39 0.86 -0.49 0.00 3.32 -1.98 0.38 116.42 118.89 1iop h ASP 126 Ca 0.24 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1iop h ASP 126 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1iop h ASP 126 CO -0.23 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 1iop h ALA 127 N 1.01 0.66 -0.41 3.45 0.00 -1.81 -0.94 119.26 121.22 1iop h ALA 127 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1iop h ALA 127 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1iop h ALA 127 CO 0.00 0.46 -0.02 0.37 0.00 0.00 0.00 179.25 180.06 1iop h GLN 128 N 0.72 0.67 -0.36 0.00 4.15 -0.96 0.55 115.11 119.89 1iop h GLN 128 Ca 0.14 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1iop h GLN 128 Cb 0.51 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1iop h GLN 128 CO 0.02 0.71 0.04 0.78 -1.93 0.00 0.00 178.83 178.45 1iop h GLY 129 N 0.94 0.65 1.03 2.39 0.00 -0.60 0.10 103.07 107.58 1iop h GLY 129 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1iop h GLY 129 CO 0.02 0.42 0.17 0.00 0.00 0.00 0.00 176.54 177.14 1iop h ALA 130 N 0.89 0.83 -0.46 3.60 0.00 -0.80 -0.73 119.26 122.59 1iop h ALA 130 Ca 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1iop h ALA 130 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iop h ALA 130 CO 0.01 0.53 -0.02 1.98 0.00 0.00 0.00 179.25 181.75 1iop h MET 131 N 0.92 0.82 -0.70 0.00 -1.53 -0.70 -1.78 114.93 111.97 1iop h MET 131 Ca 0.20 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1iop h MET 131 Cb 0.34 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.28 1iop h MET 131 CO -0.00 0.89 0.43 -0.97 0.14 0.00 0.00 176.91 177.40 1iop h ASN 132 N 0.67 0.83 -0.53 1.39 -0.00 -0.60 -1.36 115.58 115.98 1iop h ASN 132 Ca 0.13 -0.05 0.04 0.00 -0.00 0.00 0.00 56.30 56.42 1iop h ASN 132 Cb 0.53 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 38.60 1iop h ASN 132 CO 0.03 0.64 0.27 0.11 -0.00 0.00 0.00 177.43 178.48 1iop h LYS 133 N 0.95 0.51 -0.30 6.67 1.79 -0.83 -0.74 116.57 124.63 1iop h LYS 133 Ca 0.25 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1iop h LYS 133 Cb -0.05 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 1iop h LYS 133 CO -0.05 0.34 0.05 0.00 -1.08 0.00 0.00 179.45 178.71 1iop h ALA 134 N 1.28 0.40 -0.12 3.86 0.00 -0.92 -2.01 119.26 121.75 1iop h ALA 134 Ca 0.23 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1iop h ALA 134 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1iop h ALA 134 CO -0.16 0.09 -0.24 -0.07 0.00 0.00 0.00 179.25 178.87 1iop h LEU 135 N 0.32 0.21 -0.41 0.00 3.38 -1.07 -1.70 115.31 116.04 1iop h LEU 135 Ca 0.09 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1iop h LEU 135 Cb 0.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1iop h LEU 135 CO 0.01 0.46 -0.31 -0.33 0.09 0.00 0.00 178.44 178.36 1iop h GLU 136 N 0.20 0.93 -0.28 1.13 5.08 -0.98 -1.21 114.58 119.45 1iop h GLU 136 Ca 0.03 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1iop h GLU 136 Cb 0.54 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1iop h GLU 136 CO 0.04 1.11 0.18 1.25 -1.00 0.00 0.00 179.01 180.59 1iop h LEU 137 N 0.76 0.30 -0.03 1.33 5.85 -1.01 0.79 115.31 123.30 1iop h LEU 137 Ca 0.08 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1iop h LEU 137 Cb 0.89 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1iop h LEU 137 CO 0.08 0.22 -0.19 0.15 -0.34 0.00 0.00 178.44 178.36 1iop h PHE 138 N 0.36 -0.49 -0.38 1.25 3.57 -1.16 -0.03 116.94 120.05 1iop h PHE 138 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1iop h PHE 138 Cb -0.03 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1iop h PHE 138 CO -0.06 -0.27 0.07 0.00 -2.23 0.00 0.00 178.31 175.82 1iop h ARG 139 N -0.29 0.58 0.08 1.11 3.08 -0.95 0.62 114.38 118.61 1iop h ARG 139 Ca 0.07 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1iop h ARG 139 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1iop h ARG 139 CO -0.20 0.55 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.99 1iop h LYS 140 N 0.56 -0.11 -0.36 0.04 1.63 -0.25 -0.82 116.57 117.27 1iop h LYS 140 Ca 0.13 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.85 1iop h LYS 140 Cb 0.25 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1iop h LYS 140 CO 0.00 0.19 -0.12 -0.44 -3.45 0.00 0.00 179.45 175.63 1iop h ASP 141 N -0.41 0.61 -0.08 4.20 3.32 -0.84 -2.14 116.42 121.08 1iop h ASP 141 Ca -0.01 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 1iop h ASP 141 Cb 0.35 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1iop h ASP 141 CO 0.02 0.76 -0.37 -0.29 -1.72 0.00 0.00 179.24 177.65 1iop h ILE 142 N 0.57 1.29 -0.32 0.35 6.09 -0.80 -2.54 117.51 122.15 1iop h ILE 142 Ca 0.10 -1.51 -0.11 0.00 -1.37 0.00 0.00 64.86 61.98 1iop h ILE 142 Cb 0.54 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1iop h ILE 142 CO 0.03 0.48 -0.23 0.00 -3.07 0.00 0.00 178.15 175.36 1iop h ALA 143 N 1.11 0.99 -0.49 0.18 0.00 -0.88 -1.11 119.26 119.06 1iop h ALA 143 Ca 0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1iop h ALA 143 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1iop h ALA 143 CO 0.07 0.60 0.04 0.00 0.00 0.00 0.00 179.25 179.96 1iop h ALA 144 N 1.19 0.65 -0.56 0.00 0.00 -1.22 -2.34 119.26 116.97 1iop h ALA 144 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1iop h ALA 144 Cb 0.70 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1iop h ALA 144 CO 0.05 0.41 0.14 0.87 0.00 0.00 0.00 179.25 180.72 1iop h LYS 145 N 0.69 0.86 -0.24 0.00 1.79 -1.22 -2.27 116.57 116.19 1iop h LYS 145 Ca 0.14 -0.18 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1iop h LYS 145 Cb 0.45 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1iop h LYS 145 CO 0.02 0.77 0.00 1.88 -1.08 0.00 0.00 179.45 181.04 1iop h TYR 146 N 0.83 -0.01 -0.09 -1.35 -1.99 -0.84 -1.48 116.97 112.04 1iop h TYR 146 Ca 0.18 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.95 1iop h TYR 146 Cb 0.30 0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1iop h TYR 146 CO 0.02 -0.03 -0.02 0.87 -0.00 0.00 0.00 178.16 179.00 1iop h LYS 147 N 0.08 0.00 -0.41 4.88 1.79 -0.96 -0.71 116.57 121.25 1iop h LYS 147 Ca 0.11 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1iop h LYS 147 Cb 0.14 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1iop h LYS 147 CO -0.19 0.00 0.28 0.93 -1.08 0.00 0.00 179.45 179.39 1iop h GLU 148 N 0.00 0.23 -0.01 3.15 5.08 -1.15 -1.48 114.58 120.40 1iop h GLU 148 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iop h GLU 148 Cb 0.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iop h GLU 148 CO -0.09 0.15 -0.11 1.28 -1.00 0.00 0.00 179.01 179.24 1iop n LEU 149 N -4.47 0.91 0.00 1.33 4.77 -0.58 -4.94 117.00 114.01 1iop n LEU 149 Ca 0.06 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1iop n LEU 149 Cb 0.31 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1iop n LEU 149 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1iop n GLY 150 N 1.24 0.67 0.14 -0.72 0.00 -0.56 -4.98 105.19 100.98 1iop n GLY 150 Ca 0.16 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1iop n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iop n TYR 151 N -2.55 0.00 0.00 1.61 9.36 -0.32 -5.01 117.16 120.24 1iop n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1iop n TYR 151 Cb 0.00 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 37.77 1iop n TYR 151 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1iop n GLN 152 N -3.43 0.00 0.00 2.98 3.00 -1.10 -4.93 117.38 113.91 1iop n GLN 152 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1iop n GLN 152 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.18 1iop n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47